#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 3.64 -0.10 12.58 2.01 -1.26 -1.72 115.64 130.79 2jwu s THR 2 Ca 0.00 0.97 -0.06 0.00 0.31 0.00 0.00 61.69 62.91 2jwu s THR 2 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2jwu s THR 2 CO 0.00 -0.03 0.13 -0.31 -0.69 0.00 0.00 174.62 173.72 2jwu s TYR 3 N 2.87 3.54 -0.09 4.92 2.02 0.36 -4.84 117.35 126.12 2jwu s TYR 3 Ca 0.66 0.47 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 2jwu s TYR 3 Cb -0.32 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 2jwu s TYR 3 CO 0.27 0.70 -0.20 0.21 -1.57 0.00 0.00 175.55 174.95 2jwu s LYS 4 N -1.13 2.96 -0.04 -0.62 2.20 -1.00 0.11 119.74 122.22 2jwu s LYS 4 Ca 0.16 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 2jwu s LYS 4 Cb -0.12 -2.36 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 2jwu s LYS 4 CO 0.06 0.28 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.99 2jwu s LEU 5 N 0.11 1.92 -0.03 5.43 2.96 0.01 0.50 118.68 129.58 2jwu s LEU 5 Ca -0.10 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2jwu s LEU 5 Cb -0.16 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.60 2jwu s LEU 5 CO 0.06 0.15 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.68 2jwu s ILE 6 N 0.01 0.52 -0.04 6.68 2.07 -0.16 -0.52 121.20 129.76 2jwu s ILE 6 Ca -0.03 -0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 2jwu s ILE 6 Cb -0.11 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.98 2jwu s ILE 6 CO 0.02 0.19 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.35 2jwu s LEU 7 N 0.48 1.79 -0.22 8.50 1.02 0.30 -1.78 118.68 128.77 2jwu s LEU 7 Ca -0.06 -0.28 -0.02 0.00 0.02 0.00 0.00 54.13 53.78 2jwu s LEU 7 Cb -0.10 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.32 2jwu s LEU 7 CO 0.00 0.09 -0.08 0.20 0.02 0.00 0.00 176.35 176.58 2jwu s ASN 8 N 0.28 4.03 0.53 2.29 -0.87 -1.00 -1.25 114.94 118.95 2jwu s ASN 8 Ca -0.07 -0.54 0.08 0.00 -1.57 0.00 0.00 52.86 50.77 2jwu s ASN 8 Cb -0.12 -1.67 0.08 0.00 -0.02 0.00 0.00 41.25 39.53 2jwu s ASN 8 CO 0.02 -0.04 0.68 0.18 -2.57 0.00 0.00 177.10 175.37 2jwu n LEU 9 N 4.74 0.00 -2.50 0.60 4.77 -0.91 -1.87 117.00 121.83 2jwu n LEU 9 Ca -0.19 -2.36 -0.28 0.00 -0.03 0.00 0.00 56.01 53.16 2jwu n LEU 9 Cb 0.50 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2jwu n LEU 9 CO 0.28 -0.67 1.56 1.17 -1.33 0.00 0.00 177.39 178.40 2jwu n LYS 10 N -2.08 2.41 0.00 3.23 4.81 -1.26 -4.05 118.16 121.21 2jwu n LYS 10 Ca 0.12 -2.41 0.00 0.00 -0.87 0.00 0.00 58.31 55.15 2jwu n LYS 10 Cb 0.56 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.47 2jwu n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jwu n GLN 11 N 0.73 0.00 -3.69 1.64 10.64 -1.26 -5.15 117.38 120.29 2jwu n GLN 11 Ca 0.49 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.51 2jwu n GLN 11 Cb 0.53 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.83 2jwu n GLN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jwu s ALA 12 N -0.99 -1.16 -0.20 2.61 0.00 -1.26 -5.15 121.76 115.61 2jwu s ALA 12 Ca 0.00 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 2jwu s ALA 12 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2jwu s ALA 12 CO 0.00 -0.27 -0.04 0.15 0.00 0.00 0.00 175.76 175.60 2jwu s LYS 13 N -0.73 3.49 -0.03 0.00 1.02 -1.26 -2.14 119.74 120.09 2jwu s LYS 13 Ca -0.08 -0.59 0.07 0.00 0.02 0.00 0.00 55.97 55.39 2jwu s LYS 13 Cb -0.03 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 2jwu s LYS 13 CO 0.04 -0.03 -0.24 -1.21 -0.92 0.00 0.00 175.35 172.99 2jwu s GLU 14 N 1.07 2.11 -0.04 1.68 2.02 -0.38 -5.01 118.70 120.15 2jwu s GLU 14 Ca 0.01 -0.87 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 2jwu s GLU 14 Cb -0.15 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.13 2jwu s GLU 14 CO 0.00 0.48 0.15 -1.83 0.02 0.00 0.00 175.26 174.08 2jwu s GLU 15 N -0.45 0.25 0.19 1.61 -1.05 -1.26 -0.54 118.70 117.45 2jwu s GLU 15 Ca 0.06 0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 54.90 2jwu s GLU 15 Cb -0.11 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.66 2jwu s GLU 15 CO 0.00 -0.04 0.15 0.00 0.95 0.00 0.00 175.26 176.32 2jwu s ALA 16 N -0.30 0.98 -0.05 -0.84 0.00 0.32 -4.99 121.76 116.89 2jwu s ALA 16 Ca -0.04 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.38 2jwu s ALA 16 Cb -0.03 1.28 -0.00 0.00 0.00 0.00 0.00 23.12 24.37 2jwu s ALA 16 CO 0.01 -0.60 -0.16 -1.50 0.00 0.00 0.00 175.76 173.51 2jwu s ILE 17 N -4.13 1.35 0.38 0.00 1.10 -1.26 -0.81 121.20 117.83 2jwu s ILE 17 Ca 0.35 -0.66 0.04 0.00 -0.51 0.00 0.00 60.65 59.87 2jwu s ILE 17 Cb 0.06 -1.17 -0.05 0.00 0.15 0.00 0.00 42.46 41.45 2jwu s ILE 17 CO 0.10 0.39 0.06 -0.54 -2.11 0.00 0.00 174.94 172.84 2jwu s LYS 18 N 0.15 1.84 -0.18 3.50 -0.14 0.31 -4.97 119.74 120.25 2jwu s LYS 18 Ca -0.06 -2.08 -0.01 0.00 -1.36 0.00 0.00 55.97 52.46 2jwu s LYS 18 Cb -0.12 -1.01 -0.00 0.00 -1.68 0.00 0.00 37.83 35.02 2jwu s LYS 18 CO 0.02 -0.27 -0.12 -1.83 -0.76 0.00 0.00 175.35 172.40 2jwu s GLU 19 N -3.82 3.26 0.12 1.68 -1.05 -1.26 0.13 118.70 117.77 2jwu s GLU 19 Ca 0.29 -0.71 0.02 0.00 -0.15 0.00 0.00 54.97 54.42 2jwu s GLU 19 Cb 0.06 -2.74 -0.01 0.00 -0.44 0.00 0.00 34.13 31.00 2jwu s GLU 19 CO 0.14 -0.05 0.12 1.28 0.95 0.00 0.00 175.26 177.70 2jwu n LEU 20 N 4.29 0.00 -0.11 1.83 4.77 -0.70 -4.88 117.00 122.20 2jwu n LEU 20 Ca -0.19 -1.09 -0.22 0.00 -0.03 0.00 0.00 56.01 54.48 2jwu n LEU 20 Cb 0.51 0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 42.20 2jwu n LEU 20 CO 0.29 -0.20 -1.25 1.33 -1.33 0.00 0.00 177.39 176.23 2jwu n VAL 21 N -0.22 1.22 -4.14 4.08 0.24 -1.26 0.95 118.33 119.20 2jwu n VAL 21 Ca 0.02 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.89 2jwu n VAL 21 Cb 0.21 -1.67 -0.03 0.00 -1.47 0.00 0.00 33.84 30.89 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2jwu n ASP 22 N -3.78 0.13 0.06 -1.34 2.03 -1.26 -3.41 116.55 108.98 2jwu n ASP 22 Ca -0.42 -1.87 -0.10 0.00 0.52 0.00 0.00 54.79 52.91 2jwu n ASP 22 Cb 0.83 0.59 -0.13 0.00 -0.72 0.00 0.00 41.12 41.69 2jwu n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwu h ALA 23 N 1.38 0.32 -0.42 -1.67 0.00 -1.98 -2.43 119.26 114.46 2jwu h ALA 23 Ca -0.10 -0.98 0.07 0.00 0.00 0.00 0.00 54.91 53.89 2jwu h ALA 23 Cb 0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2jwu h ALA 23 CO 0.16 1.20 0.09 0.00 0.00 0.00 0.00 179.25 180.70 2jwu h ALA 24 N 0.84 0.46 -0.23 0.00 0.00 -1.98 0.90 119.26 119.25 2jwu h ALA 24 Ca -0.09 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2jwu h ALA 24 Cb 1.87 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2jwu h ALA 24 CO 0.15 -0.31 -0.31 0.00 0.00 0.00 0.00 179.25 178.77 2jwu h THR 25 N 0.22 1.32 0.07 0.00 1.03 -1.99 -2.79 112.91 110.77 2jwu h THR 25 Ca 0.20 -1.51 0.02 0.00 -0.01 0.00 0.00 66.41 65.12 2jwu h THR 25 Cb 0.25 1.75 -0.05 0.00 -1.07 0.00 0.00 68.15 69.03 2jwu h THR 25 CO -0.26 0.47 -0.38 0.00 -0.01 0.00 0.00 175.52 175.34 2jwu h ALA 26 N 0.64 -0.63 -1.12 0.00 0.00 -0.82 0.13 119.26 117.46 2jwu h ALA 26 Ca 0.03 -0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.21 2jwu h ALA 26 Cb 0.89 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 2jwu h ALA 26 CO 0.07 -0.92 0.72 1.49 0.00 0.00 0.00 179.25 180.61 2jwu h GLU 27 N -0.58 0.28 0.12 0.00 4.81 0.81 1.90 114.58 121.91 2jwu h GLU 27 Ca 0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jwu h GLU 27 Cb 0.63 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2jwu h GLU 27 CO -0.25 0.19 -0.06 -0.22 -0.73 0.00 0.00 179.01 177.94 2jwu h LYS 28 N 0.29 -0.15 0.45 1.92 3.64 -0.55 -1.28 116.57 120.89 2jwu h LYS 28 Ca 0.67 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.04 2jwu h LYS 28 Cb 1.85 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2jwu h LYS 28 CO -0.36 0.23 -0.21 -0.92 -2.27 0.00 0.00 179.45 175.92 2jwu h TYR 29 N -0.57 -0.55 -0.45 1.91 5.03 0.10 -2.70 116.97 119.73 2jwu h TYR 29 Ca -0.02 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.37 2jwu h TYR 29 Cb 0.45 0.18 -0.09 0.00 1.55 0.00 0.00 36.73 38.83 2jwu h TYR 29 CO 0.06 -0.33 -0.11 0.74 -1.32 0.00 0.00 178.16 177.20 2jwu h PHE 30 N -1.15 -0.24 -0.05 -3.82 0.04 0.27 0.11 116.94 112.10 2jwu h PHE 30 Ca -0.06 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2jwu h PHE 30 Cb 0.48 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2jwu h PHE 30 CO 0.00 -0.20 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.20 2jwu h LYS 31 N -0.00 0.07 0.00 1.51 3.64 -1.34 -1.15 116.57 119.30 2jwu h LYS 31 Ca 0.22 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 2jwu h LYS 31 Cb 0.33 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2jwu h LYS 31 CO -0.47 0.17 -0.53 -0.07 -2.27 0.00 0.00 179.45 176.28 2jwu h LEU 32 N 0.07 0.00 0.17 5.20 4.07 -0.51 -2.56 115.31 121.76 2jwu h LEU 32 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2jwu h LEU 32 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2jwu h LEU 32 CO 0.01 0.53 -0.08 0.22 -1.08 0.00 0.00 178.44 178.04 2jwu h TYR 33 N 0.00 -0.21 -0.04 1.13 5.03 0.08 -2.55 116.97 120.41 2jwu h TYR 33 Ca -0.01 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.31 2jwu h TYR 33 Cb 1.00 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 2jwu h TYR 33 CO 0.00 0.12 0.11 0.00 -1.32 0.00 0.00 178.16 177.07 2jwu h ALA 34 N -0.64 1.30 0.13 1.82 0.00 -1.41 0.96 119.26 121.42 2jwu h ALA 34 Ca -0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2jwu h ALA 34 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jwu h ALA 34 CO 0.04 -0.13 -1.52 -0.91 0.00 0.00 0.00 179.25 176.73 2jwu h ASN 35 N 0.00 0.44 0.66 0.00 4.21 -1.49 -2.58 115.58 116.82 2jwu h ASN 35 Ca 0.02 -0.59 -0.09 0.00 1.21 0.00 0.00 56.30 56.85 2jwu h ASN 35 Cb 0.24 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 2jwu h ASN 35 CO -0.00 1.49 -1.41 0.00 -1.29 0.00 0.00 177.43 176.21 2jwu n ALA 36 N -2.67 2.28 -0.01 -0.83 0.00 -0.51 -4.68 120.51 114.10 2jwu n ALA 36 Ca -0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2jwu n ALA 36 Cb 1.05 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.69 0.03 0.00 0.00 4.01 0.32 -5.07 118.16 114.75 2jwu n LYS 37 Ca -0.06 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 2jwu n LYS 37 Cb 0.70 -0.55 0.00 0.00 -0.51 0.00 0.00 35.03 34.67 2jwu n LYS 37 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2jwu n THR 38 N -2.61 0.00 -4.29 -0.18 -1.04 -0.99 -5.02 114.28 100.15 2jwu n THR 38 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 2jwu n THR 38 Cb 0.03 -0.54 -0.08 0.00 -1.82 0.00 0.00 70.33 67.91 2jwu n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jwu s VAL 39 N 2.40 2.41 -0.40 12.58 1.01 -1.13 -4.24 120.40 133.03 2jwu s VAL 39 Ca 0.00 -1.85 -0.17 0.00 0.00 0.00 0.00 61.98 59.96 2jwu s VAL 39 Cb 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2jwu s VAL 39 CO 0.00 -0.09 0.42 -1.83 0.00 0.00 0.00 175.10 173.60 2jwu s GLU 40 N -3.80 3.24 0.00 2.72 -1.05 -1.26 -4.83 118.70 113.71 2jwu s GLU 40 Ca 0.37 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2jwu s GLU 40 Cb 0.03 -3.92 0.00 0.00 -0.44 0.00 0.00 34.13 29.80 2jwu s GLU 40 CO 0.21 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 176.07 2jwu n GLY 41 N 5.06 5.04 3.55 -3.83 0.00 -1.26 -4.92 105.19 108.84 2jwu n GLY 41 Ca -0.08 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 3.74 3.55 0.47 1.61 -7.23 0.35 -4.75 120.40 118.13 2jwu s VAL 42 Ca 0.00 0.33 -0.21 0.00 -1.81 0.00 0.00 61.98 60.29 2jwu s VAL 42 Cb 0.00 -4.41 -0.08 0.00 0.56 0.00 0.00 36.38 32.44 2jwu s VAL 42 CO 0.00 -1.35 1.05 0.26 -0.31 0.00 0.00 175.10 174.75 2jwu s TRP 43 N 7.36 3.02 0.25 2.82 0.52 -1.26 -2.31 118.94 129.33 2jwu s TRP 43 Ca 0.52 1.59 -0.18 0.00 0.02 0.00 0.00 56.10 58.04 2jwu s TRP 43 Cb -0.10 -3.11 0.02 0.00 -1.15 0.00 0.00 33.47 29.13 2jwu s TRP 43 CO 0.18 -0.87 0.60 0.99 0.02 0.00 0.00 176.95 177.87 2jwu s THR 44 N -1.89 0.01 0.01 2.01 2.01 0.16 -4.92 115.64 113.02 2jwu s THR 44 Ca 0.66 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2jwu s THR 44 Cb -0.18 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 2jwu s THR 44 CO 0.22 -0.03 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.64 2jwu s TYR 45 N -3.93 0.15 -0.12 4.92 5.04 -1.26 -1.40 117.35 120.75 2jwu s TYR 45 Ca 0.14 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 2jwu s TYR 45 Cb -0.03 -0.11 -0.01 0.00 0.35 0.00 0.00 41.96 42.16 2jwu s TYR 45 CO 0.05 -0.11 -0.17 0.15 -1.34 0.00 0.00 175.55 174.13 2jwu s LYS 46 N -0.84 3.26 -0.13 4.97 -0.14 0.65 -4.93 119.74 122.57 2jwu s LYS 46 Ca -0.09 -0.76 0.10 0.00 -1.36 0.00 0.00 55.97 53.86 2jwu s LYS 46 Cb -0.06 -2.52 0.53 0.00 -1.68 0.00 0.00 37.83 34.10 2jwu s LYS 46 CO -0.01 0.19 1.33 -0.25 -0.76 0.00 0.00 175.35 175.85 2jwu n ASP 47 N 3.57 3.92 0.08 2.83 9.92 -1.26 -2.43 116.55 133.18 2jwu n ASP 47 Ca -0.18 -2.53 -0.10 0.00 -0.53 0.00 0.00 54.79 51.45 2jwu n ASP 47 Cb 0.53 -0.58 -0.12 0.00 -0.64 0.00 0.00 41.12 40.31 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jwu h GLU 48 N 2.68 0.11 0.00 -1.24 4.39 -1.95 -3.42 114.58 115.15 2jwu h GLU 48 Ca 0.00 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 2jwu h GLU 48 Cb 1.36 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.03 2jwu h GLU 48 CO 0.28 1.07 -0.10 0.25 -1.16 0.00 0.00 179.01 179.35 2jwu n THR 49 N -3.44 0.00 -2.87 1.13 -2.24 -1.26 -5.05 114.28 100.54 2jwu n THR 49 Ca -0.03 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 2jwu n THR 49 Cb 0.96 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.30 -2.34 -3.91 -0.78 4.01 -1.16 -4.69 118.16 108.98 2jwu n LYS 50 Ca -0.08 2.09 -0.21 0.00 -0.51 0.00 0.00 58.31 59.60 2jwu n LYS 50 Cb 0.53 -5.60 -0.17 0.00 -0.51 0.00 0.00 35.03 29.28 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 -2.60 0.38 -0.20 -0.18 2.01 -1.02 -2.39 115.64 111.65 2jwu s THR 51 Ca 0.24 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 2jwu s THR 51 Cb -0.07 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 2jwu s THR 51 CO 0.77 0.23 0.57 -0.36 -0.69 0.00 0.00 174.62 175.14 2jwu s PHE 52 N 1.51 3.36 -0.18 4.92 0.40 0.18 -0.25 117.98 127.92 2jwu s PHE 52 Ca -0.02 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.15 2jwu s PHE 52 Cb -0.13 -2.73 0.03 0.00 0.51 0.00 0.00 43.02 40.70 2jwu s PHE 52 CO -0.03 -0.15 -0.17 -0.08 0.70 0.00 0.00 175.22 175.50 2jwu s THR 53 N 1.81 1.89 0.00 0.64 -1.32 -0.49 -0.99 115.64 117.17 2jwu s THR 53 Ca 0.26 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 2jwu s THR 53 Cb -0.16 -1.77 -0.00 0.00 -1.51 0.00 0.00 72.50 69.06 2jwu s THR 53 CO 0.10 0.44 -0.02 0.54 -2.21 0.00 0.00 174.62 173.46 2jwu s VAL 54 N 1.34 0.17 0.03 5.08 0.11 -0.74 0.36 120.40 126.76 2jwu s VAL 54 Ca 0.03 -0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2jwu s VAL 54 Cb -0.14 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2jwu s VAL 54 CO -0.11 0.02 -0.01 0.28 -3.33 0.00 0.00 175.10 171.95 2jwu s THR 55 N -0.13 0.15 -2.37 5.04 -1.32 -0.98 -2.38 115.64 113.64 2jwu s THR 55 Ca -0.00 -1.20 0.29 0.00 -1.21 0.00 0.00 61.69 59.57 2jwu s THR 55 Cb -0.01 -0.74 0.64 0.00 -1.51 0.00 0.00 72.50 70.88 2jwu s THR 55 CO -0.00 -0.66 1.87 -0.62 -2.21 0.00 0.00 174.62 173.00