#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 2.60 -0.16 12.58 2.01 -1.26 -1.74 115.64 129.67 2jwu s THR 2 Ca 0.00 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.95 2jwu s THR 2 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2jwu s THR 2 CO 0.00 0.32 0.10 -0.31 -0.69 0.00 0.00 174.62 174.05 2jwu s TYR 3 N 1.31 3.42 -0.04 4.92 2.02 0.36 -4.85 117.35 124.50 2jwu s TYR 3 Ca 0.02 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 57.07 2jwu s TYR 3 Cb -0.15 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2jwu s TYR 3 CO -0.07 0.44 -0.09 0.21 -1.57 0.00 0.00 175.55 174.46 2jwu s LYS 4 N -0.26 2.60 0.01 -0.62 2.20 -1.00 0.99 119.74 123.65 2jwu s LYS 4 Ca 0.10 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2jwu s LYS 4 Cb -0.12 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2jwu s LYS 4 CO 0.01 0.63 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.42 2jwu s LEU 5 N -0.99 2.08 -0.07 5.43 2.96 -0.48 -0.65 118.68 126.95 2jwu s LEU 5 Ca 0.14 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2jwu s LEU 5 Cb -0.11 -0.12 0.02 0.00 0.50 0.00 0.00 46.19 46.48 2jwu s LEU 5 CO 0.03 -0.05 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.41 2jwu s ILE 6 N -0.46 0.99 -0.11 6.68 2.07 -0.98 -1.34 121.20 128.05 2jwu s ILE 6 Ca -0.03 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 2jwu s ILE 6 Cb -0.04 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2jwu s ILE 6 CO -0.00 0.33 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.43 2jwu s LEU 7 N 0.93 1.80 -0.55 8.50 1.02 0.12 -1.33 118.68 129.16 2jwu s LEU 7 Ca -0.10 -0.46 -0.07 0.00 0.02 0.00 0.00 54.13 53.53 2jwu s LEU 7 Cb -0.15 -1.15 0.14 0.00 0.02 0.00 0.00 46.19 45.05 2jwu s LEU 7 CO 0.01 0.03 0.40 0.20 0.02 0.00 0.00 176.35 177.01 2jwu s ASN 8 N 0.92 5.60 0.81 2.29 -0.87 -1.03 0.29 114.94 122.94 2jwu s ASN 8 Ca -0.08 -2.32 -0.11 0.00 -1.57 0.00 0.00 52.86 48.79 2jwu s ASN 8 Cb -0.15 -1.95 0.11 0.00 -0.02 0.00 0.00 41.25 39.23 2jwu s ASN 8 CO -0.01 -0.55 1.15 -0.76 -2.57 0.00 0.00 177.10 174.36 2jwu s LEU 9 N 0.74 2.68 0.31 0.60 1.43 -0.63 -1.89 118.68 121.91 2jwu s LEU 9 Ca 0.11 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2jwu s LEU 9 Cb -0.22 -2.91 0.51 0.00 0.03 0.00 0.00 46.19 43.60 2jwu s LEU 9 CO -0.03 -2.01 1.77 0.11 0.23 0.00 0.00 176.35 176.42 2jwu h LYS 10 N -1.03 0.41 0.11 1.70 6.56 -1.99 -3.16 116.57 119.17 2jwu h LYS 10 Ca -0.45 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.00 2jwu h LYS 10 Cb 1.30 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2jwu h LYS 10 CO 0.56 0.61 -0.05 0.37 -2.06 0.00 0.00 179.45 178.87 2jwu h GLN 11 N 0.37 -0.15 -2.38 3.15 5.75 -1.99 -3.49 115.11 116.38 2jwu h GLN 11 Ca 0.06 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.75 2jwu h GLN 11 Cb 0.59 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.11 2jwu h GLN 11 CO 0.04 0.28 0.54 0.00 -2.65 0.00 0.00 178.83 177.04 2jwu s ALA 12 N -4.33 -1.64 -0.20 3.38 0.00 -1.19 -5.14 121.76 112.63 2jwu s ALA 12 Ca -0.15 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 2jwu s ALA 12 Cb 0.02 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 2jwu s ALA 12 CO 0.60 -1.05 0.62 0.15 0.00 0.00 0.00 175.76 176.08 2jwu s LYS 13 N -2.75 4.21 -0.07 0.00 1.02 -1.26 -1.61 119.74 119.27 2jwu s LYS 13 Ca 0.16 0.60 0.05 0.00 0.02 0.00 0.00 55.97 56.80 2jwu s LYS 13 Cb -0.02 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 2jwu s LYS 13 CO 0.03 -0.24 -0.23 -1.21 -0.92 0.00 0.00 175.35 172.78 2jwu s GLU 14 N 1.92 2.74 0.13 1.68 0.41 0.15 -4.97 118.70 120.76 2jwu s GLU 14 Ca 0.28 -0.87 0.07 0.00 -0.41 0.00 0.00 54.97 54.04 2jwu s GLU 14 Cb -0.16 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.91 2jwu s GLU 14 CO 0.10 0.33 -0.15 -1.21 -0.49 0.00 0.00 175.26 173.83 2jwu s GLU 15 N -0.02 1.10 0.21 1.61 2.02 -1.26 0.11 118.70 122.47 2jwu s GLU 15 Ca -0.08 -1.29 -0.16 0.00 0.02 0.00 0.00 54.97 53.46 2jwu s GLU 15 Cb -0.15 -1.04 0.02 0.00 0.10 0.00 0.00 34.13 33.06 2jwu s GLU 15 CO 0.05 0.21 0.52 0.00 0.02 0.00 0.00 175.26 176.06 2jwu s ALA 16 N -2.09 -0.79 -0.05 5.21 0.00 -0.45 -5.00 121.76 118.60 2jwu s ALA 16 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 2jwu s ALA 16 Cb -0.05 0.89 0.03 0.00 0.00 0.00 0.00 23.12 23.98 2jwu s ALA 16 CO 0.04 -0.82 -0.01 -1.50 0.00 0.00 0.00 175.76 173.46 2jwu s ILE 17 N -3.91 0.36 -0.03 0.00 1.10 -1.26 -1.39 121.20 116.08 2jwu s ILE 17 Ca 0.12 0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.34 2jwu s ILE 17 Cb -0.01 -0.46 -0.00 0.00 0.15 0.00 0.00 42.46 42.14 2jwu s ILE 17 CO 0.00 0.21 -0.14 -0.54 -2.11 0.00 0.00 174.94 172.37 2jwu s LYS 18 N 1.36 1.34 -0.02 3.50 -0.14 0.28 -4.96 119.74 121.10 2jwu s LYS 18 Ca -0.04 -0.48 -0.19 0.00 -1.36 0.00 0.00 55.97 53.89 2jwu s LYS 18 Cb -0.13 -1.22 -0.05 0.00 -1.68 0.00 0.00 37.83 34.74 2jwu s LYS 18 CO -0.02 0.22 0.55 -1.21 -0.76 0.00 0.00 175.35 174.12 2jwu s GLU 19 N -0.00 4.27 0.30 1.68 2.02 -1.26 0.14 118.70 125.84 2jwu s GLU 19 Ca -0.01 0.64 0.06 0.00 0.02 0.00 0.00 54.97 55.69 2jwu s GLU 19 Cb -0.09 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 2jwu s GLU 19 CO 0.01 0.38 0.23 1.28 0.02 0.00 0.00 175.26 177.18 2jwu n LEU 20 N 2.76 0.00 -0.07 1.80 7.99 -0.71 -4.86 117.00 123.92 2jwu n LEU 20 Ca -0.08 -2.77 -0.22 0.00 -0.01 0.00 0.00 56.01 52.93 2jwu n LEU 20 Cb 0.51 1.40 -0.12 0.00 -0.11 0.00 0.00 43.42 45.10 2jwu n LEU 20 CO 0.43 -0.46 -0.72 1.33 -1.51 0.00 0.00 177.39 176.46 2jwu n VAL 21 N -0.58 1.63 -4.01 4.08 0.24 -1.26 0.99 118.33 119.41 2jwu n VAL 21 Ca 0.05 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.34 62.02 2jwu n VAL 21 Cb 0.53 -1.90 -0.01 0.00 -1.47 0.00 0.00 33.84 30.99 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 -4.03 -0.13 -0.02 -1.34 2.03 -1.26 -4.53 116.55 107.26 2jwu n ASP 22 Ca -0.34 -1.37 -0.20 0.00 0.52 0.00 0.00 54.79 53.39 2jwu n ASP 22 Cb 0.84 0.30 -0.13 0.00 -0.72 0.00 0.00 41.12 41.41 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 1.22 0.15 -0.68 -1.67 0.00 -1.97 -2.46 119.26 113.85 2jwu h ALA 23 Ca -0.04 -0.99 0.14 0.00 0.00 0.00 0.00 54.91 54.01 2jwu h ALA 23 Cb 0.21 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 2jwu h ALA 23 CO 0.06 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.80 2jwu h ALA 24 N -0.12 0.48 -0.33 0.00 0.00 -1.99 0.87 119.26 118.17 2jwu h ALA 24 Ca -0.25 0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2jwu h ALA 24 Cb 1.55 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 2jwu h ALA 24 CO 0.00 -0.42 -0.46 1.15 0.00 0.00 0.00 179.25 179.52 2jwu h THR 25 N 0.01 1.27 -0.16 0.00 2.02 -2.00 -2.79 112.91 111.27 2jwu h THR 25 Ca 0.33 -1.64 0.05 0.00 0.77 0.00 0.00 66.41 65.92 2jwu h THR 25 Cb 0.51 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 2jwu h THR 25 CO -0.69 0.54 -0.28 0.00 0.37 0.00 0.00 175.52 175.47 2jwu h ALA 26 N 0.72 -0.26 -0.90 6.16 0.00 0.02 0.42 119.26 125.42 2jwu h ALA 26 Ca 0.04 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.21 2jwu h ALA 26 Cb 1.06 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2jwu h ALA 26 CO 0.11 -0.73 0.61 0.93 0.00 0.00 0.00 179.25 180.16 2jwu h GLU 27 N -0.33 0.30 -0.09 0.00 5.08 0.60 1.75 114.58 121.90 2jwu h GLU 27 Ca 0.11 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2jwu h GLU 27 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jwu h GLU 27 CO -0.35 0.20 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.45 2jwu h LYS 28 N 0.31 0.28 0.24 2.33 3.64 -0.06 -1.83 116.57 121.48 2jwu h LYS 28 Ca 0.47 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2jwu h LYS 28 Cb 1.31 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2jwu h LYS 28 CO -0.15 0.78 -0.12 -0.92 -2.27 0.00 0.00 179.45 176.78 2jwu h TYR 29 N -0.18 -0.30 -0.98 1.91 5.03 0.14 -2.65 116.97 119.94 2jwu h TYR 29 Ca 0.00 -0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.49 2jwu h TYR 29 Cb 0.77 0.10 -0.09 0.00 1.55 0.00 0.00 36.73 39.06 2jwu h TYR 29 CO 0.11 -0.09 0.61 0.74 -1.32 0.00 0.00 178.16 178.21 2jwu h PHE 30 N -1.05 0.94 -0.28 -3.82 0.04 0.24 0.94 116.94 113.95 2jwu h PHE 30 Ca -0.03 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 2jwu h PHE 30 Cb 0.34 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2jwu h PHE 30 CO 0.02 0.24 -0.44 -0.22 -0.60 0.00 0.00 178.31 177.31 2jwu h LYS 31 N 0.70 0.71 0.00 1.51 3.64 -1.43 -1.84 116.57 119.87 2jwu h LYS 31 Ca 0.54 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2jwu h LYS 31 Cb 0.92 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2jwu h LYS 31 CO -0.31 1.01 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.65 2jwu h LEU 32 N 0.57 0.00 0.00 5.20 4.07 -0.50 -0.65 115.31 124.01 2jwu h LEU 32 Ca 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2jwu h LEU 32 Cb 0.99 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.73 2jwu h LEU 32 CO 0.09 0.16 -0.02 0.22 -1.08 0.00 0.00 178.44 177.81 2jwu h TYR 33 N 0.00 0.00 -0.03 1.13 5.03 -0.86 -2.45 116.97 119.79 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 0.45 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.73 2jwu h TYR 33 CO 0.00 0.27 0.02 0.00 -1.32 0.00 0.00 178.16 177.14 2jwu h ALA 34 N -0.74 1.93 0.00 1.82 0.00 -1.32 1.00 119.26 121.95 2jwu h ALA 34 Ca -0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2jwu h ALA 34 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2jwu h ALA 34 CO -0.00 -0.04 -1.04 -0.91 0.00 0.00 0.00 179.25 177.26 2jwu h ASN 35 N 0.00 0.00 0.00 0.00 2.35 -1.23 -3.07 115.58 113.62 2jwu h ASN 35 Ca 0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2jwu h ASN 35 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2jwu h ASN 35 CO -0.00 0.92 -0.93 0.00 -1.65 0.00 0.00 177.43 175.76 2jwu n ALA 36 N -2.36 0.66 0.40 -0.83 0.00 -0.56 -4.63 120.51 113.19 2jwu n ALA 36 Ca -0.02 -0.56 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 2jwu n ALA 36 Cb 0.92 -0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.07 0.00 0.00 6.56 0.80 -3.46 116.57 118.39 2jwu h LYS 37 Ca -0.14 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2jwu h LYS 37 Cb 0.87 0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 2jwu h LYS 37 CO -0.08 -0.71 0.00 0.25 -2.06 0.00 0.00 179.45 176.84 2jwu n THR 38 N -5.30 0.00 -3.91 -0.16 -2.24 -1.16 -5.06 114.28 96.45 2jwu n THR 38 Ca -0.14 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 2jwu n THR 38 Cb 0.46 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 2jwu n THR 38 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jwu s VAL 39 N 1.66 5.04 -0.30 2.28 1.01 -1.21 -4.30 120.40 124.58 2jwu s VAL 39 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 2jwu s VAL 39 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2jwu s VAL 39 CO 0.00 -0.31 0.29 -0.70 0.00 0.00 0.00 175.10 174.39 2jwu s GLU 40 N -4.00 3.83 0.00 2.72 2.12 -1.26 -4.68 118.70 117.43 2jwu s GLU 40 Ca 0.35 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.42 2jwu s GLU 40 Cb -0.09 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.59 2jwu s GLU 40 CO 0.29 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 2jwu n GLY 41 N 4.93 5.21 3.71 -1.50 0.00 -1.25 -4.92 105.19 111.37 2jwu n GLY 41 Ca -0.11 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 3.03 2.19 0.10 1.61 -7.23 -0.49 -4.75 120.40 114.86 2jwu s VAL 42 Ca 0.00 0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.31 2jwu s VAL 42 Cb 0.00 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2jwu s VAL 42 CO 0.00 -0.06 -0.15 0.26 -0.31 0.00 0.00 175.10 174.84 2jwu s TRP 43 N -2.11 1.37 0.17 2.82 0.52 -1.26 -2.41 118.94 118.04 2jwu s TRP 43 Ca 0.73 -0.50 -0.19 0.00 0.02 0.00 0.00 56.10 56.16 2jwu s TRP 43 Cb -0.28 -0.74 0.04 0.00 -1.15 0.00 0.00 33.47 31.33 2jwu s TRP 43 CO 0.49 0.12 0.52 0.99 0.02 0.00 0.00 176.95 179.08 2jwu s THR 44 N -1.66 0.03 0.03 2.01 2.01 0.35 -4.94 115.64 113.46 2jwu s THR 44 Ca 0.04 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2jwu s THR 44 Cb -0.08 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 2jwu s THR 44 CO 0.03 -0.13 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.31 2jwu s TYR 45 N -3.83 0.41 -0.11 4.92 5.04 -1.26 -0.19 117.35 122.33 2jwu s TYR 45 Ca 0.06 -0.46 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 2jwu s TYR 45 Cb -0.00 -0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.05 2jwu s TYR 45 CO -0.07 -0.13 -0.18 0.15 -1.34 0.00 0.00 175.55 173.98 2jwu s LYS 46 N -1.35 2.50 -0.23 4.97 -0.14 0.18 -4.96 119.74 120.71 2jwu s LYS 46 Ca -0.12 -0.67 0.06 0.00 -1.36 0.00 0.00 55.97 53.88 2jwu s LYS 46 Cb -0.09 -2.05 0.50 0.00 -1.68 0.00 0.00 37.83 34.51 2jwu s LYS 46 CO -0.00 -0.01 1.49 -0.25 -0.76 0.00 0.00 175.35 175.81 2jwu n ASP 47 N 4.06 3.86 0.01 2.83 9.92 -1.26 -2.43 116.55 133.54 2jwu n ASP 47 Ca -0.20 -2.86 -0.10 0.00 -0.53 0.00 0.00 54.79 51.10 2jwu n ASP 47 Cb 0.52 -0.68 -0.13 0.00 -0.64 0.00 0.00 41.12 40.18 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 1.67 0.05 0.00 -1.24 5.08 -1.94 -3.43 114.58 114.76 2jwu h GLU 48 Ca 0.22 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2jwu h GLU 48 Cb 1.89 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.13 2jwu h GLU 48 CO 0.55 0.75 -0.09 0.25 -1.00 0.00 0.00 179.01 179.47 2jwu n THR 49 N -3.21 0.00 -2.72 1.13 -2.24 -1.26 -5.06 114.28 100.92 2jwu n THR 49 Ca -0.13 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 2jwu n THR 49 Cb 1.02 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.32 -2.47 -3.73 -0.78 4.01 -1.19 -4.70 118.16 108.98 2jwu n LYS 50 Ca -0.07 2.17 -0.15 0.00 -0.51 0.00 0.00 58.31 59.74 2jwu n LYS 50 Cb 0.54 -5.32 -0.15 0.00 -0.51 0.00 0.00 35.03 29.59 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 -2.26 -0.10 0.24 -0.18 2.01 -1.02 -2.38 115.64 111.96 2jwu s THR 51 Ca 0.18 0.25 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 2jwu s THR 51 Cb -0.05 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2jwu s THR 51 CO 0.72 0.10 0.43 -0.36 -0.69 0.00 0.00 174.62 174.83 2jwu s PHE 52 N 1.46 3.48 -0.08 4.92 0.40 0.18 0.52 117.98 128.85 2jwu s PHE 52 Ca -0.05 0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.58 2jwu s PHE 52 Cb -0.12 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.60 2jwu s PHE 52 CO -0.05 0.32 0.08 0.99 0.70 0.00 0.00 175.22 177.26 2jwu s THR 53 N -1.99 -0.12 0.00 0.64 2.01 0.73 -2.32 115.64 114.59 2jwu s THR 53 Ca 0.39 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2jwu s THR 53 Cb -0.10 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 2jwu s THR 53 CO 0.30 0.04 -0.02 0.54 -0.69 0.00 0.00 174.62 174.79 2jwu s VAL 54 N 2.17 0.17 0.01 3.82 0.11 -0.44 0.13 120.40 126.38 2jwu s VAL 54 Ca 0.04 -0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2jwu s VAL 54 Cb -0.13 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2jwu s VAL 54 CO -0.05 0.00 0.02 0.28 -3.33 0.00 0.00 175.10 172.02 2jwu s THR 55 N -0.17 0.10 0.00 5.04 -1.32 -1.01 -2.47 115.64 115.81 2jwu s THR 55 Ca -0.01 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2jwu s THR 55 Cb -0.02 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.67 2jwu s THR 55 CO -0.00 -0.45 0.00 1.21 -2.21 0.00 0.00 174.62 173.17