#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 3.79 -0.18 12.58 2.01 -1.26 -0.28 115.64 132.30 2jwu s THR 2 Ca 0.00 0.95 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 2jwu s THR 2 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2jwu s THR 2 CO 0.00 -0.11 0.01 -0.31 -0.69 0.00 0.00 174.62 173.52 2jwu s TYR 3 N 4.02 3.10 -0.10 4.92 2.02 0.29 -4.78 117.35 126.82 2jwu s TYR 3 Ca 0.68 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 2jwu s TYR 3 Cb -0.29 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 2jwu s TYR 3 CO 0.25 -0.04 -0.04 0.21 -1.57 0.00 0.00 175.55 174.37 2jwu s LYS 4 N 0.58 3.14 0.02 -0.62 2.20 -0.99 -0.07 119.74 124.00 2jwu s LYS 4 Ca -0.00 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.17 2jwu s LYS 4 Cb -0.14 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2jwu s LYS 4 CO 0.02 0.53 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.21 2jwu s LEU 5 N -0.44 2.11 -0.08 5.43 2.96 -0.97 0.27 118.68 127.97 2jwu s LEU 5 Ca 0.07 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2jwu s LEU 5 Cb -0.12 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.78 2jwu s LEU 5 CO 0.02 0.14 -0.08 -0.51 -1.32 0.00 0.00 176.35 174.60 2jwu s ILE 6 N -0.63 0.93 -0.14 6.68 2.07 -0.98 -2.11 121.20 127.01 2jwu s ILE 6 Ca 0.05 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.00 2jwu s ILE 6 Cb -0.07 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.62 2jwu s ILE 6 CO 0.01 0.33 -0.21 -0.76 -1.91 0.00 0.00 174.94 172.39 2jwu s LEU 7 N 1.11 2.16 -0.35 8.50 1.02 0.20 -1.40 118.68 129.91 2jwu s LEU 7 Ca -0.07 -0.59 -0.03 0.00 0.02 0.00 0.00 54.13 53.46 2jwu s LEU 7 Cb -0.14 -1.46 0.07 0.00 0.02 0.00 0.00 46.19 44.68 2jwu s LEU 7 CO -0.01 0.08 0.10 0.20 0.02 0.00 0.00 176.35 176.74 2jwu s ASN 8 N 0.83 5.12 0.82 2.29 -0.87 -0.97 -0.66 114.94 121.50 2jwu s ASN 8 Ca -0.06 -1.56 -0.06 0.00 -1.57 0.00 0.00 52.86 49.60 2jwu s ASN 8 Cb -0.15 -1.79 0.16 0.00 -0.02 0.00 0.00 41.25 39.45 2jwu s ASN 8 CO -0.02 -0.39 1.05 0.18 -2.57 0.00 0.00 177.10 175.35 2jwu n LEU 9 N 4.64 0.00 -2.07 0.60 4.77 -1.02 -1.91 117.00 122.01 2jwu n LEU 9 Ca -0.08 -1.73 -0.22 0.00 -0.03 0.00 0.00 56.01 53.94 2jwu n LEU 9 Cb 0.43 -0.73 0.14 0.00 -2.33 0.00 0.00 43.42 40.92 2jwu n LEU 9 CO 0.30 -1.12 1.21 1.17 -1.33 0.00 0.00 177.39 177.62 2jwu n LYS 10 N -3.06 2.12 0.00 3.23 4.81 -1.26 -4.35 118.16 119.65 2jwu n LYS 10 Ca 0.15 -2.60 0.00 0.00 -0.87 0.00 0.00 58.31 54.99 2jwu n LYS 10 Cb 0.55 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 -0.86 0.00 -4.05 1.64 10.64 -1.26 -5.15 117.38 118.34 2jwu n GLN 11 Ca 0.52 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.60 2jwu n GLN 11 Cb 1.38 -0.06 -0.09 0.00 -0.86 0.00 0.00 30.24 30.60 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 -1.62 0.44 -0.26 2.61 0.00 -1.26 -5.14 121.76 116.52 2jwu s ALA 12 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2jwu s ALA 12 Cb 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 2jwu s ALA 12 CO 0.00 -0.48 0.17 0.15 0.00 0.00 0.00 175.76 175.61 2jwu s LYS 13 N -3.96 3.98 -0.11 0.00 1.02 -1.26 -2.43 119.74 116.97 2jwu s LYS 13 Ca 0.14 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.84 2jwu s LYS 13 Cb 0.07 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2jwu s LYS 13 CO -0.04 -0.10 -0.17 -1.21 -0.92 0.00 0.00 175.35 172.91 2jwu s GLU 14 N 1.51 3.21 -0.11 1.68 0.41 0.16 -5.01 118.70 120.54 2jwu s GLU 14 Ca 0.07 -0.75 -0.09 0.00 -0.41 0.00 0.00 54.97 53.79 2jwu s GLU 14 Cb -0.15 -2.50 0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2jwu s GLU 14 CO 0.08 0.23 0.28 -1.83 -0.49 0.00 0.00 175.26 173.54 2jwu s GLU 15 N 0.27 0.31 0.26 1.61 -1.05 -1.26 0.60 118.70 119.44 2jwu s GLU 15 Ca -0.12 0.43 0.02 0.00 -0.15 0.00 0.00 54.97 55.15 2jwu s GLU 15 Cb -0.16 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 2jwu s GLU 15 CO 0.06 -0.06 0.16 0.00 0.95 0.00 0.00 175.26 176.38 2jwu s ALA 16 N 0.37 1.60 -0.06 -0.84 0.00 -0.90 -5.01 121.76 116.92 2jwu s ALA 16 Ca -0.02 -1.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.13 2jwu s ALA 16 Cb -0.03 1.30 0.03 0.00 0.00 0.00 0.00 23.12 24.41 2jwu s ALA 16 CO -0.02 -0.57 0.00 -1.50 0.00 0.00 0.00 175.76 173.68 2jwu s ILE 17 N -3.81 0.32 -0.02 0.00 -1.16 -1.26 -2.28 121.20 112.98 2jwu s ILE 17 Ca 0.38 0.12 0.03 0.00 -0.51 0.00 0.00 60.65 60.67 2jwu s ILE 17 Cb 0.06 -0.46 -0.00 0.00 0.61 0.00 0.00 42.46 42.66 2jwu s ILE 17 CO 0.17 0.23 -0.11 -0.54 -2.81 0.00 0.00 174.94 171.88 2jwu s LYS 18 N 1.72 1.08 -0.11 3.50 -0.14 0.91 -5.00 119.74 121.69 2jwu s LYS 18 Ca 0.01 -0.40 -0.14 0.00 -1.36 0.00 0.00 55.97 54.08 2jwu s LYS 18 Cb -0.13 -1.01 -0.05 0.00 -1.68 0.00 0.00 37.83 34.97 2jwu s LYS 18 CO -0.04 0.19 0.33 -2.00 -0.76 0.00 0.00 175.35 173.07 2jwu s GLU 19 N -0.03 4.11 0.17 1.68 2.12 -1.26 0.11 118.70 125.60 2jwu s GLU 19 Ca 0.00 0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.56 2jwu s GLU 19 Cb -0.07 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2jwu s GLU 19 CO 0.00 0.39 0.11 1.28 -0.54 0.00 0.00 175.26 176.50 2jwu n LEU 20 N 3.02 0.00 -0.13 2.70 7.99 0.62 -4.85 117.00 126.34 2jwu n LEU 20 Ca -0.12 -1.52 -0.25 0.00 -0.01 0.00 0.00 56.01 54.11 2jwu n LEU 20 Cb 0.52 0.70 -0.11 0.00 -0.11 0.00 0.00 43.42 44.42 2jwu n LEU 20 CO 0.39 -0.25 -1.35 0.55 -1.51 0.00 0.00 177.39 175.22 2jwu n VAL 21 N -0.35 1.52 -4.32 4.08 3.14 -1.26 0.12 118.33 121.26 2jwu n VAL 21 Ca 0.02 -0.45 -0.17 0.00 -2.96 0.00 0.00 64.34 60.78 2jwu n VAL 21 Cb 0.29 -1.70 -0.10 0.00 -1.06 0.00 0.00 33.84 31.27 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jwu s ASP 22 N -7.08 1.20 0.03 6.55 -1.08 -1.26 -3.24 116.67 111.78 2jwu s ASP 22 Ca -0.36 -1.41 -0.19 0.00 -0.52 0.00 0.00 52.55 50.07 2jwu s ASP 22 Cb 0.12 0.20 -0.20 0.00 -1.46 0.00 0.00 42.92 41.57 2jwu s ASP 22 CO 0.55 -0.75 1.17 0.00 0.52 0.00 0.00 175.17 176.66 2jwu h ALA 23 N 2.37 0.14 -0.62 3.66 0.00 -1.97 -0.81 119.26 122.03 2jwu h ALA 23 Ca -0.38 -0.53 0.13 0.00 0.00 0.00 0.00 54.91 54.13 2jwu h ALA 23 Cb 1.25 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 2jwu h ALA 23 CO 0.59 0.36 -0.15 0.00 0.00 0.00 0.00 179.25 180.06 2jwu h ALA 24 N 0.41 0.42 -0.32 0.00 0.00 -1.99 0.97 119.26 118.76 2jwu h ALA 24 Ca -0.05 0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2jwu h ALA 24 Cb 1.21 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2jwu h ALA 24 CO 0.11 -0.42 -0.42 1.15 0.00 0.00 0.00 179.25 179.67 2jwu h THR 25 N 0.00 1.28 -0.22 0.00 2.02 -1.99 -2.78 112.91 111.22 2jwu h THR 25 Ca 0.30 -1.60 0.06 0.00 0.77 0.00 0.00 66.41 65.94 2jwu h THR 25 Cb 0.46 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 2jwu h THR 25 CO -0.64 0.52 -0.19 0.00 0.37 0.00 0.00 175.52 175.58 2jwu h ALA 26 N 0.71 -0.06 -0.83 6.16 0.00 0.80 0.32 119.26 126.37 2jwu h ALA 26 Ca 0.04 0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.21 2jwu h ALA 26 Cb 1.02 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 2jwu h ALA 26 CO 0.10 -0.62 0.56 1.49 0.00 0.00 0.00 179.25 180.78 2jwu h GLU 27 N -0.20 0.33 -0.03 0.00 4.81 0.89 1.69 114.58 122.08 2jwu h GLU 27 Ca 0.13 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2jwu h GLU 27 Cb 0.40 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2jwu h GLU 27 CO -0.34 0.22 -0.11 0.87 -0.73 0.00 0.00 179.01 178.91 2jwu h LYS 28 N 0.34 0.13 0.38 1.92 1.57 -0.27 -2.30 116.57 118.34 2jwu h LYS 28 Ca 0.42 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 2jwu h LYS 28 Cb 1.11 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2jwu h LYS 28 CO -0.13 0.74 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.39 2jwu h TYR 29 N -0.47 -0.47 -0.51 -1.35 5.03 0.75 -2.71 116.97 117.23 2jwu h TYR 29 Ca -0.01 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.44 2jwu h TYR 29 Cb 0.76 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.18 2jwu h TYR 29 CO 0.14 -0.23 0.44 0.74 -1.32 0.00 0.00 178.16 177.93 2jwu h PHE 30 N -1.09 0.00 0.01 -3.82 0.04 0.23 0.32 116.94 112.63 2jwu h PHE 30 Ca -0.05 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.51 2jwu h PHE 30 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2jwu h PHE 30 CO 0.01 0.00 -0.91 -0.22 -0.60 0.00 0.00 178.31 176.59 2jwu h LYS 31 N 0.00 0.20 0.00 1.51 3.11 -1.43 -2.46 116.57 117.49 2jwu h LYS 31 Ca 0.24 -0.23 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 2jwu h LYS 31 Cb 1.12 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 2jwu h LYS 31 CO -0.00 0.98 -0.28 -0.07 -2.81 0.00 0.00 179.45 177.26 2jwu h LEU 32 N 0.10 0.00 0.00 5.20 4.07 -0.05 -1.71 115.31 122.92 2jwu h LEU 32 Ca -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 2jwu h LEU 32 Cb 1.56 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.30 2jwu h LEU 32 CO 0.14 0.28 -0.04 0.22 -1.08 0.00 0.00 178.44 177.97 2jwu h TYR 33 N 0.00 0.00 -0.11 1.13 5.03 -1.30 -2.42 116.97 119.30 2jwu h TYR 33 Ca -0.00 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 2jwu h TYR 33 Cb 0.71 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.99 2jwu h TYR 33 CO 0.00 0.47 0.08 0.00 -1.32 0.00 0.00 178.16 177.39 2jwu h ALA 34 N -0.55 2.05 0.00 1.82 0.00 -1.48 0.85 119.26 121.95 2jwu h ALA 34 Ca -0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2jwu h ALA 34 Cb 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jwu h ALA 34 CO -0.00 -0.13 -1.08 -0.97 0.00 0.00 0.00 179.25 177.06 2jwu h ASN 35 N 0.00 0.00 0.00 0.00 -1.24 -1.42 -3.10 115.58 109.82 2jwu h ASN 35 Ca 0.05 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.93 2jwu h ASN 35 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2jwu h ASN 35 CO -0.00 0.92 -0.83 0.00 -1.29 0.00 0.00 177.43 176.22 2jwu h ALA 36 N 1.08 0.15 0.10 1.57 0.00 -0.69 -3.42 119.26 118.05 2jwu h ALA 36 Ca -0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 53.97 2jwu h ALA 36 Cb 1.76 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2jwu h ALA 36 CO 0.11 0.52 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 2jwu h LYS 37 N -1.00 -0.13 0.00 0.00 6.56 0.49 -3.47 116.57 119.02 2jwu h LYS 37 Ca -0.20 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 2jwu h LYS 37 Cb 0.99 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 2jwu h LYS 37 CO -0.12 -0.09 0.00 0.25 -2.06 0.00 0.00 179.45 177.43 2jwu n THR 38 N -2.47 0.00 -2.92 -0.16 -2.24 -1.17 -5.07 114.28 100.25 2jwu n THR 38 Ca -0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 2jwu n THR 38 Cb 0.06 -0.32 0.02 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.68 3.46 -0.28 2.28 1.01 -1.25 -4.29 120.40 123.01 2jwu s VAL 39 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2jwu s VAL 39 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2jwu s VAL 39 CO 0.00 -0.17 0.33 -0.70 0.00 0.00 0.00 175.10 174.56 2jwu s GLU 40 N -4.57 3.95 0.00 2.72 2.12 -1.26 -4.58 118.70 117.07 2jwu s GLU 40 Ca 0.52 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.74 2jwu s GLU 40 Cb -0.10 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.62 2jwu s GLU 40 CO 0.37 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2jwu n GLY 41 N 4.81 5.35 3.69 -1.50 0.00 -1.26 -4.80 105.19 111.48 2jwu n GLY 41 Ca -0.10 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 3.40 2.19 -0.01 1.61 0.11 0.25 -4.70 120.40 123.26 2jwu s VAL 42 Ca 0.00 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2jwu s VAL 42 Cb 0.00 -2.22 -0.00 0.00 -1.53 0.00 0.00 36.38 32.63 2jwu s VAL 42 CO 0.00 -0.08 -0.07 0.26 -3.33 0.00 0.00 175.10 171.88 2jwu s TRP 43 N -2.56 0.71 0.01 1.54 0.52 -1.26 -2.46 118.94 115.44 2jwu s TRP 43 Ca 0.68 -0.14 -0.21 0.00 0.02 0.00 0.00 56.10 56.44 2jwu s TRP 43 Cb -0.23 -0.48 0.04 0.00 -1.15 0.00 0.00 33.47 31.65 2jwu s TRP 43 CO 0.56 -0.03 0.47 0.99 0.02 0.00 0.00 176.95 178.95 2jwu s THR 44 N -0.06 0.04 0.12 2.01 2.01 0.24 -4.97 115.64 115.03 2jwu s THR 44 Ca 0.01 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.78 2jwu s THR 44 Cb -0.04 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2jwu s THR 44 CO -0.00 -0.17 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.09 2jwu s TYR 45 N -1.86 1.79 -0.20 4.92 5.04 -1.26 0.10 117.35 125.89 2jwu s TYR 45 Ca -0.09 -0.43 0.01 0.00 -2.44 0.00 0.00 57.07 54.12 2jwu s TYR 45 Cb -0.02 -0.96 0.03 0.00 0.35 0.00 0.00 41.96 41.36 2jwu s TYR 45 CO 0.02 0.23 -0.16 0.21 -1.34 0.00 0.00 175.55 174.52 2jwu s LYS 46 N -2.12 2.64 -0.28 4.97 2.47 0.15 -4.94 119.74 122.62 2jwu s LYS 46 Ca 0.09 -0.93 0.04 0.00 -1.56 0.00 0.00 55.97 53.60 2jwu s LYS 46 Cb -0.09 -2.58 0.47 0.00 -1.46 0.00 0.00 37.83 34.17 2jwu s LYS 46 CO 0.05 -0.32 1.58 -0.25 0.16 0.00 0.00 175.35 176.56 2jwu n ASP 47 N 4.60 3.63 -0.10 1.43 8.00 -1.26 -2.39 116.55 130.45 2jwu n ASP 47 Ca -0.18 -3.01 -0.10 0.00 0.71 0.00 0.00 54.79 52.20 2jwu n ASP 47 Cb 0.48 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jwu n GLU 48 N -0.44 0.78 -0.94 -1.24 4.71 -1.26 -4.75 120.64 117.50 2jwu n GLU 48 Ca 0.37 -0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.46 2jwu n GLU 48 Cb 1.23 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 30.10 2jwu n GLU 48 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2jwu n THR 49 N -2.75 0.00 -2.98 2.62 5.66 -1.26 -5.06 114.28 110.51 2jwu n THR 49 Ca -0.33 -0.01 -0.14 0.00 -3.05 0.00 0.00 64.05 60.52 2jwu n THR 49 Cb 1.13 0.44 0.02 0.00 -1.55 0.00 0.00 70.33 70.37 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 0.01 -2.27 -3.73 1.09 5.02 -1.12 -4.75 118.16 112.41 2jwu n LYS 50 Ca -0.24 1.97 -0.13 0.00 -2.02 0.00 0.00 58.31 57.90 2jwu n LYS 50 Cb 0.68 -5.00 -0.14 0.00 -0.02 0.00 0.00 35.03 30.55 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 -2.42 -0.05 0.17 -0.18 2.01 -1.01 -2.35 115.64 111.81 2jwu s THR 51 Ca 0.27 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 2jwu s THR 51 Cb -0.06 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 2jwu s THR 51 CO 0.79 0.07 0.40 -0.36 -0.69 0.00 0.00 174.62 174.82 2jwu s PHE 52 N 1.26 3.48 -0.12 4.92 0.40 0.14 0.32 117.98 128.38 2jwu s PHE 52 Ca -0.09 0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 56.74 2jwu s PHE 52 Cb -0.11 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.47 2jwu s PHE 52 CO -0.07 0.40 -0.01 0.99 0.70 0.00 0.00 175.22 177.23 2jwu s THR 53 N -1.74 0.57 -0.01 0.64 2.01 0.29 -2.33 115.64 115.07 2jwu s THR 53 Ca 0.41 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.24 2jwu s THR 53 Cb -0.12 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2jwu s THR 53 CO 0.26 0.15 -0.01 0.54 -0.69 0.00 0.00 174.62 174.86 2jwu s VAL 54 N 1.88 0.14 -0.04 3.82 0.11 -0.50 0.82 120.40 126.63 2jwu s VAL 54 Ca 0.03 -0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2jwu s VAL 54 Cb -0.14 -0.14 0.03 0.00 -1.53 0.00 0.00 36.38 34.60 2jwu s VAL 54 CO -0.07 0.05 0.08 0.42 -3.33 0.00 0.00 175.10 172.26 2jwu s THR 55 N 0.13 -0.08 -1.31 5.04 -4.23 -1.03 -2.29 115.64 111.88 2jwu s THR 55 Ca -0.01 0.24 0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2jwu s THR 55 Cb -0.03 -0.16 0.08 0.00 1.34 0.00 0.00 72.50 73.74 2jwu s THR 55 CO -0.00 0.10 0.83 1.21 -0.54 0.00 0.00 174.62 176.22