#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 3.47 -0.08 12.58 -1.32 -1.26 -1.81 115.64 127.22 2jwu s THR 2 Ca 0.00 0.97 -0.05 0.00 -1.21 0.00 0.00 61.69 61.40 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 0.03 0.14 -0.31 -2.21 0.00 0.00 174.62 172.27 2jwu s TYR 3 N 1.84 3.53 -0.08 9.09 2.02 0.27 -4.81 117.35 129.21 2jwu s TYR 3 Ca 0.65 0.43 0.05 0.00 -0.37 0.00 0.00 57.07 57.83 2jwu s TYR 3 Cb -0.35 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2jwu s TYR 3 CO 0.29 0.68 -0.24 0.15 -1.57 0.00 0.00 175.55 174.85 2jwu s LYS 4 N -1.32 2.80 -0.03 -0.62 1.02 -1.02 0.11 119.74 120.68 2jwu s LYS 4 Ca 0.19 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.31 2jwu s LYS 4 Cb -0.12 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 2jwu s LYS 4 CO 0.09 0.28 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.53 2jwu s LEU 5 N 0.08 1.75 -0.04 3.17 2.96 -0.91 0.95 118.68 126.65 2jwu s LEU 5 Ca -0.11 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2jwu s LEU 5 Cb -0.16 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.93 2jwu s LEU 5 CO 0.06 0.06 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.53 2jwu s ILE 6 N 0.27 1.03 -0.05 6.68 2.07 -0.57 -2.31 121.20 128.32 2jwu s ILE 6 Ca -0.05 -0.48 0.04 0.00 -1.41 0.00 0.00 60.65 58.76 2jwu s ILE 6 Cb -0.10 -0.91 -0.00 0.00 0.13 0.00 0.00 42.46 41.58 2jwu s ILE 6 CO 0.01 0.32 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.42 2jwu s LEU 7 N 0.28 1.90 -0.22 8.50 1.02 -0.27 -1.19 118.68 128.70 2jwu s LEU 7 Ca -0.06 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.73 2jwu s LEU 7 Cb -0.11 -1.00 0.05 0.00 0.02 0.00 0.00 46.19 45.15 2jwu s LEU 7 CO 0.02 0.14 -0.08 0.20 0.02 0.00 0.00 176.35 176.65 2jwu s ASN 8 N 0.14 3.69 0.49 2.29 -0.87 -1.04 -2.25 114.94 117.40 2jwu s ASN 8 Ca -0.06 -1.07 0.08 0.00 -1.57 0.00 0.00 52.86 50.24 2jwu s ASN 8 Cb -0.13 -1.22 0.03 0.00 -0.02 0.00 0.00 41.25 39.91 2jwu s ASN 8 CO 0.03 -0.19 0.53 -0.76 -2.57 0.00 0.00 177.10 174.13 2jwu s LEU 9 N 1.38 3.17 0.00 0.60 1.43 -1.07 -1.83 118.68 122.36 2jwu s LEU 9 Ca -0.04 -0.86 0.23 0.00 -1.03 0.00 0.00 54.13 52.43 2jwu s LEU 9 Cb -0.18 -1.80 1.13 0.00 0.03 0.00 0.00 46.19 45.37 2jwu s LEU 9 CO -0.07 -0.98 1.76 1.17 0.23 0.00 0.00 176.35 178.46 2jwu n LYS 10 N -1.84 1.33 -1.18 1.70 3.00 -1.26 -4.08 118.16 115.82 2jwu n LYS 10 Ca 0.06 -0.49 -0.04 0.00 -0.00 0.00 0.00 58.31 57.85 2jwu n LYS 10 Cb 0.62 -1.39 -0.01 0.00 0.00 0.00 0.00 35.03 34.25 2jwu n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jwu n GLN 11 N -0.33 0.22 -3.11 1.64 10.64 -1.26 -5.09 117.38 120.09 2jwu n GLN 11 Ca 0.17 -0.65 0.05 0.00 -1.83 0.00 0.00 57.00 54.74 2jwu n GLN 11 Cb 0.20 0.44 0.00 0.00 -0.86 0.00 0.00 30.24 30.02 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 0.02 -4.29 -0.23 2.61 0.00 -1.26 -5.14 121.76 113.46 2jwu s ALA 12 Ca 0.01 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.22 2jwu s ALA 12 Cb 0.07 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2jwu s ALA 12 CO -0.02 -2.17 0.35 0.21 0.00 0.00 0.00 175.76 174.13 2jwu s LYS 13 N 2.89 4.10 -0.02 0.00 2.36 -1.26 -2.59 119.74 125.21 2jwu s LYS 13 Ca 0.29 0.07 0.01 0.00 -2.55 0.00 0.00 55.97 53.78 2jwu s LYS 13 Cb -0.00 -3.58 0.02 0.00 -1.05 0.00 0.00 37.83 33.22 2jwu s LYS 13 CO -0.22 -0.11 -0.01 -1.21 1.55 0.00 0.00 175.35 175.35 2jwu s GLU 14 N 1.54 0.32 -0.04 4.03 2.02 -0.95 -5.03 118.70 120.58 2jwu s GLU 14 Ca 0.16 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.15 2jwu s GLU 14 Cb -0.15 -0.44 0.03 0.00 0.10 0.00 0.00 34.13 33.67 2jwu s GLU 14 CO 0.08 -0.09 0.09 -1.21 0.02 0.00 0.00 175.26 174.16 2jwu s GLU 15 N 0.76 0.05 0.31 1.61 2.02 -1.26 -1.11 118.70 121.09 2jwu s GLU 15 Ca -0.08 0.25 -0.13 0.00 0.02 0.00 0.00 54.97 55.03 2jwu s GLU 15 Cb -0.11 -0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.00 2jwu s GLU 15 CO -0.01 -0.13 0.61 0.00 0.02 0.00 0.00 175.26 175.75 2jwu s ALA 16 N 0.84 -0.35 0.03 5.21 0.00 -0.98 -5.05 121.76 121.46 2jwu s ALA 16 Ca -0.07 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2jwu s ALA 16 Cb -0.09 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2jwu s ALA 16 CO -0.03 -0.91 -0.10 0.42 0.00 0.00 0.00 175.76 175.14 2jwu s ILE 17 N -3.33 0.73 0.37 0.00 -1.09 -1.26 -2.13 121.20 114.49 2jwu s ILE 17 Ca 0.20 -0.82 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 2jwu s ILE 17 Cb -0.03 -0.70 -0.05 0.00 -1.58 0.00 0.00 42.46 40.11 2jwu s ILE 17 CO 0.12 -0.10 0.07 -0.54 -1.23 0.00 0.00 174.94 173.26 2jwu s LYS 18 N -1.02 1.81 -0.21 2.79 -0.14 0.30 -4.99 119.74 118.28 2jwu s LYS 18 Ca -0.02 -2.05 0.02 0.00 -1.36 0.00 0.00 55.97 52.55 2jwu s LYS 18 Cb -0.07 -0.91 0.03 0.00 -1.68 0.00 0.00 37.83 35.21 2jwu s LYS 18 CO 0.01 -0.28 -0.16 -1.21 -0.76 0.00 0.00 175.35 172.95 2jwu s GLU 19 N -3.83 2.62 0.03 1.68 2.02 -1.26 0.95 118.70 120.91 2jwu s GLU 19 Ca 0.30 -0.98 0.01 0.00 0.02 0.00 0.00 54.97 54.31 2jwu s GLU 19 Cb 0.06 -2.63 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 2jwu s GLU 19 CO 0.14 -0.35 0.02 1.28 0.02 0.00 0.00 175.26 176.38 2jwu n LEU 20 N 4.57 0.00 -0.05 1.80 4.77 -0.75 -4.89 117.00 122.46 2jwu n LEU 20 Ca -0.18 -0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.43 2jwu n LEU 20 Cb 0.47 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 2jwu n LEU 20 CO 0.24 -0.04 -0.83 1.33 -1.33 0.00 0.00 177.39 176.75 2jwu n VAL 21 N -0.06 0.54 -4.55 4.08 0.24 -1.26 0.10 118.33 117.43 2jwu n VAL 21 Ca 0.00 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.89 2jwu n VAL 21 Cb 0.05 -1.43 -0.09 0.00 -1.47 0.00 0.00 33.84 30.91 2jwu n VAL 21 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2jwu s ASP 22 N -5.64 3.00 0.05 -1.34 1.47 -1.26 -4.36 116.67 108.59 2jwu s ASP 22 Ca -0.14 -1.57 -0.05 0.00 1.18 0.00 0.00 52.55 51.98 2jwu s ASP 22 Cb 0.05 0.28 -0.29 0.00 -0.34 0.00 0.00 42.92 42.62 2jwu s ASP 22 CO 0.19 -0.79 1.03 0.00 0.68 0.00 0.00 175.17 176.28 2jwu h ALA 23 N 1.80 0.13 -0.49 2.11 0.00 -1.98 -2.52 119.26 118.30 2jwu h ALA 23 Ca -0.39 -0.96 0.10 0.00 0.00 0.00 0.00 54.91 53.66 2jwu h ALA 23 Cb 1.27 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2jwu h ALA 23 CO 0.65 1.01 -0.14 0.00 0.00 0.00 0.00 179.25 180.77 2jwu h ALA 24 N 0.52 0.30 -0.20 0.00 0.00 -1.99 0.96 119.26 118.85 2jwu h ALA 24 Ca -0.18 0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2jwu h ALA 24 Cb 2.00 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.19 2jwu h ALA 24 CO 0.20 -0.46 -0.48 1.15 0.00 0.00 0.00 179.25 179.66 2jwu h THR 25 N -0.02 1.32 -0.18 0.00 2.02 -2.00 -2.79 112.91 111.26 2jwu h THR 25 Ca 0.24 -1.71 0.05 0.00 0.77 0.00 0.00 66.41 65.76 2jwu h THR 25 Cb 0.38 1.87 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 2jwu h THR 25 CO -0.52 0.54 -0.27 0.00 0.37 0.00 0.00 175.52 175.64 2jwu h ALA 26 N 0.59 -0.24 -0.96 6.16 0.00 -0.71 0.32 119.26 124.42 2jwu h ALA 26 Ca -0.00 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.18 2jwu h ALA 26 Cb 1.10 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 2jwu h ALA 26 CO 0.11 -0.72 0.63 0.93 0.00 0.00 0.00 179.25 180.19 2jwu h GLU 27 N -0.32 0.39 -0.09 0.00 5.08 0.89 1.50 114.58 122.03 2jwu h GLU 27 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2jwu h GLU 27 Cb 0.49 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2jwu h GLU 27 CO -0.36 0.26 0.02 -0.22 -1.00 0.00 0.00 179.01 177.71 2jwu h LYS 28 N 0.40 0.15 0.16 2.33 3.11 -0.15 -0.62 116.57 121.95 2jwu h LYS 28 Ca 0.52 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.31 2jwu h LYS 28 Cb 1.31 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 2jwu h LYS 28 CO -0.21 0.34 -0.08 -0.92 -2.81 0.00 0.00 179.45 175.77 2jwu h TYR 29 N -0.06 -0.20 -1.01 1.91 5.03 0.58 -2.68 116.97 120.54 2jwu h TYR 29 Ca 0.03 -0.00 0.29 0.00 2.58 0.00 0.00 58.73 61.63 2jwu h TYR 29 Cb 0.26 0.07 -0.14 0.00 1.55 0.00 0.00 36.73 38.47 2jwu h TYR 29 CO 0.01 -0.13 0.58 0.74 -1.32 0.00 0.00 178.16 178.05 2jwu h PHE 30 N -0.74 0.96 -0.14 -3.82 0.04 0.19 0.95 116.94 114.37 2jwu h PHE 30 Ca -0.02 0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 2jwu h PHE 30 Cb 0.17 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2jwu h PHE 30 CO 0.02 -0.08 -0.37 -0.22 -0.60 0.00 0.00 178.31 177.06 2jwu h LYS 31 N 0.42 0.49 -0.10 1.51 3.64 -1.23 -2.48 116.57 118.84 2jwu h LYS 31 Ca 0.70 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 59.76 2jwu h LYS 31 Cb 1.51 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2jwu h LYS 31 CO -0.55 0.96 0.08 -0.07 -2.27 0.00 0.00 179.45 177.60 2jwu h LEU 32 N 0.10 0.00 0.08 5.20 4.07 -0.51 0.23 115.31 124.48 2jwu h LEU 32 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 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 0.08 0.00 -0.04 0.22 -1.08 0.00 0.00 178.44 177.62 2jwu h TYR 33 N 0.00 -0.10 0.00 1.13 5.03 -1.08 -2.60 116.97 119.36 2jwu h TYR 33 Ca 0.05 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 2jwu h TYR 33 Cb 0.20 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.51 2jwu h TYR 33 CO 0.00 0.33 -0.05 0.00 -1.32 0.00 0.00 178.16 177.12 2jwu h ALA 34 N -0.50 1.12 0.20 1.82 0.00 -1.18 0.39 119.26 121.12 2jwu h ALA 34 Ca -0.01 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 2jwu h ALA 34 Cb 0.48 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2jwu h ALA 34 CO 0.02 0.07 -1.43 -0.97 0.00 0.00 0.00 179.25 176.94 2jwu h ASN 35 N 0.00 0.68 0.00 0.00 -1.24 -0.63 -1.30 115.58 113.08 2jwu h ASN 35 Ca -0.00 -0.75 0.00 0.00 0.71 0.00 0.00 56.30 56.26 2jwu h ASN 35 Cb 0.30 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.13 2jwu h ASN 35 CO 0.01 1.59 -0.39 0.00 -1.29 0.00 0.00 177.43 177.35 2jwu n ALA 36 N -2.67 0.34 0.04 1.57 0.00 -0.98 -4.47 120.51 114.35 2jwu n ALA 36 Ca -0.15 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 52.98 2jwu n ALA 36 Cb 1.08 0.01 0.49 0.00 0.00 0.00 0.00 19.45 21.03 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 -0.61 0.39 0.00 0.00 6.56 -0.43 -3.45 116.57 119.03 2jwu h LYS 37 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2jwu h LYS 37 Cb 0.39 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2jwu h LYS 37 CO 0.00 0.26 0.00 2.41 -2.06 0.00 0.00 179.45 180.06 2jwu n THR 38 N -4.49 0.00 -4.69 -0.16 -1.04 -1.13 -5.01 114.28 97.77 2jwu n THR 38 Ca 0.03 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 2jwu n THR 38 Cb 0.12 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.55 2jwu n THR 38 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2jwu s VAL 39 N 0.79 1.16 -0.42 12.58 -7.23 -0.50 -4.26 120.40 122.51 2jwu s VAL 39 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2jwu s VAL 39 Cb 0.00 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.64 2jwu s VAL 39 CO 0.00 0.00 0.43 -1.83 -0.31 0.00 0.00 175.10 173.39 2jwu s GLU 40 N -3.82 3.09 0.00 4.82 -1.05 -1.26 -4.61 118.70 115.86 2jwu s GLU 40 Ca 0.14 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 2jwu s GLU 40 Cb 0.03 -3.97 0.00 0.00 -0.44 0.00 0.00 34.13 29.75 2jwu s GLU 40 CO 0.08 -0.86 0.00 0.41 0.95 0.00 0.00 175.26 175.84 2jwu n GLY 41 N 5.12 5.20 3.58 -3.83 0.00 -1.26 -4.95 105.19 109.06 2jwu n GLY 41 Ca -0.07 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 2.17 3.58 0.48 1.61 1.01 0.25 -4.75 120.40 124.75 2jwu s VAL 42 Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 2jwu s VAL 42 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2jwu s VAL 42 CO 0.00 -0.77 0.98 0.26 0.00 0.00 0.00 175.10 175.57 2jwu s TRP 43 N 7.10 3.28 -0.13 5.22 0.52 -1.26 -2.34 118.94 131.33 2jwu s TRP 43 Ca 0.67 1.55 -0.23 0.00 0.02 0.00 0.00 56.10 58.11 2jwu s TRP 43 Cb -0.16 -2.88 0.06 0.00 -1.15 0.00 0.00 33.47 29.34 2jwu s TRP 43 CO 0.28 -0.39 0.57 0.99 0.02 0.00 0.00 176.95 178.42 2jwu s THR 44 N -2.31 0.01 0.11 2.01 2.01 0.38 -4.93 115.64 112.92 2jwu s THR 44 Ca 0.62 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.58 2jwu s THR 44 Cb -0.11 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 2jwu s THR 44 CO 0.22 -0.04 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.52 2jwu s TYR 45 N -0.47 1.19 -0.12 4.92 5.04 -1.26 0.57 117.35 127.21 2jwu s TYR 45 Ca -0.06 -0.64 0.01 0.00 -2.44 0.00 0.00 57.07 53.94 2jwu s TYR 45 Cb -0.03 -0.63 0.02 0.00 0.35 0.00 0.00 41.96 41.67 2jwu s TYR 45 CO 0.04 0.06 -0.13 0.15 -1.34 0.00 0.00 175.55 174.33 2jwu s LYS 46 N -2.88 2.02 -0.42 4.97 -0.14 0.17 -4.97 119.74 118.49 2jwu s LYS 46 Ca 0.08 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.23 2jwu s LYS 46 Cb -0.03 -1.84 0.42 0.00 -1.68 0.00 0.00 37.83 34.70 2jwu s LYS 46 CO 0.01 -0.16 1.87 -0.25 -0.76 0.00 0.00 175.35 176.06 2jwu n ASP 47 N 4.53 5.42 -0.06 2.83 8.00 -1.26 -2.40 116.55 133.61 2jwu n ASP 47 Ca -0.17 -3.33 -0.06 0.00 0.71 0.00 0.00 54.79 51.93 2jwu n ASP 47 Cb 0.51 -0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.52 1.80 -0.96 -1.24 1.02 -1.26 -4.82 120.64 114.66 2jwu n GLU 48 Ca 0.46 0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.55 2jwu n GLU 48 Cb 0.99 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 31.06 2jwu n GLU 48 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jwu n THR 49 N -2.52 0.00 -2.96 2.62 -2.24 -1.26 -5.05 114.28 102.87 2jwu n THR 49 Ca -0.20 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 2jwu n THR 49 Cb 0.85 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.00 -1.92 -4.73 -0.78 4.01 -1.16 -4.74 118.16 108.84 2jwu n LYS 50 Ca -0.26 1.83 -0.24 0.00 -0.51 0.00 0.00 58.31 59.14 2jwu n LYS 50 Cb 0.69 -5.62 -0.15 0.00 -0.51 0.00 0.00 35.03 29.44 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 -2.76 1.36 0.06 -0.18 2.01 -1.01 -2.42 115.64 112.70 2jwu s THR 51 Ca 0.14 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.41 2jwu s THR 51 Cb -0.04 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 2jwu s THR 51 CO 0.77 0.31 -0.26 -0.36 -0.69 0.00 0.00 174.62 174.38 2jwu s PHE 52 N -0.51 2.32 -0.09 4.92 0.40 0.27 0.45 117.98 125.75 2jwu s PHE 52 Ca 0.06 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 2jwu s PHE 52 Cb -0.07 -1.37 0.05 0.00 0.51 0.00 0.00 43.02 42.13 2jwu s PHE 52 CO -0.00 0.15 0.17 0.99 0.70 0.00 0.00 175.22 177.23 2jwu s THR 53 N -0.84 -0.24 -0.04 0.64 2.01 0.19 -1.51 115.64 115.86 2jwu s THR 53 Ca 0.12 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 2jwu s THR 53 Cb -0.10 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.14 2jwu s THR 53 CO 0.03 0.14 0.02 0.54 -0.69 0.00 0.00 174.62 174.65 2jwu s VAL 54 N 2.15 0.09 0.08 3.82 0.11 -0.33 0.14 120.40 126.46 2jwu s VAL 54 Ca 0.01 0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 2jwu s VAL 54 Cb -0.12 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2jwu s VAL 54 CO -0.06 0.16 -0.07 0.28 -3.33 0.00 0.00 175.10 172.08 2jwu s THR 55 N 1.45 0.62 -2.00 5.04 -1.32 -0.99 -2.50 115.64 115.94 2jwu s THR 55 Ca -0.04 -1.67 0.16 0.00 -1.21 0.00 0.00 61.69 58.94 2jwu s THR 55 Cb -0.13 -1.35 0.46 0.00 -1.51 0.00 0.00 72.50 69.98 2jwu s THR 55 CO -0.03 -0.73 1.38 1.21 -2.21 0.00 0.00 174.62 174.24