#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jws n THR 2 N 0.00 0.01 -2.02 1.09 -2.24 -1.26 -5.02 114.28 104.84 2jws n THR 2 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.59 2jws n THR 2 Cb 0.00 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 2jws n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jws n TYR 3 N -2.80 -0.61 0.07 4.78 9.36 -1.26 -4.43 117.16 122.28 2jws n TYR 3 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2jws n TYR 3 Cb 0.00 -3.58 0.00 0.00 -0.63 0.00 0.00 39.34 35.13 2jws n TYR 3 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jws n LYS 4 N -2.67 0.00 0.00 2.98 4.81 -1.26 -5.08 118.16 116.94 2jws n LYS 4 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 2jws n LYS 4 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 2jws n LYS 4 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2jws n LEU 5 N -2.65 0.00 -2.98 3.14 4.77 -1.26 -4.86 117.00 113.17 2jws n LEU 5 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2jws n LEU 5 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2jws n LEU 5 CO 0.00 0.00 -0.44 -0.38 -1.33 0.00 0.00 177.39 175.24 2jws n ILE 6 N 0.00 -5.90 -3.93 -0.08 2.08 -1.26 -5.03 119.36 105.23 2jws n ILE 6 Ca 0.00 1.06 0.00 0.00 0.56 0.00 0.00 62.75 64.37 2jws n ILE 6 Cb 0.00 -4.43 0.00 0.00 -0.75 0.00 0.00 39.64 34.46 2jws n ILE 6 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2jws n LEU 7 N 1.37 0.00 0.00 1.39 4.77 -1.26 -5.05 117.00 118.23 2jws n LEU 7 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2jws n LEU 7 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2jws n LEU 7 CO 0.17 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.82 2jws n ASN 8 N -1.09 0.00 -0.02 -1.43 4.13 -1.26 -4.99 115.26 110.60 2jws n ASN 8 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 2jws n ASN 8 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 2jws n ASN 8 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2jws h LEU 9 N 0.00 0.12 -1.60 3.41 6.46 -1.97 0.36 115.31 122.09 2jws h LEU 9 Ca 0.00 -0.35 0.20 0.00 -0.12 0.00 0.00 57.88 57.61 2jws h LEU 9 Cb 0.00 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 2jws h LEU 9 CO 0.00 0.45 0.58 0.11 -0.62 0.00 0.00 178.44 178.96 2jws h LYS 10 N -0.21 0.33 0.00 1.25 1.57 -1.97 0.84 116.57 118.38 2jws h LYS 10 Ca 0.02 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2jws h LYS 10 Cb 0.39 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2jws h LYS 10 CO 0.01 0.22 -1.62 1.96 -0.57 0.00 0.00 179.45 179.44 2jws h GLN 11 N 0.33 0.00 -0.69 3.15 4.20 -1.91 -2.60 115.11 117.59 2jws h GLN 11 Ca 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 2jws h GLN 11 Cb 1.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 2jws h GLN 11 CO -0.14 0.52 0.31 0.00 -0.67 0.00 0.00 178.83 178.84 2jws h ALA 12 N 1.03 1.24 0.10 3.87 0.00 0.20 -0.57 119.26 125.13 2jws h ALA 12 Ca -0.25 -0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.20 2jws h ALA 12 Cb 1.96 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2jws h ALA 12 CO 0.08 0.57 -1.58 1.57 0.00 0.00 0.00 179.25 179.89 2jws h LYS 13 N 0.99 0.22 -0.78 0.00 -0.00 -1.17 -2.55 116.57 113.28 2jws h LYS 13 Ca 0.24 -0.37 0.01 0.00 -0.00 0.00 0.00 60.65 60.52 2jws h LYS 13 Cb 0.14 0.14 -0.04 0.00 -0.00 0.00 0.00 32.23 32.47 2jws h LYS 13 CO -0.03 1.06 0.51 1.05 -0.00 0.00 0.00 179.45 182.04 2jws h GLU 14 N 0.06 1.01 -0.02 0.07 -0.00 -1.26 0.96 114.58 115.41 2jws h GLU 14 Ca -0.26 -0.06 -0.13 0.00 -0.00 0.00 0.00 59.36 58.90 2jws h GLU 14 Cb 2.01 -0.23 -0.02 0.00 -0.00 0.00 0.00 28.75 30.52 2jws h GLU 14 CO 0.14 0.67 -0.61 1.49 -0.00 0.00 0.00 179.01 180.70 2jws h GLU 15 N 1.05 0.08 -0.13 1.06 4.57 -1.22 -2.82 114.58 117.16 2jws h GLU 15 Ca 0.29 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 2jws h GLU 15 Cb -0.11 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2jws h GLU 15 CO -0.07 0.67 -0.07 0.00 -1.18 0.00 0.00 179.01 178.36 2jws h ALA 16 N 1.32 0.18 -0.95 2.92 0.00 -0.60 0.10 119.26 122.23 2jws h ALA 16 Ca -0.01 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2jws h ALA 16 Cb 1.10 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2jws h ALA 16 CO 0.08 -0.01 0.62 0.97 0.00 0.00 0.00 179.25 180.91 2jws h ILE 17 N -0.08 1.07 -0.12 0.00 6.09 0.90 0.60 117.51 125.97 2jws h ILE 17 Ca 0.03 -0.37 -0.10 0.00 -1.37 0.00 0.00 64.86 63.05 2jws h ILE 17 Cb 0.55 -0.12 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 2jws h ILE 17 CO 0.02 0.20 -0.35 0.50 -3.07 0.00 0.00 178.15 175.45 2jws h LYS 18 N 1.09 0.25 -0.03 2.19 3.64 -1.35 0.50 116.57 122.87 2jws h LYS 18 Ca 0.41 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2jws h LYS 18 Cb 0.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jws h LYS 18 CO -0.16 0.58 0.00 0.93 -2.27 0.00 0.00 179.45 178.53 2jws h GLU 19 N 0.22 0.04 -0.05 1.90 3.07 0.25 -1.55 114.58 118.46 2jws h GLU 19 Ca 0.03 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.67 2jws h GLU 19 Cb 0.73 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2jws h GLU 19 CO 0.06 0.34 -0.82 1.25 -1.40 0.00 0.00 179.01 178.43 2jws h LEU 20 N -0.25 0.54 -1.55 1.33 5.85 0.08 0.13 115.31 121.44 2jws h LEU 20 Ca 0.01 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 2jws h LEU 20 Cb 0.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jws h LEU 20 CO 0.00 1.16 -0.11 0.58 -0.34 0.00 0.00 178.44 179.73 2jws h VAL 21 N 0.28 1.14 0.07 1.05 2.07 0.02 0.87 116.25 121.74 2jws h VAL 21 Ca -0.05 -0.62 -0.32 0.00 0.82 0.00 0.00 66.70 66.53 2jws h VAL 21 Cb 1.43 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 2jws h VAL 21 CO 0.14 0.19 -1.81 0.44 0.02 0.00 0.00 177.57 176.55 2jws h ASP 22 N 0.14 0.22 1.47 0.57 3.32 -1.20 -3.33 116.42 117.62 2jws h ASP 22 Ca 0.03 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2jws h ASP 22 Cb 0.29 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jws h ASP 22 CO 0.02 1.42 0.00 0.00 -1.72 0.00 0.00 179.24 178.96 2jws n ALA 23 N -2.75 2.26 -2.96 3.45 0.00 0.46 -4.85 120.51 116.12 2jws n ALA 23 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 2jws n ALA 23 Cb 1.05 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 2jws n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jws n GLY 24 N 1.26 -1.61 2.53 0.00 0.00 0.30 -4.71 105.19 102.96 2jws n GLY 24 Ca 0.05 0.48 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2jws n GLY 24 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jws n ILE 25 N 1.98 0.00 -1.52 -0.61 -0.00 -1.25 -5.07 119.36 112.88 2jws n ILE 25 Ca -0.10 -0.59 -0.32 0.00 -0.00 0.00 0.00 62.75 61.73 2jws n ILE 25 Cb 0.25 0.63 -0.14 0.00 -0.00 0.00 0.00 39.64 40.38 2jws n ILE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jws n ALA 26 N -1.40 0.60 -0.06 -1.28 0.00 -1.26 -4.69 120.51 112.42 2jws n ALA 26 Ca -0.11 -0.66 0.24 0.00 0.00 0.00 0.00 53.44 52.92 2jws n ALA 26 Cb 0.40 -2.58 0.57 0.00 0.00 0.00 0.00 19.45 17.83 2jws n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jws h GLU 27 N 13.21 0.00 -0.98 0.00 4.39 -1.98 -0.82 114.58 128.41 2jws h GLU 27 Ca -0.06 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.83 2jws h GLU 27 Cb 1.22 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.69 2jws h GLU 27 CO 1.37 0.00 -0.26 1.17 -1.16 0.00 0.00 179.01 180.13 2jws n LYS 28 N -3.40 -0.11 0.08 2.33 0.00 -1.26 0.24 118.16 116.04 2jws n LYS 28 Ca 0.16 1.52 0.00 0.00 0.00 0.00 0.00 58.31 59.99 2jws n LYS 28 Cb 1.12 -2.27 0.32 0.00 0.00 0.00 0.00 35.03 34.20 2jws n LYS 28 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2jws h TYR 29 N 0.00 0.34 -0.01 5.64 -1.99 -1.51 -0.70 116.97 118.73 2jws h TYR 29 Ca 0.45 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.13 2jws h TYR 29 Cb 0.69 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.33 2jws h TYR 29 CO -0.77 0.48 0.02 0.97 -0.00 0.00 0.00 178.16 178.86 2jws h ILE 30 N 0.29 0.62 0.00 -2.88 2.10 0.30 -0.79 117.51 117.16 2jws h ILE 30 Ca 0.05 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.75 2jws h ILE 30 Cb 0.48 0.99 0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2jws h ILE 30 CO 0.03 0.00 -1.00 0.50 -1.08 0.00 0.00 178.15 176.61 2jws h LYS 31 N 0.00 0.55 -0.34 2.19 3.64 0.06 0.94 116.57 123.62 2jws h LYS 31 Ca 0.01 -0.60 0.01 0.00 -1.27 0.00 0.00 60.65 58.80 2jws h LYS 31 Cb 0.04 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2jws h LYS 31 CO -0.00 1.22 0.22 -0.07 -2.27 0.00 0.00 179.45 178.55 2jws h LEU 32 N 0.31 0.35 0.04 5.20 3.38 -0.99 0.28 115.31 123.87 2jws h LEU 32 Ca -0.10 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.54 2jws h LEU 32 Cb 1.64 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2jws h LEU 32 CO 0.18 0.25 -1.74 2.30 0.09 0.00 0.00 178.44 179.52 2jws n ILE 33 N -4.49 1.62 0.20 1.22 -5.35 -1.06 -3.36 119.36 108.14 2jws n ILE 33 Ca 0.02 -0.32 0.13 0.00 -0.27 0.00 0.00 62.75 62.31 2jws n ILE 33 Cb 0.10 -1.88 0.71 0.00 -1.74 0.00 0.00 39.64 36.84 2jws n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws h ALA 34 N -0.32 2.02 0.00 -1.28 0.00 0.11 0.12 119.26 119.90 2jws h ALA 34 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jws h ALA 34 Cb 1.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2jws h ALA 34 CO -0.12 -0.17 -0.54 -1.71 0.00 0.00 0.00 179.25 176.70 2jws n ASN 35 N -4.32 0.57 0.00 0.00 2.85 0.96 -5.02 115.26 110.29 2jws n ASN 35 Ca 0.00 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2jws n ASN 35 Cb 0.23 0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.41 2jws n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jws n ALA 36 N -1.67 0.00 0.00 5.20 0.00 0.42 -4.91 120.51 119.56 2jws n ALA 36 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jws n ALA 36 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2jws n ALA 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jws n LYS 37 N 13.83 0.00 -3.31 0.00 4.81 -1.26 -4.77 118.16 127.45 2jws n LYS 37 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2jws n LYS 37 Cb 0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 35.03 34.92 2jws n LYS 37 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2jws s THR 38 N -2.50 0.01 0.29 3.15 -4.23 -1.26 -5.01 115.64 106.09 2jws s THR 38 Ca 0.00 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2jws s THR 38 Cb 0.00 -0.96 0.42 0.00 1.34 0.00 0.00 72.50 73.30 2jws s THR 38 CO 0.00 -0.92 1.57 1.62 -0.54 0.00 0.00 174.62 176.35 2jws h VAL 39 N 4.81 0.04 -0.62 2.29 3.04 -1.95 1.14 116.25 125.00 2jws h VAL 39 Ca 0.17 -0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.84 2jws h VAL 39 Cb 0.97 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.25 2jws h VAL 39 CO 0.27 0.00 0.33 -0.33 -1.01 0.00 0.00 177.57 176.83 2jws h GLU 40 N 0.01 0.88 -0.21 4.17 5.08 -1.98 -2.71 114.58 119.82 2jws h GLU 40 Ca 0.53 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2jws h GLU 40 Cb 0.97 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2jws h GLU 40 CO -0.95 0.68 -0.01 0.78 -1.00 0.00 0.00 179.01 178.51 2jws h GLY 41 N 0.85 0.41 -0.47 -3.84 0.00 0.49 -1.58 103.07 98.93 2jws h GLY 41 Ca 0.22 -0.31 0.28 0.00 0.00 0.00 0.00 47.33 47.52 2jws h GLY 41 CO -0.03 0.28 0.42 -2.08 0.00 0.00 0.00 176.54 175.14 2jws h VAL 42 N 0.12 0.32 0.00 4.60 2.07 0.86 2.30 116.25 126.53 2jws h VAL 42 Ca 0.06 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 2jws h VAL 42 Cb 0.43 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2jws h VAL 42 CO 0.01 0.05 -0.85 -0.25 0.02 0.00 0.00 177.57 176.56 2jws h TRP 43 N 0.29 0.03 0.00 1.57 7.01 -1.29 -2.79 115.95 120.77 2jws h TRP 43 Ca 0.65 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.60 2jws h TRP 43 Cb 1.40 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.45 2jws h TRP 43 CO -0.12 0.86 -0.22 1.15 -2.79 0.00 0.00 178.44 177.31 2jws h THR 44 N 0.01 0.85 -0.78 2.65 2.02 0.19 -2.63 112.91 115.22 2jws h THR 44 Ca -0.01 -1.70 0.19 0.00 0.77 0.00 0.00 66.41 65.66 2jws h THR 44 Cb 1.49 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 69.53 2jws h THR 44 CO 0.11 0.29 0.54 -0.07 0.37 0.00 0.00 175.52 176.76 2jws h LEU 45 N -1.00 0.21 0.47 2.58 -0.00 0.32 0.87 115.31 118.76 2jws h LEU 45 Ca -0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2jws h LEU 45 Cb 0.63 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2jws h LEU 45 CO -0.03 0.10 -0.23 0.50 -0.00 0.00 0.00 178.44 178.78 2jws h LYS 46 N 0.22 -0.61 -0.33 1.13 3.11 -1.60 0.59 116.57 119.08 2jws h LYS 46 Ca 0.39 0.04 0.05 0.00 -2.81 0.00 0.00 60.65 58.32 2jws h LYS 46 Cb 1.19 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.54 2jws h LYS 46 CO -0.08 -0.41 0.23 -0.44 -2.81 0.00 0.00 179.45 175.94 2jws h ASP 47 N -1.09 0.21 0.11 4.20 3.32 -0.96 -0.74 116.42 121.46 2jws h ASP 47 Ca -0.06 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2jws h ASP 47 Cb 0.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2jws h ASP 47 CO 0.11 0.14 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.63 2jws h GLU 48 N 0.24 -0.15 -0.12 3.56 4.81 0.74 -2.66 114.58 121.00 2jws h GLU 48 Ca 0.15 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2jws h GLU 48 Cb 0.28 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2jws h GLU 48 CO -0.03 0.29 0.19 0.97 -0.73 0.00 0.00 179.01 179.70 2jws h ILE 49 N -0.93 0.33 0.10 2.32 6.09 0.50 0.22 117.51 126.13 2jws h ILE 49 Ca -0.02 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.21 2jws h ILE 49 Cb 0.51 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2jws h ILE 49 CO 0.03 0.00 -1.17 0.25 -3.07 0.00 0.00 178.15 174.19 2jws h LEU 50 N 0.00 0.43 -1.68 2.19 5.85 -1.17 -3.18 115.31 117.75 2jws h LEU 50 Ca 0.06 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2jws h LEU 50 Cb 0.43 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2jws h LEU 50 CO -0.00 1.31 0.00 0.74 -0.34 0.00 0.00 178.44 180.15 2jws h THR 51 N 0.10 0.00 -0.44 1.05 2.02 -0.21 0.38 112.91 115.81 2jws h THR 51 Ca -0.12 -0.24 -0.26 0.00 0.77 0.00 0.00 66.41 66.56 2jws h THR 51 Cb 1.87 1.11 -0.13 0.00 -1.74 0.00 0.00 68.15 69.26 2jws h THR 51 CO 0.19 0.00 0.33 2.22 0.37 0.00 0.00 175.52 178.64 2jws n PHE 52 N -2.78 1.39 0.00 3.16 -1.74 -1.02 -4.51 117.46 111.97 2jws n PHE 52 Ca -0.00 -1.45 0.00 0.00 -0.56 0.00 0.00 57.45 55.44 2jws n PHE 52 Cb 0.19 -0.72 0.00 0.00 1.52 0.00 0.00 39.48 40.47 2jws n PHE 52 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2jws n THR 53 N 0.05 0.00 -2.80 1.97 -1.04 -1.09 -5.10 114.28 106.28 2jws n THR 53 Ca 0.27 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.27 2jws n THR 53 Cb 0.83 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.33 2jws n THR 53 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jws n VAL 54 N 0.00 -9.80 -3.62 12.58 0.31 0.13 -4.97 118.33 112.96 2jws n VAL 54 Ca 0.00 1.73 -0.27 0.00 -0.01 0.00 0.00 64.34 65.79 2jws n VAL 54 Cb 0.00 -5.86 -0.10 0.00 -0.91 0.00 0.00 33.84 26.97 2jws n VAL 54 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2jws n THR 55 N 1.20 1.63 1.68 2.52 -1.04 -1.26 -5.10 114.28 113.91 2jws n THR 55 Ca -0.11 -4.88 0.13 0.00 -2.04 0.00 0.00 64.05 57.16 2jws n THR 55 Cb 0.25 -2.10 0.80 0.00 -1.82 0.00 0.00 70.33 67.45 2jws n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64