#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5x h VAL 4 N 0.00 1.20 -0.93 9.51 -1.51 -2.06 -0.98 116.25 121.48 1i5x h VAL 4 Ca 0.00 -0.66 0.01 0.00 -1.23 0.00 0.00 66.70 64.82 1i5x h VAL 4 Cb 0.00 1.15 -0.05 0.00 -2.13 0.00 0.00 31.29 30.27 1i5x h VAL 4 CO 0.00 0.21 0.62 -0.61 -1.23 0.00 0.00 177.57 176.56 1i5x h GLN 5 N 0.25 1.23 -0.32 5.19 5.75 -2.06 -1.92 115.11 123.23 1i5x h GLN 5 Ca 0.08 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 1i5x h GLN 5 Cb 0.26 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1i5x h GLN 5 CO -0.00 0.81 -0.38 0.37 -2.65 0.00 0.00 178.83 176.98 1i5x h GLN 6 N 1.26 0.76 -0.13 1.69 5.75 -1.94 -2.23 115.11 120.27 1i5x h GLN 6 Ca 0.34 -0.38 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 1i5x h GLN 6 Cb -0.14 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1i5x h GLN 6 CO -0.08 1.01 -0.26 1.96 -2.65 0.00 0.00 178.83 178.81 1i5x h GLN 7 N 0.62 0.22 -0.47 1.69 4.20 -0.67 -1.39 115.11 119.31 1i5x h GLN 7 Ca 0.05 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1i5x h GLN 7 Cb 0.93 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1i5x h GLN 7 CO 0.08 0.47 -0.19 -0.91 -0.67 0.00 0.00 178.83 177.62 1i5x h ASN 8 N 0.20 0.98 -0.50 1.46 2.35 -1.12 -1.47 115.58 117.49 1i5x h ASN 8 Ca 0.03 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1i5x h ASN 8 Cb 0.57 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1i5x h ASN 8 CO 0.04 1.15 0.26 0.78 -1.65 0.00 0.00 177.43 178.01 1i5x h ASN 9 N 0.80 0.63 -0.75 5.81 -0.26 -0.90 -0.59 115.58 120.33 1i5x h ASN 9 Ca 0.11 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1i5x h ASN 9 Cb 0.76 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 1i5x h ASN 9 CO 0.06 0.55 0.27 -0.07 -1.06 0.00 0.00 177.43 177.19 1i5x h LEU 10 N 0.66 1.05 -0.74 1.61 3.38 -1.13 -1.14 115.31 118.99 1i5x h LEU 10 Ca 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1i5x h LEU 10 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1i5x h LEU 10 CO -0.03 0.95 0.24 0.25 0.09 0.00 0.00 178.44 179.95 1i5x h LEU 11 N 1.09 1.07 -1.06 1.67 5.85 -1.00 -1.15 115.31 121.79 1i5x h LEU 11 Ca 0.25 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1i5x h LEU 11 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1i5x h LEU 11 CO -0.02 0.99 0.32 0.03 -0.34 0.00 0.00 178.44 179.42 1i5x h ARG 12 N 1.10 0.99 -0.43 1.25 3.08 -0.53 -0.22 114.38 119.62 1i5x h ARG 12 Ca 0.24 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1i5x h ARG 12 Cb 0.30 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1i5x h ARG 12 CO -0.01 0.77 0.08 0.00 -1.07 0.00 0.00 179.97 179.74 1i5x h ALA 13 N 1.37 0.57 -0.81 0.04 0.00 -0.70 -1.27 119.26 118.46 1i5x h ALA 13 Ca 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1i5x h ALA 13 Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1i5x h ALA 13 CO -0.03 0.28 0.39 0.82 0.00 0.00 0.00 179.25 180.71 1i5x h ILE 14 N 0.56 1.25 -0.61 0.00 2.04 -0.78 0.84 117.51 120.82 1i5x h ILE 14 Ca 0.13 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1i5x h ILE 14 Cb 0.36 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1i5x h ILE 14 CO 0.01 0.30 0.25 -0.33 0.00 0.00 0.00 178.15 178.38 1i5x h GLU 15 N 1.14 0.90 -0.31 2.37 5.08 -0.80 -0.47 114.58 122.48 1i5x h GLU 15 Ca 0.28 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1i5x h GLU 15 Cb 0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1i5x h GLU 15 CO -0.04 0.76 -0.33 0.00 -1.00 0.00 0.00 179.01 178.40 1i5x h ALA 16 N 1.10 0.84 -0.00 3.43 0.00 -0.81 -2.42 119.26 121.40 1i5x h ALA 16 Ca 0.20 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1i5x h ALA 16 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1i5x h ALA 16 CO -0.02 0.64 -0.39 1.96 0.00 0.00 0.00 179.25 181.44 1i5x h GLN 17 N 0.57 0.00 -0.50 0.00 4.20 -0.56 -1.77 115.11 117.05 1i5x h GLN 17 Ca 0.06 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1i5x h GLN 17 Cb 0.84 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1i5x h GLN 17 CO 0.07 0.39 -0.07 0.37 -0.67 0.00 0.00 178.83 178.92 1i5x h GLN 18 N 0.00 0.90 -0.51 1.46 5.75 -0.69 0.12 115.11 122.14 1i5x h GLN 18 Ca -0.00 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 1i5x h GLN 18 Cb 0.69 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1i5x h GLN 18 CO 0.05 0.93 0.27 0.45 -2.65 0.00 0.00 178.83 177.89 1i5x h HIS 19 N 0.81 0.70 -0.79 3.99 3.86 -0.94 -0.61 115.15 122.18 1i5x h HIS 19 Ca 0.14 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1i5x h HIS 19 Cb 0.58 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 1i5x h HIS 19 CO 0.03 0.52 0.48 -0.07 0.86 0.00 0.00 177.93 179.76 1i5x h LEU 20 N 0.68 0.94 -0.67 2.43 3.38 -0.78 -1.28 115.31 120.00 1i5x h LEU 20 Ca 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1i5x h LEU 20 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1i5x h LEU 20 CO -0.03 0.73 0.40 -0.07 0.09 0.00 0.00 178.44 179.57 1i5x h LEU 21 N 1.08 0.81 -1.22 1.67 3.38 -0.34 -1.23 115.31 119.45 1i5x h LEU 21 Ca 0.28 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1i5x h LEU 21 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1i5x h LEU 21 CO -0.05 0.63 -0.36 1.56 0.09 0.00 0.00 178.44 180.31 1i5x h GLN 22 N 0.91 0.06 -0.42 1.13 1.08 -0.63 -0.67 115.11 116.57 1i5x h GLN 22 Ca 0.24 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1i5x h GLN 22 Cb -0.03 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1i5x h GLN 22 CO -0.05 0.41 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.95 1i5x h LEU 23 N 0.05 0.92 -0.79 1.46 3.38 -0.67 -1.21 115.31 118.45 1i5x h LEU 23 Ca 0.00 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 1i5x h LEU 23 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1i5x h LEU 23 CO 0.05 1.13 -0.24 0.71 0.09 0.00 0.00 178.44 180.18 1i5x h THR 24 N 0.71 1.27 -0.25 0.22 1.35 -0.74 -1.23 112.91 114.24 1i5x h THR 24 Ca 0.09 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1i5x h THR 24 Cb 0.79 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1i5x h THR 24 CO 0.07 0.43 0.12 0.58 -0.25 0.00 0.00 175.52 176.47 1i5x h VAL 25 N 0.57 1.14 -0.59 6.82 2.07 -0.94 -0.64 116.25 124.68 1i5x h VAL 25 Ca 0.08 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1i5x h VAL 25 Cb 0.71 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1i5x h VAL 25 CO 0.05 0.14 0.37 -0.25 0.02 0.00 0.00 177.57 177.90 1i5x h TRP 26 N 0.27 0.70 -0.65 1.57 7.01 -1.05 -0.37 115.95 123.43 1i5x h TRP 26 Ca 0.09 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1i5x h TRP 26 Cb 0.11 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1i5x h TRP 26 CO -0.02 0.41 0.41 0.78 -2.79 0.00 0.00 178.44 177.22 1i5x h GLY 27 N 0.74 0.93 1.03 2.65 0.00 -0.85 -1.58 103.07 105.99 1i5x h GLY 27 Ca 0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1i5x h GLY 27 CO -0.08 0.36 0.23 -2.22 0.00 0.00 0.00 176.54 174.83 1i5x h ILE 28 N 0.88 1.25 -0.78 2.60 2.04 -0.64 -2.32 117.51 120.53 1i5x h ILE 28 Ca 0.23 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1i5x h ILE 28 Cb -0.05 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1i5x h ILE 28 CO -0.05 0.33 0.40 0.11 0.00 0.00 0.00 178.15 178.94 1i5x h LYS 29 N 0.97 1.10 -0.58 2.37 1.57 -0.61 -0.04 116.57 121.35 1i5x h LYS 29 Ca 0.22 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1i5x h LYS 29 Cb 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1i5x h LYS 29 CO -0.01 0.83 0.07 1.96 -0.57 0.00 0.00 179.45 181.73 1i5x h GLN 30 N 1.10 0.97 -0.75 3.15 1.08 -1.01 0.12 115.11 119.77 1i5x h GLN 30 Ca 0.27 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1i5x h GLN 30 Cb 0.07 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1i5x h GLN 30 CO -0.04 0.94 0.26 -0.07 -0.95 0.00 0.00 178.83 178.97 1i5x h LEU 31 N 0.87 1.07 -0.36 1.46 3.38 -1.01 -1.12 115.31 119.60 1i5x h LEU 31 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1i5x h LEU 31 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1i5x h LEU 31 CO 0.02 0.98 0.13 1.56 0.09 0.00 0.00 178.44 181.21 1i5x h GLN 32 N 1.11 0.56 0.00 1.13 4.20 -0.60 -2.83 115.11 118.68 1i5x h GLN 32 Ca 0.25 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1i5x h GLN 32 Cb 0.28 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1i5x h GLN 32 CO -0.01 0.56 -0.17 0.00 -0.67 0.00 0.00 178.83 178.54 1i5x h ALA 33 N 0.97 1.57 0.00 3.87 0.00 -0.49 -2.27 119.26 122.91 1i5x h ALA 33 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1i5x h ALA 33 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i5x h ALA 33 CO -0.01 0.21 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 1i5x h ALA 34 N 1.83 1.17 0.00 0.00 0.00 -0.95 -2.80 119.26 118.51 1i5x h ALA 34 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1i5x h ALA 34 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i5x h ALA 34 CO 0.02 0.20 -1.01 -1.13 0.00 0.00 0.00 179.25 177.34 1i5x n SER 35 N -3.54 0.68 0.00 0.00 3.41 -0.86 -5.07 113.62 108.24 1i5x n SER 35 Ca -0.01 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1i5x n SER 35 Cb 0.31 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1i5x n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i5x n GLY 36 N 1.28 -0.35 3.73 5.00 0.00 -1.06 -5.12 105.19 108.67 1i5x n GLY 36 Ca 0.01 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 1i5x n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i5x s GLY 37 N 0.00 2.69 -0.19 -0.02 0.00 -1.26 -4.21 107.32 104.33 1i5x s GLY 37 Ca 0.00 1.07 0.14 0.00 0.00 0.00 0.00 44.72 45.93 1i5x s GLY 37 CO 0.00 1.48 1.63 0.54 0.00 0.00 0.00 173.10 176.75 1i5x n ARG 38 N -2.04 4.33 -0.29 2.90 1.74 -1.26 -4.60 116.66 117.44 1i5x n ARG 38 Ca 0.15 -2.85 0.15 0.00 -0.77 0.00 0.00 57.85 54.53 1i5x n ARG 38 Cb 0.49 -2.12 0.42 0.00 -1.02 0.00 0.00 32.46 30.23 1i5x n ARG 38 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1i5x h GLY 39 N 4.17 1.24 1.89 -0.13 0.00 -2.00 -0.12 103.07 108.12 1i5x h GLY 39 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1i5x h GLY 39 CO 0.39 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.55 1i5x n GLY 40 N -1.44 -1.01 1.26 4.60 0.00 -1.26 -2.70 105.19 104.64 1i5x n GLY 40 Ca 0.20 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1i5x n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1i5x n TRP 41 N -1.45 1.27 0.17 1.61 5.03 -0.06 -4.60 117.44 119.41 1i5x n TRP 41 Ca 0.05 -0.71 0.03 0.00 3.03 0.00 0.00 57.50 59.89 1i5x n TRP 41 Cb 0.18 -0.29 0.38 0.00 -1.03 0.00 0.00 31.31 30.55 1i5x n TRP 41 CO 0.00 0.00 0.00 0.52 -0.03 0.00 0.00 177.69 178.18 1i5x h MET 42 N 2.96 0.08 0.07 -0.99 2.86 -1.59 0.62 114.93 118.95 1i5x h MET 42 Ca 0.00 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.37 1i5x h MET 42 Cb 1.45 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 33.13 1i5x h MET 42 CO 0.25 0.36 -0.98 1.49 1.06 0.00 0.00 176.91 179.08 1i5x h GLU 43 N 0.07 0.54 -0.58 1.72 4.57 -1.86 -1.54 114.58 117.50 1i5x h GLU 43 Ca 0.01 -0.68 0.03 0.00 -1.18 0.00 0.00 59.36 57.54 1i5x h GLU 43 Cb 0.53 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 1i5x h GLU 43 CO 0.04 1.28 0.35 2.35 -1.18 0.00 0.00 179.01 181.85 1i5x h TRP 44 N 0.11 0.66 -0.42 0.92 7.01 -1.82 0.64 115.95 123.05 1i5x h TRP 44 Ca -0.14 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.88 1i5x h TRP 44 Cb 1.68 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.51 1i5x h TRP 44 CO 0.13 0.38 0.27 -0.44 -2.79 0.00 0.00 178.44 176.00 1i5x h ASP 45 N 0.70 0.48 -0.42 2.65 3.32 -0.86 -0.43 116.42 121.86 1i5x h ASP 45 Ca 0.23 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1i5x h ASP 45 Cb 0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1i5x h ASP 45 CO -0.10 0.36 0.27 -0.09 -1.72 0.00 0.00 179.24 177.96 1i5x h ARG 46 N 0.56 0.57 -0.40 3.56 2.43 -0.53 0.14 114.38 120.71 1i5x h ARG 46 Ca 0.15 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1i5x h ARG 46 Cb -0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1i5x h ARG 46 CO -0.03 0.40 0.20 0.93 -1.51 0.00 0.00 179.97 179.95 1i5x h GLU 47 N 0.57 0.57 -0.37 0.20 5.08 -0.63 -0.07 114.58 119.94 1i5x h GLU 47 Ca 0.15 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1i5x h GLU 47 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1i5x h GLU 47 CO -0.03 0.49 0.22 0.82 -1.00 0.00 0.00 179.01 179.51 1i5x h ILE 48 N 0.51 1.13 -0.90 3.13 2.04 -0.80 -0.81 117.51 121.81 1i5x h ILE 48 Ca 0.14 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1i5x h ILE 48 Cb 0.11 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1i5x h ILE 48 CO -0.02 0.13 0.59 0.78 0.00 0.00 0.00 178.15 179.63 1i5x h ASN 49 N 0.48 1.00 -0.07 1.72 2.35 -0.45 -0.69 115.58 119.91 1i5x h ASN 49 Ca 0.13 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1i5x h ASN 49 Cb 0.02 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1i5x h ASN 49 CO -0.02 0.71 0.01 0.78 -1.65 0.00 0.00 177.43 177.26 1i5x h ASN 50 N 1.18 0.12 -0.14 5.81 -0.26 -0.62 -1.00 115.58 120.66 1i5x h ASN 50 Ca 0.34 -0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1i5x h ASN 50 Cb -0.08 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1i5x h ASN 50 CO -0.09 0.36 -0.06 1.88 -1.06 0.00 0.00 177.43 178.46 1i5x h TYR 51 N -0.13 0.46 -0.47 1.19 0.05 -0.96 -0.86 116.97 116.24 1i5x h TYR 51 Ca 0.02 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1i5x h TYR 51 Cb 0.29 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1i5x h TYR 51 CO 0.02 0.50 -0.03 1.15 -1.05 0.00 0.00 178.16 178.75 1i5x h THR 52 N 0.42 1.25 -0.47 -2.88 2.02 -0.96 -0.20 112.91 112.07 1i5x h THR 52 Ca 0.09 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 1i5x h THR 52 Cb 0.37 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1i5x h THR 52 CO 0.02 0.37 0.07 0.28 0.37 0.00 0.00 175.52 176.63 1i5x h SER 53 N 0.74 0.75 -0.10 4.18 0.02 -0.27 0.09 113.55 118.96 1i5x h SER 53 Ca 0.14 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1i5x h SER 53 Cb 0.50 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1i5x h SER 53 CO 0.03 0.83 0.06 -0.07 -1.14 0.00 0.00 176.83 176.53 1i5x h LEU 54 N 0.65 0.10 -0.72 5.07 3.38 -0.82 -1.30 115.31 121.67 1i5x h LEU 54 Ca 0.14 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1i5x h LEU 54 Cb 0.40 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1i5x h LEU 54 CO 0.01 0.07 0.43 0.40 0.09 0.00 0.00 178.44 179.45 1i5x h ILE 55 N 0.13 1.21 -0.76 1.22 2.04 -0.81 -1.28 117.51 119.26 1i5x h ILE 55 Ca 0.04 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1i5x h ILE 55 Cb -0.01 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 1i5x h ILE 55 CO -0.02 0.22 0.45 0.45 0.00 0.00 0.00 178.15 179.25 1i5x h HIS 56 N 0.99 0.82 -0.51 1.37 3.86 -0.65 0.60 115.15 121.63 1i5x h HIS 56 Ca 0.26 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1i5x h HIS 56 Cb -0.03 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1i5x h HIS 56 CO -0.01 0.41 0.17 0.77 0.86 0.00 0.00 177.93 180.12 1i5x h SER 57 N 0.82 0.74 -0.54 2.45 0.02 -0.60 -0.19 113.55 116.25 1i5x h SER 57 Ca 0.33 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1i5x h SER 57 Cb 0.18 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1i5x h SER 57 CO -0.18 0.74 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.15 1i5x h LEU 58 N 0.70 0.98 -0.53 5.07 3.38 -0.69 0.38 115.31 124.59 1i5x h LEU 58 Ca 0.17 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1i5x h LEU 58 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1i5x h LEU 58 CO -0.01 1.05 0.02 0.40 0.09 0.00 0.00 178.44 179.99 1i5x h ILE 59 N 0.91 1.26 -0.52 1.22 2.04 -0.65 0.11 117.51 121.88 1i5x h ILE 59 Ca 0.16 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 1i5x h ILE 59 Cb 0.57 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1i5x h ILE 59 CO 0.03 0.38 0.22 -0.08 0.00 0.00 0.00 178.15 178.71 1i5x h GLU 60 N 0.80 0.77 -0.52 2.37 4.57 -0.76 -2.21 114.58 119.60 1i5x h GLU 60 Ca 0.15 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1i5x h GLU 60 Cb 0.50 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1i5x h GLU 60 CO 0.02 0.66 0.08 1.49 -1.18 0.00 0.00 179.01 180.09 1i5x h GLU 61 N 0.70 0.86 0.00 1.92 4.81 -0.70 -2.59 114.58 119.57 1i5x h GLU 61 Ca 0.18 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1i5x h GLU 61 Cb 0.17 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1i5x h GLU 61 CO -0.02 0.85 -0.05 0.77 -0.73 0.00 0.00 179.01 179.83 1i5x h SER 62 N 0.74 0.00 -0.01 1.04 0.02 -0.57 -3.51 113.55 111.26 1i5x h SER 62 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1i5x h SER 62 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1i5x h SER 62 CO 0.01 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.75