#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z54 h GLU 2 N 0.00 0.00 -6.65 2.12 4.39 -1.93 -3.49 114.58 109.02 1z54 h GLU 2 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 1z54 h GLU 2 Cb 0.00 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.47 1z54 h GLU 2 CO 0.00 0.00 -0.79 -1.54 -1.16 0.00 0.00 179.01 175.52 1z54 s SER 3 N -4.61 3.88 -0.08 1.42 1.04 -1.04 -4.99 113.70 109.32 1z54 s SER 3 Ca -0.06 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1z54 s SER 3 Cb 0.01 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.61 1z54 s SER 3 CO 0.10 0.15 -0.17 -0.69 0.98 0.00 0.00 173.24 173.61 1z54 s VAL 4 N -1.35 1.50 -0.20 5.02 1.01 -1.26 -1.45 120.40 123.67 1z54 s VAL 4 Ca 0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1z54 s VAL 4 Cb -0.10 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1z54 s VAL 4 CO 0.11 0.44 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 1z54 s THR 5 N 0.48 2.55 -0.03 3.92 2.01 0.31 -4.92 115.64 119.96 1z54 s THR 5 Ca -0.15 -0.78 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 1z54 s THR 5 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1z54 s THR 5 CO 0.05 0.49 0.67 -0.13 -0.69 0.00 0.00 174.62 175.01 1z54 s ARG 6 N 1.36 4.41 -0.11 4.92 0.52 -1.26 -0.58 118.95 128.21 1z54 s ARG 6 Ca 0.05 0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 56.10 1z54 s ARG 6 Cb -0.14 -3.41 0.03 0.00 0.52 0.00 0.00 34.95 31.96 1z54 s ARG 6 CO -0.09 0.19 -0.04 0.42 0.02 0.00 0.00 175.30 175.80 1z54 s ILE 7 N 0.39 0.76 -0.22 1.52 1.01 0.16 -4.96 121.20 119.86 1z54 s ILE 7 Ca 0.35 -0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 1z54 s ILE 7 Cb -0.18 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1z54 s ILE 7 CO 0.18 0.26 0.96 -0.75 0.00 0.00 0.00 174.94 175.59 1z54 s LYS 8 N 1.81 4.24 0.29 2.79 2.20 -1.26 -0.20 119.74 129.61 1z54 s LYS 8 Ca 0.04 1.21 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 1z54 s LYS 8 Cb -0.13 -3.63 -0.12 0.00 -1.51 0.00 0.00 37.83 32.43 1z54 s LYS 8 CO -0.07 -0.56 1.51 0.28 -0.36 0.00 0.00 175.35 176.14 1z54 n VAL 9 N 5.23 1.21 -3.93 4.02 0.31 -0.83 -4.99 118.33 119.35 1z54 n VAL 9 Ca 0.09 -0.30 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 1z54 n VAL 9 Cb 0.47 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 1z54 n VAL 9 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1z54 s ARG 10 N -0.79 3.39 0.22 5.55 0.52 -1.26 -4.52 118.95 122.05 1z54 s ARG 10 Ca 0.63 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 55.52 1z54 s ARG 10 Cb -0.54 -3.11 0.34 0.00 0.52 0.00 0.00 34.95 32.15 1z54 s ARG 10 CO 0.52 0.74 1.69 -0.92 0.02 0.00 0.00 175.30 177.35 1z54 h TYR 11 N 4.58 0.19 -0.13 -0.53 3.20 -1.98 -0.07 116.97 122.22 1z54 h TYR 11 Ca -0.53 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.42 1z54 h TYR 11 Cb 1.21 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1z54 h TYR 11 CO 0.72 -0.06 0.24 0.00 -1.64 0.00 0.00 178.16 177.41 1z54 h ALA 12 N 1.53 1.59 -0.00 1.82 0.00 -2.03 -1.70 119.26 120.47 1z54 h ALA 12 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1z54 h ALA 12 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1z54 h ALA 12 CO -0.45 -0.31 -0.16 0.39 0.00 0.00 0.00 179.25 178.72 1z54 n GLU 13 N -3.42 0.27 -2.94 0.00 1.02 -0.04 -4.88 120.64 110.65 1z54 n GLU 13 Ca 0.01 -0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.74 1z54 n GLU 13 Cb 0.34 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1z54 n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1z54 s THR 14 N -2.79 4.53 0.00 2.62 -4.23 -0.64 -0.78 115.64 114.36 1z54 s THR 14 Ca 0.19 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1z54 s THR 14 Cb 0.19 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1z54 s THR 14 CO 0.55 -0.28 0.00 -0.90 -0.54 0.00 0.00 174.62 173.45 1z54 n ASP 15 N -0.57 0.46 0.18 3.99 5.68 0.17 -4.74 116.55 121.73 1z54 n ASP 15 Ca 0.05 -0.95 0.02 0.00 -0.50 0.00 0.00 54.79 53.41 1z54 n ASP 15 Cb 0.54 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.86 1z54 n ASP 15 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1z54 h GLN 16 N 0.00 0.00 0.00 0.11 4.20 -1.99 -2.06 115.11 115.37 1z54 h GLN 16 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1z54 h GLN 16 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1z54 h GLN 16 CO 0.00 0.40 0.00 -1.33 -0.67 0.00 0.00 178.83 177.23 1z54 n MET 17 N -4.05 0.74 -1.56 1.46 2.81 -1.26 -4.88 117.12 110.38 1z54 n MET 17 Ca -0.02 0.01 -0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1z54 n MET 17 Cb 0.43 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1z54 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1z54 n GLY 18 N 0.57 0.38 3.32 3.03 0.00 -0.77 -5.06 105.19 106.66 1z54 n GLY 18 Ca 0.18 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 1z54 n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1z54 s VAL 19 N -2.02 0.67 0.14 1.61 -7.23 -1.26 -4.76 120.40 107.56 1z54 s VAL 19 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 1z54 s VAL 19 Cb 0.00 -2.55 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 1z54 s VAL 19 CO 0.00 -0.10 1.56 -0.69 -0.31 0.00 0.00 175.10 175.56 1z54 s VAL 20 N -3.67 2.79 0.32 1.32 1.01 -0.77 0.46 120.40 121.86 1z54 s VAL 20 Ca 0.35 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 1z54 s VAL 20 Cb 0.07 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 1z54 s VAL 20 CO 0.12 0.03 1.46 -2.28 0.00 0.00 0.00 175.10 174.43 1z54 s HIS 21 N 1.42 2.83 0.59 5.22 2.46 0.04 -4.80 115.29 123.05 1z54 s HIS 21 Ca 0.70 1.11 0.29 0.00 0.47 0.00 0.00 55.06 57.62 1z54 s HIS 21 Cb -0.42 -3.91 1.53 0.00 -0.13 0.00 0.00 32.58 29.65 1z54 s HIS 21 CO 0.31 -2.79 1.96 1.12 -2.47 0.00 0.00 174.74 172.87 1z54 h HIS 22 N 3.96 0.00 0.00 3.88 2.07 -1.91 0.99 115.15 124.13 1z54 h HIS 22 Ca -0.48 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.99 1z54 h HIS 22 Cb 1.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.20 1z54 h HIS 22 CO 0.57 0.00 -0.20 0.66 -3.07 0.00 0.00 177.93 175.89 1z54 h SER 23 N 0.00 0.00 0.10 3.10 4.64 -1.97 -3.14 113.55 116.28 1z54 h SER 23 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1z54 h SER 23 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1z54 h SER 23 CO -0.00 0.20 -0.24 0.58 -0.87 0.00 0.00 176.83 176.50 1z54 h VAL 24 N 0.00 1.23 -0.87 0.95 2.07 -1.15 -3.17 116.25 115.31 1z54 h VAL 24 Ca -0.00 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 66.57 1z54 h VAL 24 Cb 0.89 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 1z54 h VAL 24 CO 0.03 0.33 0.56 1.88 0.02 0.00 0.00 177.57 180.39 1z54 h TYR 25 N 0.23 0.82 -0.21 1.57 0.05 -1.64 0.95 116.97 118.72 1z54 h TYR 25 Ca 0.04 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1z54 h TYR 25 Cb 0.55 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1z54 h TYR 25 CO 0.01 0.32 0.02 0.00 -1.05 0.00 0.00 178.16 177.46 1z54 h ALA 26 N 1.60 1.65 -0.37 3.88 0.00 -1.76 0.12 119.26 124.37 1z54 h ALA 26 Ca 0.43 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1z54 h ALA 26 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1z54 h ALA 26 CO -0.19 0.27 -0.36 0.28 0.00 0.00 0.00 179.25 179.25 1z54 h VAL 27 N 0.30 1.28 -0.77 0.00 2.07 -0.99 -0.92 116.25 117.21 1z54 h VAL 27 Ca 0.07 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1z54 h VAL 27 Cb 0.17 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1z54 h VAL 27 CO 0.00 0.51 0.35 1.88 0.02 0.00 0.00 177.57 180.33 1z54 h TYR 28 N 0.70 1.13 -0.77 1.57 0.99 -0.73 -0.10 116.97 119.76 1z54 h TYR 28 Ca 0.06 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1z54 h TYR 28 Cb 0.95 -0.35 -0.03 0.00 1.00 0.00 0.00 36.73 38.30 1z54 h TYR 28 CO 0.07 0.84 0.35 -0.07 -0.00 0.00 0.00 178.16 179.35 1z54 h LEU 29 N 1.10 1.01 -0.44 3.88 3.38 -0.60 -1.71 115.31 121.93 1z54 h LEU 29 Ca 0.26 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1z54 h LEU 29 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1z54 h LEU 29 CO -0.03 0.87 0.12 -0.08 0.09 0.00 0.00 178.44 179.41 1z54 h GLU 30 N 1.08 0.69 -0.62 1.13 4.81 -0.58 0.11 114.58 121.20 1z54 h GLU 30 Ca 0.26 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1z54 h GLU 30 Cb 0.14 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1z54 h GLU 30 CO -0.03 0.68 0.40 0.00 -0.73 0.00 0.00 179.01 179.33 1z54 h ALA 31 N 0.97 0.80 -0.40 2.92 0.00 -0.77 0.13 119.26 122.92 1z54 h ALA 31 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1z54 h ALA 31 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1z54 h ALA 31 CO -0.00 0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.44 1z54 h ALA 32 N 1.25 0.54 -0.38 0.00 0.00 -1.08 -0.71 119.26 118.89 1z54 h ALA 32 Ca 0.24 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1z54 h ALA 32 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1z54 h ALA 32 CO -0.08 0.30 0.23 -0.09 0.00 0.00 0.00 179.25 179.62 1z54 h ARG 33 N 0.53 0.46 -0.83 0.00 2.43 -0.34 0.35 114.38 116.98 1z54 h ARG 33 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1z54 h ARG 33 Cb 0.45 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1z54 h ARG 33 CO 0.02 0.30 0.48 0.28 -1.51 0.00 0.00 179.97 179.54 1z54 h VAL 34 N 0.47 1.24 -0.52 0.20 2.07 -0.55 -0.75 116.25 118.42 1z54 h VAL 34 Ca 0.14 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1z54 h VAL 34 Cb -0.02 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1z54 h VAL 34 CO -0.05 0.25 0.04 -0.78 0.02 0.00 0.00 177.57 177.05 1z54 h ASP 35 N 1.14 0.86 0.15 0.57 3.58 -0.77 -0.92 116.42 121.03 1z54 h ASP 35 Ca 0.29 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1z54 h ASP 35 Cb -0.01 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1z54 h ASP 35 CO -0.05 0.93 -0.15 0.15 -2.88 0.00 0.00 179.24 177.24 1z54 h PHE 36 N 0.76 -0.40 -0.95 0.28 3.04 -0.43 0.33 116.94 119.57 1z54 h PHE 36 Ca 0.15 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.12 1z54 h PHE 36 Cb 0.47 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.08 1z54 h PHE 36 CO 0.03 -0.23 0.63 -0.07 -2.02 0.00 0.00 178.31 176.65 1z54 h LEU 37 N -0.33 1.08 0.30 0.59 3.38 -1.05 -1.73 115.31 117.56 1z54 h LEU 37 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1z54 h LEU 37 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1z54 h LEU 37 CO -0.05 0.77 -0.15 -0.08 0.09 0.00 0.00 178.44 179.03 1z54 h GLU 38 N 1.27 -0.39 -0.59 1.13 4.81 -0.79 0.26 114.58 120.28 1z54 h GLU 38 Ca 0.36 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.79 1z54 h GLU 38 Cb -0.11 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1z54 h GLU 38 CO -0.09 -0.12 0.49 0.00 -0.73 0.00 0.00 179.01 178.56 1z54 h ARG 39 N -0.64 0.00 -0.05 1.92 3.08 -0.71 0.80 114.38 118.78 1z54 h ARG 39 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1z54 h ARG 39 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1z54 h ARG 39 CO 0.07 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1z54 n ALA 40 N -2.54 2.58 -1.00 0.04 0.00 -0.67 -4.86 120.51 114.06 1z54 n ALA 40 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1z54 n ALA 40 Cb 0.72 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1z54 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z54 n GLY 41 N 0.89 0.44 2.60 0.00 0.00 0.28 -4.98 105.19 104.42 1z54 n GLY 41 Ca 0.14 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1z54 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1z54 n LEU 42 N 0.00 3.28 -4.69 0.99 4.32 0.88 -5.00 117.00 116.77 1z54 n LEU 42 Ca 0.00 -5.04 -0.58 0.00 -0.02 0.00 0.00 56.01 50.37 1z54 n LEU 42 Cb 0.04 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 41.67 1z54 n LEU 42 CO 0.00 2.16 1.22 -0.81 -1.22 0.00 0.00 177.39 178.73 1z54 n PRO 43 N -0.18 0.98 0.14 3.23 -0.04 -1.23 -3.97 135.00 133.93 1z54 n PRO 43 Ca 0.28 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1z54 n PRO 43 Cb 0.61 -2.01 0.65 0.00 -0.04 0.00 0.00 33.50 32.70 1z54 n PRO 43 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1z54 h TYR 44 N 6.40 0.04 -0.27 0.54 3.20 -1.86 -1.82 116.97 123.19 1z54 h TYR 44 Ca -0.46 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.31 1z54 h TYR 44 Cb 1.33 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1z54 h TYR 44 CO 0.72 0.02 -0.23 1.12 -1.64 0.00 0.00 178.16 178.15 1z54 h HIS 45 N 0.04 0.57 -0.01 -3.82 2.07 -1.97 -2.13 115.15 109.89 1z54 h HIS 45 Ca 0.11 -0.12 -0.15 0.00 -2.85 0.00 0.00 60.37 57.36 1z54 h HIS 45 Cb 0.38 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 1z54 h HIS 45 CO -0.00 0.70 -0.69 0.00 -3.07 0.00 0.00 177.93 174.87 1z54 h ARG 46 N 0.45 0.06 -0.00 5.12 3.08 -1.70 -2.44 114.38 118.96 1z54 h ARG 46 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1z54 h ARG 46 Cb 0.65 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1z54 h ARG 46 CO 0.05 0.73 0.00 0.28 -1.07 0.00 0.00 179.97 179.96 1z54 h VAL 47 N 0.04 1.17 0.00 2.04 2.07 -1.15 -2.64 116.25 117.79 1z54 h VAL 47 Ca -0.01 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1z54 h VAL 47 Cb 1.23 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1z54 h VAL 47 CO 0.10 0.13 -0.13 -0.33 0.02 0.00 0.00 177.57 177.36 1z54 h GLU 48 N -0.21 0.00 0.00 1.57 5.08 -1.20 -1.12 114.58 118.71 1z54 h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z54 h GLU 48 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1z54 h GLU 48 CO -0.00 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1z54 n ALA 49 N -2.25 1.67 0.08 3.43 0.00 -0.92 -1.11 120.51 121.40 1z54 n ALA 49 Ca -0.01 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1z54 n ALA 49 Cb 0.27 -1.40 0.24 0.00 0.00 0.00 0.00 19.45 18.56 1z54 n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1z54 n ARG 50 N -2.28 2.55 -2.33 0.00 1.74 -0.47 -4.93 116.66 110.95 1z54 n ARG 50 Ca 0.02 -2.37 -0.05 0.00 -0.77 0.00 0.00 57.85 54.68 1z54 n ARG 50 Cb 0.24 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1z54 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1z54 n GLY 51 N 1.48 0.32 3.22 -0.13 0.00 -0.27 -4.93 105.19 104.88 1z54 n GLY 51 Ca 0.20 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1z54 n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z54 s VAL 52 N -2.53 1.99 0.09 1.61 1.01 -0.92 -2.20 120.40 119.45 1z54 s VAL 52 Ca 0.05 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1z54 s VAL 52 Cb -0.02 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1z54 s VAL 52 CO 0.06 0.55 -0.11 -0.36 0.00 0.00 0.00 175.10 175.23 1z54 s PHE 53 N 0.26 1.10 -0.59 5.22 0.08 0.26 -2.73 117.98 121.58 1z54 s PHE 53 Ca -0.16 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.38 1z54 s PHE 53 Cb -0.17 -0.60 0.29 0.00 -0.57 0.00 0.00 43.02 41.97 1z54 s PHE 53 CO 0.08 0.02 0.83 1.19 -0.10 0.00 0.00 175.22 177.24 1z54 n PHE 54 N 0.84 3.54 -1.91 0.36 0.99 -1.26 -0.24 117.46 119.78 1z54 n PHE 54 Ca -0.18 -4.05 -0.37 0.00 -0.00 0.00 0.00 57.45 52.85 1z54 n PHE 54 Cb 0.56 -0.51 0.05 0.00 -1.00 0.00 0.00 39.48 38.57 1z54 n PHE 54 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1z54 s PRO 55 N -2.87 2.85 -0.13 -1.08 0.04 -1.21 -4.77 135.00 127.83 1z54 s PRO 55 Ca 0.44 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1z54 s PRO 55 Cb 0.22 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1z54 s PRO 55 CO -0.07 -1.33 0.98 0.08 0.04 0.00 0.00 177.00 176.69 1z54 s VAL 56 N -1.49 4.79 -0.06 -0.36 1.01 -1.26 -2.46 120.40 120.57 1z54 s VAL 56 Ca 0.79 1.97 0.15 0.00 0.00 0.00 0.00 61.98 64.88 1z54 s VAL 56 Cb -0.34 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.53 1z54 s VAL 56 CO 0.37 -0.00 0.35 1.33 0.00 0.00 0.00 175.10 177.14 1z54 n VAL 57 N 4.63 0.00 -3.68 2.92 0.24 0.51 -4.97 118.33 117.98 1z54 n VAL 57 Ca 0.08 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1z54 n VAL 57 Cb 0.49 0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 1z54 n VAL 57 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1z54 s GLU 58 N -3.00 0.66 0.05 7.34 2.12 -1.11 -4.97 118.70 119.78 1z54 s GLU 58 Ca -0.05 0.79 0.06 0.00 0.36 0.00 0.00 54.97 56.13 1z54 s GLU 58 Cb 0.10 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 1z54 s GLU 58 CO 0.62 -0.08 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.93 1z54 s LEU 59 N 0.31 2.20 -0.14 2.70 2.96 -1.26 -0.72 118.68 124.73 1z54 s LEU 59 Ca -0.00 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1z54 s LEU 59 Cb -0.04 -0.70 0.05 0.00 0.50 0.00 0.00 46.19 46.00 1z54 s LEU 59 CO 0.01 0.05 0.34 -0.83 -1.32 0.00 0.00 176.35 174.59 1z54 s GLY 60 N -1.35 -0.24 -0.02 7.98 0.00 -0.84 -4.99 107.32 107.86 1z54 s GLY 60 Ca 0.03 1.29 -0.01 0.00 0.00 0.00 0.00 44.72 46.02 1z54 s GLY 60 CO 0.02 1.53 0.05 1.08 0.00 0.00 0.00 173.10 175.78 1z54 s LEU 61 N 1.41 1.44 -0.18 0.66 1.43 -1.26 -1.34 118.68 120.83 1z54 s LEU 61 Ca -0.09 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1z54 s LEU 61 Cb -0.09 0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.24 1z54 s LEU 61 CO -0.11 -0.07 -0.18 -0.89 0.23 0.00 0.00 176.35 175.33 1z54 s THR 62 N 0.54 1.98 -0.32 5.49 2.01 0.26 -4.99 115.64 120.61 1z54 s THR 62 Ca -0.04 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.82 1z54 s THR 62 Cb -0.06 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 1z54 s THR 62 CO -0.02 0.45 0.45 -0.36 -0.69 0.00 0.00 174.62 174.45 1z54 s PHE 63 N 1.31 3.21 -0.26 4.92 0.08 -1.26 -1.11 117.98 124.85 1z54 s PHE 63 Ca 0.03 0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.27 1z54 s PHE 63 Cb -0.14 -2.77 -0.16 0.00 -0.57 0.00 0.00 43.02 39.38 1z54 s PHE 63 CO -0.12 -0.43 -0.25 0.54 -0.10 0.00 0.00 175.22 174.86 1z54 n ARG 64 N 5.55 0.63 -3.81 0.44 5.12 0.10 -4.97 116.66 119.73 1z54 n ARG 64 Ca -0.07 0.18 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 1z54 n ARG 64 Cb 0.49 -1.52 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1z54 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1z54 s ALA 65 N -2.52 -0.57 0.59 7.54 0.00 0.52 -5.01 121.76 122.31 1z54 s ALA 65 Ca -0.36 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 1z54 s ALA 65 Cb 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1z54 s ALA 65 CO 0.57 -0.21 1.00 -1.25 0.00 0.00 0.00 175.76 175.87 1z54 s PRO 66 N -1.06 3.65 0.11 0.00 0.04 -1.26 -4.43 135.00 132.05 1z54 s PRO 66 Ca -0.11 0.73 0.05 0.00 0.04 0.00 0.00 61.00 61.70 1z54 s PRO 66 Cb -0.05 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1z54 s PRO 66 CO 0.02 -0.49 0.04 0.00 0.04 0.00 0.00 177.00 176.62 1z54 s ALA 67 N -3.05 3.40 0.10 8.56 0.00 -1.26 -5.00 121.76 124.51 1z54 s ALA 67 Ca 0.55 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1z54 s ALA 67 Cb -0.11 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1z54 s ALA 67 CO 0.50 0.65 -0.08 1.03 0.00 0.00 0.00 175.76 177.86 1z54 s ARG 68 N -2.56 0.85 0.24 0.00 0.52 -1.26 -1.85 118.95 114.89 1z54 s ARG 68 Ca 0.28 -1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 1z54 s ARG 68 Cb -0.11 -0.32 -0.10 0.00 0.52 0.00 0.00 34.95 34.93 1z54 s ARG 68 CO 0.20 0.01 1.52 0.12 0.02 0.00 0.00 175.30 177.17 1z54 s PHE 69 N -3.26 2.97 0.00 -0.53 2.19 -1.26 -1.64 117.98 116.45 1z54 s PHE 69 Ca 0.10 0.85 0.00 0.00 0.33 0.00 0.00 56.93 58.21 1z54 s PHE 69 Cb 0.03 -3.91 0.00 0.00 -1.31 0.00 0.00 43.02 37.82 1z54 s PHE 69 CO -0.03 -3.12 0.00 0.41 1.83 0.00 0.00 175.22 174.31 1z54 n GLY 70 N 2.63 2.21 3.90 13.12 0.00 -1.26 -5.08 105.19 120.71 1z54 n GLY 70 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1z54 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1z54 s GLU 71 N -0.45 2.74 -0.06 1.61 2.02 -0.65 -5.02 118.70 118.90 1z54 s GLU 71 Ca 0.00 -1.32 0.05 0.00 0.02 0.00 0.00 54.97 53.72 1z54 s GLU 71 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 1z54 s GLU 71 CO 0.00 -0.03 -0.19 0.08 0.02 0.00 0.00 175.26 175.14 1z54 s VAL 72 N -2.34 1.64 0.15 2.63 1.01 -1.26 -1.96 120.40 120.27 1z54 s VAL 72 Ca 0.45 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1z54 s VAL 72 Cb -0.06 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1z54 s VAL 72 CO 0.28 0.46 -0.10 0.68 0.00 0.00 0.00 175.10 176.43 1z54 s VAL 73 N 0.08 3.23 -0.14 2.92 -7.23 0.72 -4.78 120.40 115.21 1z54 s VAL 73 Ca -0.07 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1z54 s VAL 73 Cb -0.13 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1z54 s VAL 73 CO 0.04 -0.03 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.07 1z54 s GLU 74 N -2.61 3.42 -0.24 4.82 2.02 0.51 0.40 118.70 127.02 1z54 s GLU 74 Ca 0.23 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 1z54 s GLU 74 Cb -0.10 -2.68 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1z54 s GLU 74 CO 0.14 0.20 -0.06 0.08 0.02 0.00 0.00 175.26 175.64 1z54 s VAL 75 N 0.40 2.91 -0.22 2.63 1.01 0.25 -0.55 120.40 126.82 1z54 s VAL 75 Ca -0.09 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 1z54 s VAL 75 Cb -0.16 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1z54 s VAL 75 CO 0.05 0.23 0.30 -0.13 0.00 0.00 0.00 175.10 175.55 1z54 s ARG 76 N 1.34 4.12 0.02 2.72 0.52 0.21 -0.53 118.95 127.35 1z54 s ARG 76 Ca 0.01 -0.00 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1z54 s ARG 76 Cb -0.16 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 1z54 s ARG 76 CO -0.05 -0.02 -0.12 -0.08 0.02 0.00 0.00 175.30 175.05 1z54 s THR 77 N 1.27 0.97 0.06 0.02 -1.32 -0.53 -1.44 115.64 114.68 1z54 s THR 77 Ca 0.14 -0.82 -0.05 0.00 -1.21 0.00 0.00 61.69 59.75 1z54 s THR 77 Cb -0.14 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1z54 s THR 77 CO 0.07 0.06 0.09 0.00 -2.21 0.00 0.00 174.62 172.62 1z54 s ARG 78 N -0.86 0.68 -0.60 7.08 1.70 -0.99 -2.50 118.95 123.45 1z54 s ARG 78 Ca 0.02 -0.96 -0.23 0.00 -0.47 0.00 0.00 55.73 54.09 1z54 s ARG 78 Cb -0.07 0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.63 1z54 s ARG 78 CO 0.01 -0.17 0.91 -1.17 -1.08 0.00 0.00 175.30 173.79 1z54 s LEU 79 N -2.59 4.38 0.11 -1.89 2.96 -1.26 -1.92 118.68 118.47 1z54 s LEU 79 Ca 0.02 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1z54 s LEU 79 Cb 0.03 -2.57 -0.21 0.00 0.50 0.00 0.00 46.19 43.95 1z54 s LEU 79 CO -0.08 -1.29 1.24 0.00 -1.32 0.00 0.00 176.35 174.90 1z54 h ALA 80 N 9.39 0.27 -3.69 5.97 0.00 -1.00 -3.42 119.26 126.78 1z54 h ALA 80 Ca -0.28 -0.87 -0.23 0.00 0.00 0.00 0.00 54.91 53.53 1z54 h ALA 80 Cb 1.08 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.51 1z54 h ALA 80 CO 1.12 1.08 -0.71 -1.21 0.00 0.00 0.00 179.25 179.52 1z54 s GLU 81 N -2.77 0.00 -0.13 0.00 2.02 -0.85 -4.89 118.70 112.09 1z54 s GLU 81 Ca -0.02 0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.96 1z54 s GLU 81 Cb 0.09 -0.02 0.07 0.00 0.10 0.00 0.00 34.13 34.36 1z54 s GLU 81 CO 0.85 -0.02 0.20 -1.17 0.02 0.00 0.00 175.26 175.14 1z54 s LEU 82 N 0.10 -0.13 0.00 1.80 2.96 -1.26 -0.83 118.68 121.32 1z54 s LEU 82 Ca -0.01 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1z54 s LEU 82 Cb -0.01 0.39 -0.00 0.00 0.50 0.00 0.00 46.19 47.07 1z54 s LEU 82 CO -0.00 -0.27 0.01 -1.54 -1.32 0.00 0.00 176.35 173.23 1z54 n SER 83 N 5.33 2.55 0.21 3.68 3.41 0.08 -5.01 113.62 123.86 1z54 n SER 83 Ca -0.05 -2.26 0.07 0.00 -0.26 0.00 0.00 58.87 56.37 1z54 n SER 83 Cb 0.50 0.26 0.43 0.00 -0.26 0.00 0.00 64.21 65.14 1z54 n SER 83 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1z54 h SER 84 N 0.73 0.00 0.00 4.04 4.64 -1.99 -3.30 113.55 117.67 1z54 h SER 84 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1z54 h SER 84 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1z54 h SER 84 CO 0.38 0.30 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 1z54 n ARG 85 N -3.59 -0.32 -3.88 4.77 1.74 -1.26 0.82 116.66 114.95 1z54 n ARG 85 Ca -0.01 -0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 56.55 1z54 n ARG 85 Cb 0.43 -0.93 -0.07 0.00 -1.02 0.00 0.00 32.46 30.87 1z54 n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1z54 s ALA 86 N -0.08 -0.19 0.02 7.54 0.00 -1.25 -2.57 121.76 125.24 1z54 s ALA 86 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1z54 s ALA 86 Cb 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1z54 s ALA 86 CO 0.00 -0.55 0.02 -0.51 0.00 0.00 0.00 175.76 174.71 1z54 s LEU 87 N -2.89 2.08 -0.12 0.00 1.02 -0.66 -0.74 118.68 117.37 1z54 s LEU 87 Ca 0.08 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.72 1z54 s LEU 87 Cb 0.04 0.27 0.04 0.00 0.02 0.00 0.00 46.19 46.57 1z54 s LEU 87 CO -0.08 -0.36 0.05 -0.22 0.02 0.00 0.00 176.35 175.76 1z54 s LEU 88 N -1.63 0.53 -0.01 1.79 1.98 -0.01 -0.04 118.68 121.29 1z54 s LEU 88 Ca -0.13 -0.36 -0.04 0.00 -2.89 0.00 0.00 54.13 50.71 1z54 s LEU 88 Cb -0.07 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.40 1z54 s LEU 88 CO -0.02 -0.28 0.20 -0.36 -1.89 0.00 0.00 176.35 174.01 1z54 s PHE 89 N 2.05 3.56 -0.01 5.38 0.40 -0.49 -0.30 117.98 128.56 1z54 s PHE 89 Ca 0.03 0.42 0.07 0.00 -0.60 0.00 0.00 56.93 56.84 1z54 s PHE 89 Cb -0.14 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1z54 s PHE 89 CO -0.06 0.64 -0.22 1.03 0.70 0.00 0.00 175.22 177.31 1z54 s ARG 90 N -1.88 1.72 0.09 0.44 0.52 -0.81 -1.51 118.95 117.52 1z54 s ARG 90 Ca 0.27 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1z54 s ARG 90 Cb -0.13 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 1z54 s ARG 90 CO 0.18 0.46 -0.09 0.71 0.02 0.00 0.00 175.30 176.58 1z54 s TYR 91 N -0.54 0.97 -0.08 -0.53 1.51 0.85 -2.34 117.35 117.17 1z54 s TYR 91 Ca 0.08 -0.69 -0.00 0.00 -1.01 0.00 0.00 57.07 55.46 1z54 s TYR 91 Cb -0.08 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1z54 s TYR 91 CO -0.01 -0.04 -0.06 1.03 -1.11 0.00 0.00 175.55 175.37 1z54 s ARG 92 N -2.83 1.19 -0.30 -0.62 0.52 -0.52 -1.72 118.95 114.67 1z54 s ARG 92 Ca 0.04 -0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 55.03 1z54 s ARG 92 Cb -0.02 -1.27 0.00 0.00 0.52 0.00 0.00 34.95 34.18 1z54 s ARG 92 CO -0.01 -0.21 0.10 0.08 0.02 0.00 0.00 175.30 175.28 1z54 s VAL 93 N 1.51 4.16 0.30 3.52 1.01 0.08 -0.62 120.40 130.37 1z54 s VAL 93 Ca -0.00 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1z54 s VAL 93 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1z54 s VAL 93 CO -0.04 0.10 0.16 -1.83 0.00 0.00 0.00 175.10 173.48 1z54 s GLU 94 N 1.54 1.59 -0.20 2.72 -1.05 0.29 0.79 118.70 124.38 1z54 s GLU 94 Ca 0.03 -1.91 -0.04 0.00 -0.15 0.00 0.00 54.97 52.90 1z54 s GLU 94 Cb -0.17 -0.10 0.08 0.00 -0.44 0.00 0.00 34.13 33.50 1z54 s GLU 94 CO 0.03 -0.45 0.17 0.50 0.95 0.00 0.00 175.26 176.47 1z54 s ARG 95 N -3.82 0.15 -1.16 -4.83 3.52 -0.14 -0.36 118.95 112.32 1z54 s ARG 95 Ca 0.36 0.05 -0.21 0.00 -0.13 0.00 0.00 55.73 55.80 1z54 s ARG 95 Cb 0.05 -1.40 -0.00 0.00 -1.56 0.00 0.00 34.95 32.03 1z54 s ARG 95 CO 0.17 -0.69 0.77 0.39 -0.81 0.00 0.00 175.30 175.13 1z54 n GLU 96 N 5.30 -1.24 0.00 5.12 1.02 -1.26 -1.76 120.64 127.81 1z54 n GLU 96 Ca -0.06 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1z54 n GLU 96 Cb 0.49 -4.00 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 1z54 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z54 n GLY 97 N -1.73 2.90 3.67 0.62 0.00 -1.26 -4.99 105.19 104.40 1z54 n GLY 97 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1z54 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z54 s VAL 98 N -0.84 4.93 0.06 1.61 1.01 -0.72 -5.02 120.40 121.42 1z54 s VAL 98 Ca 0.00 1.49 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 1z54 s VAL 98 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1z54 s VAL 98 CO 0.00 0.06 1.20 -0.22 0.00 0.00 0.00 175.10 176.14 1z54 s LEU 99 N 2.04 4.37 -0.25 3.92 2.96 -1.26 -0.96 118.68 129.49 1z54 s LEU 99 Ca 0.35 2.01 0.03 0.00 -0.22 0.00 0.00 54.13 56.30 1z54 s LEU 99 Cb -0.16 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 42.77 1z54 s LEU 99 CO 0.12 -0.48 -0.19 0.18 -1.32 0.00 0.00 176.35 174.66 1z54 n LEU 100 N 3.99 2.75 -3.60 -0.68 4.77 0.24 -4.10 117.00 120.36 1z54 n LEU 100 Ca 0.09 -0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1z54 n LEU 100 Cb 0.46 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1z54 n LEU 100 CO 0.56 0.90 0.72 0.00 -1.33 0.00 0.00 177.39 178.24 1z54 s ALA 101 N -2.52 -1.78 -0.01 -1.18 0.00 -0.98 0.02 121.76 115.31 1z54 s ALA 101 Ca -0.33 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 1z54 s ALA 101 Cb 0.09 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1z54 s ALA 101 CO 0.62 -0.83 0.17 -1.83 0.00 0.00 0.00 175.76 173.89 1z54 s GLU 102 N -3.14 0.46 0.00 0.00 -1.05 -0.27 -0.74 118.70 113.96 1z54 s GLU 102 Ca 0.08 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1z54 s GLU 102 Cb -0.01 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1z54 s GLU 102 CO -0.05 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.47 1z54 n GLY 103 N 1.70 1.77 3.44 -3.83 0.00 -0.70 -0.57 105.19 107.00 1z54 n GLY 103 Ca -0.21 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1z54 n GLY 103 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1z54 s PHE 104 N -6.02 -0.34 -0.03 1.61 -0.12 -0.45 -0.11 117.98 112.52 1z54 s PHE 104 Ca 0.00 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.92 1z54 s PHE 104 Cb 0.00 0.45 0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1z54 s PHE 104 CO 0.00 -0.85 0.03 0.95 -0.05 0.00 0.00 175.22 175.30 1z54 s THR 105 N -3.80 0.01 -0.13 -4.49 -4.23 -0.57 -1.98 115.64 100.45 1z54 s THR 105 Ca 0.04 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1z54 s THR 105 Cb -0.01 -0.18 -0.05 0.00 1.34 0.00 0.00 72.50 73.60 1z54 s THR 105 CO -0.09 0.15 0.24 -0.60 -0.54 0.00 0.00 174.62 173.77 1z54 s ARG 106 N 1.53 3.96 0.14 3.99 6.06 0.11 -1.40 118.95 133.34 1z54 s ARG 106 Ca -0.03 0.02 0.07 0.00 -2.50 0.00 0.00 55.73 53.29 1z54 s ARG 106 Cb -0.13 -3.33 -0.04 0.00 0.06 0.00 0.00 34.95 31.52 1z54 s ARG 106 CO -0.03 0.47 -0.15 -1.01 -2.50 0.00 0.00 175.30 172.08 1z54 s HIS 107 N -0.22 1.52 0.41 5.12 3.76 0.94 -0.36 115.29 126.46 1z54 s HIS 107 Ca 0.16 -0.54 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1z54 s HIS 107 Cb -0.13 -0.78 -0.06 0.00 1.11 0.00 0.00 32.58 32.73 1z54 s HIS 107 CO 0.04 0.20 0.14 -0.51 -0.85 0.00 0.00 174.74 173.76 1z54 s LEU 108 N -2.57 3.06 -0.15 0.89 1.43 -1.03 -1.66 118.68 118.65 1z54 s LEU 108 Ca 0.12 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1z54 s LEU 108 Cb -0.05 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 1z54 s LEU 108 CO 0.04 -0.53 -0.12 0.00 0.23 0.00 0.00 176.35 175.97 1z54 s GLN 110 N 0.57 3.30 -0.20 0.00 0.74 0.67 -1.24 119.66 123.50 1z54 s GLN 110 Ca -0.08 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.61 1z54 s GLN 110 Cb -0.15 -2.62 0.05 0.00 1.10 0.00 0.00 33.01 31.39 1z54 s GLN 110 CO 0.03 0.13 -0.02 0.54 -0.55 0.00 0.00 175.29 175.42 1z54 s VAL 111 N 0.54 1.07 -0.95 1.34 0.11 -0.70 0.92 120.40 122.72 1z54 s VAL 111 Ca -0.09 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.10 1z54 s VAL 111 Cb -0.16 -1.38 -0.06 0.00 -1.53 0.00 0.00 36.38 33.26 1z54 s VAL 111 CO 0.04 -0.06 0.83 0.61 -3.33 0.00 0.00 175.10 173.20 1z54 n GLY 112 N 4.86 -0.91 3.94 6.54 0.00 -0.94 -3.59 105.19 115.10 1z54 n GLY 112 Ca -0.11 0.47 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 1z54 n GLY 112 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1z54 n GLU 113 N -3.11 -4.34 -3.64 1.61 4.07 -1.26 -4.98 120.64 108.99 1z54 n GLU 113 Ca -0.08 0.51 -0.10 0.00 -0.06 0.00 0.00 57.16 57.43 1z54 n GLU 113 Cb 0.61 -5.09 -0.07 0.00 -0.06 0.00 0.00 31.44 26.83 1z54 n GLU 113 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1z54 s ARG 114 N -6.53 0.57 0.21 5.31 1.70 -1.24 -5.13 118.95 113.85 1z54 s ARG 114 Ca 0.36 0.70 -0.31 0.00 -0.47 0.00 0.00 55.73 56.01 1z54 s ARG 114 Cb -0.19 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 1z54 s ARG 114 CO 0.86 -0.07 1.50 0.00 -1.08 0.00 0.00 175.30 176.51 1z54 s ALA 115 N 0.37 3.70 0.35 7.88 0.00 -1.26 -1.73 121.76 131.07 1z54 s ALA 115 Ca 0.01 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 1z54 s ALA 115 Cb -0.05 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1z54 s ALA 115 CO -0.06 -0.77 0.67 0.00 0.00 0.00 0.00 175.76 175.60 1z54 s ALA 116 N 0.50 -0.38 0.58 0.00 0.00 -0.37 -4.90 121.76 117.19 1z54 s ALA 116 Ca 0.64 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 1z54 s ALA 116 Cb -0.43 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1z54 s ALA 116 CO 0.38 -0.93 1.11 1.03 0.00 0.00 0.00 175.76 177.35 1z54 s ARG 117 N -2.86 3.20 0.03 0.00 0.52 -1.26 -4.31 118.95 114.26 1z54 s ARG 117 Ca 0.19 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 56.60 1z54 s ARG 117 Cb -0.04 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.38 1z54 s ARG 117 CO 0.13 -0.95 1.44 0.42 0.02 0.00 0.00 175.30 176.35 1z54 s ILE 118 N -2.01 3.54 0.37 1.52 1.01 0.24 -4.94 121.20 120.93 1z54 s ILE 118 Ca 0.70 0.97 -0.25 0.00 0.00 0.00 0.00 60.65 62.07 1z54 s ILE 118 Cb -0.22 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.50 1z54 s ILE 118 CO 0.32 0.01 0.89 -0.81 0.00 0.00 0.00 174.94 175.35 1z54 n PRO 119 N 5.17 1.13 -0.31 2.79 -0.04 -1.26 -4.54 135.00 137.95 1z54 n PRO 119 Ca 0.13 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.94 1z54 n PRO 119 Cb 0.43 -1.82 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 1z54 n PRO 119 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1z54 h GLU 120 N 1.50 -0.10 -0.50 0.54 4.39 -1.98 0.09 114.58 118.52 1z54 h GLU 120 Ca -0.41 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.32 1z54 h GLU 120 Cb 1.36 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 1z54 h GLU 120 CO 0.57 -0.06 0.33 0.38 -1.16 0.00 0.00 179.01 179.06 1z54 h ASP 121 N -0.10 0.50 0.25 1.42 -0.00 -2.00 0.17 116.42 116.66 1z54 h ASP 121 Ca 0.24 -0.01 -0.28 0.00 -0.00 0.00 0.00 57.03 56.98 1z54 h ASP 121 Cb 0.55 -0.12 0.02 0.00 -0.00 0.00 0.00 39.33 39.78 1z54 h ASP 121 CO -0.84 0.35 -1.19 0.40 -0.00 0.00 0.00 179.24 177.96 1z54 h ILE 122 N 0.58 1.34 -0.15 4.15 2.04 -1.65 -2.90 117.51 120.92 1z54 h ILE 122 Ca 0.20 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.50 1z54 h ILE 122 Cb 0.07 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1z54 h ILE 122 CO -0.05 0.77 0.08 0.22 0.00 0.00 0.00 178.15 179.17 1z54 h TYR 123 N 0.24 0.21 -0.38 1.37 3.20 -0.35 -1.39 116.97 119.88 1z54 h TYR 123 Ca -0.16 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.77 1z54 h TYR 123 Cb 1.86 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 40.01 1z54 h TYR 123 CO 0.10 0.23 0.05 -0.09 -1.64 0.00 0.00 178.16 176.80 1z54 h ARG 124 N 0.14 0.17 -0.50 1.82 2.43 -0.75 0.53 114.38 118.21 1z54 h ARG 124 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1z54 h ARG 124 Cb 0.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1z54 h ARG 124 CO -0.01 0.11 0.04 0.00 -1.51 0.00 0.00 179.97 178.60 1z54 h ALA 125 N 1.30 0.67 -0.30 2.80 0.00 -1.37 -2.91 119.26 119.44 1z54 h ALA 125 Ca 0.18 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1z54 h ALA 125 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1z54 h ALA 125 CO -0.26 0.45 -0.19 -0.07 0.00 0.00 0.00 179.25 179.18 1z54 h LEU 126 N 0.73 0.56 -1.17 0.00 3.38 -0.92 -2.90 115.31 114.98 1z54 h LEU 126 Ca 0.15 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.06 1z54 h LEU 126 Cb 0.47 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1z54 h LEU 126 CO 0.02 0.76 0.59 0.28 0.09 0.00 0.00 178.44 180.18 1z54 h SER 127 N 0.50 0.79 -0.02 -0.43 0.02 -0.69 0.11 113.55 113.82 1z54 h SER 127 Ca 0.08 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1z54 h SER 127 Cb 0.62 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1z54 h SER 127 CO 0.04 0.43 0.02 0.58 -1.14 0.00 0.00 176.83 176.76 1z54 h VAL 128 N 0.85 0.94 0.00 2.27 2.07 -1.50 -1.83 116.25 119.06 1z54 h VAL 128 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1z54 h VAL 128 Cb 0.54 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1z54 h VAL 128 CO -0.21 0.00 -0.64 0.18 0.02 0.00 0.00 177.57 176.91 1z54 n LEU 129 N -4.47 0.64 -4.72 2.57 4.77 0.32 -4.86 117.00 111.25 1z54 n LEU 129 Ca -0.02 0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 1z54 n LEU 129 Cb 0.11 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1z54 n LEU 129 CO 0.33 -0.01 -0.09 -2.28 -1.33 0.00 0.00 177.39 174.02 1z54 s HIS 130 N -3.14 3.43 -0.39 -1.77 2.46 -0.69 -4.59 115.29 110.61 1z54 s HIS 130 Ca 0.07 0.46 -0.26 0.00 0.47 0.00 0.00 55.06 55.80 1z54 s HIS 130 Cb 0.14 -2.27 0.02 0.00 -0.13 0.00 0.00 32.58 30.35 1z54 s HIS 130 CO 0.72 0.24 0.94 -1.17 -2.47 0.00 0.00 174.74 173.01 1z54 s LEU 131 N 0.49 3.97 0.00 8.88 2.96 -1.26 -4.92 118.68 128.80 1z54 s LEU 131 Ca 0.12 0.53 0.32 0.00 -0.22 0.00 0.00 54.13 54.88 1z54 s LEU 131 Cb -0.12 -3.28 1.90 0.00 0.50 0.00 0.00 46.19 45.18 1z54 s LEU 131 CO 0.01 -0.91 2.22 1.17 -1.32 0.00 0.00 176.35 177.53