#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z94 s ASN 3 N 0.00 -0.00 -0.05 2.55 3.84 -0.58 -4.90 114.94 115.79 1z94 s ASN 3 Ca 0.00 -0.02 0.05 0.00 0.21 0.00 0.00 52.86 53.10 1z94 s ASN 3 Cb 0.00 0.14 -0.02 0.00 -0.55 0.00 0.00 41.25 40.82 1z94 s ASN 3 CO 0.00 -0.12 -0.20 -0.89 -2.79 0.00 0.00 177.10 173.11 1z94 s THR 4 N -0.41 2.56 0.07 -5.21 2.01 -1.26 -1.26 115.64 112.13 1z94 s THR 4 Ca -0.05 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.15 1z94 s THR 4 Cb -0.03 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1z94 s THR 4 CO 0.00 0.58 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.63 1z94 s ILE 5 N -0.42 2.01 -0.03 1.82 1.01 -0.13 -4.99 121.20 120.46 1z94 s ILE 5 Ca 0.04 -1.43 0.03 0.00 0.00 0.00 0.00 60.65 59.29 1z94 s ILE 5 Cb -0.12 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1z94 s ILE 5 CO 0.02 0.23 -0.10 -0.13 0.00 0.00 0.00 174.94 174.96 1z94 s ARG 6 N -1.45 1.09 0.03 2.79 0.52 -1.26 -1.22 118.95 119.44 1z94 s ARG 6 Ca 0.11 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 1z94 s ARG 6 Cb -0.10 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 1z94 s ARG 6 CO 0.03 0.12 -0.10 -0.51 0.02 0.00 0.00 175.30 174.86 1z94 s LEU 7 N 0.23 2.15 -0.03 2.53 1.43 0.18 -4.98 118.68 120.18 1z94 s LEU 7 Ca -0.04 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1z94 s LEU 7 Cb -0.09 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.75 1z94 s LEU 7 CO 0.01 -0.02 0.07 -2.28 0.23 0.00 0.00 176.35 174.36 1z94 s HIS 8 N -0.79 -0.07 -0.06 0.29 2.46 -1.26 -0.35 115.29 115.51 1z94 s HIS 8 Ca -0.02 0.22 -0.23 0.00 0.47 0.00 0.00 55.06 55.50 1z94 s HIS 8 Cb -0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 32.58 32.41 1z94 s HIS 8 CO 0.01 -0.06 0.52 1.03 -2.47 0.00 0.00 174.74 173.77 1z94 s ARG 9 N 0.34 0.84 -0.16 2.88 0.52 -0.17 -5.02 118.95 118.18 1z94 s ARG 9 Ca -0.02 0.19 -0.07 0.00 -0.52 0.00 0.00 55.73 55.30 1z94 s ARG 9 Cb -0.04 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.79 1z94 s ARG 9 CO -0.01 -0.23 0.07 0.08 0.02 0.00 0.00 175.30 175.22 1z94 s VAL 10 N -0.98 4.84 0.05 3.52 1.01 -1.26 -0.31 120.40 127.28 1z94 s VAL 10 Ca -0.10 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1z94 s VAL 10 Cb -0.03 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1z94 s VAL 10 CO 0.06 0.51 -0.24 -0.76 0.00 0.00 0.00 175.10 174.67 1z94 s LEU 11 N -0.03 2.33 -1.27 3.92 1.43 0.49 -4.99 118.68 120.56 1z94 s LEU 11 Ca 0.06 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1z94 s LEU 11 Cb -0.12 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1z94 s LEU 11 CO 0.01 0.25 2.44 -1.20 0.23 0.00 0.00 176.35 178.08 1z94 n SER 12 N 1.60 7.97 -3.64 2.29 7.64 -1.26 -0.80 113.62 127.42 1z94 n SER 12 Ca -0.17 -3.12 -0.13 0.00 1.01 0.00 0.00 58.87 56.46 1z94 n SER 12 Cb 0.52 -1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.30 1z94 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1z94 s ALA 13 N -1.05 -1.12 0.31 -0.43 0.00 -1.25 -4.52 121.76 113.71 1z94 s ALA 13 Ca 0.55 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1z94 s ALA 13 Cb 0.20 0.32 -0.09 0.00 0.00 0.00 0.00 23.12 23.55 1z94 s ALA 13 CO -0.10 -0.45 1.14 -1.25 0.00 0.00 0.00 175.76 175.09 1z94 s PRO 14 N -2.34 4.47 0.33 0.00 0.04 -1.26 -2.09 135.00 134.15 1z94 s PRO 14 Ca -0.06 1.85 0.09 0.00 0.04 0.00 0.00 61.00 62.92 1z94 s PRO 14 Cb -0.01 -3.05 0.97 0.00 0.04 0.00 0.00 34.50 32.46 1z94 s PRO 14 CO -0.01 0.04 1.57 -2.30 0.04 0.00 0.00 177.00 176.34 1z94 n PRO 15 N 0.87 -0.07 -0.25 0.56 -0.02 -1.26 -0.63 135.00 134.19 1z94 n PRO 15 Ca 0.00 1.45 -0.03 0.00 -2.02 0.00 0.00 63.50 62.90 1z94 n PRO 15 Cb 0.45 -2.41 0.14 0.00 -0.02 0.00 0.00 33.50 31.66 1z94 n PRO 15 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1z94 h GLU 16 N 0.00 1.09 -0.44 -0.52 4.57 -1.91 -0.24 114.58 117.13 1z94 h GLU 16 Ca 0.69 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.62 1z94 h GLU 16 Cb 1.60 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1z94 h GLU 16 CO -0.88 0.84 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.63 1z94 h ARG 17 N 1.08 0.83 -0.53 1.92 2.43 -1.25 -1.24 114.38 117.63 1z94 h ARG 17 Ca 0.26 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1z94 h ARG 17 Cb 0.12 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1z94 h ARG 17 CO -0.03 0.93 0.23 0.28 -1.51 0.00 0.00 179.97 179.87 1z94 h VAL 18 N 0.67 1.21 -0.29 0.20 2.07 -1.19 -2.12 116.25 116.79 1z94 h VAL 18 Ca 0.11 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1z94 h VAL 18 Cb 0.61 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1z94 h VAL 18 CO 0.04 0.25 -0.06 0.22 0.02 0.00 0.00 177.57 178.04 1z94 h TYR 19 N 0.72 -0.13 -0.91 1.57 3.20 -0.81 -1.83 116.97 118.79 1z94 h TYR 19 Ca 0.18 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.16 1z94 h TYR 19 Cb 0.17 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1z94 h TYR 19 CO 0.00 -0.11 0.56 -0.09 -1.64 0.00 0.00 178.16 176.88 1z94 h ARG 20 N 0.02 0.93 0.00 1.82 2.43 -0.93 -1.39 114.38 117.26 1z94 h ARG 20 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1z94 h ARG 20 Cb 0.21 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1z94 h ARG 20 CO -0.29 0.61 -0.06 0.00 -1.51 0.00 0.00 179.97 178.73 1z94 h ALA 21 N 1.46 1.15 0.00 2.80 0.00 -0.67 0.85 119.26 124.86 1z94 h ALA 21 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1z94 h ALA 21 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1z94 h ALA 21 CO -0.22 0.07 -0.25 1.19 0.00 0.00 0.00 179.25 180.05 1z94 n PHE 22 N -3.38 0.40 -0.02 0.00 3.72 -0.53 -4.01 117.46 113.65 1z94 n PHE 22 Ca -0.02 0.12 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1z94 n PHE 22 Cb 0.20 -0.62 -0.02 0.00 -0.94 0.00 0.00 39.48 38.10 1z94 n PHE 22 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1z94 n LEU 23 N -1.87 1.39 -4.62 4.37 4.77 -0.81 -4.97 117.00 115.25 1z94 n LEU 23 Ca 0.05 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 1z94 n LEU 23 Cb 0.39 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1z94 n LEU 23 CO 0.32 0.30 1.63 -0.62 -1.33 0.00 0.00 177.39 177.69 1z94 s ASP 24 N -3.85 5.99 0.35 -1.43 3.68 0.23 -4.88 116.67 116.76 1z94 s ASP 24 Ca -0.03 1.96 0.12 0.00 2.13 0.00 0.00 52.55 56.73 1z94 s ASP 24 Cb 0.01 -2.52 0.91 0.00 -1.45 0.00 0.00 42.92 39.87 1z94 s ASP 24 CO 0.11 -1.53 1.78 -0.65 0.13 0.00 0.00 175.17 175.02 1z94 h PRO 25 N 12.60 0.57 -0.22 4.34 0.11 -1.92 0.51 132.00 147.99 1z94 h PRO 25 Ca -0.41 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 1z94 h PRO 25 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1z94 h PRO 25 CO 0.97 0.38 -0.51 -0.07 -0.21 0.00 0.00 178.00 178.56 1z94 h LEU 26 N 0.58 0.68 -0.11 2.35 3.38 -1.97 -1.67 115.31 118.56 1z94 h LEU 26 Ca 0.57 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1z94 h LEU 26 Cb 1.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1z94 h LEU 26 CO -0.33 1.07 -0.29 0.00 0.09 0.00 0.00 178.44 178.98 1z94 h ALA 27 N 0.95 0.18 -0.69 1.53 0.00 -1.46 -3.11 119.26 116.65 1z94 h ALA 27 Ca 0.02 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1z94 h ALA 27 Cb 1.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1z94 h ALA 27 CO 0.10 0.20 0.42 -0.07 0.00 0.00 0.00 179.25 179.90 1z94 h LEU 28 N -0.06 0.67 -2.15 0.00 3.38 -0.94 -0.64 115.31 115.57 1z94 h LEU 28 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1z94 h LEU 28 Cb 0.90 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1z94 h LEU 28 CO 0.06 0.45 -0.05 0.00 0.09 0.00 0.00 178.44 178.99 1z94 h ALA 29 N 1.31 1.58 0.08 1.53 0.00 -1.34 -0.73 119.26 121.70 1z94 h ALA 29 Ca 0.29 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 1z94 h ALA 29 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1z94 h ALA 29 CO -0.13 0.07 -1.36 -0.22 0.00 0.00 0.00 179.25 177.60 1z94 h LYS 30 N 0.00 0.17 0.00 0.00 3.64 -1.13 -3.39 116.57 115.87 1z94 h LYS 30 Ca -0.00 -0.29 -0.18 0.00 -1.27 0.00 0.00 60.65 58.91 1z94 h LYS 30 Cb 0.12 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1z94 h LYS 30 CO 0.01 1.14 -1.94 -2.67 -2.27 0.00 0.00 179.45 173.71 1z94 n TRP 31 N -4.03 0.31 0.15 1.91 4.27 -0.38 -4.64 117.44 115.02 1z94 n TRP 31 Ca -0.27 0.10 -0.14 0.00 -3.89 0.00 0.00 57.50 53.31 1z94 n TRP 31 Cb 0.84 -0.86 -0.08 0.00 -1.36 0.00 0.00 31.31 29.85 1z94 n TRP 31 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1z94 h LEU 32 N 0.00 -0.30 -9.55 5.67 3.38 -1.34 -3.41 115.31 109.77 1z94 h LEU 32 Ca -0.24 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 1z94 h LEU 32 Cb 1.61 0.08 0.03 0.00 0.09 0.00 0.00 40.66 42.47 1z94 h LEU 32 CO 0.02 -0.05 0.84 -2.16 0.09 0.00 0.00 178.44 177.18 1z94 s PRO 33 N -5.31 4.25 1.39 1.13 0.04 -1.26 -4.71 135.00 130.53 1z94 s PRO 33 Ca -0.15 2.23 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1z94 s PRO 33 Cb 0.03 -3.28 0.35 0.00 0.04 0.00 0.00 34.50 31.64 1z94 s PRO 33 CO 0.61 -0.56 0.81 -2.30 0.04 0.00 0.00 177.00 175.59 1z94 n PRO 34 N 4.29 -4.31 -1.78 0.56 -0.02 -1.26 -4.75 135.00 127.74 1z94 n PRO 34 Ca 0.13 -1.27 -0.41 0.00 -2.02 0.00 0.00 63.50 59.93 1z94 n PRO 34 Cb 0.40 -1.88 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1z94 n PRO 34 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1z94 s GLU 35 N -4.77 4.10 0.00 -0.52 2.02 -1.26 -1.70 118.70 116.57 1z94 s GLU 35 Ca 0.63 2.59 0.00 0.00 0.02 0.00 0.00 54.97 58.22 1z94 s GLU 35 Cb -0.13 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1z94 s GLU 35 CO 0.54 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1z94 n GLY 36 N 1.10 1.26 3.49 -1.39 0.00 -1.26 -5.02 105.19 103.37 1z94 n GLY 36 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1z94 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1z94 s PHE 37 N -3.61 2.49 0.29 1.61 0.08 -0.69 -0.80 117.98 117.35 1z94 s PHE 37 Ca 0.00 -0.28 0.10 0.00 0.12 0.00 0.00 56.93 56.86 1z94 s PHE 37 Cb 0.00 -1.28 -0.06 0.00 -0.57 0.00 0.00 43.02 41.12 1z94 s PHE 37 CO 0.00 0.44 -0.13 0.14 -0.10 0.00 0.00 175.22 175.57 1z94 s VAL 38 N -1.40 2.15 -0.03 -0.44 -7.23 -0.43 -4.67 120.40 108.35 1z94 s VAL 38 Ca 0.20 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1z94 s VAL 38 Cb -0.09 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1z94 s VAL 38 CO 0.11 -0.33 -0.11 0.00 -0.31 0.00 0.00 175.10 174.45 1z94 s LYS 40 N 0.21 3.24 -0.32 0.00 2.47 -0.44 -4.84 119.74 120.06 1z94 s LYS 40 Ca -0.05 -0.70 -0.20 0.00 -1.56 0.00 0.00 55.97 53.46 1z94 s LYS 40 Cb -0.10 -2.82 -0.01 0.00 -1.46 0.00 0.00 37.83 33.44 1z94 s LYS 40 CO 0.01 -0.17 0.62 0.08 0.16 0.00 0.00 175.35 176.05 1z94 s VAL 41 N 1.33 4.94 -0.13 4.02 1.01 -1.26 -1.64 120.40 128.67 1z94 s VAL 41 Ca 0.04 0.78 0.09 0.00 0.00 0.00 0.00 61.98 62.89 1z94 s VAL 41 Cb -0.14 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 1z94 s VAL 41 CO -0.06 -0.17 0.34 0.18 0.00 0.00 0.00 175.10 175.39 1z94 n LEU 42 N 5.90 1.21 -3.72 3.92 4.77 0.02 -4.97 117.00 124.12 1z94 n LEU 42 Ca -0.01 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1z94 n LEU 42 Cb 0.49 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1z94 n LEU 42 CO 0.46 0.57 0.12 -0.70 -1.33 0.00 0.00 177.39 176.51 1z94 s GLU 43 N -2.55 0.54 -0.43 3.23 2.12 -0.65 -4.90 118.70 116.06 1z94 s GLU 43 Ca -0.13 0.57 0.08 0.00 0.36 0.00 0.00 54.97 55.85 1z94 s GLU 43 Cb 0.07 0.26 0.30 0.00 0.26 0.00 0.00 34.13 35.02 1z94 s GLU 43 CO 0.79 -0.07 0.84 -2.39 -0.54 0.00 0.00 175.26 173.89 1z94 n HIS 44 N 2.72 -1.67 -2.52 5.30 1.44 -1.25 -0.43 115.22 118.81 1z94 n HIS 44 Ca -0.14 -2.78 -0.40 0.00 -2.01 0.00 0.00 57.72 52.39 1z94 n HIS 44 Cb 0.57 0.68 -0.03 0.00 0.12 0.00 0.00 29.99 31.33 1z94 n HIS 44 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1z94 s ASP 45 N -1.66 6.45 -1.26 4.39 -1.08 0.24 -4.91 116.67 118.84 1z94 s ASP 45 Ca 0.32 -1.63 -0.19 0.00 -0.52 0.00 0.00 52.55 50.53 1z94 s ASP 45 Cb 0.27 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 1z94 s ASP 45 CO -0.12 -1.56 1.84 0.00 0.52 0.00 0.00 175.17 175.85 1z94 n ALA 46 N 9.27 3.20 -3.48 3.66 0.00 -1.26 -3.77 120.51 128.13 1z94 n ALA 46 Ca 0.37 -3.60 -0.13 0.00 0.00 0.00 0.00 53.44 50.09 1z94 n ALA 46 Cb 0.49 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.34 1z94 n ALA 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1z94 s ARG 47 N 4.82 1.06 0.06 0.00 1.70 -1.26 -5.03 118.95 120.29 1z94 s ARG 47 Ca 0.58 -0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.38 1z94 s ARG 47 Cb 0.04 0.49 -0.10 0.00 -0.57 0.00 0.00 34.95 34.82 1z94 s ARG 47 CO 0.09 -0.41 1.94 0.28 -1.08 0.00 0.00 175.30 176.11 1z94 n VAL 48 N 0.16 0.67 0.00 4.99 0.31 -1.26 0.12 118.33 123.32 1z94 n VAL 48 Ca -0.15 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1z94 n VAL 48 Cb 0.61 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 1z94 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1z94 n GLY 49 N 4.48 3.29 3.78 2.92 0.00 -0.01 -5.00 105.19 114.65 1z94 n GLY 49 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1z94 n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1z94 s GLY 50 N -2.87 2.18 0.14 -0.02 0.00 0.12 -4.73 107.32 102.14 1z94 s GLY 50 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.28 1z94 s GLY 50 CO 0.00 0.87 0.16 0.00 0.00 0.00 0.00 173.10 174.12 1z94 s ALA 51 N -2.33 3.66 0.05 3.20 0.00 -1.25 -1.60 121.76 123.50 1z94 s ALA 51 Ca 0.66 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1z94 s ALA 51 Cb -0.19 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1z94 s ALA 51 CO 0.39 0.56 -0.09 1.52 0.00 0.00 0.00 175.76 178.15 1z94 s TYR 52 N -1.68 0.76 0.06 0.00 -0.85 -0.27 -0.59 117.35 114.77 1z94 s TYR 52 Ca 0.32 -0.52 -0.14 0.00 -0.52 0.00 0.00 57.07 56.20 1z94 s TYR 52 Cb -0.11 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.81 1z94 s TYR 52 CO 0.24 -0.07 0.32 0.21 -1.52 0.00 0.00 175.55 174.74 1z94 s LYS 53 N -1.75 0.86 -0.28 -3.49 2.20 0.42 -1.55 119.74 116.15 1z94 s LYS 53 Ca -0.07 -0.54 -0.19 0.00 -0.36 0.00 0.00 55.97 54.81 1z94 s LYS 53 Cb -0.09 0.37 0.12 0.00 -1.51 0.00 0.00 37.83 36.72 1z94 s LYS 53 CO 0.00 -0.29 0.90 -1.83 -0.36 0.00 0.00 175.35 173.77 1z94 s GLU 55 N -2.79 0.53 -0.17 4.03 -1.05 -0.65 -0.80 118.70 117.80 1z94 s GLU 55 Ca -0.03 0.81 -0.10 0.00 -0.15 0.00 0.00 54.97 55.50 1z94 s GLU 55 Cb -0.00 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 1z94 s GLU 55 CO -0.05 -0.09 0.16 -0.06 0.95 0.00 0.00 175.26 176.17 1z94 s PHE 56 N 1.06 3.47 -0.10 4.83 0.08 0.82 -1.33 117.98 126.82 1z94 s PHE 56 Ca -0.06 0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.46 1z94 s PHE 56 Cb -0.04 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1z94 s PHE 56 CO -0.13 0.40 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.66 1z94 s LEU 57 N -0.00 2.04 -0.04 -0.37 2.01 -0.43 -0.30 118.68 121.59 1z94 s LEU 57 Ca 0.11 -0.54 -0.30 0.00 0.01 0.00 0.00 54.13 53.42 1z94 s LEU 57 Cb -0.12 -1.35 -0.04 0.00 0.01 0.00 0.00 46.19 44.69 1z94 s LEU 57 CO 0.01 0.14 1.31 0.00 1.01 0.00 0.00 176.35 178.81 1z94 s ALA 58 N 0.42 3.55 0.17 4.21 0.00 -0.47 -1.31 121.76 128.32 1z94 s ALA 58 Ca -0.17 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 1z94 s ALA 58 Cb -0.18 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.44 1z94 s ALA 58 CO 0.07 -0.88 1.70 0.35 0.00 0.00 0.00 175.76 177.01 1z94 h PHE 59 N 7.74 0.91 -0.35 0.00 3.57 -1.32 0.52 116.94 128.00 1z94 h PHE 59 Ca -0.35 -0.09 -0.17 0.00 3.53 0.00 0.00 57.97 60.89 1z94 h PHE 59 Cb 1.16 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1z94 h PHE 59 CO 0.75 0.75 -0.44 0.00 -2.23 0.00 0.00 178.31 177.14 1z94 h ALA 60 N 1.05 0.53 0.02 2.41 0.00 -1.92 -3.37 119.26 117.98 1z94 h ALA 60 Ca 0.19 -0.47 -0.40 0.00 0.00 0.00 0.00 54.91 54.22 1z94 h ALA 60 Cb 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1z94 h ALA 60 CO -0.01 0.67 -2.36 -1.13 0.00 0.00 0.00 179.25 176.43 1z94 n SER 61 N -4.05 1.98 0.00 0.00 3.41 -1.22 -5.01 113.62 108.73 1z94 n SER 61 Ca -0.03 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1z94 n SER 61 Cb 0.57 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1z94 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z94 n GLY 62 N 1.85 0.62 3.70 5.00 0.00 0.18 -5.02 105.19 111.52 1z94 n GLY 62 Ca -0.46 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1z94 n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1z94 n GLN 63 N -1.46 2.44 -3.33 1.61 7.27 -1.25 -4.57 117.38 118.08 1z94 n GLN 63 Ca 0.00 0.87 -0.31 0.00 0.07 0.00 0.00 57.00 57.63 1z94 n GLN 63 Cb 0.00 -2.65 -0.05 0.00 2.41 0.00 0.00 30.24 29.95 1z94 n GLN 63 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1z94 s LYS 64 N 0.46 3.77 -0.35 3.69 1.02 -1.26 -1.37 119.74 125.70 1z94 s LYS 64 Ca 0.73 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.98 1z94 s LYS 64 Cb -0.58 -2.61 0.15 0.00 -0.52 0.00 0.00 37.83 34.26 1z94 s LYS 64 CO 0.40 0.25 0.34 -1.01 -0.92 0.00 0.00 175.35 174.41 1z94 s HIS 65 N -1.94 -0.21 0.08 3.18 3.76 0.59 -4.97 115.29 115.78 1z94 s HIS 65 Ca 0.47 -0.77 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 1z94 s HIS 65 Cb -0.11 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1z94 s HIS 65 CO 0.24 -0.94 0.30 0.00 -0.85 0.00 0.00 174.74 173.49 1z94 s ALA 66 N 1.61 3.86 0.16 -1.40 0.00 -1.26 -0.13 121.76 124.60 1z94 s ALA 66 Ca 0.15 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 1z94 s ALA 66 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.97 1z94 s ALA 66 CO -0.10 0.70 0.54 -0.59 0.00 0.00 0.00 175.76 176.30 1z94 s PHE 67 N -1.50 -0.35 0.14 0.00 -0.71 -1.26 -2.04 117.98 112.26 1z94 s PHE 67 Ca 0.35 0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 56.07 1z94 s PHE 67 Cb -0.13 0.45 0.08 0.00 -1.21 0.00 0.00 43.02 42.21 1z94 s PHE 67 CO 0.23 -0.84 1.06 0.20 -1.34 0.00 0.00 175.22 174.53 1z94 s GLY 68 N -2.80 -0.05 0.00 1.99 0.00 -1.21 -4.48 107.32 100.77 1z94 s GLY 68 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1z94 s GLY 68 CO -0.10 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.37 1z94 n GLY 69 N -0.63 -0.66 3.13 0.20 0.00 -0.59 -0.66 105.19 105.98 1z94 n GLY 69 Ca -0.04 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1z94 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1z94 s ARG 70 N -0.56 0.73 0.04 1.61 0.52 -1.25 -1.11 118.95 118.93 1z94 s ARG 70 Ca 0.00 -1.00 -0.28 0.00 -0.52 0.00 0.00 55.73 53.93 1z94 s ARG 70 Cb 0.00 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1z94 s ARG 70 CO 0.00 0.08 0.88 0.71 0.02 0.00 0.00 175.30 176.99 1z94 s TYR 71 N -2.00 3.72 -0.09 -0.53 2.02 -0.63 -1.28 117.35 118.56 1z94 s TYR 71 Ca -0.01 1.62 0.14 0.00 -0.37 0.00 0.00 57.07 58.45 1z94 s TYR 71 Cb -0.06 -2.98 -0.20 0.00 -0.40 0.00 0.00 41.96 38.32 1z94 s TYR 71 CO -0.00 0.15 0.17 1.28 -1.57 0.00 0.00 175.55 175.58 1z94 n LEU 72 N 3.23 0.00 -3.77 -1.29 4.77 0.18 -0.83 117.00 119.29 1z94 n LEU 72 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1z94 n LEU 72 Cb 0.50 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.68 1z94 n LEU 72 CO 0.50 0.21 -0.06 -1.61 -1.33 0.00 0.00 177.39 175.09 1z94 s GLU 73 N -2.65 0.32 -0.35 3.23 2.02 -0.94 -4.87 118.70 115.45 1z94 s GLU 73 Ca -0.06 0.40 0.03 0.00 0.02 0.00 0.00 54.97 55.35 1z94 s GLU 73 Cb 0.07 0.14 0.15 0.00 0.10 0.00 0.00 34.13 34.59 1z94 s GLU 73 CO 0.61 -0.05 0.38 -0.51 0.02 0.00 0.00 175.26 175.71 1z94 s LEU 74 N 0.23 -0.26 -0.38 1.80 1.43 -1.26 -1.59 118.68 118.66 1z94 s LEU 74 Ca -0.01 -1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1z94 s LEU 74 Cb -0.03 0.69 0.10 0.00 0.03 0.00 0.00 46.19 46.98 1z94 s LEU 74 CO -0.00 -0.29 0.14 -0.69 0.23 0.00 0.00 176.35 175.73 1z94 s VAL 75 N 1.76 3.03 -0.31 -1.59 1.01 -0.11 -4.98 120.40 119.21 1z94 s VAL 75 Ca 0.15 -2.00 -0.42 0.00 0.00 0.00 0.00 61.98 59.71 1z94 s VAL 75 Cb -0.14 -3.05 -0.19 0.00 0.00 0.00 0.00 36.38 33.01 1z94 s VAL 75 CO -0.12 -0.57 1.32 -2.65 0.00 0.00 0.00 175.10 173.08 1z94 n PRO 76 N 4.53 0.00 -0.99 2.72 -0.02 -1.26 -0.50 135.00 139.48 1z94 n PRO 76 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1z94 n PRO 76 Cb 0.42 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1z94 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z94 n GLY 77 N 2.93 0.27 0.71 -1.23 0.00 -1.26 -4.76 105.19 101.85 1z94 n GLY 77 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1z94 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z94 n GLU 78 N -1.07 0.00 -3.72 1.61 1.02 0.34 -4.54 120.64 114.27 1z94 n GLU 78 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1z94 n GLU 78 Cb 0.23 -0.35 -0.09 0.00 -0.02 0.00 0.00 31.44 31.21 1z94 n GLU 78 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1z94 s ARG 79 N -1.42 0.59 -0.07 3.49 6.06 -0.30 -0.00 118.95 127.31 1z94 s ARG 79 Ca 0.00 0.35 -0.03 0.00 -2.50 0.00 0.00 55.73 53.55 1z94 s ARG 79 Cb 0.00 0.28 0.04 0.00 0.06 0.00 0.00 34.95 35.33 1z94 s ARG 79 CO 0.00 -0.12 0.15 0.42 -2.50 0.00 0.00 175.30 173.25 1z94 s ILE 80 N -0.32 -0.05 -0.04 4.11 1.01 0.23 -0.93 121.20 125.21 1z94 s ILE 80 Ca -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1z94 s ILE 80 Cb -0.03 -0.24 0.03 0.00 0.01 0.00 0.00 42.46 42.22 1z94 s ILE 80 CO 0.02 0.07 0.09 -0.60 0.00 0.00 0.00 174.94 174.52 1z94 s ARG 81 N 1.10 0.06 0.08 2.79 3.52 -0.62 0.99 118.95 126.86 1z94 s ARG 81 Ca -0.08 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.64 1z94 s ARG 81 Cb -0.11 -0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.17 1z94 s ARG 81 CO -0.06 -0.11 0.25 1.52 -0.81 0.00 0.00 175.30 176.09 1z94 s TYR 82 N 0.76 0.03 0.50 5.12 1.13 -0.77 0.50 117.35 124.63 1z94 s TYR 82 Ca -0.06 -0.36 0.02 0.00 -1.41 0.00 0.00 57.07 55.26 1z94 s TYR 82 Cb -0.08 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1z94 s TYR 82 CO -0.03 -0.55 0.71 0.95 -2.51 0.00 0.00 175.55 174.12 1z94 s THR 83 N -3.45 3.08 -0.14 -3.49 -4.23 -0.41 -1.88 115.64 105.12 1z94 s THR 83 Ca 0.02 -0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.75 1z94 s THR 83 Cb 0.03 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.78 1z94 s THR 83 CO -0.09 -0.09 0.35 -0.62 -0.54 0.00 0.00 174.62 173.64 1z94 s ASP 84 N -4.36 -0.40 -0.27 3.99 3.68 -1.26 -3.94 116.67 114.11 1z94 s ASP 84 Ca 0.54 0.74 -0.03 0.00 2.13 0.00 0.00 52.55 55.93 1z94 s ASP 84 Cb -0.10 0.68 0.11 0.00 -1.45 0.00 0.00 42.92 42.16 1z94 s ASP 84 CO 0.37 -0.15 0.17 -0.13 0.13 0.00 0.00 175.17 175.57 1z94 s ARG 85 N 0.75 0.21 0.27 4.34 0.52 0.16 -4.41 118.95 120.80 1z94 s ARG 85 Ca -0.05 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 1z94 s ARG 85 Cb -0.06 -1.09 -0.13 0.00 0.52 0.00 0.00 34.95 34.20 1z94 s ARG 85 CO -0.05 -0.97 1.43 1.19 0.02 0.00 0.00 175.30 176.92 1z94 n PHE 86 N 5.27 2.36 -0.50 -0.53 3.72 -1.26 -3.34 117.46 123.19 1z94 n PHE 86 Ca -0.05 0.41 -0.32 0.00 -0.05 0.00 0.00 57.45 57.44 1z94 n PHE 86 Cb 0.44 -2.49 -0.07 0.00 -0.94 0.00 0.00 39.48 36.42 1z94 n PHE 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1z94 n ASP 87 N 1.89 1.28 -0.20 4.37 10.43 -0.87 -4.97 116.55 128.49 1z94 n ASP 87 Ca 0.09 -2.39 0.00 0.00 2.57 0.00 0.00 54.79 55.06 1z94 n ASP 87 Cb 0.34 -0.64 0.00 0.00 1.84 0.00 0.00 41.12 42.65 1z94 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1z94 n GLY 93 N 4.58 -3.27 0.00 0.44 0.00 -1.26 -5.11 105.19 100.58 1z94 n GLY 93 Ca 0.36 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1z94 n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1z94 n ASP 94 N -0.83 0.00 -3.57 1.61 4.64 -1.26 -4.78 116.55 112.36 1z94 n ASP 94 Ca 0.00 -0.72 -0.02 0.00 -1.38 0.00 0.00 54.79 52.68 1z94 n ASP 94 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.02 1z94 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1z94 s ILE 96 N -2.45 -0.28 -0.11 5.18 1.01 0.33 -4.55 121.20 120.34 1z94 s ILE 96 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1z94 s ILE 96 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 1z94 s ILE 96 CO 0.00 0.00 -0.21 0.42 0.00 0.00 0.00 174.94 175.15 1z94 s THR 97 N 1.91 1.88 -0.08 2.92 -4.23 -0.79 0.77 115.64 118.02 1z94 s THR 97 Ca -0.07 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1z94 s THR 97 Cb -0.06 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.15 1z94 s THR 97 CO -0.17 0.52 -0.13 0.42 -0.54 0.00 0.00 174.62 174.72 1z94 s THR 98 N 0.58 1.26 -0.16 3.99 -4.23 0.04 -1.85 115.64 115.28 1z94 s THR 98 Ca -0.14 -0.52 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1z94 s THR 98 Cb -0.17 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 1z94 s THR 98 CO 0.04 0.39 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.87 1z94 s ILE 99 N 0.85 4.17 -0.07 2.99 -1.09 0.28 -1.95 121.20 126.38 1z94 s ILE 99 Ca -0.11 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 1z94 s ILE 99 Cb -0.15 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1z94 s ILE 99 CO 0.01 0.49 -0.18 0.42 -1.23 0.00 0.00 174.94 174.46 1z94 s THR 100 N 0.28 1.53 0.12 2.92 -4.23 -0.52 -0.60 115.64 115.14 1z94 s THR 100 Ca -0.01 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.86 1z94 s THR 100 Cb -0.13 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 1z94 s THR 100 CO 0.02 0.44 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.58 1z94 s LEU 101 N 0.35 2.60 -0.04 4.79 1.43 1.00 -1.84 118.68 126.97 1z94 s LEU 101 Ca -0.12 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.26 1z94 s LEU 101 Cb -0.15 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1z94 s LEU 101 CO 0.05 0.18 0.23 0.00 0.23 0.00 0.00 176.35 177.03 1z94 s ALA 102 N -1.14 -0.57 0.61 4.21 0.00 -0.74 -4.48 121.76 119.66 1z94 s ALA 102 Ca 0.17 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 1z94 s ALA 102 Cb -0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1z94 s ALA 102 CO 0.09 -0.19 1.21 -2.14 0.00 0.00 0.00 175.76 174.73 1z94 s PRO 103 N -0.82 2.89 0.05 0.00 0.02 -1.26 -1.14 135.00 134.74 1z94 s PRO 103 Ca -0.09 1.83 -0.15 0.00 0.02 0.00 0.00 61.00 62.61 1z94 s PRO 103 Cb -0.05 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.58 1z94 s PRO 103 CO 0.02 -1.27 0.35 -0.51 -0.33 0.00 0.00 177.00 175.25 1z94 s LEU 104 N -4.17 0.70 0.14 -5.54 1.43 -1.10 -4.69 118.68 105.44 1z94 s LEU 104 Ca 0.77 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.53 1z94 s LEU 104 Cb -0.31 1.51 0.00 0.00 0.03 0.00 0.00 46.19 47.43 1z94 s LEU 104 CO 0.34 -0.65 1.68 -1.28 0.23 0.00 0.00 176.35 176.67 1z94 h SER 105 N 3.08 -0.37 0.81 2.29 0.87 -1.99 -1.64 113.55 116.60 1z94 h SER 105 Ca -0.32 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1z94 h SER 105 Cb 1.20 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1z94 h SER 105 CO 0.45 -0.15 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 1z94 n GLY 107 N 0.33 -0.16 3.50 0.00 0.00 -0.62 -3.94 105.19 104.31 1z94 n GLY 107 Ca 0.03 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1z94 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z94 s ALA 108 N -1.00 -1.69 -0.17 4.61 0.00 0.02 -2.72 121.76 120.81 1z94 s ALA 108 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 1z94 s ALA 108 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1z94 s ALA 108 CO 0.00 -0.37 0.06 0.34 0.00 0.00 0.00 175.76 175.80 1z94 s ASP 109 N -1.22 5.64 -0.09 0.00 -1.08 -0.29 -0.38 116.67 119.26 1z94 s ASP 109 Ca -0.11 0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.06 1z94 s ASP 109 Cb -0.00 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 1z94 s ASP 109 CO 0.09 0.20 -0.21 -0.22 0.52 0.00 0.00 175.17 175.55 1z94 s LEU 110 N 0.24 1.98 -0.01 -1.34 2.96 0.58 -1.79 118.68 121.29 1z94 s LEU 110 Ca 0.04 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1z94 s LEU 110 Cb -0.12 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1z94 s LEU 110 CO 0.00 0.14 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.17 1z94 s SER 111 N 0.36 0.84 -0.04 3.68 1.04 -0.76 -1.00 113.70 117.82 1z94 s SER 111 Ca -0.16 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1z94 s SER 111 Cb -0.17 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1z94 s SER 111 CO 0.07 0.05 -0.15 -0.63 0.98 0.00 0.00 173.24 173.56 1z94 s ILE 112 N 0.11 1.26 -0.11 -1.02 1.01 0.53 -1.44 121.20 121.54 1z94 s ILE 112 Ca -0.01 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 1z94 s ILE 112 Cb -0.06 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1z94 s ILE 112 CO -0.00 0.37 -0.07 0.54 0.00 0.00 0.00 174.94 175.77 1z94 s VAL 113 N 0.04 0.98 -0.25 2.92 0.11 -0.82 -0.65 120.40 122.73 1z94 s VAL 113 Ca -0.03 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1z94 s VAL 113 Cb -0.10 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1z94 s VAL 113 CO 0.01 0.36 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.48 1z94 s GLN 114 N 1.72 2.53 0.30 1.54 0.74 -0.36 -0.78 119.66 125.35 1z94 s GLN 114 Ca 0.05 -1.17 0.07 0.00 0.05 0.00 0.00 55.36 54.36 1z94 s GLN 114 Cb -0.13 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 1z94 s GLN 114 CO -0.08 -0.49 0.25 -1.21 -0.55 0.00 0.00 175.29 173.21 1z94 s GLU 115 N 1.21 2.80 -1.08 1.67 2.02 0.23 -0.96 118.70 124.59 1z94 s GLU 115 Ca -0.04 -1.20 -0.00 0.00 0.02 0.00 0.00 54.97 53.74 1z94 s GLU 115 Cb -0.18 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1z94 s GLU 115 CO -0.05 0.22 0.04 0.41 0.02 0.00 0.00 175.26 175.90 1z94 n GLY 116 N -1.28 -0.15 3.70 -1.39 0.00 -1.09 -0.51 105.19 104.47 1z94 n GLY 116 Ca -0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1z94 n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1z94 s ILE 117 N -2.67 4.29 0.41 -0.61 1.01 -0.39 -4.17 121.20 119.07 1z94 s ILE 117 Ca 0.02 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.03 1z94 s ILE 117 Cb -0.01 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1z94 s ILE 117 CO 0.02 0.06 1.43 -2.65 0.00 0.00 0.00 174.94 173.81 1z94 n PRO 118 N 4.61 2.41 0.30 2.79 -0.02 -1.26 0.14 135.00 143.97 1z94 n PRO 118 Ca 0.10 0.85 0.20 0.00 -2.02 0.00 0.00 63.50 62.63 1z94 n PRO 118 Cb 0.47 -2.61 0.98 0.00 -0.02 0.00 0.00 33.50 32.32 1z94 n PRO 118 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1z94 h ASP 119 N 2.59 0.00 0.29 2.55 5.19 -1.93 -1.46 116.42 123.65 1z94 h ASP 119 Ca -0.50 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 1z94 h ASP 119 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1z94 h ASP 119 CO 0.62 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 176.69 1z94 h ALA 120 N 2.01 1.21 -2.82 3.45 0.00 -2.03 -3.38 119.26 117.70 1z94 h ALA 120 Ca 0.00 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 1z94 h ALA 120 Cb 0.20 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.78 1z94 h ALA 120 CO 0.00 0.06 -0.53 0.42 0.00 0.00 0.00 179.25 179.21 1z94 s ILE 121 N -4.19 4.91 0.11 0.00 -1.09 -0.55 -5.05 121.20 115.33 1z94 s ILE 121 Ca -0.03 -0.28 -0.32 0.00 -2.23 0.00 0.00 60.65 57.79 1z94 s ILE 121 Cb 0.13 -3.49 -0.11 0.00 -1.58 0.00 0.00 42.46 37.41 1z94 s ILE 121 CO 0.53 0.07 1.83 -2.65 -1.23 0.00 0.00 174.94 173.49 1z94 n PRO 122 N 5.03 2.72 -0.16 2.79 -0.02 -1.26 -4.83 135.00 139.27 1z94 n PRO 122 Ca -0.13 0.99 0.18 0.00 -2.02 0.00 0.00 63.50 62.51 1z94 n PRO 122 Cb 0.50 -2.88 0.55 0.00 -0.02 0.00 0.00 33.50 31.65 1z94 n PRO 122 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1z94 h PRO 123 N 8.53 0.30 -0.58 0.52 0.11 -1.91 -0.46 132.00 138.52 1z94 h PRO 123 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1z94 h PRO 123 Cb 1.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1z94 h PRO 123 CO 0.94 0.20 0.31 1.05 -0.21 0.00 0.00 178.00 180.29 1z94 h GLU 124 N 0.31 0.79 -0.08 1.05 4.11 -2.00 -1.24 114.58 117.52 1z94 h GLU 124 Ca 0.38 -0.08 -0.11 0.00 0.07 0.00 0.00 59.36 59.61 1z94 h GLU 124 Cb 1.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1z94 h GLU 124 CO -0.10 0.59 -0.46 -0.91 0.07 0.00 0.00 179.01 178.20 1z94 h ASN 125 N 0.80 0.21 -0.24 3.06 2.35 -1.45 -1.88 115.58 118.43 1z94 h ASN 125 Ca 0.20 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 1z94 h ASN 125 Cb 0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1z94 h ASN 125 CO -0.03 0.65 -0.19 0.00 -1.65 0.00 0.00 177.43 176.20 1z94 h TYR 127 N 0.61 0.92 -0.57 0.00 0.05 -1.09 -2.08 116.97 114.81 1z94 h TYR 127 Ca 0.09 -0.33 -0.00 0.00 0.05 0.00 0.00 58.73 58.54 1z94 h TYR 127 Cb 0.66 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 1z94 h TYR 127 CO 0.03 1.12 0.34 -0.07 -1.05 0.00 0.00 178.16 178.53 1z94 h LEU 128 N 0.46 0.68 -0.23 3.88 3.38 -1.20 0.15 115.31 122.44 1z94 h LEU 128 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1z94 h LEU 128 Cb 1.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1z94 h LEU 128 CO 0.10 0.54 0.13 1.23 0.09 0.00 0.00 178.44 180.53 1z94 h GLY 129 N 0.77 0.34 1.02 0.83 0.00 -1.15 -2.56 103.07 102.32 1z94 h GLY 129 Ca 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1z94 h GLY 129 CO -0.04 0.15 0.22 1.49 0.00 0.00 0.00 176.54 178.36 1z94 h TRP 130 N 0.26 1.05 -0.98 5.60 4.06 -1.14 -1.39 115.95 123.41 1z94 h TRP 130 Ca 0.08 -0.10 0.05 0.00 2.06 0.00 0.00 58.89 60.98 1z94 h TRP 130 Cb 0.07 -0.31 -0.06 0.00 -1.00 0.00 0.00 29.16 27.86 1z94 h TRP 130 CO -0.04 0.84 0.64 1.96 -3.56 0.00 0.00 178.44 178.29 1z94 h GLN 131 N 0.95 1.15 -0.08 0.49 4.20 -0.81 0.54 115.11 121.55 1z94 h GLN 131 Ca 0.21 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1z94 h GLN 131 Cb 0.28 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1z94 h GLN 131 CO -0.01 0.76 -0.09 1.96 -0.67 0.00 0.00 178.83 180.78 1z94 h GLN 132 N 1.18 0.21 -0.60 1.46 4.20 -1.21 -2.47 115.11 117.88 1z94 h GLN 132 Ca 0.41 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 59.03 1z94 h GLN 132 Cb 0.10 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1z94 h GLN 132 CO -0.15 0.65 0.37 0.77 -0.67 0.00 0.00 178.83 179.80 1z94 h SER 133 N -0.22 0.62 0.01 1.46 0.02 -0.64 -1.83 113.55 112.97 1z94 h SER 133 Ca 0.01 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1z94 h SER 133 Cb 0.61 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1z94 h SER 133 CO 0.02 0.43 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.96 1z94 h LEU 134 N 0.74 0.23 -0.41 5.07 3.38 0.08 0.25 115.31 124.66 1z94 h LEU 134 Ca 0.24 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1z94 h LEU 134 Cb -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1z94 h LEU 134 CO -0.09 0.38 -0.12 0.50 0.09 0.00 0.00 178.44 179.19 1z94 h LYS 135 N 0.23 0.80 -0.25 1.13 3.64 -0.94 -1.76 116.57 119.43 1z94 h LYS 135 Ca 0.05 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1z94 h LYS 135 Cb 0.36 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1z94 h LYS 135 CO 0.02 0.94 -0.27 1.96 -2.27 0.00 0.00 179.45 179.83 1z94 h GLN 136 N 0.61 0.48 -0.13 1.90 4.20 -0.51 -2.35 115.11 119.32 1z94 h GLN 136 Ca 0.10 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1z94 h GLN 136 Cb 0.66 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1z94 h GLN 136 CO 0.05 0.71 0.03 1.25 -0.67 0.00 0.00 178.83 180.20 1z94 h LEU 137 N 0.42 0.20 -0.84 1.46 5.85 -0.29 -2.48 115.31 119.62 1z94 h LEU 137 Ca 0.06 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1z94 h LEU 137 Cb 0.70 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1z94 h LEU 137 CO 0.05 0.38 0.52 0.00 -0.34 0.00 0.00 178.44 179.05 1z94 h ALA 138 N 0.83 1.15 -0.45 1.25 0.00 -1.19 -0.27 119.26 120.58 1z94 h ALA 138 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1z94 h ALA 138 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1z94 h ALA 138 CO 0.00 0.28 0.16 0.00 0.00 0.00 0.00 179.25 179.69 1z94 h ALA 139 N 1.39 1.44 0.20 0.00 0.00 -1.28 -0.84 119.26 120.17 1z94 h ALA 139 Ca 0.36 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.81 1z94 h ALA 139 Cb 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.78 1z94 h ALA 139 CO -0.16 0.42 -1.38 1.25 0.00 0.00 0.00 179.25 179.38 1z94 h LEU 140 N 0.64 0.85 0.00 0.00 5.85 -0.83 -3.40 115.31 118.42 1z94 h LEU 140 Ca 0.15 -0.86 -0.28 0.00 0.84 0.00 0.00 57.88 57.74 1z94 h LEU 140 Cb 0.16 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1z94 h LEU 140 CO -0.01 1.66 -1.78 0.55 -0.34 0.00 0.00 178.44 178.52 1z94 n VAL 141 N -3.74 1.48 0.12 1.05 3.14 -0.21 -4.44 118.33 115.74 1z94 n VAL 141 Ca -0.15 -0.78 0.01 0.00 -2.96 0.00 0.00 64.34 60.45 1z94 n VAL 141 Cb 1.06 -0.88 0.33 0.00 -1.06 0.00 0.00 33.84 33.29 1z94 n VAL 141 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1z94 h GLU 142 N 0.00 0.20 -7.13 1.45 5.08 -1.36 -3.45 114.58 109.37 1z94 h GLU 142 Ca -0.30 -0.06 -0.54 0.00 -1.00 0.00 0.00 59.36 57.46 1z94 h GLU 142 Cb 1.97 -0.02 0.14 0.00 0.50 0.00 0.00 28.75 31.34 1z94 h GLU 142 CO 0.06 0.45 0.46 -2.14 -1.00 0.00 0.00 179.01 176.84 1z94 s PRO 143 N -4.45 2.63 0.00 2.33 0.02 -1.26 -4.80 135.00 129.46 1z94 s PRO 143 Ca -0.05 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1z94 s PRO 143 Cb 0.15 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1z94 s PRO 143 CO 0.74 -1.48 0.00 -0.25 -0.33 0.00 0.00 177.00 175.68