#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 3.67 -0.06 3.54 0.01 0.96 -4.83 114.94 118.22 1z94 s ASN 3 Ca 0.00 -0.89 0.05 0.00 -0.71 0.00 0.00 52.86 51.31 1z94 s ASN 3 Cb 0.00 -0.37 -0.01 0.00 0.41 0.00 0.00 41.25 41.28 1z94 s ASN 3 CO 0.00 0.08 -0.22 -0.89 -1.51 0.00 0.00 177.10 174.55 1z94 s THR 4 N -2.09 2.33 0.04 1.60 2.01 -1.26 -1.38 115.64 116.89 1z94 s THR 4 Ca 0.26 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1z94 s THR 4 Cb -0.07 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1z94 s THR 4 CO 0.13 0.57 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.89 1z94 s ILE 5 N -0.25 3.27 -0.02 1.82 1.09 0.15 -4.96 121.20 122.31 1z94 s ILE 5 Ca -0.00 -1.04 0.00 0.00 -1.10 0.00 0.00 60.65 58.51 1z94 s ILE 5 Cb -0.13 -2.44 0.02 0.00 -1.06 0.00 0.00 42.46 38.85 1z94 s ILE 5 CO 0.03 0.31 0.00 -0.13 -0.10 0.00 0.00 174.94 175.05 1z94 s ARG 6 N -1.61 0.13 0.06 2.79 0.52 -1.26 -0.41 118.95 119.17 1z94 s ARG 6 Ca 0.17 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 1z94 s ARG 6 Cb -0.11 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.06 1z94 s ARG 6 CO 0.08 -0.08 -0.10 -0.51 0.02 0.00 0.00 175.30 174.71 1z94 s LEU 7 N 0.63 2.31 -0.03 2.53 1.43 -0.34 -5.00 118.68 120.22 1z94 s LEU 7 Ca -0.06 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1z94 s LEU 7 Cb -0.08 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.89 1z94 s LEU 7 CO -0.01 -0.20 0.05 -2.28 0.23 0.00 0.00 176.35 174.13 1z94 s HIS 8 N -1.73 -0.01 -0.00 0.29 2.46 -1.26 -1.32 115.29 113.71 1z94 s HIS 8 Ca -0.03 0.18 -0.04 0.00 0.47 0.00 0.00 55.06 55.64 1z94 s HIS 8 Cb -0.07 -0.16 -0.00 0.00 -0.13 0.00 0.00 32.58 32.21 1z94 s HIS 8 CO 0.00 -0.09 0.07 1.03 -2.47 0.00 0.00 174.74 173.28 1z94 s ARG 9 N 0.88 0.31 -0.19 2.88 1.81 -0.62 -5.03 118.95 119.00 1z94 s ARG 9 Ca -0.07 -0.31 -0.07 0.00 -1.72 0.00 0.00 55.73 53.56 1z94 s ARG 9 Cb -0.10 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 1z94 s ARG 9 CO -0.03 -0.06 0.04 0.08 -0.68 0.00 0.00 175.30 174.65 1z94 s VAL 10 N -0.98 4.48 -0.02 3.52 1.01 -1.26 -0.65 120.40 126.50 1z94 s VAL 10 Ca -0.11 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1z94 s VAL 10 Cb -0.06 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1z94 s VAL 10 CO 0.00 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.54 1z94 s LEU 11 N 0.64 2.19 -0.62 3.92 1.43 0.52 -4.99 118.68 121.78 1z94 s LEU 11 Ca 0.02 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1z94 s LEU 11 Cb -0.13 -1.38 -0.16 0.00 0.03 0.00 0.00 46.19 44.55 1z94 s LEU 11 CO 0.02 0.32 3.28 -1.20 0.23 0.00 0.00 176.35 179.00 1z94 n SER 12 N 2.32 6.60 -3.69 2.29 7.64 -1.26 -0.45 113.62 127.08 1z94 n SER 12 Ca -0.16 -2.61 -0.14 0.00 1.01 0.00 0.00 58.87 56.97 1z94 n SER 12 Cb 0.51 -1.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.19 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 1.01 -1.14 0.59 -0.43 0.00 -1.25 -4.62 121.76 115.92 1z94 s ALA 13 Ca 0.67 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 1z94 s ALA 13 Cb 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1z94 s ALA 13 CO -0.04 -0.28 1.26 -1.25 0.00 0.00 0.00 175.76 175.45 1z94 s PRO 14 N -0.84 2.94 0.40 0.00 0.04 -1.26 -1.78 135.00 134.49 1z94 s PRO 14 Ca -0.09 1.98 0.15 0.00 0.04 0.00 0.00 61.00 63.08 1z94 s PRO 14 Cb -0.03 -2.00 1.01 0.00 0.04 0.00 0.00 34.50 33.52 1z94 s PRO 14 CO 0.05 -1.27 1.86 -1.35 0.04 0.00 0.00 177.00 176.32 1z94 h PRO 15 N 0.98 0.46 -0.45 0.56 0.11 -1.88 -2.22 132.00 129.57 1z94 h PRO 15 Ca -0.51 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1z94 h PRO 15 Cb 1.31 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1z94 h PRO 15 CO 0.55 0.31 -0.14 1.49 -0.21 0.00 0.00 178.00 180.00 1z94 h GLU 16 N 0.48 0.83 -0.40 1.05 4.57 -1.91 0.10 114.58 119.30 1z94 h GLU 16 Ca 0.47 -0.30 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 1z94 h GLU 16 Cb 1.05 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 1z94 h GLU 16 CO -0.19 0.93 -0.36 -0.09 -1.18 0.00 0.00 179.01 178.12 1z94 h ARG 17 N 0.74 0.94 -0.46 1.92 2.43 -1.78 -1.10 114.38 117.08 1z94 h ARG 17 Ca 0.12 -0.48 -0.05 0.00 -0.81 0.00 0.00 59.98 58.76 1z94 h ARG 17 Cb 0.65 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1z94 h ARG 17 CO 0.05 1.14 0.11 0.28 -1.51 0.00 0.00 179.97 180.04 1z94 h VAL 18 N 0.77 1.24 -0.35 0.20 2.07 -1.29 -1.94 116.25 116.95 1z94 h VAL 18 Ca 0.07 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.82 1z94 h VAL 18 Cb 0.95 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1z94 h VAL 18 CO 0.09 0.29 0.02 0.22 0.02 0.00 0.00 177.57 178.21 1z94 h TYR 19 N 0.62 0.02 -0.90 1.57 3.20 -0.64 -1.90 116.97 118.93 1z94 h TYR 19 Ca 0.14 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1z94 h TYR 19 Cb 0.33 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1z94 h TYR 19 CO 0.02 -0.04 0.58 -0.09 -1.64 0.00 0.00 178.16 176.99 1z94 h ARG 20 N 0.12 0.97 0.00 1.82 2.43 -0.86 -1.75 114.38 117.11 1z94 h ARG 20 Ca 0.17 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1z94 h ARG 20 Cb 0.22 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1z94 h ARG 20 CO -0.26 0.64 -0.08 0.00 -1.51 0.00 0.00 179.97 178.76 1z94 h ALA 21 N 1.52 1.33 0.00 2.80 0.00 -0.56 -0.46 119.26 123.88 1z94 h ALA 21 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1z94 h ALA 21 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1z94 h ALA 21 CO -0.15 0.09 -0.26 1.19 0.00 0.00 0.00 179.25 180.13 1z94 n PHE 22 N -3.66 0.21 0.00 0.00 3.72 -0.66 -3.91 117.46 113.16 1z94 n PHE 22 Ca -0.02 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1z94 n PHE 22 Cb 0.18 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 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 -1.69 0.00 -4.68 4.37 4.77 -0.83 -4.98 117.00 113.96 1z94 n LEU 23 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 1z94 n LEU 23 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1z94 n LEU 23 CO 0.31 0.00 0.97 -0.62 -1.33 0.00 0.00 177.39 176.72 1z94 s ASP 24 N -2.10 7.05 0.40 -1.43 3.68 -0.24 -4.93 116.67 119.10 1z94 s ASP 24 Ca 0.00 1.70 0.08 0.00 2.13 0.00 0.00 52.55 56.46 1z94 s ASP 24 Cb 0.00 -2.55 0.84 0.00 -1.45 0.00 0.00 42.92 39.76 1z94 s ASP 24 CO 0.00 -0.63 2.01 1.55 0.13 0.00 0.00 175.17 178.23 1z94 h PRO 25 N 7.64 0.42 0.00 4.34 0.13 -1.92 -0.49 132.00 142.12 1z94 h PRO 25 Ca -0.30 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 1z94 h PRO 25 Cb 1.13 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1z94 h PRO 25 CO 0.91 0.36 -0.48 -0.07 -0.23 0.00 0.00 178.00 178.49 1z94 h LEU 26 N 0.43 0.00 0.00 1.56 3.38 -1.97 -1.96 115.31 116.75 1z94 h LEU 26 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1z94 h LEU 26 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1z94 h LEU 26 CO -0.01 0.48 -0.31 0.00 0.09 0.00 0.00 178.44 178.69 1z94 h ALA 27 N 1.52 0.06 -0.92 1.53 0.00 -1.72 -3.27 119.26 116.46 1z94 h ALA 27 Ca -0.00 -0.67 0.11 0.00 0.00 0.00 0.00 54.91 54.34 1z94 h ALA 27 Cb 0.95 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1z94 h ALA 27 CO 0.06 0.17 0.56 -0.07 0.00 0.00 0.00 179.25 179.97 1z94 h LEU 28 N -0.98 0.81 -2.00 0.00 3.38 -1.14 0.14 115.31 115.53 1z94 h LEU 28 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1z94 h LEU 28 Cb 1.09 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1z94 h LEU 28 CO -0.04 0.45 -0.10 0.00 0.09 0.00 0.00 178.44 178.84 1z94 h ALA 29 N 1.50 1.47 0.12 1.53 0.00 -1.49 -0.64 119.26 121.75 1z94 h ALA 29 Ca 0.45 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.92 1z94 h ALA 29 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1z94 h ALA 29 CO -0.25 0.12 -1.90 -0.22 0.00 0.00 0.00 179.25 177.00 1z94 h LYS 30 N 0.00 0.25 0.00 0.00 3.64 -0.85 -3.37 116.57 116.24 1z94 h LYS 30 Ca -0.00 -0.43 -0.24 0.00 -1.27 0.00 0.00 60.65 58.71 1z94 h LYS 30 Cb 0.23 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1z94 h LYS 30 CO 0.01 1.21 -2.20 -2.67 -2.27 0.00 0.00 179.45 173.53 1z94 n TRP 31 N -3.59 0.00 -0.01 1.91 4.27 -0.24 -4.66 117.44 115.11 1z94 n TRP 31 Ca -0.31 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.18 1z94 n TRP 31 Cb 1.01 -0.80 -0.06 0.00 -1.36 0.00 0.00 31.31 30.10 1z94 n TRP 31 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1z94 h LEU 32 N 0.00 0.13 -9.50 5.67 6.46 -1.31 -3.42 115.31 113.34 1z94 h LEU 32 Ca -0.36 -0.17 -0.53 0.00 -0.12 0.00 0.00 57.88 56.69 1z94 h LEU 32 Cb 1.80 -0.03 0.02 0.00 -0.73 0.00 0.00 40.66 41.72 1z94 h LEU 32 CO 0.02 0.27 0.83 -2.16 -0.62 0.00 0.00 178.44 176.78 1z94 s PRO 33 N -5.50 4.27 1.22 5.25 0.04 -1.26 -4.72 135.00 134.30 1z94 s PRO 33 Ca -0.14 2.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.85 1z94 s PRO 33 Cb 0.06 -3.38 0.30 0.00 0.04 0.00 0.00 34.50 31.52 1z94 s PRO 33 CO 0.69 -0.56 1.15 -1.25 0.04 0.00 0.00 177.00 177.06 1z94 s PRO 34 N 1.71 -1.38 0.19 0.56 0.04 -1.26 -4.79 135.00 130.06 1z94 s PRO 34 Ca 0.67 -0.25 -0.33 0.00 0.04 0.00 0.00 61.00 61.13 1z94 s PRO 34 Cb -0.37 -1.59 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1z94 s PRO 34 CO 0.30 -3.78 1.35 0.39 0.04 0.00 0.00 177.00 175.30 1z94 n GLU 35 N -4.77 1.67 -0.95 4.56 1.02 -1.26 -1.30 120.64 119.61 1z94 n GLU 35 Ca 0.16 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1z94 n GLU 35 Cb 0.60 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1z94 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z94 n GLY 36 N 2.36 0.90 3.39 0.62 0.00 -1.26 -5.02 105.19 106.19 1z94 n GLY 36 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.57 2.40 0.27 1.61 0.08 -0.42 0.18 117.98 118.53 1z94 s PHE 37 Ca 0.00 -0.35 0.11 0.00 0.12 0.00 0.00 56.93 56.81 1z94 s PHE 37 Cb 0.00 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 1z94 s PHE 37 CO 0.00 0.20 -0.11 0.14 -0.10 0.00 0.00 175.22 175.35 1z94 s VAL 38 N -0.88 2.92 -0.04 -0.44 -7.23 -0.42 -4.62 120.40 109.68 1z94 s VAL 38 Ca 0.13 -2.18 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1z94 s VAL 38 Cb -0.10 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1z94 s VAL 38 CO 0.04 -0.39 -0.23 0.00 -0.31 0.00 0.00 175.10 174.21 1z94 s LYS 40 N -0.23 3.16 -0.31 0.00 2.47 -0.58 -4.85 119.74 119.40 1z94 s LYS 40 Ca -0.00 -0.78 -0.13 0.00 -1.56 0.00 0.00 55.97 53.50 1z94 s LYS 40 Cb -0.12 -2.57 -0.03 0.00 -1.46 0.00 0.00 37.83 33.65 1z94 s LYS 40 CO 0.02 0.01 0.27 0.08 0.16 0.00 0.00 175.35 175.89 1z94 s VAL 41 N 0.81 5.25 -0.19 4.02 1.01 -1.26 -1.29 120.40 128.76 1z94 s VAL 41 Ca -0.06 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1z94 s VAL 41 Cb -0.15 -3.66 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 1z94 s VAL 41 CO -0.01 0.10 0.24 -0.07 0.00 0.00 0.00 175.10 175.37 1z94 h LEU 42 N 8.52 0.00 -7.90 3.92 -0.00 -1.11 -3.48 115.31 115.26 1z94 h LEU 42 Ca -0.32 -0.51 -0.32 0.00 -0.00 0.00 0.00 57.88 56.73 1z94 h LEU 42 Cb 1.17 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.54 1z94 h LEU 42 CO 0.62 1.30 -0.75 -0.70 -0.00 0.00 0.00 178.44 178.91 1z94 s GLU 43 N -2.30 0.41 -0.42 1.13 2.12 -0.52 -4.98 118.70 114.13 1z94 s GLU 43 Ca -0.25 -0.18 0.08 0.00 0.36 0.00 0.00 54.97 54.98 1z94 s GLU 43 Cb 0.04 -0.39 0.26 0.00 0.26 0.00 0.00 34.13 34.30 1z94 s GLU 43 CO 0.55 0.11 0.67 -2.39 -0.54 0.00 0.00 175.26 173.65 1z94 n HIS 44 N 2.94 -1.20 -2.82 5.30 1.44 -1.26 -0.91 115.22 118.72 1z94 n HIS 44 Ca -0.13 -3.05 -0.43 0.00 -2.01 0.00 0.00 57.72 52.10 1z94 n HIS 44 Cb 0.58 0.23 -0.03 0.00 0.12 0.00 0.00 29.99 30.89 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 -1.45 6.45 -1.26 4.39 3.68 -0.53 -4.95 116.67 123.00 1z94 s ASP 45 Ca 0.34 -1.55 -0.18 0.00 2.13 0.00 0.00 52.55 53.29 1z94 s ASP 45 Cb 0.21 -2.45 0.01 0.00 -1.45 0.00 0.00 42.92 39.24 1z94 s ASP 45 CO -0.14 -1.30 1.92 0.00 0.13 0.00 0.00 175.17 175.79 1z94 n ALA 46 N 7.48 3.72 -3.50 3.66 0.00 -1.26 -3.96 120.51 126.64 1z94 n ALA 46 Ca 0.17 -3.64 -0.11 0.00 0.00 0.00 0.00 53.44 49.85 1z94 n ALA 46 Cb 0.48 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.33 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 4.46 0.92 0.03 0.00 1.70 -1.26 -5.04 118.95 119.76 1z94 s ARG 47 Ca 0.55 -0.16 -0.36 0.00 -0.47 0.00 0.00 55.73 55.30 1z94 s ARG 47 Cb 0.07 0.43 -0.15 0.00 -0.57 0.00 0.00 34.95 34.73 1z94 s ARG 47 CO 0.05 -0.36 1.55 0.28 -1.08 0.00 0.00 175.30 175.74 1z94 n VAL 48 N 0.11 0.13 0.00 4.99 0.31 -1.26 0.94 118.33 123.54 1z94 n VAL 48 Ca -0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1z94 n VAL 48 Cb 0.61 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 3.32 2.60 3.76 2.92 0.00 0.13 -4.99 105.19 112.93 1z94 n GLY 49 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.81 2.85 0.31 -0.02 0.00 0.27 -4.74 107.32 104.18 1z94 s GLY 50 Ca 0.00 1.21 -0.20 0.00 0.00 0.00 0.00 44.72 45.73 1z94 s GLY 50 CO 0.00 1.71 0.81 0.00 0.00 0.00 0.00 173.10 175.62 1z94 s ALA 51 N -1.38 3.28 -0.08 3.20 0.00 -1.25 -2.08 121.76 123.45 1z94 s ALA 51 Ca 0.69 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1z94 s ALA 51 Cb -0.37 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1z94 s ALA 51 CO 0.44 0.27 -0.15 -0.47 0.00 0.00 0.00 175.76 175.84 1z94 s TYR 52 N -1.79 1.75 -0.21 0.00 5.04 0.14 -1.46 117.35 120.82 1z94 s TYR 52 Ca 0.51 -0.68 -0.19 0.00 -2.44 0.00 0.00 57.07 54.27 1z94 s TYR 52 Cb -0.14 -1.24 0.05 0.00 0.35 0.00 0.00 41.96 40.98 1z94 s TYR 52 CO 0.19 -0.32 0.55 0.21 -1.34 0.00 0.00 175.55 174.84 1z94 s LYS 53 N 0.60 0.65 -0.22 4.97 2.36 -0.09 -0.85 119.74 127.16 1z94 s LYS 53 Ca -0.15 0.77 -0.26 0.00 -2.55 0.00 0.00 55.97 53.77 1z94 s LYS 53 Cb -0.16 0.32 0.08 0.00 -1.05 0.00 0.00 37.83 37.01 1z94 s LYS 53 CO 0.05 -0.08 0.74 -1.83 1.55 0.00 0.00 175.35 175.78 1z94 s GLU 55 N 0.29 0.85 -0.14 4.03 -1.05 -0.41 -0.34 118.70 121.93 1z94 s GLU 55 Ca -0.00 0.79 -0.08 0.00 -0.15 0.00 0.00 54.97 55.54 1z94 s GLU 55 Cb -0.04 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1z94 s GLU 55 CO 0.01 -0.15 0.14 -0.06 0.95 0.00 0.00 175.26 176.15 1z94 s PHE 56 N 0.00 3.56 -0.08 4.83 0.08 0.55 -1.53 117.98 125.39 1z94 s PHE 56 Ca -0.02 0.48 0.03 0.00 0.12 0.00 0.00 56.93 57.55 1z94 s PHE 56 Cb -0.04 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1z94 s PHE 56 CO 0.02 0.64 -0.18 -0.51 -0.10 0.00 0.00 175.22 175.10 1z94 s LEU 57 N -0.74 1.87 -0.05 -0.37 1.02 -0.61 -0.40 118.68 119.40 1z94 s LEU 57 Ca 0.14 -0.42 -0.30 0.00 0.02 0.00 0.00 54.13 53.56 1z94 s LEU 57 Cb -0.12 -1.11 -0.04 0.00 0.02 0.00 0.00 46.19 44.94 1z94 s LEU 57 CO 0.03 0.10 1.36 0.00 0.02 0.00 0.00 176.35 177.86 1z94 s ALA 58 N 0.46 3.58 0.29 4.21 0.00 -0.56 -1.31 121.76 128.43 1z94 s ALA 58 Ca -0.16 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1z94 s ALA 58 Cb -0.17 -3.60 0.42 0.00 0.00 0.00 0.00 23.12 19.78 1z94 s ALA 58 CO 0.06 -0.98 1.84 0.35 0.00 0.00 0.00 175.76 177.04 1z94 h PHE 59 N 7.99 0.84 -0.08 0.00 3.57 -0.62 0.35 116.94 129.00 1z94 h PHE 59 Ca -0.35 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1z94 h PHE 59 Cb 1.16 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1z94 h PHE 59 CO 0.77 0.69 -0.03 0.00 -2.23 0.00 0.00 178.31 177.51 1z94 h ALA 60 N 1.37 0.11 0.00 2.41 0.00 -1.91 -3.34 119.26 117.90 1z94 h ALA 60 Ca 0.18 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1z94 h ALA 60 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1z94 h ALA 60 CO -0.01 -0.14 -1.73 -1.13 0.00 0.00 0.00 179.25 176.24 1z94 n SER 61 N -4.77 0.53 0.00 0.00 3.41 -1.22 -4.97 113.62 106.60 1z94 n SER 61 Ca -0.07 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1z94 n SER 61 Cb 0.25 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 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 1.46 0.74 3.68 5.00 0.00 0.12 -5.00 105.19 111.20 1z94 n GLY 62 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.41 2.80 -3.53 1.61 -0.06 -1.24 -4.68 117.38 109.88 1z94 n GLN 63 Ca 0.00 1.02 -0.31 0.00 -2.00 0.00 0.00 57.00 55.71 1z94 n GLN 63 Cb 0.00 -2.93 -0.05 0.00 -4.06 0.00 0.00 30.24 23.20 1z94 n GLN 63 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1z94 s LYS 64 N 3.10 3.70 -0.30 3.69 1.02 -1.26 -1.50 119.74 128.19 1z94 s LYS 64 Ca 0.84 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.89 1z94 s LYS 64 Cb -0.48 -2.74 0.13 0.00 -0.52 0.00 0.00 37.83 34.22 1z94 s LYS 64 CO 0.38 0.38 0.26 -1.01 -0.92 0.00 0.00 175.35 174.44 1z94 s HIS 65 N -1.77 -0.24 0.18 3.18 3.76 0.47 -4.99 115.29 115.89 1z94 s HIS 65 Ca 0.44 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.80 1z94 s HIS 65 Cb -0.12 -0.57 -0.07 0.00 1.11 0.00 0.00 32.58 32.93 1z94 s HIS 65 CO 0.24 -0.90 0.55 0.00 -0.85 0.00 0.00 174.74 173.78 1z94 s ALA 66 N 2.20 3.57 0.13 -1.40 0.00 -1.26 -0.33 121.76 124.66 1z94 s ALA 66 Ca 0.10 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.70 1z94 s ALA 66 Cb -0.15 -2.50 0.05 0.00 0.00 0.00 0.00 23.12 20.52 1z94 s ALA 66 CO -0.31 0.47 0.48 -0.59 0.00 0.00 0.00 175.76 175.81 1z94 s PHE 67 N -1.60 -0.34 0.15 0.00 -0.71 -1.26 -1.50 117.98 112.71 1z94 s PHE 67 Ca 0.42 0.10 -0.24 0.00 -1.04 0.00 0.00 56.93 56.17 1z94 s PHE 67 Cb -0.14 0.37 0.08 0.00 -1.21 0.00 0.00 43.02 42.12 1z94 s PHE 67 CO 0.20 -0.74 1.05 0.20 -1.34 0.00 0.00 175.22 174.59 1z94 s GLY 68 N -2.69 -0.03 0.00 1.99 0.00 -0.70 -4.50 107.32 101.40 1z94 s GLY 68 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1z94 s GLY 68 CO -0.11 1.81 0.00 0.61 0.00 0.00 0.00 173.10 175.41 1z94 n GLY 69 N -0.64 0.90 3.18 0.20 0.00 -0.03 -1.23 105.19 107.58 1z94 n GLY 69 Ca -0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 1.13 -0.28 1.61 1.81 -1.24 0.27 118.95 122.26 1z94 s ARG 70 Ca 0.00 -0.79 -0.27 0.00 -1.72 0.00 0.00 55.73 52.95 1z94 s ARG 70 Cb 0.00 -1.17 0.01 0.00 -0.45 0.00 0.00 34.95 33.34 1z94 s ARG 70 CO 0.00 0.30 0.96 0.71 -0.68 0.00 0.00 175.30 176.59 1z94 s TYR 71 N -0.77 3.24 -0.13 -0.53 2.02 -0.89 -0.99 117.35 119.31 1z94 s TYR 71 Ca 0.04 1.18 0.03 0.00 -0.37 0.00 0.00 57.07 57.95 1z94 s TYR 71 Cb -0.08 -3.36 -0.24 0.00 -0.40 0.00 0.00 41.96 37.89 1z94 s TYR 71 CO 0.01 -0.58 0.31 1.28 -1.57 0.00 0.00 175.55 175.00 1z94 n LEU 72 N 6.42 1.91 -3.79 -1.29 4.77 0.19 0.21 117.00 125.42 1z94 n LEU 72 Ca 0.09 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1z94 n LEU 72 Cb 0.47 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1z94 n LEU 72 CO 0.53 0.70 -0.21 -0.70 -1.33 0.00 0.00 177.39 176.38 1z94 s GLU 73 N -2.55 0.14 -0.18 3.23 2.12 -0.51 -4.75 118.70 116.19 1z94 s GLU 73 Ca -0.18 0.27 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 1z94 s GLU 73 Cb 0.07 -0.02 0.07 0.00 0.26 0.00 0.00 34.13 34.51 1z94 s GLU 73 CO 0.76 -0.08 0.13 -0.51 -0.54 0.00 0.00 175.26 175.02 1z94 s LEU 74 N 0.52 0.22 -0.28 2.70 1.43 -1.26 -1.08 118.68 120.94 1z94 s LEU 74 Ca -0.04 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1z94 s LEU 74 Cb -0.05 -0.07 0.08 0.00 0.03 0.00 0.00 46.19 46.17 1z94 s LEU 74 CO -0.02 -0.35 0.00 -0.69 0.23 0.00 0.00 176.35 175.52 1z94 s VAL 75 N 2.19 1.62 -0.23 -1.59 1.01 -0.11 -5.02 120.40 118.27 1z94 s VAL 75 Ca 0.04 -1.58 -0.37 0.00 0.00 0.00 0.00 61.98 60.06 1z94 s VAL 75 Cb -0.16 -2.03 -0.17 0.00 0.00 0.00 0.00 36.38 34.02 1z94 s VAL 75 CO -0.11 -0.35 1.16 -2.65 0.00 0.00 0.00 175.10 173.15 1z94 n PRO 76 N 4.58 0.00 -1.29 2.72 -0.02 -1.26 -1.10 135.00 138.64 1z94 n PRO 76 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.33 1z94 n PRO 76 Cb 0.43 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 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 2.45 0.96 0.00 -1.23 0.00 -1.26 -4.71 105.19 101.40 1z94 n GLY 77 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.82 0.01 -3.62 1.61 1.02 -0.26 -4.61 120.64 113.98 1z94 n GLU 78 Ca -0.10 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 1z94 n GLU 78 Cb 0.56 -0.51 -0.07 0.00 -0.02 0.00 0.00 31.44 31.40 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 -1.03 0.84 -0.03 3.49 3.52 -0.59 -0.84 118.95 124.32 1z94 s ARG 79 Ca 0.00 0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1z94 s ARG 79 Cb 0.00 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.83 1z94 s ARG 79 CO 0.00 -0.15 0.07 0.42 -0.81 0.00 0.00 175.30 174.82 1z94 s ILE 80 N -0.07 -0.05 -0.08 4.11 1.01 -0.14 -0.93 121.20 125.06 1z94 s ILE 80 Ca -0.03 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 1z94 s ILE 80 Cb -0.04 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 42.34 1z94 s ILE 80 CO 0.03 0.08 0.02 -0.60 0.00 0.00 0.00 174.94 174.47 1z94 s ARG 81 N 1.01 0.41 0.05 2.79 3.52 -0.24 0.33 118.95 126.82 1z94 s ARG 81 Ca -0.08 0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 1z94 s ARG 81 Cb -0.11 -0.97 -0.04 0.00 -1.56 0.00 0.00 34.95 32.27 1z94 s ARG 81 CO -0.04 -0.35 -0.02 1.52 -0.81 0.00 0.00 175.30 175.60 1z94 s TYR 82 N 2.02 0.47 0.37 5.12 1.13 -0.92 0.54 117.35 126.07 1z94 s TYR 82 Ca 0.04 -0.98 -0.02 0.00 -1.41 0.00 0.00 57.07 54.71 1z94 s TYR 82 Cb -0.13 -0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 40.34 1z94 s TYR 82 CO -0.05 -0.36 0.60 0.95 -2.51 0.00 0.00 175.55 174.19 1z94 s THR 83 N -3.55 5.04 -0.11 -3.49 -4.23 -0.16 -1.55 115.64 107.59 1z94 s THR 83 Ca 0.04 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.26 1z94 s THR 83 Cb 0.05 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 70.09 1z94 s THR 83 CO -0.09 -0.58 0.28 -0.62 -0.54 0.00 0.00 174.62 173.08 1z94 s ASP 84 N -3.87 -0.30 -0.18 3.99 -1.08 -1.26 -3.61 116.67 110.36 1z94 s ASP 84 Ca 0.42 0.58 -0.12 0.00 -0.52 0.00 0.00 52.55 52.91 1z94 s ASP 84 Cb -0.10 0.54 0.06 0.00 -1.46 0.00 0.00 42.92 41.96 1z94 s ASP 84 CO 0.37 -0.12 0.46 0.00 0.52 0.00 0.00 175.17 176.39 1z94 s ARG 85 N 0.54 0.47 0.24 4.34 1.70 -0.36 -4.63 118.95 121.25 1z94 s ARG 85 Ca -0.03 0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 55.84 1z94 s ARG 85 Cb -0.05 0.07 -0.08 0.00 -0.57 0.00 0.00 34.95 34.32 1z94 s ARG 85 CO -0.03 -0.13 0.74 -0.06 -1.08 0.00 0.00 175.30 174.73 1z94 s PHE 86 N 1.11 3.61 -1.29 5.89 0.08 -1.26 -1.71 117.98 124.41 1z94 s PHE 86 Ca -0.07 1.38 -0.17 0.00 0.12 0.00 0.00 56.93 58.19 1z94 s PHE 86 Cb -0.07 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.78 1z94 s PHE 86 CO -0.10 0.29 1.99 -0.25 -0.10 0.00 0.00 175.22 177.05 1z94 n ASP 87 N 0.54 3.98 -4.03 1.36 9.92 -0.56 -4.89 116.55 122.87 1z94 n ASP 87 Ca -0.01 -2.83 -0.15 0.00 -0.53 0.00 0.00 54.79 51.27 1z94 n ASP 87 Cb 0.51 -1.63 -0.13 0.00 -0.64 0.00 0.00 41.12 39.24 1z94 n ASP 87 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1z94 s ASP 88 N 4.11 0.85 0.71 -2.24 1.01 -1.26 -4.89 116.67 114.96 1z94 s ASP 88 Ca 0.53 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 53.29 1z94 s ASP 88 Cb 0.09 -0.01 0.02 0.00 1.01 0.00 0.00 42.92 44.03 1z94 s ASP 88 CO 0.02 -0.09 1.08 0.00 0.21 0.00 0.00 175.17 176.40 1z94 s ALA 89 N -0.89 2.46 0.00 5.23 0.00 -1.26 -2.88 121.76 124.42 1z94 s ALA 89 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1z94 s ALA 89 Cb -0.07 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1z94 s ALA 89 CO 0.00 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.75 1z94 n GLY 90 N -1.22 0.97 2.38 0.00 0.00 -1.26 -4.88 105.19 101.19 1z94 n GLY 90 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1z94 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1z94 n LEU 91 N 0.00 2.16 -0.04 0.99 4.77 -1.14 -4.94 117.00 118.80 1z94 n LEU 91 Ca 0.00 -5.15 -0.12 0.00 -0.03 0.00 0.00 56.01 50.71 1z94 n LEU 91 Cb 0.00 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1z94 n LEU 91 CO 0.00 2.15 0.47 1.55 -1.33 0.00 0.00 177.39 180.22 1z94 h PRO 92 N 3.73 0.74 -7.37 3.23 0.13 -1.90 -3.44 132.00 127.13 1z94 h PRO 92 Ca 0.13 -0.46 -0.50 0.00 -0.87 0.00 0.00 66.00 64.30 1z94 h PRO 92 Cb 0.76 0.05 0.11 0.00 0.13 0.00 0.00 31.00 32.06 1z94 h PRO 92 CO 0.65 1.08 0.33 0.20 -0.23 0.00 0.00 178.00 180.03 1z94 s GLY 93 N -4.03 1.64 0.00 1.56 0.00 -1.26 -5.11 107.32 100.12 1z94 s GLY 93 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1z94 s GLY 93 CO 0.87 0.35 0.00 2.09 0.00 0.00 0.00 173.10 176.41 1z94 n ASP 94 N -3.42 0.00 -3.63 1.64 5.68 -1.26 -4.88 116.55 110.68 1z94 n ASP 94 Ca 0.07 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.32 1z94 n ASP 94 Cb 0.55 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.47 1z94 n ASP 94 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1z94 s ILE 96 N 2.63 -0.15 -0.05 2.12 -0.00 -0.96 -4.84 121.20 119.94 1z94 s ILE 96 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.69 1z94 s ILE 96 Cb 0.00 -1.00 -0.00 0.00 -0.00 0.00 0.00 42.46 41.46 1z94 s ILE 96 CO 0.00 0.00 -0.18 0.28 -0.00 0.00 0.00 174.94 175.04 1z94 s THR 97 N 1.77 1.51 -0.11 8.37 -1.32 -0.59 -1.69 115.64 123.58 1z94 s THR 97 Ca -0.09 -0.75 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 1z94 s THR 97 Cb -0.06 -1.31 0.01 0.00 -1.51 0.00 0.00 72.50 69.63 1z94 s THR 97 CO -0.18 0.43 -0.22 0.42 -2.21 0.00 0.00 174.62 172.86 1z94 s THR 98 N 0.12 1.94 -0.18 5.08 -4.23 -0.05 -2.17 115.64 116.15 1z94 s THR 98 Ca -0.07 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.45 1z94 s THR 98 Cb -0.13 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 1z94 s THR 98 CO 0.03 0.53 0.04 -0.63 -0.54 0.00 0.00 174.62 174.05 1z94 s ILE 99 N 0.56 4.61 -0.06 2.99 1.09 0.15 -1.77 121.20 128.76 1z94 s ILE 99 Ca -0.14 -0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.34 1z94 s ILE 99 Cb -0.17 -3.06 0.00 0.00 -1.06 0.00 0.00 42.46 38.17 1z94 s ILE 99 CO 0.05 0.47 -0.16 0.42 -0.10 0.00 0.00 174.94 175.61 1z94 s THR 100 N 0.35 1.40 0.07 2.92 -4.23 0.13 -0.96 115.64 115.33 1z94 s THR 100 Ca 0.02 -0.67 0.09 0.00 -1.18 0.00 0.00 61.69 59.94 1z94 s THR 100 Cb -0.13 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 1z94 s THR 100 CO 0.01 0.41 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.50 1z94 s LEU 101 N 0.28 2.22 -0.01 4.79 1.43 -0.02 -1.28 118.68 126.09 1z94 s LEU 101 Ca -0.09 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1z94 s LEU 101 Cb -0.14 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1z94 s LEU 101 CO 0.03 0.17 0.13 0.00 0.23 0.00 0.00 176.35 176.91 1z94 s ALA 102 N -0.93 -0.32 0.66 4.21 0.00 -0.89 -4.51 121.76 119.97 1z94 s ALA 102 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1z94 s ALA 102 Cb -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1z94 s ALA 102 CO 0.03 -0.17 1.06 -1.25 0.00 0.00 0.00 175.76 175.43 1z94 s PRO 103 N -0.98 3.07 0.03 0.00 0.04 -1.26 -0.74 135.00 135.16 1z94 s PRO 103 Ca -0.11 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1z94 s PRO 103 Cb -0.06 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1z94 s PRO 103 CO 0.01 -1.00 0.26 -0.51 0.04 0.00 0.00 177.00 175.80 1z94 s LEU 104 N -5.12 1.08 0.45 -3.56 1.43 -0.74 -4.69 118.68 107.54 1z94 s LEU 104 Ca 0.60 -0.22 0.12 0.00 -1.03 0.00 0.00 54.13 53.60 1z94 s LEU 104 Cb -0.15 1.17 1.00 0.00 0.03 0.00 0.00 46.19 48.24 1z94 s LEU 104 CO 0.47 -0.56 2.04 0.77 0.23 0.00 0.00 176.35 179.30 1z94 h SER 105 N 3.43 0.17 1.68 2.29 4.64 -1.99 -0.22 113.55 123.55 1z94 h SER 105 Ca -0.32 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1z94 h SER 105 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1z94 h SER 105 CO 0.46 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1z94 n GLY 107 N 1.12 -0.54 3.29 0.00 0.00 -0.09 -3.93 105.19 105.03 1z94 n GLY 107 Ca 0.05 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.92 -0.23 4.61 0.00 0.41 -1.78 121.76 122.84 1z94 s ALA 108 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1z94 s ALA 108 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1z94 s ALA 108 CO 0.00 -0.32 0.08 0.34 0.00 0.00 0.00 175.76 175.86 1z94 s ASP 109 N -1.50 5.39 -0.13 0.00 -1.08 0.08 -0.35 116.67 119.08 1z94 s ASP 109 Ca -0.11 -0.09 -0.01 0.00 -0.52 0.00 0.00 52.55 51.83 1z94 s ASP 109 Cb -0.03 -1.96 -0.02 0.00 -1.46 0.00 0.00 42.92 39.45 1z94 s ASP 109 CO 0.03 0.04 -0.10 -0.22 0.52 0.00 0.00 175.17 175.44 1z94 s LEU 110 N 1.18 2.88 -0.05 -1.34 2.96 0.18 -2.10 118.68 122.38 1z94 s LEU 110 Ca 0.05 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1z94 s LEU 110 Cb -0.14 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1z94 s LEU 110 CO 0.04 0.19 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.67 1z94 s SER 111 N 0.22 1.90 -0.02 3.68 0.01 -0.40 -1.58 113.70 117.50 1z94 s SER 111 Ca -0.07 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 56.92 1z94 s SER 111 Cb -0.15 -0.71 -0.01 0.00 0.21 0.00 0.00 66.02 65.37 1z94 s SER 111 CO 0.04 0.09 -0.16 -0.63 0.41 0.00 0.00 173.24 172.99 1z94 s ILE 112 N 0.36 1.30 -0.05 1.44 1.01 -0.44 -0.69 121.20 124.13 1z94 s ILE 112 Ca -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1z94 s ILE 112 Cb -0.13 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.27 1z94 s ILE 112 CO 0.03 0.37 0.01 0.54 0.00 0.00 0.00 174.94 175.89 1z94 s VAL 113 N -0.23 0.25 -0.21 2.92 0.11 -0.73 -1.20 120.40 121.31 1z94 s VAL 113 Ca 0.03 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1z94 s VAL 113 Cb -0.08 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1z94 s VAL 113 CO 0.00 0.21 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.29 1z94 s GLN 114 N 1.66 2.15 0.29 1.54 0.74 0.45 -0.87 119.66 125.62 1z94 s GLN 114 Ca -0.00 -0.96 0.10 0.00 0.05 0.00 0.00 55.36 54.55 1z94 s GLN 114 Cb -0.13 -2.54 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 1z94 s GLN 114 CO -0.03 -0.45 -0.06 -1.83 -0.55 0.00 0.00 175.29 172.37 1z94 s GLU 115 N 1.32 2.04 0.00 1.67 -1.05 -0.68 0.35 118.70 122.34 1z94 s GLU 115 Ca -0.03 -1.64 0.00 0.00 -0.15 0.00 0.00 54.97 53.16 1z94 s GLU 115 Cb -0.17 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.56 1z94 s GLU 115 CO -0.08 0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.82 1z94 n GLY 116 N -0.83 0.66 3.66 -3.83 0.00 -1.10 -2.26 105.19 101.48 1z94 n GLY 116 Ca -0.05 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.00 3.82 0.20 -0.61 1.01 -0.48 -4.75 121.20 118.39 1z94 s ILE 117 Ca 0.00 0.98 -0.32 0.00 0.00 0.00 0.00 60.65 61.32 1z94 s ILE 117 Cb 0.00 -3.64 -0.15 0.00 0.01 0.00 0.00 42.46 38.68 1z94 s ILE 117 CO 0.00 -0.09 1.24 -2.65 0.00 0.00 0.00 174.94 173.43 1z94 n PRO 118 N 6.98 1.48 0.28 2.79 -0.02 -1.26 -0.03 135.00 145.21 1z94 n PRO 118 Ca 0.16 0.53 0.17 0.00 -2.02 0.00 0.00 63.50 62.33 1z94 n PRO 118 Cb 0.43 -2.07 0.81 0.00 -0.02 0.00 0.00 33.50 32.65 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 3.56 0.00 0.48 2.55 3.45 -1.91 0.13 116.42 124.68 1z94 h ASP 119 Ca -0.44 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.94 1z94 h ASP 119 Cb 1.32 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 1z94 h ASP 119 CO 0.71 0.00 -0.40 0.00 -1.57 0.00 0.00 179.24 177.99 1z94 h ALA 120 N 1.39 1.26 -2.36 3.45 0.00 -2.01 -3.41 119.26 117.58 1z94 h ALA 120 Ca 0.04 -0.36 -0.63 0.00 0.00 0.00 0.00 54.91 53.97 1z94 h ALA 120 Cb 0.75 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 1z94 h ALA 120 CO -0.00 0.50 0.14 0.42 0.00 0.00 0.00 179.25 180.31 1z94 s ILE 121 N -4.01 4.91 -0.05 0.00 -1.09 0.46 -5.02 121.20 116.39 1z94 s ILE 121 Ca -0.02 0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 58.79 1z94 s ILE 121 Cb 0.14 -4.04 -0.06 0.00 -1.58 0.00 0.00 42.46 36.91 1z94 s ILE 121 CO 0.72 -0.24 1.77 -2.16 -1.23 0.00 0.00 174.94 173.79 1z94 s PRO 122 N 2.66 4.08 0.41 2.79 0.04 -1.26 -4.83 135.00 138.89 1z94 s PRO 122 Ca 0.25 2.25 0.23 0.00 0.04 0.00 0.00 61.00 63.77 1z94 s PRO 122 Cb -0.15 -4.06 1.24 0.00 0.04 0.00 0.00 34.50 31.57 1z94 s PRO 122 CO 0.14 -0.99 1.70 -1.35 0.04 0.00 0.00 177.00 176.54 1z94 h PRO 123 N 10.25 0.25 -0.94 0.56 0.11 -1.92 0.89 132.00 141.19 1z94 h PRO 123 Ca -0.42 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.74 1z94 h PRO 123 Cb 1.20 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1z94 h PRO 123 CO 0.96 0.16 0.61 1.05 -0.21 0.00 0.00 178.00 180.57 1z94 h GLU 124 N 0.26 1.06 -0.46 1.05 4.11 -2.00 -1.11 114.58 117.49 1z94 h GLU 124 Ca 0.70 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 60.01 1z94 h GLU 124 Cb 1.96 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1z94 h GLU 124 CO -0.37 0.70 0.08 -0.91 0.07 0.00 0.00 179.01 178.59 1z94 h ASN 125 N 1.09 0.66 -0.56 3.06 4.21 -1.20 -1.67 115.58 121.18 1z94 h ASN 125 Ca 0.40 -0.12 -0.11 0.00 1.21 0.00 0.00 56.30 57.69 1z94 h ASN 125 Cb 0.16 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 1z94 h ASN 125 CO -0.15 0.67 -0.06 0.00 -1.29 0.00 0.00 177.43 176.60 1z94 h TYR 127 N 0.93 0.34 -0.40 0.00 0.05 -0.74 -0.27 116.97 116.88 1z94 h TYR 127 Ca 0.15 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.95 1z94 h TYR 127 Cb 0.62 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1z94 h TYR 127 CO 0.04 0.33 0.21 -0.07 -1.05 0.00 0.00 178.16 177.62 1z94 h LEU 128 N 0.25 0.32 0.15 3.88 3.38 -1.21 0.16 115.31 122.25 1z94 h LEU 128 Ca 0.08 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1z94 h LEU 128 Cb 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1z94 h LEU 128 CO -0.01 0.23 -0.21 1.23 0.09 0.00 0.00 178.44 179.77 1z94 h GLY 129 N 0.43 -0.42 1.25 0.83 0.00 -1.00 -2.02 103.07 102.14 1z94 h GLY 129 Ca 0.17 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1z94 h GLY 129 CO -0.10 -0.20 0.38 1.49 0.00 0.00 0.00 176.54 178.11 1z94 h TRP 130 N -0.42 0.97 -0.95 5.60 4.06 -0.71 -1.04 115.95 123.45 1z94 h TRP 130 Ca 0.01 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.95 1z94 h TRP 130 Cb 0.42 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.23 1z94 h TRP 130 CO -0.18 0.68 0.62 1.96 -3.56 0.00 0.00 178.44 177.95 1z94 h GLN 131 N 0.99 1.25 -0.23 0.49 4.20 -0.39 0.38 115.11 121.81 1z94 h GLN 131 Ca 0.25 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 1z94 h GLN 131 Cb 0.04 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1z94 h GLN 131 CO -0.04 0.84 -0.27 1.96 -0.67 0.00 0.00 178.83 180.65 1z94 h GLN 132 N 1.29 0.58 -0.66 1.46 4.20 -0.71 -2.54 115.11 118.73 1z94 h GLN 132 Ca 0.35 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1z94 h GLN 132 Cb -0.13 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1z94 h GLN 132 CO -0.07 0.92 0.28 0.77 -0.67 0.00 0.00 178.83 180.06 1z94 h SER 133 N 0.28 0.90 -0.13 1.46 0.02 -0.65 -2.61 113.55 112.82 1z94 h SER 133 Ca 0.03 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 1z94 h SER 133 Cb 0.83 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1z94 h SER 133 CO 0.06 0.81 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.40 1z94 h LEU 134 N 0.93 0.43 -0.67 5.07 3.38 -0.24 0.11 115.31 124.32 1z94 h LEU 134 Ca 0.22 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1z94 h LEU 134 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1z94 h LEU 134 CO -0.02 0.57 -0.21 0.11 0.09 0.00 0.00 178.44 178.97 1z94 h LYS 135 N 0.42 0.81 -0.35 1.13 1.57 -1.19 -1.46 116.57 117.51 1z94 h LYS 135 Ca 0.08 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 1z94 h LYS 135 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1z94 h LYS 135 CO 0.02 0.95 -0.39 1.96 -0.57 0.00 0.00 179.45 181.42 1z94 h GLN 136 N 0.71 0.83 -0.16 3.15 4.20 -1.07 -2.69 115.11 120.08 1z94 h GLN 136 Ca 0.10 -0.44 0.01 0.00 0.06 0.00 0.00 58.65 58.39 1z94 h GLN 136 Cb 0.73 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1z94 h GLN 136 CO 0.06 1.07 0.07 1.25 -0.67 0.00 0.00 178.83 180.61 1z94 h LEU 137 N 0.68 0.09 -0.72 1.46 5.85 -0.53 -2.43 115.31 119.72 1z94 h LEU 137 Ca 0.06 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1z94 h LEU 137 Cb 0.96 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1z94 h LEU 137 CO 0.09 0.08 0.42 0.00 -0.34 0.00 0.00 178.44 178.69 1z94 h ALA 138 N 1.09 0.96 -0.08 1.25 0.00 -1.20 -0.83 119.26 120.45 1z94 h ALA 138 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1z94 h ALA 138 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1z94 h ALA 138 CO -0.06 0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.20 1z94 h ALA 139 N 1.35 1.66 0.00 0.00 0.00 -1.22 -0.83 119.26 120.22 1z94 h ALA 139 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1z94 h ALA 139 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1z94 h ALA 139 CO -0.17 0.25 -0.02 1.25 0.00 0.00 0.00 179.25 180.57 1z94 h LEU 140 N 0.12 0.01 0.00 0.00 5.85 -0.87 -3.39 115.31 117.03 1z94 h LEU 140 Ca 0.03 -0.95 -0.12 0.00 0.84 0.00 0.00 57.88 57.67 1z94 h LEU 140 Cb 0.28 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1z94 h LEU 140 CO 0.02 0.97 -0.68 1.62 -0.34 0.00 0.00 178.44 180.02 1z94 h VAL 141 N -0.94 0.88 -0.06 1.05 3.04 -1.15 -3.37 116.25 115.71 1z94 h VAL 141 Ca -0.00 -2.29 -0.17 0.00 -1.01 0.00 0.00 66.70 63.23 1z94 h VAL 141 Cb 0.97 2.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.64 1z94 h VAL 141 CO 0.00 0.50 -0.71 -0.33 -1.01 0.00 0.00 177.57 176.03 1z94 h GLU 142 N 0.00 0.29 -6.78 4.17 5.08 -1.36 -3.44 114.58 112.55 1z94 h GLU 142 Ca -0.03 -0.23 -0.57 0.00 -1.00 0.00 0.00 59.36 57.53 1z94 h GLU 142 Cb 1.45 0.05 0.14 0.00 0.50 0.00 0.00 28.75 30.89 1z94 h GLU 142 CO 0.07 0.88 0.23 -2.30 -1.00 0.00 0.00 179.01 176.89 1z94 n PRO 143 N -3.81 1.29 -0.73 2.33 -0.02 -1.26 -4.84 135.00 127.95 1z94 n PRO 143 Ca -0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1z94 n PRO 143 Cb 0.69 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1z94 n PRO 143 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01