#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ze3 s VAL 2 N 0.00 4.91 0.11 1.61 1.01 -1.26 -1.23 120.40 125.55 1ze3 s VAL 2 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.10 1ze3 s VAL 2 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1ze3 s VAL 2 CO 0.00 0.41 -0.25 0.00 0.00 0.00 0.00 175.10 175.26 1ze3 s ALA 3 N 0.76 2.20 0.32 5.51 0.00 0.21 -4.93 121.76 125.82 1ze3 s ALA 3 Ca 0.05 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1ze3 s ALA 3 Cb -0.13 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 1ze3 s ALA 3 CO 0.02 0.49 0.68 -0.51 0.00 0.00 0.00 175.76 176.44 1ze3 s LEU 4 N -1.87 4.01 0.00 0.00 1.43 -1.26 -0.73 118.68 120.27 1ze3 s LEU 4 Ca 0.12 1.08 0.29 0.00 -1.03 0.00 0.00 54.13 54.58 1ze3 s LEU 4 Cb -0.10 -3.90 1.29 0.00 0.03 0.00 0.00 46.19 43.51 1ze3 s LEU 4 CO 0.05 -0.24 1.90 0.61 0.23 0.00 0.00 176.35 178.91 1ze3 n GLY 5 N -0.69 -1.08 3.24 -3.19 0.00 0.33 -4.88 105.19 98.92 1ze3 n GLY 5 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1ze3 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ze3 s ALA 6 N -2.55 -0.54 -1.87 4.61 0.00 -1.26 -4.90 121.76 115.25 1ze3 s ALA 6 Ca 0.27 -0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.19 1ze3 s ALA 6 Cb 0.20 0.43 0.43 0.00 0.00 0.00 0.00 23.12 24.18 1ze3 s ALA 6 CO 0.48 -0.48 1.36 0.25 0.00 0.00 0.00 175.76 177.37 1ze3 n THR 7 N 0.25 0.72 -3.60 0.00 -2.24 -1.26 -4.98 114.28 103.16 1ze3 n THR 7 Ca -0.17 -0.86 -0.04 0.00 -2.27 0.00 0.00 64.05 60.71 1ze3 n THR 7 Cb 0.61 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 1ze3 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ze3 s ARG 8 N -1.18 0.26 -0.09 -0.78 1.70 -1.26 -4.17 118.95 113.43 1ze3 s ARG 8 Ca 0.36 -0.10 -0.01 0.00 -0.47 0.00 0.00 55.73 55.52 1ze3 s ARG 8 Cb 0.20 0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1ze3 s ARG 8 CO 0.27 -0.12 -0.05 0.08 -1.08 0.00 0.00 175.30 174.41 1ze3 s VAL 9 N -2.36 0.75 -0.37 4.99 1.01 -0.12 -4.99 120.40 119.31 1ze3 s VAL 9 Ca 0.10 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 1ze3 s VAL 9 Cb -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1ze3 s VAL 9 CO -0.04 0.32 0.39 -0.63 0.00 0.00 0.00 175.10 175.14 1ze3 s ILE 10 N 1.72 5.13 -0.49 2.22 -1.09 -1.26 -0.76 121.20 126.68 1ze3 s ILE 10 Ca 0.03 -0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.21 1ze3 s ILE 10 Cb -0.13 -3.90 0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1ze3 s ILE 10 CO -0.06 -0.21 0.46 -0.47 -1.23 0.00 0.00 174.94 173.43 1ze3 s TYR 11 N 2.07 3.20 0.06 3.97 6.14 0.15 -4.96 117.35 127.97 1ze3 s TYR 11 Ca 0.12 -0.90 -0.31 0.00 0.64 0.00 0.00 57.07 56.62 1ze3 s TYR 11 Cb -0.17 -3.34 -0.07 0.00 0.42 0.00 0.00 41.96 38.81 1ze3 s TYR 11 CO 0.12 -0.88 1.45 -2.14 0.64 0.00 0.00 175.55 174.74 1ze3 s PRO 12 N 1.85 4.28 0.32 4.97 0.02 -1.26 -0.89 135.00 144.29 1ze3 s PRO 12 Ca 0.06 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 1ze3 s PRO 12 Cb -0.24 -3.46 -0.12 0.00 0.02 0.00 0.00 34.50 30.70 1ze3 s PRO 12 CO 0.07 -0.56 1.43 0.00 -0.33 0.00 0.00 177.00 177.61 1ze3 n ALA 13 N 4.90 1.84 0.00 -1.55 0.00 -0.43 -1.79 120.51 123.47 1ze3 n ALA 13 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1ze3 n ALA 13 Cb 0.42 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1ze3 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ze3 n GLY 14 N 1.21 3.02 3.76 0.00 0.00 -1.26 -4.70 105.19 107.22 1ze3 n GLY 14 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ze3 n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ze3 s GLN 15 N -0.49 4.43 0.25 1.61 -1.52 -0.74 -4.93 119.66 118.27 1ze3 s GLN 15 Ca 0.00 2.08 0.04 0.00 -1.95 0.00 0.00 55.36 55.52 1ze3 s GLN 15 Cb 0.00 -3.14 0.32 0.00 -0.22 0.00 0.00 33.01 29.97 1ze3 s GLN 15 CO 0.00 -0.12 1.62 -0.22 -0.25 0.00 0.00 175.29 176.31 1ze3 h LYS 16 N 4.12 0.31 -2.34 2.91 1.63 -1.95 -3.43 116.57 117.83 1ze3 h LYS 16 Ca -0.47 -0.18 0.15 0.00 -0.85 0.00 0.00 60.65 59.30 1ze3 h LYS 16 Cb 1.22 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.75 1ze3 h LYS 16 CO 0.70 0.74 0.48 1.14 -3.45 0.00 0.00 179.45 179.05 1ze3 s GLN 17 N -4.01 1.06 0.08 1.90 -2.07 -1.26 -4.27 119.66 111.09 1ze3 s GLN 17 Ca -0.05 -0.52 0.02 0.00 -1.82 0.00 0.00 55.36 52.99 1ze3 s GLN 17 Cb 0.13 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.41 1ze3 s GLN 17 CO 0.79 -0.48 -0.08 -1.21 -1.32 0.00 0.00 175.29 173.00 1ze3 s GLU 18 N -3.24 0.72 0.28 9.60 0.41 -0.60 -4.97 118.70 120.90 1ze3 s GLU 18 Ca 0.09 -1.07 0.11 0.00 -0.41 0.00 0.00 54.97 53.69 1ze3 s GLU 18 Cb -0.01 -0.32 -0.05 0.00 -1.78 0.00 0.00 34.13 31.97 1ze3 s GLU 18 CO -0.02 0.03 -0.12 -0.65 -0.49 0.00 0.00 175.26 174.01 1ze3 s GLN 19 N -2.73 1.91 -0.11 1.61 -0.21 -1.26 -0.28 119.66 118.59 1ze3 s GLN 19 Ca 0.02 -1.64 -0.04 0.00 0.02 0.00 0.00 55.36 53.72 1ze3 s GLN 19 Cb -0.02 -1.91 0.06 0.00 1.00 0.00 0.00 33.01 32.13 1ze3 s GLN 19 CO -0.02 0.34 0.21 -1.17 -2.12 0.00 0.00 175.29 172.53 1ze3 s LEU 20 N -3.57 -0.18 0.27 2.90 2.96 -0.34 -4.96 118.68 115.75 1ze3 s LEU 20 Ca 0.31 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 1ze3 s LEU 20 Cb -0.05 0.47 -0.09 0.00 0.50 0.00 0.00 46.19 47.01 1ze3 s LEU 20 CO 0.17 -0.25 0.99 0.00 -1.32 0.00 0.00 176.35 175.94 1ze3 s ALA 21 N 2.35 3.32 -0.16 5.97 0.00 -1.26 -0.77 121.76 131.22 1ze3 s ALA 21 Ca 0.02 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 1ze3 s ALA 21 Cb -0.12 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1ze3 s ALA 21 CO -0.07 0.09 -0.07 0.08 0.00 0.00 0.00 175.76 175.79 1ze3 s VAL 22 N -1.27 1.17 -0.13 0.00 1.01 0.53 -0.51 120.40 121.19 1ze3 s VAL 22 Ca 0.44 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1ze3 s VAL 22 Cb -0.26 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1ze3 s VAL 22 CO 0.33 0.20 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 1ze3 s THR 23 N 1.62 2.44 -0.32 3.92 2.01 0.10 -0.42 115.64 124.98 1ze3 s THR 23 Ca 0.02 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 1ze3 s THR 23 Cb -0.15 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1ze3 s THR 23 CO -0.08 0.53 0.48 0.21 -0.69 0.00 0.00 174.62 175.07 1ze3 s ASN 24 N 0.63 6.31 0.00 3.53 2.47 -0.38 -0.62 114.94 126.88 1ze3 s ASN 24 Ca -0.10 0.09 0.26 0.00 0.42 0.00 0.00 52.86 53.53 1ze3 s ASN 24 Cb -0.16 -2.25 0.72 0.00 -1.45 0.00 0.00 41.25 38.11 1ze3 s ASN 24 CO 0.03 -0.39 1.56 0.59 -3.72 0.00 0.00 177.10 175.16 1ze3 n ASN 25 N 5.61 1.84 -4.33 -4.21 3.02 -0.36 -2.66 115.26 114.17 1ze3 n ASN 25 Ca -0.06 -1.54 -0.46 0.00 -0.03 0.00 0.00 54.58 52.50 1ze3 n ASN 25 Cb 0.49 0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1ze3 n ASN 25 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ze3 s ASP 26 N -2.10 6.18 0.27 6.41 1.01 -1.26 -4.81 116.67 122.37 1ze3 s ASP 26 Ca 0.32 -1.70 -0.01 0.00 0.71 0.00 0.00 52.55 51.88 1ze3 s ASP 26 Cb 0.20 -2.22 0.54 0.00 1.01 0.00 0.00 42.92 42.45 1ze3 s ASP 26 CO 0.37 -0.86 1.78 -0.33 0.21 0.00 0.00 175.17 176.34 1ze3 h GLU 27 N 8.90 0.68 -0.30 8.23 5.08 -1.86 -2.24 114.58 133.07 1ze3 h GLU 27 Ca -0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ze3 h GLU 27 Cb 1.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ze3 h GLU 27 CO 1.03 0.45 0.00 0.27 -1.00 0.00 0.00 179.01 179.75 1ze3 n ASN 28 N -4.82 1.93 -4.57 1.42 6.94 -1.26 -4.02 115.26 110.88 1ze3 n ASN 28 Ca 0.17 -1.89 -0.30 0.00 -0.02 0.00 0.00 54.58 52.55 1ze3 n ASN 28 Cb 0.42 -0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 37.54 1ze3 n ASN 28 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1ze3 s SER 29 N -1.23 4.34 -0.15 0.53 0.01 -0.84 -4.91 113.70 111.46 1ze3 s SER 29 Ca 0.28 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1ze3 s SER 29 Cb 0.15 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.59 1ze3 s SER 29 CO 0.21 0.17 -0.21 -0.89 0.41 0.00 0.00 173.24 172.93 1ze3 s THR 30 N -1.24 2.03 0.19 1.44 2.01 -1.26 -0.12 115.64 118.70 1ze3 s THR 30 Ca 0.21 -0.96 0.11 0.00 0.31 0.00 0.00 61.69 61.37 1ze3 s THR 30 Cb -0.11 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1ze3 s THR 30 CO 0.14 0.54 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.06 1ze3 s TYR 31 N 0.92 2.29 -0.22 4.92 2.02 -0.36 -3.45 117.35 123.47 1ze3 s TYR 31 Ca -0.05 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1ze3 s TYR 31 Cb -0.15 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1ze3 s TYR 31 CO -0.04 0.50 0.04 -1.17 -1.57 0.00 0.00 175.55 173.31 1ze3 s LEU 32 N -2.68 3.40 -0.31 -1.29 2.96 0.13 -0.42 118.68 120.47 1ze3 s LEU 32 Ca 0.21 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1ze3 s LEU 32 Cb -0.08 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1ze3 s LEU 32 CO 0.10 0.03 0.18 -0.63 -1.32 0.00 0.00 176.35 174.71 1ze3 s ILE 33 N 1.20 4.88 -0.20 6.68 -1.09 0.15 -0.44 121.20 132.38 1ze3 s ILE 33 Ca 0.04 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1ze3 s ILE 33 Cb -0.14 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1ze3 s ILE 33 CO 0.02 0.09 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.19 1ze3 s GLN 34 N 1.67 3.41 0.05 2.79 0.74 -0.47 -2.13 119.66 125.72 1ze3 s GLN 34 Ca 0.06 -0.62 0.07 0.00 0.05 0.00 0.00 55.36 54.91 1ze3 s GLN 34 Cb -0.17 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 1ze3 s GLN 34 CO 0.08 -0.08 -0.19 -1.12 -0.55 0.00 0.00 175.29 173.43 1ze3 s SER 35 N 1.18 2.24 0.16 6.67 0.01 -0.69 -0.60 113.70 122.66 1ze3 s SER 35 Ca 0.02 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 56.55 1ze3 s SER 35 Cb -0.14 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1ze3 s SER 35 CO -0.01 0.11 0.53 -1.66 0.41 0.00 0.00 173.24 172.61 1ze3 s TRP 36 N -0.88 -0.36 -0.04 2.43 -2.14 -0.49 -4.74 118.94 112.72 1ze3 s TRP 36 Ca 0.05 0.09 0.01 0.00 2.66 0.00 0.00 56.10 58.91 1ze3 s TRP 36 Cb -0.09 0.44 -0.03 0.00 -3.10 0.00 0.00 33.47 30.69 1ze3 s TRP 36 CO 0.02 -0.82 -0.03 0.08 -2.66 0.00 0.00 176.95 173.54 1ze3 s VAL 37 N -3.79 4.01 0.13 -0.66 1.01 -1.26 -1.07 120.40 118.77 1ze3 s VAL 37 Ca 0.03 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1ze3 s VAL 37 Cb -0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1ze3 s VAL 37 CO -0.11 0.49 -0.19 -1.61 0.00 0.00 0.00 175.10 173.68 1ze3 s GLU 38 N -1.20 1.15 0.40 2.72 2.02 -0.46 -0.91 118.70 122.41 1ze3 s GLU 38 Ca 0.16 -1.25 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 1ze3 s GLU 38 Cb -0.11 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 32.93 1ze3 s GLU 38 CO 0.06 0.27 0.55 0.27 0.02 0.00 0.00 175.26 176.43 1ze3 n ASN 39 N 0.73 0.32 0.32 -0.19 0.23 0.08 -0.59 115.26 116.15 1ze3 n ASN 39 Ca -0.17 -1.37 0.20 0.00 -0.53 0.00 0.00 54.58 52.71 1ze3 n ASN 39 Cb 0.55 -0.39 1.08 0.00 -2.08 0.00 0.00 39.78 38.94 1ze3 n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ze3 h ALA 40 N -1.26 1.24 -0.05 -2.53 0.00 -1.88 0.95 119.26 115.74 1ze3 h ALA 40 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ze3 h ALA 40 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ze3 h ALA 40 CO 0.15 -0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1ze3 n ASP 41 N -3.35 1.12 -0.24 0.00 8.00 -1.26 -4.90 116.55 115.92 1ze3 n ASP 41 Ca -0.03 -1.46 -0.03 0.00 0.71 0.00 0.00 54.79 53.98 1ze3 n ASP 41 Cb 0.12 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1ze3 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ze3 n GLY 42 N 1.09 0.63 3.79 0.44 0.00 0.33 -5.03 105.19 106.44 1ze3 n GLY 42 Ca 0.19 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1ze3 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ze3 s VAL 43 N -2.09 5.19 0.13 1.61 1.01 -1.26 -4.81 120.40 120.18 1ze3 s VAL 43 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 61.98 61.72 1ze3 s VAL 43 Cb 0.00 -3.28 -0.15 0.00 0.00 0.00 0.00 36.38 32.95 1ze3 s VAL 43 CO 0.00 0.56 1.43 1.17 0.00 0.00 0.00 175.10 178.26 1ze3 n LYS 44 N 2.50 1.61 -4.19 2.72 4.81 -1.26 -0.74 118.16 123.60 1ze3 n LYS 44 Ca -0.19 0.58 -0.16 0.00 -0.87 0.00 0.00 58.31 57.67 1ze3 n LYS 44 Cb 0.54 -2.26 -0.14 0.00 0.02 0.00 0.00 35.03 33.18 1ze3 n LYS 44 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ze3 s ASP 45 N 0.61 0.73 0.00 3.14 -1.08 -0.09 -4.78 116.67 115.20 1ze3 s ASP 45 Ca 0.80 -0.15 0.22 0.00 -0.52 0.00 0.00 52.55 52.91 1ze3 s ASP 45 Cb -0.82 -0.07 0.55 0.00 -1.46 0.00 0.00 42.92 41.12 1ze3 s ASP 45 CO 0.44 0.05 1.47 0.61 0.52 0.00 0.00 175.17 178.26 1ze3 n GLY 46 N 2.79 2.00 0.22 2.66 0.00 -1.26 -4.37 105.19 107.23 1ze3 n GLY 46 Ca -0.14 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.29 1ze3 n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ze3 h ARG 47 N 4.23 0.00 -4.53 1.61 3.08 -1.96 -3.39 114.38 113.42 1ze3 h ARG 47 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1ze3 h ARG 47 Cb 0.95 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.68 1ze3 h ARG 47 CO 0.00 0.00 -0.79 -0.06 -1.07 0.00 0.00 179.97 178.05 1ze3 s PHE 48 N -3.63 1.04 -0.13 3.04 0.08 -1.26 -0.12 117.98 117.00 1ze3 s PHE 48 Ca -0.00 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 1ze3 s PHE 48 Cb 0.09 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1ze3 s PHE 48 CO 0.38 -0.15 -0.00 0.42 -0.10 0.00 0.00 175.22 175.77 1ze3 s ILE 49 N 0.38 4.26 -0.15 0.64 1.01 -0.01 -4.74 121.20 122.59 1ze3 s ILE 49 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1ze3 s ILE 49 Cb -0.11 -2.84 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 1ze3 s ILE 49 CO 0.01 0.54 -0.15 0.54 0.00 0.00 0.00 174.94 175.88 1ze3 s VAL 50 N -0.18 2.72 -0.02 2.92 0.11 -1.26 0.43 120.40 125.12 1ze3 s VAL 50 Ca 0.05 -0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 1ze3 s VAL 50 Cb -0.13 -2.15 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 1ze3 s VAL 50 CO 0.02 0.52 0.07 0.28 -3.33 0.00 0.00 175.10 172.66 1ze3 s THR 51 N 0.75 0.02 0.17 5.04 -1.32 -0.18 -3.62 115.64 116.50 1ze3 s THR 51 Ca -0.06 -0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1ze3 s THR 51 Cb -0.15 -0.17 -0.08 0.00 -1.51 0.00 0.00 72.50 70.59 1ze3 s THR 51 CO 0.01 -0.11 1.17 -2.16 -2.21 0.00 0.00 174.62 171.32 1ze3 s PRO 52 N -0.33 4.52 0.20 7.08 0.04 -1.26 -0.69 135.00 144.55 1ze3 s PRO 52 Ca -0.04 1.81 0.23 0.00 0.04 0.00 0.00 61.00 63.05 1ze3 s PRO 52 Cb -0.03 -3.27 0.91 0.00 0.04 0.00 0.00 34.50 32.16 1ze3 s PRO 52 CO 0.00 -0.06 1.71 -0.35 0.04 0.00 0.00 177.00 178.34 1ze3 n PRO 53 N 2.64 0.18 -3.60 0.56 -0.04 -1.24 -4.67 135.00 128.83 1ze3 n PRO 53 Ca 0.04 0.32 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 1ze3 n PRO 53 Cb 0.45 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1ze3 n PRO 53 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ze3 s LEU 54 N -4.22 -0.93 0.15 1.53 2.96 -1.25 -1.70 118.68 115.22 1ze3 s LEU 54 Ca 0.07 1.22 -0.18 0.00 -0.22 0.00 0.00 54.13 55.01 1ze3 s LEU 54 Cb 0.11 1.84 0.04 0.00 0.50 0.00 0.00 46.19 48.68 1ze3 s LEU 54 CO 0.44 -0.23 0.48 0.72 -1.32 0.00 0.00 176.35 176.44 1ze3 s PHE 55 N 2.76 -0.27 -0.06 5.38 -0.12 -0.91 -4.98 117.98 119.78 1ze3 s PHE 55 Ca -0.01 -0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 1ze3 s PHE 55 Cb -0.12 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1ze3 s PHE 55 CO -0.16 -0.79 0.05 0.00 -0.05 0.00 0.00 175.22 174.27 1ze3 s ALA 56 N -3.81 3.50 -0.22 1.99 0.00 -1.26 0.34 121.76 122.31 1ze3 s ALA 56 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1ze3 s ALA 56 Cb 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.57 1ze3 s ALA 56 CO -0.10 0.63 -0.16 -1.64 0.00 0.00 0.00 175.76 174.50 1ze3 s MET 57 N -1.25 2.65 -0.34 0.00 -1.94 0.43 -4.97 119.30 113.88 1ze3 s MET 57 Ca 0.17 -1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 52.97 1ze3 s MET 57 Cb -0.12 -2.72 -0.00 0.00 2.01 0.00 0.00 34.83 34.00 1ze3 s MET 57 CO 0.07 -0.38 0.20 0.21 -0.01 0.00 0.00 175.02 175.12 1ze3 s LYS 58 N 1.21 3.24 0.96 2.03 2.20 -1.26 -1.22 119.74 126.89 1ze3 s LYS 58 Ca -0.01 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 1ze3 s LYS 58 Cb -0.16 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1ze3 s LYS 58 CO -0.09 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1ze3 n GLY 59 N 5.04 -1.97 3.65 5.54 0.00 0.83 -4.77 105.19 113.51 1ze3 n GLY 59 Ca -0.13 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1ze3 n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ze3 s LYS 60 N -0.23 4.06 0.08 1.61 2.20 -1.25 -4.71 119.74 121.51 1ze3 s LYS 60 Ca 0.00 1.66 -0.27 0.00 -0.36 0.00 0.00 55.97 57.00 1ze3 s LYS 60 Cb 0.00 -3.88 0.09 0.00 -1.51 0.00 0.00 37.83 32.52 1ze3 s LYS 60 CO 0.00 -0.94 1.08 -1.59 -0.36 0.00 0.00 175.35 173.54 1ze3 s LYS 61 N 3.98 0.89 -0.09 4.03 -2.85 -1.09 -5.00 119.74 119.62 1ze3 s LYS 61 Ca 0.62 -0.49 0.05 0.00 -1.00 0.00 0.00 55.97 55.14 1ze3 s LYS 61 Cb -0.23 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 35.84 1ze3 s LYS 61 CO 0.22 -0.41 -0.24 -2.00 0.10 0.00 0.00 175.35 173.02 1ze3 s GLU 62 N -2.96 2.91 0.04 1.78 2.12 -1.26 -1.25 118.70 120.07 1ze3 s GLU 62 Ca 0.13 -0.88 0.09 0.00 0.36 0.00 0.00 54.97 54.67 1ze3 s GLU 62 Cb 0.01 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 1ze3 s GLU 62 CO -0.00 0.24 -0.26 -0.80 -0.54 0.00 0.00 175.26 173.90 1ze3 s ASN 63 N 0.18 3.12 -0.17 -1.70 -0.87 0.44 -4.97 114.94 110.98 1ze3 s ASN 63 Ca -0.14 -0.57 -0.04 0.00 -1.57 0.00 0.00 52.86 50.53 1ze3 s ASN 63 Cb -0.17 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.25 40.74 1ze3 s ASN 63 CO 0.07 0.26 -0.02 -0.89 -2.57 0.00 0.00 177.10 173.96 1ze3 s THR 64 N -0.78 4.05 -0.08 1.60 2.01 -1.26 -0.35 115.64 120.83 1ze3 s THR 64 Ca 0.11 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1ze3 s THR 64 Cb -0.10 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 1ze3 s THR 64 CO 0.02 0.48 0.25 -0.76 -0.69 0.00 0.00 174.62 173.92 1ze3 s LEU 65 N 0.44 4.41 -0.11 4.42 1.43 0.05 -4.71 118.68 124.61 1ze3 s LEU 65 Ca -0.02 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1ze3 s LEU 65 Cb -0.14 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1ze3 s LEU 65 CO 0.02 0.36 0.02 -0.13 0.23 0.00 0.00 176.35 176.85 1ze3 s ARG 66 N -0.94 3.28 -0.19 1.70 0.52 0.13 -1.20 118.95 122.25 1ze3 s ARG 66 Ca 0.18 -0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 55.00 1ze3 s ARG 66 Cb -0.14 -2.92 -0.00 0.00 0.52 0.00 0.00 34.95 32.40 1ze3 s ARG 66 CO 0.08 0.59 -0.09 0.42 0.02 0.00 0.00 175.30 176.31 1ze3 s ILE 67 N -0.56 3.05 -0.07 1.52 1.01 0.61 -1.01 121.20 125.76 1ze3 s ILE 67 Ca 0.10 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1ze3 s ILE 67 Cb -0.12 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1ze3 s ILE 67 CO 0.02 0.47 -0.14 -0.76 0.00 0.00 0.00 174.94 174.53 1ze3 s LEU 68 N 1.15 2.71 -0.22 2.97 1.43 0.17 -1.56 118.68 125.34 1ze3 s LEU 68 Ca 0.01 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1ze3 s LEU 68 Cb -0.14 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1ze3 s LEU 68 CO -0.03 0.30 1.32 -0.62 0.23 0.00 0.00 176.35 177.55 1ze3 s ASP 69 N -0.48 6.79 -0.20 2.29 2.15 -1.26 -0.83 116.67 125.13 1ze3 s ASP 69 Ca 0.06 1.52 0.15 0.00 0.43 0.00 0.00 52.55 54.71 1ze3 s ASP 69 Cb -0.12 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.41 1ze3 s ASP 69 CO 0.02 -0.92 1.18 0.00 -0.17 0.00 0.00 175.17 175.28 1ze3 n ALA 70 N 7.14 3.60 0.71 3.66 0.00 0.83 -4.79 120.51 131.66 1ze3 n ALA 70 Ca 0.15 -3.15 0.13 0.00 0.00 0.00 0.00 53.44 50.56 1ze3 n ALA 70 Cb 0.45 -0.51 0.31 0.00 0.00 0.00 0.00 19.45 19.71 1ze3 n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ze3 n THR 71 N -0.59 0.32 -2.68 0.00 -2.24 -0.97 -4.57 114.28 103.55 1ze3 n THR 71 Ca 0.21 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.59 1ze3 n THR 71 Cb 0.88 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1ze3 n THR 71 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ze3 n ASN 72 N -1.97 -5.48 -1.55 3.42 5.03 -1.26 -1.76 115.26 111.68 1ze3 n ASN 72 Ca 0.05 -0.10 -0.19 0.00 0.87 0.00 0.00 54.58 55.21 1ze3 n ASN 72 Cb 0.41 -4.52 -0.08 0.00 -1.02 0.00 0.00 39.78 34.57 1ze3 n ASN 72 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1ze3 n ASN 73 N -2.16 -5.37 0.08 6.41 3.02 -1.26 -4.90 115.26 111.08 1ze3 n ASN 73 Ca -0.17 0.44 0.12 0.00 -0.03 0.00 0.00 54.58 54.95 1ze3 n ASN 73 Cb 0.64 -4.57 0.26 0.00 -0.61 0.00 0.00 39.78 35.50 1ze3 n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ze3 n GLN 74 N -2.47 0.28 -2.06 3.52 1.13 -0.72 -4.93 117.38 112.13 1ze3 n GLN 74 Ca -0.20 0.13 -0.33 0.00 -1.94 0.00 0.00 57.00 54.67 1ze3 n GLN 74 Cb 0.64 -1.73 0.01 0.00 0.11 0.00 0.00 30.24 29.28 1ze3 n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ze3 s LEU 75 N -4.31 3.51 0.34 1.08 1.43 -1.26 -4.97 118.68 114.50 1ze3 s LEU 75 Ca 0.08 1.81 -0.26 0.00 -1.03 0.00 0.00 54.13 54.73 1ze3 s LEU 75 Cb 0.13 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.69 1ze3 s LEU 75 CO 0.68 -1.15 0.99 -2.65 0.23 0.00 0.00 176.35 174.45 1ze3 n PRO 76 N -2.00 1.33 -0.13 1.29 -0.02 -1.26 -4.91 135.00 129.30 1ze3 n PRO 76 Ca 0.09 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1ze3 n PRO 76 Cb 0.53 -1.90 0.15 0.00 -0.02 0.00 0.00 33.50 32.26 1ze3 n PRO 76 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ze3 n GLN 77 N 0.53 2.10 -0.05 -0.52 1.13 -1.26 -4.37 117.38 114.94 1ze3 n GLN 77 Ca 0.09 -1.95 0.03 0.00 -1.94 0.00 0.00 57.00 53.23 1ze3 n GLN 77 Cb 0.35 -1.39 0.05 0.00 0.11 0.00 0.00 30.24 29.36 1ze3 n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1ze3 n ASP 78 N 1.09 2.02 -3.57 1.08 5.75 -1.26 -4.77 116.55 116.88 1ze3 n ASP 78 Ca 0.14 -1.66 -0.10 0.00 -0.01 0.00 0.00 54.79 53.17 1ze3 n ASP 78 Cb 0.49 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 1ze3 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ze3 s ARG 79 N -0.76 1.43 0.56 0.11 1.70 -1.26 -4.67 118.95 116.06 1ze3 s ARG 79 Ca 0.09 -0.64 -0.17 0.00 -0.47 0.00 0.00 55.73 54.55 1ze3 s ARG 79 Cb 0.05 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.97 1ze3 s ARG 79 CO 0.08 -0.64 1.04 -1.21 -1.08 0.00 0.00 175.30 173.49 1ze3 s GLU 80 N -3.78 3.50 -0.02 3.89 2.02 0.13 -4.51 118.70 119.93 1ze3 s GLU 80 Ca 0.05 1.18 0.08 0.00 0.02 0.00 0.00 54.97 56.30 1ze3 s GLU 80 Cb -0.03 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 1ze3 s GLU 80 CO -0.06 -0.66 -0.25 -1.12 0.02 0.00 0.00 175.26 173.19 1ze3 s SER 81 N -2.72 2.92 -0.16 -0.19 0.01 -0.82 -4.83 113.70 107.91 1ze3 s SER 81 Ca 0.63 -0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.36 1ze3 s SER 81 Cb -0.15 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 1ze3 s SER 81 CO 0.33 0.31 0.12 -0.22 0.41 0.00 0.00 173.24 174.19 1ze3 s LEU 82 N -0.59 4.18 0.16 2.44 2.96 -1.26 -1.20 118.68 125.38 1ze3 s LEU 82 Ca 0.10 0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1ze3 s LEU 82 Cb -0.10 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1ze3 s LEU 82 CO -0.01 0.27 0.06 -0.36 -1.32 0.00 0.00 176.35 174.99 1ze3 s PHE 83 N -0.19 1.06 -0.04 5.38 0.40 -0.21 -3.02 117.98 121.35 1ze3 s PHE 83 Ca 0.10 -1.20 0.04 0.00 -0.60 0.00 0.00 56.93 55.27 1ze3 s PHE 83 Cb -0.12 -0.58 -0.00 0.00 0.51 0.00 0.00 43.02 42.83 1ze3 s PHE 83 CO 0.01 -0.45 -0.16 -1.58 0.70 0.00 0.00 175.22 173.74 1ze3 s TRP 84 N -3.95 1.62 -0.12 0.36 0.52 0.25 -0.38 118.94 117.24 1ze3 s TRP 84 Ca 0.28 -0.46 -0.12 0.00 0.02 0.00 0.00 56.10 55.81 1ze3 s TRP 84 Cb 0.07 -1.10 -0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1ze3 s TRP 84 CO 0.05 -0.16 0.27 -1.64 0.02 0.00 0.00 176.95 175.49 1ze3 s MET 85 N 0.07 4.01 -0.12 4.98 -1.94 0.86 -1.36 119.30 125.81 1ze3 s MET 85 Ca -0.04 0.09 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 1ze3 s MET 85 Cb -0.11 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.41 1ze3 s MET 85 CO 0.02 0.45 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.55 1ze3 s ASN 86 N -0.18 2.39 -0.21 3.03 0.01 -0.23 -1.45 114.94 118.31 1ze3 s ASN 86 Ca 0.17 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1ze3 s ASN 86 Cb -0.13 -1.04 0.05 0.00 0.41 0.00 0.00 41.25 40.54 1ze3 s ASN 86 CO 0.05 -0.03 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.85 1ze3 s VAL 87 N 1.26 1.50 -0.19 1.60 1.01 -0.45 -1.40 120.40 123.72 1ze3 s VAL 87 Ca -0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1ze3 s VAL 87 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ze3 s VAL 87 CO -0.05 0.06 0.04 -0.75 0.00 0.00 0.00 175.10 174.40 1ze3 s LYS 88 N 1.44 3.82 -0.46 2.72 2.20 0.23 -1.11 119.74 128.58 1ze3 s LYS 88 Ca -0.03 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 1ze3 s LYS 88 Cb -0.17 -3.15 0.08 0.00 -1.51 0.00 0.00 37.83 33.08 1ze3 s LYS 88 CO -0.07 0.16 0.36 0.00 -0.36 0.00 0.00 175.35 175.43 1ze3 s ALA 89 N 0.64 3.47 -0.24 3.13 0.00 0.39 -1.36 121.76 127.79 1ze3 s ALA 89 Ca 0.02 -2.17 -0.19 0.00 0.00 0.00 0.00 51.96 49.62 1ze3 s ALA 89 Cb -0.13 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1ze3 s ALA 89 CO 0.02 -1.73 0.56 0.42 0.00 0.00 0.00 175.76 175.04 1ze3 s ILE 90 N 1.56 5.04 0.61 0.00 1.01 0.41 -2.78 121.20 127.05 1ze3 s ILE 90 Ca 0.04 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 1ze3 s ILE 90 Cb -0.24 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1ze3 s ILE 90 CO 0.05 0.08 1.02 -2.16 0.00 0.00 0.00 174.94 173.93 1ze3 s PRO 91 N 2.22 3.64 0.46 2.79 0.04 -1.26 -0.70 135.00 142.19 1ze3 s PRO 91 Ca 0.24 0.77 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1ze3 s PRO 91 Cb -0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1ze3 s PRO 91 CO 0.09 -0.53 0.26 -1.54 0.04 0.00 0.00 177.00 175.32 1ze3 s SER 92 N -4.05 4.57 0.13 6.66 1.04 -1.22 -4.88 113.70 115.94 1ze3 s SER 92 Ca 0.55 -1.11 -0.24 0.00 0.48 0.00 0.00 55.95 55.64 1ze3 s SER 92 Cb -0.11 -0.18 0.07 0.00 0.10 0.00 0.00 66.02 65.91 1ze3 s SER 92 CO 0.51 -0.74 0.64 0.00 0.98 0.00 0.00 173.24 174.63 1ze3 s MET 93 N -4.05 1.22 0.43 4.02 0.23 -1.26 -5.00 119.30 114.89 1ze3 s MET 93 Ca 0.38 -0.41 -0.24 0.00 -1.03 0.00 0.00 55.69 54.39 1ze3 s MET 93 Cb 0.01 0.56 -0.08 0.00 -1.53 0.00 0.00 34.83 33.79 1ze3 s MET 93 CO 0.22 -0.52 1.22 0.34 -2.03 0.00 0.00 175.02 174.25 1ze3 s ASP 94 N -2.63 6.24 0.38 -1.18 -1.08 -1.26 -4.88 116.67 112.27 1ze3 s ASP 94 Ca 0.01 2.46 0.27 0.00 -0.52 0.00 0.00 52.55 54.77 1ze3 s ASP 94 Cb -0.01 -2.62 1.35 0.00 -1.46 0.00 0.00 42.92 40.18 1ze3 s ASP 94 CO -0.11 -0.88 1.82 0.11 0.52 0.00 0.00 175.17 176.63 1ze3 h LYS 95 N 2.37 0.00 0.00 4.34 1.57 -2.03 -1.33 116.57 121.49 1ze3 h LYS 95 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ze3 h LYS 95 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ze3 h LYS 95 CO 0.61 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.15 1ze3 h SER 96 N 0.00 0.00 1.17 0.86 4.64 -2.04 -2.02 113.55 116.17 1ze3 h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ze3 h SER 96 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ze3 h SER 96 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1ze3 n LYS 97 N -2.85 0.12 0.17 4.77 4.76 -0.50 -3.57 118.16 121.05 1ze3 n LYS 97 Ca 0.00 0.11 0.13 0.00 -2.87 0.00 0.00 58.31 55.68 1ze3 n LYS 97 Cb 0.24 -1.64 0.60 0.00 -1.84 0.00 0.00 35.03 32.38 1ze3 n LYS 97 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1ze3 h LEU 98 N 0.00 0.00 -2.98 -0.35 3.38 -1.54 -1.15 115.31 112.67 1ze3 h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ze3 h LEU 98 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ze3 h LEU 98 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1ze3 n THR 99 N -2.37 1.44 -4.70 0.22 -2.24 -1.23 -4.97 114.28 100.43 1ze3 n THR 99 Ca 0.00 -1.15 -0.31 0.00 -2.27 0.00 0.00 64.05 60.32 1ze3 n THR 99 Cb 0.14 0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 1ze3 n THR 99 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ze3 s GLU 100 N -1.48 2.12 -0.25 -0.78 2.02 -0.44 -5.11 118.70 114.78 1ze3 s GLU 100 Ca 0.44 -2.34 -0.16 0.00 0.02 0.00 0.00 54.97 52.94 1ze3 s GLU 100 Cb 0.27 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 1ze3 s GLU 100 CO 0.24 -0.36 0.41 -0.80 0.02 0.00 0.00 175.26 174.77 1ze3 s ASN 101 N -3.81 6.33 0.06 -0.19 0.01 -1.26 -5.04 114.94 111.03 1ze3 s ASN 101 Ca 0.11 0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1ze3 s ASN 101 Cb 0.02 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1ze3 s ASN 101 CO 0.06 -0.18 -0.03 0.42 -1.51 0.00 0.00 177.10 175.86 1ze3 s THR 102 N 1.95 0.24 -0.07 1.60 -4.23 -1.26 -5.13 115.64 108.74 1ze3 s THR 102 Ca 0.17 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1ze3 s THR 102 Cb -0.15 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.16 1ze3 s THR 102 CO 0.09 -0.97 -0.00 -0.22 -0.54 0.00 0.00 174.62 172.98 1ze3 s LEU 103 N -2.93 0.62 -0.09 4.79 2.96 -1.26 -5.14 118.68 117.62 1ze3 s LEU 103 Ca 0.08 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1ze3 s LEU 103 Cb 0.08 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.28 1ze3 s LEU 103 CO -0.09 -0.19 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.58 1ze3 s GLN 104 N 1.95 3.01 -0.14 1.98 -0.21 -1.26 -5.11 119.66 119.88 1ze3 s GLN 104 Ca 0.05 -0.56 -0.02 0.00 0.02 0.00 0.00 55.36 54.85 1ze3 s GLN 104 Cb -0.12 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.21 1ze3 s GLN 104 CO -0.05 0.53 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.04 1ze3 s LEU 105 N -0.44 2.94 -0.18 2.90 1.43 -1.26 -5.10 118.68 118.98 1ze3 s LEU 105 Ca 0.06 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1ze3 s LEU 105 Cb -0.12 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1ze3 s LEU 105 CO 0.02 0.16 0.03 0.00 0.23 0.00 0.00 176.35 176.80 1ze3 s ALA 106 N 0.37 3.25 -0.11 4.21 0.00 -1.26 -4.53 121.76 123.69 1ze3 s ALA 106 Ca -0.08 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1ze3 s ALA 106 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1ze3 s ALA 106 CO 0.04 0.11 0.30 0.42 0.00 0.00 0.00 175.76 176.63 1ze3 s ILE 107 N 0.52 5.27 -0.08 0.00 -1.09 -1.12 -4.89 121.20 119.81 1ze3 s ILE 107 Ca 0.01 0.57 0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1ze3 s ILE 107 Cb -0.13 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1ze3 s ILE 107 CO 0.02 0.48 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.38 1ze3 s ILE 108 N -0.21 1.71 -0.16 2.92 1.01 -1.26 -0.46 121.20 124.75 1ze3 s ILE 108 Ca 0.18 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1ze3 s ILE 108 Cb -0.14 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 1ze3 s ILE 108 CO 0.07 0.48 -0.00 -0.44 0.00 0.00 0.00 174.94 175.04 1ze3 s SER 109 N 0.39 5.08 -0.17 3.58 0.01 -0.27 -4.96 113.70 117.36 1ze3 s SER 109 Ca -0.16 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.05 1ze3 s SER 109 Cb -0.17 -1.84 0.03 0.00 0.21 0.00 0.00 66.02 64.25 1ze3 s SER 109 CO 0.06 0.17 -0.13 -0.60 0.41 0.00 0.00 173.24 173.15 1ze3 s ARG 110 N 0.37 2.27 0.17 12.44 3.52 -1.26 -1.35 118.95 135.11 1ze3 s ARG 110 Ca -0.02 -0.71 0.07 0.00 -0.13 0.00 0.00 55.73 54.94 1ze3 s ARG 110 Cb -0.14 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1ze3 s ARG 110 CO 0.02 -0.31 -0.14 0.96 -0.81 0.00 0.00 175.30 175.01 1ze3 s ILE 111 N 1.42 1.55 0.31 4.11 -4.36 -0.53 -4.96 121.20 118.75 1ze3 s ILE 111 Ca 0.02 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.12 1ze3 s ILE 111 Cb -0.14 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.63 1ze3 s ILE 111 CO -0.10 -0.53 1.06 -0.54 0.24 0.00 0.00 174.94 175.07 1ze3 s LYS 112 N -3.27 4.52 -0.27 0.37 1.02 -1.26 -0.10 119.74 120.75 1ze3 s LYS 112 Ca 0.17 1.67 0.02 0.00 0.02 0.00 0.00 55.97 57.84 1ze3 s LYS 112 Cb -0.02 -2.99 0.07 0.00 -0.52 0.00 0.00 37.83 34.37 1ze3 s LYS 112 CO 0.05 0.14 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.42 1ze3 s LEU 113 N -1.80 3.16 -0.26 3.17 2.96 0.49 -0.94 118.68 125.46 1ze3 s LEU 113 Ca 0.48 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.82 1ze3 s LEU 113 Cb -0.28 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1ze3 s LEU 113 CO 0.35 -0.27 0.19 -0.31 -1.32 0.00 0.00 176.35 174.99 1ze3 s TYR 114 N 1.25 3.27 -0.27 5.38 2.02 0.06 -1.05 117.35 128.01 1ze3 s TYR 114 Ca -0.02 0.19 -0.23 0.00 -0.37 0.00 0.00 57.07 56.65 1ze3 s TYR 114 Cb -0.19 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.03 1ze3 s TYR 114 CO -0.08 -0.05 0.74 -0.47 -1.57 0.00 0.00 175.55 174.12 1ze3 s TYR 115 N 1.43 3.26 -0.30 2.71 5.04 -0.34 0.31 117.35 129.45 1ze3 s TYR 115 Ca 0.08 0.89 -0.01 0.00 -2.44 0.00 0.00 57.07 55.59 1ze3 s TYR 115 Cb -0.15 -3.04 0.06 0.00 0.35 0.00 0.00 41.96 39.17 1ze3 s TYR 115 CO 0.08 -0.44 -0.01 0.50 -1.34 0.00 0.00 175.55 174.34 1ze3 s ARG 116 N 2.77 2.36 0.80 4.97 3.52 -0.06 -1.93 118.95 131.37 1ze3 s ARG 116 Ca 0.31 -1.32 -0.14 0.00 -0.13 0.00 0.00 55.73 54.45 1ze3 s ARG 116 Cb -0.15 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.15 1ze3 s ARG 116 CO 0.10 -0.64 1.03 -2.30 -0.81 0.00 0.00 175.30 172.68 1ze3 n PRO 117 N 4.58 0.21 -2.10 5.12 -0.02 -1.26 -1.31 135.00 140.22 1ze3 n PRO 117 Ca -0.12 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 1ze3 n PRO 117 Cb 0.43 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1ze3 n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ze3 s ALA 118 N -2.07 3.17 -1.46 3.55 0.00 -1.26 -4.25 121.76 119.44 1ze3 s ALA 118 Ca 0.71 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1ze3 s ALA 118 Cb -0.30 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1ze3 s ALA 118 CO 0.53 -0.65 0.75 1.63 0.00 0.00 0.00 175.76 178.03 1ze3 n LYS 119 N -2.64 -4.63 -1.88 0.00 5.02 -1.26 -4.94 118.16 107.83 1ze3 n LYS 119 Ca 0.05 0.60 -0.37 0.00 -2.02 0.00 0.00 58.31 56.56 1ze3 n LYS 119 Cb 0.55 -5.42 0.05 0.00 -0.02 0.00 0.00 35.03 30.19 1ze3 n LYS 119 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ze3 s LEU 120 N -6.92 3.66 0.10 -0.35 1.43 -1.26 -4.94 118.68 110.39 1ze3 s LEU 120 Ca 0.53 2.53 -0.32 0.00 -1.03 0.00 0.00 54.13 55.84 1ze3 s LEU 120 Cb -0.27 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.27 1ze3 s LEU 120 CO 0.65 -1.75 1.60 0.00 0.23 0.00 0.00 176.35 177.08 1ze3 h ALA 121 N 0.84 -0.81 -2.82 4.21 0.00 -1.92 -3.43 119.26 115.33 1ze3 h ALA 121 Ca -0.51 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 53.69 1ze3 h ALA 121 Cb 1.31 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 1ze3 h ALA 121 CO 0.55 -1.00 -0.22 -1.17 0.00 0.00 0.00 179.25 177.40 1ze3 s LEU 122 N -10.21 4.37 0.46 0.00 2.96 -1.26 -5.07 118.68 109.93 1ze3 s LEU 122 Ca -0.17 0.81 -0.23 0.00 -0.22 0.00 0.00 54.13 54.32 1ze3 s LEU 122 Cb 0.06 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.13 1ze3 s LEU 122 CO 0.63 0.20 1.20 -2.84 -1.32 0.00 0.00 176.35 174.22 1ze3 s PRO 123 N -0.33 3.75 0.45 0.98 0.02 -1.26 -4.92 135.00 133.68 1ze3 s PRO 123 Ca 0.22 1.86 0.14 0.00 0.02 0.00 0.00 61.00 63.24 1ze3 s PRO 123 Cb -0.15 -2.45 1.05 0.00 0.02 0.00 0.00 34.50 32.96 1ze3 s PRO 123 CO 0.10 -0.58 2.02 -1.00 -0.33 0.00 0.00 177.00 177.20 1ze3 h PRO 124 N 2.11 0.35 0.00 5.54 0.13 -1.97 -1.91 132.00 136.25 1ze3 h PRO 124 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1ze3 h PRO 124 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ze3 h PRO 124 CO 0.60 0.23 0.00 -0.40 -0.23 0.00 0.00 178.00 178.21 1ze3 n ASP 125 N -4.47 0.00 -0.21 1.44 5.75 -1.26 -2.47 116.55 115.33 1ze3 n ASP 125 Ca 0.07 -0.65 0.05 0.00 -0.01 0.00 0.00 54.79 54.26 1ze3 n ASP 125 Cb 0.30 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.38 1ze3 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ze3 n GLN 126 N -0.98 2.24 -0.02 0.11 6.02 -0.72 -4.76 117.38 119.28 1ze3 n GLN 126 Ca 0.14 -0.55 -0.13 0.00 -0.01 0.00 0.00 57.00 56.45 1ze3 n GLN 126 Cb 0.06 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.15 1ze3 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ze3 h ALA 127 N 1.77 0.06 -0.93 -1.58 0.00 -1.55 -3.33 119.26 113.70 1ze3 h ALA 127 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1ze3 h ALA 127 Cb 0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1ze3 h ALA 127 CO 0.00 -0.18 0.53 0.00 0.00 0.00 0.00 179.25 179.60 1ze3 h ALA 128 N 0.58 1.45 0.00 0.00 0.00 -1.86 -1.15 119.26 118.29 1ze3 h ALA 128 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ze3 h ALA 128 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ze3 h ALA 128 CO 0.01 -0.01 -0.05 1.49 0.00 0.00 0.00 179.25 180.69 1ze3 h GLU 129 N 0.75 0.00 0.00 0.00 4.22 -1.91 -3.00 114.58 114.64 1ze3 h GLU 129 Ca 0.51 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.95 1ze3 h GLU 129 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ze3 h GLU 129 CO -0.35 0.05 0.00 1.63 -2.18 0.00 0.00 179.01 178.16 1ze3 n LYS 130 N -3.24 0.19 -1.70 1.92 4.76 -0.43 -4.87 118.16 114.78 1ze3 n LYS 130 Ca -0.01 0.28 -0.43 0.00 -2.87 0.00 0.00 58.31 55.28 1ze3 n LYS 130 Cb 0.25 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.66 1ze3 n LYS 130 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1ze3 n LEU 131 N -2.11 3.58 -4.28 -0.35 7.94 -1.14 -4.63 117.00 116.01 1ze3 n LEU 131 Ca 0.04 1.19 -0.15 0.00 -1.11 0.00 0.00 56.01 55.98 1ze3 n LEU 131 Cb 0.32 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.68 1ze3 n LEU 131 CO 0.24 -0.39 -0.40 -0.13 -1.11 0.00 0.00 177.39 175.61 1ze3 s ARG 132 N -1.38 1.16 0.10 1.96 1.81 -0.39 -4.54 118.95 117.65 1ze3 s ARG 132 Ca 0.59 -1.52 0.07 0.00 -1.72 0.00 0.00 55.73 53.15 1ze3 s ARG 132 Cb -0.58 -0.68 -0.03 0.00 -0.45 0.00 0.00 34.95 33.21 1ze3 s ARG 132 CO 0.58 0.05 -0.18 -0.06 -0.68 0.00 0.00 175.30 175.01 1ze3 s PHE 133 N -3.31 1.58 -0.11 -0.53 0.40 -0.59 0.21 117.98 115.63 1ze3 s PHE 133 Ca 0.20 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1ze3 s PHE 133 Cb 0.03 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1ze3 s PHE 133 CO 0.03 0.16 -0.03 0.50 0.70 0.00 0.00 175.22 176.58 1ze3 s ARG 134 N -1.94 1.06 -0.01 0.44 3.52 -0.38 -0.85 118.95 120.79 1ze3 s ARG 134 Ca 0.04 -0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.36 1ze3 s ARG 134 Cb -0.10 -1.46 -0.05 0.00 -1.56 0.00 0.00 34.95 31.78 1ze3 s ARG 134 CO 0.04 -0.35 0.33 0.50 -0.81 0.00 0.00 175.30 175.01 1ze3 s ARG 135 N 1.82 3.74 0.42 5.12 3.52 -1.26 -0.81 118.95 131.50 1ze3 s ARG 135 Ca 0.04 0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 1ze3 s ARG 135 Cb -0.13 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1ze3 s ARG 135 CO -0.07 0.68 0.08 0.45 -0.81 0.00 0.00 175.30 175.63 1ze3 n SER 136 N 1.59 2.11 0.01 -2.12 2.88 0.07 -5.00 113.62 113.17 1ze3 n SER 136 Ca -0.14 -3.06 -0.13 0.00 -1.33 0.00 0.00 58.87 54.21 1ze3 n SER 136 Cb 0.53 0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 64.60 1ze3 n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ze3 h ALA 137 N 1.47 -0.85 0.00 -1.46 0.00 -1.98 -3.29 119.26 113.15 1ze3 h ALA 137 Ca -0.34 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1ze3 h ALA 137 Cb 1.16 0.93 -0.12 0.00 0.00 0.00 0.00 17.79 19.76 1ze3 h ALA 137 CO 0.55 -1.00 -0.63 0.09 0.00 0.00 0.00 179.25 178.26 1ze3 n ASN 138 N -4.99 1.45 -3.82 0.00 4.13 -1.26 -4.70 115.26 106.08 1ze3 n ASN 138 Ca -0.06 -3.14 -0.10 0.00 1.68 0.00 0.00 54.58 52.96 1ze3 n ASN 138 Cb 0.33 -0.43 -0.08 0.00 -1.54 0.00 0.00 39.78 38.06 1ze3 n ASN 138 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ze3 s SER 139 N -2.71 0.01 -0.09 6.41 1.04 -1.24 -0.74 113.70 116.38 1ze3 s SER 139 Ca 0.34 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1ze3 s SER 139 Cb 0.35 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1ze3 s SER 139 CO -0.09 -0.63 -0.12 -0.22 0.98 0.00 0.00 173.24 173.16 1ze3 s LEU 140 N -2.30 1.59 -0.18 2.42 2.96 -0.20 -0.75 118.68 122.22 1ze3 s LEU 140 Ca -0.02 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1ze3 s LEU 140 Cb 0.01 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 1ze3 s LEU 140 CO -0.06 -0.00 0.02 -0.89 -1.32 0.00 0.00 176.35 174.10 1ze3 s THR 141 N 0.98 4.39 -0.17 3.68 2.01 0.01 -1.04 115.64 125.50 1ze3 s THR 141 Ca -0.08 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 1ze3 s THR 141 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1ze3 s THR 141 CO -0.00 0.46 0.25 -0.76 -0.69 0.00 0.00 174.62 173.88 1ze3 s LEU 142 N 0.46 4.24 -0.24 4.42 1.02 0.17 -1.25 118.68 127.50 1ze3 s LEU 142 Ca 0.00 0.44 -0.05 0.00 0.02 0.00 0.00 54.13 54.55 1ze3 s LEU 142 Cb -0.13 -2.30 -0.01 0.00 0.02 0.00 0.00 46.19 43.77 1ze3 s LEU 142 CO 0.02 0.12 -0.01 -0.63 0.02 0.00 0.00 176.35 175.87 1ze3 s ILE 143 N 0.41 3.55 -0.44 -0.59 1.01 0.13 -1.58 121.20 123.69 1ze3 s ILE 143 Ca 0.14 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1ze3 s ILE 143 Cb -0.12 -2.68 0.12 0.00 0.01 0.00 0.00 42.46 39.79 1ze3 s ILE 143 CO 0.02 0.34 0.24 0.21 0.00 0.00 0.00 174.94 175.75 1ze3 s ASN 144 N 1.49 5.19 0.00 3.58 2.47 -0.12 -1.27 114.94 126.28 1ze3 s ASN 144 Ca 0.05 -2.21 0.15 0.00 0.42 0.00 0.00 52.86 51.26 1ze3 s ASN 144 Cb -0.15 -1.81 0.60 0.00 -1.45 0.00 0.00 41.25 38.44 1ze3 s ASN 144 CO -0.02 -0.49 1.43 -0.81 -3.72 0.00 0.00 177.10 173.49 1ze3 n PRO 145 N 4.33 1.49 -2.91 0.43 -0.04 -1.26 -0.54 135.00 136.50 1ze3 n PRO 145 Ca 0.00 -0.75 -0.21 0.00 -0.04 0.00 0.00 63.50 62.50 1ze3 n PRO 145 Cb 0.40 -1.28 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1ze3 n PRO 145 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ze3 s THR 146 N -1.80 3.30 -2.08 0.52 -4.23 -1.26 -4.54 115.64 105.55 1ze3 s THR 146 Ca 0.24 -0.71 0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1ze3 s THR 146 Cb 0.13 -3.20 0.41 0.00 1.34 0.00 0.00 72.50 71.18 1ze3 s THR 146 CO 0.19 -0.12 1.53 -0.81 -0.54 0.00 0.00 174.62 174.86 1ze3 n PRO 147 N -2.09 1.28 -4.79 3.99 -0.04 -1.26 -1.10 135.00 130.98 1ze3 n PRO 147 Ca 0.05 -0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 62.77 1ze3 n PRO 147 Cb 0.59 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.64 1ze3 n PRO 147 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ze3 s TYR 148 N -1.90 2.67 0.26 0.54 2.02 -1.26 -0.69 117.35 118.98 1ze3 s TYR 148 Ca 0.25 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.47 1ze3 s TYR 148 Cb 0.12 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 40.01 1ze3 s TYR 148 CO 0.19 0.22 1.41 0.71 -1.57 0.00 0.00 175.55 176.51 1ze3 s TYR 149 N -0.82 3.04 -0.21 2.71 1.51 -1.26 -4.23 117.35 118.09 1ze3 s TYR 149 Ca 0.13 1.11 -0.03 0.00 -1.01 0.00 0.00 57.07 57.27 1ze3 s TYR 149 Cb -0.11 -3.78 -0.01 0.00 -0.11 0.00 0.00 41.96 37.96 1ze3 s TYR 149 CO 0.03 -2.46 -0.06 -0.51 -1.11 0.00 0.00 175.55 171.44 1ze3 s LEU 150 N -0.60 2.84 -0.55 -1.29 1.43 -0.50 -4.97 118.68 115.04 1ze3 s LEU 150 Ca 0.57 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 1ze3 s LEU 150 Cb -0.41 -1.72 0.09 0.00 0.03 0.00 0.00 46.19 44.19 1ze3 s LEU 150 CO 0.45 -0.01 0.62 -0.89 0.23 0.00 0.00 176.35 176.75 1ze3 s THR 151 N 1.42 4.93 -0.20 5.49 2.01 -1.26 -0.44 115.64 127.59 1ze3 s THR 151 Ca 0.05 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 1ze3 s THR 151 Cb -0.14 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1ze3 s THR 151 CO -0.04 -0.96 0.31 -0.69 -0.69 0.00 0.00 174.62 172.55 1ze3 s VAL 152 N 2.41 5.28 0.26 3.82 1.01 0.50 -1.89 120.40 131.78 1ze3 s VAL 152 Ca 0.10 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1ze3 s VAL 152 Cb -0.24 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1ze3 s VAL 152 CO 0.07 0.32 0.14 0.28 0.00 0.00 0.00 175.10 175.91 1ze3 s THR 153 N 0.94 0.27 -1.53 3.92 -1.32 -0.45 -1.13 115.64 116.35 1ze3 s THR 153 Ca 0.15 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.54 1ze3 s THR 153 Cb -0.14 -2.55 0.07 0.00 -1.51 0.00 0.00 72.50 68.38 1ze3 s THR 153 CO 0.05 0.00 0.69 -0.62 -2.21 0.00 0.00 174.62 172.54 1ze3 n GLU 154 N -0.44 -3.89 -2.72 7.08 1.02 -1.26 -1.62 120.64 118.80 1ze3 n GLU 154 Ca 0.01 0.46 -0.43 0.00 -0.02 0.00 0.00 57.16 57.18 1ze3 n GLU 154 Cb 0.66 -4.99 -0.03 0.00 -0.02 0.00 0.00 31.44 27.06 1ze3 n GLU 154 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ze3 s LEU 155 N -7.12 4.11 0.07 -4.62 2.96 -1.26 -4.13 118.68 108.69 1ze3 s LEU 155 Ca 0.40 1.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.71 1ze3 s LEU 155 Cb -0.21 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1ze3 s LEU 155 CO 0.88 -0.61 -0.24 0.20 -1.32 0.00 0.00 176.35 175.27 1ze3 s ASN 156 N 1.22 2.84 -0.28 3.68 0.02 -0.34 -0.79 114.94 121.29 1ze3 s ASN 156 Ca 0.42 -0.61 -0.02 0.00 -1.02 0.00 0.00 52.86 51.63 1ze3 s ASN 156 Cb -0.15 -0.22 0.09 0.00 0.02 0.00 0.00 41.25 40.99 1ze3 s ASN 156 CO 0.08 0.18 0.10 0.00 0.02 0.00 0.00 177.10 177.47 1ze3 s ALA 157 N -0.91 1.19 0.00 0.60 0.00 -0.55 -1.98 121.76 120.12 1ze3 s ALA 157 Ca 0.10 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1ze3 s ALA 157 Cb -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1ze3 s ALA 157 CO 0.03 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1ze3 n GLY 158 N 4.99 1.34 0.87 0.00 0.00 0.04 -2.00 105.19 110.45 1ze3 n GLY 158 Ca -0.04 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1ze3 n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ze3 n THR 159 N 0.00 0.02 -2.73 2.61 -2.24 -1.26 -4.84 114.28 105.84 1ze3 n THR 159 Ca 0.00 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 60.92 1ze3 n THR 159 Cb 0.00 1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 1ze3 n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ze3 s ARG 160 N -1.98 4.81 -0.28 -0.78 1.81 -0.85 -5.04 118.95 116.64 1ze3 s ARG 160 Ca 0.30 1.50 -0.11 0.00 -1.72 0.00 0.00 55.73 55.71 1ze3 s ARG 160 Cb 0.20 -3.30 -0.05 0.00 -0.45 0.00 0.00 34.95 31.36 1ze3 s ARG 160 CO 0.31 0.42 0.18 0.08 -0.68 0.00 0.00 175.30 175.61 1ze3 s VAL 161 N -0.88 5.25 0.63 3.52 1.01 -1.26 -1.48 120.40 127.19 1ze3 s VAL 161 Ca 0.43 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1ze3 s VAL 161 Cb -0.26 -3.50 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1ze3 s VAL 161 CO 0.32 0.26 0.87 -0.76 0.00 0.00 0.00 175.10 175.79 1ze3 s LEU 162 N 1.70 3.13 0.56 3.92 1.43 0.03 -5.01 118.68 124.43 1ze3 s LEU 162 Ca 0.07 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1ze3 s LEU 162 Cb -0.16 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1ze3 s LEU 162 CO 0.10 -1.50 1.13 -1.61 0.23 0.00 0.00 176.35 174.70 1ze3 s GLU 163 N -4.90 3.29 0.85 1.70 2.02 -1.26 -4.56 118.70 115.83 1ze3 s GLU 163 Ca 0.62 1.58 -0.11 0.00 0.02 0.00 0.00 54.97 57.08 1ze3 s GLU 163 Cb -0.07 -2.00 0.10 0.00 0.10 0.00 0.00 34.13 32.26 1ze3 s GLU 163 CO 0.41 -0.90 1.09 -0.80 0.02 0.00 0.00 175.26 175.09 1ze3 s ASN 164 N -1.88 3.88 0.02 -0.19 0.02 -1.26 -4.79 114.94 110.73 1ze3 s ASN 164 Ca 0.72 1.53 -0.10 0.00 -1.02 0.00 0.00 52.86 53.98 1ze3 s ASN 164 Cb -0.23 -2.22 0.01 0.00 0.02 0.00 0.00 41.25 38.82 1ze3 s ASN 164 CO 0.29 -2.39 0.22 0.00 0.02 0.00 0.00 177.10 175.24 1ze3 s ALA 165 N -2.97 -0.47 -0.32 0.60 0.00 -0.29 -5.02 121.76 113.30 1ze3 s ALA 165 Ca 0.62 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1ze3 s ALA 165 Cb -0.17 0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.23 1ze3 s ALA 165 CO 0.56 -0.31 0.00 -1.17 0.00 0.00 0.00 175.76 174.85 1ze3 s LEU 166 N -1.75 4.34 -0.30 0.00 2.96 -1.26 -0.37 118.68 122.30 1ze3 s LEU 166 Ca -0.09 -1.87 -0.18 0.00 -0.22 0.00 0.00 54.13 51.76 1ze3 s LEU 166 Cb -0.04 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1ze3 s LEU 166 CO -0.01 -0.32 0.53 -0.69 -1.32 0.00 0.00 176.35 174.54 1ze3 s VAL 167 N 0.99 5.03 0.58 1.68 1.01 0.41 -4.89 120.40 125.21 1ze3 s VAL 167 Ca 0.04 0.67 -0.19 0.00 0.00 0.00 0.00 61.98 62.50 1ze3 s VAL 167 Cb -0.20 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1ze3 s VAL 167 CO -0.07 -0.06 1.19 -2.16 0.00 0.00 0.00 175.10 174.01 1ze3 s PRO 168 N 2.39 3.05 0.31 2.72 0.04 -1.26 -1.42 135.00 140.83 1ze3 s PRO 168 Ca 0.21 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1ze3 s PRO 168 Cb -0.15 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 1ze3 s PRO 168 CO 0.11 -1.13 1.37 -2.30 0.04 0.00 0.00 177.00 175.09 1ze3 n PRO 169 N -1.52 2.21 -3.12 0.56 -0.02 -1.26 -1.42 135.00 130.42 1ze3 n PRO 169 Ca 0.13 0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 62.19 1ze3 n PRO 169 Cb 0.50 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1ze3 n PRO 169 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1ze3 n MET 170 N 1.18 -3.14 -0.91 -0.52 2.81 0.29 -4.89 117.12 111.94 1ze3 n MET 170 Ca 0.07 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 1ze3 n MET 170 Cb 0.35 -5.17 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 1ze3 n MET 170 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ze3 n GLY 171 N -1.07 4.79 3.18 3.03 0.00 -0.51 -4.95 105.19 109.66 1ze3 n GLY 171 Ca -0.05 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 1ze3 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ze3 s GLU 172 N -0.37 0.83 0.01 1.61 2.02 -1.26 -0.95 118.70 120.59 1ze3 s GLU 172 Ca 0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 54.97 53.81 1ze3 s GLU 172 Cb 0.00 0.29 -0.01 0.00 0.10 0.00 0.00 34.13 34.52 1ze3 s GLU 172 CO 0.00 -0.24 0.09 -1.12 0.02 0.00 0.00 175.26 174.01 1ze3 s SER 173 N -2.92 0.09 -0.01 -0.19 0.01 -0.61 -4.67 113.70 105.40 1ze3 s SER 173 Ca 0.10 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.11 1ze3 s SER 173 Cb 0.06 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.45 1ze3 s SER 173 CO -0.08 -0.36 -0.17 -0.89 0.41 0.00 0.00 173.24 172.16 1ze3 s THR 174 N -1.45 1.33 0.17 1.44 2.01 -1.26 0.46 115.64 118.34 1ze3 s THR 174 Ca -0.15 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1ze3 s THR 174 Cb -0.08 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1ze3 s THR 174 CO 0.01 0.37 -0.16 0.68 -0.69 0.00 0.00 174.62 174.83 1ze3 s VAL 175 N -0.40 1.65 0.51 3.82 -7.23 -0.21 -4.97 120.40 113.57 1ze3 s VAL 175 Ca 0.06 -1.99 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 1ze3 s VAL 175 Cb -0.07 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.97 1ze3 s VAL 175 CO -0.01 -0.46 1.15 -0.54 -0.31 0.00 0.00 175.10 174.94 1ze3 s LYS 176 N -3.11 3.50 -0.14 4.82 1.02 -1.26 -1.03 119.74 123.54 1ze3 s LYS 176 Ca 0.17 1.69 -0.02 0.00 0.02 0.00 0.00 55.97 57.83 1ze3 s LYS 176 Cb -0.03 -2.17 0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1ze3 s LYS 176 CO 0.06 -0.74 -0.00 -1.17 -0.92 0.00 0.00 175.35 172.57 1ze3 s LEU 177 N -3.49 1.07 0.40 3.17 2.96 0.08 -4.68 118.68 118.19 1ze3 s LEU 177 Ca 0.69 -0.51 -0.26 0.00 -0.22 0.00 0.00 54.13 53.83 1ze3 s LEU 177 Cb -0.26 -0.62 -0.10 0.00 0.50 0.00 0.00 46.19 45.70 1ze3 s LEU 177 CO 0.30 -0.23 1.29 -2.65 -1.32 0.00 0.00 176.35 173.74 1ze3 n PRO 178 N 5.04 2.03 0.22 0.98 -0.02 -1.26 -4.22 135.00 137.77 1ze3 n PRO 178 Ca -0.09 0.72 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 1ze3 n PRO 178 Cb 0.48 -2.39 0.85 0.00 -0.02 0.00 0.00 33.50 32.42 1ze3 n PRO 178 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ze3 h SER 179 N 2.25 0.00 0.15 2.55 4.64 -1.93 -1.34 113.55 119.87 1ze3 h SER 179 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ze3 h SER 179 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ze3 h SER 179 CO 0.61 0.00 -0.44 -0.90 -0.87 0.00 0.00 176.83 175.22 1ze3 n ASP 180 N -3.75 1.32 -4.61 4.97 5.75 -1.26 -4.98 116.55 114.00 1ze3 n ASP 180 Ca 0.01 -1.06 -0.43 0.00 -0.01 0.00 0.00 54.79 53.30 1ze3 n ASP 180 Cb 0.29 0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.74 1ze3 n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ze3 n ALA 181 N -0.61 0.07 -1.27 2.12 0.00 -0.51 -4.95 120.51 115.36 1ze3 n ALA 181 Ca 0.10 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1ze3 n ALA 181 Cb 0.39 -2.06 0.13 0.00 0.00 0.00 0.00 19.45 17.91 1ze3 n ALA 181 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ze3 s GLY 182 N -0.58 1.61 0.26 0.00 0.00 -1.04 -4.85 107.32 102.73 1ze3 s GLY 182 Ca 0.59 -0.13 0.24 0.00 0.00 0.00 0.00 44.72 45.42 1ze3 s GLY 182 CO 0.59 0.36 1.38 1.48 0.00 0.00 0.00 173.10 176.92 1ze3 h SER 183 N -1.51 0.00 -3.39 1.64 4.64 -1.92 -3.19 113.55 109.82 1ze3 h SER 183 Ca -0.50 -0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.21 1ze3 h SER 183 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1ze3 h SER 183 CO 0.56 0.02 0.94 0.54 -0.87 0.00 0.00 176.83 178.02 1ze3 s ASN 184 N -5.27 6.69 -0.08 4.97 4.22 -1.26 -4.85 114.94 119.37 1ze3 s ASN 184 Ca 0.05 0.88 -0.03 0.00 -2.14 0.00 0.00 52.86 51.62 1ze3 s ASN 184 Cb 0.09 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 40.04 1ze3 s ASN 184 CO 0.71 -1.13 0.07 -0.63 -2.04 0.00 0.00 177.10 174.09 1ze3 s ILE 185 N 4.34 4.86 0.04 0.54 1.01 -1.26 -0.78 121.20 129.96 1ze3 s ILE 185 Ca 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 1ze3 s ILE 185 Cb -0.12 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1ze3 s ILE 185 CO 0.25 0.54 -0.02 0.42 0.00 0.00 0.00 174.94 176.13 1ze3 s THR 186 N -1.02 0.17 0.21 2.92 -4.23 -0.84 -0.00 115.64 112.85 1ze3 s THR 186 Ca 0.17 -1.43 -0.23 0.00 -1.18 0.00 0.00 61.69 59.02 1ze3 s THR 186 Cb -0.12 -1.02 0.04 0.00 1.34 0.00 0.00 72.50 72.75 1ze3 s THR 186 CO 0.06 -0.79 0.74 -0.72 -0.54 0.00 0.00 174.62 173.37 1ze3 s TYR 187 N -2.94 -0.27 0.22 3.99 1.13 -0.55 -1.20 117.35 117.73 1ze3 s TYR 187 Ca -0.02 -0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.56 1ze3 s TYR 187 Cb 0.01 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.47 1ze3 s TYR 187 CO -0.06 -1.04 0.09 1.03 -2.51 0.00 0.00 175.55 173.06 1ze3 s ARG 188 N -3.73 1.26 0.19 -3.49 0.52 -0.64 -0.37 118.95 112.69 1ze3 s ARG 188 Ca 0.08 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 1ze3 s ARG 188 Cb -0.04 -0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 1ze3 s ARG 188 CO 0.00 -0.31 0.07 0.95 0.02 0.00 0.00 175.30 176.04 1ze3 s THR 189 N -3.91 0.34 -0.27 0.02 -4.23 -1.26 -1.34 115.64 104.99 1ze3 s THR 189 Ca 0.35 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 1ze3 s THR 189 Cb 0.07 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1ze3 s THR 189 CO 0.11 -0.25 0.08 -0.63 -0.54 0.00 0.00 174.62 173.39 1ze3 s ILE 190 N -3.90 4.17 0.35 2.99 -1.09 -0.79 -0.64 121.20 122.29 1ze3 s ILE 190 Ca 0.31 -0.40 -0.05 0.00 -2.23 0.00 0.00 60.65 58.28 1ze3 s ILE 190 Cb 0.07 -3.04 0.08 0.00 -1.58 0.00 0.00 42.46 37.99 1ze3 s ILE 190 CO 0.08 0.22 0.48 -0.46 -1.23 0.00 0.00 174.94 174.03 1ze3 n ASN 191 N 4.91 0.19 0.07 3.58 0.23 -0.21 -4.54 115.26 119.48 1ze3 n ASN 191 Ca -0.15 -1.27 0.21 0.00 -0.53 0.00 0.00 54.58 52.83 1ze3 n ASN 191 Cb 0.50 -0.35 0.74 0.00 -2.08 0.00 0.00 39.78 38.59 1ze3 n ASN 191 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ze3 h ASP 192 N -0.55 0.00 -0.66 0.53 3.32 -1.97 -0.13 116.42 116.96 1ze3 h ASP 192 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1ze3 h ASP 192 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1ze3 h ASP 192 CO 0.13 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.43 1ze3 n TYR 193 N -3.90 1.55 -1.33 4.55 4.01 -1.26 -4.92 117.16 115.86 1ze3 n TYR 193 Ca 0.08 -0.61 -0.11 0.00 -0.16 0.00 0.00 57.90 57.09 1ze3 n TYR 193 Cb 0.61 -0.26 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 1ze3 n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ze3 n GLY 194 N 1.15 1.25 3.90 2.72 0.00 -0.06 -5.00 105.19 109.14 1ze3 n GLY 194 Ca 0.26 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1ze3 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ze3 s ALA 195 N -2.39 3.94 -0.16 4.61 0.00 -1.26 -4.81 121.76 121.69 1ze3 s ALA 195 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1ze3 s ALA 195 Cb 0.00 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 1ze3 s ALA 195 CO 0.00 0.72 1.08 -1.17 0.00 0.00 0.00 175.76 176.39 1ze3 s LEU 196 N -1.82 4.18 0.49 0.00 2.96 -1.26 -1.05 118.68 122.18 1ze3 s LEU 196 Ca 0.26 1.52 -0.15 0.00 -0.22 0.00 0.00 54.13 55.54 1ze3 s LEU 196 Cb -0.13 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1ze3 s LEU 196 CO 0.17 -0.60 0.93 0.42 -1.32 0.00 0.00 176.35 175.95 1ze3 s THR 197 N 2.74 4.61 0.62 3.68 -4.23 0.18 -4.96 115.64 118.29 1ze3 s THR 197 Ca 0.48 1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 61.84 1ze3 s THR 197 Cb -0.18 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 1ze3 s THR 197 CO 0.13 -0.67 1.19 -2.65 -0.54 0.00 0.00 174.62 172.08 1ze3 n PRO 198 N -1.57 1.09 -1.62 3.99 -0.02 -1.26 -4.31 135.00 131.30 1ze3 n PRO 198 Ca 0.05 0.42 -0.46 0.00 -2.02 0.00 0.00 63.50 61.50 1ze3 n PRO 198 Cb 0.54 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1ze3 n PRO 198 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ze3 n LYS 199 N -1.53 1.56 -4.55 -0.52 4.81 -1.26 -4.77 118.16 111.90 1ze3 n LYS 199 Ca 0.15 0.55 -0.27 0.00 -0.87 0.00 0.00 58.31 57.87 1ze3 n LYS 199 Cb 0.47 -2.07 -0.14 0.00 0.02 0.00 0.00 35.03 33.32 1ze3 n LYS 199 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1ze3 s MET 200 N -0.86 1.42 -0.00 1.64 -1.94 0.50 -4.95 119.30 115.10 1ze3 s MET 200 Ca 0.66 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 53.21 1ze3 s MET 200 Cb -0.72 -1.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.39 1ze3 s MET 200 CO 0.55 0.42 0.92 0.99 -0.01 0.00 0.00 175.02 177.88 1ze3 s THR 201 N -0.96 4.88 0.16 2.05 2.01 -1.26 -1.48 115.64 121.03 1ze3 s THR 201 Ca 0.10 1.93 -0.31 0.00 0.31 0.00 0.00 61.69 63.72 1ze3 s THR 201 Cb -0.10 -4.26 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1ze3 s THR 201 CO 0.04 0.20 1.35 -0.83 -0.69 0.00 0.00 174.62 174.68 1ze3 s GLY 202 N 0.86 2.20 -0.16 4.40 0.00 0.99 -4.94 107.32 110.68 1ze3 s GLY 202 Ca 0.48 1.12 -0.03 0.00 0.00 0.00 0.00 44.72 46.29 1ze3 s GLY 202 CO 0.26 2.22 -0.05 0.14 0.00 0.00 0.00 173.10 175.67 1ze3 s VAL 203 N 0.63 3.73 0.43 1.40 1.01 -1.26 -4.71 120.40 121.62 1ze3 s VAL 203 Ca 0.61 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1ze3 s VAL 203 Cb -0.37 -2.63 -0.10 0.00 0.00 0.00 0.00 36.38 33.28 1ze3 s VAL 203 CO 0.34 0.49 1.00 -0.04 0.00 0.00 0.00 175.10 176.89 1ze3 s MET 204 N 0.51 4.11 0.00 2.72 -1.94 -1.26 -1.55 119.30 121.88 1ze3 s MET 204 Ca -0.04 1.31 0.15 0.00 -1.71 0.00 0.00 55.69 55.41 1ze3 s MET 204 Cb -0.15 -2.30 0.92 0.00 2.01 0.00 0.00 34.83 35.31 1ze3 s MET 204 CO 0.03 -0.16 1.33 -0.85 -0.01 0.00 0.00 175.02 175.36