#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r44 n GLU 2 N 0.00 0.65 -2.50 2.12 4.07 -1.26 -4.93 120.64 118.79 1r44 n GLU 2 Ca 0.00 0.26 -0.41 0.00 -0.06 0.00 0.00 57.16 56.95 1r44 n GLU 2 Cb 0.00 -1.97 -0.04 0.00 -0.06 0.00 0.00 31.44 29.37 1r44 n GLU 2 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1r44 s ILE 3 N -1.65 4.03 0.00 6.31 1.10 -1.26 -2.68 121.20 127.04 1r44 s ILE 3 Ca 0.73 1.60 0.00 0.00 -0.51 0.00 0.00 60.65 62.47 1r44 s ILE 3 Cb -0.41 -4.03 0.00 0.00 0.15 0.00 0.00 42.46 38.17 1r44 s ILE 3 CO 0.51 0.21 0.00 0.61 -2.11 0.00 0.00 174.94 174.15 1r44 n GLY 4 N 2.54 1.14 3.68 1.50 0.00 -1.26 -5.04 105.19 107.75 1r44 n GLY 4 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1r44 n GLY 4 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r44 s PHE 5 N -2.58 2.77 0.11 1.61 0.40 -1.09 -1.39 117.98 117.81 1r44 s PHE 5 Ca 0.00 -0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 55.99 1r44 s PHE 5 Cb 0.00 -1.24 0.02 0.00 0.51 0.00 0.00 43.02 42.32 1r44 s PHE 5 CO 0.00 0.60 0.34 -0.08 0.70 0.00 0.00 175.22 176.78 1r44 s THR 6 N -2.26 0.09 -0.08 0.64 -1.32 0.15 -4.75 115.64 108.11 1r44 s THR 6 Ca 0.31 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.75 1r44 s THR 6 Cb -0.07 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1r44 s THR 6 CO 0.21 -0.41 1.33 -0.36 -2.21 0.00 0.00 174.62 173.18 1r44 s PHE 7 N -3.79 2.82 0.53 9.09 0.08 -1.26 -0.38 117.98 125.06 1r44 s PHE 7 Ca 0.03 0.90 0.22 0.00 0.12 0.00 0.00 56.93 58.21 1r44 s PHE 7 Cb 0.03 -3.58 1.47 0.00 -0.57 0.00 0.00 43.02 40.36 1r44 s PHE 7 CO -0.12 -2.08 2.16 -0.07 -0.10 0.00 0.00 175.22 175.01 1r44 h LEU 8 N 9.05 0.00 -1.02 -0.37 3.38 -0.72 -1.56 115.31 124.06 1r44 h LEU 8 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1r44 h LEU 8 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1r44 h LEU 8 CO 0.93 0.04 0.00 -2.24 0.09 0.00 0.00 178.44 177.26 1r44 h ASP 9 N 0.00 0.00 0.81 -0.43 2.03 -1.77 0.26 116.42 117.31 1r44 h ASP 9 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1r44 h ASP 9 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1r44 h ASP 9 CO 0.01 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.60 1r44 n GLU 10 N -3.08 0.01 -0.05 4.15 1.02 -0.59 -3.75 120.64 118.35 1r44 n GLU 10 Ca 0.02 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1r44 n GLU 10 Cb 0.37 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1r44 n GLU 10 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1r44 n ILE 11 N -1.50 0.59 -3.24 -3.67 2.08 -0.89 -4.81 119.36 107.92 1r44 n ILE 11 Ca 0.06 -0.18 -0.46 0.00 0.56 0.00 0.00 62.75 62.73 1r44 n ILE 11 Cb 0.28 -1.35 -0.01 0.00 -0.75 0.00 0.00 39.64 37.80 1r44 n ILE 11 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1r44 s VAL 12 N -2.20 5.54 0.07 1.39 1.01 0.85 -4.98 120.40 122.09 1r44 s VAL 12 Ca -0.15 -2.62 -0.26 0.00 0.00 0.00 0.00 61.98 58.95 1r44 s VAL 12 Cb 0.05 -4.59 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 1r44 s VAL 12 CO 0.21 -1.20 1.66 0.45 0.00 0.00 0.00 175.10 176.22 1r44 h HIS 13 N 7.57 -0.28 -0.14 5.22 3.86 -1.83 -3.13 115.15 126.42 1r44 h HIS 13 Ca 0.15 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1r44 h HIS 13 Cb 0.98 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1r44 h HIS 13 CO 0.99 -0.14 0.00 0.41 0.86 0.00 0.00 177.93 180.04 1r44 n GLY 14 N -1.11 0.54 3.75 2.45 0.00 -1.26 -4.93 105.19 104.64 1r44 n GLY 14 Ca -0.09 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1r44 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r44 s VAL 15 N -1.63 3.07 0.25 1.61 0.11 -1.18 -4.95 120.40 117.68 1r44 s VAL 15 Ca 0.11 0.99 -0.21 0.00 -2.93 0.00 0.00 61.98 59.94 1r44 s VAL 15 Cb 0.07 -3.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.20 1r44 s VAL 15 CO 0.06 0.20 0.79 -0.60 -3.33 0.00 0.00 175.10 172.22 1r44 s ARG 16 N -1.06 4.34 0.12 1.54 6.06 -0.90 -5.00 118.95 124.06 1r44 s ARG 16 Ca 0.51 1.00 -0.13 0.00 -2.50 0.00 0.00 55.73 54.61 1r44 s ARG 16 Cb -0.37 -2.84 0.02 0.00 0.06 0.00 0.00 34.95 31.82 1r44 s ARG 16 CO 0.45 0.35 0.33 1.67 -2.50 0.00 0.00 175.30 175.60 1r44 s TRP 17 N -1.56 -0.03 -0.33 5.12 -2.14 -1.26 -0.63 118.94 118.10 1r44 s TRP 17 Ca 0.45 -0.33 0.05 0.00 2.66 0.00 0.00 56.10 58.94 1r44 s TRP 17 Cb -0.17 0.14 0.18 0.00 -3.10 0.00 0.00 33.47 30.52 1r44 s TRP 17 CO 0.22 -0.67 0.53 0.34 -2.66 0.00 0.00 176.95 174.71 1r44 s ASP 18 N -2.84 -0.83 -1.05 -2.66 2.15 -0.13 -4.90 116.67 106.41 1r44 s ASP 18 Ca 0.05 -0.38 -0.23 0.00 0.43 0.00 0.00 52.55 52.42 1r44 s ASP 18 Cb 0.03 1.64 -0.00 0.00 -0.30 0.00 0.00 42.92 44.29 1r44 s ASP 18 CO -0.10 -0.28 1.74 0.00 -0.17 0.00 0.00 175.17 176.36 1r44 s ALA 19 N 2.37 2.30 0.37 3.66 0.00 -1.26 -4.26 121.76 124.93 1r44 s ALA 19 Ca 0.12 -2.08 0.16 0.00 0.00 0.00 0.00 51.96 50.17 1r44 s ALA 19 Cb -0.10 -4.58 1.06 0.00 0.00 0.00 0.00 23.12 19.51 1r44 s ALA 19 CO -0.20 -4.24 1.74 0.87 0.00 0.00 0.00 175.76 173.93 1r44 h LYS 20 N 9.97 0.41 -0.01 0.00 1.79 -1.87 0.22 116.57 127.09 1r44 h LYS 20 Ca 0.20 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1r44 h LYS 20 Cb 0.98 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1r44 h LYS 20 CO 1.33 0.27 -0.15 0.66 -1.08 0.00 0.00 179.45 180.48 1r44 n TYR 21 N -4.74 0.00 -0.40 -1.35 4.01 -1.26 -2.81 117.16 110.61 1r44 n TYR 21 Ca 0.27 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.11 1r44 n TYR 21 Cb 0.89 -0.16 0.33 0.00 -0.31 0.00 0.00 39.34 40.09 1r44 n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r44 n ALA 22 N -0.83 2.90 -2.32 -0.72 0.00 0.77 -0.28 120.51 120.02 1r44 n ALA 22 Ca 0.14 -1.41 -0.16 0.00 0.00 0.00 0.00 53.44 52.00 1r44 n ALA 22 Cb 0.30 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 1r44 n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1r44 s THR 23 N -1.64 0.94 -1.32 0.00 2.01 -1.12 -4.78 115.64 109.72 1r44 s THR 23 Ca 0.48 -2.02 0.28 0.00 0.31 0.00 0.00 61.69 60.73 1r44 s THR 23 Cb 0.29 -2.34 0.27 0.00 0.01 0.00 0.00 72.50 70.74 1r44 s THR 23 CO 0.25 -0.32 1.75 0.79 -0.69 0.00 0.00 174.62 176.40 1r44 n TRP 24 N -0.40 0.00 -2.18 4.92 8.01 -1.26 -2.19 117.44 124.34 1r44 n TRP 24 Ca -0.05 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.73 1r44 n TRP 24 Cb 0.64 -0.28 0.00 0.00 -2.01 0.00 0.00 31.31 29.66 1r44 n TRP 24 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1r44 n ASP 25 N -1.22 7.21 -3.60 -0.99 2.03 -1.26 -4.00 116.55 114.72 1r44 n ASP 25 Ca 0.10 -3.20 -0.18 0.00 0.52 0.00 0.00 54.79 52.03 1r44 n ASP 25 Cb 0.31 -1.37 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 1r44 n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1r44 s ASN 26 N 0.22 1.43 0.24 1.67 4.22 -1.26 -4.86 114.94 116.60 1r44 s ASN 26 Ca 0.48 -1.67 0.21 0.00 -2.14 0.00 0.00 52.86 49.74 1r44 s ASN 26 Cb 0.16 0.51 0.96 0.00 1.28 0.00 0.00 41.25 44.15 1r44 s ASN 26 CO -0.06 -1.00 1.65 2.22 -2.04 0.00 0.00 177.10 177.86 1r44 n PHE 27 N -0.57 0.69 0.59 1.54 1.16 -1.26 -1.48 117.46 118.13 1r44 n PHE 27 Ca 0.05 0.29 0.12 0.00 -1.87 0.00 0.00 57.45 56.05 1r44 n PHE 27 Cb 0.63 -0.97 0.21 0.00 -1.61 0.00 0.00 39.48 37.74 1r44 n PHE 27 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1r44 n THR 28 N -2.15 0.38 -0.10 1.97 -2.24 -1.26 -4.72 114.28 106.16 1r44 n THR 28 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1r44 n THR 28 Cb 0.17 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1r44 n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r44 n GLY 29 N 1.34 2.77 3.47 3.38 0.00 -0.55 -4.99 105.19 110.61 1r44 n GLY 29 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1r44 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r44 s LYS 30 N -0.01 1.72 0.42 1.61 1.02 -1.26 -4.68 119.74 118.56 1r44 s LYS 30 Ca 0.00 -1.98 -0.26 0.00 0.02 0.00 0.00 55.97 53.75 1r44 s LYS 30 Cb 0.00 -0.84 -0.10 0.00 -0.52 0.00 0.00 37.83 36.38 1r44 s LYS 30 CO 0.00 -0.25 1.41 -2.30 -0.92 0.00 0.00 175.35 173.29 1r44 n PRO 31 N -0.74 2.30 -3.19 -1.68 -0.02 -0.93 -4.59 135.00 126.15 1r44 n PRO 31 Ca -0.03 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 1r44 n PRO 31 Cb 0.66 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1r44 n PRO 31 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1r44 s VAL 32 N -1.17 4.65 0.22 -1.45 1.01 0.61 -4.98 120.40 119.30 1r44 s VAL 32 Ca 0.58 1.24 -0.32 0.00 0.00 0.00 0.00 61.98 63.48 1r44 s VAL 32 Cb -0.48 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 1r44 s VAL 32 CO 0.60 0.38 1.64 -0.67 0.00 0.00 0.00 175.10 177.05 1r44 n ASP 33 N 1.21 3.70 0.00 3.32 2.03 -1.26 -2.05 116.55 123.50 1r44 n ASP 33 Ca -0.06 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1r44 n ASP 33 Cb 0.51 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1r44 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r44 n GLY 34 N 3.28 1.20 3.26 0.27 0.00 -1.26 -2.70 105.19 109.24 1r44 n GLY 34 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1r44 n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r44 s TYR 35 N -2.30 3.47 -2.02 1.61 2.02 -0.87 0.75 117.35 120.01 1r44 s TYR 35 Ca 0.00 -1.82 0.20 0.00 -0.37 0.00 0.00 57.07 55.08 1r44 s TYR 35 Cb 0.00 -3.65 0.03 0.00 -0.40 0.00 0.00 41.96 37.94 1r44 s TYR 35 CO 0.00 -0.98 1.04 0.39 -1.57 0.00 0.00 175.55 174.43 1r44 n GLU 36 N 4.59 1.53 -4.14 -0.62 1.02 0.36 -4.67 120.64 118.71 1r44 n GLU 36 Ca -0.02 -1.13 -0.16 0.00 -0.02 0.00 0.00 57.16 55.83 1r44 n GLU 36 Cb 0.42 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.29 1r44 n GLU 36 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r44 s VAL 37 N -2.14 0.40 -1.31 2.62 1.01 -0.91 -4.93 120.40 115.14 1r44 s VAL 37 Ca 0.18 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1r44 s VAL 37 Cb 0.16 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 36.34 1r44 s VAL 37 CO 0.45 0.12 1.99 -3.20 0.00 0.00 0.00 175.10 174.46 1r44 n ASN 38 N 3.05 5.34 -4.07 3.32 2.85 -1.26 -4.73 115.26 119.77 1r44 n ASN 38 Ca -0.14 -3.08 -0.08 0.00 -0.11 0.00 0.00 54.58 51.17 1r44 n ASN 38 Cb 0.58 -1.48 -0.10 0.00 1.24 0.00 0.00 39.78 40.02 1r44 n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1r44 s ARG 39 N 0.53 0.73 -0.24 1.20 0.52 -1.26 -4.70 118.95 115.74 1r44 s ARG 39 Ca 0.42 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.32 1r44 s ARG 39 Cb 0.11 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.79 1r44 s ARG 39 CO -0.02 -0.18 0.08 0.42 0.02 0.00 0.00 175.30 175.63 1r44 s ILE 40 N -3.94 4.53 0.11 1.52 -1.09 -1.26 -4.80 121.20 116.26 1r44 s ILE 40 Ca 0.11 -0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1r44 s ILE 40 Cb 0.07 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1r44 s ILE 40 CO -0.07 0.36 0.06 -0.69 -1.23 0.00 0.00 174.94 173.36 1r44 s VAL 41 N 1.33 4.29 0.11 2.92 1.01 -1.26 0.02 120.40 128.82 1r44 s VAL 41 Ca 0.05 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 1r44 s VAL 41 Cb -0.15 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1r44 s VAL 41 CO 0.04 0.06 0.96 -0.83 0.00 0.00 0.00 175.10 175.33 1r44 s GLY 42 N -2.55 -0.30 0.50 4.51 0.00 0.49 0.65 107.32 110.63 1r44 s GLY 42 Ca 0.28 0.36 -0.23 0.00 0.00 0.00 0.00 44.72 45.14 1r44 s GLY 42 CO 0.21 0.09 1.33 -1.59 0.00 0.00 0.00 173.10 173.14 1r44 s THR 43 N -3.20 2.30 0.45 0.90 2.01 0.10 0.35 115.64 118.56 1r44 s THR 43 Ca 0.11 0.24 0.14 0.00 0.31 0.00 0.00 61.69 62.49 1r44 s THR 43 Cb -0.01 -3.13 0.32 0.00 0.01 0.00 0.00 72.50 69.69 1r44 s THR 43 CO -0.01 0.01 2.02 1.88 -0.69 0.00 0.00 174.62 177.83 1r44 h TYR 44 N 1.83 0.35 -0.31 4.92 0.05 -1.56 -0.78 116.97 121.47 1r44 h TYR 44 Ca -0.50 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.14 1r44 h TYR 44 Cb 1.28 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 1r44 h TYR 44 CO 0.49 0.18 -0.40 0.93 -1.05 0.00 0.00 178.16 178.30 1r44 h GLU 45 N 0.34 0.74 -0.17 4.88 3.07 -1.91 0.18 114.58 121.71 1r44 h GLU 45 Ca 0.21 -0.39 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1r44 h GLU 45 Cb 0.40 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1r44 h GLU 45 CO -0.05 1.01 0.10 1.25 -1.40 0.00 0.00 179.01 179.92 1r44 h LEU 46 N 0.61 0.20 -0.34 1.33 5.85 -1.57 -1.53 115.31 119.86 1r44 h LEU 46 Ca 0.05 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1r44 h LEU 46 Cb 0.95 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1r44 h LEU 46 CO 0.09 0.20 0.17 0.00 -0.34 0.00 0.00 178.44 178.56 1r44 h ALA 47 N 1.01 0.41 0.01 1.25 0.00 -1.01 0.24 119.26 121.18 1r44 h ALA 47 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1r44 h ALA 47 Cb 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1r44 h ALA 47 CO -0.01 -0.21 -0.35 0.93 0.00 0.00 0.00 179.25 179.61 1r44 h GLU 48 N 0.35 -0.50 -0.15 0.00 5.08 -0.51 -0.42 114.58 118.43 1r44 h GLU 48 Ca 0.14 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1r44 h GLU 48 Cb 0.05 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1r44 h GLU 48 CO -0.10 -0.33 -0.26 0.77 -1.00 0.00 0.00 179.01 178.09 1r44 h SER 49 N -0.52 0.27 0.24 1.42 0.02 -1.09 -2.32 113.55 111.58 1r44 h SER 49 Ca 0.05 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1r44 h SER 49 Cb 0.59 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1r44 h SER 49 CO -0.27 0.54 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.59 1r44 h LEU 50 N 0.25 0.09 -0.63 5.07 3.38 -0.24 -0.61 115.31 122.60 1r44 h LEU 50 Ca 0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1r44 h LEU 50 Cb 0.60 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1r44 h LEU 50 CO 0.04 0.38 -0.17 0.25 0.09 0.00 0.00 178.44 179.04 1r44 h LEU 51 N 0.08 0.91 -0.55 1.67 5.85 -0.65 0.10 115.31 122.72 1r44 h LEU 51 Ca 0.01 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1r44 h LEU 51 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1r44 h LEU 51 CO 0.04 1.06 -0.16 0.11 -0.34 0.00 0.00 178.44 179.16 1r44 h LYS 52 N 0.79 1.00 -0.27 1.25 1.57 -1.02 0.15 116.57 120.04 1r44 h LYS 52 Ca 0.12 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1r44 h LYS 52 Cb 0.70 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1r44 h LYS 52 CO 0.05 1.07 0.06 0.00 -0.57 0.00 0.00 179.45 180.06 1r44 h ALA 53 N 0.93 1.59 -0.10 3.86 0.00 -0.84 -2.45 119.26 122.25 1r44 h ALA 53 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1r44 h ALA 53 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1r44 h ALA 53 CO 0.06 0.31 -0.29 -0.22 0.00 0.00 0.00 179.25 179.11 1r44 h LYS 54 N 0.39 0.38 -3.19 0.00 3.64 -0.35 0.61 116.57 118.04 1r44 h LYS 54 Ca 0.09 -0.27 -0.75 0.00 -1.27 0.00 0.00 60.65 58.45 1r44 h LYS 54 Cb 0.17 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 31.90 1r44 h LYS 54 CO -0.00 0.89 2.18 0.39 -2.27 0.00 0.00 179.45 180.63 1r44 n GLU 55 N -4.43 3.95 0.06 1.90 4.71 0.48 -1.37 120.64 125.94 1r44 n GLU 55 Ca -0.07 -3.49 0.00 0.00 -0.01 0.00 0.00 57.16 53.59 1r44 n GLU 55 Cb 0.47 -2.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.08 1r44 n GLU 55 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1r44 n LEU 56 N 3.13 -1.09 -0.27 -4.62 0.00 -1.09 -4.75 117.00 108.31 1r44 n LEU 56 Ca 0.48 0.55 0.09 0.00 0.00 0.00 0.00 56.01 57.12 1r44 n LEU 56 Cb 0.32 1.33 0.33 0.00 0.00 0.00 0.00 43.42 45.41 1r44 n LEU 56 CO 0.78 0.07 1.23 0.00 0.00 0.00 0.00 177.39 179.46 1r44 h ALA 57 N 0.00 1.71 -0.47 1.96 0.00 0.37 -2.48 119.26 120.36 1r44 h ALA 57 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r44 h ALA 57 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1r44 h ALA 57 CO 0.00 0.09 0.16 0.00 0.00 0.00 0.00 179.25 179.50 1r44 h ALA 58 N 1.58 0.61 0.00 0.00 0.00 -1.02 0.46 119.26 120.90 1r44 h ALA 58 Ca 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1r44 h ALA 58 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1r44 h ALA 58 CO -0.18 0.25 -0.03 1.79 0.00 0.00 0.00 179.25 181.08 1r44 h THR 59 N 0.62 0.46 -0.08 0.00 1.35 -1.71 -1.86 112.91 111.69 1r44 h THR 59 Ca 0.15 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1r44 h THR 59 Cb 0.24 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1r44 h THR 59 CO -0.01 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1r44 n GLN 60 N -3.69 1.89 -0.49 4.72 6.02 -0.77 -4.95 117.38 120.12 1r44 n GLN 60 Ca -0.03 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 1r44 n GLN 60 Cb 0.12 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1r44 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r44 n GLY 61 N 1.23 0.72 3.44 1.08 0.00 -0.70 -5.06 105.19 105.89 1r44 n GLY 61 Ca 0.17 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1r44 n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r44 s TYR 62 N -2.00 2.25 0.23 1.61 2.02 0.08 -0.59 117.35 120.95 1r44 s TYR 62 Ca 0.00 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.43 1r44 s TYR 62 Cb 0.00 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1r44 s TYR 62 CO 0.00 0.58 -0.17 0.20 -1.57 0.00 0.00 175.55 174.60 1r44 s GLY 63 N -3.05 1.59 -0.11 0.71 0.00 0.49 -2.72 107.32 104.23 1r44 s GLY 63 Ca 0.25 -1.74 -0.06 0.00 0.00 0.00 0.00 44.72 43.17 1r44 s GLY 63 CO 0.12 -1.83 0.13 1.08 0.00 0.00 0.00 173.10 172.60 1r44 s LEU 64 N -3.37 4.34 -0.21 0.66 1.43 -1.26 -0.68 118.68 119.59 1r44 s LEU 64 Ca 0.25 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1r44 s LEU 64 Cb -0.02 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1r44 s LEU 64 CO 0.10 0.40 -0.16 -0.22 0.23 0.00 0.00 176.35 176.69 1r44 s LEU 65 N -1.09 2.65 -0.06 1.79 2.96 0.60 -2.11 118.68 123.43 1r44 s LEU 65 Ca 0.16 -0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 1r44 s LEU 65 Cb -0.12 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1r44 s LEU 65 CO 0.05 -0.07 0.28 -0.76 -1.32 0.00 0.00 176.35 174.52 1r44 s LEU 66 N 1.22 4.42 -0.04 -0.68 1.43 0.19 -1.20 118.68 124.03 1r44 s LEU 66 Ca -0.00 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1r44 s LEU 66 Cb -0.16 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1r44 s LEU 66 CO -0.10 0.35 0.00 0.79 0.23 0.00 0.00 176.35 177.62 1r44 n TRP 67 N 2.01 0.00 -3.64 0.29 8.01 0.12 -0.96 117.44 123.27 1r44 n TRP 67 Ca -0.17 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.93 1r44 n TRP 67 Cb 0.54 -0.19 -0.07 0.00 -2.01 0.00 0.00 31.31 29.57 1r44 n TRP 67 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1r44 s ASP 68 N -3.70 -0.53 0.00 -0.99 2.15 -1.19 -2.92 116.67 109.48 1r44 s ASP 68 Ca -0.03 1.00 0.00 0.00 0.43 0.00 0.00 52.55 53.95 1r44 s ASP 68 Cb 0.01 1.05 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 1r44 s ASP 68 CO 0.15 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 1r44 n GLY 69 N 2.57 2.28 3.74 2.66 0.00 -1.26 0.62 105.19 115.79 1r44 n GLY 69 Ca -0.14 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1r44 n GLY 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1r44 s TYR 70 N 2.60 2.87 -0.12 1.61 5.04 0.21 -4.76 117.35 124.79 1r44 s TYR 70 Ca 0.00 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1r44 s TYR 70 Cb 0.00 -4.04 0.02 0.00 0.35 0.00 0.00 41.96 38.29 1r44 s TYR 70 CO 0.00 -3.68 -0.12 0.50 -1.34 0.00 0.00 175.55 170.92 1r44 s ARG 71 N 0.21 1.93 0.65 4.97 3.52 -1.04 -4.66 118.95 124.52 1r44 s ARG 71 Ca 0.67 -0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 55.67 1r44 s ARG 71 Cb -0.47 -1.80 -0.01 0.00 -1.56 0.00 0.00 34.95 31.11 1r44 s ARG 71 CO 0.41 -0.20 1.23 -2.14 -0.81 0.00 0.00 175.30 173.79 1r44 s PRO 72 N 1.42 2.62 0.37 5.12 0.02 -1.26 -3.18 135.00 140.11 1r44 s PRO 72 Ca 0.01 1.87 0.05 0.00 0.02 0.00 0.00 61.00 62.95 1r44 s PRO 72 Cb -0.13 -1.88 0.73 0.00 0.02 0.00 0.00 34.50 33.23 1r44 s PRO 72 CO -0.07 -1.50 2.00 0.87 -0.33 0.00 0.00 177.00 177.98 1r44 h LYS 73 N 0.45 0.73 0.00 5.54 1.57 -1.62 0.45 116.57 123.69 1r44 h LYS 73 Ca -0.50 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.20 1r44 h LYS 73 Cb 1.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1r44 h LYS 73 CO 0.53 0.48 -0.20 0.07 -0.57 0.00 0.00 179.45 179.76 1r44 h ARG 74 N 0.75 0.00 -0.55 3.15 0.11 -1.87 0.60 114.38 116.58 1r44 h ARG 74 Ca 0.25 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.22 1r44 h ARG 74 Cb 0.05 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 1r44 h ARG 74 CO -0.07 0.20 -0.08 0.00 0.10 0.00 0.00 179.97 180.13 1r44 h ALA 75 N 1.80 0.75 -0.55 0.08 0.00 -0.70 0.17 119.26 120.80 1r44 h ALA 75 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1r44 h ALA 75 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1r44 h ALA 75 CO 0.03 0.64 -0.08 0.28 0.00 0.00 0.00 179.25 180.11 1r44 h VAL 76 N 0.90 1.27 -0.41 0.00 2.07 -0.75 -1.20 116.25 118.13 1r44 h VAL 76 Ca 0.15 -1.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 1r44 h VAL 76 Cb 0.64 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1r44 h VAL 76 CO 0.04 0.44 -0.19 0.78 0.02 0.00 0.00 177.57 178.67 1r44 h ASN 77 N 0.92 0.79 -0.84 0.57 2.35 -0.73 -2.08 115.58 116.55 1r44 h ASN 77 Ca 0.15 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1r44 h ASN 77 Cb 0.64 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1r44 h ASN 77 CO 0.04 0.97 0.55 0.00 -1.65 0.00 0.00 177.43 177.34 1r44 h PHE 79 N 1.11 1.19 -0.35 0.00 0.05 -0.89 -0.91 116.94 117.15 1r44 h PHE 79 Ca 0.32 -0.13 -0.06 0.00 3.82 0.00 0.00 57.97 61.92 1r44 h PHE 79 Cb -0.09 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 37.50 1r44 h PHE 79 CO -0.02 0.95 -0.01 0.52 -0.18 0.00 0.00 178.31 179.57 1r44 h MET 80 N 1.09 0.64 -0.72 1.51 2.86 -0.92 -0.35 114.93 119.04 1r44 h MET 80 Ca 0.23 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1r44 h MET 80 Cb 0.33 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1r44 h MET 80 CO -0.00 0.76 0.46 1.96 1.06 0.00 0.00 176.91 181.15 1r44 h GLN 81 N 0.44 0.90 -0.63 1.72 1.08 -0.55 -2.39 115.11 115.68 1r44 h GLN 81 Ca 0.10 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1r44 h GLN 81 Cb 0.48 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1r44 h GLN 81 CO 0.02 0.60 0.11 2.35 -0.95 0.00 0.00 178.83 180.96 1r44 h TRP 82 N 0.93 1.07 0.00 2.96 7.01 -0.91 -1.95 115.95 125.05 1r44 h TRP 82 Ca 0.27 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1r44 h TRP 82 Cb -0.05 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.71 1r44 h TRP 82 CO -0.03 0.90 -0.14 0.00 -2.79 0.00 0.00 178.44 176.38 1r44 h ALA 83 N 1.16 1.18 -0.00 2.65 0.00 -0.71 -2.05 119.26 121.48 1r44 h ALA 83 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r44 h ALA 83 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1r44 h ALA 83 CO 0.01 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.25 1r44 n ALA 84 N -2.25 2.89 -1.89 0.00 0.00 -0.76 -4.41 120.51 114.10 1r44 n ALA 84 Ca -0.01 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1r44 n ALA 84 Cb 0.29 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1r44 n ALA 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r44 s GLN 85 N -2.62 3.60 0.54 0.00 -1.52 -0.77 -5.04 119.66 113.84 1r44 s GLN 85 Ca 0.24 0.72 -0.21 0.00 -1.95 0.00 0.00 55.36 54.15 1r44 s GLN 85 Cb 0.19 -2.10 -0.05 0.00 -0.22 0.00 0.00 33.01 30.84 1r44 s GLN 85 CO 0.52 -0.55 1.29 -1.25 -0.25 0.00 0.00 175.29 175.06 1r44 s PRO 86 N -5.15 3.22 -0.45 2.91 0.04 -1.26 -4.96 135.00 129.35 1r44 s PRO 86 Ca 0.55 2.07 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 1r44 s PRO 86 Cb -0.11 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1r44 s PRO 86 CO 0.53 -1.07 1.43 -2.00 0.04 0.00 0.00 177.00 175.94 1r44 s GLU 87 N -2.94 3.47 0.00 4.56 2.56 -1.26 -4.86 118.70 120.23 1r44 s GLU 87 Ca 0.71 0.81 0.27 0.00 0.00 0.00 0.00 54.97 56.76 1r44 s GLU 87 Cb -0.36 -4.06 0.81 0.00 2.00 0.00 0.00 34.13 32.51 1r44 s GLU 87 CO 0.42 -1.70 1.60 0.27 -0.56 0.00 0.00 175.26 175.30 1r44 n ASN 88 N 9.16 1.81 -0.57 -1.70 2.04 -1.26 -4.95 115.26 119.79 1r44 n ASN 88 Ca 0.16 -1.56 -0.07 0.00 -0.44 0.00 0.00 54.58 52.67 1r44 n ASN 88 Cb 0.48 0.02 -0.03 0.00 -2.53 0.00 0.00 39.78 37.73 1r44 n ASN 88 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1r44 n ASN 89 N 0.37 -4.84 -0.11 0.53 3.02 -1.26 -4.88 115.26 108.09 1r44 n ASN 89 Ca 0.17 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.80 1r44 n ASN 89 Cb 0.41 -3.43 -0.01 0.00 -0.61 0.00 0.00 39.78 36.14 1r44 n ASN 89 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1r44 h LEU 90 N 0.00 0.44 -2.67 3.41 5.85 -1.98 -3.28 115.31 117.08 1r44 h LEU 90 Ca -0.14 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1r44 h LEU 90 Cb 0.95 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1r44 h LEU 90 CO 0.20 0.36 0.00 0.35 -0.34 0.00 0.00 178.44 179.01 1r44 n THR 91 N -4.80 0.83 0.21 1.05 -2.24 -1.26 -4.82 114.28 103.26 1r44 n THR 91 Ca -0.00 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 1r44 n THR 91 Cb 0.05 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 1r44 n THR 91 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1r44 h LYS 92 N 0.00 -0.45 -1.00 -0.78 3.64 -1.90 -1.84 116.57 114.24 1r44 h LYS 92 Ca 0.00 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.60 1r44 h LYS 92 Cb 0.43 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 1r44 h LYS 92 CO 0.00 -0.27 0.61 0.93 -2.27 0.00 0.00 179.45 178.45 1r44 h GLU 93 N -0.51 0.74 0.09 1.90 4.39 -1.85 0.25 114.58 119.58 1r44 h GLU 93 Ca -0.05 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.30 1r44 h GLU 93 Cb 0.38 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1r44 h GLU 93 CO 0.08 0.49 -1.60 0.77 -1.16 0.00 0.00 179.01 177.59 1r44 h SER 94 N 0.76 0.30 0.00 1.42 0.02 -1.90 -3.39 113.55 110.76 1r44 h SER 94 Ca 0.57 -0.47 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1r44 h SER 94 Cb 0.89 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1r44 h SER 94 CO -0.36 1.40 -1.65 -1.22 -1.14 0.00 0.00 176.83 173.87 1r44 n TYR 95 N -3.38 0.00 -2.78 3.45 4.02 -0.70 -4.78 117.16 112.98 1r44 n TYR 95 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 1r44 n TYR 95 Cb 1.04 -0.42 0.06 0.00 -0.02 0.00 0.00 39.34 40.00 1r44 n TYR 95 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1r44 n TYR 96 N -2.20 -2.76 -1.21 -0.72 0.18 0.79 -3.78 117.16 107.46 1r44 n TYR 96 Ca -0.11 -2.16 -0.30 0.00 1.88 0.00 0.00 57.90 57.21 1r44 n TYR 96 Cb 0.63 1.41 0.12 0.00 -0.38 0.00 0.00 39.34 41.13 1r44 n TYR 96 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1r44 s PRO 97 N 0.19 1.54 0.00 -3.48 0.04 -0.63 -3.67 135.00 129.00 1r44 s PRO 97 Ca 0.27 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1r44 s PRO 97 Cb 0.27 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1r44 s PRO 97 CO -0.12 -2.07 0.00 0.09 0.04 0.00 0.00 177.00 174.93 1r44 n ASN 98 N -3.78 0.00 -4.30 6.66 3.02 -1.26 -4.90 115.26 110.70 1r44 n ASN 98 Ca 0.08 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 1r44 n ASN 98 Cb 0.55 -0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 1r44 n ASN 98 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1r44 s ILE 99 N -0.65 1.35 0.52 2.41 1.01 -1.24 -5.14 121.20 119.46 1r44 s ILE 99 Ca 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 60.65 58.56 1r44 s ILE 99 Cb 0.00 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1r44 s ILE 99 CO 0.00 -0.63 0.07 1.51 0.00 0.00 0.00 174.94 175.89 1r44 s ASP 100 N -3.24 4.23 0.44 3.58 3.84 -1.26 -4.89 116.67 119.37 1r44 s ASP 100 Ca 0.20 -1.61 0.13 0.00 -0.00 0.00 0.00 52.55 51.28 1r44 s ASP 100 Cb 0.02 0.58 0.98 0.00 -1.38 0.00 0.00 42.92 43.11 1r44 s ASP 100 CO 0.04 -0.93 2.00 0.03 -0.00 0.00 0.00 175.17 176.31 1r44 h ARG 101 N 1.21 0.08 -0.47 2.11 3.08 -1.94 -1.78 114.38 116.67 1r44 h ARG 101 Ca -0.43 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.47 1r44 h ARG 101 Cb 1.32 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1r44 h ARG 101 CO 0.71 0.21 -0.24 1.15 -1.07 0.00 0.00 179.97 180.73 1r44 h THR 102 N 0.08 1.27 -0.27 2.04 2.02 -1.97 -3.08 112.91 112.99 1r44 h THR 102 Ca 0.02 -1.41 -0.13 0.00 0.77 0.00 0.00 66.41 65.66 1r44 h THR 102 Cb 0.28 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1r44 h THR 102 CO 0.02 0.49 -0.37 -0.33 0.37 0.00 0.00 175.52 175.70 1r44 h GLU 103 N 0.85 0.62 -1.08 6.66 5.08 -1.77 -3.00 114.58 121.94 1r44 h GLU 103 Ca 0.10 -0.30 0.32 0.00 -1.00 0.00 0.00 59.36 58.49 1r44 h GLU 103 Cb 0.83 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 1r44 h GLU 103 CO 0.07 0.89 0.66 0.52 -1.00 0.00 0.00 179.01 180.15 1r44 h MET 104 N 0.51 0.31 0.17 2.33 2.86 -1.26 0.37 114.93 120.24 1r44 h MET 104 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1r44 h MET 104 Cb 0.87 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1r44 h MET 104 CO 0.07 0.21 -0.08 0.82 1.06 0.00 0.00 176.91 178.99 1r44 h ILE 105 N 0.32 0.47 -0.31 -1.22 2.04 -1.60 -0.43 117.51 116.78 1r44 h ILE 105 Ca 0.71 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1r44 h ILE 105 Cb 1.76 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1r44 h ILE 105 CO -0.48 0.14 0.09 0.77 0.00 0.00 0.00 178.15 178.67 1r44 h SER 106 N -0.99 0.08 0.17 1.72 4.64 -1.22 -0.54 113.55 117.41 1r44 h SER 106 Ca -0.02 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1r44 h SER 106 Cb 0.40 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1r44 h SER 106 CO 0.04 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1r44 n LYS 107 N -5.05 0.01 -2.17 4.77 5.02 0.12 -4.89 118.16 115.97 1r44 n LYS 107 Ca 0.00 0.43 -0.03 0.00 -2.02 0.00 0.00 58.31 56.68 1r44 n LYS 107 Cb 0.12 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1r44 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r44 n GLY 108 N -1.01 0.33 0.11 0.72 0.00 -0.21 -4.96 105.19 100.18 1r44 n GLY 108 Ca 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1r44 n GLY 108 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1r44 h TYR 109 N -0.08 0.15 -3.31 1.61 -1.99 -1.35 -3.45 116.97 108.56 1r44 h TYR 109 Ca -0.08 -0.11 -0.64 0.00 2.00 0.00 0.00 58.73 59.90 1r44 h TYR 109 Cb 1.06 -0.01 -0.22 0.00 2.00 0.00 0.00 36.73 39.56 1r44 h TYR 109 CO 0.08 1.54 -0.68 0.08 -0.00 0.00 0.00 178.16 179.18 1r44 s VAL 110 N -2.41 3.74 0.13 -2.88 1.01 -0.45 -5.03 120.40 114.51 1r44 s VAL 110 Ca -0.26 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1r44 s VAL 110 Cb 0.05 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1r44 s VAL 110 CO 0.65 0.50 -0.06 0.00 0.00 0.00 0.00 175.10 176.19 1r44 s ALA 111 N 0.36 1.22 0.12 5.51 0.00 -1.26 -3.86 121.76 123.86 1r44 s ALA 111 Ca -0.05 -1.46 0.33 0.00 0.00 0.00 0.00 51.96 50.79 1r44 s ALA 111 Cb -0.14 0.21 1.60 0.00 0.00 0.00 0.00 23.12 24.79 1r44 s ALA 111 CO 0.03 -0.21 2.00 0.66 0.00 0.00 0.00 175.76 178.25 1r44 h SER 112 N 2.84 0.00 -3.38 0.00 4.64 -1.95 -3.42 113.55 112.29 1r44 h SER 112 Ca -0.36 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.68 1r44 h SER 112 Cb 1.18 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.94 1r44 h SER 112 CO 0.64 0.00 -0.64 -0.75 -0.87 0.00 0.00 176.83 175.20 1r44 s LYS 113 N -3.74 0.04 -0.01 4.77 2.20 -1.26 -4.89 119.74 116.85 1r44 s LYS 113 Ca -0.01 0.37 0.08 0.00 -0.36 0.00 0.00 55.97 56.05 1r44 s LYS 113 Cb 0.10 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 1r44 s LYS 113 CO 0.42 -0.21 -0.25 0.45 -0.36 0.00 0.00 175.35 175.40 1r44 s SER 114 N 1.44 3.18 0.63 1.43 0.15 -1.26 -4.99 113.70 114.28 1r44 s SER 114 Ca -0.06 -0.47 0.38 0.00 0.70 0.00 0.00 55.95 56.50 1r44 s SER 114 Cb -0.12 -0.38 2.15 0.00 -1.71 0.00 0.00 66.02 65.96 1r44 s SER 114 CO -0.05 0.31 2.32 0.77 1.20 0.00 0.00 173.24 177.79 1r44 h SER 115 N 5.33 0.00 -0.50 5.45 4.64 -2.00 -2.43 113.55 124.03 1r44 h SER 115 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1r44 h SER 115 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1r44 h SER 115 CO 0.47 0.00 0.13 0.45 -0.87 0.00 0.00 176.83 177.01 1r44 h HIS 116 N 0.00 0.89 0.00 4.77 3.86 -1.89 -2.37 115.15 120.41 1r44 h HIS 116 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1r44 h HIS 116 Cb 0.02 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1r44 h HIS 116 CO 0.00 0.74 0.00 0.77 0.86 0.00 0.00 177.93 180.30 1r44 h SER 117 N 0.83 0.00 1.01 2.45 0.02 -1.39 -0.71 113.55 115.76 1r44 h SER 117 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1r44 h SER 117 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1r44 h SER 117 CO -0.00 0.00 -0.10 0.54 -1.14 0.00 0.00 176.83 176.13 1r44 n ARG 118 N -2.59 0.07 -0.32 3.45 1.74 -0.89 -0.79 116.66 117.32 1r44 n ARG 118 Ca -0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1r44 n ARG 118 Cb 0.13 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1r44 n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r44 n GLY 119 N 1.46 1.00 0.25 -0.13 0.00 -0.30 -4.64 105.19 102.83 1r44 n GLY 119 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1r44 n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r44 n SER 120 N 0.00 2.58 -4.74 1.61 7.64 -1.26 -0.72 113.62 118.73 1r44 n SER 120 Ca 0.00 -2.70 -0.32 0.00 1.01 0.00 0.00 58.87 56.86 1r44 n SER 120 Cb 0.00 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 1r44 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r44 s ALA 121 N -2.22 3.45 0.01 -0.43 0.00 -1.26 -0.93 121.76 120.39 1r44 s ALA 121 Ca 0.25 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1r44 s ALA 121 Cb 0.20 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1r44 s ALA 121 CO 0.04 0.69 -0.04 -1.50 0.00 0.00 0.00 175.76 174.95 1r44 s ILE 122 N -1.20 0.27 -0.18 0.00 1.10 0.20 -4.20 121.20 117.19 1r44 s ILE 122 Ca 0.23 -0.51 -0.03 0.00 -0.51 0.00 0.00 60.65 59.83 1r44 s ILE 122 Cb -0.12 -0.30 -0.02 0.00 0.15 0.00 0.00 42.46 42.17 1r44 s ILE 122 CO 0.14 -0.16 -0.04 -1.81 -2.11 0.00 0.00 174.94 170.96 1r44 s ASP 123 N -0.71 4.56 0.21 4.50 1.01 0.20 -1.75 116.67 124.70 1r44 s ASP 123 Ca -0.05 -0.24 -0.21 0.00 0.71 0.00 0.00 52.55 52.76 1r44 s ASP 123 Cb -0.05 -1.76 0.04 0.00 1.01 0.00 0.00 42.92 42.16 1r44 s ASP 123 CO -0.00 0.10 0.63 -1.48 0.21 0.00 0.00 175.17 174.62 1r44 s LEU 124 N 0.79 -0.29 0.00 1.23 2.34 -0.98 0.13 118.68 121.90 1r44 s LEU 124 Ca -0.02 -0.35 0.01 0.00 0.06 0.00 0.00 54.13 53.84 1r44 s LEU 124 Cb -0.15 2.53 -0.00 0.00 -0.56 0.00 0.00 46.19 48.01 1r44 s LEU 124 CO 0.02 -1.13 0.04 0.41 -1.06 0.00 0.00 176.35 174.63 1r44 n THR 125 N -0.40 0.00 -4.33 5.48 -1.04 -0.34 -4.60 114.28 109.05 1r44 n THR 125 Ca -0.10 -0.89 -0.30 0.00 -2.04 0.00 0.00 64.05 60.72 1r44 n THR 125 Cb 0.62 0.29 -0.11 0.00 -1.82 0.00 0.00 70.33 69.31 1r44 n THR 125 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1r44 s LEU 126 N 0.00 2.92 0.23 -4.42 1.43 -1.26 -0.29 118.68 117.29 1r44 s LEU 126 Ca 0.06 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1r44 s LEU 126 Cb 0.00 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1r44 s LEU 126 CO 0.04 0.20 -0.14 -0.72 0.23 0.00 0.00 176.35 175.96 1r44 s TYR 127 N -1.14 1.83 0.05 0.29 -0.85 0.15 -1.76 117.35 115.92 1r44 s TYR 127 Ca 0.19 -0.55 -0.31 0.00 -0.52 0.00 0.00 57.07 55.88 1r44 s TYR 127 Cb -0.11 -0.87 -0.06 0.00 0.38 0.00 0.00 41.96 41.30 1r44 s TYR 127 CO 0.11 0.40 1.31 1.03 -1.52 0.00 0.00 175.55 176.88 1r44 s ARG 128 N -3.64 4.35 0.13 -3.49 1.81 1.00 -0.38 118.95 118.73 1r44 s ARG 128 Ca 0.25 1.90 -0.08 0.00 -1.72 0.00 0.00 55.73 56.07 1r44 s ARG 128 Cb -0.01 -3.40 -0.08 0.00 -0.45 0.00 0.00 34.95 31.01 1r44 s ARG 128 CO 0.09 -0.41 1.34 1.25 -0.68 0.00 0.00 175.30 176.88 1r44 h LEU 129 N 7.34 0.75 0.00 2.53 5.85 -1.14 0.65 115.31 131.29 1r44 h LEU 129 Ca -0.40 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 57.81 1r44 h LEU 129 Cb 1.20 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1r44 h LEU 129 CO 0.86 1.29 -0.00 -2.24 -0.34 0.00 0.00 178.44 178.01 1r44 h ASP 130 N 0.41 -0.00 1.00 1.25 -0.00 -1.93 -3.32 116.42 113.83 1r44 h ASP 130 Ca -0.06 -0.41 -0.16 0.00 -0.00 0.00 0.00 57.03 56.40 1r44 h ASP 130 Cb 1.42 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.73 1r44 h ASP 130 CO 0.15 0.41 -1.07 0.74 -0.00 0.00 0.00 179.24 179.48 1r44 h THR 131 N -0.41 0.82 0.00 1.15 2.02 -1.94 -3.47 112.91 111.07 1r44 h THR 131 Ca -0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1r44 h THR 131 Cb 0.41 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1r44 h THR 131 CO 0.00 0.47 0.00 0.61 0.37 0.00 0.00 175.52 176.97 1r44 n GLY 132 N 1.34 1.17 3.88 2.16 0.00 0.22 -5.01 105.19 108.96 1r44 n GLY 132 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1r44 n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r44 s GLU 133 N -0.17 3.65 0.27 1.61 2.02 -1.25 -4.74 118.70 120.10 1r44 s GLU 133 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 1r44 s GLU 133 Cb 0.00 -2.28 -0.10 0.00 0.10 0.00 0.00 34.13 31.85 1r44 s GLU 133 CO 0.00 -0.27 1.31 -0.51 0.02 0.00 0.00 175.26 175.81 1r44 s LEU 134 N -4.58 4.43 -0.13 1.80 1.43 -1.26 -0.00 118.68 120.37 1r44 s LEU 134 Ca 0.51 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 55.87 1r44 s LEU 134 Cb -0.10 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1r44 s LEU 134 CO 0.43 -0.52 1.25 -0.69 0.23 0.00 0.00 176.35 177.05 1r44 s VAL 135 N -0.58 4.26 0.12 -1.59 1.01 -0.72 -4.77 120.40 118.14 1r44 s VAL 135 Ca 0.52 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 1r44 s VAL 135 Cb -0.38 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1r44 s VAL 135 CO 0.46 -0.10 1.63 -2.16 0.00 0.00 0.00 175.10 174.93 1r44 s PRO 136 N 3.11 4.20 0.00 2.72 0.04 -1.26 -4.82 135.00 138.99 1r44 s PRO 136 Ca 0.55 2.37 0.01 0.00 0.04 0.00 0.00 61.00 63.97 1r44 s PRO 136 Cb -0.23 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 30.93 1r44 s PRO 136 CO 0.17 -0.69 0.49 -1.33 0.04 0.00 0.00 177.00 175.68 1r44 n MET 137 N 4.85 -0.23 0.00 4.56 2.81 -1.26 -4.37 117.12 123.48 1r44 n MET 137 Ca 0.15 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 1r44 n MET 137 Cb 0.39 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.92 1r44 n MET 137 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r44 n GLY 138 N 0.14 3.06 3.13 3.03 0.00 -1.26 -4.81 105.19 108.49 1r44 n GLY 138 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1r44 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r44 s SER 139 N -0.43 0.20 0.61 1.61 1.04 -1.26 -5.00 113.70 110.47 1r44 s SER 139 Ca 0.00 -0.62 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 1r44 s SER 139 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1r44 s SER 139 CO 0.00 -0.57 1.02 -0.60 0.98 0.00 0.00 173.24 174.07 1r44 s ARG 140 N -3.07 3.62 0.18 4.02 3.52 -1.26 -4.98 118.95 120.99 1r44 s ARG 140 Ca -0.01 0.75 -0.33 0.00 -0.13 0.00 0.00 55.73 56.00 1r44 s ARG 140 Cb 0.02 -2.10 -0.14 0.00 -1.56 0.00 0.00 34.95 31.17 1r44 s ARG 140 CO -0.07 -0.53 1.41 0.34 -0.81 0.00 0.00 175.30 175.64 1r44 n PHE 141 N -2.64 1.97 -2.78 5.12 7.35 -1.26 -1.63 117.46 123.59 1r44 n PHE 141 Ca 0.06 0.45 -0.20 0.00 -0.76 0.00 0.00 57.45 57.00 1r44 n PHE 141 Cb 0.54 -2.44 0.02 0.00 0.35 0.00 0.00 39.48 37.95 1r44 n PHE 141 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1r44 n ASP 142 N 2.58 -5.72 0.22 -2.13 8.00 -1.26 -4.94 116.55 113.30 1r44 n ASP 142 Ca 0.15 -0.19 0.09 0.00 0.71 0.00 0.00 54.79 55.55 1r44 n ASP 142 Cb 0.28 -4.61 0.49 0.00 -0.02 0.00 0.00 41.12 37.26 1r44 n ASP 142 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1r44 h PHE 143 N -0.90 0.00 -5.51 1.24 3.57 -1.52 -3.43 116.94 110.38 1r44 h PHE 143 Ca -0.48 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.71 1r44 h PHE 143 Cb 1.34 0.00 0.17 0.00 2.79 0.00 0.00 35.95 40.24 1r44 h PHE 143 CO 0.49 0.25 -0.75 -1.33 -2.23 0.00 0.00 178.31 174.74 1r44 n MET 144 N -3.53 -6.16 -3.60 1.11 2.81 -1.25 -4.12 117.12 102.38 1r44 n MET 144 Ca -0.01 0.82 -0.11 0.00 -1.81 0.00 0.00 57.70 56.60 1r44 n MET 144 Cb 0.40 -5.75 -0.03 0.00 -0.71 0.00 0.00 33.22 27.13 1r44 n MET 144 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1r44 s ASP 145 N -4.26 -0.34 0.56 7.83 2.15 -1.26 -4.68 116.67 116.67 1r44 s ASP 145 Ca 0.02 -0.27 0.37 0.00 0.43 0.00 0.00 52.55 53.10 1r44 s ASP 145 Cb -0.00 0.55 1.88 0.00 -0.30 0.00 0.00 42.92 45.04 1r44 s ASP 145 CO 0.70 -0.96 2.13 -0.33 -0.17 0.00 0.00 175.17 176.54 1r44 h GLU 146 N 2.20 0.00 -0.17 4.34 5.08 -1.93 -0.36 114.58 123.74 1r44 h GLU 146 Ca -0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1r44 h GLU 146 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1r44 h GLU 146 CO 0.41 0.00 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.32 1r44 h ARG 147 N 0.00 0.24 0.00 2.33 9.65 -1.95 -2.57 114.38 122.08 1r44 h ARG 147 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1r44 h ARG 147 Cb 0.16 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1r44 h ARG 147 CO 0.00 0.27 0.00 0.43 2.80 0.00 0.00 179.97 183.47 1r44 n SER 148 N -4.39 0.19 -4.75 -3.80 7.64 -0.14 -4.76 113.62 103.61 1r44 n SER 148 Ca -0.00 0.52 -0.38 0.00 1.01 0.00 0.00 58.87 60.02 1r44 n SER 148 Cb 0.18 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 62.84 1r44 n SER 148 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1r44 s HIS 149 N -3.04 2.33 0.18 1.43 3.76 -0.97 -1.36 115.29 117.62 1r44 s HIS 149 Ca 0.11 1.43 -0.12 0.00 -0.15 0.00 0.00 55.06 56.34 1r44 s HIS 149 Cb 0.15 -3.69 0.09 0.00 1.11 0.00 0.00 32.58 30.25 1r44 s HIS 149 CO 0.48 -2.65 1.76 0.45 -0.85 0.00 0.00 174.74 173.94 1r44 h HIS 150 N 1.28 0.90 -0.01 1.40 3.86 -0.35 -2.79 115.15 119.44 1r44 h HIS 150 Ca -0.51 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1r44 h HIS 150 Cb 1.30 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1r44 h HIS 150 CO 0.46 0.69 0.00 0.00 0.86 0.00 0.00 177.93 179.94 1r44 n ALA 151 N -2.35 2.64 -1.72 2.45 0.00 -1.26 -4.94 120.51 115.33 1r44 n ALA 151 Ca 0.04 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 1r44 n ALA 151 Cb 0.13 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.22 1r44 n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r44 n ALA 152 N -0.80 1.54 -2.78 0.00 0.00 -1.06 -5.04 120.51 112.37 1r44 n ALA 152 Ca 0.18 0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 1r44 n ALA 152 Cb 0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 1r44 n ALA 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r44 s ASN 153 N -0.59 5.47 0.00 0.00 4.22 -1.26 -4.53 114.94 118.24 1r44 s ASN 153 Ca 0.63 -0.29 0.00 0.00 -2.14 0.00 0.00 52.86 51.06 1r44 s ASN 153 Cb -0.47 -1.34 0.00 0.00 1.28 0.00 0.00 41.25 40.72 1r44 s ASN 153 CO 0.56 -0.07 0.00 0.61 -2.04 0.00 0.00 177.10 176.16 1r44 n GLY 154 N -1.20 0.78 3.24 0.45 0.00 -1.26 -4.86 105.19 102.34 1r44 n GLY 154 Ca -0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1r44 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r44 s ILE 155 N -2.00 1.70 1.17 -0.61 1.09 -1.26 -5.10 121.20 116.18 1r44 s ILE 155 Ca 0.00 -0.98 -0.17 0.00 -1.10 0.00 0.00 60.65 58.39 1r44 s ILE 155 Cb 0.00 -1.43 0.27 0.00 -1.06 0.00 0.00 42.46 40.24 1r44 s ILE 155 CO 0.00 0.42 1.08 -0.94 -0.10 0.00 0.00 174.94 175.41 1r44 s SER 156 N -0.66 1.19 0.24 3.58 1.04 -1.26 -4.74 113.70 113.10 1r44 s SER 156 Ca 0.08 0.85 -0.00 0.00 0.48 0.00 0.00 55.95 57.36 1r44 s SER 156 Cb -0.08 -1.26 0.28 0.00 0.10 0.00 0.00 66.02 65.06 1r44 s SER 156 CO -0.00 -3.98 1.64 0.00 0.98 0.00 0.00 173.24 171.88 1r44 h ASN 158 N 0.46 -0.06 -0.50 0.00 2.35 -1.97 -0.33 115.58 115.53 1r44 h ASN 158 Ca 0.05 -0.40 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1r44 h ASN 158 Cb 0.81 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.16 1r44 h ASN 158 CO 0.07 0.38 0.28 -0.33 -1.65 0.00 0.00 177.43 176.18 1r44 h GLU 159 N -0.52 0.55 -0.72 0.81 5.08 -1.74 0.55 114.58 118.58 1r44 h GLU 159 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1r44 h GLU 159 Cb 0.46 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1r44 h GLU 159 CO 0.01 0.36 0.23 0.00 -1.00 0.00 0.00 179.01 178.61 1r44 h ALA 160 N 1.24 1.03 -0.63 3.43 0.00 -1.11 -2.00 119.26 121.22 1r44 h ALA 160 Ca 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1r44 h ALA 160 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1r44 h ALA 160 CO -0.11 0.65 0.09 0.37 0.00 0.00 0.00 179.25 180.25 1r44 h GLN 161 N 1.07 1.03 -0.68 0.00 4.15 -0.26 -2.07 115.11 118.35 1r44 h GLN 161 Ca 0.23 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1r44 h GLN 161 Cb 0.30 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1r44 h GLN 161 CO -0.01 0.95 0.27 -0.91 -1.93 0.00 0.00 178.83 177.20 1r44 h ASN 162 N 0.97 0.94 -0.56 -0.69 2.35 0.41 -0.18 115.58 118.82 1r44 h ASN 162 Ca 0.19 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1r44 h ASN 162 Cb 0.43 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1r44 h ASN 162 CO 0.01 0.86 0.13 0.03 -1.65 0.00 0.00 177.43 176.81 1r44 h ARG 163 N 0.97 0.95 -0.43 0.81 3.08 -1.20 -1.09 114.38 117.46 1r44 h ARG 163 Ca 0.23 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1r44 h ARG 163 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1r44 h ARG 163 CO -0.02 0.85 -0.01 0.00 -1.07 0.00 0.00 179.97 179.73 1r44 h ARG 164 N 0.90 0.71 -0.37 0.04 3.08 -0.95 -0.71 114.38 117.08 1r44 h ARG 164 Ca 0.19 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 1r44 h ARG 164 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1r44 h ARG 164 CO 0.00 0.73 -0.37 0.00 -1.07 0.00 0.00 179.97 179.26 1r44 h ARG 165 N 0.66 0.86 0.13 0.04 3.08 -0.23 -0.65 114.38 118.28 1r44 h ARG 165 Ca 0.13 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1r44 h ARG 165 Cb 0.42 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1r44 h ARG 165 CO 0.02 1.09 -0.06 1.25 -1.07 0.00 0.00 179.97 181.19 1r44 h LEU 166 N 0.71 -0.15 -0.62 3.04 6.46 -1.02 -1.51 115.31 122.23 1r44 h LEU 166 Ca 0.06 -0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1r44 h LEU 166 Cb 0.95 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.85 1r44 h LEU 166 CO 0.09 -0.02 0.30 -0.09 -0.62 0.00 0.00 178.44 178.10 1r44 h ARG 167 N -0.27 0.54 -0.51 1.25 2.43 -1.05 -0.93 114.38 115.84 1r44 h ARG 167 Ca -0.02 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1r44 h ARG 167 Cb 0.21 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1r44 h ARG 167 CO 0.03 0.36 0.15 1.03 -1.51 0.00 0.00 179.97 180.02 1r44 h SER 168 N 0.55 0.76 -0.67 -3.80 0.87 -1.01 0.21 113.55 110.46 1r44 h SER 168 Ca 0.29 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1r44 h SER 168 Cb 0.25 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1r44 h SER 168 CO -0.22 0.78 0.43 0.40 -0.53 0.00 0.00 176.83 177.69 1r44 h ILE 169 N 0.70 1.12 -0.26 2.23 2.04 -0.64 -0.35 117.51 122.36 1r44 h ILE 169 Ca 0.16 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1r44 h ILE 169 Cb 0.30 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1r44 h ILE 169 CO -0.00 0.16 -0.21 0.24 0.00 0.00 0.00 178.15 178.33 1r44 h MET 170 N 0.86 0.60 -0.53 2.37 2.86 -0.96 -2.89 114.93 117.24 1r44 h MET 170 Ca 0.26 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1r44 h MET 170 Cb -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1r44 h MET 170 CO -0.09 0.89 -0.05 0.93 1.06 0.00 0.00 176.91 179.66 1r44 h GLU 171 N 0.32 0.95 0.00 1.72 5.08 -0.45 -0.54 114.58 121.66 1r44 h GLU 171 Ca 0.05 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1r44 h GLU 171 Cb 0.76 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1r44 h GLU 171 CO 0.06 0.96 0.00 0.09 -1.00 0.00 0.00 179.01 179.12 1r44 n ASN 172 N -4.17 0.00 -0.03 1.42 3.02 -0.15 -2.99 115.26 112.35 1r44 n ASN 172 Ca 0.02 -0.13 0.04 0.00 -0.03 0.00 0.00 54.58 54.47 1r44 n ASN 172 Cb 0.36 -0.18 0.05 0.00 -0.61 0.00 0.00 39.78 39.40 1r44 n ASN 172 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1r44 n SER 173 N -1.18 2.07 0.00 6.41 7.64 -0.72 -4.96 113.62 122.87 1r44 n SER 173 Ca 0.09 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1r44 n SER 173 Cb 0.09 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1r44 n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r44 n GLY 174 N -0.83 0.97 3.65 0.23 0.00 -1.12 -4.76 105.19 103.33 1r44 n GLY 174 Ca 0.06 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1r44 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r44 s PHE 175 N -2.00 2.75 -0.10 1.61 0.40 -0.29 -0.43 117.98 119.92 1r44 s PHE 175 Ca 0.00 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1r44 s PHE 175 Cb 0.00 -1.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1r44 s PHE 175 CO 0.00 0.58 -0.13 -2.00 0.70 0.00 0.00 175.22 174.37 1r44 s GLU 176 N -3.44 3.08 0.75 0.44 2.56 0.19 -3.99 118.70 118.29 1r44 s GLU 176 Ca 0.30 -0.68 -0.13 0.00 0.00 0.00 0.00 54.97 54.46 1r44 s GLU 176 Cb -0.07 -2.55 0.17 0.00 2.00 0.00 0.00 34.13 33.68 1r44 s GLU 176 CO 0.19 0.37 1.02 0.00 -0.56 0.00 0.00 175.26 176.28 1r44 n ALA 177 N 3.07 -1.16 -3.71 6.30 0.00 -1.26 -1.30 120.51 122.44 1r44 n ALA 177 Ca -0.18 -1.33 -0.14 0.00 0.00 0.00 0.00 53.44 51.79 1r44 n ALA 177 Cb 0.53 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 1r44 n ALA 177 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1r44 s TYR 178 N -3.22 -0.21 0.30 0.00 5.04 -1.21 -4.81 117.35 113.26 1r44 s TYR 178 Ca 0.58 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1r44 s TYR 178 Cb -0.02 -0.12 0.54 0.00 0.35 0.00 0.00 41.96 42.72 1r44 s TYR 178 CO 0.40 -0.22 1.91 0.66 -1.34 0.00 0.00 175.55 176.96 1r44 h SER 179 N 7.65 0.90 1.04 4.32 4.64 -1.98 -2.98 113.55 127.14 1r44 h SER 179 Ca -0.32 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1r44 h SER 179 Cb 1.13 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1r44 h SER 179 CO 0.31 0.57 0.00 0.18 -0.87 0.00 0.00 176.83 177.02 1r44 n LEU 180 N -4.50 0.28 -3.57 5.97 4.77 -1.26 0.38 117.00 119.07 1r44 n LEU 180 Ca 0.14 0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 56.47 1r44 n LEU 180 Cb 0.21 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1r44 n LEU 180 CO 0.32 -0.13 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.42 1r44 s GLU 181 N -3.05 0.12 0.44 3.23 2.02 -1.13 -3.39 118.70 116.95 1r44 s GLU 181 Ca 0.11 0.31 0.31 0.00 0.02 0.00 0.00 54.97 55.72 1r44 s GLU 181 Cb 0.15 -0.94 1.45 0.00 0.10 0.00 0.00 34.13 34.89 1r44 s GLU 181 CO 0.50 -0.53 1.92 0.11 0.02 0.00 0.00 175.26 177.28 1r44 h TRP 182 N 8.34 0.00 0.00 1.61 5.08 -1.42 -2.74 115.95 126.82 1r44 h TRP 182 Ca -0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.82 1r44 h TRP 182 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1r44 h TRP 182 CO 0.24 0.00 -0.85 -2.67 -1.28 0.00 0.00 178.44 173.88 1r44 n TRP 183 N -2.67 0.32 -3.18 0.12 2.14 -1.26 -4.85 117.44 108.07 1r44 n TRP 183 Ca -0.00 0.09 -0.39 0.00 2.07 0.00 0.00 57.50 59.27 1r44 n TRP 183 Cb 0.17 -0.48 -0.05 0.00 -0.81 0.00 0.00 31.31 30.14 1r44 n TRP 183 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1r44 s HIS 184 N -3.16 3.58 -0.07 -2.67 2.46 -1.03 -2.31 115.29 112.09 1r44 s HIS 184 Ca 0.05 1.12 -0.05 0.00 0.47 0.00 0.00 55.06 56.65 1r44 s HIS 184 Cb 0.14 -2.67 0.03 0.00 -0.13 0.00 0.00 32.58 29.95 1r44 s HIS 184 CO 0.77 0.18 0.16 0.71 -2.47 0.00 0.00 174.74 174.09 1r44 s TYR 185 N 0.48 -0.19 0.03 3.88 1.51 -0.72 -3.31 117.35 119.04 1r44 s TYR 185 Ca 0.32 0.47 0.09 0.00 -1.01 0.00 0.00 57.07 56.94 1r44 s TYR 185 Cb -0.17 0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.67 1r44 s TYR 185 CO 0.15 -0.12 -0.25 0.08 -1.11 0.00 0.00 175.55 174.31 1r44 s VAL 186 N 0.51 2.26 0.19 0.71 1.01 -0.42 -0.63 120.40 124.04 1r44 s VAL 186 Ca -0.04 -1.29 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 1r44 s VAL 186 Cb -0.05 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1r44 s VAL 186 CO -0.02 0.41 1.48 -0.22 0.00 0.00 0.00 175.10 176.74 1r44 s LEU 187 N -1.14 4.38 0.08 3.92 2.96 -0.10 0.57 118.68 129.33 1r44 s LEU 187 Ca 0.12 2.59 -0.23 0.00 -0.22 0.00 0.00 54.13 56.39 1r44 s LEU 187 Cb -0.10 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 1r44 s LEU 187 CO 0.02 -0.74 1.67 -0.09 -1.32 0.00 0.00 176.35 175.89 1r44 h ARG 188 N 6.00 0.04 -3.43 1.98 2.43 -1.05 -3.32 114.38 117.03 1r44 h ARG 188 Ca -0.44 -0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.08 1r44 h ARG 188 Cb 1.21 -0.01 -0.41 0.00 -0.42 0.00 0.00 29.97 30.35 1r44 h ARG 188 CO 0.84 0.11 -0.62 -0.51 -1.51 0.00 0.00 179.97 178.28 1r44 s ASP 189 N -5.30 4.37 0.14 -3.80 1.01 -1.26 -5.03 116.67 106.79 1r44 s ASP 189 Ca -0.13 -2.98 -0.12 0.00 0.71 0.00 0.00 52.55 50.03 1r44 s ASP 189 Cb 0.06 -1.65 -0.07 0.00 1.01 0.00 0.00 42.92 42.27 1r44 s ASP 189 CO 0.67 -0.24 0.49 -1.83 0.21 0.00 0.00 175.17 174.47 1r44 s GLU 190 N -0.25 3.86 0.47 8.23 -1.05 -1.25 -5.01 118.70 123.70 1r44 s GLU 190 Ca 0.17 0.32 0.17 0.00 -0.15 0.00 0.00 54.97 55.47 1r44 s GLU 190 Cb -0.25 -2.90 1.11 0.00 -0.44 0.00 0.00 34.13 31.65 1r44 s GLU 190 CO -0.00 0.48 2.03 -1.00 0.95 0.00 0.00 175.26 177.72 1r44 h PRO 191 N 3.42 0.00 -2.07 -4.83 0.13 -1.95 -3.35 132.00 123.36 1r44 h PRO 191 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 1r44 h PRO 191 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 1r44 h PRO 191 CO 0.67 0.15 -0.97 0.66 -0.23 0.00 0.00 178.00 178.27 1r44 n TYR 192 N -4.26 1.03 -1.19 1.56 4.02 -1.26 -5.07 117.16 111.99 1r44 n TYR 192 Ca -0.02 -3.78 -0.30 0.00 -0.01 0.00 0.00 57.90 53.78 1r44 n TYR 192 Cb 0.22 -0.42 0.14 0.00 -0.02 0.00 0.00 39.34 39.25 1r44 n TYR 192 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r44 s PRO 193 N -1.94 1.29 0.00 -0.72 0.04 -1.26 -3.13 135.00 129.29 1r44 s PRO 193 Ca 0.38 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1r44 s PRO 193 Cb 0.21 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1r44 s PRO 193 CO -0.09 -2.23 0.00 0.09 0.04 0.00 0.00 177.00 174.82 1r44 n ASN 194 N -3.88 0.00 -4.31 6.66 3.02 -1.26 -4.92 115.26 110.57 1r44 n ASN 194 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.25 1r44 n ASN 194 Cb 0.55 -1.81 -0.13 0.00 -0.61 0.00 0.00 39.78 37.78 1r44 n ASN 194 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1r44 s SER 195 N -2.13 5.13 -0.36 6.41 0.01 -1.18 -5.07 113.70 116.51 1r44 s SER 195 Ca 0.00 -0.88 -0.05 0.00 1.31 0.00 0.00 55.95 56.34 1r44 s SER 195 Cb 0.00 -1.86 0.06 0.00 0.21 0.00 0.00 66.02 64.43 1r44 s SER 195 CO 0.00 -0.24 0.13 -0.31 0.41 0.00 0.00 173.24 173.23 1r44 s TYR 196 N 1.45 3.35 0.58 2.43 1.51 -1.26 -3.81 117.35 121.60 1r44 s TYR 196 Ca 0.01 -1.78 -0.08 0.00 -1.01 0.00 0.00 57.07 54.20 1r44 s TYR 196 Cb -0.18 -2.56 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 1r44 s TYR 196 CO 0.02 -0.82 0.94 -0.06 -1.11 0.00 0.00 175.55 174.51 1r44 s PHE 197 N 1.31 3.49 -0.13 2.71 0.40 0.03 -4.88 117.98 120.91 1r44 s PHE 197 Ca 0.00 0.97 0.23 0.00 -0.60 0.00 0.00 56.93 57.53 1r44 s PHE 197 Cb -0.21 -2.64 0.44 0.00 0.51 0.00 0.00 43.02 41.12 1r44 s PHE 197 CO 0.00 -0.66 1.15 -3.47 0.70 0.00 0.00 175.22 172.94 1r44 n ASP 198 N -2.60 1.02 -4.85 1.36 2.03 -1.26 -1.63 116.55 110.62 1r44 n ASP 198 Ca 0.04 -2.02 -0.33 0.00 0.52 0.00 0.00 54.79 53.00 1r44 n ASP 198 Cb 0.56 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 1r44 n ASP 198 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1r44 s PHE 199 N -1.61 3.48 0.60 -0.67 -0.12 -1.26 -4.81 117.98 113.59 1r44 s PHE 199 Ca 0.28 1.05 -0.16 0.00 -0.05 0.00 0.00 56.93 58.06 1r44 s PHE 199 Cb 0.34 -2.39 -0.03 0.00 -0.63 0.00 0.00 43.02 40.31 1r44 s PHE 199 CO -0.10 0.27 1.06 -2.14 -0.05 0.00 0.00 175.22 174.26 1r44 s PRO 200 N -2.55 3.25 -0.75 1.99 0.02 -1.26 -4.58 135.00 131.12 1r44 s PRO 200 Ca 0.46 1.23 -0.26 0.00 0.02 0.00 0.00 61.00 62.45 1r44 s PRO 200 Cb -0.12 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.41 1r44 s PRO 200 CO 0.20 -0.87 1.23 0.08 -0.33 0.00 0.00 177.00 177.31 1r44 s VAL 201 N -2.44 3.87 0.00 3.83 1.01 0.23 -4.97 120.40 121.92 1r44 s VAL 201 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1r44 s VAL 201 Cb -0.17 -4.88 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1r44 s VAL 201 CO 0.38 -1.79 0.00 1.17 0.00 0.00 0.00 175.10 174.86