#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 0.43 -2.59 2.12 4.07 -1.26 -4.94 120.64 118.47 1r44 n GLU 2 Ca 0.00 0.19 -0.41 0.00 -0.06 0.00 0.00 57.16 56.88 1r44 n GLU 2 Cb 0.00 -1.99 -0.05 0.00 -0.06 0.00 0.00 31.44 29.35 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 -1.84 3.92 0.00 6.31 1.10 -1.26 -2.66 121.20 126.77 1r44 s ILE 3 Ca 0.69 1.76 0.00 0.00 -0.51 0.00 0.00 60.65 62.59 1r44 s ILE 3 Cb -0.36 -4.12 0.00 0.00 0.15 0.00 0.00 42.46 38.13 1r44 s ILE 3 CO 0.54 0.35 0.00 0.61 -2.11 0.00 0.00 174.94 174.33 1r44 n GLY 4 N 1.77 2.08 3.87 1.50 0.00 -1.26 -5.02 105.19 108.13 1r44 n GLY 4 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.47 3.23 0.11 1.61 0.40 -1.09 -1.06 117.98 118.72 1r44 s PHE 5 Ca 0.00 -0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.16 1r44 s PHE 5 Cb 0.00 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 42.06 1r44 s PHE 5 CO 0.00 0.50 0.28 -0.08 0.70 0.00 0.00 175.22 176.62 1r44 s THR 6 N -2.02 0.11 -0.15 0.64 -1.32 0.17 -4.76 115.64 108.31 1r44 s THR 6 Ca 0.33 -1.00 -0.29 0.00 -1.21 0.00 0.00 61.69 59.52 1r44 s THR 6 Cb -0.09 -1.36 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 1r44 s THR 6 CO 0.26 -0.48 1.40 -0.36 -2.21 0.00 0.00 174.62 173.23 1r44 s PHE 7 N -3.86 2.54 0.53 9.09 0.08 -1.26 -0.40 117.98 124.70 1r44 s PHE 7 Ca 0.06 0.74 0.19 0.00 0.12 0.00 0.00 56.93 58.03 1r44 s PHE 7 Cb 0.03 -3.68 1.34 0.00 -0.57 0.00 0.00 43.02 40.15 1r44 s PHE 7 CO -0.10 -2.40 2.13 -0.07 -0.10 0.00 0.00 175.22 174.69 1r44 h LEU 8 N 10.08 0.00 -1.55 -0.37 3.38 -0.78 -1.77 115.31 124.29 1r44 h LEU 8 Ca -0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1r44 h LEU 8 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1r44 h LEU 8 CO 0.97 0.00 -0.09 -2.24 0.09 0.00 0.00 178.44 177.17 1r44 h ASP 9 N 0.00 0.00 0.74 -0.43 2.03 -1.78 0.20 116.42 117.19 1r44 h ASP 9 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1r44 h ASP 9 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1r44 h ASP 9 CO -0.00 0.09 0.00 -0.62 -1.03 0.00 0.00 179.24 177.68 1r44 n GLU 10 N -3.28 0.03 -0.05 4.15 1.02 -0.67 -3.76 120.64 118.09 1r44 n GLU 10 Ca -0.00 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1r44 n GLU 10 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.48 0.51 -3.27 -3.67 2.08 -0.89 -4.84 119.36 107.81 1r44 n ILE 11 Ca 0.06 -0.15 -0.46 0.00 0.56 0.00 0.00 62.75 62.75 1r44 n ILE 11 Cb 0.26 -1.34 -0.02 0.00 -0.75 0.00 0.00 39.64 37.79 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 -2.17 5.49 0.01 1.39 1.01 0.66 -4.98 120.40 121.81 1r44 s VAL 12 Ca -0.13 -2.35 -0.25 0.00 0.00 0.00 0.00 61.98 59.25 1r44 s VAL 12 Cb 0.04 -4.52 -0.18 0.00 0.00 0.00 0.00 36.38 31.72 1r44 s VAL 12 CO 0.18 -1.11 1.38 0.45 0.00 0.00 0.00 175.10 176.00 1r44 h HIS 13 N 7.92 -0.10 -0.16 5.22 3.86 -1.84 -3.13 115.15 126.92 1r44 h HIS 13 Ca 0.12 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1r44 h HIS 13 Cb 1.04 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1r44 h HIS 13 CO 1.06 0.22 0.00 0.41 0.86 0.00 0.00 177.93 180.48 1r44 n GLY 14 N -0.26 1.34 3.76 2.45 0.00 -1.26 -4.93 105.19 106.29 1r44 n GLY 14 Ca -0.08 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.54 3.25 0.23 1.61 0.11 -1.18 -4.95 120.40 117.93 1r44 s VAL 15 Ca 0.14 1.23 -0.18 0.00 -2.93 0.00 0.00 61.98 60.24 1r44 s VAL 15 Cb 0.10 -3.78 -0.08 0.00 -1.53 0.00 0.00 36.38 31.08 1r44 s VAL 15 CO 0.05 0.28 0.69 -0.60 -3.33 0.00 0.00 175.10 172.20 1r44 s ARG 16 N -1.41 4.15 0.13 1.54 6.06 -0.79 -5.00 118.95 123.63 1r44 s ARG 16 Ca 0.47 0.75 -0.15 0.00 -2.50 0.00 0.00 55.73 54.30 1r44 s ARG 16 Cb -0.35 -2.81 0.03 0.00 0.06 0.00 0.00 34.95 31.89 1r44 s ARG 16 CO 0.44 0.37 0.38 1.67 -2.50 0.00 0.00 175.30 175.66 1r44 s TRP 17 N -1.60 -0.15 -0.37 5.12 -2.14 -1.26 -0.51 118.94 118.03 1r44 s TRP 17 Ca 0.44 -0.18 0.06 0.00 2.66 0.00 0.00 56.10 59.08 1r44 s TRP 17 Cb -0.15 0.23 0.18 0.00 -3.10 0.00 0.00 33.47 30.62 1r44 s TRP 17 CO 0.20 -0.70 0.56 0.34 -2.66 0.00 0.00 176.95 174.70 1r44 s ASP 18 N -2.82 -0.98 -1.07 -2.66 2.15 -0.15 -4.91 116.67 106.23 1r44 s ASP 18 Ca 0.04 -0.65 -0.23 0.00 0.43 0.00 0.00 52.55 52.14 1r44 s ASP 18 Cb 0.02 1.69 -0.05 0.00 -0.30 0.00 0.00 42.92 44.29 1r44 s ASP 18 CO -0.11 -0.23 1.88 0.00 -0.17 0.00 0.00 175.17 176.54 1r44 s ALA 19 N 2.07 1.95 0.36 3.66 0.00 -1.26 -4.29 121.76 124.24 1r44 s ALA 19 Ca 0.14 -1.98 0.13 0.00 0.00 0.00 0.00 51.96 50.26 1r44 s ALA 19 Cb -0.08 -4.62 0.97 0.00 0.00 0.00 0.00 23.12 19.40 1r44 s ALA 19 CO -0.13 -4.78 1.76 0.87 0.00 0.00 0.00 175.76 173.48 1r44 h LYS 20 N 10.15 0.50 -0.00 0.00 1.79 -1.87 0.26 116.57 127.39 1r44 h LYS 20 Ca 0.19 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1r44 h LYS 20 Cb 0.96 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1r44 h LYS 20 CO 1.26 0.33 -0.12 0.66 -1.08 0.00 0.00 179.45 180.50 1r44 n TYR 21 N -4.73 0.00 -0.48 -1.35 4.01 -1.26 -2.58 117.16 110.76 1r44 n TYR 21 Ca 0.25 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.08 1r44 n TYR 21 Cb 0.78 -0.24 0.34 0.00 -0.31 0.00 0.00 39.34 39.91 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 -1.11 3.15 -2.24 -0.72 0.00 0.90 -0.11 120.51 120.38 1r44 n ALA 22 Ca 0.13 -1.50 -0.13 0.00 0.00 0.00 0.00 53.44 51.93 1r44 n ALA 22 Cb 0.28 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.93 0.48 -1.58 0.00 2.01 -1.07 -4.79 115.64 108.76 1r44 s THR 23 Ca 0.48 -1.97 0.28 0.00 0.31 0.00 0.00 61.69 60.79 1r44 s THR 23 Cb 0.32 -2.28 0.37 0.00 0.01 0.00 0.00 72.50 70.92 1r44 s THR 23 CO 0.22 -0.31 1.77 0.79 -0.69 0.00 0.00 174.62 176.41 1r44 n TRP 24 N -0.28 0.00 -2.58 4.92 8.01 -1.26 -2.33 117.44 123.92 1r44 n TRP 24 Ca -0.04 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.73 1r44 n TRP 24 Cb 0.64 -0.20 0.01 0.00 -2.01 0.00 0.00 31.31 29.76 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 -0.97 6.82 -3.78 -0.99 2.03 -1.26 -4.05 116.55 114.34 1r44 n ASP 25 Ca 0.13 -3.40 -0.14 0.00 0.52 0.00 0.00 54.79 51.90 1r44 n ASP 25 Cb 0.30 -1.29 -0.08 0.00 -0.72 0.00 0.00 41.12 39.33 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 -0.79 0.62 0.42 1.67 4.22 -1.26 -4.85 114.94 114.96 1r44 s ASN 26 Ca 0.39 -1.42 0.29 0.00 -2.14 0.00 0.00 52.86 49.99 1r44 s ASN 26 Cb 0.13 0.51 1.35 0.00 1.28 0.00 0.00 41.25 44.52 1r44 s ASN 26 CO -0.02 -1.03 1.88 2.19 -2.04 0.00 0.00 177.10 178.08 1r44 h PHE 27 N 2.35 0.00 0.00 1.54 -5.15 -1.93 -1.31 116.94 112.44 1r44 h PHE 27 Ca -0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 1r44 h PHE 27 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1r44 h PHE 27 CO 0.90 0.00 -0.31 1.79 -2.00 0.00 0.00 178.31 178.69 1r44 h THR 28 N 0.00 0.00 0.00 0.88 1.35 -1.97 -3.44 112.91 109.74 1r44 h THR 28 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1r44 h THR 28 Cb 0.28 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1r44 h THR 28 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1r44 n GLY 29 N 1.30 2.22 3.42 5.82 0.00 -0.50 -4.98 105.19 112.48 1r44 n GLY 29 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.17 1.63 0.40 1.61 1.02 -1.26 -4.70 119.74 118.28 1r44 s LYS 30 Ca 0.00 -1.92 -0.27 0.00 0.02 0.00 0.00 55.97 53.81 1r44 s LYS 30 Cb 0.00 -0.67 -0.10 0.00 -0.52 0.00 0.00 37.83 36.54 1r44 s LYS 30 CO 0.00 -0.26 1.40 -2.30 -0.92 0.00 0.00 175.35 173.26 1r44 n PRO 31 N -0.66 2.33 -3.37 -1.68 -0.02 -0.99 -4.59 135.00 126.02 1r44 n PRO 31 Ca -0.02 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.91 1r44 n PRO 31 Cb 0.66 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.15 4.86 0.22 -1.45 1.01 0.84 -4.98 120.40 119.76 1r44 s VAL 32 Ca 0.57 0.93 -0.32 0.00 0.00 0.00 0.00 61.98 63.17 1r44 s VAL 32 Cb -0.49 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 1r44 s VAL 32 CO 0.61 0.41 1.71 -0.67 0.00 0.00 0.00 175.10 177.16 1r44 n ASP 33 N 1.28 4.02 0.00 3.32 2.03 -1.26 -1.74 116.55 124.19 1r44 n ASP 33 Ca -0.09 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1r44 n ASP 33 Cb 0.52 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 3.71 1.30 3.28 0.27 0.00 -1.26 -2.62 105.19 109.87 1r44 n GLY 34 Ca 0.15 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 -2.29 3.45 -2.13 1.61 2.02 -0.71 0.46 117.35 119.75 1r44 s TYR 35 Ca 0.00 -1.72 0.21 0.00 -0.37 0.00 0.00 57.07 55.19 1r44 s TYR 35 Cb 0.00 -3.70 0.05 0.00 -0.40 0.00 0.00 41.96 37.91 1r44 s TYR 35 CO 0.00 -0.99 1.07 0.39 -1.57 0.00 0.00 175.55 174.45 1r44 n GLU 36 N 4.68 1.56 -4.03 -0.62 1.02 0.79 -4.68 120.64 119.37 1r44 n GLU 36 Ca -0.03 -1.20 -0.14 0.00 -0.02 0.00 0.00 57.16 55.77 1r44 n GLU 36 Cb 0.42 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.16 0.24 -1.25 2.62 1.01 -1.03 -4.93 120.40 114.89 1r44 s VAL 37 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1r44 s VAL 37 Cb 0.17 -0.22 0.19 0.00 0.00 0.00 0.00 36.38 36.51 1r44 s VAL 37 CO 0.45 0.02 1.81 -3.20 0.00 0.00 0.00 175.10 174.17 1r44 n ASN 38 N 2.86 5.26 -3.97 3.32 2.85 -1.26 -4.71 115.26 119.61 1r44 n ASN 38 Ca -0.13 -3.14 -0.08 0.00 -0.11 0.00 0.00 54.58 51.11 1r44 n ASN 38 Cb 0.59 -1.46 -0.09 0.00 1.24 0.00 0.00 39.78 40.07 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 0.02 0.74 -0.27 1.20 0.52 -1.26 -4.72 118.95 115.19 1r44 s ARG 39 Ca 0.39 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 54.41 1r44 s ARG 39 Cb 0.08 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.79 1r44 s ARG 39 CO 0.02 -0.20 0.15 0.42 0.02 0.00 0.00 175.30 175.71 1r44 s ILE 40 N -3.89 4.99 0.05 1.52 -1.09 -1.26 -4.80 121.20 116.72 1r44 s ILE 40 Ca 0.06 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 1r44 s ILE 40 Cb 0.06 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1r44 s ILE 40 CO -0.10 0.29 0.09 -0.69 -1.23 0.00 0.00 174.94 173.29 1r44 s VAL 41 N 1.64 4.64 0.14 2.92 1.01 -1.26 -0.05 120.40 129.44 1r44 s VAL 41 Ca 0.07 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 1r44 s VAL 41 Cb -0.15 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1r44 s VAL 41 CO 0.08 0.20 0.89 -0.83 0.00 0.00 0.00 175.10 175.44 1r44 s GLY 42 N -2.19 -0.28 0.50 4.51 0.00 0.46 0.83 107.32 111.15 1r44 s GLY 42 Ca 0.28 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1r44 s GLY 42 CO 0.20 0.06 1.21 -1.59 0.00 0.00 0.00 173.10 172.98 1r44 s THR 43 N -3.38 2.84 0.55 0.90 2.01 0.43 0.43 115.64 119.43 1r44 s THR 43 Ca 0.10 0.61 0.23 0.00 0.31 0.00 0.00 61.69 62.94 1r44 s THR 43 Cb -0.02 -3.30 0.33 0.00 0.01 0.00 0.00 72.50 69.52 1r44 s THR 43 CO -0.00 -0.03 2.12 1.88 -0.69 0.00 0.00 174.62 177.91 1r44 h TYR 44 N 1.76 0.00 -0.01 4.92 0.05 -1.42 -0.71 116.97 121.56 1r44 h TYR 44 Ca -0.50 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.09 1r44 h TYR 44 Cb 1.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 1r44 h TYR 44 CO 0.51 0.00 -0.85 0.93 -1.05 0.00 0.00 178.16 177.70 1r44 h GLU 45 N 0.00 0.22 -0.06 4.88 3.07 -1.91 0.93 114.58 121.71 1r44 h GLU 45 Ca 0.07 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1r44 h GLU 45 Cb 0.32 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1r44 h GLU 45 CO -0.00 0.95 0.01 1.25 -1.40 0.00 0.00 179.01 179.82 1r44 h LEU 46 N 0.13 0.09 -0.29 1.33 5.85 -1.48 -1.94 115.31 119.00 1r44 h LEU 46 Ca -0.04 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1r44 h LEU 46 Cb 1.47 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1r44 h LEU 46 CO 0.13 0.31 0.10 0.00 -0.34 0.00 0.00 178.44 178.64 1r44 h ALA 47 N 0.78 0.33 -0.23 1.25 0.00 -1.11 0.44 119.26 120.72 1r44 h ALA 47 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1r44 h ALA 47 Cb 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1r44 h ALA 47 CO 0.00 -0.30 -0.18 0.93 0.00 0.00 0.00 179.25 179.70 1r44 h GLU 48 N 0.23 -0.17 -0.00 0.00 5.08 -0.75 0.11 114.58 119.08 1r44 h GLU 48 Ca 0.13 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1r44 h GLU 48 Cb 0.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1r44 h GLU 48 CO -0.13 -0.11 -0.67 0.77 -1.00 0.00 0.00 179.01 177.86 1r44 h SER 49 N -0.17 0.02 0.22 1.42 0.02 -1.00 -2.46 113.55 111.59 1r44 h SER 49 Ca 0.13 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1r44 h SER 49 Cb 0.38 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1r44 h SER 49 CO -0.34 0.68 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.67 1r44 h LEU 50 N 0.01 0.13 -0.68 5.07 3.38 0.29 -1.29 115.31 122.22 1r44 h LEU 50 Ca -0.01 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1r44 h LEU 50 Cb 1.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1r44 h LEU 50 CO 0.09 0.43 -0.10 0.25 0.09 0.00 0.00 178.44 179.20 1r44 h LEU 51 N 0.12 0.91 -0.69 1.67 5.85 -0.59 0.44 115.31 123.01 1r44 h LEU 51 Ca 0.02 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 1r44 h LEU 51 Cb 0.59 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1r44 h LEU 51 CO 0.04 1.03 -0.25 0.11 -0.34 0.00 0.00 178.44 179.03 1r44 h LYS 52 N 0.82 0.73 -0.53 1.25 1.57 -1.17 0.09 116.57 119.34 1r44 h LYS 52 Ca 0.13 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1r44 h LYS 52 Cb 0.63 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1r44 h LYS 52 CO 0.04 0.91 -0.06 0.00 -0.57 0.00 0.00 179.45 179.77 1r44 h ALA 53 N 1.08 0.89 0.11 3.86 0.00 -0.66 0.21 119.26 124.75 1r44 h ALA 53 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1r44 h ALA 53 Cb 0.76 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r44 h ALA 53 CO 0.06 0.64 -0.05 -0.22 0.00 0.00 0.00 179.25 179.68 1r44 h LYS 54 N 0.86 -0.14 -0.66 0.00 3.64 0.19 0.46 116.57 120.93 1r44 h LYS 54 Ca 0.15 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1r44 h LYS 54 Cb 0.59 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1r44 h LYS 54 CO 0.04 0.03 0.31 0.93 -2.27 0.00 0.00 179.45 178.49 1r44 h GLU 55 N -0.28 0.53 -0.02 1.90 5.08 -0.86 0.10 114.58 121.04 1r44 h GLU 55 Ca -0.01 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1r44 h GLU 55 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1r44 h GLU 55 CO 0.02 0.35 -0.80 1.25 -1.00 0.00 0.00 179.01 178.84 1r44 h LEU 56 N 0.55 0.29 -0.51 1.33 5.85 -0.43 -2.93 115.31 119.46 1r44 h LEU 56 Ca 0.32 -0.21 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 1r44 h LEU 56 Cb 0.32 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1r44 h LEU 56 CO -0.26 0.97 -0.70 0.00 -0.34 0.00 0.00 178.44 178.11 1r44 h ALA 57 N 1.02 0.72 -0.31 1.25 0.00 0.30 -3.27 119.26 118.97 1r44 h ALA 57 Ca -0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1r44 h ALA 57 Cb 1.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1r44 h ALA 57 CO 0.12 0.79 0.09 0.00 0.00 0.00 0.00 179.25 180.26 1r44 h ALA 58 N 1.10 0.41 0.00 0.00 0.00 -0.62 0.01 119.26 120.16 1r44 h ALA 58 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r44 h ALA 58 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1r44 h ALA 58 CO 0.11 0.05 0.06 0.25 0.00 0.00 0.00 179.25 179.72 1r44 n THR 59 N -4.68 1.04 0.60 0.00 -2.24 -1.12 0.16 114.28 108.04 1r44 n THR 59 Ca -0.02 0.72 0.11 0.00 -2.27 0.00 0.00 64.05 62.58 1r44 n THR 59 Cb 0.17 -1.72 0.14 0.00 -2.10 0.00 0.00 70.33 66.82 1r44 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r44 n GLN 60 N -2.14 2.14 -2.73 -0.78 6.02 -1.00 -4.99 117.38 113.89 1r44 n GLN 60 Ca -0.01 -1.95 -0.06 0.00 -0.01 0.00 0.00 57.00 54.97 1r44 n GLN 60 Cb 0.09 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 29.93 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 1.25 0.58 3.15 1.08 0.00 0.43 -5.01 105.19 106.66 1r44 n GLY 61 Ca 0.15 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.08 1.14 0.28 1.61 2.02 -0.04 -1.82 117.35 117.46 1r44 s TYR 62 Ca 0.13 -0.43 0.11 0.00 -0.37 0.00 0.00 57.07 56.51 1r44 s TYR 62 Cb -0.06 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1r44 s TYR 62 CO 0.17 0.04 -0.13 0.20 -1.57 0.00 0.00 175.55 174.26 1r44 s GLY 63 N -1.55 1.83 -0.12 0.71 0.00 0.14 -2.77 107.32 105.56 1r44 s GLY 63 Ca -0.02 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 42.81 1r44 s GLY 63 CO 0.02 -1.89 0.13 1.08 0.00 0.00 0.00 173.10 172.44 1r44 s LEU 64 N -3.57 4.35 -0.21 0.66 1.43 -1.26 -0.66 118.68 119.41 1r44 s LEU 64 Ca 0.31 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1r44 s LEU 64 Cb -0.05 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1r44 s LEU 64 CO 0.17 0.40 -0.15 -0.22 0.23 0.00 0.00 176.35 176.78 1r44 s LEU 65 N -0.98 2.69 -0.07 1.79 2.96 0.48 -1.88 118.68 123.67 1r44 s LEU 65 Ca 0.15 -0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 53.04 1r44 s LEU 65 Cb -0.12 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1r44 s LEU 65 CO 0.04 -0.07 0.32 -0.76 -1.32 0.00 0.00 176.35 174.56 1r44 s LEU 66 N 1.25 4.39 -0.07 -0.68 1.43 0.33 -1.01 118.68 124.32 1r44 s LEU 66 Ca 0.00 0.73 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1r44 s LEU 66 Cb -0.16 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.54 1r44 s LEU 66 CO -0.09 0.27 0.04 0.79 0.23 0.00 0.00 176.35 177.59 1r44 n TRP 67 N 2.38 0.00 -3.64 0.29 8.01 0.17 -0.98 117.44 123.67 1r44 n TRP 67 Ca -0.14 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 55.99 1r44 n TRP 67 Cb 0.53 -0.35 -0.07 0.00 -2.01 0.00 0.00 31.31 29.41 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 -3.80 -0.38 0.00 -0.99 2.15 -1.18 -2.99 116.67 109.47 1r44 s ASP 68 Ca -0.04 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.63 1r44 s ASP 68 Cb 0.03 0.86 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 1r44 s ASP 68 CO 0.31 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 1r44 n GLY 69 N 2.59 2.19 3.72 2.66 0.00 -1.26 0.74 105.19 115.83 1r44 n GLY 69 Ca -0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1r44 n GLY 69 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r44 n TYR 70 N 0.00 2.72 -3.96 1.61 9.36 0.24 -4.76 117.16 122.37 1r44 n TYR 70 Ca 0.00 0.11 -0.29 0.00 3.32 0.00 0.00 57.90 61.04 1r44 n TYR 70 Cb 0.00 -2.65 -0.17 0.00 -0.63 0.00 0.00 39.34 35.90 1r44 n TYR 70 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1r44 s ARG 71 N 0.79 1.90 0.59 2.98 3.52 -0.95 -4.66 118.95 123.12 1r44 s ARG 71 Ca 0.73 -0.48 -0.20 0.00 -0.13 0.00 0.00 55.73 55.65 1r44 s ARG 71 Cb -0.52 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1r44 s ARG 71 CO 0.36 -0.29 1.17 -2.30 -0.81 0.00 0.00 175.30 173.42 1r44 n PRO 72 N 4.83 1.20 -0.18 5.12 -0.02 -1.26 -3.30 135.00 141.39 1r44 n PRO 72 Ca -0.15 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1r44 n PRO 72 Cb 0.49 -2.37 0.42 0.00 -0.02 0.00 0.00 33.50 32.02 1r44 n PRO 72 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1r44 h LYS 73 N 0.81 0.57 0.00 -0.52 1.57 -1.61 -0.85 116.57 116.54 1r44 h LYS 73 Ca -0.50 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.19 1r44 h LYS 73 Cb 1.34 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1r44 h LYS 73 CO 0.53 0.38 -0.28 0.07 -0.57 0.00 0.00 179.45 179.59 1r44 h ARG 74 N 0.59 0.00 -0.31 3.15 0.11 -1.86 0.16 114.38 116.22 1r44 h ARG 74 Ca 0.35 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.40 1r44 h ARG 74 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1r44 h ARG 74 CO -0.13 0.28 0.09 0.00 0.10 0.00 0.00 179.97 180.31 1r44 h ALA 75 N 1.72 0.41 -0.65 0.08 0.00 -0.92 0.17 119.26 120.07 1r44 h ALA 75 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1r44 h ALA 75 Cb 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1r44 h ALA 75 CO 0.04 0.05 0.34 0.28 0.00 0.00 0.00 179.25 179.96 1r44 h VAL 76 N 0.34 1.21 -0.88 0.00 2.07 -0.86 -0.73 116.25 117.41 1r44 h VAL 76 Ca 0.10 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1r44 h VAL 76 Cb 0.26 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1r44 h VAL 76 CO -0.00 0.24 0.47 0.78 0.02 0.00 0.00 177.57 179.08 1r44 h ASN 77 N 0.89 1.11 -1.00 0.57 2.35 -0.49 -1.73 115.58 117.27 1r44 h ASN 77 Ca 0.23 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1r44 h ASN 77 Cb 0.07 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.10 1r44 h ASN 77 CO -0.03 0.90 0.66 0.00 -1.65 0.00 0.00 177.43 177.30 1r44 h PHE 79 N 1.33 0.99 -0.42 0.00 0.05 -0.75 -1.08 116.94 117.07 1r44 h PHE 79 Ca 0.37 -0.15 -0.04 0.00 3.82 0.00 0.00 57.97 61.97 1r44 h PHE 79 Cb -0.12 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.55 1r44 h PHE 79 CO -0.00 0.88 0.09 0.52 -0.18 0.00 0.00 178.31 179.62 1r44 h MET 80 N 0.81 0.68 -0.93 1.51 2.86 -0.43 -0.02 114.93 119.41 1r44 h MET 80 Ca 0.16 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1r44 h MET 80 Cb 0.44 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1r44 h MET 80 CO 0.02 0.70 0.62 1.96 1.06 0.00 0.00 176.91 181.26 1r44 h GLN 81 N 0.54 1.20 -0.59 1.72 1.08 -0.42 -2.07 115.11 116.58 1r44 h GLN 81 Ca 0.13 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1r44 h GLN 81 Cb 0.34 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1r44 h GLN 81 CO 0.00 0.80 0.08 2.35 -0.95 0.00 0.00 178.83 181.11 1r44 h TRP 82 N 1.24 1.05 0.00 2.96 7.01 -0.77 -2.38 115.95 125.06 1r44 h TRP 82 Ca 0.35 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 1r44 h TRP 82 Cb -0.10 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.67 1r44 h TRP 82 CO -0.01 0.91 -0.10 0.00 -2.79 0.00 0.00 178.44 176.45 1r44 h ALA 83 N 1.00 1.15 -0.00 2.65 0.00 -0.56 -1.55 119.26 121.95 1r44 h ALA 83 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r44 h ALA 83 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r44 h ALA 83 CO 0.01 0.13 -0.19 0.00 0.00 0.00 0.00 179.25 179.20 1r44 n ALA 84 N -2.21 2.89 -1.89 0.00 0.00 -0.82 -4.52 120.51 113.95 1r44 n ALA 84 Ca -0.01 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 1r44 n ALA 84 Cb 0.27 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.69 3.68 0.49 0.00 -1.52 -0.59 -5.04 119.66 114.00 1r44 s GLN 85 Ca 0.22 0.77 -0.23 0.00 -1.95 0.00 0.00 55.36 54.16 1r44 s GLN 85 Cb 0.19 -2.11 -0.07 0.00 -0.22 0.00 0.00 33.01 30.80 1r44 s GLN 85 CO 0.54 -0.48 1.31 -0.35 -0.25 0.00 0.00 175.29 176.06 1r44 n PRO 86 N -2.45 1.81 -2.24 2.91 -0.04 -1.26 -4.95 135.00 128.77 1r44 n PRO 86 Ca 0.06 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1r44 n PRO 86 Cb 0.54 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 1r44 n PRO 86 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1r44 s GLU 87 N -2.57 3.31 0.00 0.54 2.56 -1.26 -4.86 118.70 116.42 1r44 s GLU 87 Ca 0.67 0.87 0.24 0.00 0.00 0.00 0.00 54.97 56.75 1r44 s GLU 87 Cb -0.45 -4.14 0.75 0.00 2.00 0.00 0.00 34.13 32.29 1r44 s GLU 87 CO 0.53 -1.90 1.57 0.27 -0.56 0.00 0.00 175.26 175.17 1r44 n ASN 88 N 9.92 1.99 -0.48 -1.70 2.04 -1.26 -4.94 115.26 120.82 1r44 n ASN 88 Ca 0.17 -1.70 -0.05 0.00 -0.44 0.00 0.00 54.58 52.56 1r44 n ASN 88 Cb 0.49 -0.07 -0.02 0.00 -2.53 0.00 0.00 39.78 37.65 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 0.54 -4.16 -0.11 0.53 3.02 -1.26 -4.87 115.26 108.95 1r44 n ASN 89 Ca 0.17 0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.76 1r44 n ASN 89 Cb 0.41 -2.96 -0.01 0.00 -0.61 0.00 0.00 39.78 36.61 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 0.41 -2.48 3.41 5.85 -1.98 -3.30 115.31 117.23 1r44 h LEU 90 Ca -0.10 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1r44 h LEU 90 Cb 0.80 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1r44 h LEU 90 CO 0.15 0.32 0.00 0.35 -0.34 0.00 0.00 178.44 178.92 1r44 n THR 91 N -4.82 0.74 0.21 1.05 -2.24 -1.26 -4.81 114.28 103.14 1r44 n THR 91 Ca -0.00 -0.87 -0.15 0.00 -2.27 0.00 0.00 64.05 60.76 1r44 n THR 91 Cb 0.04 0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.51 -0.99 -0.78 3.64 -1.90 -1.69 116.57 114.33 1r44 h LYS 92 Ca 0.00 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.65 1r44 h LYS 92 Cb 0.37 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 32.19 1r44 h LYS 92 CO 0.00 -0.34 0.58 0.93 -2.27 0.00 0.00 179.45 178.35 1r44 h GLU 93 N -0.53 0.59 0.08 1.90 4.39 -1.86 0.24 114.58 119.39 1r44 h GLU 93 Ca -0.04 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.32 1r44 h GLU 93 Cb 0.43 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1r44 h GLU 93 CO 0.04 0.39 -1.63 0.77 -1.16 0.00 0.00 179.01 177.42 1r44 h SER 94 N 0.61 0.26 0.00 1.42 0.02 -1.90 -3.39 113.55 110.57 1r44 h SER 94 Ca 0.62 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1r44 h SER 94 Cb 1.14 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1r44 h SER 94 CO -0.46 1.38 -1.52 -1.22 -1.14 0.00 0.00 176.83 173.86 1r44 n TYR 95 N -3.34 0.00 -2.74 3.45 4.02 -0.64 -4.78 117.16 113.12 1r44 n TYR 95 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.62 1r44 n TYR 95 Cb 1.04 -0.32 0.08 0.00 -0.02 0.00 0.00 39.34 40.12 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 -2.05 -2.94 -1.21 -0.72 0.18 0.75 -3.83 117.16 107.33 1r44 n TYR 96 Ca -0.07 -2.07 -0.30 0.00 1.88 0.00 0.00 57.90 57.33 1r44 n TYR 96 Cb 0.49 1.60 0.13 0.00 -0.38 0.00 0.00 39.34 41.18 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 0.33 1.51 0.00 -3.48 0.04 -0.58 -3.70 135.00 129.13 1r44 s PRO 97 Ca 0.24 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1r44 s PRO 97 Cb 0.28 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1r44 s PRO 97 CO -0.09 -2.09 0.00 0.09 0.04 0.00 0.00 177.00 174.95 1r44 n ASN 98 N -3.79 0.00 -4.54 6.66 3.02 -1.26 -4.90 115.26 110.45 1r44 n ASN 98 Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.38 1r44 n ASN 98 Cb 0.55 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.26 2.92 0.25 2.41 1.01 -1.24 -5.14 121.20 121.15 1r44 s ILE 99 Ca 0.00 -1.99 0.08 0.00 0.00 0.00 0.00 60.65 58.74 1r44 s ILE 99 Cb 0.00 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1r44 s ILE 99 CO 0.00 -0.26 0.10 -0.62 0.00 0.00 0.00 174.94 174.16 1r44 s ASP 100 N -3.21 5.07 0.00 3.58 -1.08 -1.26 -4.92 116.67 114.85 1r44 s ASP 100 Ca 0.27 -0.42 -0.21 0.00 -0.52 0.00 0.00 52.55 51.67 1r44 s ASP 100 Cb -0.07 -1.15 -0.19 0.00 -1.46 0.00 0.00 42.92 40.05 1r44 s ASP 100 CO 0.15 -0.01 1.19 -0.09 0.52 0.00 0.00 175.17 176.93 1r44 h ARG 101 N 1.76 0.32 -0.52 4.34 2.43 -1.94 -2.83 114.38 117.94 1r44 h ARG 101 Ca -0.47 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 58.52 1r44 h ARG 101 Cb 1.24 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 1r44 h ARG 101 CO 0.60 0.89 0.35 1.15 -1.51 0.00 0.00 179.97 181.46 1r44 h THR 102 N -0.17 0.97 0.00 0.20 2.02 -1.96 0.29 112.91 114.25 1r44 h THR 102 Ca -0.02 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1r44 h THR 102 Cb 0.94 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1r44 h THR 102 CO 0.06 0.08 0.00 -0.62 0.37 0.00 0.00 175.52 175.41 1r44 n GLU 103 N -4.47 0.67 -0.08 6.66 1.02 -1.07 -3.01 120.64 120.36 1r44 n GLU 103 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1r44 n GLU 103 Cb 0.26 -1.33 -0.15 0.00 -0.02 0.00 0.00 31.44 30.20 1r44 n GLU 103 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1r44 n MET 104 N 0.18 0.67 -2.74 3.49 2.81 0.09 -4.11 117.12 117.52 1r44 n MET 104 Ca 0.00 0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.56 1r44 n MET 104 Cb 0.17 -1.60 -0.02 0.00 -0.71 0.00 0.00 33.22 31.06 1r44 n MET 104 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1r44 s ILE 105 N -2.52 4.37 0.00 2.02 -0.00 -1.16 -4.16 121.20 119.74 1r44 s ILE 105 Ca -0.11 -1.44 0.00 0.00 -0.00 0.00 0.00 60.65 59.10 1r44 s ILE 105 Cb 0.07 -4.96 0.00 0.00 -0.00 0.00 0.00 42.46 37.56 1r44 s ILE 105 CO 0.81 -1.76 0.00 -0.24 -0.00 0.00 0.00 174.94 173.75 1r44 n SER 106 N 7.60 0.00 -0.77 4.36 2.88 -1.26 -5.04 113.62 121.39 1r44 n SER 106 Ca 0.33 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1r44 n SER 106 Cb 0.49 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.24 1r44 n SER 106 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1r44 n LYS 107 N 0.00 2.05 -0.74 -1.46 3.00 -1.26 -4.98 118.16 114.78 1r44 n LYS 107 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 1r44 n LYS 107 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.56 1r44 n LYS 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1r44 n GLY 108 N 1.28 0.60 0.13 3.14 0.00 -1.26 -4.97 105.19 104.11 1r44 n GLY 108 Ca 0.17 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1r44 n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r44 n TYR 109 N -2.74 0.80 0.15 1.61 4.02 -1.26 -4.65 117.16 115.10 1r44 n TYR 109 Ca 0.00 0.20 -0.07 0.00 -0.01 0.00 0.00 57.90 58.03 1r44 n TYR 109 Cb 0.00 -1.10 -0.03 0.00 -0.02 0.00 0.00 39.34 38.19 1r44 n TYR 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1r44 h VAL 110 N -0.21 0.00 -4.59 -0.72 3.04 -1.94 -3.51 116.25 108.33 1r44 h VAL 110 Ca -0.48 -0.29 0.01 0.00 -1.01 0.00 0.00 66.70 64.93 1r44 h VAL 110 Cb 1.85 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 31.04 1r44 h VAL 110 CO -0.05 0.00 -1.23 0.00 -1.01 0.00 0.00 177.57 175.28 1r44 n ALA 111 N -2.44 -3.22 0.26 3.17 0.00 -1.26 -4.93 120.51 112.09 1r44 n ALA 111 Ca -0.05 1.65 0.14 0.00 0.00 0.00 0.00 53.44 55.17 1r44 n ALA 111 Cb 0.17 -3.35 0.82 0.00 0.00 0.00 0.00 19.45 17.09 1r44 n ALA 111 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r44 h SER 112 N 3.54 0.00 -3.37 0.00 0.87 -1.96 -3.38 113.55 109.24 1r44 h SER 112 Ca -0.36 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.65 1r44 h SER 112 Cb 0.81 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.43 1r44 h SER 112 CO 0.01 0.00 -0.83 -0.75 -0.53 0.00 0.00 176.83 174.73 1r44 s LYS 113 N -4.77 1.95 -0.03 2.24 2.20 -1.26 -4.84 119.74 115.24 1r44 s LYS 113 Ca -0.05 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1r44 s LYS 113 Cb 0.16 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 1r44 s LYS 113 CO 0.59 0.02 -0.25 0.45 -0.36 0.00 0.00 175.35 175.80 1r44 s SER 114 N 0.71 3.14 0.66 1.43 0.15 -1.26 -4.99 113.70 113.54 1r44 s SER 114 Ca -0.13 -0.45 0.41 0.00 0.70 0.00 0.00 55.95 56.48 1r44 s SER 114 Cb -0.16 -0.44 2.27 0.00 -1.71 0.00 0.00 66.02 65.98 1r44 s SER 114 CO 0.03 0.31 2.31 0.77 1.20 0.00 0.00 173.24 177.87 1r44 h SER 115 N 5.55 0.00 -0.04 5.45 4.64 -1.98 -2.27 113.55 124.89 1r44 h SER 115 Ca -0.42 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 1r44 h SER 115 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1r44 h SER 115 CO 0.47 0.00 -0.17 0.45 -0.87 0.00 0.00 176.83 176.71 1r44 h HIS 116 N 0.00 0.43 0.00 4.77 3.86 -1.89 -2.27 115.15 120.05 1r44 h HIS 116 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1r44 h HIS 116 Cb 0.08 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1r44 h HIS 116 CO 0.00 0.56 0.00 0.77 0.86 0.00 0.00 177.93 180.12 1r44 h SER 117 N 0.37 0.00 0.87 2.45 0.02 -1.39 -1.40 113.55 114.45 1r44 h SER 117 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1r44 h SER 117 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1r44 h SER 117 CO 0.03 0.00 -0.30 0.54 -1.14 0.00 0.00 176.83 175.96 1r44 n ARG 118 N -2.35 0.09 -0.45 3.45 1.74 -0.85 -0.49 116.66 117.80 1r44 n ARG 118 Ca 0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1r44 n ARG 118 Cb 0.20 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.44 0.73 0.05 -0.13 0.00 -0.57 -4.63 105.19 102.08 1r44 n GLY 119 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 2.12 -4.76 1.61 7.64 -1.26 -0.42 113.62 118.54 1r44 n SER 120 Ca 0.00 -2.58 -0.31 0.00 1.01 0.00 0.00 58.87 56.99 1r44 n SER 120 Cb 0.00 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.99 3.53 -0.02 -0.43 0.00 -1.26 -1.19 121.76 120.40 1r44 s ALA 121 Ca 0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1r44 s ALA 121 Cb 0.15 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1r44 s ALA 121 CO 0.02 0.73 0.09 -1.50 0.00 0.00 0.00 175.76 175.09 1r44 s ILE 122 N -1.32 0.03 -0.18 0.00 1.10 0.13 -4.21 121.20 116.75 1r44 s ILE 122 Ca 0.27 -0.24 -0.03 0.00 -0.51 0.00 0.00 60.65 60.13 1r44 s ILE 122 Cb -0.12 -0.21 -0.02 0.00 0.15 0.00 0.00 42.46 42.26 1r44 s ILE 122 CO 0.19 -0.13 -0.05 -1.81 -2.11 0.00 0.00 174.94 171.02 1r44 s ASP 123 N -0.41 4.47 0.18 4.50 1.01 0.23 -1.76 116.67 124.89 1r44 s ASP 123 Ca -0.05 -0.27 -0.22 0.00 0.71 0.00 0.00 52.55 52.72 1r44 s ASP 123 Cb -0.03 -1.74 0.06 0.00 1.01 0.00 0.00 42.92 42.22 1r44 s ASP 123 CO 0.00 0.09 0.62 -1.48 0.21 0.00 0.00 175.17 174.61 1r44 s LEU 124 N 0.80 -0.46 0.00 1.23 2.34 -0.86 0.42 118.68 122.16 1r44 s LEU 124 Ca -0.02 -0.15 0.01 0.00 0.06 0.00 0.00 54.13 54.03 1r44 s LEU 124 Cb -0.15 2.59 -0.00 0.00 -0.56 0.00 0.00 46.19 48.07 1r44 s LEU 124 CO 0.02 -1.04 0.03 0.41 -1.06 0.00 0.00 176.35 174.70 1r44 n THR 125 N -0.39 0.00 -4.37 5.48 -1.04 -0.18 -4.59 114.28 109.18 1r44 n THR 125 Ca -0.14 -0.94 -0.30 0.00 -2.04 0.00 0.00 64.05 60.63 1r44 n THR 125 Cb 0.64 0.27 -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 2.88 0.23 -4.42 1.43 -1.26 -0.39 118.68 117.16 1r44 s LEU 126 Ca 0.04 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1r44 s LEU 126 Cb 0.00 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1r44 s LEU 126 CO 0.03 0.21 -0.15 -0.72 0.23 0.00 0.00 176.35 175.94 1r44 s TYR 127 N -1.11 1.90 0.06 0.29 -0.85 0.17 -2.12 117.35 115.70 1r44 s TYR 127 Ca 0.19 -0.51 -0.31 0.00 -0.52 0.00 0.00 57.07 55.92 1r44 s TYR 127 Cb -0.11 -0.88 -0.06 0.00 0.38 0.00 0.00 41.96 41.29 1r44 s TYR 127 CO 0.10 0.46 1.22 1.03 -1.52 0.00 0.00 175.55 176.84 1r44 s ARG 128 N -3.61 4.41 0.15 -3.49 1.81 0.12 -0.69 118.95 117.66 1r44 s ARG 128 Ca 0.25 1.80 -0.07 0.00 -1.72 0.00 0.00 55.73 55.99 1r44 s ARG 128 Cb -0.02 -3.36 -0.02 0.00 -0.45 0.00 0.00 34.95 31.11 1r44 s ARG 128 CO 0.10 -0.29 1.40 1.25 -0.68 0.00 0.00 175.30 177.08 1r44 h LEU 129 N 6.92 0.72 -0.06 2.53 5.85 -1.67 -0.10 115.31 129.49 1r44 h LEU 129 Ca -0.41 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 57.84 1r44 h LEU 129 Cb 1.21 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1r44 h LEU 129 CO 0.82 1.20 -0.05 -2.24 -0.34 0.00 0.00 178.44 177.83 1r44 h ASP 130 N 0.44 0.16 0.88 1.25 -0.00 -1.92 -3.32 116.42 113.90 1r44 h ASP 130 Ca -0.03 -0.47 -0.16 0.00 -0.00 0.00 0.00 57.03 56.38 1r44 h ASP 130 Cb 1.28 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 40.54 1r44 h ASP 130 CO 0.13 0.59 -1.21 0.74 -0.00 0.00 0.00 179.24 179.49 1r44 h THR 131 N -0.27 0.66 0.00 1.15 2.02 -1.95 -3.47 112.91 111.04 1r44 h THR 131 Ca 0.01 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1r44 h THR 131 Cb 0.54 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1r44 h THR 131 CO 0.01 0.38 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1r44 n GLY 132 N 1.37 0.72 3.90 2.16 0.00 -0.05 -5.02 105.19 108.26 1r44 n GLY 132 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.27 3.65 0.25 1.61 2.02 -1.24 -4.74 118.70 119.98 1r44 s GLU 133 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.87 1r44 s GLU 133 Cb 0.00 -2.50 -0.10 0.00 0.10 0.00 0.00 34.13 31.63 1r44 s GLU 133 CO 0.00 0.03 1.40 -0.51 0.02 0.00 0.00 175.26 176.20 1r44 s LEU 134 N -3.98 4.40 -0.10 1.80 1.43 -1.26 0.13 118.68 121.09 1r44 s LEU 134 Ca 0.47 2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.88 1r44 s LEU 134 Cb -0.10 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1r44 s LEU 134 CO 0.34 -0.64 1.32 -0.69 0.23 0.00 0.00 176.35 176.91 1r44 s VAL 135 N -0.09 4.10 0.08 -1.59 1.01 -0.90 -4.79 120.40 118.22 1r44 s VAL 135 Ca 0.58 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.63 1r44 s VAL 135 Cb -0.40 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 1r44 s VAL 135 CO 0.43 -0.08 1.41 -2.16 0.00 0.00 0.00 175.10 174.70 1r44 s PRO 136 N 3.14 4.30 0.00 2.72 0.04 -1.26 -4.82 135.00 139.13 1r44 s PRO 136 Ca 0.59 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.70 1r44 s PRO 136 Cb -0.25 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 1r44 s PRO 136 CO 0.20 -0.49 0.28 -1.33 0.04 0.00 0.00 177.00 175.70 1r44 n MET 137 N 4.48 3.35 0.00 4.56 2.81 -1.26 -4.33 117.12 126.73 1r44 n MET 137 Ca 0.12 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1r44 n MET 137 Cb 0.43 -0.78 0.00 0.00 -0.71 0.00 0.00 33.22 32.16 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 0.64 3.06 3.17 3.03 0.00 -1.26 -4.79 105.19 109.04 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 0.10 0.15 0.61 1.61 1.04 -1.26 -5.01 113.70 110.94 1r44 s SER 139 Ca 0.00 -0.61 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 1r44 s SER 139 Cb 0.00 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 1r44 s SER 139 CO 0.00 -0.64 0.97 -0.60 0.98 0.00 0.00 173.24 173.95 1r44 s ARG 140 N -3.39 3.21 0.24 4.02 3.52 -1.26 -4.98 118.95 120.31 1r44 s ARG 140 Ca 0.01 0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 55.68 1r44 s ARG 140 Cb 0.03 -2.17 -0.13 0.00 -1.56 0.00 0.00 34.95 31.12 1r44 s ARG 140 CO -0.08 -0.67 1.45 0.34 -0.81 0.00 0.00 175.30 175.53 1r44 n PHE 141 N -2.69 2.29 -2.73 5.12 7.35 -1.26 -1.82 117.46 123.72 1r44 n PHE 141 Ca 0.05 0.39 -0.21 0.00 -0.76 0.00 0.00 57.45 56.92 1r44 n PHE 141 Cb 0.56 -2.49 0.02 0.00 0.35 0.00 0.00 39.48 37.92 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 2.24 -5.95 0.19 -2.13 8.00 -1.26 -4.94 116.55 112.70 1r44 n ASP 142 Ca 0.11 -0.17 0.04 0.00 0.71 0.00 0.00 54.79 55.49 1r44 n ASP 142 Cb 0.32 -4.85 0.37 0.00 -0.02 0.00 0.00 41.12 36.94 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 -0.77 0.00 -5.07 1.24 3.57 -1.57 -3.44 116.94 110.90 1r44 h PHE 143 Ca -0.51 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 60.72 1r44 h PHE 143 Cb 1.36 0.00 0.14 0.00 2.79 0.00 0.00 35.95 40.24 1r44 h PHE 143 CO 0.53 0.38 -0.65 -1.33 -2.23 0.00 0.00 178.31 175.01 1r44 n MET 144 N -3.79 -5.40 -3.65 1.11 2.81 -1.25 -4.08 117.12 102.86 1r44 n MET 144 Ca -0.01 0.72 -0.10 0.00 -1.81 0.00 0.00 57.70 56.49 1r44 n MET 144 Cb 0.45 -5.33 -0.04 0.00 -0.71 0.00 0.00 33.22 27.60 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 -4.11 -0.29 0.39 7.83 2.15 -1.26 -4.72 116.67 116.66 1r44 s ASP 145 Ca 0.02 -0.35 0.27 0.00 0.43 0.00 0.00 52.55 52.92 1r44 s ASP 145 Cb -0.00 0.54 1.36 0.00 -0.30 0.00 0.00 42.92 44.52 1r44 s ASP 145 CO 0.61 -0.96 1.82 -0.33 -0.17 0.00 0.00 175.17 176.15 1r44 h GLU 146 N 2.24 0.00 -0.11 4.34 5.08 -1.93 -1.50 114.58 122.70 1r44 h GLU 146 Ca -0.32 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1r44 h GLU 146 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1r44 h GLU 146 CO 0.42 0.00 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.07 1r44 h ARG 147 N 0.00 0.19 0.00 2.33 9.65 -1.94 -2.67 114.38 121.94 1r44 h ARG 147 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1r44 h ARG 147 Cb 0.13 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1r44 h ARG 147 CO 0.00 0.45 0.00 0.43 2.80 0.00 0.00 179.97 183.65 1r44 n SER 148 N -4.17 0.26 -4.76 -3.80 7.64 -0.56 -4.77 113.62 103.46 1r44 n SER 148 Ca -0.01 0.54 -0.39 0.00 1.01 0.00 0.00 58.87 60.02 1r44 n SER 148 Cb 0.36 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 62.98 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 -3.06 2.48 0.18 1.43 3.76 -1.01 -1.34 115.29 117.73 1r44 s HIS 149 Ca 0.10 1.36 -0.14 0.00 -0.15 0.00 0.00 55.06 56.24 1r44 s HIS 149 Cb 0.14 -3.77 0.11 0.00 1.11 0.00 0.00 32.58 30.16 1r44 s HIS 149 CO 0.46 -2.65 1.81 0.45 -0.85 0.00 0.00 174.74 173.96 1r44 h HIS 150 N 1.97 0.55 0.00 1.40 3.86 -0.60 -2.71 115.15 119.63 1r44 h HIS 150 Ca -0.51 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1r44 h HIS 150 Cb 1.28 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1r44 h HIS 150 CO 0.49 0.30 0.00 0.00 0.86 0.00 0.00 177.93 179.58 1r44 n ALA 151 N -2.29 2.61 -1.72 2.45 0.00 -1.26 -4.93 120.51 115.38 1r44 n ALA 151 Ca 0.04 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 1r44 n ALA 151 Cb 0.09 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.89 1.46 -2.70 0.00 0.00 -1.02 -5.04 120.51 112.31 1r44 n ALA 152 Ca 0.18 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 1r44 n ALA 152 Cb 0.08 -2.30 -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 -0.62 5.50 0.00 0.00 4.22 -1.26 -4.53 114.94 118.25 1r44 s ASN 153 Ca 0.64 -0.32 0.00 0.00 -2.14 0.00 0.00 52.86 51.04 1r44 s ASN 153 Cb -0.47 -1.27 0.00 0.00 1.28 0.00 0.00 41.25 40.79 1r44 s ASN 153 CO 0.56 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 176.06 1r44 n GLY 154 N -1.28 0.73 3.15 0.45 0.00 -1.26 -4.86 105.19 102.12 1r44 n GLY 154 Ca -0.05 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 1.37 1.18 -0.61 1.09 -1.26 -5.10 121.20 115.87 1r44 s ILE 155 Ca 0.00 -0.72 -0.15 0.00 -1.10 0.00 0.00 60.65 58.68 1r44 s ILE 155 Cb 0.00 -1.16 0.28 0.00 -1.06 0.00 0.00 42.46 40.53 1r44 s ILE 155 CO 0.00 0.39 1.03 -0.94 -0.10 0.00 0.00 174.94 175.32 1r44 s SER 156 N -0.23 0.92 0.25 3.58 1.04 -1.26 -4.74 113.70 113.26 1r44 s SER 156 Ca 0.03 1.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.68 1r44 s SER 156 Cb -0.08 -1.91 0.31 0.00 0.10 0.00 0.00 66.02 64.44 1r44 s SER 156 CO 0.00 -4.20 1.72 0.00 0.98 0.00 0.00 173.24 171.75 1r44 h ASN 158 N 0.67 -0.03 -0.53 0.00 2.35 -1.96 -1.09 115.58 114.99 1r44 h ASN 158 Ca 0.12 -0.39 0.05 0.00 -0.55 0.00 0.00 56.30 55.54 1r44 h ASN 158 Cb 0.56 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 1r44 h ASN 158 CO 0.03 0.38 0.25 -0.33 -1.65 0.00 0.00 177.43 176.11 1r44 h GLU 159 N -0.43 0.47 -0.52 0.81 5.08 -1.73 0.48 114.58 118.74 1r44 h GLU 159 Ca -0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1r44 h GLU 159 Cb 0.41 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1r44 h GLU 159 CO 0.01 0.31 0.01 0.00 -1.00 0.00 0.00 179.01 178.34 1r44 h ALA 160 N 1.30 1.04 -0.38 3.43 0.00 -1.13 -1.54 119.26 121.98 1r44 h ALA 160 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1r44 h ALA 160 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r44 h ALA 160 CO -0.18 0.60 -0.20 0.37 0.00 0.00 0.00 179.25 179.84 1r44 h GLN 161 N 0.81 0.74 -0.42 0.00 4.15 -0.32 -2.16 115.11 117.92 1r44 h GLN 161 Ca 0.16 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 1r44 h GLN 161 Cb 0.47 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1r44 h GLN 161 CO 0.02 0.88 -0.06 -0.91 -1.93 0.00 0.00 178.83 176.83 1r44 h ASN 162 N 0.65 0.77 -0.54 -0.69 2.35 0.51 -1.09 115.58 117.54 1r44 h ASN 162 Ca 0.10 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1r44 h ASN 162 Cb 0.69 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1r44 h ASN 162 CO 0.05 0.93 0.27 0.03 -1.65 0.00 0.00 177.43 177.06 1r44 h ARG 163 N 0.60 0.81 -0.46 0.81 3.08 -1.18 -0.55 114.38 117.48 1r44 h ARG 163 Ca 0.11 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1r44 h ARG 163 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1r44 h ARG 163 CO 0.03 0.63 0.01 0.00 -1.07 0.00 0.00 179.97 179.57 1r44 h ARG 164 N 0.81 0.75 -0.10 0.04 3.08 -1.06 -0.50 114.38 117.41 1r44 h ARG 164 Ca 0.20 -0.19 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 1r44 h ARG 164 Cb 0.09 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1r44 h ARG 164 CO -0.03 0.76 -0.76 0.00 -1.07 0.00 0.00 179.97 178.87 1r44 h ARG 165 N 0.71 0.55 0.25 0.04 3.08 -0.09 -0.04 114.38 118.88 1r44 h ARG 165 Ca 0.14 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1r44 h ARG 165 Cb 0.42 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1r44 h ARG 165 CO 0.02 1.08 -0.12 1.25 -1.07 0.00 0.00 179.97 181.13 1r44 h LEU 166 N 0.37 -0.28 -0.55 3.04 6.46 -0.97 -1.67 115.31 121.71 1r44 h LEU 166 Ca -0.04 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1r44 h LEU 166 Cb 1.36 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.30 1r44 h LEU 166 CO 0.14 -0.10 0.19 -0.09 -0.62 0.00 0.00 178.44 177.96 1r44 h ARG 167 N -0.45 0.36 -0.65 1.25 2.43 -0.99 -0.88 114.38 115.44 1r44 h ARG 167 Ca -0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1r44 h ARG 167 Cb 0.34 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1r44 h ARG 167 CO 0.06 0.24 0.28 1.03 -1.51 0.00 0.00 179.97 180.06 1r44 h SER 168 N 0.37 0.88 -0.84 -3.80 0.87 -0.95 0.27 113.55 110.35 1r44 h SER 168 Ca 0.27 -0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1r44 h SER 168 Cb 0.31 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1r44 h SER 168 CO -0.28 0.80 0.55 0.40 -0.53 0.00 0.00 176.83 177.77 1r44 h ILE 169 N 0.91 1.19 -0.04 2.23 2.04 -0.49 -0.13 117.51 123.22 1r44 h ILE 169 Ca 0.22 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1r44 h ILE 169 Cb 0.17 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1r44 h ILE 169 CO -0.02 0.20 -0.08 0.24 0.00 0.00 0.00 178.15 178.49 1r44 h MET 170 N 1.11 0.13 -0.76 2.37 2.86 -0.82 -2.81 114.93 117.01 1r44 h MET 170 Ca 0.32 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1r44 h MET 170 Cb -0.09 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1r44 h MET 170 CO -0.08 0.67 0.49 0.93 1.06 0.00 0.00 176.91 179.97 1r44 h GLU 171 N -0.39 1.01 0.00 1.72 5.08 -0.40 -0.50 114.58 121.10 1r44 h GLU 171 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1r44 h GLU 171 Cb 0.66 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1r44 h GLU 171 CO 0.02 0.68 0.00 0.09 -1.00 0.00 0.00 179.01 178.80 1r44 n ASN 172 N -4.54 0.00 -0.06 1.42 3.02 -0.07 -2.96 115.26 112.07 1r44 n ASN 172 Ca 0.07 -0.16 0.03 0.00 -0.03 0.00 0.00 54.58 54.49 1r44 n ASN 172 Cb 0.03 -0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.14 2.15 0.00 6.41 7.64 -0.32 -4.97 113.62 123.40 1r44 n SER 173 Ca 0.08 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1r44 n SER 173 Cb 0.07 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.69 1.01 3.72 0.23 0.00 -1.06 -4.76 105.19 103.64 1r44 n GLY 174 Ca 0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 2.71 -0.08 1.61 0.40 -0.45 -0.72 117.98 119.45 1r44 s PHE 175 Ca 0.00 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1r44 s PHE 175 Cb 0.00 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.95 1r44 s PHE 175 CO 0.00 0.38 -0.21 -2.00 0.70 0.00 0.00 175.22 174.09 1r44 s GLU 176 N -3.82 2.62 0.65 0.44 2.56 0.14 -4.00 118.70 117.28 1r44 s GLU 176 Ca 0.37 -0.77 -0.11 0.00 0.00 0.00 0.00 54.97 54.46 1r44 s GLU 176 Cb -0.03 -2.05 0.15 0.00 2.00 0.00 0.00 34.13 34.20 1r44 s GLU 176 CO 0.22 0.18 0.82 0.00 -0.56 0.00 0.00 175.26 175.92 1r44 n ALA 177 N 3.47 -1.19 -3.71 6.30 0.00 -1.26 -1.28 120.51 122.85 1r44 n ALA 177 Ca -0.19 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.02 1r44 n ALA 177 Cb 0.53 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.75 -0.27 0.34 0.00 5.04 -1.21 -4.81 117.35 113.69 1r44 s TYR 178 Ca 0.47 0.70 0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1r44 s TYR 178 Cb -0.02 -0.08 0.61 0.00 0.35 0.00 0.00 41.96 42.83 1r44 s TYR 178 CO 0.34 -0.25 1.97 0.66 -1.34 0.00 0.00 175.55 176.93 1r44 h SER 179 N 7.70 0.78 1.40 4.32 4.64 -1.98 -2.95 113.55 127.46 1r44 h SER 179 Ca -0.30 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 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 0.29 0.54 0.00 -0.07 -0.87 0.00 0.00 176.83 176.71 1r44 h LEU 180 N 0.91 0.00 -6.95 5.97 3.38 -1.94 0.33 115.31 117.01 1r44 h LEU 180 Ca 0.30 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.86 1r44 h LEU 180 Cb 0.06 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.42 1r44 h LEU 180 CO -0.09 0.00 -0.71 -1.61 0.09 0.00 0.00 178.44 176.13 1r44 s GLU 181 N -3.15 0.11 0.49 1.13 2.02 -1.11 -3.07 118.70 115.11 1r44 s GLU 181 Ca 0.09 0.02 0.33 0.00 0.02 0.00 0.00 54.97 55.43 1r44 s GLU 181 Cb 0.11 -1.59 1.69 0.00 0.10 0.00 0.00 34.13 34.44 1r44 s GLU 181 CO 0.57 -0.67 2.00 0.11 0.02 0.00 0.00 175.26 177.29 1r44 h TRP 182 N 8.38 0.00 0.00 1.61 5.08 -1.40 -2.69 115.95 126.93 1r44 h TRP 182 Ca -0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.81 1r44 h TRP 182 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 1r44 h TRP 182 CO 0.15 0.00 -0.89 -2.67 -1.28 0.00 0.00 178.44 173.75 1r44 n TRP 183 N -2.70 0.38 -3.11 0.12 2.14 -1.26 -4.83 117.44 108.19 1r44 n TRP 183 Ca -0.01 0.11 -0.39 0.00 2.07 0.00 0.00 57.50 59.27 1r44 n TRP 183 Cb 0.11 -0.53 -0.05 0.00 -0.81 0.00 0.00 31.31 30.03 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 -3.19 3.57 -0.04 -2.67 2.46 -1.01 -2.02 115.29 112.39 1r44 s HIS 184 Ca 0.04 1.18 -0.03 0.00 0.47 0.00 0.00 55.06 56.72 1r44 s HIS 184 Cb 0.14 -2.74 0.01 0.00 -0.13 0.00 0.00 32.58 29.86 1r44 s HIS 184 CO 0.77 0.12 0.10 0.71 -2.47 0.00 0.00 174.74 173.97 1r44 s TYR 185 N 0.71 -0.11 0.06 3.88 1.51 -0.72 -3.33 117.35 119.36 1r44 s TYR 185 Ca 0.35 0.28 0.08 0.00 -1.01 0.00 0.00 57.07 56.77 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 0.17 -0.06 -0.23 0.08 -1.11 0.00 0.00 175.55 174.39 1r44 s VAL 186 N 0.16 1.88 0.17 0.71 1.01 -0.40 -0.69 120.40 123.24 1r44 s VAL 186 Ca -0.01 -1.37 -0.31 0.00 0.00 0.00 0.00 61.98 60.30 1r44 s VAL 186 Cb -0.02 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1r44 s VAL 186 CO -0.00 0.20 1.37 -0.22 0.00 0.00 0.00 175.10 176.45 1r44 s LEU 187 N -1.40 4.39 0.07 3.92 2.96 -0.33 0.25 118.68 128.55 1r44 s LEU 187 Ca 0.09 2.41 -0.23 0.00 -0.22 0.00 0.00 54.13 56.18 1r44 s LEU 187 Cb -0.09 -3.60 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 1r44 s LEU 187 CO 0.03 -0.61 1.67 -0.09 -1.32 0.00 0.00 176.35 176.03 1r44 h ARG 188 N 5.92 0.01 -3.54 1.98 2.43 -1.22 -3.32 114.38 116.64 1r44 h ARG 188 Ca -0.44 -0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.08 1r44 h ARG 188 Cb 1.21 -0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.36 1r44 h ARG 188 CO 0.81 0.08 -0.62 -0.51 -1.51 0.00 0.00 179.97 178.22 1r44 s ASP 189 N -5.27 4.44 0.14 -3.80 1.01 -1.26 -5.04 116.67 106.88 1r44 s ASP 189 Ca -0.13 -2.91 -0.13 0.00 0.71 0.00 0.00 52.55 50.09 1r44 s ASP 189 Cb 0.05 -1.66 -0.07 0.00 1.01 0.00 0.00 42.92 42.26 1r44 s ASP 189 CO 0.66 -0.26 0.51 -1.83 0.21 0.00 0.00 175.17 174.46 1r44 s GLU 190 N -0.15 3.90 0.48 8.23 -1.05 -1.25 -4.99 118.70 123.87 1r44 s GLU 190 Ca 0.16 0.38 0.13 0.00 -0.15 0.00 0.00 54.97 55.50 1r44 s GLU 190 Cb -0.25 -2.92 1.13 0.00 -0.44 0.00 0.00 34.13 31.66 1r44 s GLU 190 CO -0.01 0.48 2.11 -1.00 0.95 0.00 0.00 175.26 177.79 1r44 h PRO 191 N 3.48 0.14 -2.06 -4.83 0.13 -1.95 -3.34 132.00 123.57 1r44 h PRO 191 Ca -0.48 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1r44 h PRO 191 Cb 1.19 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 1r44 h PRO 191 CO 0.66 0.11 -0.98 0.66 -0.23 0.00 0.00 178.00 178.23 1r44 n TYR 192 N -4.50 0.79 -1.25 1.56 4.02 -1.26 -5.07 117.16 111.46 1r44 n TYR 192 Ca -0.01 -3.74 -0.30 0.00 -0.01 0.00 0.00 57.90 53.83 1r44 n TYR 192 Cb 0.10 -0.41 0.12 0.00 -0.02 0.00 0.00 39.34 39.13 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 -1.69 1.63 0.00 -0.72 0.04 -1.26 -3.10 135.00 129.90 1r44 s PRO 193 Ca 0.37 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1r44 s PRO 193 Cb 0.19 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1r44 s PRO 193 CO -0.08 -2.01 0.00 0.09 0.04 0.00 0.00 177.00 175.04 1r44 n ASN 194 N -3.74 0.00 -4.30 6.66 3.02 -1.26 -4.92 115.26 110.72 1r44 n ASN 194 Ca 0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.27 1r44 n ASN 194 Cb 0.55 -1.76 -0.13 0.00 -0.61 0.00 0.00 39.78 37.82 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 -2.17 4.75 -0.37 6.41 0.01 -1.18 -5.07 113.70 116.08 1r44 s SER 195 Ca 0.00 -0.68 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 1r44 s SER 195 Cb 0.00 -1.79 0.09 0.00 0.21 0.00 0.00 66.02 64.53 1r44 s SER 195 CO 0.00 -0.14 0.13 -0.31 0.41 0.00 0.00 173.24 173.34 1r44 s TYR 196 N 1.45 3.53 0.60 2.43 1.51 -1.26 -3.77 117.35 121.84 1r44 s TYR 196 Ca 0.03 -2.34 -0.10 0.00 -1.01 0.00 0.00 57.07 53.65 1r44 s TYR 196 Cb -0.16 -2.90 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1r44 s TYR 196 CO -0.01 -0.92 0.98 -0.06 -1.11 0.00 0.00 175.55 174.43 1r44 s PHE 197 N 1.14 3.60 -0.05 2.71 0.40 0.36 -4.86 117.98 121.28 1r44 s PHE 197 Ca 0.05 1.18 0.25 0.00 -0.60 0.00 0.00 56.93 57.81 1r44 s PHE 197 Cb -0.21 -2.65 0.43 0.00 0.51 0.00 0.00 43.02 41.09 1r44 s PHE 197 CO -0.04 -0.63 1.16 -3.47 0.70 0.00 0.00 175.22 172.94 1r44 n ASP 198 N -2.66 1.03 -4.84 1.36 2.03 -1.26 -1.60 116.55 110.61 1r44 n ASP 198 Ca 0.05 -2.01 -0.34 0.00 0.52 0.00 0.00 54.79 53.02 1r44 n ASP 198 Cb 0.54 -0.31 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.70 3.46 0.64 -0.67 -0.12 -1.26 -4.81 117.98 114.52 1r44 s PHE 199 Ca 0.32 1.30 -0.14 0.00 -0.05 0.00 0.00 56.93 58.36 1r44 s PHE 199 Cb 0.37 -2.59 -0.01 0.00 -0.63 0.00 0.00 43.02 40.16 1r44 s PHE 199 CO -0.14 0.15 1.08 -2.14 -0.05 0.00 0.00 175.22 174.12 1r44 s PRO 200 N -2.68 3.02 -0.71 1.99 0.02 -1.26 -4.57 135.00 130.80 1r44 s PRO 200 Ca 0.51 1.22 -0.27 0.00 0.02 0.00 0.00 61.00 62.48 1r44 s PRO 200 Cb -0.12 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.44 1r44 s PRO 200 CO 0.18 -1.05 1.26 0.08 -0.33 0.00 0.00 177.00 177.14 1r44 s VAL 201 N -2.55 3.78 0.00 3.83 1.01 0.17 -4.97 120.40 121.67 1r44 s VAL 201 Ca 0.63 0.47 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1r44 s VAL 201 Cb -0.17 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.32 1r44 s VAL 201 CO 0.43 -1.77 0.00 1.17 0.00 0.00 0.00 175.10 174.92