#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 0.37 -2.61 2.12 4.07 -1.26 -4.92 120.64 118.40 1r44 n GLU 2 Ca 0.00 0.16 -0.41 0.00 -0.06 0.00 0.00 57.16 56.85 1r44 n GLU 2 Cb 0.00 -1.87 -0.04 0.00 -0.06 0.00 0.00 31.44 29.47 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 -1.87 4.25 0.00 6.31 1.10 -1.26 -2.81 121.20 126.93 1r44 s ILE 3 Ca 0.67 1.83 0.00 0.00 -0.51 0.00 0.00 60.65 62.64 1r44 s ILE 3 Cb -0.36 -4.17 0.00 0.00 0.15 0.00 0.00 42.46 38.08 1r44 s ILE 3 CO 0.56 0.26 0.00 0.61 -2.11 0.00 0.00 174.94 174.27 1r44 n GLY 4 N 2.35 1.26 3.76 1.50 0.00 -1.26 -5.03 105.19 107.77 1r44 n GLY 4 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.50 2.95 0.14 1.61 0.40 -1.12 -1.18 117.98 118.28 1r44 s PHE 5 Ca 0.00 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.02 1r44 s PHE 5 Cb 0.00 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.20 1r44 s PHE 5 CO 0.00 0.54 0.38 -0.08 0.70 0.00 0.00 175.22 176.76 1r44 s THR 6 N -2.21 0.07 -0.19 0.64 -1.32 0.12 -4.78 115.64 107.97 1r44 s THR 6 Ca 0.33 -0.81 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 1r44 s THR 6 Cb -0.07 -1.37 -0.01 0.00 -1.51 0.00 0.00 72.50 69.54 1r44 s THR 6 CO 0.23 -0.32 1.29 -0.36 -2.21 0.00 0.00 174.62 173.26 1r44 s PHE 7 N -3.85 2.77 0.55 9.09 0.08 -1.26 -0.28 117.98 125.08 1r44 s PHE 7 Ca 0.06 0.94 0.22 0.00 0.12 0.00 0.00 56.93 58.28 1r44 s PHE 7 Cb 0.02 -3.60 1.45 0.00 -0.57 0.00 0.00 43.02 40.32 1r44 s PHE 7 CO -0.08 -1.80 2.12 -0.07 -0.10 0.00 0.00 175.22 175.29 1r44 h LEU 8 N 10.01 0.00 -1.28 -0.37 3.38 -0.79 -1.32 115.31 124.94 1r44 h LEU 8 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1r44 h LEU 8 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1r44 h LEU 8 CO 0.98 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 177.27 1r44 h ASP 9 N 0.00 0.00 0.88 -0.43 2.03 -1.77 0.28 116.42 117.41 1r44 h ASP 9 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1r44 h ASP 9 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1r44 h ASP 9 CO -0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.59 1r44 n GLU 10 N -3.02 0.03 -0.05 4.15 1.02 -0.50 -3.81 120.64 118.45 1r44 n GLU 10 Ca 0.01 0.10 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1r44 n GLU 10 Cb 0.32 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.58 0.57 -3.37 -3.67 2.08 -0.84 -4.83 119.36 107.72 1r44 n ILE 11 Ca 0.06 -0.19 -0.46 0.00 0.56 0.00 0.00 62.75 62.73 1r44 n ILE 11 Cb 0.29 -1.19 -0.02 0.00 -0.75 0.00 0.00 39.64 37.97 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 -2.19 5.54 0.03 1.39 1.01 0.92 -4.97 120.40 122.12 1r44 s VAL 12 Ca -0.14 -2.76 -0.25 0.00 0.00 0.00 0.00 61.98 58.84 1r44 s VAL 12 Cb 0.04 -4.40 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 1r44 s VAL 12 CO 0.21 -1.05 1.50 0.45 0.00 0.00 0.00 175.10 176.21 1r44 h HIS 13 N 7.43 -0.02 -0.20 5.22 3.86 -1.83 -3.12 115.15 126.50 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 0.99 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1r44 h HIS 13 CO 0.95 0.22 0.00 0.41 0.86 0.00 0.00 177.93 180.37 1r44 n GLY 14 N -0.45 1.23 3.76 2.45 0.00 -1.26 -4.93 105.19 105.98 1r44 n GLY 14 Ca -0.08 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.61 3.24 0.24 1.61 0.11 -1.18 -4.94 120.40 117.87 1r44 s VAL 15 Ca 0.17 1.20 -0.19 0.00 -2.93 0.00 0.00 61.98 60.22 1r44 s VAL 15 Cb 0.11 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 31.11 1r44 s VAL 15 CO 0.07 0.27 0.73 -0.60 -3.33 0.00 0.00 175.10 172.24 1r44 s ARG 16 N -1.31 4.23 0.17 1.54 6.06 -0.79 -5.00 118.95 123.85 1r44 s ARG 16 Ca 0.48 0.85 -0.12 0.00 -2.50 0.00 0.00 55.73 54.44 1r44 s ARG 16 Cb -0.35 -2.82 0.00 0.00 0.06 0.00 0.00 34.95 31.84 1r44 s ARG 16 CO 0.44 0.36 0.37 1.67 -2.50 0.00 0.00 175.30 175.64 1r44 s TRP 17 N -1.58 0.21 -0.33 5.12 -2.14 -1.26 -0.26 118.94 118.70 1r44 s TRP 17 Ca 0.44 -0.57 0.06 0.00 2.66 0.00 0.00 56.10 58.69 1r44 s TRP 17 Cb -0.16 0.10 0.19 0.00 -3.10 0.00 0.00 33.47 30.51 1r44 s TRP 17 CO 0.21 -0.79 0.63 0.34 -2.66 0.00 0.00 176.95 174.67 1r44 s ASP 18 N -2.93 -1.54 -1.08 -2.66 2.15 -0.41 -4.91 116.67 105.29 1r44 s ASP 18 Ca 0.14 -0.14 -0.22 0.00 0.43 0.00 0.00 52.55 52.76 1r44 s ASP 18 Cb 0.02 1.96 0.01 0.00 -0.30 0.00 0.00 42.92 44.61 1r44 s ASP 18 CO -0.01 -0.24 1.69 0.00 -0.17 0.00 0.00 175.17 176.44 1r44 s ALA 19 N 2.50 2.49 0.42 3.66 0.00 -1.26 -4.30 121.76 125.26 1r44 s ALA 19 Ca 0.13 -2.23 0.20 0.00 0.00 0.00 0.00 51.96 50.06 1r44 s ALA 19 Cb -0.08 -4.58 1.14 0.00 0.00 0.00 0.00 23.12 19.61 1r44 s ALA 19 CO -0.19 -4.04 1.80 0.87 0.00 0.00 0.00 175.76 174.20 1r44 h LYS 20 N 9.62 0.35 -0.00 0.00 1.79 -1.88 0.15 116.57 126.59 1r44 h LYS 20 Ca 0.24 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1r44 h LYS 20 Cb 0.97 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1r44 h LYS 20 CO 1.36 0.23 -0.21 0.66 -1.08 0.00 0.00 179.45 180.41 1r44 n TYR 21 N -4.54 0.00 -0.28 -1.35 4.01 -1.26 -2.67 117.16 111.07 1r44 n TYR 21 Ca 0.23 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.06 1r44 n TYR 21 Cb 0.85 -0.18 0.31 0.00 -0.31 0.00 0.00 39.34 40.02 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 -0.90 2.88 -2.26 -0.72 0.00 0.52 0.13 120.51 120.16 1r44 n ALA 22 Ca 0.12 -1.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 1r44 n ALA 22 Cb 0.32 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.65 0.87 -1.22 0.00 2.01 -1.09 -4.78 115.64 109.78 1r44 s THR 23 Ca 0.45 -2.01 0.28 0.00 0.31 0.00 0.00 61.69 60.73 1r44 s THR 23 Cb 0.28 -2.09 0.29 0.00 0.01 0.00 0.00 72.50 70.99 1r44 s THR 23 CO 0.24 -0.52 1.83 0.79 -0.69 0.00 0.00 174.62 176.27 1r44 n TRP 24 N -0.26 0.00 -2.12 4.92 8.01 -1.26 -2.59 117.44 124.13 1r44 n TRP 24 Ca -0.07 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.71 1r44 n TRP 24 Cb 0.63 -0.34 -0.00 0.00 -2.01 0.00 0.00 31.31 29.58 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 -1.34 7.64 -3.63 -0.99 2.03 -1.26 -3.99 116.55 115.01 1r44 n ASP 25 Ca 0.10 -3.21 -0.20 0.00 0.52 0.00 0.00 54.79 52.00 1r44 n ASP 25 Cb 0.31 -1.35 -0.08 0.00 -0.72 0.00 0.00 41.12 39.28 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 0.17 1.73 0.41 1.67 4.22 -1.26 -4.87 114.94 117.01 1r44 s ASN 26 Ca 0.50 -1.69 0.29 0.00 -2.14 0.00 0.00 52.86 49.82 1r44 s ASN 26 Cb 0.17 0.52 1.25 0.00 1.28 0.00 0.00 41.25 44.48 1r44 s ASN 26 CO -0.08 -1.00 1.86 2.19 -2.04 0.00 0.00 177.10 178.02 1r44 h PHE 27 N 2.12 0.00 0.00 1.54 -5.15 -1.93 -1.38 116.94 112.14 1r44 h PHE 27 Ca -0.29 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.48 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 1.49 0.00 -0.26 1.79 -2.00 0.00 0.00 178.31 179.34 1r44 h THR 28 N 0.00 0.00 0.00 0.88 1.35 -1.97 -3.43 112.91 109.74 1r44 h THR 28 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1r44 h THR 28 Cb 0.36 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 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 1.14 1.78 3.50 5.82 0.00 -0.52 -5.00 105.19 111.91 1r44 n GLY 29 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.33 1.83 0.41 1.61 1.02 -1.26 -4.70 119.74 118.32 1r44 s LYS 30 Ca 0.00 -2.08 -0.27 0.00 0.02 0.00 0.00 55.97 53.64 1r44 s LYS 30 Cb 0.00 -0.78 -0.09 0.00 -0.52 0.00 0.00 37.83 36.44 1r44 s LYS 30 CO 0.00 -0.35 1.40 -2.14 -0.92 0.00 0.00 175.35 173.33 1r44 s PRO 31 N -3.80 3.94 0.11 -1.68 0.02 -1.07 -4.57 135.00 127.95 1r44 s PRO 31 Ca 0.28 2.37 -0.18 0.00 0.02 0.00 0.00 61.00 63.48 1r44 s PRO 31 Cb 0.05 -2.81 -0.07 0.00 0.02 0.00 0.00 34.50 31.70 1r44 s PRO 31 CO 0.14 -0.59 0.59 0.08 -0.33 0.00 0.00 177.00 176.88 1r44 s VAL 32 N -1.19 4.74 0.17 3.83 1.01 0.12 -4.98 120.40 124.10 1r44 s VAL 32 Ca 0.56 1.15 -0.32 0.00 0.00 0.00 0.00 61.98 63.37 1r44 s VAL 32 Cb -0.42 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 1r44 s VAL 32 CO 0.56 0.44 1.72 -0.67 0.00 0.00 0.00 175.10 177.15 1r44 n ASP 33 N 1.39 3.82 0.00 3.32 2.03 -1.26 -1.90 116.55 123.95 1r44 n ASP 33 Ca -0.08 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1r44 n ASP 33 Cb 0.51 -1.53 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 3.93 0.61 3.24 0.27 0.00 -1.26 -2.66 105.19 109.31 1r44 n GLY 34 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.08 3.45 -1.97 1.61 2.02 -0.80 0.85 117.35 120.43 1r44 s TYR 35 Ca 0.00 -1.87 0.18 0.00 -0.37 0.00 0.00 57.07 55.01 1r44 s TYR 35 Cb 0.00 -3.58 0.08 0.00 -0.40 0.00 0.00 41.96 38.05 1r44 s TYR 35 CO 0.00 -0.98 1.00 0.39 -1.57 0.00 0.00 175.55 174.39 1r44 n GLU 36 N 4.65 1.57 -4.01 -0.62 1.02 0.12 -4.69 120.64 118.69 1r44 n GLU 36 Ca -0.04 -1.26 -0.14 0.00 -0.02 0.00 0.00 57.16 55.70 1r44 n GLU 36 Cb 0.41 -1.33 -0.15 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.74 0.21 -1.36 2.62 1.01 -0.96 -4.92 120.40 115.26 1r44 s VAL 37 Ca 0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1r44 s VAL 37 Cb 0.15 -0.20 0.11 0.00 0.00 0.00 0.00 36.38 36.43 1r44 s VAL 37 CO 0.32 0.07 2.08 -3.20 0.00 0.00 0.00 175.10 174.37 1r44 n ASN 38 N 3.18 4.88 -4.05 3.32 2.85 -1.26 -4.71 115.26 119.47 1r44 n ASN 38 Ca -0.15 -2.99 -0.08 0.00 -0.11 0.00 0.00 54.58 51.25 1r44 n ASN 38 Cb 0.58 -1.55 -0.09 0.00 1.24 0.00 0.00 39.78 39.96 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 1.46 0.74 -0.28 1.20 0.52 -1.26 -4.72 118.95 116.61 1r44 s ARG 39 Ca 0.44 -1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 54.36 1r44 s ARG 39 Cb 0.12 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.82 1r44 s ARG 39 CO -0.04 -0.18 0.12 0.42 0.02 0.00 0.00 175.30 175.64 1r44 s ILE 40 N -3.93 4.55 -0.01 1.52 -1.09 -1.26 -4.80 121.20 116.18 1r44 s ILE 40 Ca 0.10 -0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1r44 s ILE 40 Cb 0.07 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1r44 s ILE 40 CO -0.08 0.21 0.14 -0.69 -1.23 0.00 0.00 174.94 173.29 1r44 s VAL 41 N 1.63 5.11 0.23 2.92 1.01 -1.26 -0.05 120.40 129.98 1r44 s VAL 41 Ca 0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1r44 s VAL 41 Cb -0.16 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1r44 s VAL 41 CO 0.06 0.33 0.83 -0.83 0.00 0.00 0.00 175.10 175.49 1r44 s GLY 42 N -1.86 -0.13 0.49 4.51 0.00 0.62 0.16 107.32 111.11 1r44 s GLY 42 Ca 0.25 -0.15 -0.23 0.00 0.00 0.00 0.00 44.72 44.60 1r44 s GLY 42 CO 0.17 -0.01 1.25 -1.59 0.00 0.00 0.00 173.10 172.92 1r44 s THR 43 N -3.57 2.65 0.53 0.90 2.01 0.47 0.15 115.64 118.79 1r44 s THR 43 Ca 0.12 0.50 0.22 0.00 0.31 0.00 0.00 61.69 62.84 1r44 s THR 43 Cb -0.04 -3.26 0.35 0.00 0.01 0.00 0.00 72.50 69.57 1r44 s THR 43 CO 0.05 0.00 2.05 1.88 -0.69 0.00 0.00 174.62 177.92 1r44 h TYR 44 N 1.87 0.00 -0.05 4.92 0.05 -1.47 -0.83 116.97 121.45 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 1.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1r44 h TYR 44 CO 0.50 0.00 -0.77 0.93 -1.05 0.00 0.00 178.16 177.78 1r44 h GLU 45 N 0.00 0.35 -0.09 4.88 3.07 -1.91 0.10 114.58 120.98 1r44 h GLU 45 Ca 0.16 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 1r44 h GLU 45 Cb 0.64 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1r44 h GLU 45 CO -0.00 0.96 0.03 1.25 -1.40 0.00 0.00 179.01 179.85 1r44 h LEU 46 N 0.23 0.13 -0.36 1.33 5.85 -1.50 -1.29 115.31 119.69 1r44 h LEU 46 Ca -0.04 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1r44 h LEU 46 Cb 1.35 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1r44 h LEU 46 CO 0.13 0.28 0.16 0.00 -0.34 0.00 0.00 178.44 178.66 1r44 h ALA 47 N 0.86 0.44 -0.06 1.25 0.00 -1.10 0.38 119.26 121.02 1r44 h ALA 47 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1r44 h ALA 47 Cb 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1r44 h ALA 47 CO -0.00 -0.22 -0.22 0.93 0.00 0.00 0.00 179.25 179.73 1r44 h GLU 48 N 0.33 -0.31 -0.03 0.00 5.08 -0.66 -0.41 114.58 118.58 1r44 h GLU 48 Ca 0.16 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1r44 h GLU 48 Cb 0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1r44 h GLU 48 CO -0.13 -0.21 -0.48 0.77 -1.00 0.00 0.00 179.01 177.96 1r44 h SER 49 N -0.32 0.08 0.04 1.42 0.02 -1.01 -2.51 113.55 111.28 1r44 h SER 49 Ca 0.08 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1r44 h SER 49 Cb 0.43 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1r44 h SER 49 CO -0.24 0.55 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.73 1r44 h LEU 50 N 0.06 0.28 -0.76 5.07 3.38 0.15 -0.58 115.31 122.91 1r44 h LEU 50 Ca 0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1r44 h LEU 50 Cb 0.87 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1r44 h LEU 50 CO 0.07 0.49 0.01 0.25 0.09 0.00 0.00 178.44 179.35 1r44 h LEU 51 N 0.27 0.93 -0.45 1.67 5.85 -0.76 0.40 115.31 123.21 1r44 h LEU 51 Ca 0.05 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 1r44 h LEU 51 Cb 0.50 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1r44 h LEU 51 CO 0.03 0.98 -0.14 0.11 -0.34 0.00 0.00 178.44 179.08 1r44 h LYS 52 N 0.88 0.90 -0.86 1.25 1.57 -1.01 -0.68 116.57 118.62 1r44 h LYS 52 Ca 0.16 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1r44 h LYS 52 Cb 0.50 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1r44 h LYS 52 CO 0.02 1.01 0.47 0.00 -0.57 0.00 0.00 179.45 180.38 1r44 h ALA 53 N 0.86 1.21 -0.25 3.86 0.00 -0.59 0.22 119.26 124.58 1r44 h ALA 53 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1r44 h ALA 53 Cb 0.70 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1r44 h ALA 53 CO 0.05 0.64 0.05 -0.22 0.00 0.00 0.00 179.25 179.77 1r44 h LYS 54 N 1.20 0.41 -0.68 0.00 3.64 0.04 0.80 116.57 121.99 1r44 h LYS 54 Ca 0.30 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1r44 h LYS 54 Cb 0.03 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1r44 h LYS 54 CO -0.05 0.52 0.32 0.93 -2.27 0.00 0.00 179.45 178.91 1r44 h GLU 55 N 0.23 0.97 -0.13 1.90 5.08 -0.78 0.72 114.58 122.58 1r44 h GLU 55 Ca 0.08 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1r44 h GLU 55 Cb 0.30 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1r44 h GLU 55 CO 0.00 0.75 -0.41 1.25 -1.00 0.00 0.00 179.01 179.61 1r44 h LEU 56 N 0.96 0.58 -1.23 1.33 6.46 -0.26 -3.09 115.31 120.06 1r44 h LEU 56 Ca 0.24 -0.60 -0.01 0.00 -0.12 0.00 0.00 57.88 57.38 1r44 h LEU 56 Cb 0.11 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1r44 h LEU 56 CO -0.03 1.08 0.37 0.00 -0.62 0.00 0.00 178.44 179.24 1r44 h ALA 57 N 0.51 1.42 -0.44 1.25 0.00 0.12 -2.04 119.26 120.09 1r44 h ALA 57 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1r44 h ALA 57 Cb 1.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1r44 h ALA 57 CO 0.09 0.49 0.09 0.00 0.00 0.00 0.00 179.25 179.92 1r44 h ALA 58 N 1.50 1.35 -0.91 0.00 0.00 -0.42 0.28 119.26 121.06 1r44 h ALA 58 Ca 0.23 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.11 1r44 h ALA 58 Cb 0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 1r44 h ALA 58 CO -0.04 0.46 0.51 1.15 0.00 0.00 0.00 179.25 181.34 1r44 h THR 59 N 0.64 0.77 -0.19 0.00 2.02 -1.29 -1.28 112.91 113.58 1r44 h THR 59 Ca 0.14 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1r44 h THR 59 Cb 0.26 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1r44 h THR 59 CO -0.00 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1r44 n GLN 60 N -4.80 1.79 -1.72 6.66 6.02 -1.05 -4.94 117.38 119.35 1r44 n GLN 60 Ca 0.19 -1.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.98 1r44 n GLN 60 Cb 0.44 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 1.16 0.54 3.33 1.08 0.00 -0.48 -5.03 105.19 105.78 1r44 n GLY 61 Ca 0.16 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 1.92 0.29 1.61 2.02 0.95 -0.70 117.35 121.44 1r44 s TYR 62 Ca 0.00 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.37 1r44 s TYR 62 Cb 0.00 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 1r44 s TYR 62 CO 0.00 0.30 0.05 0.20 -1.57 0.00 0.00 175.55 174.53 1r44 s GLY 63 N -2.25 1.73 -0.10 0.71 0.00 0.27 -2.25 107.32 105.42 1r44 s GLY 63 Ca 0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 1r44 s GLY 63 CO 0.06 -1.72 0.08 1.08 0.00 0.00 0.00 173.10 172.61 1r44 s LEU 64 N -3.74 4.04 -0.22 0.66 1.43 -1.26 -0.95 118.68 118.64 1r44 s LEU 64 Ca 0.33 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1r44 s LEU 64 Cb -0.05 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1r44 s LEU 64 CO 0.21 0.38 -0.15 -0.22 0.23 0.00 0.00 176.35 176.80 1r44 s LEU 65 N -1.04 2.75 0.00 1.79 2.96 0.30 -1.88 118.68 123.57 1r44 s LEU 65 Ca 0.15 -1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 52.89 1r44 s LEU 65 Cb -0.12 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 1r44 s LEU 65 CO 0.04 -0.10 0.42 -0.76 -1.32 0.00 0.00 176.35 174.64 1r44 s LEU 66 N 1.21 4.47 -0.04 -0.68 1.43 0.64 -1.12 118.68 124.59 1r44 s LEU 66 Ca -0.02 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 1r44 s LEU 66 Cb -0.16 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1r44 s LEU 66 CO -0.09 0.31 0.02 0.79 0.23 0.00 0.00 176.35 177.61 1r44 n TRP 67 N 1.87 0.00 -3.64 0.29 8.01 0.24 -1.29 117.44 122.92 1r44 n TRP 67 Ca -0.13 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 55.98 1r44 n TRP 67 Cb 0.52 -0.21 -0.07 0.00 -2.01 0.00 0.00 31.31 29.54 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 -3.52 -0.50 0.00 -0.99 2.15 -1.18 -3.02 116.67 109.61 1r44 s ASP 68 Ca -0.02 0.90 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1r44 s ASP 68 Cb 0.01 1.02 0.00 0.00 -0.30 0.00 0.00 42.92 43.65 1r44 s ASP 68 CO 0.18 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1r44 n GLY 69 N 2.80 1.58 3.74 2.66 0.00 -1.26 0.55 105.19 115.25 1r44 n GLY 69 Ca -0.15 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 2.10 2.99 -0.12 1.61 5.04 0.43 -4.74 117.35 124.66 1r44 s TYR 70 Ca 0.00 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1r44 s TYR 70 Cb 0.00 -3.89 0.02 0.00 0.35 0.00 0.00 41.96 38.44 1r44 s TYR 70 CO 0.00 -3.03 -0.11 0.50 -1.34 0.00 0.00 175.55 171.57 1r44 s ARG 71 N 0.02 1.83 0.55 4.97 3.52 -0.91 -4.65 118.95 124.29 1r44 s ARG 71 Ca 0.63 -0.38 -0.22 0.00 -0.13 0.00 0.00 55.73 55.63 1r44 s ARG 71 Cb -0.43 -1.76 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 1r44 s ARG 71 CO 0.41 -0.22 1.36 -2.14 -0.81 0.00 0.00 175.30 173.89 1r44 s PRO 72 N 1.51 3.12 0.40 5.12 0.02 -1.26 -3.14 135.00 140.77 1r44 s PRO 72 Ca 0.03 2.23 0.13 0.00 0.02 0.00 0.00 61.00 63.41 1r44 s PRO 72 Cb -0.13 -2.24 0.97 0.00 0.02 0.00 0.00 34.50 33.11 1r44 s PRO 72 CO -0.08 -1.21 1.90 0.87 -0.33 0.00 0.00 177.00 178.16 1r44 h LYS 73 N 1.42 0.50 0.00 5.54 1.57 -1.67 0.10 116.57 124.04 1r44 h LYS 73 Ca -0.51 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.20 1r44 h LYS 73 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1r44 h LYS 73 CO 0.57 0.33 -0.19 0.07 -0.57 0.00 0.00 179.45 179.66 1r44 h ARG 74 N 0.52 0.00 -0.42 3.15 0.11 -1.87 0.70 114.38 116.57 1r44 h ARG 74 Ca 0.40 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.33 1r44 h ARG 74 Cb 0.81 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 1r44 h ARG 74 CO -0.15 0.19 -0.33 0.00 0.10 0.00 0.00 179.97 179.78 1r44 h ALA 75 N 1.81 0.61 -0.64 0.08 0.00 -0.58 0.46 119.26 121.00 1r44 h ALA 75 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1r44 h ALA 75 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1r44 h ALA 75 CO 0.02 0.68 0.07 0.28 0.00 0.00 0.00 179.25 180.30 1r44 h VAL 76 N 0.81 1.26 -0.50 0.00 2.07 -0.80 -1.24 116.25 117.85 1r44 h VAL 76 Ca 0.08 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 1r44 h VAL 76 Cb 0.92 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1r44 h VAL 76 CO 0.09 0.40 -0.08 0.78 0.02 0.00 0.00 177.57 178.77 1r44 h ASN 77 N 0.99 0.90 -0.96 0.57 2.35 -0.66 -1.93 115.58 116.84 1r44 h ASN 77 Ca 0.19 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1r44 h ASN 77 Cb 0.49 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 1r44 h ASN 77 CO 0.02 1.01 0.63 0.00 -1.65 0.00 0.00 177.43 177.44 1r44 h PHE 79 N 1.28 1.12 -0.39 0.00 0.05 -0.88 -0.95 116.94 117.17 1r44 h PHE 79 Ca 0.36 -0.18 -0.07 0.00 3.82 0.00 0.00 57.97 61.89 1r44 h PHE 79 Cb -0.12 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.52 1r44 h PHE 79 CO -0.00 0.99 -0.03 0.52 -0.18 0.00 0.00 178.31 179.60 1r44 h MET 80 N 0.95 0.71 -0.84 1.51 2.86 -0.59 -0.40 114.93 119.13 1r44 h MET 80 Ca 0.17 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1r44 h MET 80 Cb 0.54 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1r44 h MET 80 CO 0.03 0.82 0.46 1.96 1.06 0.00 0.00 176.91 181.23 1r44 h GLN 81 N 0.53 1.17 -0.58 1.72 1.08 -0.34 -2.34 115.11 116.35 1r44 h GLN 81 Ca 0.11 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1r44 h GLN 81 Cb 0.51 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1r44 h GLN 81 CO 0.03 0.86 0.17 2.35 -0.95 0.00 0.00 178.83 181.28 1r44 h TRP 82 N 1.17 0.94 0.00 2.96 7.01 -0.86 -2.44 115.95 124.73 1r44 h TRP 82 Ca 0.29 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 1r44 h TRP 82 Cb 0.03 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 26.82 1r44 h TRP 82 CO 0.01 0.80 -0.09 0.00 -2.79 0.00 0.00 178.44 176.37 1r44 h ALA 83 N 1.04 1.20 -0.00 2.65 0.00 -0.81 -1.54 119.26 121.80 1r44 h ALA 83 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r44 h ALA 83 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r44 h ALA 83 CO -0.00 0.11 -0.18 0.00 0.00 0.00 0.00 179.25 179.18 1r44 n ALA 84 N -2.23 2.89 -2.06 0.00 0.00 -0.90 -3.85 120.51 114.37 1r44 n ALA 84 Ca -0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1r44 n ALA 84 Cb 0.23 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.55 3.30 0.48 0.00 -1.52 -0.58 -5.05 119.66 113.74 1r44 s GLN 85 Ca 0.25 0.34 -0.24 0.00 -1.95 0.00 0.00 55.36 53.76 1r44 s GLN 85 Cb 0.20 -2.22 -0.07 0.00 -0.22 0.00 0.00 33.01 30.70 1r44 s GLN 85 CO 0.51 -0.55 1.31 -1.25 -0.25 0.00 0.00 175.29 175.06 1r44 s PRO 86 N -5.02 3.56 -0.49 2.91 0.04 -1.26 -4.94 135.00 129.80 1r44 s PRO 86 Ca 0.53 2.14 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 1r44 s PRO 86 Cb -0.11 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1r44 s PRO 86 CO 0.48 -0.82 1.46 -2.00 0.04 0.00 0.00 177.00 176.16 1r44 s GLU 87 N -2.63 3.38 0.00 4.56 2.56 -1.26 -4.84 118.70 120.47 1r44 s GLU 87 Ca 0.65 0.72 0.26 0.00 0.00 0.00 0.00 54.97 56.59 1r44 s GLU 87 Cb -0.38 -4.10 0.89 0.00 2.00 0.00 0.00 34.13 32.54 1r44 s GLU 87 CO 0.46 -1.82 1.65 0.27 -0.56 0.00 0.00 175.26 175.26 1r44 n ASN 88 N 9.48 1.71 -0.68 -1.70 2.04 -1.26 -4.95 115.26 119.91 1r44 n ASN 88 Ca 0.15 -1.61 -0.08 0.00 -0.44 0.00 0.00 54.58 52.61 1r44 n ASN 88 Cb 0.49 -0.04 -0.03 0.00 -2.53 0.00 0.00 39.78 37.67 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 0.34 -4.51 -0.10 0.53 3.02 -1.26 -4.87 115.26 108.42 1r44 n ASN 89 Ca 0.18 0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.82 1r44 n ASN 89 Cb 0.37 -3.33 -0.02 0.00 -0.61 0.00 0.00 39.78 36.19 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 -2.72 3.41 5.85 -1.98 -3.31 115.31 116.97 1r44 h LEU 90 Ca -0.15 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1r44 h LEU 90 Cb 0.91 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1r44 h LEU 90 CO 0.23 0.44 0.00 0.35 -0.34 0.00 0.00 178.44 179.12 1r44 n THR 91 N -4.75 0.86 0.22 1.05 -2.24 -1.26 -4.82 114.28 103.33 1r44 n THR 91 Ca -0.02 -0.93 -0.15 0.00 -2.27 0.00 0.00 64.05 60.68 1r44 n THR 91 Cb 0.12 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.29 -0.48 -1.00 -0.78 3.64 -1.90 -1.96 116.57 114.37 1r44 h LYS 92 Ca 0.00 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.61 1r44 h LYS 92 Cb 0.47 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 1r44 h LYS 92 CO 0.00 -0.28 0.61 0.93 -2.27 0.00 0.00 179.45 178.45 1r44 h GLU 93 N -0.58 0.70 0.07 1.90 4.39 -1.86 0.18 114.58 119.37 1r44 h GLU 93 Ca -0.05 -0.04 -0.29 0.00 0.34 0.00 0.00 59.36 59.32 1r44 h GLU 93 Cb 0.43 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1r44 h GLU 93 CO 0.08 0.46 -1.54 0.77 -1.16 0.00 0.00 179.01 177.63 1r44 h SER 94 N 0.72 0.22 0.00 1.42 0.02 -1.91 -3.39 113.55 110.62 1r44 h SER 94 Ca 0.58 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 1r44 h SER 94 Cb 0.97 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1r44 h SER 94 CO -0.38 1.29 -1.53 -1.22 -1.14 0.00 0.00 176.83 173.84 1r44 n TYR 95 N -3.32 0.00 -2.74 3.45 4.02 -0.74 -4.79 117.16 113.04 1r44 n TYR 95 Ca -0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.65 1r44 n TYR 95 Cb 1.03 -0.34 0.08 0.00 -0.02 0.00 0.00 39.34 40.09 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 -2.11 -2.92 -1.13 -0.72 0.18 0.54 -3.82 117.16 107.18 1r44 n TYR 96 Ca -0.09 -2.09 -0.30 0.00 1.88 0.00 0.00 57.90 57.30 1r44 n TYR 96 Cb 0.55 1.61 0.14 0.00 -0.38 0.00 0.00 39.34 41.26 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 0.31 1.22 0.00 -3.48 0.04 -0.62 -3.34 135.00 129.14 1r44 s PRO 97 Ca 0.24 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1r44 s PRO 97 Cb 0.28 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1r44 s PRO 97 CO -0.08 -2.29 0.00 0.09 0.04 0.00 0.00 177.00 174.76 1r44 n ASN 98 N -3.93 0.00 -3.98 6.66 3.02 -1.26 -4.90 115.26 110.87 1r44 n ASN 98 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.53 1r44 n ASN 98 Cb 0.55 -0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.01 0.13 0.49 2.41 1.01 -1.21 -5.14 121.20 116.86 1r44 s ILE 99 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1r44 s ILE 99 Cb 0.00 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.22 1r44 s ILE 99 CO 0.00 -0.45 0.71 -1.81 0.00 0.00 0.00 174.94 173.39 1r44 s ASP 100 N -1.35 5.65 0.07 3.58 -0.00 -1.26 -4.89 116.67 118.47 1r44 s ASP 100 Ca -0.14 0.21 -0.23 0.00 -0.00 0.00 0.00 52.55 52.39 1r44 s ASP 100 Cb -0.09 -1.34 -0.15 0.00 -0.00 0.00 0.00 42.92 41.34 1r44 s ASP 100 CO -0.01 -0.85 1.62 0.03 -0.00 0.00 0.00 175.17 175.96 1r44 h ARG 101 N 0.27 0.07 -0.82 8.23 3.08 -1.92 -2.69 114.38 120.60 1r44 h ARG 101 Ca -0.45 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.67 1r44 h ARG 101 Cb 1.27 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 1r44 h ARG 101 CO 0.56 0.18 -0.54 1.15 -1.07 0.00 0.00 179.97 180.25 1r44 h THR 102 N -0.06 0.00 0.00 2.04 2.02 -1.94 0.15 112.91 115.12 1r44 h THR 102 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1r44 h THR 102 Cb 0.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1r44 h THR 102 CO -0.00 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.56 1r44 h GLU 103 N -0.07 0.00 0.00 6.66 5.08 -1.92 0.51 114.58 124.84 1r44 h GLU 103 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1r44 h GLU 103 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1r44 h GLU 103 CO -0.81 0.00 -0.37 1.98 -1.00 0.00 0.00 179.01 178.81 1r44 h MET 104 N 0.00 0.00 0.05 2.33 4.05 -0.39 1.17 114.93 122.14 1r44 h MET 104 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1r44 h MET 104 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1r44 h MET 104 CO 0.00 0.12 -0.02 0.82 0.23 0.00 0.00 176.91 178.05 1r44 h ILE 105 N 0.00 1.25 0.04 1.77 2.04 -0.17 -0.08 117.51 122.37 1r44 h ILE 105 Ca -0.01 -1.06 -0.24 0.00 1.00 0.00 0.00 64.86 64.55 1r44 h ILE 105 Cb 1.11 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1r44 h ILE 105 CO 0.02 0.26 -1.03 0.77 0.00 0.00 0.00 178.15 178.17 1r44 h SER 106 N -0.54 0.50 0.33 1.72 4.64 -1.09 -3.20 113.55 115.90 1r44 h SER 106 Ca -0.01 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1r44 h SER 106 Cb 0.48 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1r44 h SER 106 CO 0.01 1.26 -0.01 0.29 -0.87 0.00 0.00 176.83 177.51 1r44 n LYS 107 N -3.69 0.69 -2.28 4.77 5.02 0.40 -4.93 118.16 118.14 1r44 n LYS 107 Ca -0.07 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1r44 n LYS 107 Cb 0.89 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 1.18 0.80 0.04 0.72 0.00 -1.21 -5.01 105.19 101.70 1r44 n GLY 108 Ca 0.18 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.00 -3.41 1.61 0.99 -1.67 -3.42 116.97 111.07 1r44 h TYR 109 Ca 0.00 0.00 -0.72 0.00 2.00 0.00 0.00 58.73 60.01 1r44 h TYR 109 Cb 0.97 0.00 -0.21 0.00 1.00 0.00 0.00 36.73 38.49 1r44 h TYR 109 CO 0.00 0.00 -0.32 0.14 -0.00 0.00 0.00 178.16 177.98 1r44 s VAL 110 N -1.59 5.20 0.37 -2.88 -7.23 -0.09 -5.05 120.40 109.12 1r44 s VAL 110 Ca -0.05 -0.75 -0.21 0.00 -1.81 0.00 0.00 61.98 59.17 1r44 s VAL 110 Cb 0.01 -4.05 -0.10 0.00 0.56 0.00 0.00 36.38 32.80 1r44 s VAL 110 CO 0.07 -0.46 0.89 0.00 -0.31 0.00 0.00 175.10 175.28 1r44 s ALA 111 N 1.81 3.17 -0.10 1.32 0.00 -1.26 -4.37 121.76 122.33 1r44 s ALA 111 Ca 0.06 0.34 0.30 0.00 0.00 0.00 0.00 51.96 52.66 1r44 s ALA 111 Cb -0.21 -3.05 1.24 0.00 0.00 0.00 0.00 23.12 21.10 1r44 s ALA 111 CO 0.09 0.20 1.89 1.03 0.00 0.00 0.00 175.76 178.98 1r44 h SER 112 N 2.40 0.00 -3.37 0.00 0.87 -1.92 -3.41 113.55 108.13 1r44 h SER 112 Ca -0.48 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.58 1r44 h SER 112 Cb 1.18 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.80 1r44 h SER 112 CO 0.63 0.00 -0.80 -0.75 -0.53 0.00 0.00 176.83 175.38 1r44 s LYS 113 N -3.55 1.47 -0.03 2.24 2.20 -1.26 -4.87 119.74 115.94 1r44 s LYS 113 Ca 0.02 -0.30 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1r44 s LYS 113 Cb 0.09 -1.33 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 1r44 s LYS 113 CO 0.49 -0.07 -0.24 0.45 -0.36 0.00 0.00 175.35 175.62 1r44 s SER 114 N 0.99 2.89 0.62 1.43 0.15 -1.26 -4.99 113.70 113.53 1r44 s SER 114 Ca -0.09 -0.46 0.32 0.00 0.70 0.00 0.00 55.95 56.43 1r44 s SER 114 Cb -0.15 -0.46 1.79 0.00 -1.71 0.00 0.00 66.02 65.49 1r44 s SER 114 CO 0.00 0.28 2.09 0.77 1.20 0.00 0.00 173.24 177.58 1r44 h SER 115 N 5.70 0.00 -0.32 5.45 4.64 -1.98 -1.94 113.55 125.09 1r44 h SER 115 Ca -0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 1r44 h SER 115 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1r44 h SER 115 CO 0.47 0.00 0.01 0.45 -0.87 0.00 0.00 176.83 176.89 1r44 h HIS 116 N 0.00 0.70 0.00 4.77 3.86 -1.89 -2.30 115.15 120.29 1r44 h HIS 116 Ca 0.06 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1r44 h HIS 116 Cb 0.49 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1r44 h HIS 116 CO 0.00 0.65 0.00 0.43 0.86 0.00 0.00 177.93 179.87 1r44 n SER 117 N -4.25 0.66 -0.04 2.45 7.64 -0.73 -1.50 113.62 117.85 1r44 n SER 117 Ca 0.02 0.72 0.13 0.00 1.01 0.00 0.00 58.87 60.75 1r44 n SER 117 Cb 0.27 -0.84 0.48 0.00 -1.01 0.00 0.00 64.21 63.11 1r44 n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r44 n ARG 118 N -2.29 0.22 -0.48 1.43 1.74 -0.86 -0.57 116.66 115.85 1r44 n ARG 118 Ca 0.01 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1r44 n ARG 118 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.43 0.98 0.19 -0.13 0.00 -0.56 -4.64 105.19 102.46 1r44 n GLY 119 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 2.44 -4.78 1.61 7.64 -1.26 -0.39 113.62 118.87 1r44 n SER 120 Ca 0.00 -2.53 -0.30 0.00 1.01 0.00 0.00 58.87 57.04 1r44 n SER 120 Cb 0.00 -0.25 -0.06 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 -1.93 3.58 -0.03 -0.43 0.00 -1.26 -0.98 121.76 120.71 1r44 s ALA 121 Ca 0.19 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1r44 s ALA 121 Cb 0.16 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1r44 s ALA 121 CO 0.04 0.74 0.12 -1.50 0.00 0.00 0.00 175.76 175.16 1r44 s ILE 122 N -1.41 0.03 -0.19 0.00 1.10 0.18 -4.21 121.20 116.70 1r44 s ILE 122 Ca 0.30 -0.22 -0.03 0.00 -0.51 0.00 0.00 60.65 60.18 1r44 s ILE 122 Cb -0.12 -0.25 -0.02 0.00 0.15 0.00 0.00 42.46 42.22 1r44 s ILE 122 CO 0.22 -0.12 -0.05 -1.81 -2.11 0.00 0.00 174.94 171.07 1r44 s ASP 123 N -0.38 4.47 0.20 4.50 1.01 0.19 -1.76 116.67 124.91 1r44 s ASP 123 Ca -0.05 -0.29 -0.20 0.00 0.71 0.00 0.00 52.55 52.73 1r44 s ASP 123 Cb -0.03 -1.75 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1r44 s ASP 123 CO 0.00 0.07 0.58 -1.48 0.21 0.00 0.00 175.17 174.55 1r44 s LEU 124 N 0.97 -0.18 0.00 1.23 2.34 -1.02 0.80 118.68 122.82 1r44 s LEU 124 Ca 0.00 -0.35 0.01 0.00 0.06 0.00 0.00 54.13 53.86 1r44 s LEU 124 Cb -0.15 2.39 -0.01 0.00 -0.56 0.00 0.00 46.19 47.87 1r44 s LEU 124 CO 0.01 -1.08 0.05 0.41 -1.06 0.00 0.00 176.35 174.68 1r44 n THR 125 N -0.37 0.00 -4.31 5.48 -1.04 -0.28 -4.60 114.28 109.17 1r44 n THR 125 Ca -0.11 -1.10 -0.30 0.00 -2.04 0.00 0.00 64.05 60.49 1r44 n THR 125 Cb 0.63 0.36 -0.10 0.00 -1.82 0.00 0.00 70.33 69.39 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 2.97 0.19 -4.42 1.43 -1.26 -0.54 118.68 117.05 1r44 s LEU 126 Ca 0.08 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1r44 s LEU 126 Cb 0.00 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1r44 s LEU 126 CO 0.05 0.20 -0.15 -0.72 0.23 0.00 0.00 176.35 175.96 1r44 s TYR 127 N -1.15 1.68 0.06 0.29 -0.85 -0.13 -1.94 117.35 115.31 1r44 s TYR 127 Ca 0.20 -0.56 -0.31 0.00 -0.52 0.00 0.00 57.07 55.88 1r44 s TYR 127 Cb -0.11 -0.80 -0.06 0.00 0.38 0.00 0.00 41.96 41.37 1r44 s TYR 127 CO 0.12 0.33 1.30 1.03 -1.52 0.00 0.00 175.55 176.80 1r44 s ARG 128 N -3.44 4.36 0.16 -3.49 1.81 0.12 -0.57 118.95 117.90 1r44 s ARG 128 Ca 0.20 1.89 -0.05 0.00 -1.72 0.00 0.00 55.73 56.06 1r44 s ARG 128 Cb -0.02 -3.38 0.01 0.00 -0.45 0.00 0.00 34.95 31.11 1r44 s ARG 128 CO 0.06 -0.39 1.41 1.25 -0.68 0.00 0.00 175.30 176.95 1r44 h LEU 129 N 7.22 0.62 -0.04 2.53 5.85 -1.22 -0.25 115.31 130.03 1r44 h LEU 129 Ca -0.40 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 57.90 1r44 h LEU 129 Cb 1.20 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1r44 h LEU 129 CO 0.85 1.15 -0.03 -2.24 -0.34 0.00 0.00 178.44 177.83 1r44 h ASP 130 N 0.37 0.10 0.87 1.25 -0.00 -1.92 -3.32 116.42 113.76 1r44 h ASP 130 Ca -0.03 -0.47 -0.18 0.00 -0.00 0.00 0.00 57.03 56.35 1r44 h ASP 130 Cb 1.30 -0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 40.58 1r44 h ASP 130 CO 0.13 0.55 -1.22 0.74 -0.00 0.00 0.00 179.24 179.44 1r44 h THR 131 N -0.34 0.76 0.00 1.15 2.02 -1.95 -3.47 112.91 111.08 1r44 h THR 131 Ca 0.01 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.88 1r44 h THR 131 Cb 0.52 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1r44 h THR 131 CO 0.01 0.44 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1r44 n GLY 132 N 1.38 1.27 3.91 2.16 0.00 -0.10 -5.02 105.19 108.78 1r44 n GLY 132 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.07 3.59 0.21 1.61 2.02 -1.25 -4.73 118.70 120.08 1r44 s GLU 133 Ca 0.00 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 1r44 s GLU 133 Cb 0.00 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 1r44 s GLU 133 CO 0.00 -0.06 1.33 -0.51 0.02 0.00 0.00 175.26 176.04 1r44 s LEU 134 N -4.34 4.41 -0.06 1.80 1.43 -1.26 0.11 118.68 120.76 1r44 s LEU 134 Ca 0.47 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.71 1r44 s LEU 134 Cb -0.10 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1r44 s LEU 134 CO 0.39 -0.55 1.35 -0.69 0.23 0.00 0.00 176.35 177.07 1r44 s VAL 135 N 0.06 3.98 0.06 -1.59 1.01 -0.82 -4.80 120.40 118.31 1r44 s VAL 135 Ca 0.57 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.53 1r44 s VAL 135 Cb -0.37 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1r44 s VAL 135 CO 0.39 -0.05 1.39 -2.16 0.00 0.00 0.00 175.10 174.68 1r44 s PRO 136 N 2.84 4.31 0.00 2.72 0.04 -1.26 -4.82 135.00 138.83 1r44 s PRO 136 Ca 0.61 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.69 1r44 s PRO 136 Cb -0.27 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.88 1r44 s PRO 136 CO 0.23 -0.49 0.55 -1.33 0.04 0.00 0.00 177.00 176.00 1r44 n MET 137 N 4.59 -0.44 0.00 4.56 2.81 -1.26 -4.34 117.12 123.03 1r44 n MET 137 Ca 0.12 -0.61 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 1r44 n MET 137 Cb 0.43 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 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 0.16 2.94 3.14 3.03 0.00 -1.26 -4.81 105.19 108.39 1r44 n GLY 138 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.29 0.26 0.55 1.61 1.04 -1.26 -5.02 113.70 110.58 1r44 s SER 139 Ca 0.00 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 1r44 s SER 139 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1r44 s SER 139 CO 0.00 -0.63 0.87 -0.60 0.98 0.00 0.00 173.24 173.85 1r44 s ARG 140 N -3.58 3.29 0.21 4.02 3.52 -1.26 -4.99 118.95 120.16 1r44 s ARG 140 Ca 0.03 0.20 -0.32 0.00 -0.13 0.00 0.00 55.73 55.51 1r44 s ARG 140 Cb 0.05 -2.29 -0.14 0.00 -1.56 0.00 0.00 34.95 31.01 1r44 s ARG 140 CO -0.09 -0.46 1.43 0.34 -0.81 0.00 0.00 175.30 175.71 1r44 n PHE 141 N -2.46 2.10 -2.75 5.12 7.35 -1.26 -1.75 117.46 123.81 1r44 n PHE 141 Ca 0.03 0.42 -0.20 0.00 -0.76 0.00 0.00 57.45 56.94 1r44 n PHE 141 Cb 0.56 -2.46 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 2.49 -5.58 0.21 -2.13 8.00 -1.26 -4.94 116.55 113.34 1r44 n ASP 142 Ca 0.14 -0.18 0.08 0.00 0.71 0.00 0.00 54.79 55.53 1r44 n ASP 142 Cb 0.30 -4.49 0.44 0.00 -0.02 0.00 0.00 41.12 37.35 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 -0.84 0.00 -5.49 1.24 3.57 -1.56 -3.44 116.94 110.42 1r44 h PHE 143 Ca -0.47 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.72 1r44 h PHE 143 Cb 1.33 0.00 0.16 0.00 2.79 0.00 0.00 35.95 40.23 1r44 h PHE 143 CO 0.48 0.29 -0.74 -1.33 -2.23 0.00 0.00 178.31 174.78 1r44 n MET 144 N -3.56 -6.18 -3.71 1.11 2.81 -1.25 -4.10 117.12 102.25 1r44 n MET 144 Ca -0.01 0.81 -0.10 0.00 -1.81 0.00 0.00 57.70 56.60 1r44 n MET 144 Cb 0.43 -5.72 -0.04 0.00 -0.71 0.00 0.00 33.22 27.18 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 -4.27 -0.26 0.46 7.83 2.15 -1.26 -4.69 116.67 116.63 1r44 s ASP 145 Ca 0.02 -0.44 0.31 0.00 0.43 0.00 0.00 52.55 52.87 1r44 s ASP 145 Cb -0.00 0.56 1.52 0.00 -0.30 0.00 0.00 42.92 44.70 1r44 s ASP 145 CO 0.70 -1.01 1.95 -0.33 -0.17 0.00 0.00 175.17 176.31 1r44 h GLU 146 N 2.23 0.00 -0.16 4.34 5.08 -1.93 -0.59 114.58 123.54 1r44 h GLU 146 Ca -0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1r44 h GLU 146 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1r44 h GLU 146 CO 0.39 0.00 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.28 1r44 h ARG 147 N 0.00 0.23 0.00 2.33 9.65 -1.95 -2.37 114.38 122.27 1r44 h ARG 147 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1r44 h ARG 147 Cb 0.22 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1r44 h ARG 147 CO 0.00 0.29 0.00 0.43 2.80 0.00 0.00 179.97 183.49 1r44 n SER 148 N -4.36 0.00 -4.76 -3.80 7.64 -0.23 -4.77 113.62 103.33 1r44 n SER 148 Ca -0.01 0.45 -0.38 0.00 1.01 0.00 0.00 58.87 59.95 1r44 n SER 148 Cb 0.20 -0.48 0.02 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.97 2.57 0.19 1.43 3.76 -0.89 -1.29 115.29 118.10 1r44 s HIS 149 Ca 0.13 1.46 -0.11 0.00 -0.15 0.00 0.00 55.06 56.39 1r44 s HIS 149 Cb 0.17 -3.58 0.12 0.00 1.11 0.00 0.00 32.58 30.40 1r44 s HIS 149 CO 0.47 -2.19 1.85 0.45 -0.85 0.00 0.00 174.74 174.46 1r44 h HIS 150 N 1.71 0.88 -0.01 1.40 3.86 -0.61 -2.73 115.15 119.65 1r44 h HIS 150 Ca -0.50 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1r44 h HIS 150 Cb 1.27 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1r44 h HIS 150 CO 0.49 0.58 0.00 0.00 0.86 0.00 0.00 177.93 179.86 1r44 n ALA 151 N -2.30 2.65 -1.69 2.45 0.00 -1.26 -4.94 120.51 115.41 1r44 n ALA 151 Ca 0.06 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1r44 n ALA 151 Cb 0.04 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.81 1.21 -2.85 0.00 0.00 -1.03 -5.04 120.51 111.99 1r44 n ALA 152 Ca 0.19 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 1r44 n ALA 152 Cb 0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 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 -0.49 5.74 0.00 0.00 4.22 -1.26 -4.52 114.94 118.63 1r44 s ASN 153 Ca 0.60 -0.17 0.00 0.00 -2.14 0.00 0.00 52.86 51.14 1r44 s ASN 153 Cb -0.53 -1.51 0.00 0.00 1.28 0.00 0.00 41.25 40.49 1r44 s ASN 153 CO 0.59 -0.06 0.00 0.61 -2.04 0.00 0.00 177.10 176.20 1r44 n GLY 154 N -1.26 0.75 3.21 0.45 0.00 -1.26 -4.86 105.19 102.22 1r44 n GLY 154 Ca -0.08 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 1.69 1.27 -0.61 1.09 -1.26 -5.10 121.20 116.28 1r44 s ILE 155 Ca 0.00 -0.89 -0.18 0.00 -1.10 0.00 0.00 60.65 58.48 1r44 s ILE 155 Cb 0.00 -1.42 0.31 0.00 -1.06 0.00 0.00 42.46 40.29 1r44 s ILE 155 CO 0.00 0.48 1.01 -0.94 -0.10 0.00 0.00 174.94 175.39 1r44 s SER 156 N -0.26 0.25 0.25 3.58 1.04 -1.26 -4.73 113.70 112.57 1r44 s SER 156 Ca 0.02 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.46 1r44 s SER 156 Cb -0.10 -1.45 0.29 0.00 0.10 0.00 0.00 66.02 64.86 1r44 s SER 156 CO 0.01 -4.58 1.61 0.00 0.98 0.00 0.00 173.24 171.26 1r44 h ASN 158 N 0.27 -0.09 -0.44 0.00 2.35 -1.96 -0.24 115.58 115.47 1r44 h ASN 158 Ca 0.01 -0.36 0.06 0.00 -0.55 0.00 0.00 56.30 55.46 1r44 h ASN 158 Cb 0.97 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 1r44 h ASN 158 CO 0.08 0.33 0.14 -0.33 -1.65 0.00 0.00 177.43 176.00 1r44 h GLU 159 N -0.53 0.29 -0.73 0.81 5.08 -1.74 0.48 114.58 118.24 1r44 h GLU 159 Ca -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1r44 h GLU 159 Cb 0.45 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1r44 h GLU 159 CO 0.02 0.20 0.30 0.00 -1.00 0.00 0.00 179.01 178.53 1r44 h ALA 160 N 1.29 0.95 -0.62 3.43 0.00 -1.21 -1.33 119.26 121.77 1r44 h ALA 160 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1r44 h ALA 160 Cb 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1r44 h ALA 160 CO -0.22 0.56 0.14 0.37 0.00 0.00 0.00 179.25 180.10 1r44 h GLN 161 N 1.05 0.98 -0.59 0.00 4.15 -0.22 -2.02 115.11 118.46 1r44 h GLN 161 Ca 0.25 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1r44 h GLN 161 Cb 0.20 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1r44 h GLN 161 CO -0.02 0.88 0.10 -0.91 -1.93 0.00 0.00 178.83 176.94 1r44 h ASN 162 N 0.93 0.93 -0.59 -0.69 2.35 0.56 -0.23 115.58 118.84 1r44 h ASN 162 Ca 0.20 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1r44 h ASN 162 Cb 0.35 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1r44 h ASN 162 CO 0.00 0.95 0.19 0.03 -1.65 0.00 0.00 177.43 176.96 1r44 h ARG 163 N 0.87 0.96 -0.55 0.81 3.08 -1.14 -1.29 114.38 117.13 1r44 h ARG 163 Ca 0.18 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1r44 h ARG 163 Cb 0.42 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1r44 h ARG 163 CO 0.01 0.82 0.08 0.00 -1.07 0.00 0.00 179.97 179.81 1r44 h ARG 164 N 0.93 0.88 -0.43 0.04 3.08 -0.97 -0.90 114.38 117.02 1r44 h ARG 164 Ca 0.21 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1r44 h ARG 164 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1r44 h ARG 164 CO -0.01 0.83 -0.14 0.00 -1.07 0.00 0.00 179.97 179.58 1r44 h ARG 165 N 0.83 0.84 0.21 0.04 3.08 -0.39 -0.34 114.38 118.66 1r44 h ARG 165 Ca 0.17 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1r44 h ARG 165 Cb 0.39 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1r44 h ARG 165 CO 0.01 0.97 -0.14 1.25 -1.07 0.00 0.00 179.97 181.00 1r44 h LEU 166 N 0.67 -0.34 -0.64 3.04 6.46 -1.15 -1.24 115.31 122.10 1r44 h LEU 166 Ca 0.10 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 1r44 h LEU 166 Cb 0.68 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.66 1r44 h LEU 166 CO 0.05 -0.22 0.32 -0.09 -0.62 0.00 0.00 178.44 177.88 1r44 h ARG 167 N -0.34 0.55 -0.67 1.25 2.43 -1.03 -1.43 114.38 115.15 1r44 h ARG 167 Ca -0.02 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1r44 h ARG 167 Cb 0.29 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1r44 h ARG 167 CO 0.01 0.37 0.18 1.03 -1.51 0.00 0.00 179.97 180.05 1r44 h SER 168 N 0.57 1.00 -0.60 -3.80 0.87 -0.91 0.17 113.55 110.85 1r44 h SER 168 Ca 0.31 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1r44 h SER 168 Cb 0.28 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1r44 h SER 168 CO -0.23 0.96 0.35 0.40 -0.53 0.00 0.00 176.83 177.78 1r44 h ILE 169 N 0.98 1.18 -0.11 2.23 2.04 -0.55 -0.44 117.51 122.84 1r44 h ILE 169 Ca 0.21 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1r44 h ILE 169 Cb 0.34 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1r44 h ILE 169 CO -0.00 0.19 -0.06 0.24 0.00 0.00 0.00 178.15 178.53 1r44 h MET 170 N 0.82 0.24 -0.87 2.37 2.86 -1.01 -2.86 114.93 116.47 1r44 h MET 170 Ca 0.22 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1r44 h MET 170 Cb 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1r44 h MET 170 CO -0.04 0.58 0.54 0.93 1.06 0.00 0.00 176.91 179.99 1r44 h GLU 171 N -0.11 1.18 0.00 1.72 5.08 -0.62 -0.63 114.58 121.20 1r44 h GLU 171 Ca 0.03 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1r44 h GLU 171 Cb 0.51 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1r44 h GLU 171 CO 0.02 0.81 0.00 0.09 -1.00 0.00 0.00 179.01 178.93 1r44 n ASN 172 N -4.43 0.00 -0.07 1.42 3.02 -0.18 -3.02 115.26 112.00 1r44 n ASN 172 Ca 0.09 -0.44 0.05 0.00 -0.03 0.00 0.00 54.58 54.25 1r44 n ASN 172 Cb 0.04 -0.08 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.08 2.22 0.00 6.41 7.64 -0.54 -4.97 113.62 123.30 1r44 n SER 173 Ca 0.13 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1r44 n SER 173 Cb 0.09 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.90 0.89 3.76 0.23 0.00 -1.12 -4.75 105.19 103.29 1r44 n GLY 174 Ca 0.08 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 2.82 -0.07 1.61 0.40 -0.36 -0.48 117.98 119.90 1r44 s PHE 175 Ca 0.00 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1r44 s PHE 175 Cb 0.00 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1r44 s PHE 175 CO 0.00 0.40 -0.24 -2.00 0.70 0.00 0.00 175.22 174.08 1r44 s GLU 176 N -3.84 2.69 0.52 0.44 2.56 0.18 -4.02 118.70 117.23 1r44 s GLU 176 Ca 0.36 -0.88 -0.09 0.00 0.00 0.00 0.00 54.97 54.37 1r44 s GLU 176 Cb -0.05 -2.18 0.12 0.00 2.00 0.00 0.00 34.13 34.02 1r44 s GLU 176 CO 0.23 0.29 0.70 0.00 -0.56 0.00 0.00 175.26 175.93 1r44 n ALA 177 N 3.19 -0.79 -3.73 6.30 0.00 -1.26 -1.11 120.51 123.10 1r44 n ALA 177 Ca -0.18 -0.93 -0.14 0.00 0.00 0.00 0.00 53.44 52.19 1r44 n ALA 177 Cb 0.52 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.52 -0.20 0.41 0.00 5.04 -1.20 -4.80 117.35 114.07 1r44 s TYR 178 Ca 0.40 0.56 0.09 0.00 -2.44 0.00 0.00 57.07 55.68 1r44 s TYR 178 Cb -0.01 -0.08 0.85 0.00 0.35 0.00 0.00 41.96 43.06 1r44 s TYR 178 CO 0.28 -0.20 2.00 0.66 -1.34 0.00 0.00 175.55 176.95 1r44 h SER 179 N 7.40 0.34 1.42 4.32 4.64 -1.98 -3.02 113.55 126.67 1r44 h SER 179 Ca -0.38 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1r44 h SER 179 Cb 1.14 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1r44 h SER 179 CO 0.38 0.35 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.53 1r44 h LEU 180 N 0.37 0.00 -7.09 5.97 3.38 -1.94 0.33 115.31 116.34 1r44 h LEU 180 Ca 0.09 -0.03 -0.47 0.00 0.09 0.00 0.00 57.88 57.56 1r44 h LEU 180 Cb 0.14 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.48 1r44 h LEU 180 CO -0.00 0.01 -0.75 -1.61 0.09 0.00 0.00 178.44 176.18 1r44 s GLU 181 N -3.11 0.16 0.61 1.13 2.02 -1.14 -3.16 118.70 115.21 1r44 s GLU 181 Ca 0.10 -0.14 0.40 0.00 0.02 0.00 0.00 54.97 55.35 1r44 s GLU 181 Cb 0.12 -1.88 2.09 0.00 0.10 0.00 0.00 34.13 34.56 1r44 s GLU 181 CO 0.62 -0.67 2.23 0.11 0.02 0.00 0.00 175.26 177.57 1r44 h TRP 182 N 8.39 0.00 0.00 1.61 5.08 -1.39 -2.77 115.95 126.87 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 0.17 0.00 -0.72 0.11 -1.28 0.00 0.00 178.44 176.73 1r44 h TRP 183 N 0.00 0.00 -3.38 0.12 0.09 -1.86 -3.46 115.95 107.47 1r44 h TRP 183 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.42 1r44 h TRP 183 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 29.32 1r44 h TRP 183 CO 0.00 0.00 0.10 -1.58 0.09 0.00 0.00 178.44 177.05 1r44 s HIS 184 N -3.26 3.64 -0.08 0.12 2.46 -1.05 -2.44 115.29 114.69 1r44 s HIS 184 Ca 0.03 1.32 -0.06 0.00 0.47 0.00 0.00 55.06 56.83 1r44 s HIS 184 Cb 0.11 -2.79 0.03 0.00 -0.13 0.00 0.00 32.58 29.79 1r44 s HIS 184 CO 0.74 0.18 0.21 0.71 -2.47 0.00 0.00 174.74 174.11 1r44 s TYR 185 N 0.41 -0.24 0.00 3.88 1.51 -0.72 -3.25 117.35 118.94 1r44 s TYR 185 Ca 0.37 0.60 0.08 0.00 -1.01 0.00 0.00 57.07 57.11 1r44 s TYR 185 Cb -0.19 0.05 -0.02 0.00 -0.11 0.00 0.00 41.96 41.69 1r44 s TYR 185 CO 0.20 -0.14 -0.24 0.08 -1.11 0.00 0.00 175.55 174.33 1r44 s VAL 186 N 0.50 1.95 0.21 0.71 1.01 -0.26 -0.64 120.40 123.87 1r44 s VAL 186 Ca -0.03 -1.13 -0.31 0.00 0.00 0.00 0.00 61.98 60.51 1r44 s VAL 186 Cb -0.05 -1.63 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 1r44 s VAL 186 CO -0.03 0.48 1.59 -0.22 0.00 0.00 0.00 175.10 176.92 1r44 s LEU 187 N -0.76 4.37 0.09 3.92 2.96 -0.15 0.52 118.68 129.62 1r44 s LEU 187 Ca 0.10 2.75 -0.22 0.00 -0.22 0.00 0.00 54.13 56.54 1r44 s LEU 187 Cb -0.09 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 1r44 s LEU 187 CO -0.00 -0.86 1.70 -0.09 -1.32 0.00 0.00 176.35 175.78 1r44 h ARG 188 N 6.16 0.14 -3.39 1.98 2.43 -1.07 -3.33 114.38 117.31 1r44 h ARG 188 Ca -0.44 -0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.07 1r44 h ARG 188 Cb 1.21 -0.03 -0.41 0.00 -0.42 0.00 0.00 29.97 30.32 1r44 h ARG 188 CO 0.88 0.16 -0.61 -0.51 -1.51 0.00 0.00 179.97 178.39 1r44 s ASP 189 N -5.37 4.40 0.10 -3.80 1.01 -1.26 -5.04 116.67 106.71 1r44 s ASP 189 Ca -0.13 -3.03 -0.14 0.00 0.71 0.00 0.00 52.55 49.95 1r44 s ASP 189 Cb 0.07 -1.66 -0.07 0.00 1.01 0.00 0.00 42.92 42.28 1r44 s ASP 189 CO 0.68 -0.24 0.51 -1.83 0.21 0.00 0.00 175.17 174.50 1r44 s GLU 190 N -0.32 3.97 0.50 8.23 -1.05 -1.25 -4.99 118.70 123.79 1r44 s GLU 190 Ca 0.17 0.47 0.15 0.00 -0.15 0.00 0.00 54.97 55.62 1r44 s GLU 190 Cb -0.25 -3.03 1.21 0.00 -0.44 0.00 0.00 34.13 31.62 1r44 s GLU 190 CO -0.01 0.55 2.12 -1.00 0.95 0.00 0.00 175.26 177.87 1r44 h PRO 191 N 3.91 0.10 -2.14 -4.83 0.13 -1.95 -3.33 132.00 123.89 1r44 h PRO 191 Ca -0.49 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 1r44 h PRO 191 Cb 1.20 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 1r44 h PRO 191 CO 0.65 0.06 -0.94 0.66 -0.23 0.00 0.00 178.00 178.20 1r44 n TYR 192 N -4.51 0.73 -1.33 1.56 4.02 -1.26 -5.06 117.16 111.30 1r44 n TYR 192 Ca -0.01 -3.71 -0.30 0.00 -0.01 0.00 0.00 57.90 53.87 1r44 n TYR 192 Cb 0.14 -0.35 0.12 0.00 -0.02 0.00 0.00 39.34 39.23 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 -1.38 1.64 0.00 -0.72 0.04 -1.25 -3.39 135.00 129.94 1r44 s PRO 193 Ca 0.36 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1r44 s PRO 193 Cb 0.14 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1r44 s PRO 193 CO -0.10 -1.97 0.00 0.09 0.04 0.00 0.00 177.00 175.06 1r44 n ASN 194 N -3.69 0.00 -4.31 6.66 3.02 -1.26 -4.91 115.26 110.76 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 -1.99 -0.13 0.00 -0.61 0.00 0.00 39.78 37.60 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 -2.06 5.03 -0.36 6.41 0.01 -1.22 -5.07 113.70 116.44 1r44 s SER 195 Ca 0.00 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 1r44 s SER 195 Cb 0.00 -1.85 0.08 0.00 0.21 0.00 0.00 66.02 64.46 1r44 s SER 195 CO 0.00 -0.20 0.12 -0.31 0.41 0.00 0.00 173.24 173.26 1r44 s TYR 196 N 1.46 3.43 0.65 2.43 1.51 -1.26 -3.83 117.35 121.73 1r44 s TYR 196 Ca 0.02 -2.10 -0.11 0.00 -1.01 0.00 0.00 57.07 53.87 1r44 s TYR 196 Cb -0.17 -2.71 -0.01 0.00 -0.11 0.00 0.00 41.96 38.95 1r44 s TYR 196 CO 0.01 -0.88 1.04 -0.06 -1.11 0.00 0.00 175.55 174.55 1r44 s PHE 197 N 1.21 3.48 -0.03 2.71 0.40 0.27 -4.88 117.98 121.14 1r44 s PHE 197 Ca 0.02 1.13 0.22 0.00 -0.60 0.00 0.00 56.93 57.70 1r44 s PHE 197 Cb -0.21 -2.84 0.38 0.00 0.51 0.00 0.00 43.02 40.86 1r44 s PHE 197 CO -0.02 -0.88 1.15 -3.47 0.70 0.00 0.00 175.22 172.70 1r44 n ASP 198 N -2.82 0.76 -4.84 1.36 2.03 -1.26 -1.79 116.55 109.99 1r44 n ASP 198 Ca 0.06 -2.01 -0.33 0.00 0.52 0.00 0.00 54.79 53.04 1r44 n ASP 198 Cb 0.56 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.40 3.35 0.64 -0.67 -0.12 -1.26 -4.81 117.98 114.72 1r44 s PHE 199 Ca 0.29 1.40 -0.13 0.00 -0.05 0.00 0.00 56.93 58.43 1r44 s PHE 199 Cb 0.33 -2.68 -0.01 0.00 -0.63 0.00 0.00 43.02 40.03 1r44 s PHE 199 CO -0.13 -0.02 1.06 -2.14 -0.05 0.00 0.00 175.22 173.93 1r44 s PRO 200 N -3.15 3.11 -0.66 1.99 0.02 -1.26 -4.56 135.00 130.50 1r44 s PRO 200 Ca 0.58 1.10 -0.25 0.00 0.02 0.00 0.00 61.00 62.45 1r44 s PRO 200 Cb -0.10 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.46 1r44 s PRO 200 CO 0.17 -0.97 1.08 0.08 -0.33 0.00 0.00 177.00 177.03 1r44 s VAL 201 N -2.72 4.12 0.00 3.83 1.01 0.25 -4.97 120.40 121.91 1r44 s VAL 201 Ca 0.61 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1r44 s VAL 201 Cb -0.15 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1r44 s VAL 201 CO 0.45 -1.52 0.00 1.17 0.00 0.00 0.00 175.10 175.21