#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h n ASP 2 N 0.00 0.00 0.08 1.61 8.00 -1.26 -4.88 116.55 120.10 1u3h n ASP 2 Ca 0.00 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1u3h n ASP 2 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1u3h n ASP 2 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1u3h n SER 3 N -1.12 0.37 -2.40 -2.24 3.41 -1.26 -4.90 113.62 105.48 1u3h n SER 3 Ca 0.00 0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.60 1u3h n SER 3 Cb 0.00 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1u3h n SER 3 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1u3h n GLU 4 N -3.30 3.44 -3.38 4.33 0.00 -1.26 -4.94 120.64 115.51 1u3h n GLU 4 Ca 0.00 -4.40 -0.45 0.00 0.00 0.00 0.00 57.16 52.31 1u3h n GLU 4 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 31.44 29.16 1u3h n GLU 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1u3h s ARG 5 N -3.57 3.56 0.07 5.31 0.52 -1.26 -5.04 118.95 118.53 1u3h s ARG 5 Ca 0.49 -2.60 -0.20 0.00 -0.52 0.00 0.00 55.73 52.90 1u3h s ARG 5 Cb 0.40 -4.36 -0.07 0.00 0.52 0.00 0.00 34.95 31.45 1u3h s ARG 5 CO -0.15 -1.27 0.61 -1.58 0.02 0.00 0.00 175.30 172.92 1u3h s HIS 6 N -0.10 3.79 -0.03 -0.53 2.46 -1.26 -4.69 115.29 114.94 1u3h s HIS 6 Ca 0.20 1.31 0.02 0.00 0.47 0.00 0.00 55.06 57.05 1u3h s HIS 6 Cb -0.11 -2.56 0.01 0.00 -0.13 0.00 0.00 32.58 29.78 1u3h s HIS 6 CO -0.08 0.52 -0.06 -0.06 -2.47 0.00 0.00 174.74 172.59 1u3h s PHE 7 N -0.90 0.75 0.11 3.88 0.08 -1.26 -5.13 117.98 115.51 1u3h s PHE 7 Ca 0.30 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 1u3h s PHE 7 Cb -0.20 -0.57 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 1u3h s PHE 7 CO 0.20 -0.10 0.19 0.54 -0.10 0.00 0.00 175.22 175.94 1u3h s VAL 8 N 0.35 0.12 0.07 -0.44 0.11 -1.26 -5.13 120.40 114.22 1u3h s VAL 8 Ca -0.05 -1.36 0.03 0.00 -2.93 0.00 0.00 61.98 57.67 1u3h s VAL 8 Cb -0.09 -1.58 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1u3h s VAL 8 CO 0.00 -0.55 -0.09 0.68 -3.33 0.00 0.00 175.10 171.81 1u3h s VAL 9 N -3.92 0.75 -0.03 2.04 -7.23 -1.14 -3.67 120.40 107.20 1u3h s VAL 9 Ca 0.11 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1u3h s VAL 9 Cb 0.05 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.98 1u3h s VAL 9 CO -0.06 -0.47 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.09 1u3h s GLN 10 N -2.22 0.89 -0.17 4.82 -0.21 -0.70 -5.01 119.66 117.06 1u3h s GLN 10 Ca -0.02 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1u3h s GLN 10 Cb -0.06 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.11 1u3h s GLN 10 CO -0.00 0.04 -0.15 0.12 -2.12 0.00 0.00 175.29 173.17 1u3h s PHE 11 N 0.44 2.79 -0.36 0.91 5.36 -1.26 -0.69 117.98 125.16 1u3h s PHE 11 Ca -0.06 -1.17 0.01 0.00 -0.96 0.00 0.00 56.93 54.75 1u3h s PHE 11 Cb -0.10 -1.91 0.11 0.00 -0.34 0.00 0.00 43.02 40.78 1u3h s PHE 11 CO 0.01 -0.56 0.15 -0.65 -1.46 0.00 0.00 175.22 172.71 1u3h s GLN 12 N 0.98 1.00 0.30 10.12 -0.21 -0.57 -5.00 119.66 126.28 1u3h s GLN 12 Ca -0.02 -1.51 -0.23 0.00 0.02 0.00 0.00 55.36 53.61 1u3h s GLN 12 Cb -0.15 -2.22 -0.09 0.00 1.00 0.00 0.00 33.01 31.55 1u3h s GLN 12 CO -0.03 -1.05 0.86 -1.25 -2.12 0.00 0.00 175.29 171.70 1u3h s PRO 13 N 1.05 4.42 -0.05 2.91 0.04 -1.26 -1.75 135.00 140.37 1u3h s PRO 13 Ca 0.13 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.30 1u3h s PRO 13 Cb -0.20 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.59 1u3h s PRO 13 CO -0.13 0.29 -0.01 -0.06 0.04 0.00 0.00 177.00 177.13 1u3h s PHE 14 N -1.64 0.53 -0.50 0.56 0.08 0.26 -4.99 117.98 112.28 1u3h s PHE 14 Ca 0.49 -0.09 -0.03 0.00 0.12 0.00 0.00 56.93 57.42 1u3h s PHE 14 Cb -0.17 -0.61 0.13 0.00 -0.57 0.00 0.00 43.02 41.80 1u3h s PHE 14 CO 0.22 -0.22 0.30 0.00 -0.10 0.00 0.00 175.22 175.42 1u3h s TYR 16 N 0.58 3.14 -0.15 0.00 2.02 -0.46 -4.96 117.35 117.51 1u3h s TYR 16 Ca 0.12 0.80 -0.05 0.00 -0.37 0.00 0.00 57.07 57.57 1u3h s TYR 16 Cb -0.22 -3.45 -0.04 0.00 -0.40 0.00 0.00 41.96 37.85 1u3h s TYR 16 CO -0.04 -0.71 0.02 -0.06 -1.57 0.00 0.00 175.55 173.20 1u3h s PHE 17 N 3.24 3.18 -0.12 2.71 0.08 -1.26 -1.83 117.98 123.98 1u3h s PHE 17 Ca 0.36 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.43 1u3h s PHE 17 Cb -0.13 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1u3h s PHE 17 CO 0.16 0.20 -0.14 0.99 -0.10 0.00 0.00 175.22 176.32 1u3h s THR 18 N 0.03 1.46 -0.60 0.64 2.01 -0.27 -4.84 115.64 114.07 1u3h s THR 18 Ca 0.04 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1u3h s THR 18 Cb -0.13 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1u3h s THR 18 CO 0.02 0.44 0.65 -3.20 -0.69 0.00 0.00 174.62 171.83 1u3h n ASN 19 N 4.49 -7.12 0.00 3.53 2.85 -1.26 -2.52 115.26 115.23 1u3h n ASN 19 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1u3h n ASN 19 Cb 0.51 -4.32 0.00 0.00 1.24 0.00 0.00 39.78 37.20 1u3h n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1u3h n GLY 20 N -1.02 3.89 0.76 8.20 0.00 -1.26 -1.30 105.19 114.46 1u3h n GLY 20 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1u3h n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u3h n THR 21 N 0.00 1.29 0.01 2.61 -2.24 -1.26 -4.58 114.28 110.11 1u3h n THR 21 Ca 0.00 -1.18 0.20 0.00 -2.27 0.00 0.00 64.05 60.81 1u3h n THR 21 Cb 0.00 0.34 0.70 0.00 -2.10 0.00 0.00 70.33 69.27 1u3h n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1u3h h GLN 22 N 2.17 0.00 -2.88 -0.78 4.20 -1.26 -3.38 115.11 113.18 1u3h h GLN 22 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1u3h h GLN 22 Cb 0.91 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.38 1u3h h GLN 22 CO 0.05 0.00 -0.50 0.50 -0.67 0.00 0.00 178.83 178.22 1u3h s ARG 23 N -4.96 0.19 0.04 1.46 3.52 -1.05 -5.04 118.95 113.11 1u3h s ARG 23 Ca -0.05 0.70 0.07 0.00 -0.13 0.00 0.00 55.73 56.33 1u3h s ARG 23 Cb 0.19 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 1u3h s ARG 23 CO 0.71 -0.24 -0.21 0.42 -0.81 0.00 0.00 175.30 175.17 1u3h s ILE 24 N 2.03 1.67 -0.08 4.11 1.01 -1.26 -1.11 121.20 127.57 1u3h s ILE 24 Ca -0.03 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1u3h s ILE 24 Cb -0.11 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1u3h s ILE 24 CO -0.09 0.20 -0.07 -0.60 0.00 0.00 0.00 174.94 174.37 1u3h s ARG 25 N -1.20 1.32 -0.23 2.79 3.52 -0.76 -4.99 118.95 119.41 1u3h s ARG 25 Ca 0.07 -0.23 -0.06 0.00 -0.13 0.00 0.00 55.73 55.39 1u3h s ARG 25 Cb -0.09 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 31.98 1u3h s ARG 25 CO 0.02 -0.14 0.03 -0.47 -0.81 0.00 0.00 175.30 173.92 1u3h s TYR 26 N 1.25 3.05 -0.08 5.12 5.04 -1.26 -1.36 117.35 129.10 1u3h s TYR 26 Ca -0.04 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.06 1u3h s TYR 26 Cb -0.14 -2.17 0.01 0.00 0.35 0.00 0.00 41.96 40.01 1u3h s TYR 26 CO -0.02 -0.38 -0.15 0.08 -1.34 0.00 0.00 175.55 173.74 1u3h s VAL 27 N 1.45 1.38 -0.25 3.14 1.01 -0.09 -0.98 120.40 126.06 1u3h s VAL 27 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1u3h s VAL 27 Cb -0.15 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 35.03 1u3h s VAL 27 CO 0.01 0.41 -0.09 -0.89 0.00 0.00 0.00 175.10 174.55 1u3h s THR 28 N 0.72 2.49 -0.15 3.92 2.01 -0.33 0.91 115.64 125.20 1u3h s THR 28 Ca -0.13 -1.34 -0.07 0.00 0.31 0.00 0.00 61.69 60.46 1u3h s THR 28 Cb -0.16 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1u3h s THR 28 CO 0.03 0.09 0.08 -0.13 -0.69 0.00 0.00 174.62 174.00 1u3h s ARG 29 N 1.21 3.71 -0.36 4.92 0.52 -0.72 -1.14 118.95 127.10 1u3h s ARG 29 Ca -0.04 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1u3h s ARG 29 Cb -0.18 -3.16 0.07 0.00 0.52 0.00 0.00 34.95 32.20 1u3h s ARG 29 CO -0.05 0.46 0.12 0.71 0.02 0.00 0.00 175.30 176.56 1u3h s TYR 30 N -0.16 3.37 -0.02 -0.53 1.51 0.04 -1.50 117.35 120.07 1u3h s TYR 30 Ca 0.08 -1.89 -0.01 0.00 -1.01 0.00 0.00 57.07 54.24 1u3h s TYR 30 Cb -0.12 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 1u3h s TYR 30 CO 0.01 -0.84 0.09 0.42 -1.11 0.00 0.00 175.55 174.12 1u3h s ILE 31 N 1.28 4.84 0.00 2.71 1.09 0.14 -0.98 121.20 130.27 1u3h s ILE 31 Ca 0.01 -0.32 0.00 0.00 -1.10 0.00 0.00 60.65 59.24 1u3h s ILE 31 Cb -0.21 -3.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 1u3h s ILE 31 CO -0.01 0.39 0.00 0.00 -0.10 0.00 0.00 174.94 175.22 1u3h n TYR 32 N 1.29 0.00 -0.10 3.97 9.36 0.57 -1.73 117.16 130.52 1u3h n TYR 32 Ca -0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.95 1u3h n TYR 32 Cb 0.53 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.19 1u3h n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1u3h n ASN 33 N -0.96 1.92 0.00 2.98 3.02 -1.24 -2.89 115.26 118.09 1u3h n ASN 33 Ca 0.00 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1u3h n ASN 33 Cb 0.00 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1u3h n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1u3h n ARG 34 N -4.43 0.00 -3.56 3.52 3.00 -1.26 -4.79 116.66 109.13 1u3h n ARG 34 Ca -0.23 -0.07 -0.38 0.00 -0.00 0.00 0.00 57.85 57.17 1u3h n ARG 34 Cb 0.58 -0.29 -0.10 0.00 0.00 0.00 0.00 32.46 32.65 1u3h n ARG 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1u3h s GLU 35 N 0.00 4.04 -0.51 -0.14 2.12 -1.26 -5.05 118.70 117.90 1u3h s GLU 35 Ca 0.00 -0.17 -0.28 0.00 0.36 0.00 0.00 54.97 54.88 1u3h s GLU 35 Cb 0.00 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.83 1u3h s GLU 35 CO 0.00 -0.08 1.10 -2.00 -0.54 0.00 0.00 175.26 173.74 1u3h s GLU 36 N 1.47 3.61 -0.19 4.30 2.12 -1.26 -0.31 118.70 128.44 1u3h s GLU 36 Ca 0.10 0.36 0.18 0.00 0.36 0.00 0.00 54.97 55.97 1u3h s GLU 36 Cb -0.15 -3.95 -0.25 0.00 0.26 0.00 0.00 34.13 30.04 1u3h s GLU 36 CO 0.08 -1.44 0.11 2.48 -0.54 0.00 0.00 175.26 175.94 1u3h n TYR 37 N 7.86 0.03 -4.20 5.30 0.18 -0.15 -4.19 117.16 122.00 1u3h n TYR 37 Ca 0.09 0.01 -0.17 0.00 1.88 0.00 0.00 57.90 59.71 1u3h n TYR 37 Cb 0.49 -0.98 -0.12 0.00 -0.38 0.00 0.00 39.34 38.34 1u3h n TYR 37 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1u3h s LEU 38 N -5.47 2.22 -0.18 -3.48 2.96 -1.12 0.18 118.68 113.80 1u3h s LEU 38 Ca -0.10 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.16 1u3h s LEU 38 Cb 0.06 -0.45 0.05 0.00 0.50 0.00 0.00 46.19 46.36 1u3h s LEU 38 CO 0.83 -0.06 0.47 -0.60 -1.32 0.00 0.00 176.35 175.67 1u3h s ARG 39 N -1.40 0.51 -0.10 1.98 3.52 -0.97 -0.78 118.95 121.71 1u3h s ARG 39 Ca -0.02 0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 56.30 1u3h s ARG 39 Cb -0.09 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.42 1u3h s ARG 39 CO 0.01 -0.11 0.04 0.12 -0.81 0.00 0.00 175.30 174.56 1u3h s PHE 40 N 0.80 3.27 -0.15 5.12 5.36 -0.29 -2.41 117.98 129.69 1u3h s PHE 40 Ca -0.04 0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 56.15 1u3h s PHE 40 Cb -0.05 -1.84 0.06 0.00 -0.34 0.00 0.00 43.02 40.85 1u3h s PHE 40 CO -0.06 0.51 0.14 0.34 -1.46 0.00 0.00 175.22 174.70 1u3h s ASP 41 N -0.84 1.58 0.49 6.13 -1.08 -1.25 -1.19 116.67 120.51 1u3h s ASP 41 Ca 0.13 -0.22 0.22 0.00 -0.52 0.00 0.00 52.55 52.16 1u3h s ASP 41 Cb -0.12 0.07 1.26 0.00 -1.46 0.00 0.00 42.92 42.68 1u3h s ASP 41 CO 0.03 -0.31 1.95 0.77 0.52 0.00 0.00 175.17 178.13 1u3h h SER 42 N 8.38 0.17 0.08 -0.34 4.64 -1.42 1.55 113.55 126.60 1u3h h SER 42 Ca -0.15 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1u3h h SER 42 Cb 1.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1u3h h SER 42 CO 0.24 0.08 -0.04 0.44 -0.87 0.00 0.00 176.83 176.69 1u3h h ASP 43 N 0.18 -0.09 1.06 4.97 3.32 -1.94 -2.42 116.42 121.50 1u3h h ASP 43 Ca 0.32 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 1u3h h ASP 43 Cb 1.03 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1u3h h ASP 43 CO -0.05 -0.06 -0.46 0.58 -1.72 0.00 0.00 179.24 177.53 1u3h h VAL 44 N -0.12 0.93 -0.34 -1.35 2.07 -1.31 -3.47 116.25 112.66 1u3h h VAL 44 Ca -0.01 -1.87 -0.15 0.00 0.82 0.00 0.00 66.70 65.49 1u3h h VAL 44 Cb 0.09 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1u3h h VAL 44 CO 0.02 0.45 -0.13 0.61 0.02 0.00 0.00 177.57 178.53 1u3h n GLY 45 N 0.63 0.87 3.34 2.17 0.00 0.51 -4.99 105.19 107.72 1u3h n GLY 45 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1u3h n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u3h s GLU 46 N -2.26 0.92 -1.16 1.61 2.12 -1.24 -4.99 118.70 113.70 1u3h s GLU 46 Ca 0.00 -0.26 -0.18 0.00 0.36 0.00 0.00 54.97 54.89 1u3h s GLU 46 Cb 0.00 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 1u3h s GLU 46 CO 0.00 -0.31 2.02 0.66 -0.54 0.00 0.00 175.26 177.10 1u3h n TYR 47 N 0.64 3.00 -2.72 5.30 4.01 -1.26 -3.84 117.16 122.29 1u3h n TYR 47 Ca -0.19 -2.38 -0.38 0.00 -0.16 0.00 0.00 57.90 54.79 1u3h n TYR 47 Cb 0.59 -2.27 -0.06 0.00 -0.31 0.00 0.00 39.34 37.29 1u3h n TYR 47 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1u3h s ARG 48 N 4.32 4.65 0.22 -0.72 0.52 -1.01 -4.57 118.95 122.37 1u3h s ARG 48 Ca 0.54 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.90 1u3h s ARG 48 Cb 0.11 -2.99 -0.08 0.00 0.52 0.00 0.00 34.95 32.51 1u3h s ARG 48 CO 0.03 0.32 1.05 0.00 0.02 0.00 0.00 175.30 176.72 1u3h s ALA 49 N -1.42 3.37 -0.12 2.13 0.00 -1.26 -2.29 121.76 122.17 1u3h s ALA 49 Ca 0.47 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1u3h s ALA 49 Cb -0.23 -3.30 -0.26 0.00 0.00 0.00 0.00 23.12 19.32 1u3h s ALA 49 CO 0.29 -0.08 0.58 0.28 0.00 0.00 0.00 175.76 176.83 1u3h h VAL 50 N 3.41 1.21 -3.43 0.00 2.07 -0.54 -3.47 116.25 115.51 1u3h h VAL 50 Ca -0.45 -2.37 -0.45 0.00 0.82 0.00 0.00 66.70 64.25 1u3h h VAL 50 Cb 1.21 2.82 -0.14 0.00 -1.52 0.00 0.00 31.29 33.66 1u3h h VAL 50 CO 0.70 0.62 -0.56 0.42 0.02 0.00 0.00 177.57 178.76 1u3h s THR 51 N -2.40 0.56 0.15 2.57 -4.23 -1.10 -5.01 115.64 106.17 1u3h s THR 51 Ca -0.20 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.02 1u3h s THR 51 Cb 0.03 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1u3h s THR 51 CO 0.73 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 176.30 1u3h h GLU 52 N 2.11 -0.35 -1.50 3.99 4.22 -1.94 -0.24 114.58 120.87 1u3h h GLU 52 Ca -0.36 0.02 0.44 0.00 0.08 0.00 0.00 59.36 59.54 1u3h h GLU 52 Cb 1.25 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1u3h h GLU 52 CO 0.57 -0.23 1.28 1.25 -2.18 0.00 0.00 179.01 179.69 1u3h h LEU 53 N -0.36 0.00 -3.11 1.64 6.46 -1.97 1.05 115.31 119.01 1u3h h LEU 53 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1u3h h LEU 53 Cb 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1u3h h LEU 53 CO -0.57 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 177.86 1u3h n GLY 54 N -1.82 2.82 0.13 3.75 0.00 -0.11 -4.57 105.19 105.39 1u3h n GLY 54 Ca 0.34 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 1u3h n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1u3h h ARG 55 N 3.87 0.24 0.00 1.61 9.65 0.12 -2.88 114.38 126.98 1u3h h ARG 55 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1u3h h ARG 55 Cb 1.39 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 1u3h h ARG 55 CO 0.21 0.16 0.00 -2.30 2.80 0.00 0.00 179.97 180.83 1u3h n PRO 56 N -5.01 0.02 -0.10 0.20 -0.02 -1.26 -3.75 135.00 125.09 1u3h n PRO 56 Ca -0.01 0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.67 1u3h n PRO 56 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 1u3h n PRO 56 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1u3h n ASP 57 N -1.45 1.03 -0.08 2.55 8.00 -1.09 -4.67 116.55 120.83 1u3h n ASP 57 Ca 0.02 -0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.49 1u3h n ASP 57 Cb 0.08 0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 1u3h n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u3h n ALA 58 N -2.96 -0.13 0.04 2.24 0.00 -1.25 -0.68 120.51 117.78 1u3h n ALA 58 Ca -0.37 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1u3h n ALA 58 Cb 1.07 0.35 -0.09 0.00 0.00 0.00 0.00 19.45 20.79 1u3h n ALA 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u3h h GLU 59 N 0.00 -0.58 -0.50 0.00 4.81 -1.85 -0.86 114.58 115.60 1u3h h GLU 59 Ca 0.03 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1u3h h GLU 59 Cb 0.08 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.50 1u3h h GLU 59 CO -0.19 -0.38 -0.09 -0.92 -0.73 0.00 0.00 179.01 176.70 1u3h h TYR 60 N -0.60 -0.21 -0.72 0.92 3.20 -1.77 -1.11 116.97 116.68 1u3h h TYR 60 Ca 0.02 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1u3h h TYR 60 Cb 0.65 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 1u3h h TYR 60 CO -0.52 -0.19 0.47 1.88 -1.64 0.00 0.00 178.16 178.16 1u3h h TYR 61 N 0.03 0.90 0.00 -3.82 -1.99 -0.50 0.20 116.97 111.79 1u3h h TYR 61 Ca 0.24 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.93 1u3h h TYR 61 Cb 0.37 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1u3h h TYR 61 CO -0.40 0.56 -0.32 -0.91 -0.00 0.00 0.00 178.16 177.09 1u3h h ASN 62 N 0.96 0.00 0.00 3.88 2.35 -0.54 0.12 115.58 122.36 1u3h h ASN 62 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1u3h h ASN 62 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1u3h h ASN 62 CO -0.06 0.32 0.00 0.29 -1.65 0.00 0.00 177.43 176.33 1u3h n LYS 63 N -3.90 0.00 -0.10 0.81 5.02 -0.48 -3.14 118.16 116.38 1u3h n LYS 63 Ca -0.02 0.35 0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1u3h n LYS 63 Cb 0.39 -1.08 0.37 0.00 -0.02 0.00 0.00 35.03 34.70 1u3h n LYS 63 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1u3h h GLN 64 N 0.00 0.67 0.00 1.97 1.08 -1.05 -3.38 115.11 114.40 1u3h h GLN 64 Ca 0.00 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1u3h h GLN 64 Cb 0.00 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1u3h h GLN 64 CO 0.00 0.45 -1.16 0.66 -0.95 0.00 0.00 178.83 177.83 1u3h n TYR 67 N -4.46 0.00 -0.18 2.96 4.01 0.39 -4.80 117.16 115.08 1u3h n TYR 67 Ca 0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 1u3h n TYR 67 Cb 0.12 -0.11 0.06 0.00 -0.31 0.00 0.00 39.34 39.10 1u3h n TYR 67 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1u3h n LEU 68 N -2.03 -0.21 -0.11 7.72 0.00 -0.96 0.93 117.00 122.35 1u3h n LEU 68 Ca -0.03 0.84 -0.12 0.00 0.00 0.00 0.00 56.01 56.70 1u3h n LEU 68 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.70 1u3h n LEU 68 CO 0.05 -0.80 0.58 -0.08 0.00 0.00 0.00 177.39 177.14 1u3h h GLU 69 N 0.00 0.89 -0.07 1.96 4.81 -1.86 -1.98 114.58 118.33 1u3h h GLU 69 Ca 0.22 -0.45 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 1u3h h GLU 69 Cb 0.34 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1u3h h GLU 69 CO -0.50 1.10 -0.37 0.00 -0.73 0.00 0.00 179.01 178.51 1u3h h ARG 70 N 0.73 0.14 0.00 1.92 3.08 0.25 -2.98 114.38 117.52 1u3h h ARG 70 Ca 0.07 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1u3h h ARG 70 Cb 0.94 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1u3h h ARG 70 CO 0.09 0.49 -0.00 1.15 -1.07 0.00 0.00 179.97 180.63 1u3h h THR 71 N 0.12 1.75 -0.97 2.04 2.02 -1.11 -3.20 112.91 113.55 1u3h h THR 71 Ca 0.01 -2.25 0.25 0.00 0.77 0.00 0.00 66.41 65.19 1u3h h THR 71 Cb 0.71 3.27 -0.13 0.00 -1.74 0.00 0.00 68.15 70.26 1u3h h THR 71 CO 0.05 0.58 0.53 0.03 0.37 0.00 0.00 175.52 177.08 1u3h h ARG 72 N -0.97 0.48 -0.56 6.66 3.08 -1.40 0.17 114.38 121.84 1u3h h ARG 72 Ca -0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1u3h h ARG 72 Cb 0.95 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1u3h h ARG 72 CO 0.00 0.32 0.28 0.00 -1.07 0.00 0.00 179.97 179.49 1u3h h ALA 73 N 1.74 1.43 -0.32 0.04 0.00 -1.59 -2.74 119.26 117.83 1u3h h ALA 73 Ca 0.63 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.52 1u3h h ALA 73 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1u3h h ALA 73 CO -0.51 0.45 0.38 0.93 0.00 0.00 0.00 179.25 180.50 1u3h h GLU 74 N 0.79 0.00 -0.10 0.00 5.08 -0.64 0.28 114.58 119.99 1u3h h GLU 74 Ca 0.20 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1u3h h GLU 74 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1u3h h GLU 74 CO -0.03 0.00 0.08 1.25 -1.00 0.00 0.00 179.01 179.31 1u3h h LEU 75 N 0.00 0.00 0.00 1.33 6.46 -1.56 0.84 115.31 122.38 1u3h h LEU 75 Ca 0.15 0.00 -0.41 0.00 -0.12 0.00 0.00 57.88 57.50 1u3h h LEU 75 Cb 0.91 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.77 1u3h h LEU 75 CO -0.00 0.00 -2.44 0.47 -0.62 0.00 0.00 178.44 175.85 1u3h n ASP 76 N -4.31 1.94 0.23 1.25 9.92 0.90 -1.81 116.55 124.67 1u3h n ASP 76 Ca -0.01 0.15 0.14 0.00 -0.53 0.00 0.00 54.79 54.55 1u3h n ASP 76 Cb 0.19 -0.63 0.42 0.00 -0.64 0.00 0.00 41.12 40.47 1u3h n ASP 76 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1u3h h THR 77 N -0.59 0.00 0.00 -3.53 1.35 -1.24 -2.25 112.91 106.65 1u3h h THR 77 Ca -0.62 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.53 1u3h h THR 77 Cb 1.68 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1u3h h THR 77 CO -0.28 0.00 -0.38 0.52 -0.25 0.00 0.00 175.52 175.13 1u3h n VAL 78 N -2.95 1.30 0.03 6.82 0.31 0.28 -4.61 118.33 119.51 1u3h n VAL 78 Ca 0.03 0.30 -0.01 0.00 -0.01 0.00 0.00 64.34 64.65 1u3h n VAL 78 Cb 0.41 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 1u3h n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u3h h ARG 80 N -0.10 0.68 0.31 0.00 2.43 -1.45 -2.15 114.38 114.11 1u3h h ARG 80 Ca -0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1u3h h ARG 80 Cb 0.06 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1u3h h ARG 80 CO 0.01 0.45 -0.15 -0.92 -1.51 0.00 0.00 179.97 177.85 1u3h h TYR 81 N 0.70 -0.40 -0.79 2.20 3.20 -1.49 -3.03 116.97 117.36 1u3h h TYR 81 Ca 0.36 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1u3h h TYR 81 Cb 0.32 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1u3h h TYR 81 CO -0.08 -0.25 0.44 -0.91 -1.64 0.00 0.00 178.16 175.72 1u3h h ASN 82 N -0.43 0.96 0.00 -2.11 2.35 -0.98 0.32 115.58 115.70 1u3h h ASN 82 Ca -0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1u3h h ASN 82 Cb 0.33 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1u3h h ASN 82 CO 0.07 0.77 0.00 0.00 -1.65 0.00 0.00 177.43 176.61 1u3h n TYR 83 N -4.36 0.00 0.00 1.19 4.19 -0.83 -0.21 117.16 117.15 1u3h n TYR 83 Ca 0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.29 1u3h n TYR 83 Cb 0.09 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.92 1u3h n TYR 83 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1u3h n GLU 84 N -0.60 0.00 0.00 2.98 4.07 0.11 -1.23 120.64 125.98 1u3h n GLU 84 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1u3h n GLU 84 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1u3h n GLU 84 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1u3h n THR 85 N 0.00 0.00 -0.03 6.31 -2.24 0.71 -4.73 114.28 114.30 1u3h n THR 85 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1u3h n THR 85 Cb 0.00 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.31 1u3h n THR 85 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1u3h h GLU 86 N 0.00 0.18 -0.74 -0.78 4.39 -0.40 -3.14 114.58 114.10 1u3h h GLU 86 Ca 0.00 -0.13 0.15 0.00 0.34 0.00 0.00 59.36 59.71 1u3h h GLU 86 Cb 0.96 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.49 1u3h h GLU 86 CO 0.00 0.77 -0.20 0.28 -1.16 0.00 0.00 179.01 178.70 1u3h h VAL 87 N -0.37 0.25 0.00 3.13 2.07 -1.42 0.14 116.25 120.05 1u3h h VAL 87 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1u3h h VAL 87 Cb 0.78 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1u3h h VAL 87 CO 0.03 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.81 1u3h n PRO 88 N -5.49 0.16 0.00 1.57 -0.04 -1.25 -3.87 135.00 126.09 1u3h n PRO 88 Ca 0.10 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1u3h n PRO 88 Cb 0.38 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1u3h n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u3h n THR 89 N -1.99 0.00 -0.13 0.52 -2.24 -0.01 -4.71 114.28 105.71 1u3h n THR 89 Ca 0.05 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1u3h n THR 89 Cb 0.36 -0.51 0.15 0.00 -2.10 0.00 0.00 70.33 68.23 1u3h n THR 89 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u3h h SER 90 N 0.00 0.82 0.31 3.42 4.64 -1.74 -2.22 113.55 118.77 1u3h h SER 90 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1u3h h SER 90 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1u3h h SER 90 CO 0.00 0.85 0.00 0.18 -0.87 0.00 0.00 176.83 176.99 1u3h n LEU 91 N -4.23 0.00 -0.07 5.97 4.77 -0.90 -2.54 117.00 120.00 1u3h n LEU 91 Ca 0.03 0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 1u3h n LEU 91 Cb 0.28 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1u3h n LEU 91 CO 0.41 -0.04 0.05 -1.14 -1.33 0.00 0.00 177.39 175.34 1u3h n ARG 92 N -1.20 3.53 -2.12 3.23 0.63 -0.91 -4.99 116.66 114.82 1u3h n ARG 92 Ca 0.13 -0.19 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 1u3h n ARG 92 Cb 0.16 -0.95 -0.03 0.00 0.45 0.00 0.00 32.46 32.09 1u3h n ARG 92 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1u3h s ARG 93 N -1.62 4.12 -0.25 -0.14 3.52 -0.88 -4.99 118.95 118.72 1u3h s ARG 93 Ca 0.05 1.97 -0.01 0.00 -0.13 0.00 0.00 55.73 57.61 1u3h s ARG 93 Cb 0.07 -3.94 0.07 0.00 -1.56 0.00 0.00 34.95 29.59 1u3h s ARG 93 CO 0.31 -0.89 0.04 -0.51 -0.81 0.00 0.00 175.30 173.43 1u3h s LEU 94 N 4.12 1.94 -0.16 -0.88 1.43 -1.26 -3.97 118.68 119.91 1u3h s LEU 94 Ca 0.69 -1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1u3h s LEU 94 Cb -0.29 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1u3h s LEU 94 CO 0.26 -0.33 -0.07 -1.61 0.23 0.00 0.00 176.35 174.83 1u3h s GLU 95 N 1.65 3.50 0.35 1.70 0.41 0.11 -4.93 118.70 121.49 1u3h s GLU 95 Ca 0.02 -0.61 -0.26 0.00 -0.41 0.00 0.00 54.97 53.71 1u3h s GLU 95 Cb -0.18 -2.83 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 1u3h s GLU 95 CO -0.13 0.13 1.03 -0.65 -0.49 0.00 0.00 175.26 175.15 1u3h s GLN 96 N 0.62 4.38 0.48 1.61 -0.21 -1.26 -1.48 119.66 123.80 1u3h s GLN 96 Ca -0.04 1.53 -0.22 0.00 0.02 0.00 0.00 55.36 56.64 1u3h s GLN 96 Cb -0.15 -2.75 -0.07 0.00 1.00 0.00 0.00 33.01 31.04 1u3h s GLN 96 CO 0.03 0.05 1.19 -2.14 -2.12 0.00 0.00 175.29 172.29 1u3h s PRO 97 N -2.14 3.65 -0.07 2.91 0.02 -1.26 -4.24 135.00 133.86 1u3h s PRO 97 Ca 0.53 1.82 -0.03 0.00 0.02 0.00 0.00 61.00 63.33 1u3h s PRO 97 Cb -0.23 -2.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 1u3h s PRO 97 CO 0.29 -0.66 0.09 -0.80 -0.33 0.00 0.00 177.00 175.60 1u3h s ASN 98 N -1.34 5.90 -0.07 2.53 0.01 0.32 -4.88 114.94 117.42 1u3h s ASN 98 Ca 0.65 0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 53.08 1u3h s ASN 98 Cb -0.30 -1.79 0.03 0.00 0.41 0.00 0.00 41.25 39.60 1u3h s ASN 98 CO 0.36 0.35 -0.00 -0.69 -1.51 0.00 0.00 177.10 175.60 1u3h s VAL 99 N -1.07 0.40 0.02 1.60 1.01 -1.25 -0.77 120.40 120.34 1u3h s VAL 99 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1u3h s VAL 99 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1u3h s VAL 99 CO 0.08 0.26 -0.03 0.68 0.00 0.00 0.00 175.10 176.09 1u3h s VAL 100 N 1.88 0.17 -0.03 2.92 -7.23 -0.66 -4.96 120.40 112.49 1u3h s VAL 100 Ca 0.04 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 1u3h s VAL 100 Cb -0.12 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 1u3h s VAL 100 CO -0.05 -0.29 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.76 1u3h s ILE 101 N -0.94 3.72 -0.01 -0.62 1.01 -1.26 -0.41 121.20 122.70 1u3h s ILE 101 Ca -0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1u3h s ILE 101 Cb -0.07 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1u3h s ILE 101 CO -0.00 0.48 0.26 -0.94 0.00 0.00 0.00 174.94 174.73 1u3h s SER 102 N -1.18 -0.12 0.06 3.58 1.04 -0.76 -4.98 113.70 111.33 1u3h s SER 102 Ca 0.15 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 1u3h s SER 102 Cb -0.11 0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.23 1u3h s SER 102 CO 0.05 -0.43 0.43 -0.22 0.98 0.00 0.00 173.24 174.04 1u3h s LEU 103 N -1.39 4.39 0.08 2.42 2.96 -1.26 -1.15 118.68 124.74 1u3h s LEU 103 Ca -0.14 0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 54.58 1u3h s LEU 103 Cb -0.06 -2.88 -0.23 0.00 0.50 0.00 0.00 46.19 43.53 1u3h s LEU 103 CO 0.03 0.22 1.18 0.28 -1.32 0.00 0.00 176.35 176.74 1u3h h SER 104 N 4.05 0.69 0.00 3.68 0.02 -1.50 -3.48 113.55 117.02 1u3h h SER 104 Ca -0.50 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 1u3h h SER 104 Cb 1.20 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1u3h h SER 104 CO 0.64 1.44 0.00 0.54 -1.14 0.00 0.00 176.83 178.32 1u3h n ARG 105 N -3.73 3.29 -3.33 3.45 1.74 -1.26 -5.01 116.66 111.82 1u3h n ARG 105 Ca -0.10 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.64 1u3h n ARG 105 Cb 0.94 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.33 1u3h n ARG 105 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1u3h s THR 106 N 3.93 4.83 -0.48 0.55 2.01 -1.26 -5.05 115.64 120.17 1u3h s THR 106 Ca 0.00 0.76 -0.26 0.00 0.31 0.00 0.00 61.69 62.51 1u3h s THR 106 Cb 0.00 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1u3h s THR 106 CO 0.00 0.08 0.95 -0.70 -0.69 0.00 0.00 174.62 174.26 1u3h s GLU 107 N -2.38 3.51 0.00 4.92 2.56 -1.26 -4.96 118.70 121.09 1u3h s GLU 107 Ca 0.43 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.52 1u3h s GLU 107 Cb -0.13 -3.95 0.00 0.00 2.00 0.00 0.00 34.13 32.05 1u3h s GLU 107 CO 0.20 -1.30 0.00 0.00 -0.56 0.00 0.00 175.26 173.60 1u3h n ALA 108 N 7.32 0.00 -0.66 6.30 0.00 -1.26 -5.07 120.51 127.14 1u3h n ALA 108 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1u3h n ALA 108 Cb 0.48 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.16 1u3h n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u3h n LEU 109 N 0.00 3.57 -2.77 0.00 4.77 -1.26 -4.83 117.00 116.47 1u3h n LEU 109 Ca 0.00 -2.60 0.03 0.00 -0.03 0.00 0.00 56.01 53.41 1u3h n LEU 109 Cb 0.00 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1u3h n LEU 109 CO 0.00 0.70 0.56 0.21 -1.33 0.00 0.00 177.39 177.53 1u3h s ASN 110 N -1.51 -0.07 -0.01 -1.43 2.47 -1.26 -4.75 114.94 108.38 1u3h s ASN 110 Ca 0.35 -0.03 -0.03 0.00 0.42 0.00 0.00 52.86 53.57 1u3h s ASN 110 Cb 0.25 0.29 -0.00 0.00 -1.45 0.00 0.00 41.25 40.34 1u3h s ASN 110 CO 0.12 -0.01 0.06 -1.00 -3.72 0.00 0.00 177.10 172.56 1u3h s HIS 111 N 2.20 0.04 -1.35 0.43 3.76 -1.26 -5.04 115.29 114.07 1u3h s HIS 111 Ca 0.18 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 1u3h s HIS 111 Cb 0.04 -0.05 0.11 0.00 1.11 0.00 0.00 32.58 33.79 1u3h s HIS 111 CO -0.18 -0.15 1.98 1.58 -0.85 0.00 0.00 174.74 177.13 1u3h n HIS 112 N 2.22 3.38 -2.07 1.40 -0.00 -1.26 -3.88 115.22 115.02 1u3h n HIS 112 Ca -0.18 -2.90 -0.05 0.00 0.46 0.00 0.00 57.72 55.04 1u3h n HIS 112 Cb 0.57 -2.24 0.03 0.00 -0.12 0.00 0.00 29.99 28.24 1u3h n HIS 112 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1u3h n ASN 113 N 5.08 0.23 -3.86 0.26 3.02 -0.49 -4.83 115.26 114.66 1u3h n ASN 113 Ca 0.45 -1.22 -0.24 0.00 -0.03 0.00 0.00 54.58 53.54 1u3h n ASN 113 Cb 0.38 -0.16 -0.17 0.00 -0.61 0.00 0.00 39.78 39.22 1u3h n ASN 113 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u3h s THR 114 N -0.75 0.69 -0.08 3.41 2.01 -1.26 -1.30 115.64 118.35 1u3h s THR 114 Ca 0.15 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1u3h s THR 114 Cb -0.01 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1u3h s THR 114 CO 0.10 0.30 0.46 -0.76 -0.69 0.00 0.00 174.62 174.03 1u3h s LEU 115 N 1.59 4.34 -0.14 4.42 1.43 -0.09 -1.09 118.68 129.13 1u3h s LEU 115 Ca 0.01 0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1u3h s LEU 115 Cb -0.13 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1u3h s LEU 115 CO -0.05 0.10 -0.13 -0.69 0.23 0.00 0.00 176.35 175.81 1u3h s VAL 116 N 0.11 2.96 -0.36 -1.59 1.01 -0.30 -0.31 120.40 121.92 1u3h s VAL 116 Ca 0.25 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1u3h s VAL 116 Cb -0.16 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.01 1u3h s VAL 116 CO 0.11 0.51 0.16 0.00 0.00 0.00 0.00 175.10 175.88 1u3h s SER 118 N 1.51 6.45 -0.32 0.00 0.01 0.45 -1.56 113.70 120.25 1u3h s SER 118 Ca 0.00 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.62 1u3h s SER 118 Cb -0.20 -2.30 0.05 0.00 0.21 0.00 0.00 66.02 63.78 1u3h s SER 118 CO 0.04 -0.42 0.03 -0.69 0.41 0.00 0.00 173.24 172.62 1u3h s VAL 119 N 2.48 3.12 0.13 3.43 1.01 -0.56 -1.66 120.40 128.36 1u3h s VAL 119 Ca 0.23 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.83 1u3h s VAL 119 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1u3h s VAL 119 CO 0.11 -0.17 -0.10 0.42 0.00 0.00 0.00 175.10 175.36 1u3h s THR 120 N 1.26 1.10 -1.30 3.92 -4.23 0.05 -0.95 115.64 115.49 1u3h s THR 120 Ca -0.03 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1u3h s THR 120 Cb -0.20 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1u3h s THR 120 CO -0.01 -0.67 0.64 0.47 -0.54 0.00 0.00 174.62 174.51 1u3h n ASP 121 N 0.08 -5.58 -4.78 3.99 8.00 -0.28 -0.52 116.55 117.46 1u3h n ASP 121 Ca -0.12 -0.30 -0.24 0.00 0.71 0.00 0.00 54.79 54.84 1u3h n ASP 121 Cb 0.59 -4.36 -0.05 0.00 -0.02 0.00 0.00 41.12 37.28 1u3h n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1u3h s PHE 122 N -3.14 3.07 -0.26 1.24 -0.12 -1.00 -4.40 117.98 113.37 1u3h s PHE 122 Ca 0.32 -0.08 -0.24 0.00 -0.05 0.00 0.00 56.93 56.88 1u3h s PHE 122 Cb -0.14 -1.43 0.07 0.00 -0.63 0.00 0.00 43.02 40.89 1u3h s PHE 122 CO 0.39 0.53 0.69 -0.47 -0.05 0.00 0.00 175.22 176.31 1u3h s TYR 123 N -1.95 -0.76 0.00 3.49 6.14 -0.55 -0.47 117.35 123.25 1u3h s TYR 123 Ca 0.31 1.86 0.00 0.00 0.64 0.00 0.00 57.07 59.88 1u3h s TYR 123 Cb -0.09 0.27 0.00 0.00 0.42 0.00 0.00 41.96 42.56 1u3h s TYR 123 CO 0.23 -0.37 0.00 -0.35 0.64 0.00 0.00 175.55 175.70 1u3h n PRO 124 N 2.75 0.38 -0.26 4.97 -0.04 -1.25 0.07 135.00 141.62 1u3h n PRO 124 Ca -0.14 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.28 1u3h n PRO 124 Cb 0.55 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.09 1u3h n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u3h h ALA 125 N -1.87 0.93 -2.11 0.55 0.00 -1.98 -3.44 119.26 111.34 1u3h h ALA 125 Ca 0.00 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 1u3h h ALA 125 Cb 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 17.79 17.59 1u3h h ALA 125 CO 0.00 0.26 0.84 1.17 0.00 0.00 0.00 179.25 181.52 1u3h n LYS 126 N -4.64 2.00 -3.51 0.00 4.81 -1.26 -4.95 118.16 110.62 1u3h n LYS 126 Ca 0.07 0.73 -0.10 0.00 -0.87 0.00 0.00 58.31 58.14 1u3h n LYS 126 Cb 0.07 -2.50 -0.03 0.00 0.02 0.00 0.00 35.03 32.59 1u3h n LYS 126 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1u3h s ILE 127 N 1.80 0.00 -0.04 3.15 2.07 -1.26 -4.51 121.20 122.41 1u3h s ILE 127 Ca 0.84 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 60.07 1u3h s ILE 127 Cb -0.73 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.89 1u3h s ILE 127 CO 0.44 0.00 0.01 -0.75 -1.91 0.00 0.00 174.94 172.73 1u3h s LYS 128 N -2.59 0.29 -0.06 3.50 2.20 -0.59 -5.00 119.74 117.49 1u3h s LYS 128 Ca 0.01 0.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1u3h s LYS 128 Cb -0.01 -0.59 0.01 0.00 -1.51 0.00 0.00 37.83 35.74 1u3h s LYS 128 CO -0.05 -0.21 -0.13 0.08 -0.36 0.00 0.00 175.35 174.68 1u3h s VAL 129 N 1.44 1.16 0.04 4.02 1.01 -1.26 -0.91 120.40 125.90 1u3h s VAL 129 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1u3h s VAL 129 Cb -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1u3h s VAL 129 CO -0.03 0.36 -0.04 -0.13 0.00 0.00 0.00 175.10 175.26 1u3h s ARG 130 N 0.59 0.51 -0.08 2.72 0.52 -0.25 -4.97 118.95 117.99 1u3h s ARG 130 Ca -0.13 -0.94 -0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1u3h s ARG 130 Cb -0.15 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.35 1u3h s ARG 130 CO 0.04 -0.06 -0.05 -1.58 0.02 0.00 0.00 175.30 173.67 1u3h s TRP 131 N -2.63 3.00 0.04 -0.53 0.52 -1.26 -0.58 118.94 117.49 1u3h s TRP 131 Ca -0.03 0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1u3h s TRP 131 Cb -0.01 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.52 1u3h s TRP 131 CO -0.05 0.32 -0.12 -0.06 0.02 0.00 0.00 176.95 177.06 1u3h s PHE 132 N -0.68 1.07 -0.17 -1.98 0.40 -0.28 -0.26 117.98 116.08 1u3h s PHE 132 Ca 0.10 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1u3h s PHE 132 Cb -0.11 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.82 1u3h s PHE 132 CO 0.02 0.01 -0.10 0.50 0.70 0.00 0.00 175.22 176.35 1u3h s ARG 133 N -1.12 1.95 -1.47 0.44 3.52 0.89 -0.67 118.95 122.49 1u3h s ARG 133 Ca -0.00 -0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 54.90 1u3h s ARG 133 Cb -0.08 -2.17 0.04 0.00 -1.56 0.00 0.00 34.95 31.18 1u3h s ARG 133 CO 0.01 -0.36 0.58 0.09 -0.81 0.00 0.00 175.30 174.81 1u3h n ASN 134 N 4.77 -1.45 0.00 -2.12 3.02 0.31 -1.03 115.26 118.76 1u3h n ASN 134 Ca -0.15 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1u3h n ASN 134 Cb 0.48 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 1u3h n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u3h n GLY 135 N -1.80 1.83 3.58 7.41 0.00 -1.26 -5.00 105.19 109.95 1u3h n GLY 135 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1u3h n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u3h s GLN 136 N -0.06 3.46 0.20 1.61 -1.52 -0.20 -5.03 119.66 118.12 1u3h s GLN 136 Ca 0.00 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 1u3h s GLN 136 Cb 0.00 -2.91 -0.09 0.00 -0.22 0.00 0.00 33.01 29.79 1u3h s GLN 136 CO 0.00 0.42 1.38 -2.00 -0.25 0.00 0.00 175.29 174.83 1u3h s GLU 137 N -0.10 4.33 -0.18 2.91 2.12 -1.26 -0.08 118.70 126.44 1u3h s GLU 137 Ca 0.03 2.15 -0.09 0.00 0.36 0.00 0.00 54.97 57.42 1u3h s GLU 137 Cb -0.13 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1u3h s GLU 137 CO 0.02 -0.35 0.12 -1.21 -0.54 0.00 0.00 175.26 173.30 1u3h s GLU 138 N 0.07 4.02 0.00 4.30 0.41 0.64 -4.88 118.70 123.26 1u3h s GLU 138 Ca 0.59 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 1u3h s GLU 138 Cb -0.39 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 1u3h s GLU 138 CO 0.38 0.37 0.00 0.25 -0.49 0.00 0.00 175.26 175.77 1u3h n THR 139 N 3.28 0.00 0.09 3.63 -2.24 -1.26 -4.41 114.28 113.37 1u3h n THR 139 Ca -0.17 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1u3h n THR 139 Cb 0.52 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 1u3h n THR 139 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1u3h h VAL 140 N 0.00 0.38 -0.90 2.28 2.07 -2.00 -3.32 116.25 114.76 1u3h h VAL 140 Ca 0.00 -0.91 -0.61 0.00 0.82 0.00 0.00 66.70 66.00 1u3h h VAL 140 Cb 0.00 0.65 -0.26 0.00 -1.52 0.00 0.00 31.29 30.16 1u3h h VAL 140 CO 0.00 0.10 0.79 0.61 0.02 0.00 0.00 177.57 179.09 1u3h n GLY 141 N 0.70 5.53 3.61 2.17 0.00 -1.26 -4.93 105.19 111.02 1u3h n GLY 141 Ca -0.06 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1u3h n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3h s VAL 142 N -4.34 3.85 -0.14 1.61 1.01 -1.25 -0.89 120.40 120.26 1u3h s VAL 142 Ca 0.58 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1u3h s VAL 142 Cb 0.46 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 34.28 1u3h s VAL 142 CO -0.01 0.54 0.60 -0.94 0.00 0.00 0.00 175.10 175.29 1u3h s SER 143 N -1.02 -0.59 0.09 3.32 1.04 -0.35 -5.00 113.70 111.19 1u3h s SER 143 Ca 0.14 0.91 0.06 0.00 0.48 0.00 0.00 55.95 57.54 1u3h s SER 143 Cb -0.11 0.89 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 1u3h s SER 143 CO 0.04 -0.38 -0.15 -0.94 0.98 0.00 0.00 173.24 172.79 1u3h s SER 144 N -0.41 1.91 0.95 7.02 1.04 -1.26 0.82 113.70 123.77 1u3h s SER 144 Ca -0.06 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.56 1u3h s SER 144 Cb -0.03 -0.07 0.16 0.00 0.10 0.00 0.00 66.02 66.18 1u3h s SER 144 CO 0.04 -0.08 1.12 0.42 0.98 0.00 0.00 173.24 175.72 1u3h s THR 145 N -1.55 2.02 0.91 2.02 -4.23 -0.33 -5.00 115.64 109.48 1u3h s THR 145 Ca 0.03 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 1u3h s THR 145 Cb -0.08 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.32 1u3h s THR 145 CO 0.03 -0.01 1.03 0.00 -0.54 0.00 0.00 174.62 175.13 1u3h n GLN 146 N -3.94 -1.83 -2.22 3.99 6.02 -1.26 -4.74 117.38 113.41 1u3h n GLN 146 Ca 0.06 -1.62 -0.42 0.00 -0.01 0.00 0.00 57.00 55.01 1u3h n GLN 146 Cb 0.58 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 1u3h n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1u3h s LEU 147 N 0.00 4.35 -0.35 1.08 2.96 -1.26 -4.77 118.68 120.69 1u3h s LEU 147 Ca 0.62 2.22 -0.12 0.00 -0.22 0.00 0.00 54.13 56.62 1u3h s LEU 147 Cb -0.03 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.08 1u3h s LEU 147 CO 0.45 -0.65 0.23 -0.63 -1.32 0.00 0.00 176.35 174.42 1u3h s ILE 148 N 1.55 5.04 -0.32 6.68 1.01 -0.53 -4.99 121.20 129.63 1u3h s ILE 148 Ca 0.64 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 1u3h s ILE 148 Cb -0.34 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1u3h s ILE 148 CO 0.29 -0.08 0.83 -0.60 0.00 0.00 0.00 174.94 175.38 1u3h s ARG 149 N 1.67 3.95 0.25 2.79 3.52 -1.26 -1.82 118.95 128.04 1u3h s ARG 149 Ca 0.05 0.62 0.25 0.00 -0.13 0.00 0.00 55.73 56.52 1u3h s ARG 149 Cb -0.18 -3.74 0.86 0.00 -1.56 0.00 0.00 34.95 30.33 1u3h s ARG 149 CO 0.09 -0.74 1.76 -0.91 -0.81 0.00 0.00 175.30 174.69 1u3h h ASN 150 N 8.17 0.00 0.00 -2.12 -0.26 -1.70 -3.47 115.58 116.20 1u3h h ASN 150 Ca -0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1u3h h ASN 150 Cb 1.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1u3h h ASN 150 CO 0.91 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.89 1u3h n GLY 151 N 0.86 1.72 1.01 2.83 0.00 -1.26 -4.83 105.19 105.51 1u3h n GLY 151 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1u3h n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u3h n ASP 152 N 0.00 2.72 -2.33 1.61 5.75 -1.26 -4.93 116.55 118.12 1u3h n ASP 152 Ca 0.00 -3.58 -0.14 0.00 -0.01 0.00 0.00 54.79 51.06 1u3h n ASP 152 Cb 0.00 -0.60 0.05 0.00 -1.03 0.00 0.00 41.12 39.54 1u3h n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1u3h n TRP 153 N -1.02 -1.68 -3.73 2.11 7.02 -1.26 -5.04 117.44 113.85 1u3h n TRP 153 Ca 0.29 0.60 -0.10 0.00 -1.02 0.00 0.00 57.50 57.26 1u3h n TRP 153 Cb 0.96 -3.40 -0.06 0.00 -2.42 0.00 0.00 31.31 26.39 1u3h n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1u3h s THR 154 N -3.19 0.09 0.37 -0.99 -4.23 -1.26 -4.75 115.64 101.68 1u3h s THR 154 Ca 0.33 -0.76 0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1u3h s THR 154 Cb -0.14 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.51 1u3h s THR 154 CO 0.43 -0.42 0.07 -0.36 -0.54 0.00 0.00 174.62 173.80 1u3h s PHE 155 N -3.38 1.92 0.03 3.99 0.08 0.38 -1.74 117.98 119.26 1u3h s PHE 155 Ca 0.01 -1.05 -0.20 0.00 0.12 0.00 0.00 56.93 55.81 1u3h s PHE 155 Cb 0.02 -1.30 0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1u3h s PHE 155 CO -0.09 -0.05 0.45 1.14 -0.10 0.00 0.00 175.22 176.57 1u3h s GLN 156 N -3.83 0.92 -0.06 0.44 -2.07 -0.75 -1.13 119.66 113.19 1u3h s GLN 156 Ca 0.30 -0.25 -0.05 0.00 -1.82 0.00 0.00 55.36 53.53 1u3h s GLN 156 Cb 0.06 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.41 1u3h s GLN 156 CO 0.14 -0.31 0.16 0.54 -1.32 0.00 0.00 175.29 174.50 1u3h s VAL 157 N -2.17 -0.00 -0.11 3.63 0.11 -0.12 -1.45 120.40 120.28 1u3h s VAL 157 Ca -0.07 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1u3h s VAL 157 Cb -0.01 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1u3h s VAL 157 CO -0.00 0.00 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.87 1u3h s LEU 158 N 0.09 2.70 -0.18 2.54 1.43 -1.26 -1.50 118.68 122.51 1u3h s LEU 158 Ca -0.00 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1u3h s LEU 158 Cb -0.01 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1u3h s LEU 158 CO 0.00 0.21 -0.11 -0.69 0.23 0.00 0.00 176.35 175.99 1u3h s VAL 159 N 0.08 1.57 0.03 -1.59 1.01 -0.60 -1.19 120.40 119.72 1u3h s VAL 159 Ca -0.06 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1u3h s VAL 159 Cb -0.15 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1u3h s VAL 159 CO 0.05 0.28 0.37 -0.04 0.00 0.00 0.00 175.10 175.76 1u3h s MET 160 N 1.45 3.77 -0.16 2.72 -1.94 0.24 -0.57 119.30 124.82 1u3h s MET 160 Ca 0.01 0.20 -0.01 0.00 -1.71 0.00 0.00 55.69 54.19 1u3h s MET 160 Cb -0.15 -3.09 0.04 0.00 2.01 0.00 0.00 34.83 33.64 1u3h s MET 160 CO -0.09 0.62 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.32 1u3h s LEU 161 N -1.58 1.51 -0.06 -0.03 2.96 0.57 -1.22 118.68 120.84 1u3h s LEU 161 Ca 0.28 -0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 1u3h s LEU 161 Cb -0.15 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1u3h s LEU 161 CO 0.15 -0.18 1.09 -1.61 -1.32 0.00 0.00 176.35 174.49 1u3h s GLU 162 N 1.66 4.41 0.28 1.98 0.41 -0.07 -0.92 118.70 126.47 1u3h s GLU 162 Ca 0.01 1.54 -0.14 0.00 -0.41 0.00 0.00 54.97 55.97 1u3h s GLU 162 Cb -0.15 -3.52 0.01 0.00 -1.78 0.00 0.00 34.13 28.69 1u3h s GLU 162 CO -0.08 -0.32 0.58 0.00 -0.49 0.00 0.00 175.26 174.94 1u3h s MET 163 N 1.86 1.73 -0.32 1.61 0.23 -0.42 -4.73 119.30 119.27 1u3h s MET 163 Ca 0.53 -1.27 0.01 0.00 -1.03 0.00 0.00 55.69 53.93 1u3h s MET 163 Cb -0.22 0.52 0.10 0.00 -1.53 0.00 0.00 34.83 33.70 1u3h s MET 163 CO 0.22 -0.75 0.08 0.99 -2.03 0.00 0.00 175.02 173.52 1u3h s THR 164 N -3.67 1.47 0.55 3.16 2.01 -1.26 -1.40 115.64 116.49 1u3h s THR 164 Ca 0.20 -1.79 -0.21 0.00 0.31 0.00 0.00 61.69 60.20 1u3h s THR 164 Cb -0.02 -2.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 1u3h s THR 164 CO 0.10 -0.64 1.13 -0.81 -0.69 0.00 0.00 174.62 173.72 1u3h n PRO 165 N 4.60 1.30 -2.63 4.92 -0.04 -1.25 -4.93 135.00 136.96 1u3h n PRO 165 Ca 0.00 0.48 -0.06 0.00 -0.04 0.00 0.00 63.50 63.89 1u3h n PRO 165 Cb 0.42 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 1u3h n PRO 165 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u3h n ARG 166 N -0.81 0.20 -2.83 0.54 1.74 -1.26 -4.43 116.66 109.80 1u3h n ARG 166 Ca 0.12 -1.10 -0.40 0.00 -0.77 0.00 0.00 57.85 55.69 1u3h n ARG 166 Cb 0.45 0.97 -0.06 0.00 -1.02 0.00 0.00 32.46 32.80 1u3h n ARG 166 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1u3h s ARG 167 N -2.39 4.71 -1.83 5.56 1.70 -1.26 -3.78 118.95 121.66 1u3h s ARG 167 Ca 0.12 1.35 0.00 0.00 -0.47 0.00 0.00 55.73 56.74 1u3h s ARG 167 Cb 0.00 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1u3h s ARG 167 CO 0.09 0.45 0.00 0.41 -1.08 0.00 0.00 175.30 175.16 1u3h n GLY 168 N 1.77 0.38 3.63 3.88 0.00 -1.26 -4.96 105.19 108.64 1u3h n GLY 168 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1u3h n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u3h s GLU 169 N -4.53 4.04 -0.25 1.61 2.12 -1.25 -5.04 118.70 115.40 1u3h s GLU 169 Ca 0.00 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 1u3h s GLU 169 Cb 0.00 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1u3h s GLU 169 CO 0.00 -0.06 0.01 0.08 -0.54 0.00 0.00 175.26 174.75 1u3h s VAL 170 N 1.41 3.60 -0.05 3.70 1.01 -1.26 -4.36 120.40 124.45 1u3h s VAL 170 Ca 0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1u3h s VAL 170 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1u3h s VAL 170 CO 0.07 0.26 0.12 -0.31 0.00 0.00 0.00 175.10 175.25 1u3h s TYR 171 N 1.48 3.45 0.00 5.22 1.51 -0.55 -0.53 117.35 127.93 1u3h s TYR 171 Ca 0.04 0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.48 1u3h s TYR 171 Cb -0.16 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1u3h s TYR 171 CO -0.01 0.63 -0.08 0.99 -1.11 0.00 0.00 175.55 175.97 1u3h s THR 172 N -1.16 0.65 -0.21 -0.71 2.01 0.15 -0.90 115.64 115.47 1u3h s THR 172 Ca 0.21 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1u3h s THR 172 Cb -0.12 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1u3h s THR 172 CO 0.11 0.12 -0.02 0.00 -0.69 0.00 0.00 174.62 174.14 1u3h s HIS 174 N 1.26 2.91 -0.06 0.00 2.46 0.25 -1.21 115.29 120.91 1u3h s HIS 174 Ca 0.03 -0.74 0.03 0.00 0.47 0.00 0.00 55.06 54.85 1u3h s HIS 174 Cb -0.14 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 1u3h s HIS 174 CO -0.00 -0.35 -0.16 0.08 -2.47 0.00 0.00 174.74 171.85 1u3h s VAL 175 N 0.87 1.37 -0.10 0.89 1.01 0.35 -1.09 120.40 123.70 1u3h s VAL 175 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1u3h s VAL 175 Cb -0.15 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1u3h s VAL 175 CO 0.01 0.40 -0.20 -1.61 0.00 0.00 0.00 175.10 173.70 1u3h s GLU 176 N 0.37 2.63 -0.04 2.72 2.02 -0.09 -1.08 118.70 125.22 1u3h s GLU 176 Ca -0.11 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.03 1u3h s GLU 176 Cb -0.14 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.04 1u3h s GLU 176 CO 0.04 0.08 0.29 -1.58 0.02 0.00 0.00 175.26 174.10 1u3h s HIS 177 N 0.59 -0.19 0.59 1.61 2.46 -1.26 -1.55 115.29 117.54 1u3h s HIS 177 Ca -0.14 0.36 0.29 0.00 0.47 0.00 0.00 55.06 56.04 1u3h s HIS 177 Cb -0.17 0.08 1.40 0.00 -0.13 0.00 0.00 32.58 33.76 1u3h s HIS 177 CO 0.04 -0.32 1.80 -1.35 -2.47 0.00 0.00 174.74 172.44 1u3h h PRO 178 N 4.40 0.00 -0.00 2.88 0.11 -1.94 0.16 132.00 137.61 1u3h h PRO 178 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1u3h h PRO 178 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u3h h PRO 178 CO 0.38 0.00 -0.22 -1.13 -0.21 0.00 0.00 178.00 176.81 1u3h n SER 179 N -3.66 0.40 -4.43 -2.05 3.41 -1.26 -4.77 113.62 101.27 1u3h n SER 179 Ca 0.12 -0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 58.15 1u3h n SER 179 Cb 0.85 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.61 1u3h n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u3h s LEU 180 N -2.79 3.37 0.32 1.04 1.43 0.56 -4.86 118.68 117.75 1u3h s LEU 180 Ca 0.19 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1u3h s LEU 180 Cb 0.19 -1.90 0.54 0.00 0.03 0.00 0.00 46.19 45.05 1u3h s LEU 180 CO 0.57 -0.02 1.78 0.50 0.23 0.00 0.00 176.35 179.40 1u3h h LYS 181 N 8.15 0.35 -5.16 1.70 3.64 -1.86 -3.43 116.57 119.97 1u3h h LYS 181 Ca -0.39 -0.12 -0.50 0.00 -1.27 0.00 0.00 60.65 58.37 1u3h h LYS 181 Cb 1.17 -0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 32.66 1u3h h LYS 181 CO 0.58 0.58 -0.82 -1.12 -2.27 0.00 0.00 179.45 176.41 1u3h s SER 182 N -6.84 1.72 0.70 4.20 0.01 -1.26 -5.13 113.70 107.11 1u3h s SER 182 Ca -0.06 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.77 1u3h s SER 182 Cb 0.14 -0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1u3h s SER 182 CO 0.77 0.14 1.03 -2.65 0.41 0.00 0.00 173.24 172.94 1u3h n PRO 183 N 2.98 0.64 -3.83 12.44 -0.02 -1.26 -4.98 135.00 140.97 1u3h n PRO 183 Ca -0.16 0.27 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 1u3h n PRO 183 Cb 0.54 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1u3h n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u3h s ILE 184 N -1.72 5.45 -0.07 4.25 1.01 -0.25 -4.92 121.20 124.96 1u3h s ILE 184 Ca 0.75 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1u3h s ILE 184 Cb -0.36 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1u3h s ILE 184 CO 0.48 0.60 -0.05 0.42 0.00 0.00 0.00 174.94 176.39 1u3h s THR 185 N -0.93 0.69 -0.03 2.92 -4.23 -1.26 -0.49 115.64 112.30 1u3h s THR 185 Ca 0.16 -0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1u3h s THR 185 Cb -0.12 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.97 1u3h s THR 185 CO 0.05 0.28 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.53 1u3h s VAL 186 N 1.23 2.73 0.12 2.29 1.01 -0.35 -4.93 120.40 122.51 1u3h s VAL 186 Ca -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1u3h s VAL 186 Cb -0.14 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1u3h s VAL 186 CO -0.02 0.56 -0.06 -1.61 0.00 0.00 0.00 175.10 173.97 1u3h s GLU 187 N -0.77 2.25 -0.04 2.72 2.02 -1.26 -0.48 118.70 123.14 1u3h s GLU 187 Ca 0.11 -1.02 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 1u3h s GLU 187 Cb -0.10 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1u3h s GLU 187 CO 0.00 0.50 0.11 -0.46 0.02 0.00 0.00 175.26 175.43 1u3h s TRP 188 N -1.37 -0.11 0.13 1.61 -0.00 -0.08 -4.96 118.94 114.16 1u3h s TRP 188 Ca 0.24 0.32 0.03 0.00 -0.00 0.00 0.00 56.10 56.68 1u3h s TRP 188 Cb -0.11 -0.02 -0.04 0.00 -0.00 0.00 0.00 33.47 33.30 1u3h s TRP 188 CO 0.16 -0.09 -0.07 1.03 -0.00 0.00 0.00 176.95 177.98 1u3h s ARG 189 N 0.48 0.97 0.00 5.86 0.52 -1.26 -1.48 118.95 124.04 1u3h s ARG 189 Ca -0.04 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1u3h s ARG 189 Cb -0.05 -0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1u3h s ARG 189 CO -0.02 0.00 0.43 0.00 0.02 0.00 0.00 175.30 175.73