#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h h ASP 2 N 0.00 -0.01 0.00 1.61 3.32 -2.06 -3.47 116.42 115.82 1u3h h ASP 2 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1u3h h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1u3h h ASP 2 CO 0.00 0.89 -0.07 -1.54 -1.72 0.00 0.00 179.24 176.80 1u3h n SER 3 N -4.66 0.25 0.00 6.45 3.41 -1.26 -4.90 113.62 112.91 1u3h n SER 3 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1u3h n SER 3 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.65 0.00 -1.59 4.33 0.00 -1.26 -5.06 120.64 115.41 1u3h n GLU 4 Ca 0.00 -0.18 -0.46 0.00 0.00 0.00 0.00 57.16 56.53 1u3h n GLU 4 Cb 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 31.44 30.96 1u3h n GLU 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1u3h n ARG 5 N 0.00 1.94 -4.54 5.31 1.74 -1.26 -4.91 116.66 114.94 1u3h n ARG 5 Ca 0.00 0.60 -0.34 0.00 -0.77 0.00 0.00 57.85 57.35 1u3h n ARG 5 Cb 0.34 -2.93 -0.11 0.00 -1.02 0.00 0.00 32.46 28.74 1u3h n ARG 5 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1u3h s HIS 6 N 6.78 2.99 0.13 -1.55 2.46 -1.26 -4.62 115.29 120.22 1u3h s HIS 6 Ca 1.00 -0.06 0.07 0.00 0.47 0.00 0.00 55.06 56.54 1u3h s HIS 6 Cb -0.53 -1.79 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 1u3h s HIS 6 CO 0.42 0.24 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.71 1u3h s PHE 7 N -0.48 1.56 0.16 3.88 0.08 -1.26 -5.14 117.98 116.77 1u3h s PHE 7 Ca 0.07 -0.51 -0.23 0.00 0.12 0.00 0.00 56.93 56.38 1u3h s PHE 7 Cb -0.12 -0.81 0.06 0.00 -0.57 0.00 0.00 43.02 41.59 1u3h s PHE 7 CO 0.02 0.20 0.68 0.54 -0.10 0.00 0.00 175.22 176.56 1u3h s VAL 8 N -1.99 0.00 0.11 -0.44 0.11 -1.26 -5.14 120.40 111.79 1u3h s VAL 8 Ca 0.10 -0.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1u3h s VAL 8 Cb -0.06 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1u3h s VAL 8 CO 0.04 0.00 -0.08 0.68 -3.33 0.00 0.00 175.10 172.42 1u3h s VAL 9 N -3.68 0.82 -0.06 2.04 -7.23 -1.14 -3.72 120.40 107.44 1u3h s VAL 9 Ca 0.04 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1u3h s VAL 9 Cb -0.02 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.25 1u3h s VAL 9 CO -0.08 -0.83 0.11 -1.10 -0.31 0.00 0.00 175.10 172.89 1u3h s GLN 10 N -3.76 0.04 -0.21 4.82 -0.21 -0.24 -5.00 119.66 115.09 1u3h s GLN 10 Ca 0.13 0.36 -0.04 0.00 0.02 0.00 0.00 55.36 55.83 1u3h s GLN 10 Cb 0.04 -0.24 -0.01 0.00 1.00 0.00 0.00 33.01 33.80 1u3h s GLN 10 CO -0.03 -0.20 -0.04 0.12 -2.12 0.00 0.00 175.29 173.02 1u3h s PHE 11 N 1.40 2.96 -0.36 0.91 5.36 -1.26 -0.82 117.98 126.18 1u3h s PHE 11 Ca -0.06 -0.82 0.02 0.00 -0.96 0.00 0.00 56.93 55.10 1u3h s PHE 11 Cb -0.12 -2.09 0.11 0.00 -0.34 0.00 0.00 43.02 40.58 1u3h s PHE 11 CO -0.05 -0.47 0.12 -0.65 -1.46 0.00 0.00 175.22 172.71 1u3h s GLN 12 N 1.34 1.16 0.14 10.12 -0.21 -0.80 -5.01 119.66 126.40 1u3h s GLN 12 Ca 0.04 -1.62 -0.20 0.00 0.02 0.00 0.00 55.36 53.60 1u3h s GLN 12 Cb -0.14 -2.55 -0.07 0.00 1.00 0.00 0.00 33.01 31.25 1u3h s GLN 12 CO -0.02 -1.01 0.64 -1.25 -2.12 0.00 0.00 175.29 171.53 1u3h s PRO 13 N 1.01 4.24 -0.02 2.91 0.04 -1.26 -2.37 135.00 139.55 1u3h s PRO 13 Ca 0.12 0.80 0.03 0.00 0.04 0.00 0.00 61.00 61.99 1u3h s PRO 13 Cb -0.20 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1u3h s PRO 13 CO -0.13 0.54 -0.11 -0.06 0.04 0.00 0.00 177.00 177.28 1u3h s PHE 14 N -1.28 1.03 -0.31 0.56 0.08 0.74 -5.01 117.98 113.79 1u3h s PHE 14 Ca 0.35 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.19 1u3h s PHE 14 Cb -0.19 -0.70 0.09 0.00 -0.57 0.00 0.00 43.02 41.65 1u3h s PHE 14 CO 0.21 -0.07 0.03 0.00 -0.10 0.00 0.00 175.22 175.29 1u3h s TYR 16 N 1.14 3.02 -0.13 0.00 2.02 0.37 -4.97 117.35 118.80 1u3h s TYR 16 Ca 0.06 0.06 -0.09 0.00 -0.37 0.00 0.00 57.07 56.73 1u3h s TYR 16 Cb -0.19 -3.54 -0.05 0.00 -0.40 0.00 0.00 41.96 37.79 1u3h s TYR 16 CO -0.11 -0.95 0.18 -0.06 -1.57 0.00 0.00 175.55 173.05 1u3h s PHE 17 N 3.10 3.55 -0.04 2.71 0.08 -1.26 -1.59 117.98 124.53 1u3h s PHE 17 Ca 0.27 0.53 0.01 0.00 0.12 0.00 0.00 56.93 57.86 1u3h s PHE 17 Cb -0.13 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1u3h s PHE 17 CO 0.21 0.55 -0.04 0.99 -0.10 0.00 0.00 175.22 176.83 1u3h s THR 18 N -0.50 0.49 -0.73 0.64 2.01 -0.81 -4.89 115.64 111.85 1u3h s THR 18 Ca 0.14 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1u3h s THR 18 Cb -0.12 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 71.88 1u3h s THR 18 CO 0.03 0.21 0.64 -3.20 -0.69 0.00 0.00 174.62 171.61 1u3h n ASN 19 N 3.96 -5.93 0.00 3.53 2.85 -1.26 -2.49 115.26 115.92 1u3h n ASN 19 Ca -0.25 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 53.70 1u3h n ASN 19 Cb 0.51 -2.89 0.00 0.00 1.24 0.00 0.00 39.78 38.64 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 -1.40 2.77 0.90 8.20 0.00 -1.26 -2.21 105.19 112.19 1u3h n GLY 20 Ca -0.18 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 1.12 0.00 2.61 -2.24 -1.26 -4.72 114.28 109.79 1u3h n THR 21 Ca 0.00 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1u3h n THR 21 Cb 0.00 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1u3h n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u3h n GLN 22 N 0.80 0.00 -3.07 -0.78 6.02 -0.94 -4.54 117.38 114.87 1u3h n GLN 22 Ca 0.16 0.22 -0.39 0.00 -0.01 0.00 0.00 57.00 56.98 1u3h n GLN 22 Cb 0.53 -1.17 -0.05 0.00 1.02 0.00 0.00 30.24 30.57 1u3h n GLN 22 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1u3h s ARG 23 N -1.67 4.42 -0.15 -1.09 3.52 -1.04 -5.00 118.95 117.94 1u3h s ARG 23 Ca 0.00 0.92 -0.04 0.00 -0.13 0.00 0.00 55.73 56.48 1u3h s ARG 23 Cb 0.00 -3.36 0.07 0.00 -1.56 0.00 0.00 34.95 30.10 1u3h s ARG 23 CO 0.00 0.29 0.18 0.42 -0.81 0.00 0.00 175.30 175.38 1u3h s ILE 24 N -0.01 -0.27 -0.17 4.11 1.01 -1.26 -1.93 121.20 122.67 1u3h s ILE 24 Ca 0.36 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 1u3h s ILE 24 Cb -0.19 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 1u3h s ILE 24 CO 0.20 -0.07 -0.04 -0.60 0.00 0.00 0.00 174.94 174.44 1u3h s ARG 25 N 2.29 3.59 -0.23 2.79 3.52 -0.62 -4.97 118.95 125.32 1u3h s ARG 25 Ca 0.04 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 1u3h s ARG 25 Cb -0.14 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.33 1u3h s ARG 25 CO -0.09 0.13 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.00 1u3h s TYR 26 N 0.65 2.99 -0.02 5.12 5.04 -1.26 -0.48 117.35 129.38 1u3h s TYR 26 Ca -0.02 -1.23 0.07 0.00 -2.44 0.00 0.00 57.07 53.45 1u3h s TYR 26 Cb -0.14 -2.08 -0.02 0.00 0.35 0.00 0.00 41.96 40.07 1u3h s TYR 26 CO 0.02 -0.64 -0.24 0.08 -1.34 0.00 0.00 175.55 173.43 1u3h s VAL 27 N 1.41 1.93 -0.14 3.14 1.01 -0.59 -0.97 120.40 126.18 1u3h s VAL 27 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1u3h s VAL 27 Cb -0.15 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1u3h s VAL 27 CO -0.04 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.56 1u3h s THR 28 N -0.55 1.55 -0.14 3.92 2.01 -0.09 -0.19 115.64 122.15 1u3h s THR 28 Ca 0.09 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1u3h s THR 28 Cb -0.10 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1u3h s THR 28 CO -0.01 0.46 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.10 1u3h s ARG 29 N 1.35 3.29 -0.31 4.92 0.52 -1.00 -1.06 118.95 126.66 1u3h s ARG 29 Ca 0.02 -0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 1u3h s ARG 29 Cb -0.13 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1u3h s ARG 29 CO -0.08 0.13 0.12 0.71 0.02 0.00 0.00 175.30 176.20 1u3h s TYR 30 N 0.54 3.17 -0.06 -0.53 1.51 -0.57 -1.90 117.35 119.51 1u3h s TYR 30 Ca -0.09 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 1u3h s TYR 30 Cb -0.16 -2.32 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 1u3h s TYR 30 CO 0.04 -0.53 -0.09 0.42 -1.11 0.00 0.00 175.55 174.28 1u3h s ILE 31 N 1.56 3.51 0.00 2.71 1.09 0.00 -0.11 121.20 129.96 1u3h s ILE 31 Ca 0.03 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 1u3h s ILE 31 Cb -0.17 -2.42 0.00 0.00 -1.06 0.00 0.00 42.46 38.81 1u3h s ILE 31 CO 0.05 0.60 0.00 0.00 -0.10 0.00 0.00 174.94 175.48 1u3h n TYR 32 N 2.24 0.00 -0.02 3.97 9.36 0.27 -1.08 117.16 131.90 1u3h n TYR 32 Ca -0.18 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.02 1u3h n TYR 32 Cb 0.53 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 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 -0.73 0.59 0.00 2.98 3.02 -1.24 -2.87 115.26 117.00 1u3h n ASN 33 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1u3h n ASN 33 Cb 0.00 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.09 0.67 -4.25 3.52 3.00 -1.26 -4.85 116.66 110.40 1u3h n ARG 34 Ca -0.04 -0.67 -0.34 0.00 -0.00 0.00 0.00 57.85 56.80 1u3h n ARG 34 Cb 0.14 -0.69 -0.13 0.00 0.00 0.00 0.00 32.46 31.79 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 -0.26 3.57 -0.33 -0.14 2.12 -1.26 -5.08 118.70 117.32 1u3h s GLU 35 Ca 0.00 -0.56 -0.28 0.00 0.36 0.00 0.00 54.97 54.50 1u3h s GLU 35 Cb 0.00 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.45 1u3h s GLU 35 CO 0.00 0.08 1.01 -2.00 -0.54 0.00 0.00 175.26 173.81 1u3h s GLU 36 N 0.78 4.01 -0.11 4.30 2.12 -1.26 0.96 118.70 129.49 1u3h s GLU 36 Ca -0.01 0.91 0.13 0.00 0.36 0.00 0.00 54.97 56.36 1u3h s GLU 36 Cb -0.14 -3.75 -0.19 0.00 0.26 0.00 0.00 34.13 30.30 1u3h s GLU 36 CO 0.02 -0.89 0.13 2.48 -0.54 0.00 0.00 175.26 176.46 1u3h n TYR 37 N 6.78 0.00 -4.24 5.30 0.18 0.84 -4.33 117.16 121.69 1u3h n TYR 37 Ca 0.10 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.74 1u3h n TYR 37 Cb 0.47 -0.60 -0.10 0.00 -0.38 0.00 0.00 39.34 38.74 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 -4.77 2.50 -0.29 -3.48 2.96 -1.08 -0.98 118.68 113.55 1u3h s LEU 38 Ca -0.07 -1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 52.60 1u3h s LEU 38 Cb 0.06 -0.28 0.14 0.00 0.50 0.00 0.00 46.19 46.60 1u3h s LEU 38 CO 0.59 -0.37 1.05 -0.60 -1.32 0.00 0.00 176.35 175.69 1u3h s ARG 39 N -3.78 0.42 -0.09 1.98 3.52 -0.82 -1.50 118.95 118.69 1u3h s ARG 39 Ca 0.17 0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 56.34 1u3h s ARG 39 Cb 0.03 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 1u3h s ARG 39 CO 0.00 -0.06 -0.05 0.12 -0.81 0.00 0.00 175.30 174.50 1u3h s PHE 40 N 0.62 3.00 -0.10 5.12 5.36 -0.23 -0.86 117.98 130.90 1u3h s PHE 40 Ca -0.01 -0.00 -0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1u3h s PHE 40 Cb -0.04 -1.77 0.04 0.00 -0.34 0.00 0.00 43.02 40.90 1u3h s PHE 40 CO -0.10 0.29 0.05 0.34 -1.46 0.00 0.00 175.22 174.34 1u3h s ASP 41 N -0.60 1.77 0.42 6.13 -1.08 -1.25 -0.92 116.67 121.14 1u3h s ASP 41 Ca 0.09 -0.24 0.18 0.00 -0.52 0.00 0.00 52.55 52.06 1u3h s ASP 41 Cb -0.12 -0.31 1.08 0.00 -1.46 0.00 0.00 42.92 42.12 1u3h s ASP 41 CO 0.02 -0.26 1.86 0.77 0.52 0.00 0.00 175.17 178.07 1u3h h SER 42 N 8.38 0.40 0.11 -0.34 4.64 -1.43 0.90 113.55 126.21 1u3h h SER 42 Ca -0.15 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1u3h h SER 42 Cb 1.13 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1u3h h SER 42 CO 0.24 0.16 -0.21 0.44 -0.87 0.00 0.00 176.83 176.59 1u3h h ASP 43 N 0.40 0.18 0.13 4.97 5.19 -1.94 -2.86 116.42 122.50 1u3h h ASP 43 Ca 0.46 -0.05 -0.32 0.00 -0.62 0.00 0.00 57.03 56.51 1u3h h ASP 43 Cb 1.16 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1u3h h ASP 43 CO -0.17 0.41 -1.70 0.58 -3.12 0.00 0.00 179.24 175.24 1u3h h VAL 44 N 0.17 0.85 0.00 -1.35 2.07 -1.15 -3.49 116.25 113.36 1u3h h VAL 44 Ca 0.03 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1u3h h VAL 44 Cb 0.48 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1u3h h VAL 44 CO 0.03 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1u3h n GLY 45 N 1.84 0.84 3.58 2.17 0.00 0.28 -5.04 105.19 108.86 1u3h n GLY 45 Ca -0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.61 0.39 -0.05 1.61 2.12 -1.25 -5.00 118.70 115.91 1u3h s GLU 46 Ca 0.00 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 1u3h s GLU 46 Cb 0.00 0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.52 1u3h s GLU 46 CO 0.00 -0.16 1.46 0.71 -0.54 0.00 0.00 175.26 176.72 1u3h s TYR 47 N -2.38 2.56 0.08 5.30 2.02 -1.26 -3.93 117.35 119.74 1u3h s TYR 47 Ca 0.08 0.65 0.10 0.00 -0.37 0.00 0.00 57.07 57.53 1u3h s TYR 47 Cb -0.01 -3.71 -0.03 0.00 -0.40 0.00 0.00 41.96 37.80 1u3h s TYR 47 CO -0.05 -2.76 -0.27 1.03 -1.57 0.00 0.00 175.55 171.93 1u3h s ARG 48 N 3.19 1.62 -0.15 -0.62 1.81 -0.04 -4.85 118.95 119.91 1u3h s ARG 48 Ca 0.65 -1.21 -0.27 0.00 -1.72 0.00 0.00 55.73 53.18 1u3h s ARG 48 Cb -0.30 -1.93 -0.01 0.00 -0.45 0.00 0.00 34.95 32.26 1u3h s ARG 48 CO 0.25 0.48 0.93 0.00 -0.68 0.00 0.00 175.30 176.28 1u3h s ALA 49 N -0.92 3.50 0.08 2.13 0.00 -1.26 -1.94 121.76 123.35 1u3h s ALA 49 Ca 0.13 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1u3h s ALA 49 Cb -0.10 -3.35 -0.24 0.00 0.00 0.00 0.00 23.12 19.43 1u3h s ALA 49 CO 0.04 -0.69 1.16 0.28 0.00 0.00 0.00 175.76 176.55 1u3h h VAL 50 N 5.19 1.34 -4.22 0.00 2.07 -1.34 -3.47 116.25 115.82 1u3h h VAL 50 Ca -0.28 -2.54 -0.16 0.00 0.82 0.00 0.00 66.70 64.53 1u3h h VAL 50 Cb 1.13 2.66 -0.15 0.00 -1.52 0.00 0.00 31.29 33.40 1u3h h VAL 50 CO 0.86 0.77 -0.67 0.42 0.02 0.00 0.00 177.57 178.97 1u3h s THR 51 N -3.01 0.26 0.47 2.57 -4.23 -1.17 -5.01 115.64 105.53 1u3h s THR 51 Ca -0.08 -1.86 0.36 0.00 -1.18 0.00 0.00 61.69 58.92 1u3h s THR 51 Cb 0.07 -1.73 0.55 0.00 1.34 0.00 0.00 72.50 72.73 1u3h s THR 51 CO 0.91 -0.79 1.62 -0.08 -0.54 0.00 0.00 174.62 175.74 1u3h h GLU 52 N 3.02 0.05 0.00 3.99 4.22 -1.91 0.92 114.58 124.87 1u3h h GLU 52 Ca -0.35 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.09 1u3h h GLU 52 Cb 1.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1u3h h GLU 52 CO 0.64 0.03 -0.02 1.25 -2.18 0.00 0.00 179.01 178.73 1u3h h LEU 53 N 0.05 0.00 -2.39 1.64 6.46 -1.95 -1.91 115.31 117.20 1u3h h LEU 53 Ca 0.84 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.60 1u3h h LEU 53 Cb 2.87 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.80 1u3h h LEU 53 CO -0.30 0.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.15 1u3h n GLY 54 N -0.65 1.82 0.17 3.75 0.00 0.32 -4.56 105.19 106.03 1u3h n GLY 54 Ca -0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 4.13 -0.12 0.00 1.61 9.65 -1.34 -2.73 114.38 125.58 1u3h h ARG 55 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1u3h h ARG 55 Cb 0.94 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1u3h h ARG 55 CO 0.00 -0.08 0.04 -1.35 2.80 0.00 0.00 179.97 181.38 1u3h h PRO 56 N -0.12 0.00 0.00 0.20 0.11 -1.80 -3.13 132.00 127.26 1u3h h PRO 56 Ca 0.10 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.85 1u3h h PRO 56 Cb 0.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.31 1u3h h PRO 56 CO -0.24 0.00 -2.29 -0.25 -0.21 0.00 0.00 178.00 175.01 1u3h n ASP 57 N -2.75 0.39 0.00 -2.05 8.00 -1.04 -4.59 116.55 114.52 1u3h n ASP 57 Ca -0.02 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1u3h n ASP 57 Cb 0.10 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.78 0.00 -0.03 2.24 0.00 -1.17 -0.46 120.51 118.31 1u3h n ALA 58 Ca -0.32 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1u3h n ALA 58 Cb 1.12 0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.96 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 -0.20 -0.81 0.00 4.81 -1.84 -1.14 114.58 115.40 1u3h h GLU 59 Ca 0.00 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.44 1u3h h GLU 59 Cb 0.00 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.29 1u3h h GLU 59 CO 0.00 -0.14 0.13 -0.92 -0.73 0.00 0.00 179.01 177.36 1u3h h TYR 60 N -0.21 0.17 -0.30 0.92 3.20 -1.74 0.82 116.97 119.83 1u3h h TYR 60 Ca 0.02 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1u3h h TYR 60 Cb 0.27 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1u3h h TYR 60 CO -0.57 -0.20 -0.15 1.88 -1.64 0.00 0.00 178.16 177.48 1u3h h TYR 61 N 0.18 0.57 0.00 -3.82 -1.99 -0.37 -1.18 116.97 110.35 1u3h h TYR 61 Ca 0.48 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 61.07 1u3h h TYR 61 Cb 0.89 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 1u3h h TYR 61 CO -0.33 0.65 -0.17 -0.91 -0.00 0.00 0.00 178.16 177.40 1u3h h ASN 62 N 0.48 0.00 0.00 3.88 2.35 0.39 -0.36 115.58 122.31 1u3h h ASN 62 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1u3h h ASN 62 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1u3h h ASN 62 CO 0.03 0.17 -0.02 0.11 -1.65 0.00 0.00 177.43 176.08 1u3h h LYS 63 N 0.00 0.00 0.00 0.81 1.57 -0.70 -3.31 116.57 114.95 1u3h h LYS 63 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1u3h h LYS 63 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1u3h h LYS 63 CO 0.02 0.00 -0.47 1.96 -0.57 0.00 0.00 179.45 180.39 1u3h h GLN 64 N -0.60 0.00 0.00 3.15 1.08 -1.33 -3.40 115.11 114.01 1u3h h GLN 64 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1u3h h GLN 64 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1u3h h GLN 64 CO 0.00 0.47 -1.01 0.66 -0.95 0.00 0.00 178.83 178.00 1u3h n TYR 67 N -3.74 0.00 -0.29 2.96 4.01 -0.19 -4.84 117.16 115.07 1u3h n TYR 67 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1u3h n TYR 67 Cb 0.53 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.60 1u3h n TYR 67 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1u3h n LEU 68 N -1.71 -0.44 -0.05 7.72 4.77 -0.94 -0.14 117.00 126.21 1u3h n LEU 68 Ca -0.00 1.31 -0.01 0.00 -0.03 0.00 0.00 56.01 57.28 1u3h n LEU 68 Cb 0.21 -0.32 0.25 0.00 -2.33 0.00 0.00 43.42 41.23 1u3h n LEU 68 CO 0.00 -1.20 0.94 -0.08 -1.33 0.00 0.00 177.39 175.73 1u3h h GLU 69 N 0.00 0.64 0.08 3.23 4.81 -1.87 -2.68 114.58 118.79 1u3h h GLU 69 Ca 0.28 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1u3h h GLU 69 Cb 0.47 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1u3h h GLU 69 CO -0.75 0.64 -0.04 0.00 -0.73 0.00 0.00 179.01 178.12 1u3h h ARG 70 N 0.62 -0.11 -0.63 1.92 3.08 -0.86 -3.12 114.38 115.27 1u3h h ARG 70 Ca 0.13 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.25 1u3h h ARG 70 Cb 0.33 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1u3h h ARG 70 CO 0.01 0.41 0.33 1.15 -1.07 0.00 0.00 179.97 180.80 1u3h h THR 71 N -0.73 0.94 -0.66 2.04 2.02 -1.34 -1.44 112.91 113.74 1u3h h THR 71 Ca -0.01 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.04 1u3h h THR 71 Cb 0.57 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 1u3h h THR 71 CO 0.02 0.11 0.32 0.03 0.37 0.00 0.00 175.52 176.37 1u3h h ARG 72 N 0.61 0.55 -0.96 6.66 3.08 -1.58 -2.57 114.38 120.17 1u3h h ARG 72 Ca 0.28 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.32 1u3h h ARG 72 Cb 0.20 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1u3h h ARG 72 CO -0.19 0.36 0.64 0.00 -1.07 0.00 0.00 179.97 179.71 1u3h h ALA 73 N 1.39 1.33 -0.68 0.04 0.00 -1.21 -2.54 119.26 117.59 1u3h h ALA 73 Ca 0.31 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.36 1u3h h ALA 73 Cb 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1u3h h ALA 73 CO -0.24 0.62 0.56 0.93 0.00 0.00 0.00 179.25 181.11 1u3h h GLU 74 N 1.29 0.00 -0.63 0.00 5.08 -1.06 0.60 114.58 119.85 1u3h h GLU 74 Ca 0.36 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.90 1u3h h GLU 74 Cb -0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1u3h h GLU 74 CO -0.08 0.00 0.51 1.25 -1.00 0.00 0.00 179.01 179.69 1u3h h LEU 75 N 0.00 0.00 0.00 1.33 6.46 -1.55 0.54 115.31 122.09 1u3h h LEU 75 Ca 0.32 0.00 -0.38 0.00 -0.12 0.00 0.00 57.88 57.70 1u3h h LEU 75 Cb 1.44 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.31 1u3h h LEU 75 CO -0.00 0.00 -2.25 0.47 -0.62 0.00 0.00 178.44 176.04 1u3h n ASP 76 N -4.10 1.67 0.12 1.25 8.00 0.20 -1.90 116.55 121.78 1u3h n ASP 76 Ca 0.12 0.29 0.11 0.00 0.71 0.00 0.00 54.79 56.03 1u3h n ASP 76 Cb 0.76 -0.69 0.47 0.00 -0.02 0.00 0.00 41.12 41.63 1u3h n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1u3h n THR 77 N -4.07 0.83 0.01 -3.53 -2.24 -0.53 -1.70 114.28 103.04 1u3h n THR 77 Ca -0.45 0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1u3h n THR 77 Cb 0.81 -1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1u3h n THR 77 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1u3h n VAL 78 N -2.16 0.44 0.06 2.28 0.31 0.18 -4.61 118.33 114.83 1u3h n VAL 78 Ca 0.02 0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 1u3h n VAL 78 Cb 0.24 -1.29 -0.01 0.00 -0.91 0.00 0.00 33.84 31.87 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 -0.17 0.97 0.41 0.00 2.43 -1.43 -1.57 114.38 115.01 1u3h h ARG 80 Ca -0.02 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1u3h h ARG 80 Cb 0.14 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1u3h h ARG 80 CO 0.01 0.64 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.00 1u3h h TYR 81 N 1.00 -0.52 -0.81 2.20 3.20 -1.27 -3.08 116.97 117.69 1u3h h TYR 81 Ca 0.43 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.36 1u3h h TYR 81 Cb 0.31 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1u3h h TYR 81 CO -0.02 -0.24 0.53 -0.91 -1.64 0.00 0.00 178.16 175.88 1u3h h ASN 82 N -0.71 0.79 0.00 -2.11 2.35 0.13 0.18 115.58 116.21 1u3h h ASN 82 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1u3h h ASN 82 Cb 0.51 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1u3h h ASN 82 CO 0.09 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 176.38 1u3h n TYR 83 N -4.48 0.00 0.00 1.19 4.19 -0.61 -0.21 117.16 117.24 1u3h n TYR 83 Ca 0.12 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.33 1u3h n TYR 83 Cb 0.21 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.04 1u3h n TYR 83 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1u3h n GLU 84 N -0.51 0.00 -0.03 2.98 4.71 0.63 -1.82 120.64 126.61 1u3h n GLU 84 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1u3h n GLU 84 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 1u3h n GLU 84 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1u3h n THR 85 N 0.00 0.39 0.02 2.62 -2.24 0.71 -4.75 114.28 111.02 1u3h n THR 85 Ca 0.00 -0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 1u3h n THR 85 Cb 0.00 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.25 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 0.28 -0.75 -0.78 4.39 -1.14 -3.29 114.58 113.29 1u3h h GLU 86 Ca -0.15 -0.41 0.17 0.00 0.34 0.00 0.00 59.36 59.30 1u3h h GLU 86 Cb 1.34 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 30.01 1u3h h GLU 86 CO 0.01 1.16 0.05 0.28 -1.16 0.00 0.00 179.01 179.35 1u3h h VAL 87 N -0.40 0.38 -0.01 3.13 2.07 -1.63 -0.38 116.25 119.41 1u3h h VAL 87 Ca -0.10 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1u3h h VAL 87 Cb 1.45 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1u3h h VAL 87 CO 0.12 0.03 -0.09 -0.81 0.02 0.00 0.00 177.57 176.84 1u3h n PRO 88 N -5.30 0.93 0.00 1.57 -0.04 -1.26 -3.92 135.00 126.98 1u3h n PRO 88 Ca 0.14 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1u3h n PRO 88 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.72 0.00 -0.22 0.52 -2.24 -0.22 -4.79 114.28 106.61 1u3h n THR 89 Ca 0.16 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.87 1u3h n THR 89 Cb 0.28 -0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.91 0.43 3.42 4.64 -1.71 -2.53 113.55 118.71 1u3h h SER 90 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1u3h h SER 90 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1u3h h SER 90 CO 0.00 0.88 0.00 0.18 -0.87 0.00 0.00 176.83 177.02 1u3h n LEU 91 N -4.37 0.00 -0.42 5.97 4.77 -0.79 -2.28 117.00 119.89 1u3h n LEU 91 Ca 0.04 0.38 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 1u3h n LEU 91 Cb 0.21 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1u3h n LEU 91 CO 0.40 -0.17 0.40 -1.14 -1.33 0.00 0.00 177.39 175.56 1u3h n ARG 92 N -1.38 0.63 -2.38 3.23 0.63 -0.99 -4.99 116.66 111.40 1u3h n ARG 92 Ca 0.06 -1.10 -0.42 0.00 -0.92 0.00 0.00 57.85 55.47 1u3h n ARG 92 Cb 0.16 -1.20 -0.03 0.00 0.45 0.00 0.00 32.46 31.85 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 -0.94 4.34 -0.05 -0.14 3.52 -0.96 -5.01 118.95 119.70 1u3h s ARG 93 Ca 0.12 1.77 -0.01 0.00 -0.13 0.00 0.00 55.73 57.48 1u3h s ARG 93 Cb 0.09 -3.54 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1u3h s ARG 93 CO 0.15 -0.47 0.03 -0.51 -0.81 0.00 0.00 175.30 173.68 1u3h s LEU 94 N 2.18 0.45 -0.06 -0.88 1.43 -1.26 -4.16 118.68 116.38 1u3h s LEU 94 Ca 0.59 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1u3h s LEU 94 Cb -0.27 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1u3h s LEU 94 CO 0.24 -0.21 -0.11 -1.61 0.23 0.00 0.00 176.35 174.89 1u3h s GLU 95 N 1.95 1.49 0.19 1.70 0.41 -0.32 -4.94 118.70 119.19 1u3h s GLU 95 Ca 0.03 -0.35 -0.28 0.00 -0.41 0.00 0.00 54.97 53.97 1u3h s GLU 95 Cb -0.12 -1.27 -0.08 0.00 -1.78 0.00 0.00 34.13 30.88 1u3h s GLU 95 CO -0.04 0.01 0.86 -0.65 -0.49 0.00 0.00 175.26 174.96 1u3h s GLN 96 N 0.68 4.70 0.28 1.61 -0.21 -1.26 -2.02 119.66 123.45 1u3h s GLN 96 Ca -0.14 1.32 -0.30 0.00 0.02 0.00 0.00 55.36 56.26 1u3h s GLN 96 Cb -0.15 -3.29 -0.12 0.00 1.00 0.00 0.00 33.01 30.45 1u3h s GLN 96 CO 0.03 0.50 1.48 -2.30 -2.12 0.00 0.00 175.29 172.89 1u3h n PRO 97 N 1.72 2.38 -3.57 2.91 -0.02 -1.26 -4.45 135.00 132.71 1u3h n PRO 97 Ca -0.03 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 1u3h n PRO 97 Cb 0.48 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 1u3h n PRO 97 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1u3h s ASN 98 N 0.29 6.29 -0.20 2.55 3.84 0.12 -4.91 114.94 122.92 1u3h s ASN 98 Ca 0.64 0.33 0.01 0.00 0.21 0.00 0.00 52.86 54.05 1u3h s ASN 98 Cb -0.56 -2.15 0.04 0.00 -0.55 0.00 0.00 41.25 38.03 1u3h s ASN 98 CO 0.51 0.06 -0.12 -0.69 -2.79 0.00 0.00 177.10 174.07 1u3h s VAL 99 N 0.86 1.80 0.02 -5.21 1.01 -1.26 -1.22 120.40 116.41 1u3h s VAL 99 Ca 0.13 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1u3h s VAL 99 Cb -0.13 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1u3h s VAL 99 CO 0.04 0.20 -0.09 0.68 0.00 0.00 0.00 175.10 175.93 1u3h s VAL 100 N 1.33 0.68 -0.11 2.92 -7.23 -0.87 -4.96 120.40 112.15 1u3h s VAL 100 Ca -0.01 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1u3h s VAL 100 Cb -0.16 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 1u3h s VAL 100 CO -0.08 -0.08 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.96 1u3h s ILE 101 N -0.78 3.96 0.08 -0.62 1.01 -1.26 -1.22 121.20 122.37 1u3h s ILE 101 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1u3h s ILE 101 Cb -0.07 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1u3h s ILE 101 CO 0.00 0.55 -0.08 -0.94 0.00 0.00 0.00 174.94 174.48 1u3h s SER 102 N -0.31 1.09 -0.00 3.58 1.04 -0.60 -4.96 113.70 113.54 1u3h s SER 102 Ca 0.05 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1u3h s SER 102 Cb -0.12 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1u3h s SER 102 CO 0.02 -0.34 0.05 -0.22 0.98 0.00 0.00 173.24 173.73 1u3h s LEU 103 N -2.45 3.76 -0.31 2.42 2.96 -1.26 0.18 118.68 123.98 1u3h s LEU 103 Ca 0.03 0.09 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 1u3h s LEU 103 Cb -0.01 -2.18 0.53 0.00 0.50 0.00 0.00 46.19 45.03 1u3h s LEU 103 CO -0.02 0.27 1.53 -1.20 -1.32 0.00 0.00 176.35 175.61 1u3h n SER 104 N 1.25 2.77 0.00 3.68 7.64 -0.07 -4.96 113.62 123.92 1u3h n SER 104 Ca -0.14 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.05 1u3h n SER 104 Cb 0.53 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1u3h n SER 104 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1u3h n ARG 105 N -1.07 0.00 -3.67 1.43 5.12 -1.26 -4.74 116.66 112.47 1u3h n ARG 105 Ca 0.36 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.93 1u3h n ARG 105 Cb 1.12 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.36 1u3h n ARG 105 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u3h s THR 106 N 0.17 5.20 -0.82 0.55 2.01 -1.26 -5.06 115.64 116.43 1u3h s THR 106 Ca 0.00 0.31 -0.21 0.00 0.31 0.00 0.00 61.69 62.10 1u3h s THR 106 Cb 0.00 -3.61 0.10 0.00 0.01 0.00 0.00 72.50 69.00 1u3h s THR 106 CO 0.00 0.33 1.08 -0.70 -0.69 0.00 0.00 174.62 174.64 1u3h s GLU 107 N -1.83 3.39 0.00 4.92 2.56 -1.26 -4.97 118.70 121.51 1u3h s GLU 107 Ca 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 54.97 53.94 1u3h s GLU 107 Cb -0.14 -4.66 0.00 0.00 2.00 0.00 0.00 34.13 31.33 1u3h s GLU 107 CO 0.17 -1.82 0.00 0.00 -0.56 0.00 0.00 175.26 173.05 1u3h n ALA 108 N 7.19 0.00 0.90 6.30 0.00 -1.26 -5.05 120.51 128.59 1u3h n ALA 108 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1u3h n ALA 108 Cb 0.48 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.14 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 2.81 -3.15 0.00 4.77 -1.26 -4.87 117.00 115.30 1u3h n LEU 109 Ca 0.00 -1.04 0.05 0.00 -0.03 0.00 0.00 56.01 55.00 1u3h n LEU 109 Cb 0.00 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1u3h n LEU 109 CO 0.00 0.52 0.67 0.21 -1.33 0.00 0.00 177.39 177.46 1u3h s ASN 110 N -1.83 -0.29 0.19 -1.43 2.47 -1.23 -4.23 114.94 108.60 1u3h s ASN 110 Ca 0.33 0.19 -0.23 0.00 0.42 0.00 0.00 52.86 53.56 1u3h s ASN 110 Cb 0.21 1.25 0.05 0.00 -1.45 0.00 0.00 41.25 41.31 1u3h s ASN 110 CO 0.31 -0.05 0.82 -1.00 -3.72 0.00 0.00 177.10 173.45 1u3h s HIS 111 N 2.94 -0.22 -0.85 0.43 3.76 -1.26 -5.00 115.29 115.09 1u3h s HIS 111 Ca -0.05 -0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 54.60 1u3h s HIS 111 Cb -0.09 0.65 0.22 0.00 1.11 0.00 0.00 32.58 34.46 1u3h s HIS 111 CO -0.09 -0.97 0.81 -1.58 -0.85 0.00 0.00 174.74 172.05 1u3h s HIS 112 N -3.58 3.74 0.00 1.40 2.46 -1.26 -3.78 115.29 114.27 1u3h s HIS 112 Ca 0.10 -1.98 0.00 0.00 0.47 0.00 0.00 55.06 53.65 1u3h s HIS 112 Cb -0.03 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 1u3h s HIS 112 CO 0.02 -1.02 0.00 0.09 -2.47 0.00 0.00 174.74 171.35 1u3h n ASN 113 N 4.10 1.98 -3.69 9.88 3.02 -0.67 -4.97 115.26 124.90 1u3h n ASN 113 Ca 0.15 -0.48 -0.18 0.00 -0.03 0.00 0.00 54.58 54.05 1u3h n ASN 113 Cb 0.47 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.06 -0.14 0.14 3.41 2.01 -1.26 -1.73 115.64 118.13 1u3h s THR 114 Ca 0.00 0.35 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 1u3h s THR 114 Cb 0.00 -0.19 -0.07 0.00 0.01 0.00 0.00 72.50 72.25 1u3h s THR 114 CO 0.00 0.14 0.58 -0.76 -0.69 0.00 0.00 174.62 173.89 1u3h s LEU 115 N 1.91 4.38 -0.10 4.42 1.43 -0.69 -0.90 118.68 129.13 1u3h s LEU 115 Ca 0.01 1.16 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1u3h s LEU 115 Cb -0.12 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.90 1u3h s LEU 115 CO -0.04 0.14 -0.14 -0.69 0.23 0.00 0.00 176.35 175.84 1u3h s VAL 116 N -1.39 1.42 -0.44 -1.59 1.01 0.13 -1.28 120.40 118.26 1u3h s VAL 116 Ca 0.36 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1u3h s VAL 116 Cb -0.16 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 34.98 1u3h s VAL 116 CO 0.19 0.43 0.33 0.00 0.00 0.00 0.00 175.10 176.05 1u3h s SER 118 N 2.29 6.53 -0.48 0.00 0.01 -0.36 -1.67 113.70 120.02 1u3h s SER 118 Ca 0.04 0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 1u3h s SER 118 Cb -0.23 -2.33 0.13 0.00 0.21 0.00 0.00 66.02 63.79 1u3h s SER 118 CO 0.06 -0.44 0.26 -0.69 0.41 0.00 0.00 173.24 172.84 1u3h s VAL 119 N 2.57 3.15 0.34 3.43 1.01 -0.77 -2.06 120.40 128.07 1u3h s VAL 119 Ca 0.26 -2.59 0.08 0.00 0.00 0.00 0.00 61.98 59.73 1u3h s VAL 119 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1u3h s VAL 119 CO 0.10 -0.75 0.10 0.42 0.00 0.00 0.00 175.10 174.97 1u3h s THR 120 N 0.50 2.87 -1.70 3.92 -4.23 -0.36 -1.31 115.64 115.33 1u3h s THR 120 Ca 0.13 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1u3h s THR 120 Cb -0.22 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1u3h s THR 120 CO -0.04 -0.18 0.00 0.47 -0.54 0.00 0.00 174.62 174.33 1u3h n ASP 121 N -1.08 -5.53 -4.97 3.99 8.00 -0.16 0.11 116.55 116.91 1u3h n ASP 121 Ca -0.03 0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1u3h n ASP 121 Cb 0.62 -4.59 -0.01 0.00 -0.02 0.00 0.00 41.12 37.12 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 -2.93 3.12 -0.28 1.24 -0.71 -0.98 -4.41 117.98 113.03 1u3h s PHE 122 Ca 0.00 -0.21 -0.24 0.00 -1.04 0.00 0.00 56.93 55.44 1u3h s PHE 122 Cb 0.00 -1.92 0.11 0.00 -1.21 0.00 0.00 43.02 40.00 1u3h s PHE 122 CO 0.00 0.07 0.95 -0.47 -1.34 0.00 0.00 175.22 174.43 1u3h s TYR 123 N -2.17 -0.57 0.00 3.49 6.14 -0.85 -0.91 117.35 122.47 1u3h s TYR 123 Ca 0.43 1.36 0.00 0.00 0.64 0.00 0.00 57.07 59.50 1u3h s TYR 123 Cb -0.09 0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.64 1u3h s TYR 123 CO 0.30 -0.28 0.00 -0.35 0.64 0.00 0.00 175.55 175.87 1u3h n PRO 124 N 2.51 0.48 0.04 4.97 -0.04 -1.26 -1.17 135.00 140.54 1u3h n PRO 124 Ca -0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 1u3h n PRO 124 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.00 -0.11 -1.00 0.55 0.00 -1.99 -3.45 119.26 111.26 1u3h h ALA 125 Ca 0.00 0.02 -0.87 0.00 0.00 0.00 0.00 54.91 54.06 1u3h h ALA 125 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u3h h ALA 125 CO 0.00 -0.60 0.62 1.17 0.00 0.00 0.00 179.25 180.44 1u3h n LYS 126 N -5.25 0.00 -3.52 0.00 4.81 -1.26 -4.94 118.16 108.00 1u3h n LYS 126 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 1u3h n LYS 126 Cb 0.17 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.68 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 2.69 0.00 -0.03 3.15 2.07 -1.26 -4.42 121.20 123.39 1u3h s ILE 127 Ca 1.03 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.28 1u3h s ILE 127 Cb -1.47 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.14 1u3h s ILE 127 CO 0.79 0.00 -0.01 -0.75 -1.91 0.00 0.00 174.94 173.06 1u3h s LYS 128 N -2.06 0.40 -0.05 3.50 2.20 -0.79 -5.02 119.74 117.92 1u3h s LYS 128 Ca -0.02 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.62 1u3h s LYS 128 Cb -0.01 -0.51 0.01 0.00 -1.51 0.00 0.00 37.83 35.81 1u3h s LYS 128 CO -0.01 -0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 174.87 1u3h s VAL 129 N 0.81 0.91 0.05 4.02 1.01 -1.26 -1.83 120.40 124.10 1u3h s VAL 129 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1u3h s VAL 129 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1u3h s VAL 129 CO -0.01 0.30 -0.04 -0.13 0.00 0.00 0.00 175.10 175.21 1u3h s ARG 130 N 0.56 0.56 -0.07 2.72 0.52 -0.03 -4.98 118.95 118.22 1u3h s ARG 130 Ca -0.10 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1u3h s ARG 130 Cb -0.13 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.37 1u3h s ARG 130 CO 0.02 -0.06 -0.08 -1.58 0.02 0.00 0.00 175.30 173.62 1u3h s TRP 131 N -2.95 2.90 0.06 -0.53 0.52 -1.26 -0.79 118.94 116.90 1u3h s TRP 131 Ca -0.00 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.12 1u3h s TRP 131 Cb 0.01 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1u3h s TRP 131 CO -0.06 0.26 -0.16 -0.06 0.02 0.00 0.00 176.95 176.96 1u3h s PHE 132 N -0.66 1.34 -0.18 -1.98 0.40 0.14 -0.61 117.98 116.42 1u3h s PHE 132 Ca 0.10 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1u3h s PHE 132 Cb -0.11 -0.76 0.04 0.00 0.51 0.00 0.00 43.02 42.70 1u3h s PHE 132 CO 0.02 0.08 -0.07 0.50 0.70 0.00 0.00 175.22 176.44 1u3h s ARG 133 N -1.55 1.67 -1.44 0.44 3.52 0.86 -0.51 118.95 121.94 1u3h s ARG 133 Ca 0.01 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1u3h s ARG 133 Cb -0.09 -2.18 0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1u3h s ARG 133 CO 0.02 -0.43 0.63 0.09 -0.81 0.00 0.00 175.30 174.79 1u3h n ASN 134 N 4.80 -1.62 0.00 -2.12 3.02 0.57 -0.95 115.26 118.95 1u3h n ASN 134 Ca -0.13 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1u3h n ASN 134 Cb 0.47 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 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 -1.76 0.69 3.65 7.41 0.00 -1.26 -5.01 105.19 108.92 1u3h n GLY 135 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 2.98 0.14 1.61 -1.52 -0.13 -5.05 119.66 117.40 1u3h s GLN 136 Ca 0.00 -0.44 -0.30 0.00 -1.95 0.00 0.00 55.36 52.67 1u3h s GLN 136 Cb 0.00 -2.76 -0.08 0.00 -0.22 0.00 0.00 33.01 29.95 1u3h s GLN 136 CO 0.00 0.67 1.27 -2.00 -0.25 0.00 0.00 175.29 174.97 1u3h s GLU 137 N -0.79 4.41 -0.26 2.91 2.12 -1.26 -0.10 118.70 125.74 1u3h s GLU 137 Ca 0.12 1.94 -0.09 0.00 0.36 0.00 0.00 54.97 57.30 1u3h s GLU 137 Cb -0.11 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 1u3h s GLU 137 CO 0.02 -0.25 0.13 -1.21 -0.54 0.00 0.00 175.26 173.42 1u3h s GLU 138 N 0.39 3.84 -0.00 4.30 0.41 0.22 -4.89 118.70 122.97 1u3h s GLU 138 Ca 0.58 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.75 1u3h s GLU 138 Cb -0.34 -3.49 -0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1u3h s GLU 138 CO 0.34 -0.15 0.00 0.25 -0.49 0.00 0.00 175.26 175.21 1u3h n THR 139 N 4.89 0.00 0.27 3.63 -2.24 -1.26 -4.40 114.28 115.17 1u3h n THR 139 Ca -0.15 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1u3h n THR 139 Cb 0.52 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.00 -1.22 2.28 2.07 -2.00 -3.26 116.25 114.12 1u3h h VAL 140 Ca 0.00 -0.22 -0.55 0.00 0.82 0.00 0.00 66.70 66.75 1u3h h VAL 140 Cb 0.00 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 29.58 1u3h h VAL 140 CO 0.00 0.00 0.55 0.61 0.02 0.00 0.00 177.57 178.75 1u3h n GLY 141 N -0.49 4.63 3.21 2.17 0.00 -1.26 -4.90 105.19 108.54 1u3h n GLY 141 Ca -0.09 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.94 2.05 -0.10 1.61 1.01 -1.23 0.49 120.40 121.29 1u3h s VAL 142 Ca 0.56 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1u3h s VAL 142 Cb 0.39 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1u3h s VAL 142 CO -0.24 0.55 0.25 -0.94 0.00 0.00 0.00 175.10 174.72 1u3h s SER 143 N 0.46 -0.26 0.17 3.32 1.04 -0.44 -4.98 113.70 113.01 1u3h s SER 143 Ca -0.16 0.51 0.11 0.00 0.48 0.00 0.00 55.95 56.88 1u3h s SER 143 Cb -0.17 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1u3h s SER 143 CO 0.06 -0.10 -0.24 -0.94 0.98 0.00 0.00 173.24 173.00 1u3h s SER 144 N 0.37 3.26 1.03 7.02 1.04 -1.26 0.52 113.70 125.68 1u3h s SER 144 Ca -0.02 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 55.44 1u3h s SER 144 Cb -0.04 -0.23 0.20 0.00 0.10 0.00 0.00 66.02 66.06 1u3h s SER 144 CO -0.02 0.11 1.12 0.42 0.98 0.00 0.00 173.24 175.85 1u3h s THR 145 N -1.57 1.91 0.87 2.02 -4.23 0.36 -4.98 115.64 110.02 1u3h s THR 145 Ca 0.18 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 1u3h s THR 145 Cb -0.08 -2.57 0.16 0.00 1.34 0.00 0.00 72.50 71.35 1u3h s THR 145 CO 0.08 0.00 1.20 -1.10 -0.54 0.00 0.00 174.62 174.27 1u3h s GLN 146 N -5.18 1.12 0.20 3.99 -0.21 -1.26 -4.72 119.66 113.60 1u3h s GLN 146 Ca 0.67 -0.55 -0.32 0.00 0.02 0.00 0.00 55.36 55.18 1u3h s GLN 146 Cb -0.15 -2.00 -0.11 0.00 1.00 0.00 0.00 33.01 31.74 1u3h s GLN 146 CO 0.56 -2.02 1.67 -1.17 -2.12 0.00 0.00 175.29 172.21 1u3h s LEU 147 N -5.63 4.37 -0.26 2.90 2.96 -1.26 -4.77 118.68 116.99 1u3h s LEU 147 Ca 0.70 2.81 -0.08 0.00 -0.22 0.00 0.00 54.13 57.33 1u3h s LEU 147 Cb -0.05 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1u3h s LEU 147 CO 0.50 -0.92 0.10 -0.63 -1.32 0.00 0.00 176.35 174.08 1u3h s ILE 148 N 1.05 4.59 -0.26 6.68 1.01 -0.53 -5.00 121.20 128.75 1u3h s ILE 148 Ca 0.72 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 61.09 1u3h s ILE 148 Cb -0.48 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1u3h s ILE 148 CO 0.33 0.31 0.63 -0.60 0.00 0.00 0.00 174.94 175.62 1u3h s ARG 149 N 1.65 4.10 0.27 2.79 3.52 -1.26 -2.06 118.95 127.96 1u3h s ARG 149 Ca 0.07 0.54 0.25 0.00 -0.13 0.00 0.00 55.73 56.46 1u3h s ARG 149 Cb -0.15 -3.66 0.69 0.00 -1.56 0.00 0.00 34.95 30.28 1u3h s ARG 149 CO 0.06 -0.43 1.73 -0.91 -0.81 0.00 0.00 175.30 174.94 1u3h h ASN 150 N 7.91 0.00 0.00 -2.12 -0.26 -1.77 -3.47 115.58 115.88 1u3h h ASN 150 Ca -0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 1u3h h ASN 150 Cb 1.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1u3h h ASN 150 CO 0.78 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.76 1u3h n GLY 151 N 1.24 1.20 0.62 2.83 0.00 -1.26 -4.84 105.19 104.98 1u3h n GLY 151 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 3.32 -0.65 1.61 5.75 -1.26 -4.95 116.55 120.37 1u3h n ASP 152 Ca 0.00 -2.89 -0.03 0.00 -0.01 0.00 0.00 54.79 51.86 1u3h n ASP 152 Cb 0.00 -0.46 0.01 0.00 -1.03 0.00 0.00 41.12 39.63 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 -0.64 -0.28 -3.96 2.11 7.02 -1.26 -5.06 117.44 115.37 1u3h n TRP 153 Ca 0.18 0.08 -0.09 0.00 -1.02 0.00 0.00 57.50 56.64 1u3h n TRP 153 Cb 0.76 -1.50 -0.07 0.00 -2.42 0.00 0.00 31.31 28.08 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 -2.63 0.10 0.29 -0.99 -4.23 -1.26 -4.78 115.64 102.13 1u3h s THR 154 Ca 0.04 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1u3h s THR 154 Cb -0.02 -1.72 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 1u3h s THR 154 CO 0.05 -0.43 0.06 -0.36 -0.54 0.00 0.00 174.62 173.40 1u3h s PHE 155 N -3.95 1.76 0.08 3.99 0.08 -0.09 -2.00 117.98 117.84 1u3h s PHE 155 Ca 0.14 -1.03 -0.16 0.00 0.12 0.00 0.00 56.93 56.01 1u3h s PHE 155 Cb 0.04 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1u3h s PHE 155 CO -0.03 -0.12 0.37 1.14 -0.10 0.00 0.00 175.22 176.49 1u3h s GLN 156 N -3.94 0.95 -0.12 0.44 -2.07 -0.88 -0.99 119.66 113.06 1u3h s GLN 156 Ca 0.36 -0.55 -0.09 0.00 -1.82 0.00 0.00 55.36 53.26 1u3h s GLN 156 Cb 0.08 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1u3h s GLN 156 CO 0.14 -0.34 0.30 0.54 -1.32 0.00 0.00 175.29 174.61 1u3h s VAL 157 N -3.06 -0.01 -0.09 3.63 0.11 -0.42 -1.45 120.40 119.11 1u3h s VAL 157 Ca -0.02 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 1u3h s VAL 157 Cb 0.01 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1u3h s VAL 157 CO -0.07 0.02 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.87 1u3h s LEU 158 N 0.58 2.97 -0.12 2.54 1.43 -1.26 -1.85 118.68 122.97 1u3h s LEU 158 Ca -0.03 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1u3h s LEU 158 Cb -0.05 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1u3h s LEU 158 CO -0.03 0.29 -0.11 -0.69 0.23 0.00 0.00 176.35 176.04 1u3h s VAL 159 N -0.39 1.25 0.07 -1.59 1.01 -0.67 -0.49 120.40 119.59 1u3h s VAL 159 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1u3h s VAL 159 Cb -0.12 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1u3h s VAL 159 CO 0.02 0.40 0.16 -0.04 0.00 0.00 0.00 175.10 175.64 1u3h s MET 160 N 1.48 3.21 -0.16 2.72 -1.94 0.18 -0.11 119.30 124.69 1u3h s MET 160 Ca 0.02 -0.55 -0.03 0.00 -1.71 0.00 0.00 55.69 53.42 1u3h s MET 160 Cb -0.13 -2.91 0.05 0.00 2.01 0.00 0.00 34.83 33.85 1u3h s MET 160 CO -0.07 0.59 0.05 -1.17 -0.01 0.00 0.00 175.02 174.41 1u3h s LEU 161 N -2.48 0.76 -0.15 -0.03 2.96 -0.40 -1.33 118.68 118.02 1u3h s LEU 161 Ca 0.33 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1u3h s LEU 161 Cb -0.13 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 1u3h s LEU 161 CO 0.26 -0.30 1.42 -1.61 -1.32 0.00 0.00 176.35 174.79 1u3h s GLU 162 N 1.98 4.15 0.30 1.98 0.41 0.18 -1.71 118.70 126.00 1u3h s GLU 162 Ca 0.01 1.79 0.01 0.00 -0.41 0.00 0.00 54.97 56.37 1u3h s GLU 162 Cb -0.16 -3.87 -0.02 0.00 -1.78 0.00 0.00 34.13 28.31 1u3h s GLU 162 CO -0.08 -0.84 0.34 0.00 -0.49 0.00 0.00 175.26 174.19 1u3h s MET 163 N 3.83 1.69 -0.34 1.61 0.23 -0.71 -4.69 119.30 120.93 1u3h s MET 163 Ca 0.62 -1.80 -0.00 0.00 -1.03 0.00 0.00 55.69 53.48 1u3h s MET 163 Cb -0.25 0.37 0.11 0.00 -1.53 0.00 0.00 34.83 33.53 1u3h s MET 163 CO 0.21 -0.65 0.14 0.99 -2.03 0.00 0.00 175.02 173.68 1u3h s THR 164 N -3.48 0.79 0.34 3.16 2.01 -1.25 -1.67 115.64 115.55 1u3h s THR 164 Ca 0.35 -1.59 -0.27 0.00 0.31 0.00 0.00 61.69 60.49 1u3h s THR 164 Cb 0.02 -1.59 -0.13 0.00 0.01 0.00 0.00 72.50 70.81 1u3h s THR 164 CO 0.21 -0.76 1.10 -0.81 -0.69 0.00 0.00 174.62 173.67 1u3h n PRO 165 N 4.55 1.61 -2.37 4.92 -0.04 -1.26 -4.82 135.00 137.59 1u3h n PRO 165 Ca 0.01 0.57 -0.03 0.00 -0.04 0.00 0.00 63.50 64.01 1u3h n PRO 165 Cb 0.40 -2.05 -0.01 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.52 0.07 -2.39 0.54 1.74 -1.26 -3.49 116.66 112.40 1u3h n ARG 166 Ca 0.08 -0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 56.17 1u3h n ARG 166 Cb 0.35 0.48 -0.03 0.00 -1.02 0.00 0.00 32.46 32.24 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 -2.23 4.51 -0.63 5.56 1.70 -1.26 -3.67 118.95 122.93 1u3h s ARG 167 Ca 0.07 1.86 0.00 0.00 -0.47 0.00 0.00 55.73 57.19 1u3h s ARG 167 Cb 0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 34.95 31.15 1u3h s ARG 167 CO 0.05 -0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.62 1u3h n GLY 168 N 2.07 0.56 3.70 3.88 0.00 -1.26 -4.89 105.19 109.26 1u3h n GLY 168 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.38 4.44 -0.20 1.61 2.12 -1.24 -5.04 118.70 118.02 1u3h s GLU 169 Ca 0.00 1.17 -0.04 0.00 0.36 0.00 0.00 54.97 56.46 1u3h s GLU 169 Cb 0.00 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1u3h s GLU 169 CO 0.00 -0.13 -0.04 0.08 -0.54 0.00 0.00 175.26 174.63 1u3h s VAL 170 N 1.39 3.53 -0.09 3.70 1.01 -1.26 -4.19 120.40 124.48 1u3h s VAL 170 Ca 0.44 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1u3h s VAL 170 Cb -0.19 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1u3h s VAL 170 CO 0.20 0.44 0.07 -0.31 0.00 0.00 0.00 175.10 175.50 1u3h s TYR 171 N 1.10 3.35 -0.01 5.22 1.51 -0.81 -0.32 117.35 127.40 1u3h s TYR 171 Ca 0.01 0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1u3h s TYR 171 Cb -0.15 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1u3h s TYR 171 CO -0.00 0.59 -0.05 0.99 -1.11 0.00 0.00 175.55 175.97 1u3h s THR 172 N -0.99 0.42 -0.26 -0.71 2.01 0.34 -0.32 115.64 116.12 1u3h s THR 172 Ca 0.15 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 1u3h s THR 172 Cb -0.12 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1u3h s THR 172 CO 0.05 0.13 0.09 0.00 -0.69 0.00 0.00 174.62 174.20 1u3h s HIS 174 N 1.63 3.11 -0.09 0.00 2.46 0.03 -1.80 115.29 120.64 1u3h s HIS 174 Ca 0.06 -0.29 0.02 0.00 0.47 0.00 0.00 55.06 55.32 1u3h s HIS 174 Cb -0.15 -2.16 0.02 0.00 -0.13 0.00 0.00 32.58 30.15 1u3h s HIS 174 CO 0.05 -0.19 -0.13 0.08 -2.47 0.00 0.00 174.74 172.08 1u3h s VAL 175 N 1.13 1.25 -0.08 0.89 1.01 0.03 -0.85 120.40 123.78 1u3h s VAL 175 Ca 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1u3h s VAL 175 Cb -0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1u3h s VAL 175 CO 0.03 0.39 -0.24 -1.61 0.00 0.00 0.00 175.10 173.67 1u3h s GLU 176 N 0.92 2.84 -0.13 2.72 2.02 -0.76 -0.83 118.70 125.47 1u3h s GLU 176 Ca -0.09 -0.88 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 1u3h s GLU 176 Cb -0.15 -2.26 0.05 0.00 0.10 0.00 0.00 34.13 31.87 1u3h s GLU 176 CO 0.00 0.28 0.53 -1.58 0.02 0.00 0.00 175.26 174.51 1u3h s HIS 177 N 0.10 -0.53 0.66 1.61 2.46 -1.26 -1.89 115.29 116.44 1u3h s HIS 177 Ca -0.11 1.15 0.20 0.00 0.47 0.00 0.00 55.06 56.77 1u3h s HIS 177 Cb -0.16 0.23 1.09 0.00 -0.13 0.00 0.00 32.58 33.61 1u3h s HIS 177 CO 0.06 -0.38 1.61 -1.35 -2.47 0.00 0.00 174.74 172.22 1u3h h PRO 178 N 4.50 0.00 -0.01 2.88 0.11 -1.95 0.34 132.00 137.88 1u3h h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1u3h h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u3h h PRO 178 CO 0.26 0.00 -0.07 -1.13 -0.21 0.00 0.00 178.00 176.85 1u3h n SER 179 N -2.80 1.45 -4.55 -2.05 3.41 -1.26 -4.85 113.62 102.97 1u3h n SER 179 Ca -0.01 -1.37 -0.34 0.00 -0.26 0.00 0.00 58.87 56.89 1u3h n SER 179 Cb 0.61 0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.13 3.08 -0.01 1.04 1.43 0.12 -4.86 118.68 117.36 1u3h s LEU 180 Ca 0.34 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1u3h s LEU 180 Cb 0.20 -1.67 -0.25 0.00 0.03 0.00 0.00 46.19 44.51 1u3h s LEU 180 CO 0.38 0.35 0.81 0.11 0.23 0.00 0.00 176.35 178.23 1u3h h LYS 181 N 5.36 0.13 -5.75 1.70 1.57 -1.89 -3.44 116.57 114.25 1u3h h LYS 181 Ca -0.47 -0.22 -0.49 0.00 -1.87 0.00 0.00 60.65 57.60 1u3h h LYS 181 Cb 1.17 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 1u3h h LYS 181 CO 0.52 0.90 -0.75 -1.12 -0.57 0.00 0.00 179.45 178.44 1u3h s SER 182 N -6.65 2.78 0.42 0.86 0.01 -1.26 -5.13 113.70 104.73 1u3h s SER 182 Ca -0.07 -0.99 -0.24 0.00 1.31 0.00 0.00 55.95 55.95 1u3h s SER 182 Cb 0.08 -0.17 -0.08 0.00 0.21 0.00 0.00 66.02 66.05 1u3h s SER 182 CO 0.83 -0.11 1.12 -2.84 0.41 0.00 0.00 173.24 172.65 1u3h s PRO 183 N -3.46 4.01 0.13 12.44 0.02 -1.26 -4.91 135.00 141.97 1u3h s PRO 183 Ca 0.23 1.69 -0.19 0.00 0.02 0.00 0.00 61.00 62.74 1u3h s PRO 183 Cb -0.02 -2.54 -0.07 0.00 0.02 0.00 0.00 34.50 31.88 1u3h s PRO 183 CO 0.08 -0.32 0.62 0.42 -0.33 0.00 0.00 177.00 177.48 1u3h s ILE 184 N -1.55 4.68 -0.03 2.83 1.01 -0.01 -4.90 121.20 123.23 1u3h s ILE 184 Ca 0.59 1.21 -0.01 0.00 0.00 0.00 0.00 60.65 62.45 1u3h s ILE 184 Cb -0.27 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1u3h s ILE 184 CO 0.33 0.42 0.04 0.42 0.00 0.00 0.00 174.94 176.15 1u3h s THR 185 N -1.27 -0.05 -0.01 2.92 -4.23 -1.26 -0.79 115.64 110.95 1u3h s THR 185 Ca 0.34 0.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 1u3h s THR 185 Cb -0.18 -0.13 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1u3h s THR 185 CO 0.20 0.13 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.49 1u3h s VAL 186 N 1.48 2.28 0.14 2.29 1.01 -0.74 -4.95 120.40 121.90 1u3h s VAL 186 Ca -0.04 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 60.93 1u3h s VAL 186 Cb -0.13 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1u3h s VAL 186 CO -0.03 0.54 -0.08 -1.61 0.00 0.00 0.00 175.10 173.91 1u3h s GLU 187 N -0.77 2.15 -0.05 2.72 2.02 -1.26 -0.70 118.70 122.80 1u3h s GLU 187 Ca 0.11 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 53.99 1u3h s GLU 187 Cb -0.10 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.89 1u3h s GLU 187 CO 0.00 0.47 -0.04 -0.46 0.02 0.00 0.00 175.26 175.26 1u3h s TRP 188 N -1.46 0.72 -0.08 1.61 -0.00 0.56 -4.99 118.94 115.29 1u3h s TRP 188 Ca 0.24 -0.19 0.04 0.00 -0.00 0.00 0.00 56.10 56.18 1u3h s TRP 188 Cb -0.10 -0.67 -0.01 0.00 -0.00 0.00 0.00 33.47 32.69 1u3h s TRP 188 CO 0.15 -0.21 -0.22 1.03 -0.00 0.00 0.00 176.95 177.70 1u3h s ARG 189 N 1.05 2.83 0.00 5.86 0.52 -1.26 -1.93 118.95 126.01 1u3h s ARG 189 Ca -0.09 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1u3h s ARG 189 Cb -0.14 -2.29 0.21 0.00 0.52 0.00 0.00 34.95 33.26 1u3h s ARG 189 CO -0.01 0.31 0.69 0.00 0.02 0.00 0.00 175.30 176.32