#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1muj n GLU 4 N 0.00 1.77 -3.72 -1.46 2.13 -1.26 -5.01 120.64 113.09 1muj n GLU 4 Ca 0.00 -0.05 -0.33 0.00 0.66 0.00 0.00 57.16 57.43 1muj n GLU 4 Cb 0.00 -1.11 -0.05 0.00 0.27 0.00 0.00 31.44 30.55 1muj n GLU 4 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1muj s ARG 5 N -2.35 3.61 -0.18 5.31 0.52 -1.26 -5.07 118.95 119.54 1muj s ARG 5 Ca -0.01 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1muj s ARG 5 Cb 0.06 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1muj s ARG 5 CO 0.39 0.58 1.03 -1.58 0.02 0.00 0.00 175.30 175.74 1muj s HIS 6 N -1.44 3.41 0.09 -0.53 5.65 -1.26 -5.04 115.29 116.17 1muj s HIS 6 Ca 0.33 1.52 0.08 0.00 0.25 0.00 0.00 55.06 57.24 1muj s HIS 6 Cb -0.13 -3.24 -0.03 0.00 -1.18 0.00 0.00 32.58 28.00 1muj s HIS 6 CO 0.20 -0.38 -0.20 -0.06 -0.65 0.00 0.00 174.74 173.65 1muj s PHE 7 N 2.71 1.73 -0.19 3.88 0.08 -1.26 -5.12 117.98 119.81 1muj s PHE 7 Ca 0.46 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 1muj s PHE 7 Cb -0.16 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1muj s PHE 7 CO 0.11 0.17 -0.13 0.08 -0.10 0.00 0.00 175.22 175.34 1muj s VAL 8 N -1.08 2.65 -0.06 -0.44 1.01 -1.26 -5.01 120.40 116.21 1muj s VAL 8 Ca 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1muj s VAL 8 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1muj s VAL 8 CO 0.03 0.49 -0.09 -0.47 0.00 0.00 0.00 175.10 175.07 1muj s TYR 9 N 1.27 2.86 -0.04 5.22 6.14 -1.26 -1.00 117.35 130.55 1muj s TYR 9 Ca 0.03 -0.03 -0.03 0.00 0.64 0.00 0.00 57.07 57.68 1muj s TYR 9 Cb -0.14 -1.68 0.01 0.00 0.42 0.00 0.00 41.96 40.57 1muj s TYR 9 CO -0.07 0.29 0.10 -1.14 0.64 0.00 0.00 175.55 175.37 1muj s GLN 10 N -0.83 0.11 0.05 4.97 0.74 0.27 -5.01 119.66 119.96 1muj s GLN 10 Ca 0.12 0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.68 1muj s GLN 10 Cb -0.11 0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 1muj s GLN 10 CO 0.02 -0.01 -0.07 0.12 -0.55 0.00 0.00 175.29 174.79 1muj s PHE 11 N 0.04 0.68 -0.07 1.67 5.36 -1.26 0.98 117.98 125.38 1muj s PHE 11 Ca -0.00 -0.57 -0.30 0.00 -0.96 0.00 0.00 56.93 55.09 1muj s PHE 11 Cb -0.01 -0.41 0.09 0.00 -0.34 0.00 0.00 43.02 42.35 1muj s PHE 11 CO 0.00 -0.10 0.79 0.00 -1.46 0.00 0.00 175.22 174.45 1muj s MET 12 N -1.95 0.91 -0.30 10.12 0.23 -0.84 -5.00 119.30 122.46 1muj s MET 12 Ca -0.07 0.16 0.02 0.00 -1.03 0.00 0.00 55.69 54.78 1muj s MET 12 Cb -0.07 0.43 0.08 0.00 -1.53 0.00 0.00 34.83 33.73 1muj s MET 12 CO -0.01 -0.30 -0.02 0.20 -2.03 0.00 0.00 175.02 172.87 1muj s GLY 13 N -1.30 1.79 -0.19 3.16 0.00 -1.26 -1.46 107.32 108.06 1muj s GLY 13 Ca -0.07 -2.08 -0.12 0.00 0.00 0.00 0.00 44.72 42.46 1muj s GLY 13 CO 0.05 0.76 0.20 -0.54 0.00 0.00 0.00 173.10 173.58 1muj s GLU 14 N 1.06 4.21 -0.30 2.90 2.02 0.51 -4.98 118.70 124.12 1muj s GLU 14 Ca -0.01 -0.09 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 1muj s GLU 14 Cb -0.20 -3.43 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1muj s GLU 14 CO -0.05 0.25 -0.00 0.00 0.02 0.00 0.00 175.26 175.48 1muj s TYR 16 N 1.21 3.21 -0.02 0.00 2.02 -0.47 -4.98 117.35 118.31 1muj s TYR 16 Ca -0.04 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1muj s TYR 16 Cb -0.20 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1muj s TYR 16 CO -0.02 -0.43 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.43 1muj s PHE 17 N 2.20 3.00 -0.14 2.71 0.08 -1.26 -1.90 117.98 122.67 1muj s PHE 17 Ca 0.16 0.04 -0.06 0.00 0.12 0.00 0.00 56.93 57.18 1muj s PHE 17 Cb -0.16 -1.67 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 1muj s PHE 17 CO 0.12 0.41 0.31 0.99 -0.10 0.00 0.00 175.22 176.95 1muj s THR 18 N -0.98 -0.16 -0.94 0.64 2.01 -1.03 -4.84 115.64 110.33 1muj s THR 18 Ca 0.17 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1muj s THR 18 Cb -0.11 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1muj s THR 18 CO 0.07 0.07 0.79 -3.20 -0.69 0.00 0.00 174.62 171.65 1muj n ASN 19 N 4.55 -2.70 0.00 3.53 2.85 -1.26 -2.75 115.26 119.47 1muj n ASN 19 Ca -0.20 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 53.76 1muj n ASN 19 Cb 0.53 -4.23 0.00 0.00 1.24 0.00 0.00 39.78 37.32 1muj n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1muj n GLY 20 N -1.14 1.66 0.30 8.20 0.00 -1.26 -2.30 105.19 110.66 1muj n GLY 20 Ca -0.20 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1muj n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1muj n THR 21 N 0.00 0.00 -0.45 2.61 -2.24 -1.26 -4.28 114.28 108.67 1muj n THR 21 Ca 0.00 -0.16 0.37 0.00 -2.27 0.00 0.00 64.05 62.00 1muj n THR 21 Cb 0.00 0.63 0.65 0.00 -2.10 0.00 0.00 70.33 69.52 1muj n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1muj h GLN 22 N 1.48 0.07 -4.07 -0.78 1.08 -1.62 -3.35 115.11 107.91 1muj h GLN 22 Ca 0.00 -0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.81 1muj h GLN 22 Cb 0.57 -0.02 -0.33 0.00 -0.05 0.00 0.00 27.48 27.66 1muj h GLN 22 CO 0.00 0.05 -0.77 0.50 -0.95 0.00 0.00 178.83 177.66 1muj s ARG 23 N -5.30 0.68 -0.15 1.46 3.52 -1.11 -5.05 118.95 112.99 1muj s ARG 23 Ca -0.08 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1muj s ARG 23 Cb 0.30 -0.70 0.06 0.00 -1.56 0.00 0.00 34.95 33.06 1muj s ARG 23 CO 0.82 -0.03 0.13 0.42 -0.81 0.00 0.00 175.30 175.83 1muj s ILE 24 N 0.67 -0.18 -0.08 4.11 1.01 -1.26 -2.46 121.20 123.01 1muj s ILE 24 Ca -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1muj s ILE 24 Cb -0.12 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1muj s ILE 24 CO -0.00 -0.15 0.07 -0.60 0.00 0.00 0.00 174.94 174.26 1muj s ARG 25 N 2.22 3.16 -0.13 2.79 3.52 -0.80 -4.97 118.95 124.74 1muj s ARG 25 Ca 0.04 -0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1muj s ARG 25 Cb -0.15 -2.94 0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1muj s ARG 25 CO -0.09 0.71 -0.07 -0.47 -0.81 0.00 0.00 175.30 174.58 1muj s TYR 26 N -1.01 1.51 0.02 5.12 5.04 -1.26 -1.37 117.35 125.40 1muj s TYR 26 Ca 0.16 -0.82 0.08 0.00 -2.44 0.00 0.00 57.07 54.06 1muj s TYR 26 Cb -0.12 -1.24 -0.02 0.00 0.35 0.00 0.00 41.96 40.93 1muj s TYR 26 CO 0.06 -0.54 -0.24 0.08 -1.34 0.00 0.00 175.55 173.57 1muj s VAL 27 N 1.70 1.95 -0.09 3.14 1.01 -0.55 -0.02 120.40 127.54 1muj s VAL 27 Ca 0.04 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.87 1muj s VAL 27 Cb -0.13 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1muj s VAL 27 CO -0.08 0.41 -0.23 -0.89 0.00 0.00 0.00 175.10 174.31 1muj s THR 28 N -0.70 2.00 -0.05 3.92 2.01 0.40 -0.36 115.64 122.86 1muj s THR 28 Ca 0.10 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1muj s THR 28 Cb -0.09 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1muj s THR 28 CO 0.01 0.55 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.23 1muj s ARG 29 N 0.23 1.50 -0.20 4.92 0.52 -0.54 -1.36 118.95 124.03 1muj s ARG 29 Ca -0.15 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1muj s ARG 29 Cb -0.17 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 1muj s ARG 29 CO 0.07 0.11 -0.04 0.71 0.02 0.00 0.00 175.30 176.17 1muj s TYR 30 N 0.35 2.96 -0.03 -0.53 1.51 -0.80 -1.99 117.35 118.82 1muj s TYR 30 Ca -0.08 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.33 1muj s TYR 30 Cb -0.12 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1muj s TYR 30 CO 0.02 -0.38 -0.24 0.42 -1.11 0.00 0.00 175.55 174.26 1muj s ILE 31 N 1.10 1.92 -0.04 2.71 1.09 0.28 -1.76 121.20 126.49 1muj s ILE 31 Ca 0.01 -1.03 0.01 0.00 -1.10 0.00 0.00 60.65 58.54 1muj s ILE 31 Cb -0.15 -1.60 0.02 0.00 -1.06 0.00 0.00 42.46 39.68 1muj s ILE 31 CO -0.00 0.54 -0.02 -0.47 -0.10 0.00 0.00 174.94 174.89 1muj s TYR 32 N -0.47 0.58 -1.45 3.97 5.04 0.28 -0.56 117.35 124.74 1muj s TYR 32 Ca 0.07 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.53 1muj s TYR 32 Cb -0.10 -0.59 0.03 0.00 0.35 0.00 0.00 41.96 41.65 1muj s TYR 32 CO -0.00 -0.18 0.59 -1.71 -1.34 0.00 0.00 175.55 172.91 1muj n ASN 33 N 4.21 -1.45 -0.26 4.32 5.15 -0.17 -0.21 115.26 126.85 1muj n ASN 33 Ca -0.23 -0.94 -0.03 0.00 -0.60 0.00 0.00 54.58 52.77 1muj n ASN 33 Cb 0.51 -3.31 -0.01 0.00 -0.53 0.00 0.00 39.78 36.43 1muj n ASN 33 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1muj n ARG 34 N -4.41 -0.95 -4.51 1.20 1.74 -1.26 -4.99 116.66 103.48 1muj n ARG 34 Ca -0.21 0.46 -0.27 0.00 -0.77 0.00 0.00 57.85 57.05 1muj n ARG 34 Cb 0.64 -4.30 -0.17 0.00 -1.02 0.00 0.00 32.46 27.61 1muj n ARG 34 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1muj s GLU 35 N -1.63 2.08 -0.14 5.56 2.12 0.71 -5.10 118.70 122.29 1muj s GLU 35 Ca 0.00 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 1muj s GLU 35 Cb 0.00 -1.76 -0.01 0.00 0.26 0.00 0.00 34.13 32.62 1muj s GLU 35 CO 0.00 -0.03 1.19 -2.00 -0.54 0.00 0.00 175.26 173.88 1muj s GLU 36 N 0.90 4.28 -0.15 4.30 2.12 -1.26 0.10 118.70 128.99 1muj s GLU 36 Ca -0.09 1.59 0.03 0.00 0.36 0.00 0.00 54.97 56.87 1muj s GLU 36 Cb -0.15 -3.67 -0.11 0.00 0.26 0.00 0.00 34.13 30.46 1muj s GLU 36 CO 0.00 -0.59 -0.10 2.48 -0.54 0.00 0.00 175.26 176.51 1muj n TYR 37 N 6.04 0.00 -4.15 5.30 4.11 -0.72 -4.01 117.16 123.73 1muj n TYR 37 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.89 1muj n TYR 37 Cb 0.46 -0.60 -0.11 0.00 -0.00 0.00 0.00 39.34 39.09 1muj n TYR 37 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1muj s VAL 38 N -2.31 0.80 -0.04 -3.48 0.11 -1.24 -0.08 120.40 114.15 1muj s VAL 38 Ca -0.18 -1.63 -0.29 0.00 -2.93 0.00 0.00 61.98 56.95 1muj s VAL 38 Cb 0.05 -1.32 0.10 0.00 -1.53 0.00 0.00 36.38 33.67 1muj s VAL 38 CO 0.39 -0.62 0.82 -0.60 -3.33 0.00 0.00 175.10 171.75 1muj s ARG 39 N -2.89 0.89 -0.19 1.54 3.52 -0.06 -1.91 118.95 119.85 1muj s ARG 39 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1muj s ARG 39 Cb -0.02 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 1muj s ARG 39 CO -0.01 -0.33 -0.18 -0.47 -0.81 0.00 0.00 175.30 173.50 1muj s TYR 40 N -2.08 2.81 -0.15 5.12 5.04 -0.46 0.17 117.35 127.80 1muj s TYR 40 Ca -0.02 -1.58 -0.03 0.00 -2.44 0.00 0.00 57.07 52.99 1muj s TYR 40 Cb -0.01 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.34 1muj s TYR 40 CO -0.01 -0.78 -0.05 0.34 -1.34 0.00 0.00 175.55 173.70 1muj s ASP 41 N 1.31 4.63 0.45 4.32 -1.08 -1.26 -0.45 116.67 124.59 1muj s ASP 41 Ca 0.05 -0.18 0.11 0.00 -0.52 0.00 0.00 52.55 52.00 1muj s ASP 41 Cb -0.13 -1.75 1.02 0.00 -1.46 0.00 0.00 42.92 40.60 1muj s ASP 41 CO -0.12 0.16 2.09 0.77 0.52 0.00 0.00 175.17 178.59 1muj h SER 42 N 6.79 0.29 -0.13 -0.34 4.64 -0.81 -1.01 113.55 122.99 1muj h SER 42 Ca -0.31 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1muj h SER 42 Cb 1.19 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1muj h SER 42 CO 0.61 0.21 -0.16 0.44 -0.87 0.00 0.00 176.83 177.06 1muj h ASP 43 N 0.34 0.50 1.76 4.97 5.19 -1.95 -2.57 116.42 124.67 1muj h ASP 43 Ca 0.11 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1muj h ASP 43 Cb 0.01 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 1muj h ASP 43 CO -0.02 0.68 -0.24 0.58 -3.12 0.00 0.00 179.24 177.12 1muj h VAL 44 N 0.47 0.04 0.00 -1.35 2.07 -1.69 -3.48 116.25 112.31 1muj h VAL 44 Ca 0.08 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1muj h VAL 44 Cb 0.55 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1muj h VAL 44 CO 0.04 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1muj n GLY 45 N 1.12 2.98 3.59 2.17 0.00 -0.48 -4.95 105.19 109.61 1muj n GLY 45 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1muj n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1muj s GLU 46 N -0.03 1.76 0.17 1.61 -1.05 -1.26 -4.95 118.70 114.95 1muj s GLU 46 Ca 0.00 -1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 53.07 1muj s GLU 46 Cb 0.00 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.09 1muj s GLU 46 CO 0.00 -0.75 1.35 -1.01 0.95 0.00 0.00 175.26 175.80 1muj s HIS 47 N -3.47 3.23 0.03 4.83 3.76 -1.26 -4.03 115.29 118.38 1muj s HIS 47 Ca 0.24 1.11 0.06 0.00 -0.15 0.00 0.00 55.06 56.32 1muj s HIS 47 Cb -0.01 -3.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.01 1muj s HIS 47 CO 0.13 -2.13 -0.19 1.03 -0.85 0.00 0.00 174.74 172.73 1muj s ARG 48 N 0.30 1.31 -0.75 1.40 1.81 0.13 -4.76 118.95 118.38 1muj s ARG 48 Ca 0.60 -0.85 -0.27 0.00 -1.72 0.00 0.00 55.73 53.49 1muj s ARG 48 Cb -0.37 -1.37 0.03 0.00 -0.45 0.00 0.00 34.95 32.78 1muj s ARG 48 CO 0.36 0.35 1.35 0.00 -0.68 0.00 0.00 175.30 176.68 1muj s ALA 49 N -0.74 2.68 0.23 2.13 0.00 -1.26 -0.88 121.76 123.92 1muj s ALA 49 Ca 0.06 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 50.56 1muj s ALA 49 Cb -0.08 -4.29 0.26 0.00 0.00 0.00 0.00 23.12 19.00 1muj s ALA 49 CO 0.01 -3.39 1.87 0.28 0.00 0.00 0.00 175.76 174.54 1muj h VAL 50 N 6.19 1.13 -1.05 0.00 2.07 -0.79 -3.44 116.25 120.35 1muj h VAL 50 Ca -0.23 -0.36 -0.64 0.00 0.82 0.00 0.00 66.70 66.29 1muj h VAL 50 Cb 1.06 -0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.69 1muj h VAL 50 CO 1.29 0.19 -0.54 0.28 0.02 0.00 0.00 177.57 178.81 1muj s THR 51 N -6.10 1.26 0.04 2.57 -1.32 0.67 -4.95 115.64 107.82 1muj s THR 51 Ca -0.13 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.12 1muj s THR 51 Cb 0.17 -2.39 -0.15 0.00 -1.51 0.00 0.00 72.50 68.61 1muj s THR 51 CO 0.79 0.00 1.50 1.05 -2.21 0.00 0.00 174.62 175.75 1muj h GLU 52 N 1.53 0.11 0.00 7.08 9.09 -1.85 -2.63 114.58 127.91 1muj h GLU 52 Ca -0.43 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1muj h GLU 52 Cb 1.29 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1muj h GLU 52 CO 0.73 0.35 0.24 -0.11 0.05 0.00 0.00 179.01 180.26 1muj n LEU 53 N -4.89 0.11 0.06 3.06 0.00 -1.26 -0.68 117.00 113.40 1muj n LEU 53 Ca -0.07 0.38 0.11 0.00 0.00 0.00 0.00 56.01 56.44 1muj n LEU 53 Cb 0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 43.42 43.18 1muj n LEU 53 CO 0.34 -0.42 -0.22 0.61 0.00 0.00 0.00 177.39 177.70 1muj n GLY 54 N -1.29 -1.28 0.32 -3.96 0.00 -0.99 -4.47 105.19 93.52 1muj n GLY 54 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 1muj n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1muj h ARG 55 N 0.00 -0.15 -0.74 1.61 3.08 -1.00 -0.80 114.38 116.38 1muj h ARG 55 Ca 0.00 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.23 1muj h ARG 55 Cb 0.95 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.91 1muj h ARG 55 CO 0.00 -0.10 0.06 -1.35 -1.07 0.00 0.00 179.97 177.51 1muj h PRO 56 N -0.16 0.14 -0.13 0.04 0.11 -1.79 -2.56 132.00 127.66 1muj h PRO 56 Ca 0.23 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.12 1muj h PRO 56 Cb 0.53 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1muj h PRO 56 CO -0.64 0.09 -0.76 -0.44 -0.21 0.00 0.00 178.00 176.05 1muj h ASP 57 N 0.15 0.79 0.15 -2.05 3.32 -1.49 -1.30 116.42 115.99 1muj h ASP 57 Ca 0.41 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1muj h ASP 57 Cb 0.72 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1muj h ASP 57 CO -0.61 1.29 -0.18 0.00 -1.72 0.00 0.00 179.24 178.03 1muj h ALA 58 N 0.69 -0.33 -0.28 3.45 0.00 -0.80 0.57 119.26 122.56 1muj h ALA 58 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1muj h ALA 58 Cb 1.37 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1muj h ALA 58 CO 0.15 -0.71 0.07 0.93 0.00 0.00 0.00 179.25 179.68 1muj h GLU 59 N -0.37 0.45 -0.61 0.00 5.08 -1.59 -1.96 114.58 115.59 1muj h GLU 59 Ca 0.01 -0.11 0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1muj h GLU 59 Cb 0.36 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1muj h GLU 59 CO -0.07 0.53 0.17 -0.92 -1.00 0.00 0.00 179.01 177.73 1muj h TYR 60 N 0.29 0.29 0.00 4.33 3.20 -0.86 0.33 116.97 124.55 1muj h TYR 60 Ca 0.09 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 1muj h TYR 60 Cb 0.28 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1muj h TYR 60 CO 0.01 0.02 -0.90 -1.49 -1.64 0.00 0.00 178.16 174.16 1muj h TRP 61 N 0.32 0.00 0.00 -3.82 6.55 -0.87 -2.73 115.95 115.40 1muj h TRP 61 Ca 0.32 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.16 1muj h TRP 61 Cb 0.45 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1muj h TRP 61 CO -0.21 0.90 0.00 0.09 -1.05 0.00 0.00 178.44 178.17 1muj n ASN 62 N -3.46 0.26 -2.06 -3.49 3.02 -0.74 -2.81 115.26 105.99 1muj n ASN 62 Ca -0.00 0.55 -0.21 0.00 -0.03 0.00 0.00 54.58 54.89 1muj n ASN 62 Cb 0.86 -0.61 0.14 0.00 -0.61 0.00 0.00 39.78 39.56 1muj n ASN 62 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1muj n SER 63 N -1.77 4.07 -3.03 6.41 7.64 0.05 -4.55 113.62 122.44 1muj n SER 63 Ca 0.04 -3.38 -0.17 0.00 1.01 0.00 0.00 58.87 56.37 1muj n SER 63 Cb 0.24 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 1muj n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1muj n GLN 64 N -0.85 0.65 0.00 1.43 6.02 -1.12 -5.03 117.38 118.49 1muj n GLN 64 Ca 0.51 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1muj n GLN 64 Cb 1.39 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 31.28 1muj n GLN 64 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1muj n PRO 65 N 1.80 0.00 0.08 -1.09 -0.02 -1.26 0.12 135.00 134.63 1muj n PRO 65 Ca 0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 1muj n PRO 65 Cb 0.56 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.90 1muj n PRO 65 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1muj h GLU 66 N 0.00 0.20 -0.62 -0.52 4.81 -1.95 0.23 114.58 116.73 1muj h GLU 66 Ca 0.00 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1muj h GLU 66 Cb 0.00 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1muj h GLU 66 CO 0.00 1.13 0.26 0.82 -0.73 0.00 0.00 179.01 180.49 1muj h ILE 67 N 0.05 1.23 0.00 2.32 2.04 0.53 0.76 117.51 124.44 1muj h ILE 67 Ca -0.13 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1muj h ILE 67 Cb 1.94 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1muj h ILE 67 CO 0.18 0.28 -0.17 0.25 0.00 0.00 0.00 178.15 178.68 1muj h LEU 68 N 0.86 0.00 0.00 1.44 7.12 -0.99 -2.96 115.31 120.78 1muj h LEU 68 Ca 0.21 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1muj h LEU 68 Cb 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1muj h LEU 68 CO -0.02 0.02 -0.96 1.21 -0.13 0.00 0.00 178.44 178.56 1muj n GLU 69 N -2.46 0.12 0.08 1.25 2.13 0.81 -3.32 120.64 119.25 1muj n GLU 69 Ca 0.04 -0.01 -0.21 0.00 0.66 0.00 0.00 57.16 57.64 1muj n GLU 69 Cb 0.46 -1.53 -0.15 0.00 0.27 0.00 0.00 31.44 30.50 1muj n GLU 69 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1muj h ARG 70 N 0.00 0.37 -0.70 5.31 2.43 0.49 -3.06 114.38 119.22 1muj h ARG 70 Ca 0.00 -0.63 -0.01 0.00 -0.81 0.00 0.00 59.98 58.53 1muj h ARG 70 Cb 0.60 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1muj h ARG 70 CO 0.00 1.27 0.41 1.15 -1.51 0.00 0.00 179.97 181.29 1muj h THR 71 N 0.10 1.21 0.00 0.20 2.02 -1.63 -0.97 112.91 113.84 1muj h THR 71 Ca -0.30 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 1muj h THR 71 Cb 2.08 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1muj h THR 71 CO 0.19 0.22 -0.47 0.03 0.37 0.00 0.00 175.52 175.86 1muj h ARG 72 N 0.96 0.00 0.00 6.66 3.08 -1.66 -2.37 114.38 121.05 1muj h ARG 72 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1muj h ARG 72 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1muj h ARG 72 CO -0.04 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 1muj h ALA 73 N 1.53 1.00 0.00 0.04 0.00 -1.24 -3.24 119.26 117.35 1muj h ALA 73 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1muj h ALA 73 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1muj h ALA 73 CO 0.06 0.00 -0.01 0.93 0.00 0.00 0.00 179.25 180.23 1muj h GLU 74 N 0.00 0.00 0.00 0.00 5.08 -0.64 0.39 114.58 119.40 1muj h GLU 74 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1muj h GLU 74 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1muj h GLU 74 CO 0.00 0.01 -0.13 1.25 -1.00 0.00 0.00 179.01 179.14 1muj h LEU 75 N 0.00 0.00 0.00 1.33 6.46 -1.73 0.32 115.31 121.69 1muj h LEU 75 Ca -0.00 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.45 1muj h LEU 75 Cb 0.08 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1muj h LEU 75 CO 0.00 0.13 -2.16 -0.67 -0.62 0.00 0.00 178.44 175.12 1muj n ASP 76 N -3.78 1.85 -0.01 1.25 2.03 0.92 -1.75 116.55 117.06 1muj n ASP 76 Ca -0.02 -0.07 -0.08 0.00 0.52 0.00 0.00 54.79 55.15 1muj n ASP 76 Cb 0.23 0.15 0.10 0.00 -0.72 0.00 0.00 41.12 40.87 1muj n ASP 76 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1muj h THR 77 N 0.00 1.30 0.00 5.18 2.02 -0.31 -3.01 112.91 118.10 1muj h THR 77 Ca -0.46 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1muj h THR 77 Cb 1.83 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1muj h THR 77 CO -0.04 0.50 -0.11 0.52 0.37 0.00 0.00 175.52 176.77 1muj n VAL 78 N -4.02 0.29 0.03 3.16 0.31 0.11 -4.55 118.33 113.66 1muj n VAL 78 Ca -0.02 0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.54 1muj n VAL 78 Cb 0.52 -1.41 -0.01 0.00 -0.91 0.00 0.00 33.84 32.03 1muj n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1muj h ARG 80 N -0.13 0.61 -0.36 0.00 2.43 -1.52 0.44 114.38 115.85 1muj h ARG 80 Ca -0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1muj h ARG 80 Cb 0.12 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1muj h ARG 80 CO -0.02 0.40 -0.07 1.25 -1.51 0.00 0.00 179.97 180.02 1muj h HIS 81 N 0.63 0.76 -0.37 2.20 2.76 -1.45 -0.34 115.15 119.34 1muj h HIS 81 Ca 0.32 -0.16 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 1muj h HIS 81 Cb 0.28 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1muj h HIS 81 CO -0.10 0.82 -0.13 -0.91 -1.30 0.00 0.00 177.93 176.32 1muj h ASN 82 N 0.47 0.75 0.37 3.26 2.35 0.84 -2.61 115.58 121.02 1muj h ASN 82 Ca 0.09 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 1muj h ASN 82 Cb 0.57 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1muj h ASN 82 CO 0.03 0.96 -0.18 0.22 -1.65 0.00 0.00 177.43 176.82 1muj h TYR 83 N 0.53 -0.47 0.00 1.19 5.03 -0.89 -0.84 116.97 121.53 1muj h TYR 83 Ca 0.09 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1muj h TYR 83 Cb 0.66 0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.09 1muj h TYR 83 CO 0.05 -0.15 0.00 0.93 -1.32 0.00 0.00 178.16 177.67 1muj h GLU 84 N -0.77 0.00 0.00 1.82 5.08 -1.13 -3.06 114.58 116.52 1muj h GLU 84 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1muj h GLU 84 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1muj h GLU 84 CO 0.08 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1muj n GLY 84 N -0.23 0.21 0.30 -3.84 0.00 -0.98 -4.66 105.19 95.99 1muj n GLY 84 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1muj n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1muj h PRO 85 N 0.00 -0.09 -0.99 1.61 0.11 -1.70 -2.18 132.00 128.76 1muj h PRO 85 Ca 0.00 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.22 1muj h PRO 85 Cb 0.00 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.05 1muj h PRO 85 CO 0.00 -0.06 0.63 0.93 -0.21 0.00 0.00 178.00 179.29 1muj h GLU 86 N -0.09 1.01 0.00 1.05 4.39 -1.26 -1.25 114.58 118.42 1muj h GLU 86 Ca 0.27 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1muj h GLU 86 Cb 0.52 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1muj h GLU 86 CO -0.67 0.67 -0.12 1.79 -1.16 0.00 0.00 179.01 179.51 1muj h THR 87 N 1.04 0.54 0.00 1.13 1.35 -1.28 -0.09 112.91 115.60 1muj h THR 87 Ca 0.47 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1muj h THR 87 Cb 0.38 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1muj h THR 87 CO -0.24 0.12 -0.79 1.41 -0.25 0.00 0.00 175.52 175.78 1muj n HIS 88 N -3.59 0.38 0.00 4.73 8.25 -0.52 -4.15 115.22 120.32 1muj n HIS 88 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1muj n HIS 88 Cb 0.25 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1muj n HIS 88 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1muj n THR 89 N -1.99 0.00 0.00 1.59 -2.24 -0.90 -4.79 114.28 105.95 1muj n THR 89 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1muj n THR 89 Cb 0.43 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.39 1muj n THR 89 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1muj h SER 90 N 0.00 -1.44 0.15 3.42 0.02 -1.68 -1.97 113.55 112.05 1muj h SER 90 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1muj h SER 90 Cb 0.00 0.56 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1muj h SER 90 CO 0.00 -0.42 0.00 0.18 -1.14 0.00 0.00 176.83 175.45 1muj n LEU 91 N -4.97 0.00 -0.12 5.07 4.77 -0.09 -2.22 117.00 119.44 1muj n LEU 91 Ca -0.05 0.48 0.01 0.00 -0.03 0.00 0.00 56.01 56.41 1muj n LEU 91 Cb 0.32 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1muj n LEU 91 CO 0.08 -0.40 0.45 -2.11 -1.33 0.00 0.00 177.39 174.08 1muj n ARG 92 N -1.48 1.82 -2.47 3.23 1.85 -0.80 -4.99 116.66 113.83 1muj n ARG 92 Ca 0.01 -1.31 -0.42 0.00 -1.00 0.00 0.00 57.85 55.13 1muj n ARG 92 Cb 0.05 -1.05 -0.03 0.00 -1.05 0.00 0.00 32.46 30.38 1muj n ARG 92 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1muj s ARG 93 N -0.74 4.39 -0.22 2.89 3.52 -0.85 -5.00 118.95 122.94 1muj s ARG 93 Ca 0.04 1.68 -0.04 0.00 -0.13 0.00 0.00 55.73 57.28 1muj s ARG 93 Cb 0.02 -3.50 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1muj s ARG 93 CO 0.03 -0.37 0.09 -0.51 -0.81 0.00 0.00 175.30 173.73 1muj s LEU 94 N 1.84 0.66 -0.23 -0.88 1.43 -1.26 -4.14 118.68 116.11 1muj s LEU 94 Ca 0.56 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1muj s LEU 94 Cb -0.26 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1muj s LEU 94 CO 0.24 -0.37 0.01 -1.61 0.23 0.00 0.00 176.35 174.85 1muj s GLU 95 N 2.05 3.53 -0.11 1.70 0.41 0.70 -4.95 118.70 122.03 1muj s GLU 95 Ca 0.04 -0.55 -0.29 0.00 -0.41 0.00 0.00 54.97 53.76 1muj s GLU 95 Cb -0.16 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1muj s GLU 95 CO -0.18 -0.14 1.45 -0.65 -0.49 0.00 0.00 175.26 175.24 1muj s GLN 96 N 1.41 4.21 0.45 1.61 -0.21 -1.26 -2.42 119.66 123.45 1muj s GLN 96 Ca 0.05 1.92 -0.25 0.00 0.02 0.00 0.00 55.36 57.09 1muj s GLN 96 Cb -0.15 -3.86 -0.09 0.00 1.00 0.00 0.00 33.01 29.91 1muj s GLN 96 CO 0.00 -0.77 1.36 -0.35 -2.12 0.00 0.00 175.29 173.42 1muj n PRO 97 N 6.82 2.08 -3.61 2.91 -0.04 -1.26 -4.69 135.00 137.22 1muj n PRO 97 Ca 0.15 0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 63.98 1muj n PRO 97 Cb 0.44 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 1muj n PRO 97 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1muj s ASN 98 N -0.52 6.62 -0.08 3.54 -0.87 0.13 -4.88 114.94 118.88 1muj s ASN 98 Ca 0.62 0.73 0.01 0.00 -1.57 0.00 0.00 52.86 52.65 1muj s ASN 98 Cb -0.47 -2.19 0.02 0.00 -0.02 0.00 0.00 41.25 38.59 1muj s ASN 98 CO 0.57 0.30 -0.09 -0.69 -2.57 0.00 0.00 177.10 174.62 1muj s VAL 99 N -0.73 1.01 0.01 1.60 1.01 -1.26 -0.65 120.40 121.39 1muj s VAL 99 Ca 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1muj s VAL 99 Cb -0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1muj s VAL 99 CO 0.09 0.34 0.07 0.54 0.00 0.00 0.00 175.10 176.14 1muj s VAL 100 N 1.14 0.08 -0.05 2.92 0.11 -0.80 -4.96 120.40 118.84 1muj s VAL 100 Ca -0.06 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1muj s VAL 100 Cb -0.14 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1muj s VAL 100 CO -0.02 -0.38 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.59 1muj s ILE 101 N -1.24 2.93 -0.07 7.04 1.01 -1.26 -0.32 121.20 129.28 1muj s ILE 101 Ca -0.13 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1muj s ILE 101 Cb -0.08 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1muj s ILE 101 CO 0.00 0.58 0.42 -0.94 0.00 0.00 0.00 174.94 175.01 1muj s SER 102 N -0.61 -0.37 0.77 3.58 1.04 -0.85 -5.00 113.70 112.27 1muj s SER 102 Ca 0.09 0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.88 1muj s SER 102 Cb -0.11 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.62 1muj s SER 102 CO 0.01 -0.38 1.10 -0.22 0.98 0.00 0.00 173.24 174.73 1muj s LEU 103 N -0.78 3.07 0.00 2.42 2.96 -1.26 -1.79 118.68 123.29 1muj s LEU 103 Ca -0.09 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1muj s LEU 103 Cb -0.04 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.13 1muj s LEU 103 CO 0.04 -2.06 0.00 -0.24 -1.32 0.00 0.00 176.35 172.77 1muj n SER 104 N -3.41 1.45 -0.28 3.68 2.88 -0.13 -4.83 113.62 112.97 1muj n SER 104 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1muj n SER 104 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1muj n SER 104 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1muj n HIS 112 N -2.62 0.00 -3.10 0.66 -0.00 -1.26 -3.73 115.22 105.17 1muj n HIS 112 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.53 1muj n HIS 112 Cb 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.41 1muj n HIS 112 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1muj s ASN 113 N -0.28 5.33 -0.02 0.26 -0.87 -1.18 -4.90 114.94 113.28 1muj s ASN 113 Ca 0.00 -0.67 0.06 0.00 -1.57 0.00 0.00 52.86 50.68 1muj s ASN 113 Cb 0.00 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 41.01 1muj s ASN 113 CO 0.00 -1.02 -0.18 -0.89 -2.57 0.00 0.00 177.10 172.45 1muj s THR 114 N -2.51 2.78 -0.19 1.60 2.01 -1.24 -2.58 115.64 115.50 1muj s THR 114 Ca 0.56 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1muj s THR 114 Cb -0.07 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1muj s THR 114 CO 0.35 0.51 0.13 -0.76 -0.69 0.00 0.00 174.62 174.16 1muj s LEU 115 N -0.92 4.20 -0.22 4.42 1.43 0.19 -0.95 118.68 126.83 1muj s LEU 115 Ca 0.12 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1muj s LEU 115 Cb -0.10 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1muj s LEU 115 CO 0.02 0.21 -0.08 -0.69 0.23 0.00 0.00 176.35 176.04 1muj s VAL 116 N 0.17 2.93 -0.38 -1.59 1.01 -0.74 0.57 120.40 122.37 1muj s VAL 116 Ca 0.09 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1muj s VAL 116 Cb -0.11 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1muj s VAL 116 CO -0.01 0.36 0.25 0.00 0.00 0.00 0.00 175.10 175.70 1muj s SER 118 N 1.63 6.56 -0.34 0.00 0.01 0.56 -1.13 113.70 120.99 1muj s SER 118 Ca 0.04 0.39 -0.06 0.00 1.31 0.00 0.00 55.95 57.63 1muj s SER 118 Cb -0.19 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.70 1muj s SER 118 CO 0.09 -0.69 0.11 -0.69 0.41 0.00 0.00 173.24 172.47 1muj s VAL 119 N 3.02 3.77 0.21 3.43 1.01 -0.18 -1.91 120.40 129.76 1muj s VAL 119 Ca 0.31 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1muj s VAL 119 Cb -0.14 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1muj s VAL 119 CO 0.16 -0.20 -0.00 0.42 0.00 0.00 0.00 175.10 175.47 1muj s THR 120 N 1.39 0.93 -1.45 3.92 -4.23 0.18 -0.31 115.64 116.07 1muj s THR 120 Ca -0.01 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 1muj s THR 120 Cb -0.20 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.43 1muj s THR 120 CO 0.03 -0.38 0.76 0.47 -0.54 0.00 0.00 174.62 174.96 1muj n ASP 121 N -0.36 -5.00 -4.83 3.99 8.00 -0.65 0.21 116.55 117.92 1muj n ASP 121 Ca -0.06 -0.52 -0.22 0.00 0.71 0.00 0.00 54.79 54.71 1muj n ASP 121 Cb 0.64 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.66 1muj n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1muj s PHE 122 N -3.16 3.12 -0.27 1.24 -0.71 -1.10 -4.51 117.98 112.58 1muj s PHE 122 Ca 0.49 -0.10 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 1muj s PHE 122 Cb -0.24 -1.41 0.08 0.00 -1.21 0.00 0.00 43.02 40.24 1muj s PHE 122 CO 0.61 0.52 0.77 -0.47 -1.34 0.00 0.00 175.22 175.30 1muj s TYR 123 N -2.10 -0.80 1.16 3.49 6.14 -1.02 -1.09 117.35 123.14 1muj s TYR 123 Ca 0.33 1.83 -0.19 0.00 0.64 0.00 0.00 57.07 59.67 1muj s TYR 123 Cb -0.08 0.37 0.29 0.00 0.42 0.00 0.00 41.96 42.96 1muj s TYR 123 CO 0.25 -0.39 0.95 -0.35 0.64 0.00 0.00 175.55 176.65 1muj n PRO 124 N 3.04 -3.30 -0.02 4.97 -0.04 -1.26 -0.22 135.00 138.17 1muj n PRO 124 Ca -0.15 -1.53 0.01 0.00 -0.04 0.00 0.00 63.50 61.79 1muj n PRO 124 Cb 0.56 -1.53 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 1muj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1muj h ALA 125 N -2.85 1.44 -2.16 0.55 0.00 -1.99 -3.44 119.26 110.81 1muj h ALA 125 Ca -0.37 -0.15 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 1muj h ALA 125 Cb 1.15 -0.17 0.04 0.00 0.00 0.00 0.00 17.79 18.81 1muj h ALA 125 CO 0.24 0.41 0.92 0.36 0.00 0.00 0.00 179.25 181.18 1muj n LYS 126 N -4.33 2.14 -3.49 0.00 -0.00 -1.26 -4.97 118.16 106.26 1muj n LYS 126 Ca 0.02 0.78 -0.12 0.00 -0.00 0.00 0.00 58.31 58.99 1muj n LYS 126 Cb 0.19 -2.58 -0.03 0.00 -0.00 0.00 0.00 35.03 32.61 1muj n LYS 126 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1muj s ILE 127 N 2.27 0.00 -0.11 0.58 2.07 -1.26 -4.61 121.20 120.14 1muj s ILE 127 Ca 0.85 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 60.05 1muj s ILE 127 Cb -0.69 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 40.96 1muj s ILE 127 CO 0.44 0.00 0.19 -0.75 -1.91 0.00 0.00 174.94 172.91 1muj s LYS 128 N -2.59 0.08 -0.06 3.50 2.20 -1.07 -5.04 119.74 116.77 1muj s LYS 128 Ca -0.01 0.56 0.04 0.00 -0.36 0.00 0.00 55.97 56.21 1muj s LYS 128 Cb -0.01 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.95 1muj s LYS 128 CO -0.04 -0.35 -0.18 0.08 -0.36 0.00 0.00 175.35 174.50 1muj s VAL 129 N 2.33 2.74 0.00 4.02 1.01 -1.26 -1.25 120.40 127.99 1muj s VAL 129 Ca 0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1muj s VAL 129 Cb -0.12 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1muj s VAL 129 CO -0.07 0.58 0.08 -0.13 0.00 0.00 0.00 175.10 175.56 1muj s ARG 130 N -0.49 0.38 -0.04 2.72 0.52 0.18 -4.96 118.95 117.26 1muj s ARG 130 Ca 0.06 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.85 1muj s ARG 130 Cb -0.12 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 1muj s ARG 130 CO 0.01 -0.08 0.11 -1.58 0.02 0.00 0.00 175.30 173.78 1muj s TRP 131 N -1.22 3.42 -0.00 -0.53 0.52 -1.26 0.15 118.94 120.02 1muj s TRP 131 Ca -0.13 0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.35 1muj s TRP 131 Cb -0.07 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1muj s TRP 131 CO 0.01 0.61 -0.13 -0.06 0.02 0.00 0.00 176.95 177.40 1muj s PHE 132 N -1.15 1.18 -0.23 -1.98 0.40 0.12 -0.91 117.98 115.41 1muj s PHE 132 Ca 0.21 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1muj s PHE 132 Cb -0.12 -0.75 0.06 0.00 0.51 0.00 0.00 43.02 42.72 1muj s PHE 132 CO 0.11 -0.01 -0.04 0.50 0.70 0.00 0.00 175.22 176.48 1muj s ARG 133 N -0.44 1.48 -1.10 0.44 3.52 0.22 0.63 118.95 123.70 1muj s ARG 133 Ca 0.04 -0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 1muj s ARG 133 Cb -0.05 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.76 1muj s ARG 133 CO -0.00 -0.61 0.94 0.09 -0.81 0.00 0.00 175.30 174.91 1muj n ASN 134 N 4.72 -5.15 0.00 -2.12 5.03 -0.01 -2.03 115.26 115.69 1muj n ASN 134 Ca -0.11 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.66 1muj n ASN 134 Cb 0.44 -5.18 0.00 0.00 -1.02 0.00 0.00 39.78 34.02 1muj n ASN 134 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1muj n GLY 135 N -1.20 0.00 3.54 7.41 0.00 -1.26 -4.92 105.19 108.76 1muj n GLY 135 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1muj n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1muj s GLN 136 N -1.30 3.81 -0.40 1.61 -1.52 -0.86 -5.04 119.66 115.95 1muj s GLN 136 Ca 0.00 -0.42 -0.27 0.00 -1.95 0.00 0.00 55.36 52.71 1muj s GLN 136 Cb 0.00 -3.19 -0.04 0.00 -0.22 0.00 0.00 33.01 29.56 1muj s GLN 136 CO 0.00 0.11 2.06 -2.00 -0.25 0.00 0.00 175.29 175.21 1muj s GLU 137 N 0.79 2.85 0.18 2.91 2.12 -1.26 -0.61 118.70 125.68 1muj s GLU 137 Ca 0.03 1.41 -0.30 0.00 0.36 0.00 0.00 54.97 56.47 1muj s GLU 137 Cb -0.14 -4.37 -0.08 0.00 0.26 0.00 0.00 34.13 29.80 1muj s GLU 137 CO 0.02 -2.44 1.00 -2.00 -0.54 0.00 0.00 175.26 171.30 1muj s GLU 138 N 6.73 4.73 0.00 4.30 2.56 -0.09 -4.93 118.70 132.00 1muj s GLU 138 Ca 0.87 1.55 0.00 0.00 0.00 0.00 0.00 54.97 57.39 1muj s GLU 138 Cb -0.22 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.60 1muj s GLU 138 CO 0.30 0.29 0.00 2.41 -0.56 0.00 0.00 175.26 177.69 1muj n THR 139 N 2.12 0.00 -1.82 -1.70 -1.04 -1.26 -4.37 114.28 106.20 1muj n THR 139 Ca 0.01 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1muj n THR 139 Cb 0.47 -0.54 0.02 0.00 -1.82 0.00 0.00 70.33 68.47 1muj n THR 139 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1muj s VAL 140 N -1.57 4.53 -0.21 12.58 -7.23 -1.26 -3.49 120.40 123.74 1muj s VAL 140 Ca 0.00 0.84 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 1muj s VAL 140 Cb 0.00 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1muj s VAL 140 CO 0.00 -1.05 0.00 0.61 -0.31 0.00 0.00 175.10 174.35 1muj n GLY 141 N -2.49 0.33 3.68 2.32 0.00 -1.26 -4.83 105.19 102.94 1muj n GLY 141 Ca 0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1muj n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1muj s VAL 142 N -1.45 4.18 -0.14 1.61 1.01 -1.23 0.77 120.40 125.15 1muj s VAL 142 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1muj s VAL 142 Cb 0.00 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1muj s VAL 142 CO 0.00 0.41 0.52 -0.94 0.00 0.00 0.00 175.10 175.09 1muj s SER 143 N -1.46 -0.51 0.12 3.32 1.04 -0.33 -5.00 113.70 110.88 1muj s SER 143 Ca 0.19 0.84 0.07 0.00 0.48 0.00 0.00 55.95 57.53 1muj s SER 143 Cb -0.11 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1muj s SER 143 CO 0.09 -0.31 -0.18 -0.55 0.98 0.00 0.00 173.24 173.27 1muj s SER 144 N -0.27 2.33 0.81 7.02 0.15 -1.26 0.06 113.70 122.54 1muj s SER 144 Ca -0.04 -0.74 -0.12 0.00 0.70 0.00 0.00 55.95 55.75 1muj s SER 144 Cb -0.03 -0.12 0.08 0.00 -1.71 0.00 0.00 66.02 64.24 1muj s SER 144 CO 0.03 -0.02 1.14 0.42 1.20 0.00 0.00 173.24 176.01 1muj s THR 145 N -1.56 2.47 1.16 6.45 -4.23 -0.61 -5.02 115.64 114.31 1muj s THR 145 Ca 0.08 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1muj s THR 145 Cb -0.08 -3.07 0.29 0.00 1.34 0.00 0.00 72.50 70.98 1muj s THR 145 CO 0.04 -0.20 1.06 0.00 -0.54 0.00 0.00 174.62 174.99 1muj n GLN 146 N -3.35 -2.91 -2.35 3.99 6.02 -1.26 -4.76 117.38 112.76 1muj n GLN 146 Ca 0.07 -1.70 -0.42 0.00 -0.01 0.00 0.00 57.00 54.95 1muj n GLN 146 Cb 0.59 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1muj n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1muj s LEU 147 N 0.00 4.36 -0.32 1.08 2.96 -1.26 -4.74 118.68 120.75 1muj s LEU 147 Ca 0.68 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 56.56 1muj s LEU 147 Cb -0.06 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1muj s LEU 147 CO 0.52 -0.54 0.18 -0.63 -1.32 0.00 0.00 176.35 174.56 1muj s ILE 148 N 1.30 4.86 -0.36 6.68 1.01 0.19 -4.96 121.20 129.92 1muj s ILE 148 Ca 0.60 -0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.68 1muj s ILE 148 Cb -0.31 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1muj s ILE 148 CO 0.28 0.04 0.81 -0.60 0.00 0.00 0.00 174.94 175.48 1muj s ARG 149 N 1.66 3.79 0.00 2.79 3.52 -1.26 -1.04 118.95 128.40 1muj s ARG 149 Ca 0.05 0.39 0.29 0.00 -0.13 0.00 0.00 55.73 56.33 1muj s ARG 149 Cb -0.17 -3.80 1.27 0.00 -1.56 0.00 0.00 34.95 30.68 1muj s ARG 149 CO 0.08 -0.85 1.94 0.09 -0.81 0.00 0.00 175.30 175.74 1muj n ASN 150 N 6.47 0.00 0.00 -2.12 3.02 -0.66 -4.92 115.26 117.05 1muj n ASN 150 Ca 0.04 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1muj n ASN 150 Cb 0.48 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1muj n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1muj n GLY 151 N 1.42 0.81 0.65 7.41 0.00 -1.26 -4.84 105.19 109.38 1muj n GLY 151 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1muj n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1muj n ASP 152 N -0.01 2.02 -0.80 1.61 5.75 -1.26 -4.93 116.55 118.93 1muj n ASP 152 Ca 0.00 -3.75 -0.07 0.00 -0.01 0.00 0.00 54.79 50.96 1muj n ASP 152 Cb 0.00 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 39.55 1muj n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1muj n TRP 153 N -1.15 -0.32 -3.98 2.11 7.02 -1.26 -5.04 117.44 114.82 1muj n TRP 153 Ca 0.22 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.61 1muj n TRP 153 Cb 0.76 -1.99 -0.10 0.00 -2.42 0.00 0.00 31.31 27.57 1muj n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1muj s THR 154 N -2.35 0.16 0.42 -0.99 -4.23 -1.26 -4.66 115.64 102.72 1muj s THR 154 Ca 0.00 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1muj s THR 154 Cb 0.00 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 1muj s THR 154 CO 0.00 -0.72 0.10 -0.36 -0.54 0.00 0.00 174.62 173.10 1muj s PHE 155 N -2.98 1.83 0.11 3.99 0.40 -0.25 -1.65 117.98 119.42 1muj s PHE 155 Ca -0.02 -1.19 -0.21 0.00 -0.60 0.00 0.00 56.93 54.92 1muj s PHE 155 Cb 0.01 -1.25 0.05 0.00 0.51 0.00 0.00 43.02 42.34 1muj s PHE 155 CO -0.06 -0.17 0.51 1.14 0.70 0.00 0.00 175.22 177.33 1muj s GLN 156 N -3.75 1.13 -0.18 0.44 -2.07 -0.21 -1.64 119.66 113.37 1muj s GLN 156 Ca 0.22 -0.46 -0.17 0.00 -1.82 0.00 0.00 55.36 53.13 1muj s GLN 156 Cb 0.03 0.51 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 1muj s GLN 156 CO 0.13 -0.45 0.49 0.54 -1.32 0.00 0.00 175.29 174.68 1muj s VAL 157 N -3.31 -0.00 -0.16 3.63 0.11 0.58 -0.64 120.40 120.62 1muj s VAL 157 Ca -0.01 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1muj s VAL 157 Cb 0.00 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1muj s VAL 157 CO -0.09 0.00 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.80 1muj s LEU 158 N 0.30 2.64 -0.16 2.54 1.43 -1.26 -1.01 118.68 123.17 1muj s LEU 158 Ca -0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1muj s LEU 158 Cb -0.04 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1muj s LEU 158 CO 0.00 0.09 -0.16 -0.69 0.23 0.00 0.00 176.35 175.82 1muj s VAL 159 N 0.79 2.53 -0.01 -1.59 1.01 -0.29 -1.58 120.40 121.27 1muj s VAL 159 Ca -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1muj s VAL 159 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1muj s VAL 159 CO 0.01 0.52 0.07 -0.04 0.00 0.00 0.00 175.10 175.66 1muj s MET 160 N 0.95 3.05 -0.21 2.72 -1.94 0.11 0.64 119.30 124.61 1muj s MET 160 Ca -0.03 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 1muj s MET 160 Cb -0.15 -2.85 0.05 0.00 2.01 0.00 0.00 34.83 33.89 1muj s MET 160 CO -0.03 0.65 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.37 1muj s LEU 161 N -1.67 2.43 -0.08 -0.03 2.96 0.19 -1.18 118.68 121.31 1muj s LEU 161 Ca 0.22 -0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 52.87 1muj s LEU 161 Cb -0.12 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1muj s LEU 161 CO 0.13 -0.17 0.88 -1.61 -1.32 0.00 0.00 176.35 174.26 1muj s GLU 162 N 1.37 4.43 0.34 1.98 0.41 0.23 -0.64 118.70 126.83 1muj s GLU 162 Ca -0.03 1.17 -0.14 0.00 -0.41 0.00 0.00 54.97 55.57 1muj s GLU 162 Cb -0.17 -3.50 0.03 0.00 -1.78 0.00 0.00 34.13 28.71 1muj s GLU 162 CO -0.08 -0.14 0.67 0.00 -0.49 0.00 0.00 175.26 175.22 1muj s MET 163 N 1.45 1.99 -0.44 1.61 0.23 -1.07 -4.71 119.30 118.36 1muj s MET 163 Ca 0.44 -1.38 0.03 0.00 -1.03 0.00 0.00 55.69 53.75 1muj s MET 163 Cb -0.18 0.57 0.12 0.00 -1.53 0.00 0.00 34.83 33.80 1muj s MET 163 CO 0.19 -0.90 0.19 0.95 -2.03 0.00 0.00 175.02 173.43 1muj s THR 164 N -3.01 2.14 -0.54 3.16 -4.23 -1.26 -3.13 115.64 108.76 1muj s THR 164 Ca 0.18 -2.79 -0.10 0.00 -1.18 0.00 0.00 61.69 57.80 1muj s THR 164 Cb -0.04 -2.52 -0.14 0.00 1.34 0.00 0.00 72.50 71.14 1muj s THR 164 CO 0.12 -0.76 1.65 -2.65 -0.54 0.00 0.00 174.62 172.43 1muj n PRO 165 N 3.60 0.08 -2.81 3.99 -0.02 -1.26 -4.91 135.00 133.67 1muj n PRO 165 Ca 0.05 -0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 60.66 1muj n PRO 165 Cb 0.36 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1muj n PRO 165 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1muj s ARG 166 N 6.62 4.14 -0.49 -0.52 0.52 -1.26 -4.95 118.95 123.01 1muj s ARG 166 Ca 0.57 0.99 -0.46 0.00 -0.52 0.00 0.00 55.73 56.31 1muj s ARG 166 Cb -0.22 -3.67 -0.20 0.00 0.52 0.00 0.00 34.95 31.38 1muj s ARG 166 CO 0.18 -0.63 1.69 0.54 0.02 0.00 0.00 175.30 177.10 1muj n ARG 167 N 6.24 0.06 0.00 3.54 1.74 -1.26 0.19 116.66 127.17 1muj n ARG 167 Ca 0.08 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1muj n ARG 167 Cb 0.47 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1muj n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1muj n GLY 168 N 4.54 1.22 3.62 -0.13 0.00 -1.26 -5.07 105.19 108.11 1muj n GLY 168 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1muj n GLY 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1muj s GLU 169 N -0.12 3.96 -0.28 1.61 1.03 0.13 -4.96 118.70 120.06 1muj s GLU 169 Ca 0.00 0.71 0.01 0.00 0.03 0.00 0.00 54.97 55.73 1muj s GLU 169 Cb 0.00 -3.75 0.06 0.00 -0.80 0.00 0.00 34.13 29.64 1muj s GLU 169 CO 0.00 -0.80 -0.05 0.08 -1.33 0.00 0.00 175.26 173.16 1muj s VAL 170 N 3.26 2.49 -0.21 1.83 1.01 -1.26 -4.26 120.40 123.25 1muj s VAL 170 Ca 0.37 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1muj s VAL 170 Cb -0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1muj s VAL 170 CO 0.15 -0.12 0.05 -0.31 0.00 0.00 0.00 175.10 174.87 1muj s TYR 171 N 1.14 3.13 -0.12 5.22 2.02 -1.11 -0.83 117.35 126.80 1muj s TYR 171 Ca -0.06 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1muj s TYR 171 Cb -0.20 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1muj s TYR 171 CO -0.04 -0.11 -0.18 0.99 -1.57 0.00 0.00 175.55 174.64 1muj s THR 172 N 0.94 1.72 -0.17 -0.71 2.01 0.20 -1.06 115.64 118.57 1muj s THR 172 Ca 0.03 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 1muj s THR 172 Cb -0.14 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1muj s THR 172 CO 0.03 0.48 0.66 0.00 -0.69 0.00 0.00 174.62 175.10 1muj s HIS 174 N 1.68 3.00 -0.18 0.00 5.04 0.40 -1.57 115.29 123.66 1muj s HIS 174 Ca 0.31 -1.40 0.00 0.00 -1.54 0.00 0.00 55.06 52.43 1muj s HIS 174 Cb -0.16 -2.06 0.01 0.00 0.04 0.00 0.00 32.58 30.41 1muj s HIS 174 CO 0.12 -0.69 -0.17 0.08 -2.34 0.00 0.00 174.74 171.74 1muj s VAL 175 N 1.36 2.37 -0.24 0.89 1.01 0.75 0.49 120.40 127.03 1muj s VAL 175 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1muj s VAL 175 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1muj s VAL 175 CO -0.05 0.52 -0.03 -1.61 0.00 0.00 0.00 175.10 173.92 1muj s GLU 176 N 1.26 3.18 -0.00 2.72 2.02 -0.38 -0.24 118.70 127.25 1muj s GLU 176 Ca 0.04 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.26 1muj s GLU 176 Cb -0.14 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1muj s GLU 176 CO -0.09 -0.29 0.01 -1.58 0.02 0.00 0.00 175.26 173.33 1muj s HIS 177 N 1.44 -0.01 0.48 1.61 2.46 -1.26 -2.61 115.29 117.40 1muj s HIS 177 Ca 0.04 0.03 0.33 0.00 0.47 0.00 0.00 55.06 55.93 1muj s HIS 177 Cb -0.15 -0.01 1.45 0.00 -0.13 0.00 0.00 32.58 33.73 1muj s HIS 177 CO -0.03 -0.01 1.70 -1.35 -2.47 0.00 0.00 174.74 172.58 1muj h PRO 178 N 6.23 0.11 0.00 2.88 0.11 -1.94 1.48 132.00 140.86 1muj h PRO 178 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1muj h PRO 178 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1muj h PRO 178 CO 0.50 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 1muj n SER 179 N -4.39 0.00 -4.31 -2.05 3.41 -1.26 -4.56 113.62 100.46 1muj n SER 179 Ca 0.32 0.06 -0.36 0.00 -0.26 0.00 0.00 58.87 58.63 1muj n SER 179 Cb 1.35 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.87 1muj n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1muj s LEU 180 N -2.60 3.53 0.20 1.04 1.43 0.51 -4.77 118.68 118.02 1muj s LEU 180 Ca 0.16 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1muj s LEU 180 Cb 0.12 -1.81 0.14 0.00 0.03 0.00 0.00 46.19 44.67 1muj s LEU 180 CO 0.28 -0.14 1.70 0.50 0.23 0.00 0.00 176.35 178.91 1muj h LYS 181 N 8.16 1.07 -4.49 1.70 3.64 -1.81 -3.42 116.57 121.42 1muj h LYS 181 Ca -0.33 -0.29 -0.56 0.00 -1.27 0.00 0.00 60.65 58.20 1muj h LYS 181 Cb 1.13 -0.13 -0.36 0.00 -0.41 0.00 0.00 32.23 32.47 1muj h LYS 181 CO 0.59 0.99 -0.82 -1.12 -2.27 0.00 0.00 179.45 176.82 1muj s SER 182 N -6.53 2.31 0.13 4.20 0.01 -1.26 -5.11 113.70 107.44 1muj s SER 182 Ca -0.12 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 1muj s SER 182 Cb 0.14 -0.98 -0.17 0.00 0.21 0.00 0.00 66.02 65.23 1muj s SER 182 CO 0.85 -0.05 0.64 -2.65 0.41 0.00 0.00 173.24 172.43 1muj n PRO 183 N 4.59 0.00 -3.30 12.44 -0.02 -1.26 -4.94 135.00 142.52 1muj n PRO 183 Ca -0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.98 1muj n PRO 183 Cb 0.50 -1.07 -0.06 0.00 -0.02 0.00 0.00 33.50 32.86 1muj n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1muj s ILE 184 N -0.64 4.81 -0.02 4.25 1.01 0.66 -4.89 121.20 126.37 1muj s ILE 184 Ca 0.67 0.79 -0.00 0.00 0.00 0.00 0.00 60.65 62.11 1muj s ILE 184 Cb -0.96 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 37.86 1muj s ILE 184 CO 0.52 0.03 0.03 0.42 0.00 0.00 0.00 174.94 175.95 1muj s THR 185 N -1.71 -0.05 -0.05 2.92 -4.23 -1.26 -0.18 115.64 111.07 1muj s THR 185 Ca 0.45 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.20 1muj s THR 185 Cb -0.13 -0.08 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1muj s THR 185 CO 0.20 0.08 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.49 1muj s VAL 186 N 0.97 1.46 0.08 2.29 1.01 -0.61 -4.96 120.40 120.64 1muj s VAL 186 Ca -0.08 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1muj s VAL 186 Cb -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1muj s VAL 186 CO -0.03 0.42 -0.12 -1.61 0.00 0.00 0.00 175.10 173.76 1muj s GLU 187 N 0.20 2.12 -0.03 2.72 2.02 -1.26 -0.53 118.70 123.93 1muj s GLU 187 Ca -0.08 -1.00 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 1muj s GLU 187 Cb -0.13 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 31.85 1muj s GLU 187 CO 0.03 0.52 0.05 -0.46 0.02 0.00 0.00 175.26 175.42 1muj s TRP 188 N -1.13 0.02 0.12 1.61 -0.00 -0.22 -5.00 118.94 114.33 1muj s TRP 188 Ca 0.19 0.20 0.09 0.00 -0.00 0.00 0.00 56.10 56.58 1muj s TRP 188 Cb -0.11 -0.29 -0.04 0.00 -0.00 0.00 0.00 33.47 33.03 1muj s TRP 188 CO 0.11 -0.13 -0.19 -1.12 -0.00 0.00 0.00 176.95 175.62 1muj s SER 189 N 1.40 3.80 0.57 5.86 0.01 -1.26 -2.76 113.70 121.33 1muj s SER 189 Ca -0.05 -0.59 0.32 0.00 1.31 0.00 0.00 55.95 56.95 1muj s SER 189 Cb -0.13 -0.50 1.44 0.00 0.21 0.00 0.00 66.02 67.04 1muj s SER 189 CO -0.03 0.18 1.78 -1.28 0.41 0.00 0.00 173.24 174.29 1muj h SER 190 N 3.76 0.00 0.52 2.44 0.87 -1.95 0.10 113.55 119.29 1muj h SER 190 Ca -0.50 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 1muj h SER 190 Cb 1.17 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1muj h SER 190 CO 0.45 0.00 -0.25 0.00 -0.53 0.00 0.00 176.83 176.50 1muj h ALA 191 N 1.32 -0.99 0.00 6.23 0.00 -1.93 -3.54 119.26 120.34 1muj h ALA 191 Ca 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1muj h ALA 191 Cb 1.92 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1muj h ALA 191 CO -0.00 -0.94 0.00 0.39 0.00 0.00 0.00 179.25 178.69