#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgo s SER 2 N 0.00 6.42 0.17 1.61 0.15 -1.26 -3.66 113.70 117.13 3mgo s SER 2 Ca 0.00 1.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 3mgo s SER 2 Cb 0.00 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3mgo s SER 2 CO 0.00 -0.57 0.15 -1.00 1.20 0.00 0.00 173.24 173.02 3mgo s HIS 3 N -2.66 0.85 0.01 3.44 3.76 -0.17 -4.96 115.29 115.55 3mgo s HIS 3 Ca 0.52 -1.17 -0.26 0.00 -0.15 0.00 0.00 55.06 54.00 3mgo s HIS 3 Cb -0.10 -0.39 0.06 0.00 1.11 0.00 0.00 32.58 33.26 3mgo s HIS 3 CO 0.39 -0.63 0.60 -1.54 -0.85 0.00 0.00 174.74 172.72 3mgo s SER 4 N -3.07 -0.56 0.00 1.40 1.04 -1.26 -0.30 113.70 110.95 3mgo s SER 4 Ca 0.28 0.42 0.08 0.00 0.48 0.00 0.00 55.95 57.20 3mgo s SER 4 Cb 0.06 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 3mgo s SER 4 CO 0.05 -0.69 -0.24 -0.32 0.98 0.00 0.00 173.24 173.02 3mgo s MET 5 N -1.97 1.87 -0.03 4.02 0.00 -0.64 -0.07 119.30 122.49 3mgo s MET 5 Ca -0.08 -0.92 -0.05 0.00 0.00 0.00 0.00 55.69 54.64 3mgo s MET 5 Cb -0.01 -1.87 0.01 0.00 0.00 0.00 0.00 34.83 32.96 3mgo s MET 5 CO 0.03 0.51 0.13 1.03 0.00 0.00 0.00 175.02 176.71 3mgo s ARG 6 N -0.76 0.27 -0.10 4.11 1.81 -0.15 -1.72 118.95 122.42 3mgo s ARG 6 Ca 0.10 -0.05 0.04 0.00 -1.72 0.00 0.00 55.73 54.09 3mgo s ARG 6 Cb -0.09 0.12 -0.00 0.00 -0.45 0.00 0.00 34.95 34.53 3mgo s ARG 6 CO -0.00 -0.05 -0.24 0.71 -0.68 0.00 0.00 175.30 175.04 3mgo s TYR 7 N -0.50 2.53 -0.16 -0.53 2.02 -0.33 0.01 117.35 120.39 3mgo s TYR 7 Ca -0.06 -1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 55.60 3mgo s TYR 7 Cb -0.04 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 3mgo s TYR 7 CO 0.01 -0.41 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.40 3mgo s PHE 8 N 0.33 2.85 -0.13 2.71 0.08 -0.29 -2.61 117.98 120.93 3mgo s PHE 8 Ca -0.18 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.05 3mgo s PHE 8 Cb -0.18 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3mgo s PHE 8 CO 0.09 -0.38 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.55 3mgo s PHE 9 N 0.80 2.65 -0.11 0.36 0.08 0.11 -1.98 117.98 119.89 3mgo s PHE 9 Ca -0.04 -1.19 0.02 0.00 0.12 0.00 0.00 56.93 55.84 3mgo s PHE 9 Cb -0.15 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3mgo s PHE 9 CO 0.01 -0.52 -0.16 0.99 -0.10 0.00 0.00 175.22 175.44 3mgo s THR 10 N 0.63 1.55 -0.16 0.64 2.01 -0.41 -0.58 115.64 119.32 3mgo s THR 10 Ca -0.11 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3mgo s THR 10 Cb -0.16 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 70.96 3mgo s THR 10 CO 0.02 0.45 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.72 3mgo s SER 11 N 1.00 2.86 -0.23 3.53 0.15 0.92 -1.30 113.70 120.63 3mgo s SER 11 Ca -0.06 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.03 3mgo s SER 11 Cb -0.15 -1.20 0.05 0.00 -1.71 0.00 0.00 66.02 63.01 3mgo s SER 11 CO -0.02 -0.08 -0.12 -0.69 1.20 0.00 0.00 173.24 173.53 3mgo s VAL 12 N 1.46 1.96 0.54 4.45 1.01 -0.28 -0.37 120.40 129.18 3mgo s VAL 12 Ca 0.04 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 3mgo s VAL 12 Cb -0.14 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 3mgo s VAL 12 CO -0.10 0.13 1.15 -0.94 0.00 0.00 0.00 175.10 175.34 3mgo s SER 13 N 1.24 5.68 -0.40 3.32 1.04 -0.67 -1.01 113.70 122.90 3mgo s SER 13 Ca -0.04 2.25 0.01 0.00 0.48 0.00 0.00 55.95 58.65 3mgo s SER 13 Cb -0.18 -2.59 0.14 0.00 0.10 0.00 0.00 66.02 63.49 3mgo s SER 13 CO -0.07 -1.25 0.23 -0.13 0.98 0.00 0.00 173.24 173.00 3mgo s ARG 14 N -3.20 0.97 -0.01 4.02 0.52 -1.26 -4.16 118.95 115.83 3mgo s ARG 14 Ca 0.72 -1.73 -0.37 0.00 -0.52 0.00 0.00 55.73 53.84 3mgo s ARG 14 Cb -0.26 -1.87 -0.16 0.00 0.52 0.00 0.00 34.95 33.19 3mgo s ARG 14 CO 0.29 -1.19 1.52 -2.30 0.02 0.00 0.00 175.30 173.65 3mgo n PRO 15 N 3.72 1.40 -1.06 3.54 -0.02 -1.26 -1.23 135.00 140.09 3mgo n PRO 15 Ca 0.11 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 3mgo n PRO 15 Cb 0.36 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3mgo n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgo n GLY 16 N 3.24 0.47 0.72 -1.23 0.00 -1.26 -4.84 105.19 102.28 3mgo n GLY 16 Ca 0.20 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3mgo n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgo n ARG 17 N -1.51 0.92 0.00 1.61 1.74 -0.36 -5.12 116.66 113.94 3mgo n ARG 17 Ca -0.02 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.51 3mgo n ARG 17 Cb 0.25 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3mgo n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgo n GLY 18 N -0.62 -0.48 3.76 -0.13 0.00 -1.25 -4.92 105.19 101.55 3mgo n GLY 18 Ca 0.13 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3mgo n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgo s GLU 19 N 0.00 3.58 0.50 1.61 0.41 -1.26 -4.60 118.70 118.94 3mgo s GLU 19 Ca 0.00 1.90 -0.23 0.00 -0.41 0.00 0.00 54.97 56.24 3mgo s GLU 19 Cb 0.00 -2.36 -0.06 0.00 -1.78 0.00 0.00 34.13 29.93 3mgo s GLU 19 CO 0.00 -0.73 1.30 -1.25 -0.49 0.00 0.00 175.26 174.08 3mgo s PRO 20 N -2.76 3.45 0.26 0.39 0.04 -1.26 -4.73 135.00 130.39 3mgo s PRO 20 Ca 0.66 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 3mgo s PRO 20 Cb -0.32 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.74 3mgo s PRO 20 CO 0.38 -0.90 1.37 0.50 0.04 0.00 0.00 177.00 178.40 3mgo s ARG 21 N -2.74 4.32 -0.08 4.56 6.06 -0.18 -4.83 118.95 126.06 3mgo s ARG 21 Ca 0.67 2.22 0.01 0.00 -2.50 0.00 0.00 55.73 56.13 3mgo s ARG 21 Cb -0.37 -3.12 0.02 0.00 0.06 0.00 0.00 34.95 31.54 3mgo s ARG 21 CO 0.44 -0.32 -0.09 0.12 -2.50 0.00 0.00 175.30 172.96 3mgo s PHE 22 N -0.28 1.34 -0.08 5.12 5.36 -1.26 -1.12 117.98 127.07 3mgo s PHE 22 Ca 0.56 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 3mgo s PHE 22 Cb -0.40 -1.07 0.02 0.00 -0.34 0.00 0.00 43.02 41.24 3mgo s PHE 22 CO 0.45 -0.35 -0.07 0.42 -1.46 0.00 0.00 175.22 174.20 3mgo s ILE 23 N 1.13 0.87 -0.03 3.12 1.01 -0.42 -1.44 121.20 125.44 3mgo s ILE 23 Ca -0.06 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3mgo s ILE 23 Cb -0.14 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 3mgo s ILE 23 CO -0.02 0.32 -0.19 0.00 0.00 0.00 0.00 174.94 175.05 3mgo s ALA 24 N 1.21 1.67 -0.01 9.38 0.00 -0.62 -1.29 121.76 132.11 3mgo s ALA 24 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3mgo s ALA 24 Cb -0.14 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3mgo s ALA 24 CO -0.02 0.35 0.01 0.14 0.00 0.00 0.00 175.76 176.24 3mgo s VAL 25 N -0.20 -0.00 0.00 0.00 -7.23 -0.84 -0.60 120.40 111.53 3mgo s VAL 25 Ca 0.01 0.06 -0.00 0.00 -1.81 0.00 0.00 61.98 60.23 3mgo s VAL 25 Cb -0.10 -0.04 -0.04 0.00 0.56 0.00 0.00 36.38 36.76 3mgo s VAL 25 CO 0.01 0.03 0.10 -0.83 -0.31 0.00 0.00 175.10 174.10 3mgo s GLY 26 N 0.31 2.04 -0.00 2.32 0.00 -0.58 -1.14 107.32 110.27 3mgo s GLY 26 Ca -0.03 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3mgo s GLY 26 CO -0.01 -0.76 -0.07 -0.19 0.00 0.00 0.00 173.10 172.07 3mgo s TYR 27 N -1.24 0.63 -0.27 1.90 1.51 0.10 -1.39 117.35 118.60 3mgo s TYR 27 Ca 0.24 -0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.15 3mgo s TYR 27 Cb -0.12 -0.41 0.03 0.00 -0.11 0.00 0.00 41.96 41.36 3mgo s TYR 27 CO 0.16 -0.01 -0.03 0.08 -1.11 0.00 0.00 175.55 174.64 3mgo s VAL 28 N -0.20 3.00 0.00 0.71 1.01 -0.11 -0.97 120.40 123.83 3mgo s VAL 28 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.85 3mgo s VAL 28 Cb -0.03 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3mgo s VAL 28 CO -0.00 0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.63 3mgo n ASP 29 N 4.66 0.00 -1.82 3.32 8.00 0.90 -1.51 116.55 130.11 3mgo n ASP 29 Ca -0.15 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.20 3mgo n ASP 29 Cb 0.46 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.75 3mgo n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mgo n ASP 30 N 6.93 3.37 -3.92 -2.24 8.00 -1.26 -4.89 116.55 122.54 3mgo n ASP 30 Ca 0.00 -3.64 -0.29 0.00 0.71 0.00 0.00 54.79 51.57 3mgo n ASP 30 Cb 0.00 -0.76 -0.16 0.00 -0.02 0.00 0.00 41.12 40.18 3mgo n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgo s THR 31 N -3.26 1.27 0.28 -3.53 2.01 -0.57 -5.03 115.64 106.82 3mgo s THR 31 Ca 0.52 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 3mgo s THR 31 Cb 0.45 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 3mgo s THR 31 CO 0.07 0.16 1.18 -1.58 -0.69 0.00 0.00 174.62 173.76 3mgo s GLN 32 N 1.56 4.53 0.00 4.92 0.74 -1.26 -0.94 119.66 129.21 3mgo s GLN 32 Ca 0.00 1.95 0.00 0.00 0.05 0.00 0.00 55.36 57.36 3mgo s GLN 32 Cb -0.15 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.80 3mgo s GLN 32 CO -0.08 0.04 0.00 1.97 -0.55 0.00 0.00 175.29 176.67 3mgo n PHE 33 N 1.24 0.00 -4.01 1.67 -1.74 -0.48 -4.05 117.46 110.09 3mgo n PHE 33 Ca -0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 3mgo n PHE 33 Cb 0.44 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.36 3mgo n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3mgo s VAL 34 N -1.44 0.07 0.00 1.97 -7.23 -1.24 -0.11 120.40 112.42 3mgo s VAL 34 Ca 0.00 -1.52 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 3mgo s VAL 34 Cb 0.00 -1.91 0.10 0.00 0.56 0.00 0.00 36.38 35.13 3mgo s VAL 34 CO 0.00 -0.32 0.82 0.00 -0.31 0.00 0.00 175.10 175.29 3mgo s ARG 35 N -3.99 0.91 -0.05 4.82 1.04 -0.80 -1.53 118.95 119.34 3mgo s ARG 35 Ca 0.19 -0.22 -0.02 0.00 -1.04 0.00 0.00 55.73 54.65 3mgo s ARG 35 Cb 0.04 0.42 0.04 0.00 -2.04 0.00 0.00 34.95 33.41 3mgo s ARG 35 CO 0.01 -0.37 0.09 0.12 -0.04 0.00 0.00 175.30 175.11 3mgo s PHE 36 N -2.78 -0.05 -0.25 5.89 5.36 0.23 -0.68 117.98 125.71 3mgo s PHE 36 Ca 0.02 0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.35 3mgo s PHE 36 Cb -0.01 -0.27 0.05 0.00 -0.34 0.00 0.00 43.02 42.46 3mgo s PHE 36 CO -0.06 -0.17 -0.11 0.34 -1.46 0.00 0.00 175.22 173.76 3mgo s ASP 37 N 1.60 4.31 0.57 6.13 -1.08 -1.26 -1.59 116.67 125.35 3mgo s ASP 37 Ca -0.03 -1.26 0.27 0.00 -0.52 0.00 0.00 52.55 51.01 3mgo s ASP 37 Cb -0.12 -1.56 1.52 0.00 -1.46 0.00 0.00 42.92 41.30 3mgo s ASP 37 CO -0.04 -0.17 2.02 0.77 0.52 0.00 0.00 175.17 178.27 3mgo h SER 38 N 7.83 0.00 0.46 -0.34 4.64 -1.65 0.22 113.55 124.71 3mgo h SER 38 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3mgo h SER 38 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mgo h SER 38 CO 0.50 0.00 -0.28 0.47 -0.87 0.00 0.00 176.83 176.64 3mgo n ASP 39 N -3.96 0.57 -4.84 4.97 9.92 -1.26 -4.89 116.55 117.06 3mgo n ASP 39 Ca 0.06 -0.41 -0.32 0.00 -0.53 0.00 0.00 54.79 53.59 3mgo n ASP 39 Cb 0.49 0.05 0.01 0.00 -0.64 0.00 0.00 41.12 41.03 3mgo n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mgo s ALA 40 N -2.74 2.92 0.19 2.24 0.00 0.78 -4.99 121.76 120.16 3mgo s ALA 40 Ca 0.19 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.37 3mgo s ALA 40 Cb 0.19 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 20.22 3mgo s ALA 40 CO 0.58 -0.69 1.44 0.00 0.00 0.00 0.00 175.76 177.08 3mgo h ALA 41 N 0.15 0.65 -0.29 0.00 0.00 -1.90 -3.31 119.26 114.55 3mgo h ALA 41 Ca -0.45 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 53.59 3mgo h ALA 41 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3mgo h ALA 41 CO 0.60 1.00 -0.35 0.66 0.00 0.00 0.00 179.25 181.16 3mgo h SER 42 N 0.01 0.69 -5.86 0.00 4.64 -1.94 -3.47 113.55 107.62 3mgo h SER 42 Ca -0.01 -0.29 -0.39 0.00 -0.47 0.00 0.00 61.79 60.63 3mgo h SER 42 Cb 1.44 -0.19 0.13 0.00 -0.31 0.00 0.00 62.40 63.47 3mgo h SER 42 CO 0.11 0.97 -0.71 0.00 -0.87 0.00 0.00 176.83 176.33 3mgo n GLN 43 N -4.06 -7.33 -4.04 4.77 1.13 -1.25 -5.00 117.38 101.60 3mgo n GLN 43 Ca -0.01 0.80 -0.09 0.00 -1.94 0.00 0.00 57.00 55.76 3mgo n GLN 43 Cb 0.49 -5.82 -0.11 0.00 0.11 0.00 0.00 30.24 24.92 3mgo n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3mgo s ARG 44 N -6.12 0.48 0.09 -1.09 0.52 -1.26 -5.04 118.95 106.53 3mgo s ARG 44 Ca 0.44 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 3mgo s ARG 44 Cb -0.20 0.07 -0.07 0.00 0.52 0.00 0.00 34.95 35.27 3mgo s ARG 44 CO 0.74 -0.06 1.38 1.41 0.02 0.00 0.00 175.30 178.80 3mgo s MET 45 N -2.52 4.32 0.08 3.54 -2.45 -1.26 -4.62 119.30 116.39 3mgo s MET 45 Ca -0.05 2.03 0.07 0.00 -1.25 0.00 0.00 55.69 56.50 3mgo s MET 45 Cb -0.03 -3.33 -0.04 0.00 1.25 0.00 0.00 34.83 32.69 3mgo s MET 45 CO -0.04 -0.46 -0.15 -1.21 1.05 0.00 0.00 175.02 174.21 3mgo s GLU 46 N 1.40 2.01 0.42 4.11 2.02 0.14 -4.91 118.70 123.89 3mgo s GLU 46 Ca 0.64 -1.05 -0.23 0.00 0.02 0.00 0.00 54.97 54.35 3mgo s GLU 46 Cb -0.35 -2.21 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 3mgo s GLU 46 CO 0.29 0.51 1.09 -1.25 0.02 0.00 0.00 175.26 175.93 3mgo s PRO 47 N -1.90 4.00 0.00 0.39 0.04 -1.26 -1.91 135.00 134.37 3mgo s PRO 47 Ca 0.18 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3mgo s PRO 47 Cb -0.11 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3mgo s PRO 47 CO 0.09 -0.30 0.17 0.54 0.04 0.00 0.00 177.00 177.54 3mgo n ARG 48 N -0.25 -0.29 -4.30 4.56 5.12 0.84 -4.88 116.66 117.46 3mgo n ARG 48 Ca 0.06 -0.18 -0.18 0.00 -1.93 0.00 0.00 57.85 55.62 3mgo n ARG 48 Cb 0.49 -0.66 -0.14 0.00 -1.16 0.00 0.00 32.46 30.99 3mgo n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgo s ALA 49 N -0.01 0.73 0.50 7.54 0.00 -1.21 -4.71 121.76 124.60 3mgo s ALA 49 Ca 0.00 -0.46 0.17 0.00 0.00 0.00 0.00 51.96 51.67 3mgo s ALA 49 Cb 0.00 -0.15 1.23 0.00 0.00 0.00 0.00 23.12 24.20 3mgo s ALA 49 CO 0.00 0.15 2.08 -1.00 0.00 0.00 0.00 175.76 177.00 3mgo h PRO 50 N 5.66 0.11 0.00 0.00 0.13 -1.94 -2.65 132.00 133.31 3mgo h PRO 50 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3mgo h PRO 50 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3mgo h PRO 50 CO 0.48 0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.65 3mgo n TRP 51 N -4.48 0.19 0.61 1.56 4.27 -1.26 -2.78 117.44 115.55 3mgo n TRP 51 Ca 0.02 0.06 0.11 0.00 -3.89 0.00 0.00 57.50 53.80 3mgo n TRP 51 Cb 0.25 -0.59 0.01 0.00 -1.36 0.00 0.00 31.31 29.61 3mgo n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3mgo n ILE 52 N -1.66 0.13 0.43 -1.67 0.13 -1.00 -4.15 119.36 111.57 3mgo n ILE 52 Ca 0.07 -0.21 0.08 0.00 -1.10 0.00 0.00 62.75 61.59 3mgo n ILE 52 Cb 0.36 0.30 0.36 0.00 -0.84 0.00 0.00 39.64 39.82 3mgo n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3mgo n GLU 53 N -1.89 0.07 0.15 9.51 1.02 -1.12 -2.07 120.64 126.30 3mgo n GLU 53 Ca 0.02 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.62 3mgo n GLU 53 Cb 0.42 -1.64 0.28 0.00 -0.02 0.00 0.00 31.44 30.49 3mgo n GLU 53 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 3mgo h GLN 54 N 0.00 0.00 -6.89 3.49 3.07 -1.75 -3.45 115.11 109.57 3mgo h GLN 54 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 3mgo h GLN 54 Cb 0.27 0.00 0.09 0.00 0.08 0.00 0.00 27.48 27.92 3mgo h GLN 54 CO 0.00 0.00 0.79 -1.21 0.09 0.00 0.00 178.83 178.50 3mgo s GLU 55 N -3.16 4.15 0.77 0.06 0.41 -0.88 -5.00 118.70 115.05 3mgo s GLU 55 Ca 0.08 2.52 -0.13 0.00 -0.41 0.00 0.00 54.97 57.03 3mgo s GLU 55 Cb 0.09 -3.00 0.18 0.00 -1.78 0.00 0.00 34.13 29.63 3mgo s GLU 55 CO 0.64 -0.51 0.90 0.41 -0.49 0.00 0.00 175.26 176.21 3mgo n GLY 56 N 0.99 -1.86 0.24 -1.39 0.00 -1.26 -4.86 105.19 97.04 3mgo n GLY 56 Ca 0.03 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.49 3mgo n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mgo h PRO 57 N 0.00 0.00 -0.75 1.61 0.11 -1.99 -2.51 132.00 128.47 3mgo h PRO 57 Ca -0.30 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3mgo h PRO 57 Cb 0.87 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 3mgo h PRO 57 CO 0.21 0.11 0.24 1.49 -0.21 0.00 0.00 178.00 179.84 3mgo h GLU 58 N 0.00 1.17 -0.19 1.05 4.22 -1.98 0.28 114.58 119.12 3mgo h GLU 58 Ca -0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 59.36 59.17 3mgo h GLU 58 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3mgo h GLU 58 CO 0.01 0.99 0.04 -0.92 -2.18 0.00 0.00 179.01 176.96 3mgo h TYR 59 N 1.12 0.32 -0.28 0.92 3.20 -1.80 -1.70 116.97 118.74 3mgo h TYR 59 Ca 0.24 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.90 3mgo h TYR 59 Cb 0.31 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3mgo h TYR 59 CO 0.03 0.43 -0.54 -1.49 -1.64 0.00 0.00 178.16 174.95 3mgo h TRP 60 N 0.12 1.03 -0.14 -3.82 4.06 -1.31 0.15 115.95 116.04 3mgo h TRP 60 Ca 0.06 -0.36 -0.00 0.00 2.06 0.00 0.00 58.89 60.65 3mgo h TRP 60 Cb 0.27 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3mgo h TRP 60 CO 0.01 1.17 0.08 -0.44 -3.56 0.00 0.00 178.44 175.70 3mgo h ASP 61 N 0.63 0.17 0.40 -3.49 5.19 -0.49 -0.47 116.42 118.36 3mgo h ASP 61 Ca 0.02 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 3mgo h ASP 61 Cb 1.13 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.60 3mgo h ASP 61 CO 0.12 0.19 -0.19 1.23 -3.12 0.00 0.00 179.24 177.47 3mgo h GLY 62 N 0.13 -0.57 1.74 2.75 0.00 -1.18 -1.16 103.07 104.78 3mgo h GLY 62 Ca 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3mgo h GLY 62 CO -0.01 -0.21 0.10 0.83 0.00 0.00 0.00 176.54 177.26 3mgo h GLU 63 N -0.59 0.34 -0.51 4.80 4.39 -0.98 -1.19 114.58 120.83 3mgo h GLU 63 Ca -0.06 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3mgo h GLU 63 Cb 0.44 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3mgo h GLU 63 CO 0.09 0.28 0.04 1.15 -1.16 0.00 0.00 179.01 179.42 3mgo h THR 64 N 0.34 1.26 -0.14 1.13 2.02 -0.81 -1.66 112.91 115.06 3mgo h THR 64 Ca 0.09 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 3mgo h THR 64 Cb 0.07 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3mgo h THR 64 CO -0.01 0.36 0.02 0.03 0.37 0.00 0.00 175.52 176.29 3mgo h ARG 65 N 0.75 0.24 -0.06 6.66 3.08 -0.33 -2.48 114.38 122.23 3mgo h ARG 65 Ca 0.15 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3mgo h ARG 65 Cb 0.46 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3mgo h ARG 65 CO 0.02 0.42 -0.36 0.87 -1.07 0.00 0.00 179.97 179.85 3mgo h LYS 66 N 0.01 0.12 0.00 0.04 1.57 -1.23 -1.74 116.57 115.35 3mgo h LYS 66 Ca 0.04 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3mgo h LYS 66 Cb 0.30 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3mgo h LYS 66 CO 0.00 0.48 -0.73 -0.24 -0.57 0.00 0.00 179.45 178.39 3mgo h VAL 67 N 0.11 1.50 -0.32 0.50 3.04 -1.28 -0.90 116.25 118.89 3mgo h VAL 67 Ca 0.01 -2.53 -0.14 0.00 -1.01 0.00 0.00 66.70 63.03 3mgo h VAL 67 Cb 0.70 2.38 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 3mgo h VAL 67 CO 0.05 0.72 -0.37 0.11 -1.01 0.00 0.00 177.57 177.07 3mgo h LYS 68 N 0.00 0.74 -0.49 4.17 1.57 -1.01 -0.56 116.57 120.99 3mgo h LYS 68 Ca -0.01 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3mgo h LYS 68 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 3mgo h LYS 68 CO 0.10 0.99 0.10 0.00 -0.57 0.00 0.00 179.45 180.07 3mgo h ALA 69 N 0.97 0.65 -0.47 3.86 0.00 -1.13 -0.71 119.26 122.43 3mgo h ALA 69 Ca 0.06 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3mgo h ALA 69 Cb 0.91 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3mgo h ALA 69 CO 0.08 0.36 0.13 0.45 0.00 0.00 0.00 179.25 180.28 3mgo h HIS 70 N 0.68 0.23 -0.19 0.00 3.86 -1.02 -1.80 115.15 116.91 3mgo h HIS 70 Ca 0.15 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3mgo h HIS 70 Cb 0.36 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3mgo h HIS 70 CO 0.02 0.05 0.06 1.03 0.86 0.00 0.00 177.93 179.95 3mgo h SER 71 N 0.29 0.06 -0.40 2.45 0.87 -0.58 -2.18 113.55 114.05 3mgo h SER 71 Ca 0.23 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 3mgo h SER 71 Cb 0.27 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3mgo h SER 71 CO -0.27 0.06 0.07 1.56 -0.53 0.00 0.00 176.83 177.72 3mgo h GLN 72 N 0.14 0.74 -0.46 2.24 1.08 -0.90 -1.85 115.11 116.10 3mgo h GLN 72 Ca 0.08 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3mgo h GLN 72 Cb 0.06 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 3mgo h GLN 72 CO -0.09 0.71 0.20 1.15 -0.95 0.00 0.00 178.83 179.84 3mgo h THR 73 N 0.71 1.20 -0.46 -0.54 2.02 -1.00 -2.72 112.91 112.11 3mgo h THR 73 Ca 0.15 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 3mgo h THR 73 Cb 0.34 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3mgo h THR 73 CO 0.01 0.23 -0.12 0.45 0.37 0.00 0.00 175.52 176.45 3mgo h HIS 74 N 0.60 0.95 -0.87 3.16 3.86 -1.07 -0.58 115.15 121.20 3mgo h HIS 74 Ca 0.16 -0.18 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3mgo h HIS 74 Cb 0.17 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.34 3mgo h HIS 74 CO -0.00 0.92 0.55 -0.09 0.86 0.00 0.00 177.93 180.17 3mgo h ARG 75 N 0.77 1.01 -0.23 2.45 2.43 -1.20 -1.25 114.38 118.35 3mgo h ARG 75 Ca 0.12 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3mgo h ARG 75 Cb 0.63 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3mgo h ARG 75 CO 0.04 0.67 -0.13 0.28 -1.51 0.00 0.00 179.97 179.32 3mgo h VAL 76 N 1.04 1.31 -0.99 0.20 2.07 -1.19 -3.16 116.25 115.52 3mgo h VAL 76 Ca 0.36 -1.22 0.20 0.00 0.82 0.00 0.00 66.70 66.87 3mgo h VAL 76 Cb 0.09 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 3mgo h VAL 76 CO -0.15 0.37 0.62 0.44 0.02 0.00 0.00 177.57 178.87 3mgo h ASP 77 N 0.20 0.69 -0.99 0.57 3.32 -0.38 -0.74 116.42 119.10 3mgo h ASP 77 Ca 0.05 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3mgo h ASP 77 Cb 0.63 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 3mgo h ASP 77 CO 0.04 0.24 0.65 -0.07 -1.72 0.00 0.00 179.24 178.38 3mgo h LEU 78 N 0.67 1.11 -0.15 1.55 3.38 -1.22 -0.37 115.31 120.29 3mgo h LEU 78 Ca 0.56 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.46 3mgo h LEU 78 Cb 0.99 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3mgo h LEU 78 CO -0.33 0.79 -0.10 1.23 0.09 0.00 0.00 178.44 180.11 3mgo h GLY 79 N 1.31 0.37 0.80 0.83 0.00 -1.24 -2.15 103.07 103.00 3mgo h GLY 79 Ca 0.37 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.39 3mgo h GLY 79 CO -0.09 0.32 0.56 -0.84 0.00 0.00 0.00 176.54 176.48 3mgo h THR 80 N -0.00 1.10 -0.16 4.70 2.02 -1.06 -1.89 112.91 117.62 3mgo h THR 80 Ca 0.03 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.70 3mgo h THR 80 Cb 0.60 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3mgo h THR 80 CO 0.03 0.19 -0.53 -0.07 0.37 0.00 0.00 175.52 175.51 3mgo h LEU 81 N 1.05 0.50 -1.49 2.58 3.38 -1.08 -0.43 115.31 119.82 3mgo h LEU 81 Ca 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3mgo h LEU 81 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mgo h LEU 81 CO -0.14 0.93 0.09 -0.09 0.09 0.00 0.00 178.44 179.32 3mgo h ARG 82 N 0.35 0.42 -0.00 1.13 2.43 -0.78 -2.32 114.38 115.61 3mgo h ARG 82 Ca 0.01 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3mgo h ARG 82 Cb 1.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3mgo h ARG 82 CO 0.09 0.38 -0.08 0.78 -1.51 0.00 0.00 179.97 179.64 3mgo h GLY 83 N 0.62 0.06 -0.08 2.80 0.00 -0.99 -0.47 103.07 105.02 3mgo h GLY 83 Ca 0.10 -0.11 0.25 0.00 0.00 0.00 0.00 47.33 47.58 3mgo h GLY 83 CO -0.01 0.09 0.64 -0.97 0.00 0.00 0.00 176.54 176.30 3mgo h TYR 84 N -0.68 0.78 -0.49 5.60 0.05 -0.86 -1.36 116.97 120.01 3mgo h TYR 84 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3mgo h TYR 84 Cb 0.84 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.35 3mgo h TYR 84 CO 0.19 0.09 0.00 0.66 -1.05 0.00 0.00 178.16 178.05 3mgo n TYR 85 N -4.69 0.65 -3.78 4.88 4.01 -0.89 -4.87 117.16 112.48 3mgo n TYR 85 Ca 0.25 -0.50 -0.23 0.00 -0.16 0.00 0.00 57.90 57.26 3mgo n TYR 85 Cb 0.80 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.83 3mgo n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mgo n ASN 86 N 0.92 -0.91 -4.91 7.72 5.15 -0.51 -4.97 115.26 117.74 3mgo n ASN 86 Ca 0.16 -0.88 -0.27 0.00 -0.60 0.00 0.00 54.58 53.00 3mgo n ASN 86 Cb 0.50 -3.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.96 3mgo n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3mgo s GLN 87 N -6.15 3.31 1.21 1.20 -0.21 -0.23 -5.05 119.66 113.75 3mgo s GLN 87 Ca 0.00 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.55 3mgo s GLN 87 Cb -0.00 -2.90 0.29 0.00 1.00 0.00 0.00 33.01 31.40 3mgo s GLN 87 CO 0.84 0.52 1.08 -1.54 -2.12 0.00 0.00 175.29 174.06 3mgo s SER 88 N -3.13 0.80 0.00 5.90 1.04 -1.26 -4.80 113.70 112.25 3mgo s SER 88 Ca 0.34 0.77 0.22 0.00 0.48 0.00 0.00 55.95 57.76 3mgo s SER 88 Cb -0.11 -1.11 0.22 0.00 0.10 0.00 0.00 66.02 65.12 3mgo s SER 88 CO 0.27 -4.21 1.24 -0.62 0.98 0.00 0.00 173.24 170.90 3mgo n GLU 89 N -4.84 2.18 0.00 4.02 1.02 -1.26 -4.26 120.64 117.50 3mgo n GLU 89 Ca 0.12 -1.91 0.11 0.00 -0.02 0.00 0.00 57.16 55.46 3mgo n GLU 89 Cb 0.59 -1.44 0.06 0.00 -0.02 0.00 0.00 31.44 30.63 3mgo n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mgo n ALA 90 N 1.29 3.77 -2.55 0.62 0.00 -1.26 -4.66 120.51 117.72 3mgo n ALA 90 Ca 0.14 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 3mgo n ALA 90 Cb 0.57 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 3mgo n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mgo s GLY 91 N -2.65 2.36 -0.08 0.00 0.00 -1.26 -4.74 107.32 100.95 3mgo s GLY 91 Ca 0.16 -0.34 -0.20 0.00 0.00 0.00 0.00 44.72 44.35 3mgo s GLY 91 CO 0.64 -0.10 0.54 -0.45 0.00 0.00 0.00 173.10 173.74 3mgo s SER 92 N -1.69 6.81 0.17 1.64 0.15 -1.26 -4.63 113.70 114.88 3mgo s SER 92 Ca 0.33 0.96 0.06 0.00 0.70 0.00 0.00 55.95 57.99 3mgo s SER 92 Cb -0.14 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 3mgo s SER 92 CO 0.18 0.00 -0.11 -1.00 1.20 0.00 0.00 173.24 173.51 3mgo s HIS 93 N 0.46 1.44 -0.09 3.44 3.76 -1.26 -4.97 115.29 118.08 3mgo s HIS 93 Ca 0.29 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.54 3mgo s HIS 93 Cb -0.16 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.82 3mgo s HIS 93 CO 0.13 0.18 -0.20 0.99 -0.85 0.00 0.00 174.74 174.99 3mgo s THR 94 N -3.20 1.75 -0.12 1.30 2.01 -1.26 -1.67 115.64 114.45 3mgo s THR 94 Ca 0.19 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.36 3mgo s THR 94 Cb 0.02 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3mgo s THR 94 CO 0.03 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 3mgo s VAL 95 N 0.41 3.04 -0.03 3.82 1.01 0.50 -0.27 120.40 128.88 3mgo s VAL 95 Ca -0.16 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3mgo s VAL 95 Cb -0.17 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3mgo s VAL 95 CO 0.07 0.54 -0.18 -1.10 0.00 0.00 0.00 175.10 174.42 3mgo s GLN 96 N 0.18 1.63 0.02 2.72 -0.21 -0.57 -0.05 119.66 123.38 3mgo s GLN 96 Ca -0.08 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.70 3mgo s GLN 96 Cb -0.15 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.34 3mgo s GLN 96 CO 0.05 0.34 -0.14 0.50 -2.12 0.00 0.00 175.29 173.92 3mgo s ARG 97 N -0.24 0.96 -0.03 2.91 3.52 0.26 -0.85 118.95 125.49 3mgo s ARG 97 Ca 0.03 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 54.97 3mgo s ARG 97 Cb -0.09 -0.95 0.02 0.00 -1.56 0.00 0.00 34.95 32.37 3mgo s ARG 97 CO 0.00 0.24 0.05 1.41 -0.81 0.00 0.00 175.30 176.20 3mgo s MET 98 N -0.85 0.01 0.10 5.12 -2.45 -0.58 0.09 119.30 120.74 3mgo s MET 98 Ca 0.03 0.18 -0.06 0.00 -1.25 0.00 0.00 55.69 54.59 3mgo s MET 98 Cb -0.07 -0.16 -0.01 0.00 1.25 0.00 0.00 34.83 35.84 3mgo s MET 98 CO 0.01 -0.12 0.15 1.52 1.05 0.00 0.00 175.02 177.63 3mgo s TYR 99 N 0.79 0.34 -4.33 4.11 -0.85 -1.07 -0.70 117.35 115.64 3mgo s TYR 99 Ca -0.06 -0.78 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 3mgo s TYR 99 Cb -0.09 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.08 3mgo s TYR 99 CO -0.03 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 3mgo n GLY 100 N -0.06 -2.01 3.02 5.49 0.00 -1.12 -1.19 105.19 109.32 3mgo n GLY 100 Ca -0.12 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 3mgo n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgo s ASP 102 N -1.49 4.59 0.09 0.00 1.01 0.12 -1.62 116.67 119.37 3mgo s ASP 102 Ca -0.13 -0.07 0.07 0.00 0.71 0.00 0.00 52.55 53.13 3mgo s ASP 102 Cb -0.10 -1.29 -0.03 0.00 1.01 0.00 0.00 42.92 42.51 3mgo s ASP 102 CO -0.00 0.31 -0.19 0.68 0.21 0.00 0.00 175.17 176.19 3mgo s VAL 103 N -0.52 1.50 0.00 -1.27 -7.23 0.59 -0.32 120.40 113.15 3mgo s VAL 103 Ca 0.08 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3mgo s VAL 103 Cb -0.12 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3mgo s VAL 103 CO 0.02 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 3mgo n GLY 104 N 1.17 -1.14 0.27 2.32 0.00 -0.80 -1.00 105.19 106.01 3mgo n GLY 104 Ca -0.20 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.27 3mgo n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgo h SER 105 N -0.01 0.00 -0.32 1.61 0.02 -1.91 -0.04 113.55 112.89 3mgo h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mgo h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3mgo h SER 105 CO 0.00 0.08 0.00 -0.90 -1.14 0.00 0.00 176.83 174.87 3mgo n ASP 106 N -3.90 1.97 -1.34 3.07 5.68 -1.26 -4.87 116.55 115.90 3mgo n ASP 106 Ca -0.02 -2.06 -0.17 0.00 -0.50 0.00 0.00 54.79 52.03 3mgo n ASP 106 Cb 0.17 -0.27 -0.07 0.00 -1.14 0.00 0.00 41.12 39.80 3mgo n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mgo n TRP 107 N 0.44 0.00 -3.51 2.11 7.02 -0.03 -4.96 117.44 118.51 3mgo n TRP 107 Ca 0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.24 3mgo n TRP 107 Cb 0.34 -3.13 -0.06 0.00 -2.42 0.00 0.00 31.31 26.04 3mgo n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3mgo s ARG 108 N -3.46 3.85 0.38 -0.99 0.52 -1.26 -4.79 118.95 113.19 3mgo s ARG 108 Ca 0.00 0.30 -0.25 0.00 -0.52 0.00 0.00 55.73 55.26 3mgo s ARG 108 Cb 0.00 -3.04 -0.12 0.00 0.52 0.00 0.00 34.95 32.31 3mgo s ARG 108 CO 0.00 0.57 0.86 0.34 0.02 0.00 0.00 175.30 177.09 3mgo n PHE 109 N 1.10 0.66 0.00 -0.53 -0.00 -1.26 -1.90 117.46 115.53 3mgo n PHE 109 Ca -0.09 0.62 0.00 0.00 -0.00 0.00 0.00 57.45 57.99 3mgo n PHE 109 Cb 0.52 -2.15 0.00 0.00 -0.00 0.00 0.00 39.48 37.85 3mgo n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3mgo n LEU 110 N 0.95 0.02 -3.64 -2.13 0.00 0.56 -4.78 117.00 107.98 3mgo n LEU 110 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.07 3mgo n LEU 110 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.72 3mgo n LEU 110 CO 0.57 0.00 1.04 -0.60 0.00 0.00 0.00 177.39 178.41 3mgo s ARG 111 N -1.21 0.19 0.11 1.96 3.52 -1.09 -4.97 118.95 117.46 3mgo s ARG 111 Ca 0.00 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 3mgo s ARG 111 Cb 0.00 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 3mgo s ARG 111 CO 0.00 -0.03 -0.16 0.20 -0.81 0.00 0.00 175.30 174.50 3mgo s GLY 112 N -0.10 1.09 0.11 8.12 0.00 -1.26 0.16 107.32 115.44 3mgo s GLY 112 Ca 0.06 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.60 3mgo s GLY 112 CO -0.12 -1.25 -0.11 -0.19 0.00 0.00 0.00 173.10 171.43 3mgo s TYR 113 N -1.64 1.16 -0.30 1.90 1.51 -0.08 -4.83 117.35 115.07 3mgo s TYR 113 Ca 0.06 -0.67 -0.10 0.00 -1.01 0.00 0.00 57.07 55.35 3mgo s TYR 113 Cb -0.08 -0.62 0.18 0.00 -0.11 0.00 0.00 41.96 41.33 3mgo s TYR 113 CO 0.03 0.04 0.90 -1.58 -1.11 0.00 0.00 175.55 173.84 3mgo s HIS 114 N -2.65 -0.88 -0.01 2.71 2.46 -1.25 -2.79 115.29 112.89 3mgo s HIS 114 Ca 0.09 1.07 -0.04 0.00 0.47 0.00 0.00 55.06 56.64 3mgo s HIS 114 Cb -0.02 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.79 3mgo s HIS 114 CO 0.00 -0.47 0.09 -0.65 -2.47 0.00 0.00 174.74 171.24 3mgo s GLN 115 N 2.82 0.29 0.02 2.88 -0.21 0.12 -1.02 119.66 124.56 3mgo s GLN 115 Ca 0.04 -0.20 0.08 0.00 0.02 0.00 0.00 55.36 55.30 3mgo s GLN 115 Cb -0.11 0.12 -0.02 0.00 1.00 0.00 0.00 33.01 34.00 3mgo s GLN 115 CO -0.15 -0.06 -0.23 0.71 -2.12 0.00 0.00 175.29 173.44 3mgo s TYR 116 N -0.77 2.05 0.01 0.91 1.51 0.77 -1.53 117.35 120.31 3mgo s TYR 116 Ca -0.09 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 3mgo s TYR 116 Cb -0.05 -1.26 -0.02 0.00 -0.11 0.00 0.00 41.96 40.52 3mgo s TYR 116 CO 0.00 0.05 -0.14 0.00 -1.11 0.00 0.00 175.55 174.35 3mgo s ALA 117 N -0.70 1.18 -0.19 3.71 0.00 -0.03 -0.81 121.76 124.93 3mgo s ALA 117 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3mgo s ALA 117 Cb -0.09 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.80 3mgo s ALA 117 CO 0.01 0.26 -0.17 -0.47 0.00 0.00 0.00 175.76 175.38 3mgo s TYR 118 N -0.56 2.84 -1.42 0.00 5.04 0.16 -1.51 117.35 121.91 3mgo s TYR 118 Ca 0.04 -1.64 -0.08 0.00 -2.44 0.00 0.00 57.07 52.96 3mgo s TYR 118 Cb -0.06 -1.94 0.04 0.00 0.35 0.00 0.00 41.96 40.35 3mgo s TYR 118 CO 0.00 -0.79 0.90 -0.25 -1.34 0.00 0.00 175.55 174.07 3mgo n ASP 119 N 4.62 -3.46 0.00 4.32 8.00 0.63 -2.46 116.55 128.21 3mgo n ASP 119 Ca -0.20 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3mgo n ASP 119 Cb 0.49 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 3mgo n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgo n GLY 120 N -1.66 0.90 3.35 0.44 0.00 -1.26 -5.01 105.19 101.95 3mgo n GLY 120 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3mgo n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgo s LYS 121 N -0.15 2.03 0.02 1.61 1.02 -1.03 -5.08 119.74 118.17 3mgo s LYS 121 Ca 0.00 -0.98 -0.38 0.00 0.02 0.00 0.00 55.97 54.63 3mgo s LYS 121 Cb 0.00 -2.07 -0.18 0.00 -0.52 0.00 0.00 37.83 35.07 3mgo s LYS 121 CO 0.00 0.55 1.31 -0.25 -0.92 0.00 0.00 175.35 176.04 3mgo n ASP 122 N 2.09 1.26 -0.02 2.83 8.00 -1.26 -0.66 116.55 128.79 3mgo n ASP 122 Ca -0.16 1.13 -0.06 0.00 0.71 0.00 0.00 54.79 56.41 3mgo n ASP 122 Cb 0.52 -1.11 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 3mgo n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mgo n TYR 123 N 2.52 0.00 -3.77 1.24 9.36 0.01 -4.74 117.16 121.78 3mgo n TYR 123 Ca 0.20 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 3mgo n TYR 123 Cb 0.15 -0.23 -0.10 0.00 -0.63 0.00 0.00 39.34 38.53 3mgo n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3mgo s ILE 124 N -2.26 0.03 -0.13 2.97 2.07 -1.11 -4.27 121.20 118.50 3mgo s ILE 124 Ca -0.11 -0.23 -0.06 0.00 -1.41 0.00 0.00 60.65 58.84 3mgo s ILE 124 Cb 0.03 -0.52 0.05 0.00 0.13 0.00 0.00 42.46 42.15 3mgo s ILE 124 CO 0.16 -0.13 0.29 0.00 -1.91 0.00 0.00 174.94 173.35 3mgo s ALA 125 N -0.52 -0.68 0.17 1.50 0.00 -1.06 -0.16 121.76 121.01 3mgo s ALA 125 Ca -0.06 1.11 -0.32 0.00 0.00 0.00 0.00 51.96 52.70 3mgo s ALA 125 Cb -0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 23.12 22.20 3mgo s ALA 125 CO 0.02 -0.30 1.57 -1.17 0.00 0.00 0.00 175.76 175.87 3mgo s LEU 126 N 1.53 4.37 0.96 0.00 2.96 -0.19 -0.73 118.68 127.58 3mgo s LEU 126 Ca -0.07 2.62 -0.13 0.00 -0.22 0.00 0.00 54.13 56.33 3mgo s LEU 126 Cb -0.10 -3.59 0.17 0.00 0.50 0.00 0.00 46.19 43.16 3mgo s LEU 126 CO -0.10 -0.82 1.14 -0.54 -1.32 0.00 0.00 176.35 174.71 3mgo s LYS 127 N 1.08 0.72 0.46 1.98 1.02 0.67 -4.62 119.74 121.05 3mgo s LYS 127 Ca 0.70 0.24 0.19 0.00 0.02 0.00 0.00 55.97 57.12 3mgo s LYS 127 Cb -0.44 -1.80 1.13 0.00 -0.52 0.00 0.00 37.83 36.20 3mgo s LYS 127 CO 0.32 -2.47 2.00 1.49 -0.92 0.00 0.00 175.35 175.77 3mgo h GLU 128 N -1.70 0.00 0.00 1.68 4.81 -1.88 -0.12 114.58 117.37 3mgo h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3mgo h GLU 128 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3mgo h GLU 128 CO 0.57 0.18 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 3mgo n ASP 129 N -4.06 0.00 -1.84 1.04 5.75 -1.26 -4.80 116.55 111.38 3mgo n ASP 129 Ca -0.02 0.25 -0.20 0.00 -0.01 0.00 0.00 54.79 54.81 3mgo n ASP 129 Cb 0.26 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 3mgo n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3mgo n LEU 130 N -1.39 -1.55 0.00 -2.12 4.77 -0.06 -4.77 117.00 111.89 3mgo n LEU 130 Ca 0.06 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3mgo n LEU 130 Cb 0.17 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 3mgo n LEU 130 CO 0.15 -0.76 -0.40 0.54 -1.33 0.00 0.00 177.39 175.60 3mgo n ARG 131 N -2.52 2.15 -4.48 3.23 1.74 -1.26 -4.63 116.66 110.88 3mgo n ARG 131 Ca -0.21 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.63 3mgo n ARG 131 Cb 0.65 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 31.09 3mgo n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mgo s SER 132 N -2.05 3.43 0.18 0.55 1.04 -1.26 -4.95 113.70 110.64 3mgo s SER 132 Ca 0.00 -1.12 0.10 0.00 0.48 0.00 0.00 55.95 55.41 3mgo s SER 132 Cb 0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3mgo s SER 132 CO 0.00 -0.13 -0.18 0.26 0.98 0.00 0.00 173.24 174.17 3mgo s TRP 133 N -2.66 2.45 -0.26 5.02 0.52 -1.26 -0.24 118.94 122.50 3mgo s TRP 133 Ca 0.30 -0.30 -0.04 0.00 0.02 0.00 0.00 56.10 56.09 3mgo s TRP 133 Cb -0.00 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 31.11 3mgo s TRP 133 CO 0.14 0.49 -0.01 0.99 0.02 0.00 0.00 176.95 178.58 3mgo s THR 134 N -1.62 3.29 -0.12 2.01 2.01 0.09 -4.88 115.64 116.42 3mgo s THR 134 Ca 0.22 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3mgo s THR 134 Cb -0.09 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.77 3mgo s THR 134 CO 0.12 0.16 -0.12 0.00 -0.69 0.00 0.00 174.62 174.09 3mgo s ALA 135 N 1.39 1.60 -0.02 7.40 0.00 -1.26 -2.56 121.76 128.31 3mgo s ALA 135 Ca 0.01 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3mgo s ALA 135 Cb -0.17 -0.89 -0.25 0.00 0.00 0.00 0.00 23.12 21.81 3mgo s ALA 135 CO -0.02 -0.24 0.75 0.00 0.00 0.00 0.00 175.76 176.24 3mgo h ALA 136 N 7.78 0.50 -4.54 0.00 0.00 -1.91 -3.46 119.26 117.63 3mgo h ALA 136 Ca -0.33 -1.27 -0.40 0.00 0.00 0.00 0.00 54.91 52.91 3mgo h ALA 136 Cb 1.15 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 3mgo h ALA 136 CO 0.48 1.36 -0.32 -0.40 0.00 0.00 0.00 179.25 180.36 3mgo n ASP 137 N -3.29 1.62 0.15 0.00 5.68 -1.26 -5.04 116.55 114.41 3mgo n ASP 137 Ca -0.17 -2.50 -0.14 0.00 -0.50 0.00 0.00 54.79 51.48 3mgo n ASP 137 Cb 1.04 0.59 -0.07 0.00 -1.14 0.00 0.00 41.12 41.53 3mgo n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3mgo h MET 138 N 0.00 -0.33 -0.47 0.11 2.86 -1.99 -0.77 114.93 114.34 3mgo h MET 138 Ca -0.24 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3mgo h MET 138 Cb 0.84 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.48 3mgo h MET 138 CO 0.38 -0.22 -0.22 0.00 1.06 0.00 0.00 176.91 177.91 3mgo h ALA 139 N 0.43 0.11 -0.69 6.32 0.00 -1.97 0.72 119.26 124.18 3mgo h ALA 139 Ca -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3mgo h ALA 139 Cb 0.29 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3mgo h ALA 139 CO 0.02 -0.57 0.34 0.00 0.00 0.00 0.00 179.25 179.04 3mgo h ALA 140 N 1.18 1.30 -0.26 0.00 0.00 -1.80 -2.41 119.26 117.26 3mgo h ALA 140 Ca 0.22 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3mgo h ALA 140 Cb 0.46 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3mgo h ALA 140 CO -0.54 0.55 -0.18 1.96 0.00 0.00 0.00 179.25 181.04 3mgo h GLN 141 N 0.98 -0.15 -0.26 0.00 1.08 0.62 0.12 115.11 117.50 3mgo h GLN 141 Ca 0.24 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.51 3mgo h GLN 141 Cb 0.09 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 3mgo h GLN 141 CO -0.03 -0.10 -0.09 1.15 -0.95 0.00 0.00 178.83 178.80 3mgo h THR 142 N -0.16 0.68 -0.61 -0.54 2.02 -0.74 -0.62 112.91 112.95 3mgo h THR 142 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.39 3mgo h THR 142 Cb 0.38 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3mgo h THR 142 CO -0.36 0.00 0.31 0.74 0.37 0.00 0.00 175.52 176.58 3mgo h THR 143 N -0.04 0.92 -0.46 3.16 2.02 -1.12 -2.11 112.91 115.28 3mgo h THR 143 Ca 0.13 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.17 3mgo h THR 143 Cb 0.24 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 3mgo h THR 143 CO -0.29 0.10 0.21 0.50 0.37 0.00 0.00 175.52 176.41 3mgo h LYS 144 N 0.57 0.40 -0.09 6.66 3.64 0.44 -0.27 116.57 127.90 3mgo h LYS 144 Ca 0.28 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3mgo h LYS 144 Cb 0.22 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3mgo h LYS 144 CO -0.20 0.26 0.04 0.45 -2.27 0.00 0.00 179.45 177.73 3mgo h HIS 145 N 0.41 0.08 -0.29 1.91 3.86 -0.79 0.41 115.15 120.75 3mgo h HIS 145 Ca 0.21 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 3mgo h HIS 145 Cb 0.16 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 3mgo h HIS 145 CO -0.12 0.05 -0.13 -0.22 0.86 0.00 0.00 177.93 178.36 3mgo h LYS 146 N 0.10 -0.09 0.00 2.45 3.64 -0.90 -1.34 116.57 120.43 3mgo h LYS 146 Ca 0.04 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3mgo h LYS 146 Cb 0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3mgo h LYS 146 CO -0.03 -0.06 -0.22 -1.49 -2.27 0.00 0.00 179.45 175.38 3mgo h TRP 147 N -0.09 0.00 -0.28 1.91 4.06 -0.80 -2.01 115.95 118.74 3mgo h TRP 147 Ca 0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.94 3mgo h TRP 147 Cb 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3mgo h TRP 147 CO -0.33 0.22 -0.48 0.93 -3.56 0.00 0.00 178.44 175.23 3mgo h GLU 148 N 0.00 0.81 -0.03 0.49 5.08 -0.01 -0.99 114.58 119.93 3mgo h GLU 148 Ca -0.00 -0.50 -0.16 0.00 -1.00 0.00 0.00 59.36 57.70 3mgo h GLU 148 Cb 0.61 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3mgo h GLU 148 CO 0.03 1.13 -0.70 0.00 -1.00 0.00 0.00 179.01 178.48 3mgo h ALA 149 N 0.67 0.77 -0.15 3.43 0.00 -0.96 -2.74 119.26 120.28 3mgo h ALA 149 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3mgo h ALA 149 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3mgo h ALA 149 CO 0.11 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.17 3mgo n ALA 150 N -2.45 2.53 -3.96 0.00 0.00 -0.78 -4.93 120.51 110.92 3mgo n ALA 150 Ca -0.02 -0.44 -0.26 0.00 0.00 0.00 0.00 53.44 52.72 3mgo n ALA 150 Cb 0.68 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 3mgo n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mgo n HIS 151 N 0.10 -1.68 -0.17 0.00 -0.00 -0.97 -4.87 115.22 107.63 3mgo n HIS 151 Ca 0.15 0.76 -0.11 0.00 -0.00 0.00 0.00 57.72 58.52 3mgo n HIS 151 Cb 0.26 -3.73 0.01 0.00 -0.00 0.00 0.00 29.99 26.54 3mgo n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3mgo h VAL 152 N -1.82 1.27 -0.92 1.59 2.07 -1.47 -3.17 116.25 113.80 3mgo h VAL 152 Ca -0.63 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 65.62 3mgo h VAL 152 Cb 1.37 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 3mgo h VAL 152 CO 0.63 0.46 0.59 0.00 0.02 0.00 0.00 177.57 179.27 3mgo h ALA 153 N 0.92 1.25 -0.53 1.67 0.00 -1.90 -1.09 119.26 119.58 3mgo h ALA 153 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3mgo h ALA 153 Cb 0.74 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3mgo h ALA 153 CO 0.06 0.39 0.08 0.93 0.00 0.00 0.00 179.25 180.70 3mgo h GLU 154 N 1.09 0.85 -0.04 0.00 3.07 -1.81 -0.07 114.58 117.67 3mgo h GLU 154 Ca 0.39 -0.20 -0.23 0.00 -0.50 0.00 0.00 59.36 58.82 3mgo h GLU 154 Cb 0.11 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3mgo h GLU 154 CO -0.15 0.80 -0.87 1.96 -1.40 0.00 0.00 179.01 179.34 3mgo h GLN 155 N 0.80 0.67 -0.84 2.33 4.20 -1.48 -2.86 115.11 117.93 3mgo h GLN 155 Ca 0.17 -0.66 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 3mgo h GLN 155 Cb 0.37 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 3mgo h GLN 155 CO 0.01 1.26 0.46 -0.07 -0.67 0.00 0.00 178.83 179.82 3mgo h LEU 156 N 0.33 1.05 -0.72 1.46 3.38 -1.02 -2.72 115.31 117.07 3mgo h LEU 156 Ca -0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3mgo h LEU 156 Cb 1.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3mgo h LEU 156 CO 0.17 0.84 0.36 -0.09 0.09 0.00 0.00 178.44 179.81 3mgo h ARG 157 N 1.18 1.02 -0.54 1.13 2.43 -0.99 -0.41 114.38 118.20 3mgo h ARG 157 Ca 0.30 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3mgo h ARG 157 Cb 0.03 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.34 3mgo h ARG 157 CO -0.05 0.79 0.29 0.00 -1.51 0.00 0.00 179.97 179.49 3mgo h ALA 158 N 1.18 0.70 -0.12 2.80 0.00 -1.25 -0.31 119.26 122.25 3mgo h ALA 158 Ca 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3mgo h ALA 158 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mgo h ALA 158 CO -0.03 -0.05 0.02 -0.92 0.00 0.00 0.00 179.25 178.27 3mgo h TYR 159 N 0.55 0.22 -0.67 0.00 3.20 -1.19 -0.81 116.97 118.27 3mgo h TYR 159 Ca 0.24 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3mgo h TYR 159 Cb 0.13 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3mgo h TYR 159 CO -0.09 0.40 0.09 -0.07 -1.64 0.00 0.00 178.16 176.84 3mgo h LEU 160 N -0.03 1.07 0.00 2.82 3.38 -0.82 0.42 115.31 122.15 3mgo h LEU 160 Ca 0.04 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3mgo h LEU 160 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3mgo h LEU 160 CO 0.00 1.07 -0.73 -0.33 0.09 0.00 0.00 178.44 178.54 3mgo h GLU 161 N 1.04 0.00 0.00 1.13 5.08 -1.10 -3.33 114.58 117.39 3mgo h GLU 161 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3mgo h GLU 161 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3mgo h GLU 161 CO 0.02 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 3mgo n GLY 162 N 1.24 0.29 0.38 -3.84 0.00 -0.31 -4.64 105.19 98.31 3mgo n GLY 162 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 3mgo n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mgo h THR 163 N 0.00 0.07 -0.20 2.61 2.02 -1.54 0.86 112.91 116.73 3mgo h THR 163 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3mgo h THR 163 Cb 0.00 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.42 3mgo h THR 163 CO 0.00 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 175.68 3mgo h VAL 165 N -0.23 1.02 -0.32 0.00 2.07 -1.39 -0.89 116.25 116.51 3mgo h VAL 165 Ca 0.12 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3mgo h VAL 165 Cb 0.41 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3mgo h VAL 165 CO -0.34 0.04 0.03 -0.33 0.02 0.00 0.00 177.57 176.99 3mgo h GLU 166 N -0.09 0.12 0.00 1.57 5.08 -0.49 -0.76 114.58 120.01 3mgo h GLU 166 Ca -0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3mgo h GLU 166 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3mgo h GLU 166 CO 0.01 0.08 -0.42 -1.49 -1.00 0.00 0.00 179.01 176.18 3mgo h TRP 167 N 0.13 0.00 -0.33 4.33 4.06 -1.01 -1.85 115.95 121.27 3mgo h TRP 167 Ca 0.15 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 3mgo h TRP 167 Cb 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 3mgo h TRP 167 CO -0.21 0.42 0.16 1.25 -3.56 0.00 0.00 178.44 176.50 3mgo h LEU 168 N 0.00 0.44 -0.30 -4.49 5.85 -0.42 -1.08 115.31 115.30 3mgo h LEU 168 Ca -0.00 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3mgo h LEU 168 Cb 0.98 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3mgo h LEU 168 CO 0.06 0.45 0.11 0.03 -0.34 0.00 0.00 178.44 178.74 3mgo h ARG 169 N 0.40 0.24 -0.77 1.25 3.08 -0.84 -1.25 114.38 116.48 3mgo h ARG 169 Ca 0.11 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.22 3mgo h ARG 169 Cb 0.13 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3mgo h ARG 169 CO -0.01 0.16 0.45 -0.09 -1.07 0.00 0.00 179.97 179.41 3mgo h ARG 170 N 0.25 0.78 -0.39 0.04 2.43 -1.10 -0.46 114.38 115.93 3mgo h ARG 170 Ca 0.13 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3mgo h ARG 170 Cb 0.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3mgo h ARG 170 CO -0.13 0.52 0.04 1.88 -1.51 0.00 0.00 179.97 180.76 3mgo h TYR 171 N 0.80 0.71 -0.62 2.20 0.05 -0.82 -0.33 116.97 118.97 3mgo h TYR 171 Ca 0.35 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 59.06 3mgo h TYR 171 Cb 0.24 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 3mgo h TYR 171 CO -0.06 0.72 0.37 -0.07 -1.05 0.00 0.00 178.16 178.07 3mgo h LEU 172 N 0.50 0.58 0.38 3.88 3.38 -0.64 0.83 115.31 124.22 3mgo h LEU 172 Ca 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3mgo h LEU 172 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3mgo h LEU 172 CO 0.01 0.40 -0.18 -0.33 0.09 0.00 0.00 178.44 178.43 3mgo h GLU 173 N 0.71 -0.49 -0.34 1.13 5.08 -0.91 -2.08 114.58 117.68 3mgo h GLU 173 Ca 0.26 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3mgo h GLU 173 Cb 0.07 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3mgo h GLU 173 CO -0.13 -0.21 0.13 -0.91 -1.00 0.00 0.00 179.01 176.89 3mgo h ASN 174 N -0.72 0.43 -1.12 1.42 -0.26 -0.91 -2.70 115.58 111.72 3mgo h ASN 174 Ca -0.05 -0.04 -0.63 0.00 -0.56 0.00 0.00 56.30 55.02 3mgo h ASN 174 Cb 0.50 -0.11 -0.36 0.00 -1.06 0.00 0.00 38.32 37.29 3mgo h ASN 174 CO 0.09 0.40 0.01 0.61 -1.06 0.00 0.00 177.43 177.48 3mgo n GLY 175 N -1.22 6.05 0.36 2.83 0.00 0.27 -4.81 105.19 108.68 3mgo n GLY 175 Ca 0.02 -2.54 -0.02 0.00 0.00 0.00 0.00 46.02 43.48 3mgo n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mgo h LYS 176 N 2.29 1.21 -0.47 1.61 3.64 -1.02 0.20 116.57 124.04 3mgo h LYS 176 Ca 0.47 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.80 3mgo h LYS 176 Cb 1.00 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3mgo h LYS 176 CO 1.14 0.80 0.31 1.49 -2.27 0.00 0.00 179.45 180.93 3mgo h GLU 177 N 1.25 0.51 0.00 1.90 4.81 -1.87 -1.85 114.58 119.33 3mgo h GLU 177 Ca 0.36 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.30 3mgo h GLU 177 Cb -0.10 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 3mgo h GLU 177 CO -0.09 0.34 -1.94 0.25 -0.73 0.00 0.00 179.01 176.83 3mgo n THR 178 N -4.48 0.94 0.23 0.32 -2.24 -1.10 -4.23 114.28 103.73 3mgo n THR 178 Ca 0.05 -0.33 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 3mgo n THR 178 Cb 0.14 -1.24 0.43 0.00 -2.10 0.00 0.00 70.33 67.56 3mgo n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3mgo h LEU 179 N -0.16 0.00 -2.74 3.22 3.38 -0.67 -3.11 115.31 115.23 3mgo h LEU 179 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3mgo h LEU 179 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3mgo h LEU 179 CO -0.11 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3mgo n GLN 180 N -3.28 2.67 -3.03 1.13 6.02 -0.69 -4.99 117.38 115.21 3mgo n GLN 180 Ca 0.01 -2.07 -0.34 0.00 -0.01 0.00 0.00 57.00 54.59 3mgo n GLN 180 Cb 0.44 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.33 3mgo n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3mgo s ARG 181 N -1.01 4.19 -0.29 -1.09 1.70 -1.18 -5.00 118.95 116.27 3mgo s ARG 181 Ca 0.26 0.88 0.02 0.00 -0.47 0.00 0.00 55.73 56.43 3mgo s ARG 181 Cb 0.14 -2.58 0.08 0.00 -0.57 0.00 0.00 34.95 32.02 3mgo s ARG 181 CO 0.18 0.22 -0.01 0.95 -1.08 0.00 0.00 175.30 175.56 3mgo s THR 182 N -1.82 1.89 -0.58 4.99 -4.23 -1.26 -4.66 115.64 109.97 3mgo s THR 182 Ca 0.51 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 59.05 3mgo s THR 182 Cb -0.13 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.55 3mgo s THR 182 CO 0.19 -0.35 0.73 -1.81 -0.54 0.00 0.00 174.62 172.84 3mgo s ASP 183 N 1.16 6.20 0.39 3.99 1.01 -0.08 -4.82 116.67 124.52 3mgo s ASP 183 Ca 0.02 -1.16 -0.27 0.00 0.71 0.00 0.00 52.55 51.85 3mgo s ASP 183 Cb -0.19 -2.32 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 3mgo s ASP 183 CO -0.09 -1.11 1.34 0.00 0.21 0.00 0.00 175.17 175.53 3mgo n ALA 184 N 6.56 1.62 -1.77 5.23 0.00 -1.26 -1.59 120.51 129.30 3mgo n ALA 184 Ca -0.07 0.32 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 3mgo n ALA 184 Cb 0.44 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 3mgo n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mgo s PRO 185 N -2.09 4.23 -0.22 0.00 0.04 -1.26 -4.60 135.00 131.10 3mgo s PRO 185 Ca 0.57 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 3mgo s PRO 185 Cb -0.52 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 3mgo s PRO 185 CO 0.61 -0.29 0.80 0.15 0.04 0.00 0.00 177.00 178.31 3mgo s LYS 186 N -1.94 4.21 -0.04 4.56 -0.14 0.75 -4.82 119.74 122.31 3mgo s LYS 186 Ca 0.51 0.90 0.05 0.00 -1.36 0.00 0.00 55.97 56.08 3mgo s LYS 186 Cb -0.39 -3.62 -0.02 0.00 -1.68 0.00 0.00 37.83 32.11 3mgo s LYS 186 CO 0.52 -0.44 -0.20 0.95 -0.76 0.00 0.00 175.35 175.42 3mgo s THR 187 N 2.55 2.58 0.32 2.17 -4.23 -1.26 -0.72 115.64 117.06 3mgo s THR 187 Ca 0.34 -0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 3mgo s THR 187 Cb -0.16 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.73 3mgo s THR 187 CO 0.09 0.58 0.54 -1.38 -0.54 0.00 0.00 174.62 173.92 3mgo s HIS 188 N -0.61 0.60 -0.03 3.99 -3.43 -1.09 -5.00 115.29 109.72 3mgo s HIS 188 Ca 0.09 -0.97 0.02 0.00 -0.80 0.00 0.00 55.06 53.40 3mgo s HIS 188 Cb -0.11 0.22 0.01 0.00 -1.43 0.00 0.00 32.58 31.27 3mgo s HIS 188 CO 0.00 -1.17 -0.07 1.41 -2.00 0.00 0.00 174.74 172.91 3mgo s MET 189 N -3.28 0.80 0.13 -0.38 1.75 -1.26 -0.50 119.30 116.56 3mgo s MET 189 Ca 0.24 -0.22 0.07 0.00 -1.25 0.00 0.00 55.69 54.53 3mgo s MET 189 Cb -0.02 -0.77 -0.04 0.00 2.84 0.00 0.00 34.83 36.84 3mgo s MET 189 CO 0.14 0.05 -0.05 0.95 -0.65 0.00 0.00 175.02 175.46 3mgo s THR 190 N 0.35 3.58 -0.08 10.11 -4.23 -0.47 -4.97 115.64 119.93 3mgo s THR 190 Ca -0.05 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 3mgo s THR 190 Cb -0.09 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.06 3mgo s THR 190 CO 0.00 0.04 0.01 -2.28 -0.54 0.00 0.00 174.62 171.85 3mgo s HIS 191 N -1.41 0.60 -0.01 3.99 2.46 -1.26 -1.77 115.29 117.88 3mgo s HIS 191 Ca 0.24 -0.16 0.01 0.00 0.47 0.00 0.00 55.06 55.62 3mgo s HIS 191 Cb -0.11 -0.77 0.01 0.00 -0.13 0.00 0.00 32.58 31.58 3mgo s HIS 191 CO 0.16 -0.33 -0.03 -1.01 -2.47 0.00 0.00 174.74 171.06 3mgo s HIS 192 N 2.00 0.38 -0.17 3.88 3.76 -0.85 -4.97 115.29 119.32 3mgo s HIS 192 Ca 0.05 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.61 3mgo s HIS 192 Cb -0.13 -0.33 -0.00 0.00 1.11 0.00 0.00 32.58 33.24 3mgo s HIS 192 CO -0.05 -0.06 0.99 0.00 -0.85 0.00 0.00 174.74 174.76 3mgo s ALA 193 N 0.34 3.55 -0.13 -1.40 0.00 -1.26 0.71 121.76 123.57 3mgo s ALA 193 Ca -0.03 0.22 0.17 0.00 0.00 0.00 0.00 51.96 52.31 3mgo s ALA 193 Cb -0.07 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 3mgo s ALA 193 CO -0.01 -0.81 0.87 -0.39 0.00 0.00 0.00 175.76 175.43 3mgo h VAL 194 N 5.27 0.50 -0.34 0.00 -1.51 -1.85 -3.48 116.25 114.84 3mgo h VAL 194 Ca -0.25 -1.97 0.00 0.00 -1.23 0.00 0.00 66.70 63.25 3mgo h VAL 194 Cb 1.11 2.04 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 3mgo h VAL 194 CO 0.90 0.29 0.00 -1.54 -1.23 0.00 0.00 177.57 175.99 3mgo n SER 195 N -2.90 0.00 0.04 4.19 3.41 -1.20 -5.02 113.62 112.14 3mgo n SER 195 Ca -0.08 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.64 3mgo n SER 195 Cb 0.82 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 3mgo n SER 195 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3mgo n ASP 196 N 0.00 0.50 -0.16 4.04 4.64 -1.26 -4.36 116.55 119.96 3mgo n ASP 196 Ca 0.00 0.01 0.02 0.00 -1.38 0.00 0.00 54.79 53.44 3mgo n ASP 196 Cb 0.00 1.07 0.02 0.00 -1.04 0.00 0.00 41.12 41.17 3mgo n ASP 196 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 3mgo n HIS 197 N -2.28 0.00 -3.95 -0.67 -0.00 -1.26 -4.90 115.22 102.17 3mgo n HIS 197 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.63 3mgo n HIS 197 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 3mgo n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3mgo s GLU 198 N -0.40 0.73 0.02 -0.41 2.02 -1.26 -1.86 118.70 117.53 3mgo s GLU 198 Ca 0.05 -1.01 -0.14 0.00 0.02 0.00 0.00 54.97 53.89 3mgo s GLU 198 Cb 0.03 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.56 3mgo s GLU 198 CO 0.06 -0.20 0.29 0.00 0.02 0.00 0.00 175.26 175.43 3mgo s ALA 199 N -3.68 -0.68 -0.28 5.21 0.00 -0.08 -2.70 121.76 119.55 3mgo s ALA 199 Ca 0.04 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 3mgo s ALA 199 Cb 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3mgo s ALA 199 CO -0.10 -0.33 0.38 0.99 0.00 0.00 0.00 175.76 176.71 3mgo s THR 200 N -1.95 5.16 -0.29 0.00 2.01 0.22 -0.29 115.64 120.50 3mgo s THR 200 Ca -0.09 0.52 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 3mgo s THR 200 Cb -0.03 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3mgo s THR 200 CO 0.00 0.12 0.20 -0.76 -0.69 0.00 0.00 174.62 173.49 3mgo s LEU 201 N 2.09 4.12 -0.18 4.42 1.43 -0.44 -2.00 118.68 128.13 3mgo s LEU 201 Ca 0.15 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3mgo s LEU 201 Cb -0.16 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3mgo s LEU 201 CO 0.10 -0.09 -0.17 -0.60 0.23 0.00 0.00 176.35 175.83 3mgo s ARG 202 N 1.76 3.10 -0.20 1.70 3.52 -0.73 -0.91 118.95 127.18 3mgo s ARG 202 Ca 0.07 -0.78 -0.16 0.00 -0.13 0.00 0.00 55.73 54.72 3mgo s ARG 202 Cb -0.16 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 3mgo s ARG 202 CO 0.11 -0.14 0.42 0.00 -0.81 0.00 0.00 175.30 174.88 3mgo s TRP 204 N 1.40 3.08 -0.11 0.00 0.52 0.34 -1.88 118.94 122.29 3mgo s TRP 204 Ca 0.20 0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.45 3mgo s TRP 204 Cb -0.15 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 3mgo s TRP 204 CO 0.08 0.42 -0.10 0.00 0.02 0.00 0.00 176.95 177.38 3mgo s ALA 205 N -0.86 1.45 0.11 0.98 0.00 -0.39 -2.68 121.76 120.37 3mgo s ALA 205 Ca 0.13 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.52 3mgo s ALA 205 Cb -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3mgo s ALA 205 CO 0.02 -0.33 -0.12 -0.51 0.00 0.00 0.00 175.76 174.83 3mgo s LEU 206 N 1.50 2.41 -1.48 0.00 1.43 0.11 -2.16 118.68 120.50 3mgo s LEU 206 Ca 0.02 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 3mgo s LEU 206 Cb -0.13 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.72 3mgo s LEU 206 CO -0.07 -0.22 0.73 -1.20 0.23 0.00 0.00 176.35 175.81 3mgo n SER 207 N 0.49 -5.70 -4.79 2.29 7.64 -1.07 -0.18 113.62 112.29 3mgo n SER 207 Ca -0.15 -0.39 -0.28 0.00 1.01 0.00 0.00 58.87 59.05 3mgo n SER 207 Cb 0.58 -4.59 -0.06 0.00 -1.01 0.00 0.00 64.21 59.13 3mgo n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3mgo s PHE 208 N -3.18 3.18 -0.18 1.43 -0.12 -1.18 -4.68 117.98 113.24 3mgo s PHE 208 Ca 0.40 0.03 -0.13 0.00 -0.05 0.00 0.00 56.93 57.18 3mgo s PHE 208 Cb -0.19 -1.57 0.06 0.00 -0.63 0.00 0.00 43.02 40.69 3mgo s PHE 208 CO 0.50 0.52 0.47 -0.47 -0.05 0.00 0.00 175.22 176.19 3mgo s TYR 209 N -1.59 -0.62 0.13 3.49 5.04 -0.62 -1.46 117.35 121.73 3mgo s TYR 209 Ca 0.30 1.37 -0.02 0.00 -2.44 0.00 0.00 57.07 56.28 3mgo s TYR 209 Cb -0.11 0.27 0.03 0.00 0.35 0.00 0.00 41.96 42.50 3mgo s TYR 209 CO 0.23 -0.32 0.14 -2.30 -1.34 0.00 0.00 175.55 171.96 3mgo n PRO 210 N 3.67 -0.73 0.12 4.97 -0.02 -1.26 -0.90 135.00 140.85 3mgo n PRO 210 Ca -0.19 -0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.04 3mgo n PRO 210 Cb 0.56 -0.18 0.11 0.00 -0.02 0.00 0.00 33.50 33.97 3mgo n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mgo h ALA 211 N -2.03 0.85 -2.49 3.55 0.00 -1.96 -3.45 119.26 113.72 3mgo h ALA 211 Ca -0.05 -0.63 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 3mgo h ALA 211 Cb 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 17.87 3mgo h ALA 211 CO 0.03 0.87 1.08 -1.91 0.00 0.00 0.00 179.25 179.32 3mgo n GLU 212 N -3.71 2.74 -3.47 0.00 4.07 -1.26 -4.96 120.64 114.05 3mgo n GLU 212 Ca -0.01 1.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.97 3mgo n GLU 212 Cb 0.68 -2.87 -0.03 0.00 -0.06 0.00 0.00 31.44 29.16 3mgo n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3mgo s ILE 213 N 2.40 0.00 -0.11 6.31 2.07 -1.26 -4.61 121.20 126.00 3mgo s ILE 213 Ca 0.81 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.06 3mgo s ILE 213 Cb -0.50 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.10 3mgo s ILE 213 CO 0.37 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.37 3mgo s THR 214 N -3.01 1.43 -0.17 4.00 2.01 -0.65 -5.00 115.64 114.25 3mgo s THR 214 Ca 0.00 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.41 3mgo s THR 214 Cb -0.01 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.22 3mgo s THR 214 CO -0.08 0.43 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.41 3mgo s LEU 215 N 1.03 1.83 0.07 4.42 1.43 -1.26 -1.71 118.68 124.50 3mgo s LEU 215 Ca -0.06 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3mgo s LEU 215 Cb -0.15 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3mgo s LEU 215 CO -0.02 -0.11 -0.10 0.42 0.23 0.00 0.00 176.35 176.76 3mgo s THR 216 N 1.50 0.85 -0.04 5.49 -4.23 -0.84 -4.94 115.64 113.43 3mgo s THR 216 Ca 0.02 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3mgo s THR 216 Cb -0.14 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 3mgo s THR 216 CO -0.09 -0.42 -0.04 0.26 -0.54 0.00 0.00 174.62 173.79 3mgo s TRP 217 N -1.83 2.99 0.03 3.99 0.52 -1.26 -0.37 118.94 123.01 3mgo s TRP 217 Ca -0.01 0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.21 3mgo s TRP 217 Cb -0.07 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3mgo s TRP 217 CO 0.01 0.40 -0.17 -0.65 0.02 0.00 0.00 176.95 176.56 3mgo s GLN 218 N -1.17 1.17 -0.30 4.98 -0.21 0.47 -1.89 119.66 122.72 3mgo s GLN 218 Ca 0.16 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.76 3mgo s GLN 218 Cb -0.11 -1.20 0.06 0.00 1.00 0.00 0.00 33.01 32.75 3mgo s GLN 218 CO 0.05 0.31 -0.01 0.50 -2.12 0.00 0.00 175.29 174.02 3mgo s ARG 219 N -0.97 2.33 -1.47 2.91 3.52 0.01 -0.66 118.95 124.62 3mgo s ARG 219 Ca 0.05 -1.33 -0.07 0.00 -0.13 0.00 0.00 55.73 54.25 3mgo s ARG 219 Cb -0.08 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3mgo s ARG 219 CO 0.01 -0.64 0.64 -0.25 -0.81 0.00 0.00 175.30 174.24 3mgo n ASP 220 N 4.57 -5.46 0.00 -2.12 8.00 -0.19 -1.98 116.55 119.37 3mgo n ASP 220 Ca -0.12 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3mgo n ASP 220 Cb 0.43 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 3mgo n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgo n GLY 221 N -1.48 1.06 3.72 0.44 0.00 -1.26 -5.04 105.19 102.63 3mgo n GLY 221 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3mgo n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgo s GLU 222 N -0.41 4.08 0.53 1.61 2.02 -0.84 -5.01 118.70 120.69 3mgo s GLU 222 Ca 0.00 -0.25 -0.22 0.00 0.02 0.00 0.00 54.97 54.52 3mgo s GLU 222 Cb 0.00 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 3mgo s GLU 222 CO 0.00 0.33 1.38 -0.51 0.02 0.00 0.00 175.26 176.48 3mgo s ASP 223 N 0.26 5.32 -0.19 -0.19 1.11 -1.26 -0.81 116.67 120.91 3mgo s ASP 223 Ca 0.07 2.81 0.13 0.00 0.18 0.00 0.00 52.55 55.75 3mgo s ASP 223 Cb -0.11 -2.64 0.38 0.00 1.07 0.00 0.00 42.92 41.62 3mgo s ASP 223 CO -0.01 -1.54 1.21 0.00 1.18 0.00 0.00 175.17 176.01 3mgo n GLN 224 N -0.92 1.52 -0.32 8.23 1.13 -0.79 -4.84 117.38 121.38 3mgo n GLN 224 Ca 0.10 -3.08 0.03 0.00 -1.94 0.00 0.00 57.00 52.10 3mgo n GLN 224 Cb 0.44 -1.59 0.08 0.00 0.11 0.00 0.00 30.24 29.29 3mgo n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3mgo n THR 225 N -1.21 -0.40 0.29 5.09 -1.04 -1.26 0.42 114.28 116.17 3mgo n THR 225 Ca 0.19 1.99 0.15 0.00 -2.04 0.00 0.00 64.05 64.33 3mgo n THR 225 Cb 0.69 -2.70 0.52 0.00 -1.82 0.00 0.00 70.33 67.02 3mgo n THR 225 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 3mgo h GLN 226 N 0.00 0.00 -0.34 -2.82 3.07 -1.99 -3.14 115.11 109.88 3mgo h GLN 226 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.10 3mgo h GLN 226 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 3mgo h GLN 226 CO -0.87 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 177.80 3mgo n ASP 227 N -2.97 2.94 -4.50 0.06 10.43 0.17 -4.96 116.55 117.72 3mgo n ASP 227 Ca 0.02 -2.02 -0.33 0.00 2.57 0.00 0.00 54.79 55.03 3mgo n ASP 227 Cb 0.36 -0.24 -0.13 0.00 1.84 0.00 0.00 41.12 42.96 3mgo n ASP 227 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3mgo s THR 228 N -1.03 3.17 -0.37 -3.53 -4.23 -0.52 -4.47 115.64 104.67 3mgo s THR 228 Ca 0.23 -0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 3mgo s THR 228 Cb 0.12 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3mgo s THR 228 CO 0.16 0.57 0.69 -0.70 -0.54 0.00 0.00 174.62 174.79 3mgo s GLU 229 N -0.83 3.65 -0.30 3.99 2.12 0.10 -4.92 118.70 122.52 3mgo s GLU 229 Ca 0.12 0.09 -0.09 0.00 0.36 0.00 0.00 54.97 55.46 3mgo s GLU 229 Cb -0.11 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.45 3mgo s GLU 229 CO 0.01 -0.82 0.13 -0.51 -0.54 0.00 0.00 175.26 173.54 3mgo s LEU 230 N 2.87 3.97 0.44 2.70 1.43 -1.26 -1.73 118.68 127.11 3mgo s LEU 230 Ca 0.27 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 3mgo s LEU 230 Cb -0.14 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 3mgo s LEU 230 CO 0.16 -0.17 0.84 0.68 0.23 0.00 0.00 176.35 178.09 3mgo s VAL 231 N 1.60 4.72 0.36 -1.59 -7.23 -1.16 -5.04 120.40 112.07 3mgo s VAL 231 Ca 0.05 0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 60.71 3mgo s VAL 231 Cb -0.17 -3.74 -0.09 0.00 0.56 0.00 0.00 36.38 32.94 3mgo s VAL 231 CO 0.05 -0.60 1.27 -0.70 -0.31 0.00 0.00 175.10 174.81 3mgo s GLU 232 N -3.98 4.19 0.11 4.82 2.12 -1.26 -4.66 118.70 120.04 3mgo s GLU 232 Ca 0.53 2.10 -0.33 0.00 0.36 0.00 0.00 54.97 57.63 3mgo s GLU 232 Cb -0.10 -2.91 -0.12 0.00 0.26 0.00 0.00 34.13 31.26 3mgo s GLU 232 CO 0.33 -0.28 1.71 2.41 -0.54 0.00 0.00 175.26 178.88 3mgo n THR 233 N 0.48 0.19 -4.49 -1.70 -1.04 -1.26 -4.81 114.28 101.65 3mgo n THR 233 Ca 0.02 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.76 3mgo n THR 233 Cb 0.43 -1.79 -0.13 0.00 -1.82 0.00 0.00 70.33 67.02 3mgo n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mgo s ARG 234 N 1.96 1.21 0.14 -2.82 1.70 -0.23 -4.93 118.95 115.99 3mgo s ARG 234 Ca 0.82 -0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 3mgo s ARG 234 Cb -0.61 -1.33 -0.07 0.00 -0.57 0.00 0.00 34.95 32.36 3mgo s ARG 234 CO 0.40 0.33 1.18 -2.14 -1.08 0.00 0.00 175.30 173.99 3mgo s PRO 235 N -1.35 4.49 0.47 3.89 0.02 -1.26 0.32 135.00 141.57 3mgo s PRO 235 Ca 0.06 1.82 0.26 0.00 0.02 0.00 0.00 61.00 63.15 3mgo s PRO 235 Cb -0.09 -3.28 0.63 0.00 0.02 0.00 0.00 34.50 31.78 3mgo s PRO 235 CO 0.02 -0.11 1.71 0.00 -0.33 0.00 0.00 177.00 178.29 3mgo h ALA 236 N 5.71 0.99 0.00 -1.55 0.00 -1.58 -3.46 119.26 119.37 3mgo h ALA 236 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3mgo h ALA 236 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mgo h ALA 236 CO 0.76 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.45 3mgo n GLY 237 N 0.79 0.03 0.75 0.00 0.00 -1.26 -4.90 105.19 100.60 3mgo n GLY 237 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3mgo n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgo n ASP 238 N 0.00 3.01 0.00 1.61 5.75 -1.26 -4.93 116.55 120.73 3mgo n ASP 238 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3mgo n ASP 238 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 3mgo n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mgo n GLY 239 N 0.74 0.32 3.91 6.12 0.00 -1.26 -5.08 105.19 109.95 3mgo n GLY 239 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3mgo n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mgo s THR 240 N -2.00 2.16 0.24 2.61 -4.23 -1.26 -4.89 115.64 108.27 3mgo s THR 240 Ca 0.00 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 3mgo s THR 240 Cb 0.00 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 3mgo s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 3mgo s PHE 241 N -2.63 1.68 0.16 3.99 0.08 -0.53 -1.49 117.98 119.23 3mgo s PHE 241 Ca 0.45 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.72 3mgo s PHE 241 Cb -0.03 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 3mgo s PHE 241 CO 0.27 0.10 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.79 3mgo s GLN 242 N -3.79 1.07 -0.25 0.44 -0.21 0.15 -2.61 119.66 114.45 3mgo s GLN 242 Ca 0.27 -1.48 -0.27 0.00 0.02 0.00 0.00 55.36 53.90 3mgo s GLN 242 Cb 0.04 -0.44 0.16 0.00 1.00 0.00 0.00 33.01 33.77 3mgo s GLN 242 CO 0.09 -0.02 1.21 0.21 -2.12 0.00 0.00 175.29 174.65 3mgo s LYS 243 N -3.83 0.31 0.03 2.91 2.20 -0.92 -1.06 119.74 119.38 3mgo s LYS 243 Ca 0.19 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3mgo s LYS 243 Cb 0.04 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 3mgo s LYS 243 CO 0.02 -0.07 0.07 1.67 -0.36 0.00 0.00 175.35 176.67 3mgo s TRP 244 N -0.48 0.21 -0.10 4.03 1.48 -1.26 -1.26 118.94 121.56 3mgo s TRP 244 Ca 0.04 -0.49 0.01 0.00 -1.06 0.00 0.00 56.10 54.60 3mgo s TRP 244 Cb -0.03 -0.16 0.02 0.00 -1.16 0.00 0.00 33.47 32.14 3mgo s TRP 244 CO -0.07 -0.32 -0.12 0.00 -4.06 0.00 0.00 176.95 172.38 3mgo s ALA 245 N -2.26 1.49 0.10 2.67 0.00 -0.79 -2.97 121.76 120.00 3mgo s ALA 245 Ca -0.08 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.35 3mgo s ALA 245 Cb -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3mgo s ALA 245 CO -0.03 -0.15 -0.14 0.00 0.00 0.00 0.00 175.76 175.44 3mgo s ALA 246 N 1.16 2.83 -0.01 0.00 0.00 -0.70 -0.92 121.76 124.11 3mgo s ALA 246 Ca -0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 3mgo s ALA 246 Cb -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3mgo s ALA 246 CO -0.03 0.62 0.03 0.54 0.00 0.00 0.00 175.76 176.92 3mgo s VAL 247 N -1.16 0.00 -0.34 0.00 0.11 -0.09 -0.72 120.40 118.21 3mgo s VAL 247 Ca 0.19 -0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 58.98 3mgo s VAL 247 Cb -0.11 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 3mgo s VAL 247 CO 0.12 -0.02 0.80 -0.69 -3.33 0.00 0.00 175.10 171.98 3mgo s VAL 248 N -0.04 4.74 -0.18 2.04 1.01 -1.26 -1.32 120.40 125.40 3mgo s VAL 248 Ca -0.01 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 3mgo s VAL 248 Cb -0.01 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3mgo s VAL 248 CO 0.00 -0.36 -0.01 -0.69 0.00 0.00 0.00 175.10 174.03 3mgo s VAL 249 N 3.08 3.98 0.38 2.92 1.01 0.60 -4.93 120.40 127.45 3mgo s VAL 249 Ca 0.33 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 3mgo s VAL 249 Cb -0.13 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3mgo s VAL 249 CO 0.15 0.46 1.25 -2.84 0.00 0.00 0.00 175.10 174.12 3mgo s PRO 250 N 0.64 4.10 0.17 2.72 0.02 -1.26 -0.90 135.00 140.49 3mgo s PRO 250 Ca -0.01 2.05 -0.33 0.00 0.02 0.00 0.00 61.00 62.73 3mgo s PRO 250 Cb -0.14 -2.82 -0.16 0.00 0.02 0.00 0.00 34.50 31.40 3mgo s PRO 250 CO 0.02 -0.34 1.15 0.43 -0.33 0.00 0.00 177.00 177.93 3mgo n SER 251 N 0.30 1.24 0.00 2.53 7.64 -0.78 -2.05 113.62 122.50 3mgo n SER 251 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3mgo n SER 251 Cb 0.44 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3mgo n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgo n GLY 252 N 2.00 0.60 0.04 0.23 0.00 -1.26 -4.91 105.19 101.90 3mgo n GLY 252 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3mgo n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mgo n GLN 253 N -2.79 2.24 -0.35 1.61 6.02 -0.87 -4.75 117.38 118.50 3mgo n GLN 253 Ca 0.00 -1.35 0.11 0.00 -0.01 0.00 0.00 57.00 55.75 3mgo n GLN 253 Cb 0.00 -1.02 0.29 0.00 1.02 0.00 0.00 30.24 30.53 3mgo n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mgo h GLU 254 N 0.14 0.78 0.00 -1.09 3.07 -1.91 -1.18 114.58 114.39 3mgo h GLU 254 Ca 0.00 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3mgo h GLU 254 Cb 0.42 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3mgo h GLU 254 CO 0.00 0.51 -0.15 -0.56 -1.40 0.00 0.00 179.01 177.42 3mgo h GLN 255 N 0.80 0.00 0.00 2.33 -0.00 -1.86 -2.51 115.11 113.87 3mgo h GLN 255 Ca 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.15 3mgo h GLN 255 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.23 3mgo h GLN 255 CO -0.35 0.15 -0.19 0.00 -0.00 0.00 0.00 178.83 178.43 3mgo h ARG 256 N 0.00 0.00 -5.99 0.06 3.08 -1.57 -3.45 114.38 106.52 3mgo h ARG 256 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.43 3mgo h ARG 256 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 3mgo h ARG 256 CO 0.02 0.19 -0.23 0.71 -1.07 0.00 0.00 179.97 179.59 3mgo s TYR 257 N -3.86 3.71 -0.03 3.04 1.51 -0.95 -1.02 117.35 119.76 3mgo s TYR 257 Ca -0.01 0.94 0.02 0.00 -1.01 0.00 0.00 57.07 57.01 3mgo s TYR 257 Cb 0.11 -2.25 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 3mgo s TYR 257 CO 0.62 0.64 -0.08 0.95 -1.11 0.00 0.00 175.55 176.57 3mgo s THR 258 N -1.10 0.75 -0.13 -0.71 -4.23 0.17 -4.41 115.64 105.97 3mgo s THR 258 Ca 0.24 -0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 3mgo s THR 258 Cb -0.16 -0.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 3mgo s THR 258 CO 0.13 0.24 0.25 0.00 -0.54 0.00 0.00 174.62 174.70 3mgo s HIS 260 N -0.11 2.69 -0.13 0.00 3.76 0.50 -0.28 115.29 121.72 3mgo s HIS 260 Ca 0.16 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 54.15 3mgo s HIS 260 Cb -0.13 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.78 3mgo s HIS 260 CO 0.04 -0.38 -0.20 0.08 -0.85 0.00 0.00 174.74 173.43 3mgo s VAL 261 N 0.46 1.90 -0.12 -0.90 1.01 -0.53 -1.99 120.40 120.24 3mgo s VAL 261 Ca -0.13 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3mgo s VAL 261 Cb -0.17 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3mgo s VAL 261 CO 0.05 0.52 -0.21 -1.10 0.00 0.00 0.00 175.10 174.36 3mgo s GLN 262 N 0.86 2.87 -0.10 2.72 -0.21 -0.69 -0.69 119.66 124.41 3mgo s GLN 262 Ca -0.07 -0.80 -0.23 0.00 0.02 0.00 0.00 55.36 54.28 3mgo s GLN 262 Cb -0.15 -2.28 0.05 0.00 1.00 0.00 0.00 33.01 31.63 3mgo s GLN 262 CO -0.02 0.04 0.54 -1.58 -2.12 0.00 0.00 175.29 172.15 3mgo s HIS 263 N 0.69 -0.52 0.43 0.91 2.46 -1.26 -1.64 115.29 116.36 3mgo s HIS 263 Ca -0.11 1.06 0.23 0.00 0.47 0.00 0.00 55.06 56.71 3mgo s HIS 263 Cb -0.16 0.25 1.22 0.00 -0.13 0.00 0.00 32.58 33.77 3mgo s HIS 263 CO 0.02 -0.43 1.77 1.49 -2.47 0.00 0.00 174.74 175.11 3mgo h GLU 264 N 4.08 0.28 0.00 2.88 4.81 -1.93 0.15 114.58 124.85 3mgo h GLU 264 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3mgo h GLU 264 Cb 1.16 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3mgo h GLU 264 CO 0.30 0.18 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 3mgo n GLY 265 N -1.54 -1.29 3.68 1.92 0.00 -1.26 -4.74 105.19 101.96 3mgo n GLY 265 Ca 0.26 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3mgo n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgo s LEU 266 N -2.68 4.09 0.13 0.99 1.43 0.54 -4.49 118.68 118.68 3mgo s LEU 266 Ca 0.23 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.26 3mgo s LEU 266 Cb 0.19 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3mgo s LEU 266 CO 0.45 0.13 1.67 -0.65 0.23 0.00 0.00 176.35 178.19 3mgo h PRO 267 N 7.01 -0.17 -5.19 1.29 0.11 -1.85 -3.44 132.00 129.76 3mgo h PRO 267 Ca -0.39 0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.36 3mgo h PRO 267 Cb 1.16 0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 3mgo h PRO 267 CO 0.71 -0.11 -0.75 -1.59 -0.21 0.00 0.00 178.00 176.04 3mgo s LYS 268 N -6.15 0.89 0.31 1.05 0.00 -1.26 -5.12 119.74 109.45 3mgo s LYS 268 Ca -0.14 -1.12 -0.29 0.00 0.00 0.00 0.00 55.97 54.42 3mgo s LYS 268 Cb 0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 37.83 37.08 3mgo s LYS 268 CO 0.67 0.13 1.23 -2.30 0.00 0.00 0.00 175.35 175.09 3mgo n PRO 269 N 0.75 1.88 -3.30 1.78 -0.02 -1.26 -4.96 135.00 129.87 3mgo n PRO 269 Ca -0.17 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 3mgo n PRO 269 Cb 0.56 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 3mgo n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mgo s LEU 270 N -0.39 4.22 -0.12 2.45 1.43 0.13 -4.91 118.68 121.49 3mgo s LEU 270 Ca 0.59 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 3mgo s LEU 270 Cb -0.63 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.00 3mgo s LEU 270 CO 0.59 -0.03 -0.11 -0.89 0.23 0.00 0.00 176.35 176.14 3mgo s THR 271 N -1.70 1.25 -0.04 5.49 2.01 -1.26 -1.45 115.64 119.95 3mgo s THR 271 Ca 0.45 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.07 3mgo s THR 271 Cb -0.13 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3mgo s THR 271 CO 0.20 0.40 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.55 3mgo s LEU 272 N 1.48 2.03 -0.03 4.42 1.43 0.62 -4.95 118.68 123.67 3mgo s LEU 272 Ca 0.02 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3mgo s LEU 272 Cb -0.13 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.91 3mgo s LEU 272 CO -0.07 0.24 0.06 0.00 0.23 0.00 0.00 176.35 176.81 3mgo s ARG 273 N -0.30 0.02 0.03 1.70 1.70 -1.26 0.69 118.95 121.53 3mgo s ARG 273 Ca 0.02 0.20 -0.30 0.00 -0.47 0.00 0.00 55.73 55.18 3mgo s ARG 273 Cb -0.11 -0.15 -0.08 0.00 -0.57 0.00 0.00 34.95 34.04 3mgo s ARG 273 CO 0.01 -0.12 1.82 -0.46 -1.08 0.00 0.00 175.30 175.47 3mgo s TRP 274 N 0.81 1.74 0.00 5.89 -0.11 -1.26 -5.08 118.94 120.93 3mgo s TRP 274 Ca -0.07 -0.12 0.00 0.00 1.22 0.00 0.00 56.10 57.14 3mgo s TRP 274 Cb -0.09 -4.11 0.00 0.00 -1.50 0.00 0.00 33.47 27.77 3mgo s TRP 274 CO -0.03 -4.78 0.00 -0.85 -4.62 0.00 0.00 176.95 166.67