#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgt s SER 2 N 0.00 5.10 0.11 1.61 1.04 -1.26 -3.65 113.70 116.65 3mgt s SER 2 Ca 0.00 1.02 -0.08 0.00 0.48 0.00 0.00 55.95 57.36 3mgt s SER 2 Cb 0.00 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.41 3mgt s SER 2 CO 0.00 -1.55 0.20 -1.00 0.98 0.00 0.00 173.24 171.87 3mgt s HIS 3 N -3.43 0.25 0.04 5.02 3.76 -0.52 -4.94 115.29 115.46 3mgt s HIS 3 Ca 0.60 -0.66 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 3mgt s HIS 3 Cb -0.11 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 3mgt s HIS 3 CO 0.51 -0.58 0.01 -1.54 -0.85 0.00 0.00 174.74 172.29 3mgt s SER 4 N -2.89 0.36 -0.04 1.40 1.04 -1.26 -0.64 113.70 111.66 3mgt s SER 4 Ca 0.09 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.75 3mgt s SER 4 Cb 0.05 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.37 3mgt s SER 4 CO -0.08 -0.53 -0.08 -0.32 0.98 0.00 0.00 173.24 173.21 3mgt s MET 5 N -3.15 1.07 -0.01 4.02 -2.45 -0.18 -0.98 119.30 117.62 3mgt s MET 5 Ca -0.00 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.21 3mgt s MET 5 Cb 0.02 -0.98 -0.01 0.00 1.25 0.00 0.00 34.83 35.12 3mgt s MET 5 CO -0.07 0.02 -0.08 1.03 1.05 0.00 0.00 175.02 176.97 3mgt s ARG 6 N 0.55 0.71 -0.09 4.11 1.81 -0.60 -1.54 118.95 123.90 3mgt s ARG 6 Ca -0.09 -0.30 0.02 0.00 -1.72 0.00 0.00 55.73 53.64 3mgt s ARG 6 Cb -0.12 -0.68 -0.02 0.00 -0.45 0.00 0.00 34.95 33.67 3mgt s ARG 6 CO 0.01 0.18 -0.12 0.71 -0.68 0.00 0.00 175.30 175.39 3mgt s TYR 7 N -0.17 2.78 -0.10 -0.53 2.02 -0.00 -0.24 117.35 121.11 3mgt s TYR 7 Ca 0.03 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3mgt s TYR 7 Cb -0.04 -1.73 -0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3mgt s TYR 7 CO -0.00 0.05 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.75 3mgt s PHE 8 N -0.31 2.60 -0.09 2.71 0.08 0.69 -2.46 117.98 121.20 3mgt s PHE 8 Ca 0.03 -0.99 0.02 0.00 0.12 0.00 0.00 56.93 56.12 3mgt s PHE 8 Cb -0.13 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3mgt s PHE 8 CO 0.03 -0.39 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.53 3mgt s PHE 9 N 0.34 1.98 -0.17 0.36 0.08 0.17 -1.36 117.98 119.37 3mgt s PHE 9 Ca -0.18 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.03 3mgt s PHE 9 Cb -0.18 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3mgt s PHE 9 CO 0.08 -0.41 -0.18 0.99 -0.10 0.00 0.00 175.22 175.61 3mgt s THR 10 N 0.73 1.87 -0.18 0.64 2.01 -0.19 -1.28 115.64 119.24 3mgt s THR 10 Ca -0.12 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 3mgt s THR 10 Cb -0.16 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 3mgt s THR 10 CO 0.03 0.51 -0.07 -0.55 -0.69 0.00 0.00 174.62 173.85 3mgt s SER 11 N 1.36 4.30 -0.20 3.53 0.15 0.58 -1.12 113.70 122.31 3mgt s SER 11 Ca 0.05 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.38 3mgt s SER 11 Cb -0.13 -1.71 0.05 0.00 -1.71 0.00 0.00 66.02 62.52 3mgt s SER 11 CO -0.12 0.07 -0.08 -0.69 1.20 0.00 0.00 173.24 173.62 3mgt s VAL 12 N 0.96 1.44 0.35 4.45 1.01 0.43 -0.66 120.40 128.38 3mgt s VAL 12 Ca -0.01 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 3mgt s VAL 12 Cb -0.15 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 3mgt s VAL 12 CO 0.00 0.10 1.18 -0.94 0.00 0.00 0.00 175.10 175.44 3mgt s SER 13 N 1.48 6.79 -0.54 3.32 1.04 -0.50 -0.94 113.70 124.34 3mgt s SER 13 Ca -0.02 2.40 0.07 0.00 0.48 0.00 0.00 55.95 58.89 3mgt s SER 13 Cb -0.16 -2.63 0.25 0.00 0.10 0.00 0.00 66.02 63.58 3mgt s SER 13 CO -0.08 -0.49 0.66 0.54 0.98 0.00 0.00 173.24 174.85 3mgt n ARG 14 N 0.55 1.83 -1.61 4.02 1.74 -1.26 -4.08 116.66 117.84 3mgt n ARG 14 Ca 0.02 -4.11 -0.53 0.00 -0.77 0.00 0.00 57.85 52.46 3mgt n ARG 14 Cb 0.45 -1.85 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 3mgt n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3mgt n PRO 15 N 1.06 1.15 -0.30 5.56 -0.02 -1.26 -0.49 135.00 140.69 3mgt n PRO 15 Ca 0.26 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3mgt n PRO 15 Cb 0.46 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3mgt n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgt n GLY 16 N 2.78 1.76 0.59 -1.23 0.00 -1.26 -4.77 105.19 103.05 3mgt n GLY 16 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3mgt n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgt n ARG 17 N -2.00 2.55 0.00 1.61 1.74 0.36 -5.10 116.66 115.82 3mgt n ARG 17 Ca 0.00 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 3mgt n ARG 17 Cb 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 3mgt n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgt n GLY 18 N -0.55 -1.25 3.53 -0.13 0.00 -1.19 -4.97 105.19 100.63 3mgt n GLY 18 Ca 0.17 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3mgt n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mgt n GLU 19 N 0.00 0.95 -2.07 1.61 4.71 -1.26 -4.49 120.64 120.10 3mgt n GLU 19 Ca 0.00 0.34 -0.39 0.00 -0.01 0.00 0.00 57.16 57.11 3mgt n GLU 19 Cb 0.00 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 3mgt n GLU 19 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 3mgt s PRO 20 N -1.70 3.75 0.20 3.49 0.02 -1.26 -4.63 135.00 134.87 3mgt s PRO 20 Ca 0.62 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 3mgt s PRO 20 Cb -0.63 -2.56 -0.08 0.00 0.02 0.00 0.00 34.50 31.25 3mgt s PRO 20 CO 0.58 -0.63 1.17 0.50 -0.33 0.00 0.00 177.00 178.28 3mgt s ARG 21 N -2.50 4.53 -0.06 5.54 6.06 -0.12 -4.87 118.95 127.53 3mgt s ARG 21 Ca 0.62 1.84 -0.00 0.00 -2.50 0.00 0.00 55.73 55.68 3mgt s ARG 21 Cb -0.35 -3.24 0.03 0.00 0.06 0.00 0.00 34.95 31.44 3mgt s ARG 21 CO 0.44 -0.02 -0.02 0.12 -2.50 0.00 0.00 175.30 173.32 3mgt s PHE 22 N -0.25 0.70 -0.04 5.12 5.36 -1.26 -0.43 117.98 127.18 3mgt s PHE 22 Ca 0.51 -0.19 0.05 0.00 -0.96 0.00 0.00 56.93 56.34 3mgt s PHE 22 Cb -0.32 -0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 3mgt s PHE 22 CO 0.37 -0.28 -0.19 0.42 -1.46 0.00 0.00 175.22 174.08 3mgt s ILE 23 N 1.57 1.59 -0.04 3.12 -1.09 -0.28 -1.38 121.20 124.70 3mgt s ILE 23 Ca -0.01 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 3mgt s ILE 23 Cb -0.13 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.39 3mgt s ILE 23 CO -0.03 0.45 -0.13 0.00 -1.23 0.00 0.00 174.94 174.00 3mgt s ALA 24 N -0.04 1.21 0.02 9.38 0.00 -0.16 -1.02 121.76 131.14 3mgt s ALA 24 Ca -0.03 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.45 3mgt s ALA 24 Cb -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3mgt s ALA 24 CO 0.02 0.20 -0.06 0.14 0.00 0.00 0.00 175.76 176.06 3mgt s VAL 25 N 0.18 0.43 -0.04 0.00 -7.23 -0.47 -0.52 120.40 112.76 3mgt s VAL 25 Ca -0.05 -0.63 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 3mgt s VAL 25 Cb -0.11 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.38 3mgt s VAL 25 CO 0.02 -0.14 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.58 3mgt s GLY 26 N -0.84 1.26 0.06 2.32 0.00 -0.86 -0.22 107.32 109.04 3mgt s GLY 26 Ca -0.04 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.69 3mgt s GLY 26 CO 0.00 -0.78 -0.22 -0.19 0.00 0.00 0.00 173.10 171.91 3mgt s TYR 27 N -0.40 1.88 -0.22 1.90 1.51 0.67 -0.61 117.35 122.09 3mgt s TYR 27 Ca 0.04 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3mgt s TYR 27 Cb -0.12 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 3mgt s TYR 27 CO 0.01 0.13 -0.06 0.08 -1.11 0.00 0.00 175.55 174.60 3mgt s VAL 28 N -0.88 3.26 0.00 0.71 1.01 0.96 -1.56 120.40 123.90 3mgt s VAL 28 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3mgt s VAL 28 Cb -0.09 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3mgt s VAL 28 CO 0.02 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.03 3mgt n ASP 29 N 4.77 0.00 -1.77 3.32 8.00 -0.15 -0.63 116.55 130.08 3mgt n ASP 29 Ca -0.18 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.32 3mgt n ASP 29 Cb 0.51 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.94 3mgt n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mgt n ASP 30 N 4.60 4.91 -4.09 -2.24 8.00 -1.26 -4.87 116.55 121.60 3mgt n ASP 30 Ca 0.00 -3.13 -0.32 0.00 0.71 0.00 0.00 54.79 52.05 3mgt n ASP 30 Cb 0.00 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 3mgt n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgt s THR 31 N -2.92 2.09 0.37 -3.53 2.01 0.20 -5.01 115.64 108.85 3mgt s THR 31 Ca 0.53 -1.26 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 3mgt s THR 31 Cb 0.42 -2.04 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 3mgt s THR 31 CO 0.13 0.27 1.16 -1.58 -0.69 0.00 0.00 174.62 173.91 3mgt s GLN 32 N 1.21 4.23 0.00 4.92 0.74 -1.26 -0.03 119.66 129.47 3mgt s GLN 32 Ca -0.02 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.25 3mgt s GLN 32 Cb -0.16 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.12 3mgt s GLN 32 CO -0.09 -0.17 0.00 1.97 -0.55 0.00 0.00 175.29 176.44 3mgt n PHE 33 N 0.39 0.00 -4.17 1.67 -1.74 0.22 -4.19 117.46 109.65 3mgt n PHE 33 Ca 0.03 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.81 3mgt n PHE 33 Cb 0.46 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.36 3mgt n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3mgt s VAL 34 N -1.01 0.70 0.04 1.97 -7.23 -1.21 0.39 120.40 114.05 3mgt s VAL 34 Ca 0.00 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 3mgt s VAL 34 Cb 0.00 -1.65 0.04 0.00 0.56 0.00 0.00 36.38 35.33 3mgt s VAL 34 CO 0.00 -0.86 0.43 0.00 -0.31 0.00 0.00 175.10 174.37 3mgt s ARG 35 N -3.76 0.93 -0.03 4.82 1.70 -0.72 -2.02 118.95 119.88 3mgt s ARG 35 Ca 0.11 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 55.03 3mgt s ARG 35 Cb 0.05 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3mgt s ARG 35 CO -0.05 -0.32 0.07 0.12 -1.08 0.00 0.00 175.30 174.04 3mgt s PHE 36 N -2.40 -0.07 -0.08 5.89 5.36 0.32 -0.69 117.98 126.31 3mgt s PHE 36 Ca -0.06 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 3mgt s PHE 36 Cb -0.01 -0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.69 3mgt s PHE 36 CO -0.02 -0.05 -0.02 0.34 -1.46 0.00 0.00 175.22 174.02 3mgt s ASP 37 N 0.19 1.67 0.52 6.13 2.15 -1.26 -0.99 116.67 125.08 3mgt s ASP 37 Ca -0.01 -0.13 0.35 0.00 0.43 0.00 0.00 52.55 53.18 3mgt s ASP 37 Cb -0.02 -0.53 1.77 0.00 -0.30 0.00 0.00 42.92 43.84 3mgt s ASP 37 CO -0.01 -0.17 2.06 0.77 -0.17 0.00 0.00 175.17 177.65 3mgt h SER 38 N 8.22 0.00 0.08 -0.34 4.64 -1.62 -1.88 113.55 122.65 3mgt h SER 38 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3mgt h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3mgt h SER 38 CO 0.30 0.00 -0.61 0.47 -0.87 0.00 0.00 176.83 176.12 3mgt n ASP 39 N -2.79 1.41 -4.83 4.97 9.92 -1.26 -4.96 116.55 119.01 3mgt n ASP 39 Ca -0.01 -1.14 -0.30 0.00 -0.53 0.00 0.00 54.79 52.81 3mgt n ASP 39 Cb 0.13 0.57 0.07 0.00 -0.64 0.00 0.00 41.12 41.24 3mgt n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mgt s ALA 40 N -2.70 2.51 0.10 2.24 0.00 -0.71 -5.00 121.76 118.21 3mgt s ALA 40 Ca 0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 3mgt s ALA 40 Cb 0.18 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 20.05 3mgt s ALA 40 CO 0.67 -1.47 1.29 0.00 0.00 0.00 0.00 175.76 176.25 3mgt h ALA 41 N -0.90 0.28 -0.74 0.00 0.00 -1.93 -3.35 119.26 112.63 3mgt h ALA 41 Ca -0.46 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 53.85 3mgt h ALA 41 Cb 1.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3mgt h ALA 41 CO 0.60 0.69 0.48 0.66 0.00 0.00 0.00 179.25 181.68 3mgt h SER 42 N 0.51 0.80 -5.34 0.00 4.64 -1.94 -3.46 113.55 108.76 3mgt h SER 42 Ca -0.07 -0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.84 3mgt h SER 42 Cb 1.46 -0.19 0.11 0.00 -0.31 0.00 0.00 62.40 63.48 3mgt h SER 42 CO 0.17 0.57 -0.65 0.00 -0.87 0.00 0.00 176.83 176.04 3mgt n GLN 43 N -4.61 -6.89 -4.04 4.77 1.13 -1.26 -5.00 117.38 101.49 3mgt n GLN 43 Ca 0.08 0.86 -0.09 0.00 -1.94 0.00 0.00 57.00 55.91 3mgt n GLN 43 Cb 0.06 -5.84 -0.11 0.00 0.11 0.00 0.00 30.24 24.46 3mgt n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3mgt s ARG 44 N -6.10 0.46 0.24 -1.09 0.52 -1.26 -5.04 118.95 106.68 3mgt s ARG 44 Ca 0.49 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 3mgt s ARG 44 Cb -0.21 0.07 -0.10 0.00 0.52 0.00 0.00 34.95 35.23 3mgt s ARG 44 CO 0.60 -0.05 1.39 1.41 0.02 0.00 0.00 175.30 178.67 3mgt s MET 45 N -2.40 4.31 0.04 3.54 -2.45 -1.26 -4.69 119.30 116.39 3mgt s MET 45 Ca -0.06 2.22 0.07 0.00 -1.25 0.00 0.00 55.69 56.67 3mgt s MET 45 Cb -0.03 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.89 3mgt s MET 45 CO -0.04 -0.35 -0.20 -1.21 1.05 0.00 0.00 175.02 174.26 3mgt s GLU 46 N -0.36 1.36 0.32 4.11 2.02 0.14 -4.89 118.70 121.40 3mgt s GLU 46 Ca 0.58 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 3mgt s GLU 46 Cb -0.40 -1.48 -0.10 0.00 0.10 0.00 0.00 34.13 32.25 3mgt s GLU 46 CO 0.42 0.38 1.25 -1.25 0.02 0.00 0.00 175.26 176.07 3mgt s PRO 47 N -1.20 4.41 0.00 0.39 0.04 -1.26 -1.76 135.00 135.62 3mgt s PRO 47 Ca 0.07 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3mgt s PRO 47 Cb -0.09 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3mgt s PRO 47 CO 0.02 -0.10 0.63 0.54 0.04 0.00 0.00 177.00 178.13 3mgt n ARG 48 N 0.85 1.00 -4.11 4.56 5.12 0.16 -4.88 116.66 119.37 3mgt n ARG 48 Ca -0.00 -0.81 -0.14 0.00 -1.93 0.00 0.00 57.85 54.96 3mgt n ARG 48 Cb 0.43 -0.74 -0.13 0.00 -1.16 0.00 0.00 32.46 30.87 3mgt n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgt s ALA 49 N -0.37 0.55 0.20 7.54 0.00 -1.22 -4.68 121.76 123.79 3mgt s ALA 49 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 3mgt s ALA 49 Cb 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 23.12 23.24 3mgt s ALA 49 CO 0.00 0.04 1.85 -1.35 0.00 0.00 0.00 175.76 176.30 3mgt h PRO 50 N 5.09 1.00 0.00 0.00 0.11 -1.94 -2.83 132.00 133.43 3mgt h PRO 50 Ca -0.33 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3mgt h PRO 50 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3mgt h PRO 50 CO 0.44 0.70 0.00 -2.67 -0.21 0.00 0.00 178.00 176.26 3mgt n TRP 51 N -4.52 0.00 0.44 0.65 4.27 -1.26 -1.87 117.44 115.15 3mgt n TRP 51 Ca 0.07 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.72 3mgt n TRP 51 Cb 0.05 -0.17 -0.06 0.00 -1.36 0.00 0.00 31.31 29.77 3mgt n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3mgt n ILE 52 N -1.17 0.00 0.24 -1.67 0.13 -1.07 -4.65 119.36 111.17 3mgt n ILE 52 Ca 0.09 -0.27 0.09 0.00 -1.10 0.00 0.00 62.75 61.56 3mgt n ILE 52 Cb 0.09 0.98 0.62 0.00 -0.84 0.00 0.00 39.64 40.49 3mgt n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3mgt h GLU 53 N 0.00 0.00 -0.70 9.51 5.08 -1.36 -2.75 114.58 124.36 3mgt h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mgt h GLU 53 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3mgt h GLU 53 CO 0.00 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 3mgt n GLN 54 N -4.00 2.69 -2.04 2.33 1.13 -1.26 -4.93 117.38 111.29 3mgt n GLN 54 Ca -0.02 -2.61 -0.39 0.00 -1.94 0.00 0.00 57.00 52.04 3mgt n GLN 54 Cb 0.23 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3mgt n GLN 54 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3mgt s GLU 55 N -1.06 3.78 1.05 -1.09 2.56 -1.04 -4.95 118.70 117.95 3mgt s GLU 55 Ca 0.48 2.10 -0.15 0.00 0.00 0.00 0.00 54.97 57.40 3mgt s GLU 55 Cb 0.25 -2.60 0.11 0.00 2.00 0.00 0.00 34.13 33.89 3mgt s GLU 55 CO 0.33 -0.63 0.39 0.41 -0.56 0.00 0.00 175.26 175.20 3mgt n GLY 56 N 0.63 -2.08 0.24 -1.50 0.00 -1.26 -4.76 105.19 96.45 3mgt n GLY 56 Ca 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.33 3mgt n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mgt h PRO 57 N -1.97 0.00 -0.41 1.61 0.13 -1.98 -2.66 132.00 126.72 3mgt h PRO 57 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3mgt h PRO 57 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 3mgt h PRO 57 CO 0.39 0.16 0.22 1.49 -0.23 0.00 0.00 178.00 180.03 3mgt h GLU 58 N 0.00 0.57 0.39 0.86 4.22 -1.99 0.55 114.58 119.18 3mgt h GLU 58 Ca -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 3mgt h GLU 58 Cb 0.31 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3mgt h GLU 58 CO 0.02 0.46 -0.32 -0.92 -2.18 0.00 0.00 179.01 176.07 3mgt h TYR 59 N 0.52 -0.86 -0.42 0.92 5.03 -1.82 -1.18 116.97 119.15 3mgt h TYR 59 Ca 0.14 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.42 3mgt h TYR 59 Cb 0.06 0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 3mgt h TYR 59 CO -0.02 -0.47 0.12 -1.49 -1.32 0.00 0.00 178.16 174.97 3mgt h TRP 60 N -0.72 0.63 -0.35 -3.82 4.06 -1.38 0.03 115.95 114.39 3mgt h TRP 60 Ca -0.03 -0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 3mgt h TRP 60 Cb 0.63 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 3mgt h TRP 60 CO -0.16 0.54 0.00 -0.44 -3.56 0.00 0.00 178.44 174.82 3mgt h ASP 61 N 0.61 0.61 0.22 -3.49 3.32 -0.80 -0.97 116.42 115.92 3mgt h ASP 61 Ca 0.14 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3mgt h ASP 61 Cb 0.21 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3mgt h ASP 61 CO -0.01 0.77 -0.10 1.23 -1.72 0.00 0.00 179.24 179.41 3mgt h GLY 62 N 0.44 -0.30 1.26 2.75 0.00 -0.63 -0.48 103.07 106.11 3mgt h GLY 62 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3mgt h GLY 62 CO 0.02 -0.11 0.45 0.83 0.00 0.00 0.00 176.54 177.72 3mgt h GLU 63 N -0.34 0.98 -0.17 4.80 4.39 -1.00 -0.72 114.58 122.51 3mgt h GLU 63 Ca -0.03 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3mgt h GLU 63 Cb 0.26 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3mgt h GLU 63 CO 0.05 0.68 0.06 1.15 -1.16 0.00 0.00 179.01 179.79 3mgt h THR 64 N 1.00 1.17 0.28 1.13 2.02 -0.97 -1.36 112.91 116.18 3mgt h THR 64 Ca 0.26 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3mgt h THR 64 Cb -0.05 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3mgt h THR 64 CO -0.05 0.16 -0.28 -0.09 0.37 0.00 0.00 175.52 175.63 3mgt h ARG 65 N 0.11 -0.57 -0.55 6.66 2.43 -0.44 -1.94 114.38 120.08 3mgt h ARG 65 Ca 0.06 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3mgt h ARG 65 Cb 0.20 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3mgt h ARG 65 CO -0.00 -0.38 0.34 0.87 -1.51 0.00 0.00 179.97 179.29 3mgt h LYS 66 N -0.59 0.65 -0.06 0.20 1.57 -1.14 -2.55 116.57 114.65 3mgt h LYS 66 Ca -0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3mgt h LYS 66 Cb 0.54 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3mgt h LYS 66 CO -0.06 0.43 -0.20 -0.24 -0.57 0.00 0.00 179.45 178.81 3mgt h VAL 67 N 0.67 1.18 -0.49 0.50 3.04 -1.09 0.47 116.25 120.52 3mgt h VAL 67 Ca 0.22 -0.83 -0.12 0.00 -1.01 0.00 0.00 66.70 64.96 3mgt h VAL 67 Cb -0.00 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 3mgt h VAL 67 CO -0.09 0.25 -0.15 0.11 -1.01 0.00 0.00 177.57 176.68 3mgt h LYS 68 N 0.09 0.96 -0.34 4.17 1.57 -1.04 -0.70 116.57 121.28 3mgt h LYS 68 Ca 0.02 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3mgt h LYS 68 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3mgt h LYS 68 CO 0.03 1.04 0.09 0.00 -0.57 0.00 0.00 179.45 180.04 3mgt h ALA 69 N 0.97 0.45 -0.48 3.86 0.00 -0.88 -1.77 119.26 121.41 3mgt h ALA 69 Ca 0.12 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3mgt h ALA 69 Cb 0.71 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 3mgt h ALA 69 CO 0.05 0.11 -0.10 0.45 0.00 0.00 0.00 179.25 179.76 3mgt h HIS 70 N 0.40 -0.22 -0.28 0.00 3.86 -0.78 -1.75 115.15 116.39 3mgt h HIS 70 Ca 0.11 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3mgt h HIS 70 Cb 0.28 0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 3mgt h HIS 70 CO 0.01 -0.19 -0.07 1.03 0.86 0.00 0.00 177.93 179.57 3mgt h SER 71 N 0.01 -0.28 -0.61 2.45 0.87 -0.68 -2.17 113.55 113.15 3mgt h SER 71 Ca 0.23 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.79 3mgt h SER 71 Cb 0.35 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3mgt h SER 71 CO -0.48 -0.10 0.03 1.56 -0.53 0.00 0.00 176.83 177.32 3mgt h GLN 72 N -0.01 1.06 -0.62 2.24 1.08 -0.86 -1.78 115.11 116.23 3mgt h GLN 72 Ca 0.14 -0.32 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 3mgt h GLN 72 Cb 0.21 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 3mgt h GLN 72 CO -0.29 1.02 0.36 1.15 -0.95 0.00 0.00 178.83 180.12 3mgt h THR 73 N 0.97 1.01 -0.72 -0.54 2.02 -1.14 -2.25 112.91 112.26 3mgt h THR 73 Ca 0.18 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3mgt h THR 73 Cb 0.52 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3mgt h THR 73 CO 0.03 0.13 0.38 0.45 0.37 0.00 0.00 175.52 176.87 3mgt h HIS 74 N 0.69 1.00 -0.77 3.16 3.86 -1.00 -1.07 115.15 121.02 3mgt h HIS 74 Ca 0.27 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 3mgt h HIS 74 Cb 0.10 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.21 3mgt h HIS 74 CO -0.07 0.72 0.51 -0.09 0.86 0.00 0.00 177.93 179.86 3mgt h ARG 75 N 1.00 0.86 -0.13 2.45 2.43 -0.87 -1.18 114.38 118.94 3mgt h ARG 75 Ca 0.25 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3mgt h ARG 75 Cb 0.06 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3mgt h ARG 75 CO -0.04 0.57 -0.25 0.28 -1.51 0.00 0.00 179.97 179.02 3mgt h VAL 76 N 0.89 1.38 -0.99 0.20 2.07 -0.87 -3.26 116.25 115.66 3mgt h VAL 76 Ca 0.32 -1.52 0.10 0.00 0.82 0.00 0.00 66.70 66.42 3mgt h VAL 76 Cb 0.15 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 3mgt h VAL 76 CO -0.10 0.45 0.62 0.44 0.02 0.00 0.00 177.57 179.00 3mgt h ASP 77 N -0.02 0.94 -0.36 0.57 3.32 -0.55 -1.15 116.42 119.17 3mgt h ASP 77 Ca 0.00 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.16 3mgt h ASP 77 Cb 0.84 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 3mgt h ASP 77 CO 0.06 0.54 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.00 3mgt h LEU 78 N 1.04 -0.24 0.03 1.55 3.38 -1.28 0.25 115.31 120.04 3mgt h LEU 78 Ca 0.47 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.54 3mgt h LEU 78 Cb 0.38 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3mgt h LEU 78 CO -0.23 -0.08 -0.07 1.23 0.09 0.00 0.00 178.44 179.38 3mgt h GLY 79 N 0.05 -0.10 0.69 0.83 0.00 -1.33 -1.70 103.07 101.51 3mgt h GLY 79 Ca 0.18 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.62 3mgt h GLY 79 CO -0.33 -0.07 0.15 -0.84 0.00 0.00 0.00 176.54 175.44 3mgt h THR 80 N -0.13 0.91 -0.30 4.70 2.02 -0.51 -2.19 112.91 117.41 3mgt h THR 80 Ca 0.02 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3mgt h THR 80 Cb 0.15 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3mgt h THR 80 CO -0.04 0.06 -0.11 -0.07 0.37 0.00 0.00 175.52 175.72 3mgt h LEU 81 N 0.32 0.48 -1.02 2.58 3.38 -0.45 -0.65 115.31 119.94 3mgt h LEU 81 Ca 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3mgt h LEU 81 Cb 0.14 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3mgt h LEU 81 CO -0.17 0.63 0.47 -0.09 0.09 0.00 0.00 178.44 179.37 3mgt h ARG 82 N 0.46 1.15 -0.16 1.13 2.43 -0.76 -2.49 114.38 116.13 3mgt h ARG 82 Ca 0.09 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3mgt h ARG 82 Cb 0.48 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3mgt h ARG 82 CO 0.03 0.83 -0.12 0.78 -1.51 0.00 0.00 179.97 179.97 3mgt h GLY 83 N 1.18 0.39 0.15 2.80 0.00 -0.79 -1.19 103.07 105.60 3mgt h GLY 83 Ca 0.29 -0.38 0.20 0.00 0.00 0.00 0.00 47.33 47.45 3mgt h GLY 83 CO -0.05 0.35 0.62 -0.97 0.00 0.00 0.00 176.54 176.48 3mgt h TYR 84 N 0.00 0.86 -0.45 5.60 0.05 -0.85 -1.58 116.97 120.61 3mgt h TYR 84 Ca 0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3mgt h TYR 84 Cb 0.64 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3mgt h TYR 84 CO 0.08 0.19 0.00 0.66 -1.05 0.00 0.00 178.16 178.04 3mgt n TYR 85 N -4.67 0.59 -3.75 4.88 4.01 -0.97 -4.94 117.16 112.31 3mgt n TYR 85 Ca 0.22 -0.37 -0.33 0.00 -0.16 0.00 0.00 57.90 57.27 3mgt n TYR 85 Cb 0.65 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.71 3mgt n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3mgt n ASN 86 N 1.21 -4.78 -4.83 7.72 4.13 -0.59 -4.97 115.26 113.14 3mgt n ASN 86 Ca 0.18 -1.05 -0.22 0.00 1.68 0.00 0.00 54.58 55.17 3mgt n ASN 86 Cb 0.54 -3.14 -0.04 0.00 -1.54 0.00 0.00 39.78 35.59 3mgt n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3mgt s GLN 87 N -6.21 2.96 0.94 3.52 -0.21 -0.51 -5.05 119.66 115.11 3mgt s GLN 87 Ca 0.44 -1.03 -0.10 0.00 0.02 0.00 0.00 55.36 54.69 3mgt s GLN 87 Cb -0.17 -2.59 0.16 0.00 1.00 0.00 0.00 33.01 31.41 3mgt s GLN 87 CO 0.88 0.40 1.13 0.45 -2.12 0.00 0.00 175.29 176.03 3mgt n SER 88 N -1.18 0.16 -0.30 5.90 2.88 -1.26 -4.87 113.62 114.95 3mgt n SER 88 Ca -0.08 0.38 0.11 0.00 -1.33 0.00 0.00 58.87 57.95 3mgt n SER 88 Cb 0.58 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3mgt n SER 88 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3mgt n GLU 89 N -4.28 0.76 0.00 -1.46 2.13 -1.26 -4.18 120.64 112.35 3mgt n GLU 89 Ca 0.11 -0.61 0.12 0.00 0.66 0.00 0.00 57.16 57.44 3mgt n GLU 89 Cb 0.52 -1.49 0.08 0.00 0.27 0.00 0.00 31.44 30.83 3mgt n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mgt n ALA 90 N -0.59 3.37 -2.67 4.31 0.00 -1.26 -4.74 120.51 118.93 3mgt n ALA 90 Ca 0.08 -0.60 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 3mgt n ALA 90 Cb 0.41 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 3mgt n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mgt s GLY 91 N -2.43 2.32 0.26 0.00 0.00 -1.26 -4.71 107.32 101.50 3mgt s GLY 91 Ca 0.21 -0.41 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 3mgt s GLY 91 CO 0.53 0.00 1.03 -0.45 0.00 0.00 0.00 173.10 174.22 3mgt s SER 92 N -0.81 7.44 0.08 1.64 0.15 -1.26 -4.75 113.70 116.19 3mgt s SER 92 Ca 0.19 2.12 -0.00 0.00 0.70 0.00 0.00 55.95 58.96 3mgt s SER 92 Cb -0.14 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 3mgt s SER 92 CO 0.08 -0.01 -0.01 -1.00 1.20 0.00 0.00 173.24 173.50 3mgt s HIS 93 N -1.15 0.70 -0.09 3.44 3.76 -1.26 -4.97 115.29 115.73 3mgt s HIS 93 Ca 0.43 -1.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 3mgt s HIS 93 Cb -0.29 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 32.95 3mgt s HIS 93 CO 0.37 -0.36 -0.19 0.99 -0.85 0.00 0.00 174.74 174.70 3mgt s THR 94 N -3.88 1.67 -0.11 1.30 2.01 -1.26 -1.41 115.64 113.95 3mgt s THR 94 Ca 0.13 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3mgt s THR 94 Cb 0.07 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 3mgt s THR 94 CO -0.06 0.47 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.51 3mgt s VAL 95 N 0.48 2.93 0.03 3.82 1.01 0.16 -0.09 120.40 128.74 3mgt s VAL 95 Ca -0.17 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3mgt s VAL 95 Cb -0.17 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3mgt s VAL 95 CO 0.07 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.41 3mgt s GLN 96 N 0.19 1.38 -0.01 2.72 -0.21 -0.58 -0.31 119.66 122.84 3mgt s GLN 96 Ca -0.09 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.43 3mgt s GLN 96 Cb -0.15 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.40 3mgt s GLN 96 CO 0.05 0.38 -0.04 0.50 -2.12 0.00 0.00 175.29 174.06 3mgt s ARG 97 N -1.04 0.37 -0.02 2.91 3.52 -0.40 -0.51 118.95 123.78 3mgt s ARG 97 Ca 0.07 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 3mgt s ARG 97 Cb -0.08 -0.39 0.00 0.00 -1.56 0.00 0.00 34.95 32.92 3mgt s ARG 97 CO 0.01 0.05 -0.06 1.41 -0.81 0.00 0.00 175.30 175.90 3mgt s MET 98 N 0.13 0.67 0.13 5.12 -2.45 -0.12 -0.66 119.30 122.12 3mgt s MET 98 Ca -0.01 -0.20 -0.10 0.00 -1.25 0.00 0.00 55.69 54.13 3mgt s MET 98 Cb -0.04 -0.65 0.00 0.00 1.25 0.00 0.00 34.83 35.39 3mgt s MET 98 CO -0.00 0.07 0.28 1.52 1.05 0.00 0.00 175.02 177.93 3mgt s TYR 99 N 0.22 0.17 -5.00 4.11 -0.85 -1.03 -0.93 117.35 114.05 3mgt s TYR 99 Ca -0.03 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 3mgt s TYR 99 Cb -0.07 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.29 3mgt s TYR 99 CO -0.00 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 173.78 3mgt n GLY 100 N -0.16 -0.78 3.12 5.49 0.00 -0.90 -0.82 105.19 111.14 3mgt n GLY 100 Ca -0.12 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 3mgt n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgt s ASP 102 N -1.81 4.98 0.17 0.00 1.01 -0.00 -1.01 116.67 120.01 3mgt s ASP 102 Ca -0.09 -0.08 0.10 0.00 0.71 0.00 0.00 52.55 53.19 3mgt s ASP 102 Cb -0.04 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 3mgt s ASP 102 CO -0.02 0.26 -0.21 0.68 0.21 0.00 0.00 175.17 176.09 3mgt s VAL 103 N -1.11 2.04 0.92 -1.27 -7.23 0.19 -0.54 120.40 113.40 3mgt s VAL 103 Ca 0.20 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 3mgt s VAL 103 Cb -0.11 -1.93 0.22 0.00 0.56 0.00 0.00 36.38 35.11 3mgt s VAL 103 CO 0.11 -0.19 1.07 0.61 -0.31 0.00 0.00 175.10 176.39 3mgt n GLY 104 N 0.40 -1.92 0.22 2.32 0.00 -0.47 -1.44 105.19 104.29 3mgt n GLY 104 Ca -0.14 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.41 3mgt n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgt h SER 105 N -1.86 0.00 -0.17 1.61 0.02 -1.91 0.40 113.55 111.64 3mgt h SER 105 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3mgt h SER 105 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3mgt h SER 105 CO 0.25 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.04 3mgt n ASP 106 N -2.53 2.96 -0.09 3.07 5.68 -1.26 -4.66 116.55 119.70 3mgt n ASP 106 Ca -0.01 -1.89 -0.01 0.00 -0.50 0.00 0.00 54.79 52.37 3mgt n ASP 106 Cb 0.08 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 3mgt n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mgt n TRP 107 N 1.22 0.00 -3.61 2.11 7.02 0.14 -5.04 117.44 119.28 3mgt n TRP 107 Ca 0.14 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.33 3mgt n TRP 107 Cb 0.53 -0.57 -0.04 0.00 -2.42 0.00 0.00 31.31 28.81 3mgt n TRP 107 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3mgt s ARG 108 N -1.58 3.58 0.15 -0.99 1.70 -1.26 -4.74 118.95 115.82 3mgt s ARG 108 Ca 0.00 -0.18 -0.34 0.00 -0.47 0.00 0.00 55.73 54.74 3mgt s ARG 108 Cb 0.00 -2.80 -0.16 0.00 -0.57 0.00 0.00 34.95 31.43 3mgt s ARG 108 CO 0.00 0.38 1.26 0.34 -1.08 0.00 0.00 175.30 176.20 3mgt n PHE 109 N -0.48 1.49 0.04 5.89 7.35 -1.26 -1.37 117.46 129.12 3mgt n PHE 109 Ca -0.03 0.62 -0.00 0.00 -0.76 0.00 0.00 57.45 57.28 3mgt n PHE 109 Cb 0.53 -2.33 -0.00 0.00 0.35 0.00 0.00 39.48 38.04 3mgt n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3mgt n LEU 110 N 2.25 0.89 -3.94 -2.13 7.94 0.30 -4.76 117.00 117.54 3mgt n LEU 110 Ca 0.16 0.11 -0.09 0.00 -1.11 0.00 0.00 56.01 55.08 3mgt n LEU 110 Cb 0.24 -0.27 -0.10 0.00 0.53 0.00 0.00 43.42 43.82 3mgt n LEU 110 CO 0.62 -0.58 -0.25 -0.13 -1.11 0.00 0.00 177.39 175.93 3mgt s ARG 111 N -2.01 0.51 0.12 1.96 0.52 -1.11 -4.98 118.95 113.96 3mgt s ARG 111 Ca -0.00 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 54.60 3mgt s ARG 111 Cb 0.00 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 3mgt s ARG 111 CO 0.01 -0.12 -0.22 0.20 0.02 0.00 0.00 175.30 175.19 3mgt s GLY 112 N -1.91 1.37 0.03 -3.53 0.00 -1.26 -0.82 107.32 101.19 3mgt s GLY 112 Ca -0.08 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.31 3mgt s GLY 112 CO -0.03 -1.35 -0.07 -0.19 0.00 0.00 0.00 173.10 171.46 3mgt s TYR 113 N -1.24 0.62 -0.30 1.90 1.51 0.09 -4.82 117.35 115.11 3mgt s TYR 113 Ca 0.10 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 3mgt s TYR 113 Cb -0.10 -0.37 0.17 0.00 -0.11 0.00 0.00 41.96 41.55 3mgt s TYR 113 CO 0.05 -0.07 0.88 -1.58 -1.11 0.00 0.00 175.55 173.72 3mgt s HIS 114 N -1.16 -0.92 0.13 2.71 2.46 -1.25 -2.11 115.29 115.15 3mgt s HIS 114 Ca -0.08 1.17 -0.19 0.00 0.47 0.00 0.00 55.06 56.43 3mgt s HIS 114 Cb -0.09 0.39 0.05 0.00 -0.13 0.00 0.00 32.58 32.81 3mgt s HIS 114 CO 0.00 -0.49 0.49 1.14 -2.47 0.00 0.00 174.74 173.41 3mgt s GLN 115 N 2.79 1.15 0.20 2.88 -2.07 -0.10 -0.14 119.66 124.35 3mgt s GLN 115 Ca 0.04 -0.58 0.09 0.00 -1.82 0.00 0.00 55.36 53.09 3mgt s GLN 115 Cb -0.10 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 3mgt s GLN 115 CO -0.16 -0.47 -0.17 0.71 -1.32 0.00 0.00 175.29 173.88 3mgt s TYR 116 N -3.68 1.83 0.05 9.60 1.51 0.52 -0.94 117.35 126.24 3mgt s TYR 116 Ca 0.02 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 3mgt s TYR 116 Cb 0.01 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 3mgt s TYR 116 CO -0.12 0.39 -0.07 0.00 -1.11 0.00 0.00 175.55 174.65 3mgt s ALA 117 N -2.51 0.59 -0.13 3.71 0.00 0.33 -1.77 121.76 121.98 3mgt s ALA 117 Ca 0.20 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 3mgt s ALA 117 Cb -0.03 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3mgt s ALA 117 CO 0.08 -0.09 -0.11 -0.47 0.00 0.00 0.00 175.76 175.18 3mgt s TYR 118 N -1.87 1.81 -1.48 0.00 5.04 -0.31 -1.53 117.35 119.01 3mgt s TYR 118 Ca -0.06 -0.97 -0.11 0.00 -2.44 0.00 0.00 57.07 53.48 3mgt s TYR 118 Cb -0.07 -1.40 0.07 0.00 0.35 0.00 0.00 41.96 40.91 3mgt s TYR 118 CO -0.01 -0.59 0.84 -0.25 -1.34 0.00 0.00 175.55 174.20 3mgt n ASP 119 N 4.86 -4.89 0.00 4.32 8.00 0.87 -2.70 116.55 127.01 3mgt n ASP 119 Ca -0.15 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.75 3mgt n ASP 119 Cb 0.50 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 3mgt n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgt n GLY 120 N -1.58 0.75 3.23 0.44 0.00 -1.26 -5.01 105.19 101.76 3mgt n GLY 120 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3mgt n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mgt s LYS 121 N -0.49 1.43 -0.23 1.61 -2.85 -1.10 -5.08 119.74 113.03 3mgt s LYS 121 Ca 0.00 -0.86 -0.38 0.00 -1.00 0.00 0.00 55.97 53.73 3mgt s LYS 121 Cb 0.00 -1.48 -0.18 0.00 -2.06 0.00 0.00 37.83 34.11 3mgt s LYS 121 CO 0.00 0.39 1.18 -0.25 0.10 0.00 0.00 175.35 176.77 3mgt n ASP 122 N 2.09 0.54 -0.01 0.03 8.00 -1.26 -1.17 116.55 124.77 3mgt n ASP 122 Ca -0.17 1.03 -0.01 0.00 0.71 0.00 0.00 54.79 56.36 3mgt n ASP 122 Cb 0.53 -0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3mgt n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mgt n TYR 123 N 2.45 0.00 -4.04 1.24 9.36 -0.73 -4.67 117.16 120.77 3mgt n TYR 123 Ca 0.23 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.32 3mgt n TYR 123 Cb 0.01 -0.05 -0.13 0.00 -0.63 0.00 0.00 39.34 38.54 3mgt n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3mgt s ILE 124 N -1.25 0.34 -0.04 2.97 2.07 -1.22 -1.20 121.20 122.87 3mgt s ILE 124 Ca -0.03 -0.64 -0.03 0.00 -1.41 0.00 0.00 60.65 58.54 3mgt s ILE 124 Cb 0.00 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.24 3mgt s ILE 124 CO 0.04 -0.21 0.10 0.00 -1.91 0.00 0.00 174.94 172.96 3mgt s ALA 125 N -0.83 -0.20 0.03 1.50 0.00 -0.82 -0.35 121.76 121.09 3mgt s ALA 125 Ca -0.06 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3mgt s ALA 125 Cb -0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 3mgt s ALA 125 CO -0.00 -0.08 1.31 -1.17 0.00 0.00 0.00 175.76 175.82 3mgt s LEU 126 N 0.49 4.33 0.90 0.00 2.96 0.80 -0.62 118.68 127.54 3mgt s LEU 126 Ca -0.04 2.08 -0.12 0.00 -0.22 0.00 0.00 54.13 55.83 3mgt s LEU 126 Cb -0.05 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.20 3mgt s LEU 126 CO -0.02 -0.62 1.10 -0.54 -1.32 0.00 0.00 176.35 174.95 3mgt s LYS 127 N 1.79 1.20 0.42 1.98 1.02 -0.60 -4.57 119.74 120.99 3mgt s LYS 127 Ca 0.61 0.60 0.09 0.00 0.02 0.00 0.00 55.97 57.29 3mgt s LYS 127 Cb -0.31 -1.82 0.91 0.00 -0.52 0.00 0.00 37.83 36.10 3mgt s LYS 127 CO 0.27 -2.22 2.06 1.49 -0.92 0.00 0.00 175.35 176.02 3mgt h GLU 128 N -1.53 0.42 0.00 1.68 4.81 -1.89 -0.21 114.58 117.86 3mgt h GLU 128 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3mgt h GLU 128 Cb 1.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3mgt h GLU 128 CO 0.58 0.31 0.00 -0.40 -0.73 0.00 0.00 179.01 178.76 3mgt n ASP 129 N -4.46 0.05 -3.10 1.04 5.68 -1.26 -4.78 116.55 109.71 3mgt n ASP 129 Ca 0.02 0.52 -0.23 0.00 -0.50 0.00 0.00 54.79 54.60 3mgt n ASP 129 Cb 0.09 -0.53 0.03 0.00 -1.14 0.00 0.00 41.12 39.58 3mgt n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mgt n LEU 130 N -1.56 -2.53 0.00 -2.12 4.77 -0.09 -4.79 117.00 110.68 3mgt n LEU 130 Ca 0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3mgt n LEU 130 Cb 0.09 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.34 3mgt n LEU 130 CO 0.08 0.24 0.00 0.54 -1.33 0.00 0.00 177.39 176.91 3mgt n ARG 131 N -4.03 4.70 -4.58 3.23 1.74 -1.26 -4.64 116.66 111.81 3mgt n ARG 131 Ca -0.09 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.72 3mgt n ARG 131 Cb 0.61 -0.47 -0.11 0.00 -1.02 0.00 0.00 32.46 31.47 3mgt n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mgt s SER 132 N -0.16 3.46 0.03 0.55 1.04 -1.26 -4.91 113.70 112.44 3mgt s SER 132 Ca 0.00 -1.41 0.07 0.00 0.48 0.00 0.00 55.95 55.09 3mgt s SER 132 Cb 0.00 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3mgt s SER 132 CO 0.00 -0.54 -0.20 0.26 0.98 0.00 0.00 173.24 173.74 3mgt s TRP 133 N -2.90 1.73 -0.34 5.02 0.52 -1.26 -1.56 118.94 120.15 3mgt s TRP 133 Ca 0.33 -0.36 -0.11 0.00 0.02 0.00 0.00 56.10 55.97 3mgt s TRP 133 Cb 0.09 -1.04 0.00 0.00 -1.15 0.00 0.00 33.47 31.36 3mgt s TRP 133 CO 0.16 0.06 0.20 0.99 0.02 0.00 0.00 176.95 178.38 3mgt s THR 134 N -0.74 4.81 -0.23 2.01 2.01 0.21 -4.90 115.64 118.81 3mgt s THR 134 Ca 0.07 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3mgt s THR 134 Cb -0.08 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3mgt s THR 134 CO 0.01 -0.05 0.11 0.00 -0.69 0.00 0.00 174.62 174.00 3mgt s ALA 135 N 1.63 3.41 0.08 7.40 0.00 -1.26 -1.94 121.76 131.08 3mgt s ALA 135 Ca 0.04 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3mgt s ALA 135 Cb -0.18 -2.13 -0.16 0.00 0.00 0.00 0.00 23.12 20.65 3mgt s ALA 135 CO 0.08 -0.17 1.67 0.00 0.00 0.00 0.00 175.76 177.34 3mgt h ALA 136 N 7.49 -0.26 -3.00 0.00 0.00 -1.43 -3.46 119.26 118.60 3mgt h ALA 136 Ca -0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mgt h ALA 136 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3mgt h ALA 136 CO 0.64 -0.63 0.00 -0.40 0.00 0.00 0.00 179.25 178.86 3mgt n ASP 137 N -5.19 0.00 -0.01 0.00 5.75 -1.26 -5.01 116.55 110.83 3mgt n ASP 137 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.65 3mgt n ASP 137 Cb 0.14 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.42 3mgt n ASP 137 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3mgt h MET 138 N 0.00 0.54 -0.39 0.11 2.86 -2.00 -2.40 114.93 113.65 3mgt h MET 138 Ca 0.00 -0.20 -0.13 0.00 -2.06 0.00 0.00 59.70 57.31 3mgt h MET 138 Cb 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3mgt h MET 138 CO 0.00 0.73 -0.26 0.00 1.06 0.00 0.00 176.91 178.44 3mgt h ALA 139 N 1.28 0.55 -0.14 6.32 0.00 -1.96 -3.07 119.26 122.24 3mgt h ALA 139 Ca 0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3mgt h ALA 139 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3mgt h ALA 139 CO 0.05 0.56 -0.37 0.00 0.00 0.00 0.00 179.25 179.48 3mgt h ALA 140 N 0.79 1.11 -0.08 0.00 0.00 -1.83 -2.80 119.26 116.45 3mgt h ALA 140 Ca 0.08 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3mgt h ALA 140 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mgt h ALA 140 CO 0.07 0.58 -0.33 1.96 0.00 0.00 0.00 179.25 181.53 3mgt h GLN 141 N 0.26 0.15 0.00 0.00 4.20 -1.37 0.32 115.11 118.66 3mgt h GLN 141 Ca 0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3mgt h GLN 141 Cb 0.78 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3mgt h GLN 141 CO 0.06 0.47 -0.00 1.15 -0.67 0.00 0.00 178.83 179.84 3mgt h THR 142 N 0.13 1.01 -0.76 -0.54 2.02 -1.41 -0.10 112.91 113.27 3mgt h THR 142 Ca 0.02 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3mgt h THR 142 Cb 0.65 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3mgt h THR 142 CO 0.05 0.01 0.29 0.74 0.37 0.00 0.00 175.52 176.97 3mgt h THR 143 N -0.01 1.26 -0.55 3.16 2.02 -1.41 -2.53 112.91 114.84 3mgt h THR 143 Ca -0.00 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.45 3mgt h THR 143 Cb 0.01 0.36 -0.08 0.00 -1.74 0.00 0.00 68.15 66.71 3mgt h THR 143 CO 0.00 0.33 0.10 0.50 0.37 0.00 0.00 175.52 176.82 3mgt h LYS 144 N 1.11 0.22 -0.19 6.66 3.64 0.11 -1.19 116.57 126.93 3mgt h LYS 144 Ca 0.25 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3mgt h LYS 144 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3mgt h LYS 144 CO -0.02 0.15 0.01 0.45 -2.27 0.00 0.00 179.45 177.77 3mgt h HIS 145 N 0.23 0.36 -0.74 1.91 3.86 -0.79 -1.78 115.15 118.19 3mgt h HIS 145 Ca 0.28 -0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.56 3mgt h HIS 145 Cb 0.40 -0.10 -0.13 0.00 1.06 0.00 0.00 27.41 28.64 3mgt h HIS 145 CO -0.25 0.51 -0.33 0.87 0.86 0.00 0.00 177.93 179.59 3mgt h LYS 146 N 0.11 -0.09 0.00 2.45 1.57 -1.01 -1.13 116.57 118.47 3mgt h LYS 146 Ca 0.06 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3mgt h LYS 146 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3mgt h LYS 146 CO 0.01 -0.06 -0.45 -1.49 -0.57 0.00 0.00 179.45 176.89 3mgt h TRP 147 N -0.09 0.00 -0.22 -1.35 4.06 -1.03 -2.42 115.95 114.90 3mgt h TRP 147 Ca 0.29 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.13 3mgt h TRP 147 Cb 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3mgt h TRP 147 CO -0.71 0.45 -0.29 0.93 -3.56 0.00 0.00 178.44 175.27 3mgt h GLU 148 N 0.00 0.58 0.00 0.49 5.08 -0.77 0.72 114.58 120.68 3mgt h GLU 148 Ca -0.00 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3mgt h GLU 148 Cb 1.16 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3mgt h GLU 148 CO 0.06 0.93 -0.15 0.00 -1.00 0.00 0.00 179.01 178.85 3mgt h ALA 149 N 0.64 1.06 -0.57 3.43 0.00 -1.04 -2.34 119.26 120.44 3mgt h ALA 149 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mgt h ALA 149 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3mgt h ALA 149 CO 0.07 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3mgt n ALA 150 N -2.20 2.47 -3.97 0.00 0.00 -0.93 -4.97 120.51 110.91 3mgt n ALA 150 Ca -0.00 -1.36 -0.28 0.00 0.00 0.00 0.00 53.44 51.80 3mgt n ALA 150 Cb 0.36 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 3mgt n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mgt n HIS 151 N 1.08 -1.86 -0.21 0.00 -0.00 -0.88 -4.87 115.22 108.49 3mgt n HIS 151 Ca 0.20 0.81 -0.04 0.00 -0.00 0.00 0.00 57.72 58.69 3mgt n HIS 151 Cb 0.62 -3.71 0.13 0.00 -0.00 0.00 0.00 29.99 27.03 3mgt n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3mgt h VAL 152 N -1.82 1.24 -0.86 1.59 2.07 -1.13 -2.98 116.25 114.36 3mgt h VAL 152 Ca -0.61 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 3mgt h VAL 152 Cb 1.37 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3mgt h VAL 152 CO 0.66 0.33 0.43 0.00 0.02 0.00 0.00 177.57 179.01 3mgt h ALA 153 N 1.25 1.13 -0.74 1.67 0.00 -1.90 -2.51 119.26 118.17 3mgt h ALA 153 Ca 0.22 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3mgt h ALA 153 Cb 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3mgt h ALA 153 CO -0.01 0.67 0.39 0.93 0.00 0.00 0.00 179.25 181.23 3mgt h GLU 154 N 1.22 0.65 -0.18 0.00 3.07 -1.78 0.78 114.58 118.33 3mgt h GLU 154 Ca 0.30 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.94 3mgt h GLU 154 Cb 0.10 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3mgt h GLU 154 CO -0.04 0.43 -0.58 1.96 -1.40 0.00 0.00 179.01 179.37 3mgt h GLN 155 N 0.67 0.71 -0.72 2.33 4.20 -1.56 -2.64 115.11 118.10 3mgt h GLN 155 Ca 0.36 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3mgt h GLN 155 Cb 0.35 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3mgt h GLN 155 CO -0.25 1.15 0.26 -0.07 -0.67 0.00 0.00 178.83 179.24 3mgt h LEU 156 N 0.42 1.00 -0.48 1.46 3.38 -1.08 -2.27 115.31 117.74 3mgt h LEU 156 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3mgt h LEU 156 Cb 1.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3mgt h LEU 156 CO 0.12 0.91 0.29 -0.09 0.09 0.00 0.00 178.44 179.76 3mgt h ARG 157 N 1.05 0.65 -0.38 1.13 2.43 -0.82 0.46 114.38 118.90 3mgt h ARG 157 Ca 0.24 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 3mgt h ARG 157 Cb 0.24 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3mgt h ARG 157 CO -0.02 0.47 0.15 0.00 -1.51 0.00 0.00 179.97 179.06 3mgt h ALA 158 N 1.14 0.45 -0.34 2.80 0.00 -1.11 -0.73 119.26 121.48 3mgt h ALA 158 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3mgt h ALA 158 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3mgt h ALA 158 CO -0.03 -0.24 0.12 -0.92 0.00 0.00 0.00 179.25 178.17 3mgt h TYR 159 N 0.31 0.53 -0.25 0.00 3.20 -1.13 0.22 116.97 119.85 3mgt h TYR 159 Ca 0.17 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 3mgt h TYR 159 Cb 0.13 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3mgt h TYR 159 CO -0.14 0.52 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.61 3mgt h LEU 160 N 0.39 0.46 0.00 2.82 3.38 -0.56 0.56 115.31 122.36 3mgt h LEU 160 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3mgt h LEU 160 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mgt h LEU 160 CO -0.01 0.69 -1.05 -0.62 0.09 0.00 0.00 178.44 177.54 3mgt n GLU 161 N -4.14 0.42 0.00 1.13 1.02 -0.31 -3.89 120.64 114.87 3mgt n GLU 161 Ca -0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3mgt n GLU 161 Cb 0.38 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3mgt n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mgt n GLY 162 N 1.30 0.24 0.31 0.62 0.00 0.06 -4.63 105.19 103.09 3mgt n GLY 162 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3mgt n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgt h THR 163 N 0.00 0.81 -0.32 2.61 1.03 -1.65 0.26 112.91 115.65 3mgt h THR 163 Ca 0.00 -0.24 0.06 0.00 -0.01 0.00 0.00 66.41 66.21 3mgt h THR 163 Cb 0.00 0.04 -0.05 0.00 -1.07 0.00 0.00 68.15 67.07 3mgt h THR 163 CO 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 175.52 175.64 3mgt h VAL 165 N 0.09 1.22 -0.52 0.00 2.07 -1.39 -1.88 116.25 115.85 3mgt h VAL 165 Ca 0.15 -0.71 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3mgt h VAL 165 Cb 0.21 1.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 3mgt h VAL 165 CO -0.26 0.21 -0.15 -0.33 0.02 0.00 0.00 177.57 177.07 3mgt h GLU 166 N 0.06 -0.02 0.03 1.57 5.08 0.12 -2.18 114.58 119.25 3mgt h GLU 166 Ca 0.05 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.17 3mgt h GLU 166 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3mgt h GLU 166 CO 0.00 -0.01 -1.22 -1.49 -1.00 0.00 0.00 179.01 175.30 3mgt h TRP 167 N -0.02 0.12 -0.51 4.33 4.06 -0.82 -2.55 115.95 120.56 3mgt h TRP 167 Ca 0.25 -0.09 0.10 0.00 2.06 0.00 0.00 58.89 61.21 3mgt h TRP 167 Cb 0.40 -0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.47 3mgt h TRP 167 CO -0.45 1.08 0.04 1.25 -3.56 0.00 0.00 178.44 176.81 3mgt h LEU 168 N 0.02 -0.13 -0.24 -4.49 5.85 -1.11 0.10 115.31 115.31 3mgt h LEU 168 Ca -0.10 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3mgt h LEU 168 Cb 1.87 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 43.04 3mgt h LEU 168 CO 0.14 -0.04 0.03 0.03 -0.34 0.00 0.00 178.44 178.26 3mgt h ARG 169 N 0.16 0.11 -0.83 1.25 3.08 -1.25 -1.23 114.38 115.67 3mgt h ARG 169 Ca 0.26 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 3mgt h ARG 169 Cb 0.38 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3mgt h ARG 169 CO -0.39 0.07 0.54 -0.09 -1.07 0.00 0.00 179.97 179.04 3mgt h ARG 170 N 0.11 1.07 -0.22 0.04 2.43 -0.95 -1.62 114.38 115.24 3mgt h ARG 170 Ca 0.11 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3mgt h ARG 170 Cb 0.13 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3mgt h ARG 170 CO -0.17 0.71 0.10 1.88 -1.51 0.00 0.00 179.97 180.97 3mgt h TYR 171 N 1.10 0.32 -0.90 2.20 0.05 -0.65 0.12 116.97 119.20 3mgt h TYR 171 Ca 0.31 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.22 3mgt h TYR 171 Cb -0.09 -0.10 -0.07 0.00 1.01 0.00 0.00 36.73 37.48 3mgt h TYR 171 CO -0.02 0.34 0.58 -0.07 -1.05 0.00 0.00 178.16 177.94 3mgt h LEU 172 N 0.21 0.65 0.02 3.88 3.38 -0.86 0.21 115.31 122.81 3mgt h LEU 172 Ca 0.07 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3mgt h LEU 172 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3mgt h LEU 172 CO -0.01 0.32 -0.01 -0.33 0.09 0.00 0.00 178.44 178.50 3mgt h GLU 173 N 0.68 -0.03 -0.53 1.13 5.08 -0.90 -2.05 114.58 117.96 3mgt h GLU 173 Ca 0.46 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 3mgt h GLU 173 Cb 0.77 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3mgt h GLU 173 CO -0.22 0.65 0.22 -0.91 -1.00 0.00 0.00 179.01 177.75 3mgt h ASN 174 N -0.75 0.69 -0.41 1.42 -0.26 -0.27 -2.91 115.58 113.10 3mgt h ASN 174 Ca -0.00 -0.08 -0.18 0.00 -0.56 0.00 0.00 56.30 55.48 3mgt h ASN 174 Cb 0.69 -0.18 -0.11 0.00 -1.06 0.00 0.00 38.32 37.66 3mgt h ASN 174 CO 0.00 0.62 0.02 0.61 -1.06 0.00 0.00 177.43 177.63 3mgt n GLY 175 N -1.09 4.66 0.43 2.83 0.00 0.71 -4.76 105.19 107.97 3mgt n GLY 175 Ca 0.04 -1.17 0.24 0.00 0.00 0.00 0.00 46.02 45.13 3mgt n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3mgt h LYS 176 N 1.19 0.27 -0.05 1.61 2.10 -1.16 0.57 116.57 121.11 3mgt h LYS 176 Ca 0.22 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.83 3mgt h LYS 176 Cb 1.75 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 33.02 3mgt h LYS 176 CO 0.44 0.18 -0.07 1.49 -2.00 0.00 0.00 179.45 179.48 3mgt h GLU 177 N 0.28 0.07 0.00 0.07 4.81 -1.86 -1.13 114.58 116.81 3mgt h GLU 177 Ca 0.52 -0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 59.27 3mgt h GLU 177 Cb 1.53 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.82 3mgt h GLU 177 CO -0.17 0.15 -2.55 2.41 -0.73 0.00 0.00 179.01 178.12 3mgt n THR 178 N -4.41 1.53 0.18 0.32 -1.04 0.16 -4.38 114.28 106.63 3mgt n THR 178 Ca -0.02 -0.40 0.11 0.00 -2.04 0.00 0.00 64.05 61.69 3mgt n THR 178 Cb 0.17 -1.85 0.11 0.00 -1.82 0.00 0.00 70.33 66.95 3mgt n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3mgt h LEU 179 N -0.93 0.00 -3.38 -4.42 3.38 -0.37 -3.27 115.31 106.33 3mgt h LEU 179 Ca -0.70 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 3mgt h LEU 179 Cb 1.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3mgt h LEU 179 CO -0.40 0.07 0.01 0.00 0.09 0.00 0.00 178.44 178.20 3mgt n GLN 180 N -3.01 3.56 -3.56 1.13 6.02 -0.43 -4.98 117.38 116.12 3mgt n GLN 180 Ca 0.02 -2.96 -0.29 0.00 -0.01 0.00 0.00 57.00 53.76 3mgt n GLN 180 Cb 0.57 -1.99 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 3mgt n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3mgt s ARG 181 N -2.83 3.59 -0.22 -1.09 1.70 -1.23 -4.97 118.95 113.89 3mgt s ARG 181 Ca 0.47 -0.14 0.02 0.00 -0.47 0.00 0.00 55.73 55.60 3mgt s ARG 181 Cb 0.37 -2.77 0.05 0.00 -0.57 0.00 0.00 34.95 32.03 3mgt s ARG 181 CO 0.11 0.35 -0.12 0.99 -1.08 0.00 0.00 175.30 175.54 3mgt s THR 182 N -1.89 1.94 -0.55 4.99 2.01 -1.26 -4.69 115.64 116.19 3mgt s THR 182 Ca 0.41 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 3mgt s THR 182 Cb -0.11 -1.98 0.11 0.00 0.01 0.00 0.00 72.50 70.53 3mgt s THR 182 CO 0.28 0.15 0.57 -1.81 -0.69 0.00 0.00 174.62 173.12 3mgt s ASP 183 N 1.25 6.18 0.33 3.53 1.11 -0.59 -4.90 116.67 123.60 3mgt s ASP 183 Ca -0.03 -1.52 -0.29 0.00 0.18 0.00 0.00 52.55 50.89 3mgt s ASP 183 Cb -0.17 -2.25 -0.11 0.00 1.07 0.00 0.00 42.92 41.46 3mgt s ASP 183 CO -0.08 -0.93 1.44 0.00 1.18 0.00 0.00 175.17 176.78 3mgt s ALA 184 N 2.09 3.58 0.42 5.23 0.00 -1.26 -1.09 121.76 130.74 3mgt s ALA 184 Ca 0.07 1.44 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 3mgt s ALA 184 Cb -0.26 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.20 3mgt s ALA 184 CO 0.05 -0.87 1.44 -1.25 0.00 0.00 0.00 175.76 175.13 3mgt s PRO 185 N -1.53 3.87 -0.21 0.00 0.04 -1.26 -4.62 135.00 131.29 3mgt s PRO 185 Ca 0.54 2.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.84 3mgt s PRO 185 Cb -0.44 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 3mgt s PRO 185 CO 0.55 -0.68 0.56 0.15 0.04 0.00 0.00 177.00 177.62 3mgt s LYS 186 N -2.29 4.17 0.09 4.56 3.01 0.35 -4.81 119.74 124.83 3mgt s LYS 186 Ca 0.57 0.48 0.07 0.00 -1.01 0.00 0.00 55.97 56.09 3mgt s LYS 186 Cb -0.44 -3.59 -0.04 0.00 -1.01 0.00 0.00 37.83 32.75 3mgt s LYS 186 CO 0.58 -0.23 -0.12 0.95 0.51 0.00 0.00 175.35 177.05 3mgt s THR 187 N 1.89 3.26 0.29 2.17 -4.23 -1.26 -0.39 115.64 117.37 3mgt s THR 187 Ca 0.25 -1.26 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 3mgt s THR 187 Cb -0.16 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3mgt s THR 187 CO 0.10 0.15 0.74 -1.38 -0.54 0.00 0.00 174.62 173.68 3mgt s HIS 188 N -1.17 -0.14 0.03 3.99 -3.43 -1.08 -5.00 115.29 108.49 3mgt s HIS 188 Ca 0.20 -0.34 0.06 0.00 -0.80 0.00 0.00 55.06 54.18 3mgt s HIS 188 Cb -0.11 0.73 -0.02 0.00 -1.43 0.00 0.00 32.58 31.75 3mgt s HIS 188 CO 0.12 -1.27 -0.17 1.41 -2.00 0.00 0.00 174.74 172.82 3mgt s MET 189 N -3.66 1.22 0.15 -0.38 1.75 -1.26 0.13 119.30 117.25 3mgt s MET 189 Ca 0.12 -0.80 0.11 0.00 -1.25 0.00 0.00 55.69 53.87 3mgt s MET 189 Cb -0.06 -1.26 -0.04 0.00 2.84 0.00 0.00 34.83 36.31 3mgt s MET 189 CO 0.07 0.33 -0.26 0.95 -0.65 0.00 0.00 175.02 175.46 3mgt s THR 190 N -0.72 2.27 -0.09 10.11 -4.23 0.03 -4.97 115.64 118.02 3mgt s THR 190 Ca 0.05 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3mgt s THR 190 Cb -0.08 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.76 3mgt s THR 190 CO 0.01 0.01 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.77 3mgt s HIS 191 N -1.28 1.15 -0.02 3.99 2.46 -1.26 -1.39 115.29 118.95 3mgt s HIS 191 Ca 0.16 -0.50 0.01 0.00 0.47 0.00 0.00 55.06 55.20 3mgt s HIS 191 Cb -0.09 -1.04 0.01 0.00 -0.13 0.00 0.00 32.58 31.33 3mgt s HIS 191 CO 0.07 -0.42 -0.01 -1.01 -2.47 0.00 0.00 174.74 170.90 3mgt s HIS 192 N 1.73 0.29 -0.33 3.88 3.76 -0.80 -4.98 115.29 118.83 3mgt s HIS 192 Ca 0.03 -0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.63 3mgt s HIS 192 Cb -0.13 -0.30 0.02 0.00 1.11 0.00 0.00 32.58 33.28 3mgt s HIS 192 CO -0.06 -0.07 1.11 0.00 -0.85 0.00 0.00 174.74 174.86 3mgt s ALA 193 N 0.54 3.45 0.21 -1.40 0.00 -1.26 0.47 121.76 123.77 3mgt s ALA 193 Ca -0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 3mgt s ALA 193 Cb -0.08 -3.71 0.16 0.00 0.00 0.00 0.00 23.12 19.49 3mgt s ALA 193 CO -0.01 -1.60 1.82 0.28 0.00 0.00 0.00 175.76 176.25 3mgt h VAL 194 N 5.81 1.24 -0.65 0.00 2.07 -1.70 -3.48 116.25 119.55 3mgt h VAL 194 Ca -0.21 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3mgt h VAL 194 Cb 1.06 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3mgt h VAL 194 CO 1.04 0.28 0.00 -1.54 0.02 0.00 0.00 177.57 177.37 3mgt n SER 195 N -4.39 0.00 -0.21 0.57 3.41 -1.16 -5.00 113.62 106.85 3mgt n SER 195 Ca 0.07 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.83 3mgt n SER 195 Cb 0.11 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.74 3mgt n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mgt n ASP 196 N 0.00 0.70 0.00 4.04 5.75 -1.26 -3.89 116.55 121.88 3mgt n ASP 196 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 3mgt n ASP 196 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3mgt n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mgt n HIS 197 N -0.57 0.00 -3.70 2.11 1.44 -1.26 -4.95 115.22 108.28 3mgt n HIS 197 Ca 0.19 -0.15 -0.11 0.00 -2.01 0.00 0.00 57.72 55.64 3mgt n HIS 197 Cb 0.26 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 3mgt n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3mgt s GLU 198 N -0.30 0.94 -0.03 -1.40 2.02 -1.25 -2.69 118.70 116.00 3mgt s GLU 198 Ca 0.00 -0.61 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 3mgt s GLU 198 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 34.13 34.66 3mgt s GLU 198 CO 0.00 -0.34 0.23 0.00 0.02 0.00 0.00 175.26 175.17 3mgt s ALA 199 N -3.21 -0.56 -0.17 5.21 0.00 -0.87 -1.90 121.76 120.27 3mgt s ALA 199 Ca -0.01 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 3mgt s ALA 199 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3mgt s ALA 199 CO -0.08 -0.20 0.61 0.99 0.00 0.00 0.00 175.76 177.09 3mgt s THR 200 N -0.95 5.05 -0.31 0.00 2.01 0.18 -1.27 115.64 120.34 3mgt s THR 200 Ca -0.10 1.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.98 3mgt s THR 200 Cb -0.05 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 3mgt s THR 200 CO 0.02 0.17 0.15 -0.22 -0.69 0.00 0.00 174.62 174.05 3mgt s LEU 201 N 1.53 4.13 -0.19 4.42 2.96 -0.43 -1.91 118.68 129.20 3mgt s LEU 201 Ca 0.29 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3mgt s LEU 201 Cb -0.16 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3mgt s LEU 201 CO 0.11 -0.20 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.28 3mgt s ARG 202 N 1.61 3.44 -0.23 1.98 3.52 -0.49 -1.24 118.95 127.54 3mgt s ARG 202 Ca 0.04 -0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 54.91 3mgt s ARG 202 Cb -0.17 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.27 3mgt s ARG 202 CO 0.06 -0.01 0.22 0.00 -0.81 0.00 0.00 175.30 174.76 3mgt s TRP 204 N 1.16 3.15 -0.15 0.00 0.52 0.12 -1.61 118.94 122.13 3mgt s TRP 204 Ca 0.10 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.37 3mgt s TRP 204 Cb -0.14 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 3mgt s TRP 204 CO 0.06 0.40 -0.17 0.00 0.02 0.00 0.00 176.95 177.25 3mgt s ALA 205 N -0.68 2.02 0.12 0.98 0.00 -0.09 -2.64 121.76 121.48 3mgt s ALA 205 Ca 0.11 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.14 3mgt s ALA 205 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3mgt s ALA 205 CO 0.02 -0.25 -0.15 -0.51 0.00 0.00 0.00 175.76 174.87 3mgt s LEU 206 N 1.22 2.39 -1.42 0.00 1.43 0.47 -2.00 118.68 120.77 3mgt s LEU 206 Ca 0.01 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.23 3mgt s LEU 206 Cb -0.14 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.52 3mgt s LEU 206 CO -0.08 -0.11 0.90 -0.24 0.23 0.00 0.00 176.35 177.05 3mgt n SER 207 N 0.59 -3.54 -4.74 2.29 2.88 -0.98 -0.49 113.62 109.63 3mgt n SER 207 Ca -0.16 -0.76 -0.22 0.00 -1.33 0.00 0.00 58.87 56.39 3mgt n SER 207 Cb 0.57 -4.11 -0.06 0.00 -0.75 0.00 0.00 64.21 59.86 3mgt n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mgt s PHE 208 N -3.44 2.92 -0.27 0.66 -0.71 -1.13 -4.66 117.98 111.35 3mgt s PHE 208 Ca 0.39 -0.16 -0.20 0.00 -1.04 0.00 0.00 56.93 55.92 3mgt s PHE 208 Cb -0.19 -1.31 0.07 0.00 -1.21 0.00 0.00 43.02 40.38 3mgt s PHE 208 CO 0.81 0.57 0.69 -0.47 -1.34 0.00 0.00 175.22 175.48 3mgt s TYR 209 N -2.22 -0.90 1.06 3.49 5.04 -0.25 -1.13 117.35 122.45 3mgt s TYR 209 Ca 0.32 1.98 -0.18 0.00 -2.44 0.00 0.00 57.07 56.75 3mgt s TYR 209 Cb -0.07 0.42 0.26 0.00 0.35 0.00 0.00 41.96 42.92 3mgt s TYR 209 CO 0.23 -0.44 1.07 -2.30 -1.34 0.00 0.00 175.55 172.77 3mgt n PRO 210 N 3.43 -2.43 0.03 4.97 -0.02 -1.26 -1.54 135.00 138.18 3mgt n PRO 210 Ca -0.17 -1.70 -0.00 0.00 -2.02 0.00 0.00 63.50 59.61 3mgt n PRO 210 Cb 0.57 -1.43 0.30 0.00 -0.02 0.00 0.00 33.50 32.92 3mgt n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mgt h ALA 211 N -2.41 1.35 -1.75 3.55 0.00 -1.95 -3.44 119.26 114.60 3mgt h ALA 211 Ca -0.38 -0.23 -0.68 0.00 0.00 0.00 0.00 54.91 53.61 3mgt h ALA 211 Cb 1.14 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.82 3mgt h ALA 211 CO 0.26 0.44 0.87 -1.91 0.00 0.00 0.00 179.25 178.91 3mgt n GLU 212 N -4.24 1.49 -3.51 0.00 4.07 -1.26 -4.95 120.64 112.23 3mgt n GLU 212 Ca 0.01 0.55 -0.17 0.00 -0.06 0.00 0.00 57.16 57.48 3mgt n GLU 212 Cb 0.28 -2.27 -0.05 0.00 -0.06 0.00 0.00 31.44 29.34 3mgt n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3mgt s ILE 213 N 2.93 0.00 -0.20 6.31 2.07 -1.26 -4.66 121.20 126.39 3mgt s ILE 213 Ca 0.93 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 60.16 3mgt s ILE 213 Cb -0.92 -0.99 0.04 0.00 0.13 0.00 0.00 42.46 40.72 3mgt s ILE 213 CO 0.57 -0.01 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.56 3mgt s THR 214 N -1.62 1.79 -0.20 4.00 2.01 -0.47 -5.00 115.64 116.15 3mgt s THR 214 Ca -0.09 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.89 3mgt s THR 214 Cb -0.00 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.76 3mgt s THR 214 CO 0.06 0.26 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.91 3mgt s LEU 215 N 1.35 2.36 -0.01 4.42 2.96 -1.26 -1.07 118.68 127.43 3mgt s LEU 215 Ca -0.00 -0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 52.97 3mgt s LEU 215 Cb -0.16 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.23 3mgt s LEU 215 CO -0.09 -0.12 0.13 0.28 -1.32 0.00 0.00 176.35 175.23 3mgt s THR 216 N 1.35 0.06 -0.08 3.68 -1.32 -0.47 -4.89 115.64 113.97 3mgt s THR 216 Ca -0.01 -0.52 -0.01 0.00 -1.21 0.00 0.00 61.69 59.94 3mgt s THR 216 Cb -0.16 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 3mgt s THR 216 CO -0.09 -0.29 -0.03 0.26 -2.21 0.00 0.00 174.62 172.26 3mgt s TRP 217 N -1.00 3.05 0.07 9.09 0.52 -1.26 0.20 118.94 129.61 3mgt s TRP 217 Ca -0.11 0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.17 3mgt s TRP 217 Cb -0.06 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3mgt s TRP 217 CO 0.01 0.38 -0.20 -0.65 0.02 0.00 0.00 176.95 176.51 3mgt s GLN 218 N -0.77 1.18 -0.19 4.98 -0.21 -0.04 -1.73 119.66 122.89 3mgt s GLN 218 Ca 0.12 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3mgt s GLN 218 Cb -0.11 -1.35 0.02 0.00 1.00 0.00 0.00 33.01 32.56 3mgt s GLN 218 CO 0.02 0.33 -0.17 0.50 -2.12 0.00 0.00 175.29 173.84 3mgt s ARG 219 N -1.55 3.02 -1.24 2.91 3.52 -0.01 -0.83 118.95 124.77 3mgt s ARG 219 Ca 0.06 -0.82 -0.08 0.00 -0.13 0.00 0.00 55.73 54.76 3mgt s ARG 219 Cb -0.09 -2.65 0.06 0.00 -1.56 0.00 0.00 34.95 30.70 3mgt s ARG 219 CO 0.03 -0.22 0.41 -0.25 -0.81 0.00 0.00 175.30 174.46 3mgt n ASP 220 N 4.64 -3.82 0.00 -2.12 9.92 -0.25 -1.08 116.55 123.84 3mgt n ASP 220 Ca -0.20 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.78 3mgt n ASP 220 Cb 0.50 -3.17 0.00 0.00 -0.64 0.00 0.00 41.12 37.81 3mgt n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mgt n GLY 221 N -1.12 0.69 3.62 0.44 0.00 -1.26 -5.04 105.19 102.52 3mgt n GLY 221 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3mgt n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mgt s GLU 222 N -0.18 3.13 0.31 1.61 -1.05 -0.24 -5.03 118.70 117.25 3mgt s GLU 222 Ca 0.00 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.07 3mgt s GLU 222 Cb 0.00 -2.80 -0.11 0.00 -0.44 0.00 0.00 34.13 30.78 3mgt s GLU 222 CO 0.00 0.58 1.47 0.34 0.95 0.00 0.00 175.26 178.60 3mgt s ASP 223 N -0.55 6.52 -0.53 0.83 2.15 -1.26 -0.82 116.67 123.01 3mgt s ASP 223 Ca 0.09 2.84 0.01 0.00 0.43 0.00 0.00 52.55 55.92 3mgt s ASP 223 Cb -0.12 -2.64 0.45 0.00 -0.30 0.00 0.00 42.92 40.31 3mgt s ASP 223 CO 0.02 -0.77 1.72 0.00 -0.17 0.00 0.00 175.17 175.97 3mgt n GLN 224 N 1.54 3.04 -0.11 4.34 1.13 -0.70 -4.81 117.38 121.81 3mgt n GLN 224 Ca 0.04 -3.62 -0.05 0.00 -1.94 0.00 0.00 57.00 51.43 3mgt n GLN 224 Cb 0.40 -2.29 0.01 0.00 0.11 0.00 0.00 30.24 28.47 3mgt n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3mgt h THR 225 N 1.45 0.54 0.00 5.09 2.02 -1.92 0.47 112.91 120.57 3mgt h THR 225 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 3mgt h THR 225 Cb 1.08 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3mgt h THR 225 CO 1.28 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.17 3mgt n GLN 226 N -5.33 0.21 -1.09 6.66 3.00 -1.26 -3.33 117.38 116.25 3mgt n GLN 226 Ca 0.02 0.41 0.01 0.00 -0.01 0.00 0.00 57.00 57.43 3mgt n GLN 226 Cb 0.24 -1.88 0.14 0.00 0.00 0.00 0.00 30.24 28.74 3mgt n GLN 226 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3mgt n ASP 227 N -2.27 2.01 -4.25 1.08 9.92 -0.00 -5.00 116.55 118.03 3mgt n ASP 227 Ca 0.02 -3.41 -0.32 0.00 -0.53 0.00 0.00 54.79 50.55 3mgt n ASP 227 Cb 0.25 -0.45 -0.16 0.00 -0.64 0.00 0.00 41.12 40.11 3mgt n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3mgt s THR 228 N -2.80 2.20 -0.40 -3.53 2.01 -0.29 -4.58 115.64 108.26 3mgt s THR 228 Ca 0.38 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 3mgt s THR 228 Cb 0.38 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 71.06 3mgt s THR 228 CO -0.07 0.56 0.66 -0.70 -0.69 0.00 0.00 174.62 174.38 3mgt s GLU 229 N 0.20 3.51 -0.16 4.92 2.12 0.51 -4.93 118.70 124.87 3mgt s GLU 229 Ca -0.14 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3mgt s GLU 229 Cb -0.17 -3.87 0.01 0.00 0.26 0.00 0.00 34.13 30.36 3mgt s GLU 229 CO 0.07 -0.88 -0.19 -1.17 -0.54 0.00 0.00 175.26 172.56 3mgt s LEU 230 N 2.83 2.25 0.38 2.70 2.96 -1.26 -0.31 118.68 128.22 3mgt s LEU 230 Ca 0.25 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3mgt s LEU 230 Cb -0.14 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 3mgt s LEU 230 CO 0.17 0.04 0.67 0.68 -1.32 0.00 0.00 176.35 176.60 3mgt s VAL 231 N 1.05 4.94 0.23 1.68 -7.23 -1.09 -5.04 120.40 114.93 3mgt s VAL 231 Ca -0.01 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 3mgt s VAL 231 Cb -0.14 -3.79 -0.10 0.00 0.56 0.00 0.00 36.38 32.91 3mgt s VAL 231 CO -0.06 -0.55 1.49 -0.70 -0.31 0.00 0.00 175.10 174.97 3mgt s GLU 232 N -4.07 4.24 0.19 4.82 2.12 -1.26 -4.65 118.70 120.08 3mgt s GLU 232 Ca 0.46 2.34 -0.33 0.00 0.36 0.00 0.00 54.97 57.81 3mgt s GLU 232 Cb -0.10 -3.12 -0.15 0.00 0.26 0.00 0.00 34.13 31.02 3mgt s GLU 232 CO 0.35 -0.50 1.34 2.41 -0.54 0.00 0.00 175.26 178.33 3mgt n THR 233 N 2.82 0.68 -4.15 -1.70 -1.04 -1.26 -4.85 114.28 104.78 3mgt n THR 233 Ca 0.09 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 3mgt n THR 233 Cb 0.39 -1.18 -0.13 0.00 -1.82 0.00 0.00 70.33 67.59 3mgt n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mgt s ARG 234 N -0.10 0.58 0.13 -2.82 1.70 -0.07 -4.94 118.95 113.42 3mgt s ARG 234 Ca 0.73 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 55.11 3mgt s ARG 234 Cb -0.76 -0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 33.09 3mgt s ARG 234 CO 0.48 0.11 1.15 -1.25 -1.08 0.00 0.00 175.30 174.71 3mgt s PRO 235 N -1.04 4.51 0.33 3.89 0.04 -1.26 0.37 135.00 141.85 3mgt s PRO 235 Ca -0.04 1.76 0.17 0.00 0.04 0.00 0.00 61.00 62.93 3mgt s PRO 235 Cb -0.07 -3.30 0.43 0.00 0.04 0.00 0.00 34.50 31.60 3mgt s PRO 235 CO 0.00 -0.09 1.61 0.00 0.04 0.00 0.00 177.00 178.57 3mgt h ALA 236 N 5.86 0.85 0.00 8.56 0.00 -1.02 -3.46 119.26 130.04 3mgt h ALA 236 Ca -0.43 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3mgt h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3mgt h ALA 236 CO 0.76 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.96 3mgt n GLY 237 N 0.65 1.33 1.14 0.00 0.00 -1.26 -4.91 105.19 102.15 3mgt n GLY 237 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3mgt n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgt n ASP 238 N 0.00 4.24 0.00 1.61 5.75 -1.26 -4.91 116.55 121.97 3mgt n ASP 238 Ca 0.00 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.99 3mgt n ASP 238 Cb 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 3mgt n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mgt n GLY 239 N 0.07 0.74 3.76 6.12 0.00 -1.26 -5.06 105.19 109.56 3mgt n GLY 239 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 3mgt n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mgt s THR 240 N -2.32 2.03 0.32 2.61 -4.23 -1.26 -4.89 115.64 107.90 3mgt s THR 240 Ca 0.00 -1.72 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 3mgt s THR 240 Cb 0.00 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 3mgt s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 3mgt s PHE 241 N -2.67 2.14 0.07 3.99 0.40 -0.29 -0.39 117.98 121.24 3mgt s PHE 241 Ca 0.35 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3mgt s PHE 241 Cb 0.03 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 3mgt s PHE 241 CO 0.19 0.36 -0.06 -0.65 0.70 0.00 0.00 175.22 175.76 3mgt s GLN 242 N -3.71 0.69 -0.15 0.44 -0.21 0.16 -2.32 119.66 114.55 3mgt s GLN 242 Ca 0.32 -1.12 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 3mgt s GLN 242 Cb 0.05 -0.16 0.11 0.00 1.00 0.00 0.00 33.01 34.00 3mgt s GLN 242 CO 0.14 -0.01 0.89 0.21 -2.12 0.00 0.00 175.29 174.40 3mgt s LYS 243 N -3.07 0.74 0.03 2.91 2.20 -0.85 -0.89 119.74 120.80 3mgt s LYS 243 Ca 0.03 0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.91 3mgt s LYS 243 Cb 0.00 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 3mgt s LYS 243 CO -0.04 -0.20 0.07 1.67 -0.36 0.00 0.00 175.35 176.49 3mgt s TRP 244 N -0.81 0.19 -0.04 4.03 1.48 -1.26 -0.91 118.94 121.62 3mgt s TRP 244 Ca -0.04 -0.45 0.05 0.00 -1.06 0.00 0.00 56.10 54.60 3mgt s TRP 244 Cb -0.01 -0.14 -0.01 0.00 -1.16 0.00 0.00 33.47 32.15 3mgt s TRP 244 CO 0.03 -0.31 -0.18 0.00 -4.06 0.00 0.00 176.95 172.42 3mgt s ALA 245 N -2.16 1.61 0.10 2.67 0.00 -0.63 -2.68 121.76 120.66 3mgt s ALA 245 Ca -0.09 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.19 3mgt s ALA 245 Cb -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3mgt s ALA 245 CO -0.03 0.32 -0.19 0.00 0.00 0.00 0.00 175.76 175.86 3mgt s ALA 246 N -0.08 1.62 0.05 0.00 0.00 0.57 -0.10 121.76 123.82 3mgt s ALA 246 Ca -0.01 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.78 3mgt s ALA 246 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3mgt s ALA 246 CO 0.02 0.29 -0.07 0.14 0.00 0.00 0.00 175.76 176.14 3mgt s VAL 247 N -1.25 0.52 -0.30 0.00 -7.23 -0.37 -0.36 120.40 111.41 3mgt s VAL 247 Ca 0.04 -1.32 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 3mgt s VAL 247 Cb -0.10 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 3mgt s VAL 247 CO 0.04 -0.55 0.44 -0.69 -0.31 0.00 0.00 175.10 174.03 3mgt s VAL 248 N -2.09 5.11 -0.18 1.32 1.01 -1.26 -1.31 120.40 122.99 3mgt s VAL 248 Ca -0.04 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 3mgt s VAL 248 Cb -0.05 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3mgt s VAL 248 CO -0.02 0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.32 3mgt s VAL 249 N 2.21 3.20 0.43 2.92 1.01 -0.40 -4.97 120.40 124.80 3mgt s VAL 249 Ca 0.17 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3mgt s VAL 249 Cb -0.16 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 3mgt s VAL 249 CO 0.11 0.47 1.24 -2.84 0.00 0.00 0.00 175.10 174.08 3mgt s PRO 250 N 1.04 3.85 -0.13 2.72 0.02 -1.26 -2.05 135.00 139.18 3mgt s PRO 250 Ca -0.00 1.99 -0.41 0.00 0.02 0.00 0.00 61.00 62.60 3mgt s PRO 250 Cb -0.15 -2.60 -0.19 0.00 0.02 0.00 0.00 34.50 31.58 3mgt s PRO 250 CO -0.01 -0.54 1.18 0.43 -0.33 0.00 0.00 177.00 177.73 3mgt n SER 251 N -0.16 0.31 0.00 2.53 7.64 -1.09 -1.71 113.62 121.14 3mgt n SER 251 Ca 0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3mgt n SER 251 Cb 0.46 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3mgt n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgt n GLY 252 N 2.12 0.61 0.54 0.23 0.00 -1.26 -4.91 105.19 102.53 3mgt n GLY 252 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 3mgt n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mgt n GLN 253 N -2.76 2.72 -0.23 1.61 6.02 -0.69 -4.71 117.38 119.34 3mgt n GLN 253 Ca 0.00 -1.92 0.03 0.00 -0.01 0.00 0.00 57.00 55.11 3mgt n GLN 253 Cb 0.00 -1.23 0.15 0.00 1.02 0.00 0.00 30.24 30.18 3mgt n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mgt h GLU 254 N 1.76 0.25 0.00 -1.09 3.07 -1.91 0.13 114.58 116.79 3mgt h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3mgt h GLU 254 Cb 0.68 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3mgt h GLU 254 CO 0.00 0.17 0.00 -0.56 -1.40 0.00 0.00 179.01 177.22 3mgt h GLN 255 N 0.26 0.00 0.00 2.33 -0.00 -1.84 -1.42 115.11 114.43 3mgt h GLN 255 Ca 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.95 3mgt h GLN 255 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.06 3mgt h GLN 255 CO -0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 178.83 178.06 3mgt h ARG 256 N 0.00 0.00 -5.83 0.06 3.08 -1.08 -3.46 114.38 107.14 3mgt h ARG 256 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3mgt h ARG 256 Cb 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 3mgt h ARG 256 CO 0.00 0.30 -0.39 0.71 -1.07 0.00 0.00 179.97 179.53 3mgt s TYR 257 N -3.40 3.61 -0.02 3.04 1.51 -0.54 -1.09 117.35 120.47 3mgt s TYR 257 Ca 0.02 0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 3mgt s TYR 257 Cb 0.09 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 3mgt s TYR 257 CO 0.68 0.66 -0.09 0.95 -1.11 0.00 0.00 175.55 176.64 3mgt s THR 258 N -1.17 0.74 -0.14 -0.71 -4.23 -0.01 -4.42 115.64 105.70 3mgt s THR 258 Ca 0.23 -0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.27 3mgt s THR 258 Cb -0.13 -0.64 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 3mgt s THR 258 CO 0.11 0.22 0.19 0.00 -0.54 0.00 0.00 174.62 174.61 3mgt s HIS 260 N -0.26 2.61 -0.16 0.00 3.76 0.13 0.48 115.29 121.84 3mgt s HIS 260 Ca 0.14 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 3mgt s HIS 260 Cb -0.12 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.84 3mgt s HIS 260 CO 0.03 -0.47 -0.13 0.08 -0.85 0.00 0.00 174.74 173.40 3mgt s VAL 261 N 0.50 1.58 -0.13 -0.90 1.01 -0.64 -1.36 120.40 120.46 3mgt s VAL 261 Ca -0.15 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3mgt s VAL 261 Cb -0.17 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 3mgt s VAL 261 CO 0.05 0.36 -0.18 -1.10 0.00 0.00 0.00 175.10 174.23 3mgt s GLN 262 N 1.46 3.19 -0.12 2.72 -0.21 -0.23 -0.94 119.66 125.54 3mgt s GLN 262 Ca 0.03 -0.78 -0.26 0.00 0.02 0.00 0.00 55.36 54.37 3mgt s GLN 262 Cb -0.14 -2.50 0.06 0.00 1.00 0.00 0.00 33.01 31.43 3mgt s GLN 262 CO -0.10 0.13 0.63 -1.58 -2.12 0.00 0.00 175.29 172.25 3mgt s HIS 263 N 0.52 -0.63 0.45 0.91 2.46 -1.26 -1.36 115.29 116.37 3mgt s HIS 263 Ca -0.12 1.29 0.26 0.00 0.47 0.00 0.00 55.06 56.96 3mgt s HIS 263 Cb -0.16 0.31 1.29 0.00 -0.13 0.00 0.00 32.58 33.89 3mgt s HIS 263 CO 0.05 -0.48 1.77 1.49 -2.47 0.00 0.00 174.74 175.09 3mgt h GLU 264 N 3.92 0.22 -0.00 2.88 4.81 -1.93 -0.59 114.58 123.89 3mgt h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3mgt h GLU 264 Cb 1.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3mgt h GLU 264 CO 0.27 0.15 -0.15 0.41 -0.73 0.00 0.00 179.01 178.96 3mgt n GLY 265 N -1.58 -1.25 3.69 1.92 0.00 -1.26 -4.80 105.19 101.91 3mgt n GLY 265 Ca 0.26 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3mgt n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgt s LEU 266 N -2.80 4.22 0.19 0.99 1.43 -0.23 -4.55 118.68 117.92 3mgt s LEU 266 Ca 0.19 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 53.94 3mgt s LEU 266 Cb 0.19 -2.73 0.20 0.00 0.03 0.00 0.00 46.19 43.87 3mgt s LEU 266 CO 0.55 -0.09 1.71 -0.65 0.23 0.00 0.00 176.35 178.10 3mgt h PRO 267 N 7.06 0.22 -4.25 1.29 0.11 -1.87 -3.43 132.00 131.14 3mgt h PRO 267 Ca -0.37 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.46 3mgt h PRO 267 Cb 1.17 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 31.98 3mgt h PRO 267 CO 0.75 0.15 -0.73 0.15 -0.21 0.00 0.00 178.00 178.11 3mgt s LYS 268 N -6.14 0.38 0.31 1.05 1.02 -1.26 -5.13 119.74 109.96 3mgt s LYS 268 Ca -0.13 -0.44 -0.27 0.00 0.02 0.00 0.00 55.97 55.15 3mgt s LYS 268 Cb 0.16 -0.21 -0.14 0.00 -0.52 0.00 0.00 37.83 37.12 3mgt s LYS 268 CO 0.73 0.04 0.85 -2.30 -0.92 0.00 0.00 175.35 173.75 3mgt n PRO 269 N 2.19 0.99 -3.39 -1.68 -0.02 -1.26 -4.95 135.00 126.89 3mgt n PRO 269 Ca -0.18 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.30 3mgt n PRO 269 Cb 0.57 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 3mgt n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mgt s LEU 270 N 1.01 4.31 -0.25 2.45 1.43 -0.11 -4.91 118.68 122.61 3mgt s LEU 270 Ca 0.61 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 3mgt s LEU 270 Cb -0.71 -3.30 0.06 0.00 0.03 0.00 0.00 46.19 42.27 3mgt s LEU 270 CO 0.59 0.08 -0.06 -0.89 0.23 0.00 0.00 176.35 176.30 3mgt s THR 271 N -1.51 1.76 -0.04 5.49 2.01 -1.26 -1.62 115.64 120.47 3mgt s THR 271 Ca 0.39 -1.42 0.00 0.00 0.31 0.00 0.00 61.69 60.97 3mgt s THR 271 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3mgt s THR 271 CO 0.19 -0.12 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.23 3mgt s LEU 272 N 1.28 3.44 -0.05 4.42 1.43 0.18 -4.93 118.68 124.44 3mgt s LEU 272 Ca -0.06 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3mgt s LEU 272 Cb -0.19 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.17 3mgt s LEU 272 CO -0.06 0.33 0.13 -0.60 0.23 0.00 0.00 176.35 176.38 3mgt s ARG 273 N -1.18 0.14 -0.10 1.70 3.52 -1.26 0.47 118.95 122.23 3mgt s ARG 273 Ca 0.16 0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 55.67 3mgt s ARG 273 Cb -0.11 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 3mgt s ARG 273 CO 0.06 -0.04 1.38 -0.46 -0.81 0.00 0.00 175.30 175.43 3mgt s TRP 274 N 0.22 2.65 0.00 5.12 -0.11 -1.26 -5.06 118.94 120.48 3mgt s TRP 274 Ca -0.01 0.78 0.00 0.00 1.22 0.00 0.00 56.10 58.09 3mgt s TRP 274 Cb -0.02 -3.63 0.00 0.00 -1.50 0.00 0.00 33.47 28.32 3mgt s TRP 274 CO -0.01 -2.34 0.00 -0.85 -4.62 0.00 0.00 176.95 169.13