#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 6.29 0.07 1.61 0.01 -1.26 -3.69 113.70 116.73 3mgt s SER 2 Ca 0.00 1.37 -0.05 0.00 1.31 0.00 0.00 55.95 58.57 3mgt s SER 2 Cb 0.00 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 3mgt s SER 2 CO 0.00 -0.78 0.09 -1.00 0.41 0.00 0.00 173.24 171.96 3mgt s HIS 3 N -3.03 0.30 0.05 2.43 0.09 -0.13 -4.96 115.29 110.05 3mgt s HIS 3 Ca 0.54 -0.76 -0.06 0.00 -0.00 0.00 0.00 55.06 54.78 3mgt s HIS 3 Cb -0.11 -0.20 -0.01 0.00 -0.00 0.00 0.00 32.58 32.26 3mgt s HIS 3 CO 0.49 -0.46 0.11 -1.54 -0.00 0.00 0.00 174.74 173.35 3mgt s SER 4 N -2.79 0.19 -0.05 1.40 1.04 -1.26 0.36 113.70 112.59 3mgt s SER 4 Ca 0.05 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.90 3mgt s SER 4 Cb 0.05 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 3mgt s SER 4 CO -0.10 -0.58 -0.17 -0.32 0.98 0.00 0.00 173.24 173.05 3mgt s MET 5 N -3.12 1.86 -0.01 4.02 1.75 -0.44 -0.82 119.30 122.54 3mgt s MET 5 Ca -0.01 -0.61 0.02 0.00 -1.25 0.00 0.00 55.69 53.85 3mgt s MET 5 Cb 0.02 -1.59 -0.00 0.00 2.84 0.00 0.00 34.83 36.10 3mgt s MET 5 CO -0.07 0.22 -0.07 1.03 -0.65 0.00 0.00 175.02 175.47 3mgt s ARG 6 N 0.13 0.67 -0.11 4.11 1.81 -0.26 -1.61 118.95 123.69 3mgt s ARG 6 Ca -0.06 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.70 3mgt s ARG 6 Cb -0.12 -0.65 -0.02 0.00 -0.45 0.00 0.00 34.95 33.71 3mgt s ARG 6 CO 0.03 0.13 -0.13 0.71 -0.68 0.00 0.00 175.30 175.36 3mgt s TYR 7 N -0.01 2.79 -0.12 -0.53 2.02 -0.18 -0.04 117.35 121.27 3mgt s TYR 7 Ca 0.01 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3mgt s TYR 7 Cb -0.05 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 3mgt s TYR 7 CO -0.00 -0.10 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.65 3mgt s PHE 8 N 0.05 2.71 -0.08 2.71 0.08 0.14 -2.31 117.98 121.29 3mgt s PHE 8 Ca -0.05 -0.88 0.04 0.00 0.12 0.00 0.00 56.93 56.16 3mgt s PHE 8 Cb -0.14 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 3mgt s PHE 8 CO 0.04 -0.34 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.57 3mgt s PHE 9 N 0.44 2.07 -0.12 0.36 0.08 0.51 -1.53 117.98 119.79 3mgt s PHE 9 Ca -0.13 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.16 3mgt s PHE 9 Cb -0.17 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3mgt s PHE 9 CO 0.06 -0.31 -0.12 0.99 -0.10 0.00 0.00 175.22 175.74 3mgt s THR 10 N 0.34 1.31 -0.18 0.64 2.01 -0.33 -1.20 115.64 118.22 3mgt s THR 10 Ca -0.14 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.39 3mgt s THR 10 Cb -0.16 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.12 3mgt s THR 10 CO 0.06 0.41 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.66 3mgt s SER 11 N 1.44 3.24 -0.17 3.53 0.15 0.59 -1.32 113.70 121.16 3mgt s SER 11 Ca 0.02 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.05 3mgt s SER 11 Cb -0.13 -1.50 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 3mgt s SER 11 CO -0.07 -0.00 -0.15 -0.69 1.20 0.00 0.00 173.24 173.52 3mgt s VAL 12 N 1.30 1.78 0.49 4.45 1.01 -0.46 -0.12 120.40 128.85 3mgt s VAL 12 Ca 0.05 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 3mgt s VAL 12 Cb -0.13 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 3mgt s VAL 12 CO -0.12 0.41 1.20 -0.94 0.00 0.00 0.00 175.10 175.64 3mgt s SER 13 N 1.38 5.89 -0.51 3.32 1.04 -0.44 -1.45 113.70 122.92 3mgt s SER 13 Ca 0.03 2.37 0.04 0.00 0.48 0.00 0.00 55.95 58.87 3mgt s SER 13 Cb -0.14 -2.61 0.16 0.00 0.10 0.00 0.00 66.02 63.54 3mgt s SER 13 CO -0.11 -1.11 0.36 -0.13 0.98 0.00 0.00 173.24 173.23 3mgt s ARG 14 N -2.85 1.51 -0.01 4.02 0.52 -1.26 -4.22 118.95 116.66 3mgt s ARG 14 Ca 0.67 -2.48 -0.36 0.00 -0.52 0.00 0.00 55.73 53.04 3mgt s ARG 14 Cb -0.30 -2.30 -0.15 0.00 0.52 0.00 0.00 34.95 32.72 3mgt s ARG 14 CO 0.36 -1.30 1.59 -2.30 0.02 0.00 0.00 175.30 173.68 3mgt n PRO 15 N 2.75 1.61 -1.01 3.54 -0.02 -1.26 -0.96 135.00 139.65 3mgt n PRO 15 Ca 0.21 0.59 -0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3mgt n PRO 15 Cb 0.40 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.48 0.34 0.25 -1.23 0.00 -1.26 -4.82 105.19 101.96 3mgt n GLY 16 Ca 0.21 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.64 0.74 0.00 1.61 1.74 -0.14 -5.12 116.66 113.86 3mgt n ARG 17 Ca -0.00 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 3mgt n ARG 17 Cb 0.18 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.77 0.70 3.78 -0.13 0.00 -1.22 -4.93 105.19 102.61 3mgt n GLY 18 Ca 0.09 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 3mgt n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgt s GLU 19 N 0.00 4.00 0.56 1.61 8.01 -1.26 -4.60 118.70 127.03 3mgt s GLU 19 Ca 0.00 1.61 -0.20 0.00 0.01 0.00 0.00 54.97 56.39 3mgt s GLU 19 Cb 0.00 -2.48 -0.04 0.00 -4.31 0.00 0.00 34.13 27.30 3mgt s GLU 19 CO 0.00 -0.30 1.23 -2.14 0.01 0.00 0.00 175.26 174.06 3mgt s PRO 20 N -2.59 3.14 0.28 0.39 0.02 -1.26 -4.68 135.00 130.30 3mgt s PRO 20 Ca 0.60 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 3mgt s PRO 20 Cb -0.24 -2.08 -0.10 0.00 0.02 0.00 0.00 34.50 32.10 3mgt s PRO 20 CO 0.30 -1.09 1.32 0.50 -0.33 0.00 0.00 177.00 177.70 3mgt s ARG 21 N -3.13 4.37 -0.08 5.54 6.06 -0.53 -4.86 118.95 126.31 3mgt s ARG 21 Ca 0.74 2.16 -0.02 0.00 -2.50 0.00 0.00 55.73 56.11 3mgt s ARG 21 Cb -0.32 -3.12 0.03 0.00 0.06 0.00 0.00 34.95 31.60 3mgt s ARG 21 CO 0.36 -0.22 0.01 0.12 -2.50 0.00 0.00 175.30 173.08 3mgt s PHE 22 N -0.59 0.63 -0.11 5.12 5.36 -1.26 -1.36 117.98 125.77 3mgt s PHE 22 Ca 0.53 -0.20 0.03 0.00 -0.96 0.00 0.00 56.93 56.33 3mgt s PHE 22 Cb -0.39 -0.79 0.00 0.00 -0.34 0.00 0.00 43.02 41.51 3mgt s PHE 22 CO 0.46 -0.35 -0.22 0.42 -1.46 0.00 0.00 175.22 174.07 3mgt s ILE 23 N 1.99 2.00 -0.03 3.12 -1.09 -0.43 -1.40 121.20 125.35 3mgt s ILE 23 Ca 0.04 -0.97 0.07 0.00 -2.23 0.00 0.00 60.65 57.57 3mgt s ILE 23 Cb -0.13 -1.74 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 3mgt s ILE 23 CO -0.05 0.54 -0.24 0.00 -1.23 0.00 0.00 174.94 173.95 3mgt s ALA 24 N 0.54 2.06 0.01 9.38 0.00 -0.04 -1.18 121.76 132.53 3mgt s ALA 24 Ca -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3mgt s ALA 24 Cb -0.17 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3mgt s ALA 24 CO 0.05 0.48 -0.02 0.14 0.00 0.00 0.00 175.76 176.40 3mgt s VAL 25 N -0.47 0.09 -0.01 0.00 -7.23 -0.58 -0.54 120.40 111.66 3mgt s VAL 25 Ca 0.06 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.67 3mgt s VAL 25 Cb -0.10 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 3mgt s VAL 25 CO 0.00 -0.35 -0.26 -0.83 -0.31 0.00 0.00 175.10 173.35 3mgt s GLY 26 N -1.03 1.29 0.00 2.32 0.00 -0.68 -0.68 107.32 108.53 3mgt s GLY 26 Ca -0.11 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.52 3mgt s GLY 26 CO -0.01 -0.97 -0.18 -0.19 0.00 0.00 0.00 173.10 171.75 3mgt s TYR 27 N -0.65 1.62 -0.26 1.90 1.51 0.95 -0.98 117.35 121.43 3mgt s TYR 27 Ca 0.10 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 3mgt s TYR 27 Cb -0.10 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3mgt s TYR 27 CO -0.00 0.00 0.08 0.08 -1.11 0.00 0.00 175.55 174.60 3mgt s VAL 28 N -0.53 4.26 0.00 0.71 1.01 0.24 -1.10 120.40 124.99 3mgt s VAL 28 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3mgt s VAL 28 Cb -0.07 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3mgt s VAL 28 CO -0.00 0.26 0.00 0.47 0.00 0.00 0.00 175.10 175.83 3mgt n ASP 29 N 4.92 0.00 -1.82 3.32 8.00 -0.00 -0.44 116.55 130.52 3mgt n ASP 29 Ca -0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.20 3mgt n ASP 29 Cb 0.50 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.81 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 5.86 3.51 -4.01 -2.24 8.00 -1.26 -4.88 116.55 121.52 3mgt n ASP 30 Ca 0.00 -3.59 -0.31 0.00 0.71 0.00 0.00 54.79 51.60 3mgt n ASP 30 Cb 0.00 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.19 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 -3.23 1.82 0.36 -3.53 2.01 0.41 -5.03 115.64 108.46 3mgt s THR 31 Ca 0.52 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 3mgt s THR 31 Cb 0.45 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.92 3mgt s THR 31 CO 0.08 0.06 1.34 -1.58 -0.69 0.00 0.00 174.62 173.83 3mgt s GLN 32 N 1.29 4.22 0.00 4.92 0.74 -1.26 -0.59 119.66 128.98 3mgt s GLN 32 Ca -0.05 2.28 0.00 0.00 0.05 0.00 0.00 55.36 57.64 3mgt s GLN 32 Cb -0.18 -2.98 0.00 0.00 1.10 0.00 0.00 33.01 30.95 3mgt s GLN 32 CO -0.07 -0.32 0.00 1.97 -0.55 0.00 0.00 175.29 176.32 3mgt n PHE 33 N 0.58 0.00 -4.05 1.67 -1.74 -0.15 -4.19 117.46 109.59 3mgt n PHE 33 Ca 0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.82 3mgt n PHE 33 Cb 0.42 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.32 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 -1.21 0.18 0.14 1.97 -7.23 -1.21 0.27 120.40 113.30 3mgt s VAL 34 Ca 0.00 -1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 58.35 3mgt s VAL 34 Cb 0.00 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.36 3mgt s VAL 34 CO 0.00 -0.80 0.36 0.00 -0.31 0.00 0.00 175.10 174.35 3mgt s ARG 35 N -3.93 1.11 -0.14 4.82 1.70 -0.66 -1.69 118.95 120.15 3mgt s ARG 35 Ca 0.10 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.39 3mgt s ARG 35 Cb 0.07 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.94 3mgt s ARG 35 CO -0.08 -0.43 0.34 0.12 -1.08 0.00 0.00 175.30 174.18 3mgt s PHE 36 N -3.87 -0.50 -0.16 5.89 5.36 0.30 -0.76 117.98 124.24 3mgt s PHE 36 Ca 0.08 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 3mgt s PHE 36 Cb 0.02 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.91 3mgt s PHE 36 CO -0.07 -0.30 -0.09 0.34 -1.46 0.00 0.00 175.22 173.63 3mgt s ASP 37 N 1.39 2.82 0.47 6.13 -1.08 -1.26 -0.86 116.67 124.28 3mgt s ASP 37 Ca -0.09 -0.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.48 3mgt s ASP 37 Cb -0.09 -1.05 1.12 0.00 -1.46 0.00 0.00 42.92 41.44 3mgt s ASP 37 CO -0.11 -0.13 2.06 0.77 0.52 0.00 0.00 175.17 178.28 3mgt h SER 38 N 8.08 0.21 -0.03 -0.34 4.64 -1.62 0.24 113.55 124.73 3mgt h SER 38 Ca -0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3mgt h SER 38 Cb 1.12 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3mgt h SER 38 CO 0.45 0.14 0.00 0.47 -0.87 0.00 0.00 176.83 177.03 3mgt n ASP 39 N -4.48 0.48 -4.89 4.97 9.92 -1.26 -4.87 116.55 116.42 3mgt n ASP 39 Ca 0.04 -1.35 -0.29 0.00 -0.53 0.00 0.00 54.79 52.66 3mgt n ASP 39 Cb 0.22 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.97 3.30 0.11 2.24 0.00 0.07 -5.01 121.76 120.50 3mgt s ALA 40 Ca 0.36 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 3mgt s ALA 40 Cb 0.18 -2.76 -0.15 0.00 0.00 0.00 0.00 23.12 20.38 3mgt s ALA 40 CO 0.29 -0.45 1.25 0.00 0.00 0.00 0.00 175.76 176.85 3mgt h ALA 41 N 0.08 0.27 -0.47 0.00 0.00 -1.89 -3.34 119.26 113.91 3mgt h ALA 41 Ca -0.46 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 53.76 3mgt h ALA 41 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3mgt h ALA 41 CO 0.62 0.78 0.27 0.66 0.00 0.00 0.00 179.25 181.57 3mgt h SER 42 N 0.28 0.42 -2.30 0.00 4.64 -1.95 -3.46 113.55 111.18 3mgt h SER 42 Ca -0.10 0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.93 3mgt h SER 42 Cb 1.64 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3mgt h SER 42 CO 0.18 0.30 -0.39 0.00 -0.87 0.00 0.00 176.83 176.05 3mgt n GLN 43 N -4.84 -1.54 -4.16 4.77 1.13 -1.25 -5.01 117.38 106.47 3mgt n GLN 43 Ca 0.03 0.71 -0.15 0.00 -1.94 0.00 0.00 57.00 55.64 3mgt n GLN 43 Cb 0.08 -5.03 -0.11 0.00 0.11 0.00 0.00 30.24 25.29 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 -4.84 0.80 0.31 -1.09 0.52 -1.26 -5.02 118.95 108.37 3mgt s ARG 44 Ca 0.03 -1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 3mgt s ARG 44 Cb -0.01 -0.60 -0.11 0.00 0.52 0.00 0.00 34.95 34.75 3mgt s ARG 44 CO 0.04 0.11 1.47 1.41 0.02 0.00 0.00 175.30 178.35 3mgt s MET 45 N -2.32 4.20 0.04 3.54 -2.45 -1.26 -4.71 119.30 116.34 3mgt s MET 45 Ca 0.01 2.44 0.07 0.00 -1.25 0.00 0.00 55.69 56.96 3mgt s MET 45 Cb -0.06 -3.04 -0.02 0.00 1.25 0.00 0.00 34.83 32.95 3mgt s MET 45 CO 0.01 -0.47 -0.19 -1.21 1.05 0.00 0.00 175.02 174.20 3mgt s GLU 46 N -1.08 1.30 0.40 4.11 2.02 0.06 -4.89 118.70 120.62 3mgt s GLU 46 Ca 0.57 -0.90 -0.26 0.00 0.02 0.00 0.00 54.97 54.40 3mgt s GLU 46 Cb -0.44 -1.39 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 3mgt s GLU 46 CO 0.51 0.35 1.31 -1.25 0.02 0.00 0.00 175.26 176.21 3mgt s PRO 47 N -1.16 3.98 0.00 0.39 0.04 -1.26 -1.65 135.00 135.34 3mgt s PRO 47 Ca 0.06 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3mgt s PRO 47 Cb -0.09 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3mgt s PRO 47 CO 0.02 -0.49 0.62 0.54 0.04 0.00 0.00 177.00 177.73 3mgt n ARG 48 N 0.15 0.91 -3.99 4.56 5.12 0.14 -4.85 116.66 118.71 3mgt n ARG 48 Ca 0.03 -0.78 -0.12 0.00 -1.93 0.00 0.00 57.85 55.06 3mgt n ARG 48 Cb 0.43 -0.68 -0.13 0.00 -1.16 0.00 0.00 32.46 30.92 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 -0.32 0.20 0.30 7.54 0.00 -1.20 -4.64 121.76 123.65 3mgt s ALA 49 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3mgt s ALA 49 Cb 0.00 0.02 0.52 0.00 0.00 0.00 0.00 23.12 23.67 3mgt s ALA 49 CO 0.00 -0.02 1.91 -1.35 0.00 0.00 0.00 175.76 176.29 3mgt h PRO 50 N 5.48 1.01 0.00 0.00 0.11 -1.94 -2.77 132.00 133.89 3mgt h PRO 50 Ca -0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3mgt h PRO 50 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3mgt h PRO 50 CO 0.47 0.67 0.00 -2.67 -0.21 0.00 0.00 178.00 176.25 3mgt n TRP 51 N -4.49 0.00 0.46 0.65 4.27 -1.26 -2.34 117.44 114.73 3mgt n TRP 51 Ca 0.14 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.81 3mgt n TRP 51 Cb 0.20 -0.22 -0.08 0.00 -1.36 0.00 0.00 31.31 29.85 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 -1.22 0.00 0.10 -1.67 0.13 -1.05 -4.66 119.36 110.99 3mgt n ILE 52 Ca 0.12 -0.23 0.05 0.00 -1.10 0.00 0.00 62.75 61.59 3mgt n ILE 52 Cb 0.16 0.83 0.48 0.00 -0.84 0.00 0.00 39.64 40.28 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 0.32 -0.60 9.51 5.08 -1.46 -2.43 114.58 125.00 3mgt h GLU 53 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3mgt h GLU 53 Cb 0.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3mgt h GLU 53 CO 0.00 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 3mgt n GLN 54 N -4.46 3.66 -2.01 2.33 1.13 -1.26 -4.88 117.38 111.90 3mgt n GLN 54 Ca 0.00 -2.84 -0.41 0.00 -1.94 0.00 0.00 57.00 51.81 3mgt n GLN 54 Cb 0.11 -1.86 -0.02 0.00 0.11 0.00 0.00 30.24 28.58 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 -1.89 4.27 1.26 -1.09 2.56 -0.92 -4.96 118.70 117.93 3mgt s GLU 55 Ca 0.49 2.32 -0.16 0.00 0.00 0.00 0.00 54.97 57.62 3mgt s GLU 55 Cb 0.32 -3.08 0.31 0.00 2.00 0.00 0.00 34.13 33.68 3mgt s GLU 55 CO 0.23 -0.38 0.90 0.41 -0.56 0.00 0.00 175.26 175.85 3mgt n GLY 56 N 1.69 -2.61 0.28 -1.50 0.00 -1.26 -4.75 105.19 97.04 3mgt n GLY 56 Ca 0.05 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.94 0.27 -0.73 1.61 0.13 -1.97 -1.96 132.00 126.41 3mgt h PRO 57 Ca -0.57 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.55 3mgt h PRO 57 Cb 1.33 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 3mgt h PRO 57 CO 0.43 0.19 0.48 1.49 -0.23 0.00 0.00 178.00 180.35 3mgt h GLU 58 N 0.28 0.93 0.16 0.86 4.22 -1.99 0.91 114.58 119.96 3mgt h GLU 58 Ca 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 3mgt h GLU 58 Cb -0.02 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3mgt h GLU 58 CO -0.02 0.62 -0.08 -0.92 -2.18 0.00 0.00 179.01 176.43 3mgt h TYR 59 N 0.96 -0.20 -0.21 0.92 5.03 -1.68 -2.08 116.97 119.72 3mgt h TYR 59 Ca 0.27 -0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.44 3mgt h TYR 59 Cb -0.08 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 3mgt h TYR 59 CO -0.03 -0.10 -0.45 -1.49 -1.32 0.00 0.00 178.16 174.78 3mgt h TRP 60 N -0.25 0.63 -0.65 -3.82 4.06 -1.27 -0.84 115.95 113.81 3mgt h TRP 60 Ca -0.02 -0.19 -0.04 0.00 2.06 0.00 0.00 58.89 60.69 3mgt h TRP 60 Cb 0.20 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 3mgt h TRP 60 CO -0.06 0.88 0.25 -0.44 -3.56 0.00 0.00 178.44 175.52 3mgt h ASP 61 N 0.42 0.89 -0.32 -3.49 5.19 -0.83 -1.18 116.42 117.11 3mgt h ASP 61 Ca 0.03 -0.17 -0.08 0.00 -0.62 0.00 0.00 57.03 56.18 3mgt h ASP 61 Cb 0.96 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 3mgt h ASP 61 CO 0.08 0.83 -0.11 1.23 -3.12 0.00 0.00 179.24 178.15 3mgt h GLY 62 N 0.91 0.70 1.66 2.75 0.00 -1.01 -0.59 103.07 107.49 3mgt h GLY 62 Ca 0.21 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 3mgt h GLY 62 CO -0.02 0.54 -0.42 0.83 0.00 0.00 0.00 176.54 177.47 3mgt h GLU 63 N 0.41 0.38 -0.21 4.80 4.39 -1.16 -1.85 114.58 121.34 3mgt h GLU 63 Ca 0.08 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3mgt h GLU 63 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3mgt h GLU 63 CO 0.04 0.74 0.04 1.15 -1.16 0.00 0.00 179.01 179.82 3mgt h THR 64 N 0.31 1.21 -0.06 1.13 2.02 -1.07 -1.54 112.91 114.90 3mgt h THR 64 Ca 0.03 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3mgt h THR 64 Cb 0.88 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3mgt h THR 64 CO 0.07 0.22 -0.01 -0.09 0.37 0.00 0.00 175.52 176.08 3mgt h ARG 65 N 0.15 0.01 -0.38 6.66 2.43 -1.00 -2.27 114.38 119.98 3mgt h ARG 65 Ca 0.06 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3mgt h ARG 65 Cb 0.29 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3mgt h ARG 65 CO 0.00 0.01 -0.19 0.87 -1.51 0.00 0.00 179.97 179.15 3mgt h LYS 66 N 0.01 0.73 0.00 0.20 1.57 -1.31 -2.52 116.57 115.25 3mgt h LYS 66 Ca 0.03 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.44 3mgt h LYS 66 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3mgt h LYS 66 CO -0.06 0.87 -0.44 -0.24 -0.57 0.00 0.00 179.45 179.01 3mgt h VAL 67 N 0.65 1.16 -0.16 0.50 3.04 -1.20 -1.03 116.25 119.20 3mgt h VAL 67 Ca 0.10 -1.59 -0.17 0.00 -1.01 0.00 0.00 66.70 64.03 3mgt h VAL 67 Cb 0.68 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 3mgt h VAL 67 CO 0.05 0.43 -0.59 0.11 -1.01 0.00 0.00 177.57 176.56 3mgt h LYS 68 N 0.00 0.53 -0.45 4.17 1.57 -1.19 -0.89 116.57 120.31 3mgt h LYS 68 Ca -0.00 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 3mgt h LYS 68 Cb 0.86 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3mgt h LYS 68 CO 0.06 0.96 -0.00 0.00 -0.57 0.00 0.00 179.45 179.90 3mgt h ALA 69 N 0.96 1.16 -0.44 3.86 0.00 -1.01 -1.41 119.26 122.38 3mgt h ALA 69 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3mgt h ALA 69 Cb 1.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3mgt h ALA 69 CO 0.11 0.55 0.23 0.45 0.00 0.00 0.00 179.25 180.58 3mgt h HIS 70 N 0.69 0.62 -0.13 0.00 3.86 -0.92 -2.33 115.15 116.93 3mgt h HIS 70 Ca 0.14 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3mgt h HIS 70 Cb 0.43 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3mgt h HIS 70 CO 0.02 0.48 0.00 1.03 0.86 0.00 0.00 177.93 180.33 3mgt h SER 71 N 0.57 -0.05 -0.67 2.45 0.87 -0.71 -1.79 113.55 114.22 3mgt h SER 71 Ca 0.15 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3mgt h SER 71 Cb 0.09 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3mgt h SER 71 CO -0.02 -0.00 0.38 1.56 -0.53 0.00 0.00 176.83 178.21 3mgt h GLN 72 N 0.05 0.95 -0.21 2.24 1.08 -1.19 -1.62 115.11 116.40 3mgt h GLN 72 Ca 0.06 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3mgt h GLN 72 Cb 0.07 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3mgt h GLN 72 CO -0.10 0.69 0.07 1.15 -0.95 0.00 0.00 178.83 179.69 3mgt h THR 73 N 0.95 1.18 -0.79 -0.54 2.02 -1.08 -2.98 112.91 111.67 3mgt h THR 73 Ca 0.24 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3mgt h THR 73 Cb 0.02 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3mgt h THR 73 CO -0.04 0.18 0.43 0.45 0.37 0.00 0.00 175.52 176.92 3mgt h HIS 74 N 0.17 1.09 -0.89 3.16 3.86 -0.95 -1.50 115.15 120.08 3mgt h HIS 74 Ca 0.07 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.35 3mgt h HIS 74 Cb 0.22 -0.35 -0.06 0.00 1.06 0.00 0.00 27.41 28.28 3mgt h HIS 74 CO -0.00 0.76 0.58 -0.09 0.86 0.00 0.00 177.93 180.04 3mgt h ARG 75 N 1.10 0.87 -0.09 2.45 2.43 -1.24 -1.48 114.38 118.43 3mgt h ARG 75 Ca 0.28 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.26 3mgt h ARG 75 Cb 0.03 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3mgt h ARG 75 CO -0.04 0.58 -0.46 0.28 -1.51 0.00 0.00 179.97 178.81 3mgt h VAL 76 N 0.90 1.39 -0.93 0.20 2.07 -1.29 -3.27 116.25 115.31 3mgt h VAL 76 Ca 0.41 -1.82 0.15 0.00 0.82 0.00 0.00 66.70 66.27 3mgt h VAL 76 Cb 0.39 2.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 3mgt h VAL 76 CO -0.18 0.54 0.60 0.44 0.02 0.00 0.00 177.57 178.99 3mgt h ASP 77 N 0.03 0.70 -0.73 0.57 3.32 -0.48 -0.43 116.42 119.41 3mgt h ASP 77 Ca -0.03 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3mgt h ASP 77 Cb 1.11 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 3mgt h ASP 77 CO 0.10 0.33 0.44 -0.07 -1.72 0.00 0.00 179.24 178.32 3mgt h LEU 78 N 0.73 0.69 0.09 1.55 3.38 -1.35 0.50 115.31 120.90 3mgt h LEU 78 Ca 0.48 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 3mgt h LEU 78 Cb 0.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3mgt h LEU 78 CO -0.24 0.46 -0.04 1.23 0.09 0.00 0.00 178.44 179.93 3mgt h GLY 79 N 0.82 -0.13 0.46 0.83 0.00 -1.22 -1.25 103.07 102.58 3mgt h GLY 79 Ca 0.31 0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.79 3mgt h GLY 79 CO -0.15 -0.05 0.42 -0.84 0.00 0.00 0.00 176.54 175.92 3mgt h THR 80 N -0.36 0.86 -0.35 4.70 2.02 -0.93 -0.47 112.91 118.38 3mgt h THR 80 Ca -0.01 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 3mgt h THR 80 Cb 0.30 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3mgt h THR 80 CO 0.02 0.13 -0.27 -0.07 0.37 0.00 0.00 175.52 175.70 3mgt h LEU 81 N 0.69 0.73 -1.30 2.58 3.38 -0.87 -0.03 115.31 120.50 3mgt h LEU 81 Ca 0.39 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3mgt h LEU 81 Cb 0.41 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3mgt h LEU 81 CO -0.27 0.97 0.53 -0.09 0.09 0.00 0.00 178.44 179.67 3mgt h ARG 82 N 0.61 0.78 0.02 1.13 2.43 0.12 -2.34 114.38 117.13 3mgt h ARG 82 Ca 0.08 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3mgt h ARG 82 Cb 0.78 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3mgt h ARG 82 CO 0.06 0.51 -0.23 0.78 -1.51 0.00 0.00 179.97 179.58 3mgt h GLY 83 N 0.80 0.14 -0.08 2.80 0.00 -0.82 -0.51 103.07 105.41 3mgt h GLY 83 Ca 0.37 -0.28 0.27 0.00 0.00 0.00 0.00 47.33 47.68 3mgt h GLY 83 CO -0.14 0.25 0.69 -0.97 0.00 0.00 0.00 176.54 176.37 3mgt h TYR 84 N -0.63 0.47 -0.39 5.60 0.05 -0.67 -0.57 116.97 120.83 3mgt h TYR 84 Ca -0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3mgt h TYR 84 Cb 1.05 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.66 3mgt h TYR 84 CO 0.21 0.06 0.00 0.66 -1.05 0.00 0.00 178.16 178.03 3mgt n TYR 85 N -4.50 0.52 -3.30 4.88 4.01 -0.91 -4.88 117.16 112.98 3mgt n TYR 85 Ca 0.24 -0.48 -0.23 0.00 -0.16 0.00 0.00 57.90 57.27 3mgt n TYR 85 Cb 0.92 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 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 0.69 -4.06 -4.89 7.72 5.03 -0.22 -4.95 115.26 114.59 3mgt n ASN 86 Ca 0.13 -0.36 -0.29 0.00 0.87 0.00 0.00 54.58 54.93 3mgt n ASN 86 Cb 0.45 -3.35 0.00 0.00 -1.02 0.00 0.00 39.78 35.87 3mgt n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3mgt s GLN 87 N -5.95 3.59 0.94 3.52 -0.21 -0.24 -5.03 119.66 116.28 3mgt s GLN 87 Ca 0.38 0.48 -0.12 0.00 0.02 0.00 0.00 55.36 56.12 3mgt s GLN 87 Cb -0.20 -2.23 0.15 0.00 1.00 0.00 0.00 33.01 31.73 3mgt s GLN 87 CO 0.47 -0.37 1.09 0.45 -2.12 0.00 0.00 175.29 174.81 3mgt s SER 88 N -4.08 3.05 0.08 5.90 0.15 -1.26 -4.80 113.70 112.74 3mgt s SER 88 Ca 0.51 1.54 0.26 0.00 0.70 0.00 0.00 55.95 58.96 3mgt s SER 88 Cb -0.11 -2.20 0.64 0.00 -1.71 0.00 0.00 66.02 62.64 3mgt s SER 88 CO 0.48 -2.91 1.54 1.21 1.20 0.00 0.00 173.24 174.76 3mgt n GLU 89 N -4.07 0.15 0.00 5.44 4.07 -1.26 -3.96 120.64 121.02 3mgt n GLU 89 Ca 0.07 0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.36 3mgt n GLU 89 Cb 0.55 -1.62 0.23 0.00 -0.06 0.00 0.00 31.44 30.54 3mgt n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3mgt n ALA 90 N -1.67 3.25 -2.51 4.31 0.00 -1.26 -4.73 120.51 117.91 3mgt n ALA 90 Ca 0.05 -0.50 -0.36 0.00 0.00 0.00 0.00 53.44 52.63 3mgt n ALA 90 Cb 0.39 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.48 2.42 -0.07 0.00 0.00 -1.25 -4.77 107.32 101.16 3mgt s GLY 91 Ca 0.22 -0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 3mgt s GLY 91 CO 0.54 0.01 0.64 -0.45 0.00 0.00 0.00 173.10 173.83 3mgt s SER 92 N -1.49 6.91 0.15 1.64 0.15 -1.26 -4.68 113.70 115.12 3mgt s SER 92 Ca 0.30 1.09 0.06 0.00 0.70 0.00 0.00 55.95 58.10 3mgt s SER 92 Cb -0.15 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 3mgt s SER 92 CO 0.16 -0.07 -0.13 -1.00 1.20 0.00 0.00 173.24 173.40 3mgt s HIS 93 N 0.68 1.46 -0.13 3.44 3.76 -1.26 -4.95 115.29 118.29 3mgt s HIS 93 Ca 0.34 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 3mgt s HIS 93 Cb -0.17 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.79 3mgt s HIS 93 CO 0.16 0.19 -0.19 0.99 -0.85 0.00 0.00 174.74 175.03 3mgt s THR 94 N -2.63 2.35 -0.14 1.30 2.01 -1.26 -1.33 115.64 115.94 3mgt s THR 94 Ca 0.14 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 3mgt s THR 94 Cb -0.02 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3mgt s THR 94 CO 0.03 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 3mgt s VAL 95 N 0.66 3.87 0.03 3.82 1.01 0.83 0.02 120.40 130.63 3mgt s VAL 95 Ca -0.10 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3mgt s VAL 95 Cb -0.16 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3mgt s VAL 95 CO 0.02 0.51 -0.22 -1.10 0.00 0.00 0.00 175.10 174.31 3mgt s GLN 96 N 0.17 1.52 -0.01 2.72 -0.21 -0.29 -0.30 119.66 123.27 3mgt s GLN 96 Ca -0.02 -0.95 0.01 0.00 0.02 0.00 0.00 55.36 54.43 3mgt s GLN 96 Cb -0.14 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.25 3mgt s GLN 96 CO 0.03 0.42 -0.04 0.50 -2.12 0.00 0.00 175.29 174.08 3mgt s ARG 97 N -1.08 0.42 -0.02 2.91 3.52 -0.34 -0.71 118.95 123.66 3mgt s ARG 97 Ca 0.08 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 3mgt s ARG 97 Cb -0.09 -0.43 0.01 0.00 -1.56 0.00 0.00 34.95 32.88 3mgt s ARG 97 CO 0.01 0.06 -0.01 1.41 -0.81 0.00 0.00 175.30 175.97 3mgt s MET 98 N 0.10 0.24 0.11 5.12 1.75 -0.45 -0.36 119.30 125.80 3mgt s MET 98 Ca -0.01 0.01 -0.06 0.00 -1.25 0.00 0.00 55.69 54.38 3mgt s MET 98 Cb -0.04 -0.34 -0.02 0.00 2.84 0.00 0.00 34.83 37.27 3mgt s MET 98 CO -0.00 -0.05 0.16 1.52 -0.65 0.00 0.00 175.02 175.99 3mgt s TYR 99 N 0.53 0.39 -5.00 4.11 -0.85 -0.98 -0.98 117.35 114.58 3mgt s TYR 99 Ca -0.05 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 55.68 3mgt s TYR 99 Cb -0.08 -0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.08 3mgt s TYR 99 CO -0.01 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 3mgt n GLY 100 N -0.08 -1.58 3.11 5.49 0.00 -1.06 -1.01 105.19 110.06 3mgt n GLY 100 Ca -0.11 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.26 3.84 0.16 0.00 1.01 0.10 -1.33 116.67 118.20 3mgt s ASP 102 Ca 0.00 -0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.07 3mgt s ASP 102 Cb -0.03 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 3mgt s ASP 102 CO -0.02 0.30 -0.18 0.68 0.21 0.00 0.00 175.17 176.16 3mgt s VAL 103 N -0.47 1.77 0.00 -1.27 -7.23 0.16 0.55 120.40 113.91 3mgt s VAL 103 Ca 0.06 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 3mgt s VAL 103 Cb -0.12 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.01 3mgt s VAL 103 CO 0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3mgt n GLY 104 N 0.32 -0.33 0.27 2.32 0.00 -0.21 -0.95 105.19 106.61 3mgt n GLY 104 Ca -0.13 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 0.00 -0.44 1.61 0.02 -1.90 0.29 113.55 113.12 3mgt h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mgt h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3mgt h SER 105 CO 0.00 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 174.88 3mgt n ASP 106 N -3.87 2.77 -0.29 3.07 5.68 -1.26 -4.73 116.55 117.90 3mgt n ASP 106 Ca -0.02 -2.12 -0.04 0.00 -0.50 0.00 0.00 54.79 52.11 3mgt n ASP 106 Cb 0.18 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.78 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 0.76 0.00 -3.12 2.11 7.02 0.09 -4.96 117.44 119.34 3mgt n TRP 107 Ca 0.16 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.31 3mgt n TRP 107 Cb 0.48 -1.92 -0.06 0.00 -2.42 0.00 0.00 31.31 27.39 3mgt n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3mgt s ARG 108 N -2.04 4.04 0.07 -0.99 0.52 -1.26 -4.70 118.95 114.59 3mgt s ARG 108 Ca 0.00 0.71 -0.32 0.00 -0.52 0.00 0.00 55.73 55.60 3mgt s ARG 108 Cb 0.00 -2.47 -0.11 0.00 0.52 0.00 0.00 34.95 32.89 3mgt s ARG 108 CO 0.00 0.17 1.81 0.34 0.02 0.00 0.00 175.30 177.64 3mgt n PHE 109 N -0.27 2.47 -0.10 -0.53 7.35 -1.26 -1.04 117.46 124.08 3mgt n PHE 109 Ca 0.03 -0.05 -0.15 0.00 -0.76 0.00 0.00 57.45 56.52 3mgt n PHE 109 Cb 0.53 -2.68 -0.05 0.00 0.35 0.00 0.00 39.48 37.63 3mgt n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3mgt n LEU 110 N 5.62 1.88 -3.87 -2.13 4.32 0.19 -4.85 117.00 118.15 3mgt n LEU 110 Ca 0.19 0.32 -0.10 0.00 -0.02 0.00 0.00 56.01 56.40 3mgt n LEU 110 Cb 0.34 -0.74 -0.09 0.00 -1.62 0.00 0.00 43.42 41.32 3mgt n LEU 110 CO 0.67 -0.02 -0.13 -0.13 -1.22 0.00 0.00 177.39 176.56 3mgt s ARG 111 N -2.74 0.67 0.15 3.23 0.52 -1.03 -4.97 118.95 114.79 3mgt s ARG 111 Ca -0.30 -0.69 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 3mgt s ARG 111 Cb 0.07 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 3mgt s ARG 111 CO 0.42 -0.19 -0.19 0.20 0.02 0.00 0.00 175.30 175.56 3mgt s GLY 112 N -2.15 1.38 0.06 -3.53 0.00 -1.26 0.01 107.32 101.82 3mgt s GLY 112 Ca -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.26 3mgt s GLY 112 CO -0.05 -1.48 -0.07 -0.19 0.00 0.00 0.00 173.10 171.31 3mgt s TYR 113 N -1.80 0.75 -0.30 1.90 1.51 0.15 -4.85 117.35 114.70 3mgt s TYR 113 Ca 0.14 -0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 55.50 3mgt s TYR 113 Cb -0.07 -0.44 0.19 0.00 -0.11 0.00 0.00 41.96 41.52 3mgt s TYR 113 CO 0.06 -0.10 0.84 -1.58 -1.11 0.00 0.00 175.55 173.66 3mgt s HIS 114 N -2.09 -1.05 0.02 2.71 2.46 -1.25 -2.55 115.29 113.54 3mgt s HIS 114 Ca -0.03 0.95 -0.09 0.00 0.47 0.00 0.00 55.06 56.36 3mgt s HIS 114 Cb -0.05 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 3mgt s HIS 114 CO -0.01 -0.59 0.18 1.14 -2.47 0.00 0.00 174.74 172.99 3mgt s GLN 115 N 2.91 0.61 0.16 2.88 -2.07 -0.15 -0.73 119.66 123.27 3mgt s GLN 115 Ca 0.12 -0.51 0.10 0.00 -1.82 0.00 0.00 55.36 53.24 3mgt s GLN 115 Cb -0.10 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 3mgt s GLN 115 CO -0.18 -0.17 -0.22 0.71 -1.32 0.00 0.00 175.29 174.12 3mgt s TYR 116 N -2.04 2.04 0.00 9.60 1.51 0.10 -1.34 117.35 127.23 3mgt s TYR 116 Ca -0.09 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 3mgt s TYR 116 Cb -0.04 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 3mgt s TYR 116 CO -0.01 0.38 -0.05 0.00 -1.11 0.00 0.00 175.55 174.75 3mgt s ALA 117 N -1.67 0.41 -0.18 3.71 0.00 0.11 -1.68 121.76 122.46 3mgt s ALA 117 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 3mgt s ALA 117 Cb -0.08 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3mgt s ALA 117 CO 0.07 0.07 -0.15 -0.47 0.00 0.00 0.00 175.76 175.28 3mgt s TYR 118 N -0.33 2.81 -1.42 0.00 5.04 -0.40 -1.13 117.35 121.93 3mgt s TYR 118 Ca -0.00 -1.33 -0.01 0.00 -2.44 0.00 0.00 57.07 53.29 3mgt s TYR 118 Cb -0.03 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.34 3mgt s TYR 118 CO -0.00 -0.66 0.48 -0.25 -1.34 0.00 0.00 175.55 173.78 3mgt n ASP 119 N 4.49 -0.66 0.00 4.32 8.00 0.10 -2.65 116.55 130.16 3mgt n ASP 119 Ca -0.20 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3mgt n ASP 119 Cb 0.51 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 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 -1.91 1.23 3.31 0.44 0.00 -1.26 -5.01 105.19 101.98 3mgt n GLY 120 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.11 1.18 0.15 1.61 -2.85 -1.09 -5.09 119.74 113.54 3mgt s LYS 121 Ca 0.00 -1.21 -0.33 0.00 -1.00 0.00 0.00 55.97 53.43 3mgt s LYS 121 Cb 0.00 -1.47 -0.16 0.00 -2.06 0.00 0.00 37.83 34.14 3mgt s LYS 121 CO 0.00 0.34 1.06 -0.25 0.10 0.00 0.00 175.35 176.60 3mgt n ASP 122 N 1.01 0.81 0.02 0.03 8.00 -1.26 -1.27 116.55 123.89 3mgt n ASP 122 Ca -0.19 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.45 3mgt n ASP 122 Cb 0.54 -1.14 -0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 1.27 0.00 -3.92 1.24 9.36 -0.68 -4.70 117.16 119.73 3mgt n TYR 123 Ca 0.16 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.26 3mgt n TYR 123 Cb 0.22 -0.03 -0.14 0.00 -0.63 0.00 0.00 39.34 38.77 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 -1.62 0.07 -0.02 2.97 2.07 -1.17 -4.15 121.20 119.35 3mgt s ILE 124 Ca -0.02 -0.09 -0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3mgt s ILE 124 Cb 0.00 -0.08 0.02 0.00 0.13 0.00 0.00 42.46 42.54 3mgt s ILE 124 CO 0.03 -0.02 0.03 0.00 -1.91 0.00 0.00 174.94 173.06 3mgt s ALA 125 N -0.11 0.06 0.19 1.50 0.00 -0.91 0.02 121.76 122.52 3mgt s ALA 125 Ca -0.01 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 3mgt s ALA 125 Cb -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 3mgt s ALA 125 CO -0.00 -0.09 1.45 -1.17 0.00 0.00 0.00 175.76 175.95 3mgt s LEU 126 N 0.85 4.38 0.89 0.00 2.96 0.09 -0.24 118.68 127.62 3mgt s LEU 126 Ca -0.07 2.56 -0.13 0.00 -0.22 0.00 0.00 54.13 56.26 3mgt s LEU 126 Cb -0.10 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.11 3mgt s LEU 126 CO -0.02 -0.71 1.19 -0.54 -1.32 0.00 0.00 176.35 174.95 3mgt s LYS 127 N 0.37 1.32 0.41 1.98 1.02 0.12 -4.62 119.74 120.34 3mgt s LYS 127 Ca 0.63 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.76 3mgt s LYS 127 Cb -0.41 -1.88 0.87 0.00 -0.52 0.00 0.00 37.83 35.89 3mgt s LYS 127 CO 0.37 -2.03 2.04 1.49 -0.92 0.00 0.00 175.35 176.29 3mgt h GLU 128 N -1.37 0.45 0.00 1.68 4.81 -1.89 0.00 114.58 118.27 3mgt h GLU 128 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3mgt h GLU 128 Cb 1.31 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3mgt h GLU 128 CO 0.58 0.34 0.00 -0.40 -0.73 0.00 0.00 179.01 178.80 3mgt n ASP 129 N -4.44 0.00 -2.04 1.04 5.68 -1.26 -4.80 116.55 110.72 3mgt n ASP 129 Ca 0.02 0.30 -0.18 0.00 -0.50 0.00 0.00 54.79 54.43 3mgt n ASP 129 Cb 0.10 -0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 39.65 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 -1.40 -1.56 0.00 -2.12 4.77 -0.01 -4.76 117.00 111.92 3mgt n LEU 130 Ca 0.05 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3mgt n LEU 130 Cb 0.13 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.56 3mgt n LEU 130 CO 0.11 -0.52 -0.29 0.54 -1.33 0.00 0.00 177.39 175.91 3mgt n ARG 131 N -2.64 2.55 -4.46 3.23 1.74 -1.26 -4.68 116.66 111.13 3mgt n ARG 131 Ca -0.20 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.65 3mgt n ARG 131 Cb 0.64 -0.79 -0.10 0.00 -1.02 0.00 0.00 32.46 31.19 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 -1.21 3.27 -0.02 0.55 1.04 -1.26 -4.97 113.70 111.10 3mgt s SER 132 Ca 0.00 -1.12 0.08 0.00 0.48 0.00 0.00 55.95 55.39 3mgt s SER 132 Cb 0.00 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3mgt s SER 132 CO 0.00 -0.16 -0.26 0.26 0.98 0.00 0.00 173.24 174.06 3mgt s TRP 133 N -2.74 2.33 -0.37 5.02 0.52 -1.26 -0.70 118.94 121.74 3mgt s TRP 133 Ca 0.29 -0.44 -0.15 0.00 0.02 0.00 0.00 56.10 55.82 3mgt s TRP 133 Cb 0.00 -1.50 0.00 0.00 -1.15 0.00 0.00 33.47 30.82 3mgt s TRP 133 CO 0.13 -0.04 0.36 0.99 0.02 0.00 0.00 176.95 178.41 3mgt s THR 134 N -0.61 5.18 -0.06 2.01 2.01 0.67 -4.92 115.64 119.91 3mgt s THR 134 Ca 0.10 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 61.95 3mgt s THR 134 Cb -0.10 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 3mgt s THR 134 CO -0.01 -0.20 -0.23 0.00 -0.69 0.00 0.00 174.62 173.49 3mgt s ALA 135 N 1.96 2.01 -0.19 7.40 0.00 -1.26 -2.13 121.76 129.55 3mgt s ALA 135 Ca 0.10 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 3mgt s ALA 135 Cb -0.17 -0.67 -0.12 0.00 0.00 0.00 0.00 23.12 22.16 3mgt s ALA 135 CO 0.12 0.35 0.02 0.00 0.00 0.00 0.00 175.76 176.25 3mgt n ALA 136 N 3.14 0.68 -3.29 0.00 0.00 -1.26 -4.86 120.51 114.92 3mgt n ALA 136 Ca -0.18 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.68 3mgt n ALA 136 Cb 0.52 -0.29 0.01 0.00 0.00 0.00 0.00 19.45 19.70 3mgt n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mgt n ASP 137 N -4.50 1.05 -0.09 0.00 5.68 -1.26 -4.97 116.55 112.46 3mgt n ASP 137 Ca -0.23 -1.52 -0.13 0.00 -0.50 0.00 0.00 54.79 52.41 3mgt n ASP 137 Cb 0.53 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 3mgt n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3mgt h MET 138 N 0.00 0.64 0.20 0.11 2.86 -1.99 -1.95 114.93 114.79 3mgt h MET 138 Ca -0.09 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3mgt h MET 138 Cb 0.38 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3mgt h MET 138 CO 0.14 0.93 -0.49 0.00 1.06 0.00 0.00 176.91 178.55 3mgt h ALA 139 N 0.69 -0.95 -0.88 6.32 0.00 -1.96 -0.91 119.26 121.58 3mgt h ALA 139 Ca 0.04 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.95 3mgt h ALA 139 Cb 0.81 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 3mgt h ALA 139 CO 0.06 -1.10 0.51 0.00 0.00 0.00 0.00 179.25 178.72 3mgt h ALA 140 N -0.49 1.29 -0.61 0.00 0.00 -1.85 -0.73 119.26 116.87 3mgt h ALA 140 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3mgt h ALA 140 Cb 0.76 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3mgt h ALA 140 CO -0.23 0.09 0.40 1.96 0.00 0.00 0.00 179.25 181.47 3mgt h GLN 141 N 0.81 0.78 -0.27 0.00 4.20 -0.69 0.11 115.11 120.06 3mgt h GLN 141 Ca 0.44 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 3mgt h GLN 141 Cb 0.46 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3mgt h GLN 141 CO -0.28 0.52 0.15 1.15 -0.67 0.00 0.00 178.83 179.70 3mgt h THR 142 N 0.81 1.12 -0.58 -0.54 2.02 0.23 -0.25 112.91 115.71 3mgt h THR 142 Ca 0.22 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3mgt h THR 142 Cb -0.07 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3mgt h THR 142 CO -0.05 0.12 0.35 0.74 0.37 0.00 0.00 175.52 177.05 3mgt h THR 143 N 0.32 1.05 -0.84 3.16 2.02 -0.97 -2.03 112.91 115.62 3mgt h THR 143 Ca 0.09 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.10 3mgt h THR 143 Cb 0.06 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 3mgt h THR 143 CO -0.02 0.13 0.55 0.50 0.37 0.00 0.00 175.52 177.05 3mgt h LYS 144 N 0.69 0.91 -0.20 6.66 3.64 -0.25 -0.77 116.57 127.25 3mgt h LYS 144 Ca 0.24 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3mgt h LYS 144 Cb 0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3mgt h LYS 144 CO -0.11 0.60 -0.02 0.45 -2.27 0.00 0.00 179.45 178.11 3mgt h HIS 145 N 0.94 0.41 -0.60 1.91 3.86 -0.51 -0.93 115.15 120.22 3mgt h HIS 145 Ca 0.36 -0.08 0.12 0.00 -1.16 0.00 0.00 60.37 59.62 3mgt h HIS 145 Cb 0.21 -0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.47 3mgt h HIS 145 CO -0.00 0.58 -0.06 0.87 0.86 0.00 0.00 177.93 180.18 3mgt h LYS 146 N 0.11 0.06 0.00 2.45 1.57 -0.68 -2.42 116.57 117.66 3mgt h LYS 146 Ca 0.06 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 3mgt h LYS 146 Cb 0.43 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3mgt h LYS 146 CO 0.01 0.04 -0.52 -1.49 -0.57 0.00 0.00 179.45 176.92 3mgt h TRP 147 N 0.07 0.00 -0.22 -1.35 4.06 -0.92 -1.77 115.95 115.82 3mgt h TRP 147 Ca 0.30 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.10 3mgt h TRP 147 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3mgt h TRP 147 CO -0.41 0.52 -0.48 0.93 -3.56 0.00 0.00 178.44 175.44 3mgt h GLU 148 N 0.00 0.58 0.01 0.49 5.08 -0.91 0.28 114.58 120.11 3mgt h GLU 148 Ca -0.01 -0.34 -0.20 0.00 -1.00 0.00 0.00 59.36 57.82 3mgt h GLU 148 Cb 1.22 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3mgt h GLU 148 CO 0.07 0.94 -0.92 0.00 -1.00 0.00 0.00 179.01 178.09 3mgt h ALA 149 N 1.00 0.48 -0.17 3.43 0.00 -1.13 -2.98 119.26 119.89 3mgt h ALA 149 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3mgt h ALA 149 Cb 1.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mgt h ALA 149 CO 0.09 1.08 0.00 0.00 0.00 0.00 0.00 179.25 180.43 3mgt n ALA 150 N -2.40 2.51 -3.96 0.00 0.00 -0.69 -4.94 120.51 111.03 3mgt n ALA 150 Ca -0.01 -0.58 -0.28 0.00 0.00 0.00 0.00 53.44 52.57 3mgt n ALA 150 Cb 0.86 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 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 0.50 -1.82 -0.27 0.00 -0.00 -0.78 -4.88 115.22 107.98 3mgt n HIS 151 Ca 0.17 0.80 -0.05 0.00 -0.00 0.00 0.00 57.72 58.64 3mgt n HIS 151 Cb 0.38 -3.73 0.06 0.00 -0.00 0.00 0.00 29.99 26.69 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 1.21 -0.84 1.59 2.07 -1.26 -2.96 116.25 114.24 3mgt h VAL 152 Ca -0.61 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 66.50 3mgt h VAL 152 Cb 1.37 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3mgt h VAL 152 CO 0.65 0.22 0.55 0.00 0.02 0.00 0.00 177.57 179.01 3mgt h ALA 153 N 1.23 1.60 -0.47 1.67 0.00 -1.90 -1.48 119.26 119.92 3mgt h ALA 153 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3mgt h ALA 153 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3mgt h ALA 153 CO -0.05 0.26 -0.01 0.93 0.00 0.00 0.00 179.25 180.39 3mgt h GLU 154 N 0.91 0.83 -0.31 0.00 3.07 -1.79 0.18 114.58 117.46 3mgt h GLU 154 Ca 0.37 -0.27 -0.18 0.00 -0.50 0.00 0.00 59.36 58.78 3mgt h GLU 154 Cb 0.26 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3mgt h GLU 154 CO -0.14 0.89 -0.50 1.96 -1.40 0.00 0.00 179.01 179.82 3mgt h GLN 155 N 0.68 0.88 -0.66 2.33 4.20 -1.51 -2.44 115.11 118.58 3mgt h GLN 155 Ca 0.13 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.27 3mgt h GLN 155 Cb 0.51 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3mgt h GLN 155 CO 0.03 1.17 0.23 -0.07 -0.67 0.00 0.00 178.83 179.51 3mgt h LEU 156 N 0.69 0.94 -0.97 1.46 3.38 -1.11 -2.78 115.31 116.93 3mgt h LEU 156 Ca 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3mgt h LEU 156 Cb 1.10 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3mgt h LEU 156 CO 0.11 0.88 0.48 -0.09 0.09 0.00 0.00 178.44 179.92 3mgt h ARG 157 N 0.95 1.21 -0.12 1.13 2.43 -0.55 -0.60 114.38 118.83 3mgt h ARG 157 Ca 0.22 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3mgt h ARG 157 Cb 0.26 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3mgt h ARG 157 CO -0.01 0.88 -0.04 0.00 -1.51 0.00 0.00 179.97 179.29 3mgt h ALA 158 N 1.31 0.07 -0.53 2.80 0.00 -1.22 -1.55 119.26 120.14 3mgt h ALA 158 Ca 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3mgt h ALA 158 Cb 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3mgt h ALA 158 CO -0.05 -0.49 0.21 -0.92 0.00 0.00 0.00 179.25 177.99 3mgt h TYR 159 N -0.02 0.82 -0.54 0.00 3.20 -1.21 0.80 116.97 120.03 3mgt h TYR 159 Ca 0.06 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 3mgt h TYR 159 Cb 0.11 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3mgt h TYR 159 CO -0.17 0.68 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.93 3mgt h LEU 160 N 0.73 0.92 0.00 2.82 3.38 -0.87 0.16 115.31 122.44 3mgt h LEU 160 Ca 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3mgt h LEU 160 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3mgt h LEU 160 CO -0.01 0.99 -0.85 -0.62 0.09 0.00 0.00 178.44 178.03 3mgt n GLU 161 N -4.18 0.42 0.00 1.13 1.02 -0.61 -3.88 120.64 114.53 3mgt n GLU 161 Ca 0.02 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3mgt n GLU 161 Cb 0.34 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.28 0.18 0.36 0.62 0.00 0.27 -4.62 105.19 103.28 3mgt n GLY 162 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.93 0.16 2.61 1.03 -1.65 0.16 112.91 116.15 3mgt h THR 163 Ca 0.00 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.19 3mgt h THR 163 Cb 0.00 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.37 3mgt h THR 163 CO 0.00 0.11 -0.08 0.00 -0.01 0.00 0.00 175.52 175.54 3mgt h VAL 165 N -0.26 1.19 -0.74 0.00 2.07 -1.55 -1.22 116.25 115.74 3mgt h VAL 165 Ca -0.02 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3mgt h VAL 165 Cb 0.20 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3mgt h VAL 165 CO 0.04 0.20 0.40 -0.08 0.02 0.00 0.00 177.57 178.14 3mgt h GLU 166 N 0.24 0.68 0.00 1.57 4.81 -0.53 -1.09 114.58 120.26 3mgt h GLU 166 Ca 0.08 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3mgt h GLU 166 Cb 0.23 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3mgt h GLU 166 CO -0.00 0.45 -0.82 -1.49 -0.73 0.00 0.00 179.01 176.42 3mgt h TRP 167 N 0.70 0.00 -0.44 0.92 4.06 -0.73 -2.84 115.95 117.62 3mgt h TRP 167 Ca 0.35 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.28 3mgt h TRP 167 Cb 0.31 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 3mgt h TRP 167 CO -0.08 0.38 0.18 1.25 -3.56 0.00 0.00 178.44 176.61 3mgt h LEU 168 N 0.00 0.60 -0.60 -4.49 5.85 -0.74 -1.72 115.31 114.21 3mgt h LEU 168 Ca -0.05 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3mgt h LEU 168 Cb 1.33 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3mgt h LEU 168 CO 0.04 0.60 0.37 0.03 -0.34 0.00 0.00 178.44 179.13 3mgt h ARG 169 N 0.57 0.70 -0.62 1.25 3.08 -1.19 -1.15 114.38 117.01 3mgt h ARG 169 Ca 0.15 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3mgt h ARG 169 Cb 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3mgt h ARG 169 CO -0.01 0.46 0.37 -0.09 -1.07 0.00 0.00 179.97 179.63 3mgt h ARG 170 N 0.72 0.84 -0.54 0.04 2.43 -1.29 -0.97 114.38 115.61 3mgt h ARG 170 Ca 0.24 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3mgt h ARG 170 Cb 0.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3mgt h ARG 170 CO -0.10 0.60 0.18 1.88 -1.51 0.00 0.00 179.97 181.03 3mgt h TYR 171 N 0.84 0.86 -0.59 2.20 0.05 -1.00 0.12 116.97 119.43 3mgt h TYR 171 Ca 0.22 -0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.98 3mgt h TYR 171 Cb -0.02 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.42 3mgt h TYR 171 CO -0.02 0.72 0.31 -0.07 -1.05 0.00 0.00 178.16 178.05 3mgt h LEU 172 N 0.75 0.45 0.48 3.88 3.38 -0.86 0.11 115.31 123.48 3mgt h LEU 172 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3mgt h LEU 172 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3mgt h LEU 172 CO -0.01 0.29 -0.23 -0.33 0.09 0.00 0.00 178.44 178.26 3mgt h GLU 173 N 0.58 -0.62 -0.87 1.13 5.08 -0.70 -2.26 114.58 116.92 3mgt h GLU 173 Ca 0.27 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 3mgt h GLU 173 Cb 0.18 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3mgt h GLU 173 CO -0.18 -0.33 0.57 -0.91 -1.00 0.00 0.00 179.01 177.16 3mgt h ASN 174 N -0.84 0.90 -0.91 1.42 -0.26 -0.62 -2.29 115.58 112.99 3mgt h ASN 174 Ca -0.07 -0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 55.08 3mgt h ASN 174 Cb 0.57 -0.20 -0.30 0.00 -1.06 0.00 0.00 38.32 37.33 3mgt h ASN 174 CO 0.11 0.60 0.47 0.61 -1.06 0.00 0.00 177.43 178.16 3mgt n GLY 175 N -1.40 5.70 0.20 2.83 0.00 0.36 -4.78 105.19 108.09 3mgt n GLY 175 Ca 0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 3mgt n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mgt h LYS 176 N 1.81 0.25 0.00 1.61 3.64 -0.79 0.70 116.57 123.79 3mgt h LYS 176 Ca 0.54 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.90 3mgt h LYS 176 Cb 1.30 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3mgt h LYS 176 CO 1.29 0.17 -0.01 1.49 -2.27 0.00 0.00 179.45 180.11 3mgt h GLU 177 N 0.26 0.00 0.00 1.90 4.81 -1.87 -1.19 114.58 118.50 3mgt h GLU 177 Ca 0.25 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.13 3mgt h GLU 177 Cb 0.32 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3mgt h GLU 177 CO -0.31 0.01 -2.18 2.41 -0.73 0.00 0.00 179.01 178.22 3mgt n THR 178 N -4.01 1.16 0.15 0.32 -1.04 -0.66 -4.27 114.28 105.94 3mgt n THR 178 Ca -0.03 -0.32 0.04 0.00 -2.04 0.00 0.00 64.05 61.70 3mgt n THR 178 Cb 0.10 -1.68 0.09 0.00 -1.82 0.00 0.00 70.33 67.02 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 -0.62 0.00 -2.91 -4.42 3.38 0.36 -3.21 115.31 107.91 3mgt h LEU 179 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3mgt h LEU 179 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3mgt h LEU 179 CO -0.28 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.70 3mgt n GLN 180 N -3.25 3.00 -2.54 1.13 6.02 -0.45 -4.98 117.38 116.29 3mgt n GLN 180 Ca 0.02 -2.52 -0.30 0.00 -0.01 0.00 0.00 57.00 54.19 3mgt n GLN 180 Cb 0.68 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.28 3.70 -0.26 -1.09 1.70 -1.21 -5.00 118.95 115.51 3mgt s ARG 181 Ca 0.40 0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 56.16 3mgt s ARG 181 Cb 0.23 -2.29 0.08 0.00 -0.57 0.00 0.00 34.95 32.40 3mgt s ARG 181 CO 0.24 -0.22 0.07 0.99 -1.08 0.00 0.00 175.30 175.30 3mgt s THR 182 N -2.66 0.73 -0.59 4.99 2.01 -1.26 -4.68 115.64 114.18 3mgt s THR 182 Ca 0.52 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 3mgt s THR 182 Cb -0.10 -1.41 0.09 0.00 0.01 0.00 0.00 72.50 71.08 3mgt s THR 182 CO 0.39 -0.48 0.75 -1.81 -0.69 0.00 0.00 174.62 172.78 3mgt s ASP 183 N 1.72 6.19 0.39 3.53 1.01 -0.74 -4.86 116.67 123.92 3mgt s ASP 183 Ca 0.05 -1.22 -0.27 0.00 0.71 0.00 0.00 52.55 51.82 3mgt s ASP 183 Cb -0.17 -2.33 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 3mgt s ASP 183 CO -0.19 -1.15 1.32 0.00 0.21 0.00 0.00 175.17 175.36 3mgt n ALA 184 N 6.62 1.49 -1.72 5.23 0.00 -1.26 -1.39 120.51 129.48 3mgt n ALA 184 Ca -0.07 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 3mgt n ALA 184 Cb 0.44 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.60 3mgt n ALA 184 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3mgt n PRO 185 N 0.28 2.15 -3.20 0.00 -0.02 -1.26 -4.61 135.00 128.35 3mgt n PRO 185 Ca 0.05 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 3mgt n PRO 185 Cb 0.38 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 3mgt n PRO 185 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mgt s LYS 186 N -2.14 4.16 0.01 -0.52 3.01 0.55 -4.84 119.74 119.95 3mgt s LYS 186 Ca 0.58 0.45 0.07 0.00 -1.01 0.00 0.00 55.97 56.07 3mgt s LYS 186 Cb -0.51 -3.60 -0.03 0.00 -1.01 0.00 0.00 37.83 32.69 3mgt s LYS 186 CO 0.60 -0.25 -0.21 0.95 0.51 0.00 0.00 175.35 176.95 3mgt s THR 187 N 1.96 2.50 0.29 2.17 -4.23 -1.26 -0.64 115.64 116.44 3mgt s THR 187 Ca 0.25 -1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 59.51 3mgt s THR 187 Cb -0.16 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.73 3mgt s THR 187 CO 0.09 0.47 0.59 -1.38 -0.54 0.00 0.00 174.62 173.85 3mgt s HIS 188 N -0.77 0.29 -0.01 3.99 -3.43 -1.01 -4.98 115.29 109.37 3mgt s HIS 188 Ca 0.12 -0.72 0.04 0.00 -0.80 0.00 0.00 55.06 53.71 3mgt s HIS 188 Cb -0.10 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.42 3mgt s HIS 188 CO 0.02 -1.17 -0.13 1.41 -2.00 0.00 0.00 174.74 172.86 3mgt s MET 189 N -3.55 1.11 0.17 -0.38 1.75 -1.26 0.14 119.30 117.27 3mgt s MET 189 Ca 0.20 -0.48 0.09 0.00 -1.25 0.00 0.00 55.69 54.25 3mgt s MET 189 Cb -0.03 -1.06 -0.04 0.00 2.84 0.00 0.00 34.83 36.54 3mgt s MET 189 CO 0.11 0.28 -0.13 0.95 -0.65 0.00 0.00 175.02 175.58 3mgt s THR 190 N -0.29 3.02 -0.13 10.11 -4.23 -0.10 -4.97 115.64 119.06 3mgt s THR 190 Ca 0.05 -1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 3mgt s THR 190 Cb -0.05 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.35 3mgt s THR 190 CO -0.00 -0.07 0.01 -2.28 -0.54 0.00 0.00 174.62 171.74 3mgt s HIS 191 N -1.59 0.89 -0.03 3.99 2.46 -1.26 -1.60 115.29 118.14 3mgt s HIS 191 Ca 0.23 -0.51 0.03 0.00 0.47 0.00 0.00 55.06 55.28 3mgt s HIS 191 Cb -0.09 -0.93 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 3mgt s HIS 191 CO 0.14 -0.47 -0.10 -1.01 -2.47 0.00 0.00 174.74 170.83 3mgt s HIS 192 N 1.90 1.04 -0.38 3.88 3.76 -0.61 -4.99 115.29 119.89 3mgt s HIS 192 Ca 0.02 -0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 54.39 3mgt s HIS 192 Cb -0.14 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.83 3mgt s HIS 192 CO -0.07 -0.11 1.02 0.00 -0.85 0.00 0.00 174.74 174.74 3mgt s ALA 193 N 0.17 3.37 0.17 -1.40 0.00 -1.26 0.33 121.76 123.14 3mgt s ALA 193 Ca -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 3mgt s ALA 193 Cb -0.09 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.40 3mgt s ALA 193 CO 0.01 -1.74 1.46 0.28 0.00 0.00 0.00 175.76 175.77 3mgt h VAL 194 N 5.90 1.31 -0.54 0.00 2.07 -1.80 -3.48 116.25 119.71 3mgt h VAL 194 Ca -0.22 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.48 3mgt h VAL 194 Cb 1.07 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3mgt h VAL 194 CO 1.03 0.57 0.00 -1.54 0.02 0.00 0.00 177.57 177.66 3mgt n SER 195 N -3.96 0.00 -0.45 0.57 3.41 -1.00 -5.01 113.62 107.18 3mgt n SER 195 Ca -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3mgt n SER 195 Cb 0.63 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 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 1.90 -0.00 4.04 5.68 -1.26 -4.20 116.55 122.71 3mgt n ASP 196 Ca 0.00 -1.44 0.05 0.00 -0.50 0.00 0.00 54.79 52.90 3mgt n ASP 196 Cb 0.00 0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 40.41 3mgt n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mgt n HIS 197 N -0.16 0.00 -3.87 2.11 1.44 -1.26 -4.88 115.22 108.60 3mgt n HIS 197 Ca 0.09 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.70 3mgt n HIS 197 Cb 0.45 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.43 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 -2.08 0.62 0.01 -1.40 2.02 -1.26 -1.69 118.70 114.93 3mgt s GLU 198 Ca 0.03 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 3mgt s GLU 198 Cb 0.07 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.55 3mgt s GLU 198 CO 0.41 -0.17 -0.00 0.00 0.02 0.00 0.00 175.26 175.53 3mgt s ALA 199 N -2.29 0.03 -0.11 5.21 0.00 0.25 -2.36 121.76 122.49 3mgt s ALA 199 Ca -0.07 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.27 3mgt s ALA 199 Cb -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3mgt s ALA 199 CO -0.03 -0.12 0.74 0.99 0.00 0.00 0.00 175.76 177.34 3mgt s THR 200 N -1.06 4.99 -0.26 0.00 2.01 0.15 -0.31 115.64 121.16 3mgt s THR 200 Ca -0.12 1.50 -0.04 0.00 0.31 0.00 0.00 61.69 63.35 3mgt s THR 200 Cb -0.07 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.39 3mgt s THR 200 CO -0.00 0.16 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.86 3mgt s LEU 201 N 1.35 3.42 -0.14 4.42 2.96 -0.15 -1.57 118.68 128.98 3mgt s LEU 201 Ca 0.37 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3mgt s LEU 201 Cb -0.17 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 3mgt s LEU 201 CO 0.16 -0.15 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.26 3mgt s ARG 202 N 1.39 3.18 -0.25 1.98 3.52 -0.63 -1.08 118.95 127.06 3mgt s ARG 202 Ca 0.01 -0.78 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 3mgt s ARG 202 Cb -0.17 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 3mgt s ARG 202 CO -0.02 0.08 0.14 0.00 -0.81 0.00 0.00 175.30 174.69 3mgt s TRP 204 N 1.30 3.27 -0.16 0.00 0.52 0.12 -1.88 118.94 122.11 3mgt s TRP 204 Ca 0.07 0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.41 3mgt s TRP 204 Cb -0.14 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 3mgt s TRP 204 CO 0.06 0.44 -0.17 0.00 0.02 0.00 0.00 176.95 177.30 3mgt s ALA 205 N -0.61 2.09 0.04 0.98 0.00 -0.02 -2.40 121.76 121.85 3mgt s ALA 205 Ca 0.11 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3mgt s ALA 205 Cb -0.12 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 3mgt s ALA 205 CO 0.02 -0.33 -0.12 -0.51 0.00 0.00 0.00 175.76 174.83 3mgt s LEU 206 N 1.33 2.20 -1.22 0.00 1.43 0.19 -1.61 118.68 120.99 3mgt s LEU 206 Ca 0.04 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3mgt s LEU 206 Cb -0.13 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.63 3mgt s LEU 206 CO -0.11 -0.04 0.78 -0.24 0.23 0.00 0.00 176.35 176.97 3mgt n SER 207 N 1.75 -5.57 -4.80 2.29 2.88 -0.87 -0.33 113.62 108.98 3mgt n SER 207 Ca -0.19 -0.36 -0.23 0.00 -1.33 0.00 0.00 58.87 56.76 3mgt n SER 207 Cb 0.55 -4.28 -0.05 0.00 -0.75 0.00 0.00 64.21 59.67 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 -3.18 3.08 -0.23 0.66 -0.71 -1.13 -4.71 117.98 111.76 3mgt s PHE 208 Ca 0.39 -0.09 -0.19 0.00 -1.04 0.00 0.00 56.93 55.99 3mgt s PHE 208 Cb -0.17 -1.42 0.06 0.00 -1.21 0.00 0.00 43.02 40.29 3mgt s PHE 208 CO 0.48 0.53 0.60 -0.47 -1.34 0.00 0.00 175.22 175.01 3mgt s TYR 209 N -2.02 -0.72 0.00 3.49 5.04 -0.49 -1.20 117.35 121.45 3mgt s TYR 209 Ca 0.32 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 3mgt s TYR 209 Cb -0.08 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.52 3mgt s TYR 209 CO 0.24 -0.36 0.00 -0.35 -1.34 0.00 0.00 175.55 173.74 3mgt n PRO 210 N 3.17 -0.58 0.04 4.97 -0.05 -1.26 -1.78 135.00 139.51 3mgt n PRO 210 Ca -0.16 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.16 3mgt n PRO 210 Cb 0.56 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.99 3mgt n PRO 210 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3mgt h ALA 211 N -2.00 0.44 -2.29 0.55 0.00 -1.96 -3.45 119.26 110.55 3mgt h ALA 211 Ca 0.00 -0.64 -0.57 0.00 0.00 0.00 0.00 54.91 53.69 3mgt h ALA 211 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 17.80 3mgt h ALA 211 CO 0.00 0.76 0.96 -1.91 0.00 0.00 0.00 179.25 179.06 3mgt n GLU 212 N -3.83 2.35 -3.57 0.00 4.07 -1.26 -4.96 120.64 113.45 3mgt n GLU 212 Ca -0.06 0.85 -0.12 0.00 -0.06 0.00 0.00 57.16 57.77 3mgt n GLU 212 Cb 0.77 -2.68 -0.05 0.00 -0.06 0.00 0.00 31.44 29.42 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 2.18 0.04 -0.12 6.31 2.07 -1.26 -4.65 121.20 125.76 3mgt s ILE 213 Ca 0.83 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.78 3mgt s ILE 213 Cb -0.62 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 40.94 3mgt s ILE 213 CO 0.41 -0.17 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.18 3mgt s THR 214 N -3.08 1.83 -0.19 4.00 2.01 -0.25 -4.98 115.64 114.98 3mgt s THR 214 Ca -0.02 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3mgt s THR 214 Cb 0.00 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.94 3mgt s THR 214 CO -0.07 0.51 0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 3mgt s LEU 215 N 0.82 1.29 0.02 4.42 2.96 -1.26 -0.92 118.68 126.01 3mgt s LEU 215 Ca -0.08 -0.83 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 3mgt s LEU 215 Cb -0.16 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 3mgt s LEU 215 CO -0.00 -0.29 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.75 3mgt s THR 216 N 1.82 0.68 -0.05 3.68 2.01 -0.29 -4.90 115.64 118.59 3mgt s THR 216 Ca -0.01 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 3mgt s THR 216 Cb -0.17 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 3mgt s THR 216 CO -0.08 -0.08 0.00 0.26 -0.69 0.00 0.00 174.62 174.04 3mgt s TRP 217 N -0.77 3.12 0.05 4.92 0.52 -1.26 0.27 118.94 125.79 3mgt s TRP 217 Ca -0.02 0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.29 3mgt s TRP 217 Cb -0.07 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 3mgt s TRP 217 CO 0.00 0.46 -0.13 -0.65 0.02 0.00 0.00 176.95 176.66 3mgt s GLN 218 N -1.16 0.80 -0.27 4.98 -0.21 0.01 -2.12 119.66 121.69 3mgt s GLN 218 Ca 0.16 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.77 3mgt s GLN 218 Cb -0.11 -0.77 0.05 0.00 1.00 0.00 0.00 33.01 33.18 3mgt s GLN 218 CO 0.06 0.18 -0.08 0.50 -2.12 0.00 0.00 175.29 173.83 3mgt s ARG 219 N -1.32 2.43 -1.44 2.91 3.52 -0.75 -0.73 118.95 123.58 3mgt s ARG 219 Ca -0.01 -1.23 -0.10 0.00 -0.13 0.00 0.00 55.73 54.25 3mgt s ARG 219 Cb -0.08 -2.97 0.06 0.00 -1.56 0.00 0.00 34.95 30.40 3mgt s ARG 219 CO 0.01 -0.54 0.70 -0.25 -0.81 0.00 0.00 175.30 174.42 3mgt n ASP 220 N 4.54 -4.66 0.00 -2.12 8.00 -0.15 -2.33 116.55 119.82 3mgt n ASP 220 Ca -0.15 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3mgt n ASP 220 Cb 0.44 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 3mgt n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgt n GLY 221 N -1.44 1.06 3.81 0.44 0.00 -1.26 -5.05 105.19 102.74 3mgt n GLY 221 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.56 3.20 0.43 1.61 -1.05 -0.98 -5.03 118.70 116.32 3mgt s GLU 222 Ca 0.00 -0.37 -0.26 0.00 -0.15 0.00 0.00 54.97 54.19 3mgt s GLU 222 Cb 0.00 -2.96 -0.09 0.00 -0.44 0.00 0.00 34.13 30.64 3mgt s GLU 222 CO 0.00 0.69 1.43 0.34 0.95 0.00 0.00 175.26 178.67 3mgt s ASP 223 N -1.49 6.01 -0.28 0.83 -1.08 -1.26 -1.81 116.67 117.60 3mgt s ASP 223 Ca 0.20 2.94 0.08 0.00 -0.52 0.00 0.00 52.55 55.26 3mgt s ASP 223 Cb -0.12 -2.66 0.45 0.00 -1.46 0.00 0.00 42.92 39.14 3mgt s ASP 223 CO 0.11 -1.08 1.30 0.00 0.52 0.00 0.00 175.17 176.01 3mgt n GLN 224 N -0.01 2.42 -0.32 4.34 1.13 -0.90 -4.85 117.38 119.18 3mgt n GLN 224 Ca 0.04 -3.59 -0.09 0.00 -1.94 0.00 0.00 57.00 51.41 3mgt n GLN 224 Cb 0.41 -1.93 -0.08 0.00 0.11 0.00 0.00 30.24 28.75 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 1.42 0.00 0.00 5.09 2.02 -1.92 -0.33 112.91 119.19 3mgt h THR 225 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3mgt h THR 225 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3mgt h THR 225 CO 0.43 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.32 3mgt n GLN 226 N -4.88 0.21 -0.32 6.66 6.02 -1.26 -2.18 117.38 121.63 3mgt n GLN 226 Ca 0.01 0.32 0.09 0.00 -0.01 0.00 0.00 57.00 57.41 3mgt n GLN 226 Cb 0.22 -1.82 0.25 0.00 1.02 0.00 0.00 30.24 29.91 3mgt n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3mgt n ASP 227 N -2.20 3.60 -4.50 1.08 10.43 -0.46 -4.93 116.55 119.57 3mgt n ASP 227 Ca 0.04 -2.10 -0.34 0.00 2.57 0.00 0.00 54.79 54.96 3mgt n ASP 227 Cb 0.31 -0.39 -0.12 0.00 1.84 0.00 0.00 41.12 42.76 3mgt n ASP 227 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3mgt s THR 228 N -1.18 4.06 -0.47 -3.53 2.01 -0.26 -4.54 115.64 111.73 3mgt s THR 228 Ca 0.38 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 3mgt s THR 228 Cb 0.21 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.94 3mgt s THR 228 CO 0.24 0.46 0.94 -0.70 -0.69 0.00 0.00 174.62 174.86 3mgt s GLU 229 N 0.60 3.53 -0.20 4.92 2.12 0.08 -4.92 118.70 124.84 3mgt s GLU 229 Ca -0.01 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.49 3mgt s GLU 229 Cb -0.14 -3.93 0.04 0.00 0.26 0.00 0.00 34.13 30.35 3mgt s GLU 229 CO 0.02 -1.24 -0.14 -1.17 -0.54 0.00 0.00 175.26 172.19 3mgt s LEU 230 N 3.80 2.37 0.41 2.70 2.96 -1.26 -0.44 118.68 129.23 3mgt s LEU 230 Ca 0.37 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 53.31 3mgt s LEU 230 Cb -0.10 -1.35 -0.07 0.00 0.50 0.00 0.00 46.19 45.17 3mgt s LEU 230 CO 0.26 -0.10 0.79 0.68 -1.32 0.00 0.00 176.35 176.66 3mgt s VAL 231 N 1.33 4.75 0.36 1.68 -7.23 -1.06 -5.03 120.40 115.19 3mgt s VAL 231 Ca -0.00 0.70 -0.28 0.00 -1.81 0.00 0.00 61.98 60.58 3mgt s VAL 231 Cb -0.16 -3.72 -0.11 0.00 0.56 0.00 0.00 36.38 32.95 3mgt s VAL 231 CO -0.09 -0.52 1.44 -0.70 -0.31 0.00 0.00 175.10 174.91 3mgt s GLU 232 N -3.83 4.19 0.24 4.82 2.12 -1.26 -4.65 118.70 120.33 3mgt s GLU 232 Ca 0.52 2.46 -0.31 0.00 0.36 0.00 0.00 54.97 58.00 3mgt s GLU 232 Cb -0.10 -3.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.16 3mgt s GLU 232 CO 0.31 -0.44 1.56 2.41 -0.54 0.00 0.00 175.26 178.56 3mgt n THR 233 N 0.70 0.66 -4.16 -1.70 -1.04 -1.26 -4.84 114.28 102.65 3mgt n THR 233 Ca 0.01 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.05 61.70 3mgt n THR 233 Cb 0.40 -1.76 -0.13 0.00 -1.82 0.00 0.00 70.33 67.02 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 0.04 0.59 0.18 -2.82 1.70 -0.48 -4.96 118.95 113.19 3mgt s ARG 234 Ca 0.69 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 55.08 3mgt s ARG 234 Cb -0.57 -0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 33.26 3mgt s ARG 234 CO 0.44 0.11 1.05 -1.25 -1.08 0.00 0.00 175.30 174.57 3mgt s PRO 235 N -1.02 4.65 0.46 3.89 0.04 -1.26 -0.28 135.00 141.49 3mgt s PRO 235 Ca -0.04 1.64 0.26 0.00 0.04 0.00 0.00 61.00 62.90 3mgt s PRO 235 Cb -0.07 -3.29 0.63 0.00 0.04 0.00 0.00 34.50 31.82 3mgt s PRO 235 CO 0.00 0.17 1.71 0.00 0.04 0.00 0.00 177.00 178.93 3mgt h ALA 236 N 4.95 0.98 0.00 8.56 0.00 -1.40 -3.46 119.26 128.89 3mgt h ALA 236 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mgt h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3mgt h ALA 236 CO 0.71 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.42 3mgt n GLY 237 N 0.77 0.33 0.67 0.00 0.00 -1.26 -4.92 105.19 100.78 3mgt n GLY 237 Ca 0.03 0.00 0.06 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 3.18 0.00 1.61 5.75 -1.26 -4.93 116.55 120.90 3mgt n ASP 238 Ca 0.00 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 3mgt n ASP 238 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 0.04 0.68 3.94 6.12 0.00 -1.26 -5.07 105.19 109.64 3mgt n GLY 239 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.43 2.17 0.20 2.61 -4.23 -1.26 -4.88 115.64 107.83 3mgt s THR 240 Ca 0.00 -1.28 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 3mgt s THR 240 Cb 0.00 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 3mgt s THR 240 CO 0.00 0.00 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 3mgt s PHE 241 N -2.63 1.55 0.15 3.99 0.40 -0.34 -1.02 117.98 120.09 3mgt s PHE 241 Ca 0.47 -0.75 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 3mgt s PHE 241 Cb -0.04 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 3mgt s PHE 241 CO 0.29 0.14 -0.11 -0.65 0.70 0.00 0.00 175.22 175.59 3mgt s GLN 242 N -3.75 1.09 -0.15 0.44 -0.21 0.62 -2.04 119.66 115.66 3mgt s GLN 242 Ca 0.23 -1.45 -0.29 0.00 0.02 0.00 0.00 55.36 53.87 3mgt s GLN 242 Cb 0.03 -0.71 0.11 0.00 1.00 0.00 0.00 33.01 33.44 3mgt s GLN 242 CO 0.06 0.10 0.91 0.21 -2.12 0.00 0.00 175.29 174.45 3mgt s LYS 243 N -3.64 0.71 0.01 2.91 2.20 -0.63 -1.38 119.74 119.92 3mgt s LYS 243 Ca 0.17 0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.98 3mgt s LYS 243 Cb 0.01 0.34 -0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3mgt s LYS 243 CO 0.02 -0.20 0.12 1.67 -0.36 0.00 0.00 175.35 176.59 3mgt s TRP 244 N -0.90 0.10 -0.02 4.03 1.48 -1.26 -0.84 118.94 121.53 3mgt s TRP 244 Ca -0.03 -0.27 0.07 0.00 -1.06 0.00 0.00 56.10 54.81 3mgt s TRP 244 Cb -0.01 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.20 3mgt s TRP 244 CO 0.03 -0.31 -0.23 0.00 -4.06 0.00 0.00 176.95 172.38 3mgt s ALA 245 N -1.75 1.92 0.06 2.67 0.00 -0.79 -2.57 121.76 121.30 3mgt s ALA 245 Ca -0.12 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 50.91 3mgt s ALA 245 Cb -0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3mgt s ALA 245 CO -0.00 0.46 -0.14 0.00 0.00 0.00 0.00 175.76 176.07 3mgt s ALA 246 N -0.49 1.19 0.02 0.00 0.00 0.42 -0.07 121.76 122.83 3mgt s ALA 246 Ca 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3mgt s ALA 246 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3mgt s ALA 246 CO -0.00 0.20 -0.07 0.14 0.00 0.00 0.00 175.76 176.02 3mgt s VAL 247 N -1.09 0.54 -0.29 0.00 -7.23 -0.24 -0.74 120.40 111.35 3mgt s VAL 247 Ca -0.00 -0.72 -0.22 0.00 -1.81 0.00 0.00 61.98 59.22 3mgt s VAL 247 Cb -0.09 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 3mgt s VAL 247 CO 0.02 -0.14 0.72 -0.69 -0.31 0.00 0.00 175.10 174.70 3mgt s VAL 248 N -0.82 4.86 -0.15 1.32 1.01 -1.26 -0.98 120.40 124.38 3mgt s VAL 248 Ca -0.04 1.11 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 3mgt s VAL 248 Cb -0.07 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3mgt s VAL 248 CO 0.00 -0.17 -0.01 -0.69 0.00 0.00 0.00 175.10 174.24 3mgt s VAL 249 N 2.79 4.19 0.73 2.92 1.01 0.58 -4.93 120.40 127.68 3mgt s VAL 249 Ca 0.30 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 3mgt s VAL 249 Cb -0.15 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3mgt s VAL 249 CO 0.11 0.50 1.07 -2.84 0.00 0.00 0.00 175.10 173.94 3mgt s PRO 250 N 0.22 2.62 -0.06 2.72 0.02 -1.26 -0.58 135.00 138.67 3mgt s PRO 250 Ca -0.00 0.90 -0.36 0.00 0.02 0.00 0.00 61.00 61.56 3mgt s PRO 250 Cb -0.13 -1.96 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 3mgt s PRO 250 CO 0.02 -1.31 1.71 0.43 -0.33 0.00 0.00 177.00 177.52 3mgt n SER 251 N -3.26 2.88 -0.01 2.53 7.64 -0.68 -2.25 113.62 120.46 3mgt n SER 251 Ca 0.08 1.04 -0.00 0.00 1.01 0.00 0.00 58.87 60.99 3mgt n SER 251 Cb 0.54 -1.30 -0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 3.90 0.41 0.29 0.23 0.00 -1.26 -4.92 105.19 103.83 3mgt n GLY 252 Ca 0.22 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.99 1.62 -0.26 1.61 6.02 -0.96 -4.72 117.38 117.70 3mgt n GLN 253 Ca -0.00 -1.39 0.07 0.00 -0.01 0.00 0.00 57.00 55.67 3mgt n GLN 253 Cb 0.00 -1.13 0.19 0.00 1.02 0.00 0.00 30.24 30.33 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 1.08 0.17 0.00 -1.09 3.07 -1.92 0.14 114.58 116.03 3mgt h GLU 254 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3mgt h GLU 254 Cb 0.46 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3mgt h GLU 254 CO 0.00 0.11 0.00 -0.56 -1.40 0.00 0.00 179.01 177.16 3mgt h GLN 255 N 0.18 0.00 0.00 2.33 -0.00 -1.85 -1.84 115.11 113.93 3mgt h GLN 255 Ca 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 59.01 3mgt h GLN 255 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.26 3mgt h GLN 255 CO -0.61 0.00 -0.40 0.00 -0.00 0.00 0.00 178.83 177.82 3mgt h ARG 256 N 0.00 0.00 -6.13 0.06 3.08 -1.31 -3.46 114.38 106.61 3mgt h ARG 256 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3mgt h ARG 256 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3mgt h ARG 256 CO 0.00 0.40 -0.17 0.71 -1.07 0.00 0.00 179.97 179.84 3mgt s TYR 257 N -3.27 3.68 -0.03 3.04 1.51 -0.69 -0.98 117.35 120.60 3mgt s TYR 257 Ca 0.02 0.99 0.02 0.00 -1.01 0.00 0.00 57.07 57.10 3mgt s TYR 257 Cb 0.09 -2.30 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 3mgt s TYR 257 CO 0.70 0.56 -0.09 0.95 -1.11 0.00 0.00 175.55 176.57 3mgt s THR 258 N -1.25 0.76 -0.14 -0.71 -4.23 0.09 -4.40 115.64 105.76 3mgt s THR 258 Ca 0.30 -0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 3mgt s THR 258 Cb -0.16 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 3mgt s THR 258 CO 0.17 0.24 0.25 0.00 -0.54 0.00 0.00 174.62 174.74 3mgt s HIS 260 N 0.03 2.68 -0.12 0.00 3.76 0.14 0.27 115.29 122.05 3mgt s HIS 260 Ca 0.15 -1.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.06 3mgt s HIS 260 Cb -0.13 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.78 3mgt s HIS 260 CO 0.04 -0.42 -0.17 0.08 -0.85 0.00 0.00 174.74 173.42 3mgt s VAL 261 N 0.52 1.66 -0.10 -0.90 1.01 -0.25 -1.14 120.40 121.21 3mgt s VAL 261 Ca -0.12 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3mgt s VAL 261 Cb -0.17 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 3mgt s VAL 261 CO 0.05 0.47 -0.24 -1.10 0.00 0.00 0.00 175.10 174.28 3mgt s GLN 262 N 1.02 3.02 -0.04 2.72 -0.21 -0.09 -0.87 119.66 125.20 3mgt s GLN 262 Ca -0.05 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.18 3mgt s GLN 262 Cb -0.15 -2.30 0.06 0.00 1.00 0.00 0.00 33.01 31.62 3mgt s GLN 262 CO -0.03 0.20 0.61 -1.58 -2.12 0.00 0.00 175.29 172.37 3mgt s HIS 263 N 0.30 -0.57 0.44 0.91 2.46 -1.26 -1.09 115.29 116.48 3mgt s HIS 263 Ca -0.17 0.97 0.24 0.00 0.47 0.00 0.00 55.06 56.57 3mgt s HIS 263 Cb -0.18 0.35 1.25 0.00 -0.13 0.00 0.00 32.58 33.88 3mgt s HIS 263 CO 0.08 -0.57 1.78 1.49 -2.47 0.00 0.00 174.74 175.05 3mgt h GLU 264 N 3.17 0.25 -0.00 2.88 4.81 -1.93 0.63 114.58 124.40 3mgt h GLU 264 Ca -0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3mgt h GLU 264 Cb 1.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3mgt h GLU 264 CO 0.39 0.17 -0.04 0.41 -0.73 0.00 0.00 179.01 179.20 3mgt n GLY 265 N -1.56 -1.07 3.40 1.92 0.00 -1.26 -4.70 105.19 101.91 3mgt n GLY 265 Ca 0.26 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.42 3.23 0.08 0.99 1.43 0.21 -4.52 118.68 117.68 3mgt s LEU 266 Ca 0.32 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 3mgt s LEU 266 Cb 0.21 -1.85 -0.13 0.00 0.03 0.00 0.00 46.19 44.44 3mgt s LEU 266 CO 0.45 -0.02 1.46 -0.65 0.23 0.00 0.00 176.35 177.81 3mgt h PRO 267 N 8.15 -0.72 -6.16 1.29 0.11 -1.84 -3.42 132.00 129.41 3mgt h PRO 267 Ca -0.39 0.05 -0.69 0.00 0.11 0.00 0.00 66.00 65.08 3mgt h PRO 267 Cb 1.17 0.16 -0.19 0.00 0.11 0.00 0.00 31.00 32.25 3mgt h PRO 267 CO 0.59 -0.48 -0.70 -1.59 -0.21 0.00 0.00 178.00 175.61 3mgt s LYS 268 N -5.31 2.73 0.35 1.05 -2.85 -1.26 -5.09 119.74 109.36 3mgt s LYS 268 Ca -0.14 -0.56 -0.27 0.00 -1.00 0.00 0.00 55.97 54.00 3mgt s LYS 268 Cb 0.04 -2.58 -0.13 0.00 -2.06 0.00 0.00 37.83 33.11 3mgt s LYS 268 CO 0.49 0.66 1.05 -2.30 0.10 0.00 0.00 175.35 175.36 3mgt n PRO 269 N 2.21 1.49 -3.26 1.78 -0.02 -1.26 -4.94 135.00 131.00 3mgt n PRO 269 Ca -0.18 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.44 3mgt n PRO 269 Cb 0.53 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.12 4.51 -0.23 2.45 1.43 -0.05 -4.91 118.68 121.76 3mgt s LEU 270 Ca 0.59 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3mgt s LEU 270 Cb -0.63 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3mgt s LEU 270 CO 0.59 0.24 -0.12 -0.89 0.23 0.00 0.00 176.35 176.41 3mgt s THR 271 N -0.92 2.49 -0.02 5.49 2.01 -1.26 -1.09 115.64 122.34 3mgt s THR 271 Ca 0.29 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 61.23 3mgt s THR 271 Cb -0.19 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3mgt s THR 271 CO 0.19 0.28 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.54 3mgt s LEU 272 N 1.28 3.05 -0.01 4.42 1.43 0.14 -4.93 118.68 124.06 3mgt s LEU 272 Ca 0.00 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3mgt s LEU 272 Cb -0.16 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3mgt s LEU 272 CO -0.07 0.31 -0.02 -0.60 0.23 0.00 0.00 176.35 176.19 3mgt s ARG 273 N -1.18 0.26 -0.20 1.70 3.52 -1.26 0.56 118.95 122.35 3mgt s ARG 273 Ca 0.15 -0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.39 3mgt s ARG 273 Cb -0.11 -0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 32.97 3mgt s ARG 273 CO 0.05 0.02 1.34 -0.46 -0.81 0.00 0.00 175.30 175.43 3mgt s TRP 274 N 0.19 2.67 0.00 5.12 -0.11 -1.26 -5.06 118.94 120.48 3mgt s TRP 274 Ca -0.02 0.86 0.00 0.00 1.22 0.00 0.00 56.10 58.17 3mgt s TRP 274 Cb -0.04 -3.69 0.00 0.00 -1.50 0.00 0.00 33.47 28.24 3mgt s TRP 274 CO -0.00 -1.99 0.00 -0.85 -4.62 0.00 0.00 176.95 169.49