#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdr s VAL 4 N 0.00 5.25 0.15 6.31 1.01 -1.26 -4.87 120.40 126.99 1mdr s VAL 4 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.20 1mdr s VAL 4 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1mdr s VAL 4 CO 0.00 0.31 -0.05 -0.76 0.00 0.00 0.00 175.10 174.60 1mdr s LEU 5 N 1.36 3.15 0.03 3.92 1.43 -1.26 -1.32 118.68 125.99 1mdr s LEU 5 Ca 0.07 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 1mdr s LEU 5 Cb -0.15 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1mdr s LEU 5 CO 0.07 0.12 0.83 -0.63 0.23 0.00 0.00 176.35 176.97 1mdr s ILE 6 N -1.57 4.78 -0.12 -0.59 1.01 -0.23 -0.50 121.20 123.98 1mdr s ILE 6 Ca 0.25 1.75 0.03 0.00 0.00 0.00 0.00 60.65 62.68 1mdr s ILE 6 Cb -0.10 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1mdr s ILE 6 CO 0.16 0.30 0.12 0.35 0.00 0.00 0.00 174.94 175.87 1mdr n THR 7 N 3.18 0.00 -3.61 2.92 -2.24 0.58 0.11 114.28 115.23 1mdr n THR 7 Ca 0.00 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1mdr n THR 7 Cb 0.50 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1mdr n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mdr s GLY 8 N -1.48 -0.35 -0.06 3.38 0.00 -1.18 -4.82 107.32 102.80 1mdr s GLY 8 Ca 0.01 1.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.71 1mdr s GLY 8 CO 0.13 0.29 0.13 -2.27 0.00 0.00 0.00 173.10 171.38 1mdr s LEU 9 N -2.60 0.69 -0.00 0.66 2.96 -1.26 -1.03 118.68 118.10 1mdr s LEU 9 Ca 0.11 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1mdr s LEU 9 Cb 0.01 0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.96 1mdr s LEU 9 CO -0.04 -0.16 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.10 1mdr s ARG 10 N 1.29 1.04 0.05 1.98 3.52 -0.11 -4.98 118.95 121.74 1mdr s ARG 10 Ca -0.08 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 1mdr s ARG 10 Cb -0.12 -1.01 -0.02 0.00 -1.56 0.00 0.00 34.95 32.24 1mdr s ARG 10 CO -0.05 0.27 -0.12 0.95 -0.81 0.00 0.00 175.30 175.54 1mdr s THR 11 N -0.39 0.89 -0.02 4.11 -4.23 -1.26 -1.03 115.64 113.72 1mdr s THR 11 Ca 0.04 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1mdr s THR 11 Cb -0.05 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.93 1mdr s THR 11 CO -0.00 -0.22 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.71 1mdr s ARG 12 N -1.49 0.42 -0.23 3.99 0.52 -0.72 -4.96 118.95 116.48 1mdr s ARG 12 Ca -0.04 -0.06 -0.09 0.00 -0.52 0.00 0.00 55.73 55.02 1mdr s ARG 12 Cb -0.09 -0.48 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 1mdr s ARG 12 CO 0.01 -0.02 0.12 0.00 0.02 0.00 0.00 175.30 175.44 1mdr s ALA 13 N 0.49 3.48 0.16 2.13 0.00 -1.26 -0.27 121.76 126.48 1mdr s ALA 13 Ca -0.05 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1mdr s ALA 13 Cb -0.08 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1mdr s ALA 13 CO -0.01 -0.19 -0.21 0.14 0.00 0.00 0.00 175.76 175.49 1mdr s VAL 14 N 1.06 2.02 -0.34 0.00 -7.23 -0.19 -0.89 120.40 114.83 1mdr s VAL 14 Ca 0.06 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1mdr s VAL 14 Cb -0.14 -1.90 0.10 0.00 0.56 0.00 0.00 36.38 35.01 1mdr s VAL 14 CO 0.04 -0.17 0.08 0.21 -0.31 0.00 0.00 175.10 174.96 1mdr s ASN 15 N -2.48 4.46 -0.04 4.85 3.04 -0.32 -1.07 114.94 123.38 1mdr s ASN 15 Ca 0.16 -2.04 -0.17 0.00 0.04 0.00 0.00 52.86 50.84 1mdr s ASN 15 Cb -0.08 -1.35 -0.05 0.00 -1.54 0.00 0.00 41.25 38.23 1mdr s ASN 15 CO 0.07 -0.38 0.47 -0.69 -3.04 0.00 0.00 177.10 173.54 1mdr s VAL 16 N 1.07 5.05 0.35 -5.21 1.01 -0.45 -4.85 120.40 117.36 1mdr s VAL 16 Ca 0.11 0.97 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 1mdr s VAL 16 Cb -0.19 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1mdr s VAL 16 CO -0.13 0.45 1.14 -2.16 0.00 0.00 0.00 175.10 174.40 1mdr s PRO 17 N -0.25 4.32 -0.15 2.72 0.04 -1.26 -0.18 135.00 140.24 1mdr s PRO 17 Ca 0.26 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 1mdr s PRO 17 Cb -0.16 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1mdr s PRO 17 CO 0.13 -0.08 0.05 -0.51 0.04 0.00 0.00 177.00 176.63 1mdr s LEU 18 N -2.06 3.81 0.20 -3.56 1.43 -1.20 -4.82 118.68 112.48 1mdr s LEU 18 Ca 0.52 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1mdr s LEU 18 Cb -0.31 -1.93 0.23 0.00 0.03 0.00 0.00 46.19 44.20 1mdr s LEU 18 CO 0.39 0.26 1.79 0.00 0.23 0.00 0.00 176.35 179.02 1mdr h ALA 19 N 6.07 0.81 -3.12 4.21 0.00 -1.96 -3.38 119.26 121.90 1mdr h ALA 19 Ca -0.42 0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 1mdr h ALA 19 Cb 1.18 -0.07 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 1mdr h ALA 19 CO 0.64 -0.05 -0.80 0.71 0.00 0.00 0.00 179.25 179.76 1mdr s TYR 20 N -6.10 2.82 0.19 0.00 1.51 -1.26 -5.09 117.35 109.42 1mdr s TYR 20 Ca -0.13 -1.14 -0.31 0.00 -1.01 0.00 0.00 57.07 54.48 1mdr s TYR 20 Cb 0.16 -1.95 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 1mdr s TYR 20 CO 0.75 -0.56 1.45 -1.25 -1.11 0.00 0.00 175.55 174.82 1mdr s PRO 21 N 1.07 4.28 -0.82 -1.71 0.04 -1.26 -4.93 135.00 131.67 1mdr s PRO 21 Ca -0.00 2.23 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 1mdr s PRO 21 Cb -0.15 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1mdr s PRO 21 CO -0.04 -0.45 1.32 0.08 0.04 0.00 0.00 177.00 177.95 1mdr s VAL 22 N 0.60 3.78 -0.05 -0.36 1.01 -0.04 -4.82 120.40 120.53 1mdr s VAL 22 Ca 0.63 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1mdr s VAL 22 Cb -0.40 -4.96 -0.02 0.00 0.00 0.00 0.00 36.38 31.00 1mdr s VAL 22 CO 0.36 -1.88 0.96 -1.00 0.00 0.00 0.00 175.10 173.54 1mdr s HIS 23 N 5.51 3.59 0.27 5.22 3.76 -1.26 0.10 115.29 132.48 1mdr s HIS 23 Ca 0.38 1.61 0.04 0.00 -0.15 0.00 0.00 55.06 56.93 1mdr s HIS 23 Cb -0.06 -3.12 -0.06 0.00 1.11 0.00 0.00 32.58 30.46 1mdr s HIS 23 CO 0.08 -0.09 0.02 0.95 -0.85 0.00 0.00 174.74 174.85 1mdr s THR 24 N 1.41 1.11 0.42 1.30 -4.23 0.19 -0.12 115.64 115.73 1mdr s THR 24 Ca 0.49 -2.03 0.36 0.00 -1.18 0.00 0.00 61.69 59.33 1mdr s THR 24 Cb -0.20 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.46 1mdr s THR 24 CO 0.23 -0.17 2.10 0.00 -0.54 0.00 0.00 174.62 176.24 1mdr h ALA 25 N 2.31 1.04 -0.19 3.99 0.00 -1.84 -1.98 119.26 122.59 1mdr h ALA 25 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1mdr h ALA 25 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mdr h ALA 25 CO 0.66 -0.04 0.00 1.33 0.00 0.00 0.00 179.25 181.20 1mdr n VAL 26 N -2.81 1.88 0.00 0.00 0.24 -1.26 -5.01 118.33 111.37 1mdr n VAL 26 Ca -0.02 -1.76 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 1mdr n VAL 26 Cb 0.11 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1mdr n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mdr n GLY 27 N -0.55 3.37 3.40 7.63 0.00 -0.75 -5.11 105.19 113.18 1mdr n GLY 27 Ca 0.17 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 1mdr n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mdr s THR 28 N -2.00 2.66 -0.52 2.61 2.01 -1.26 0.56 115.64 119.70 1mdr s THR 28 Ca 0.00 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 1mdr s THR 28 Cb 0.00 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.57 1mdr s THR 28 CO 0.00 0.58 0.59 -0.69 -0.69 0.00 0.00 174.62 174.41 1mdr s VAL 29 N -0.53 4.96 -0.09 3.82 1.01 0.12 -4.93 120.40 124.75 1mdr s VAL 29 Ca 0.07 -0.79 0.15 0.00 0.00 0.00 0.00 61.98 61.41 1mdr s VAL 29 Cb -0.11 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.77 1mdr s VAL 29 CO 0.01 -0.83 0.71 0.61 0.00 0.00 0.00 175.10 175.60 1mdr n GLY 30 N 5.21 -1.10 3.42 4.51 0.00 -1.26 -0.86 105.19 115.11 1mdr n GLY 30 Ca -0.09 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1mdr n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mdr s THR 31 N -2.76 1.17 -0.41 2.61 -4.23 -1.26 -3.27 115.64 107.49 1mdr s THR 31 Ca -0.04 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1mdr s THR 31 Cb 0.08 -2.70 0.08 0.00 1.34 0.00 0.00 72.50 71.30 1mdr s THR 31 CO 0.82 -0.07 0.23 0.00 -0.54 0.00 0.00 174.62 175.06 1mdr s ALA 32 N -3.31 3.24 -0.46 3.99 0.00 0.74 -4.90 121.76 121.07 1mdr s ALA 32 Ca 0.35 -2.13 -0.28 0.00 0.00 0.00 0.00 51.96 49.90 1mdr s ALA 32 Cb 0.08 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 1mdr s ALA 32 CO 0.14 -1.62 1.57 -2.14 0.00 0.00 0.00 175.76 173.71 1mdr s PRO 33 N 1.40 3.31 0.12 0.00 0.02 -1.26 -1.35 135.00 137.24 1mdr s PRO 33 Ca 0.03 0.88 0.10 0.00 0.02 0.00 0.00 61.00 62.03 1mdr s PRO 33 Cb -0.22 -4.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.11 1mdr s PRO 33 CO 0.02 -1.90 -0.24 -0.51 -0.33 0.00 0.00 177.00 174.04 1mdr s LEU 34 N 6.47 2.46 -0.23 -5.54 1.43 -0.23 -1.24 118.68 121.80 1mdr s LEU 34 Ca 0.64 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1mdr s LEU 34 Cb -0.15 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1mdr s LEU 34 CO 0.29 0.18 -0.09 -0.69 0.23 0.00 0.00 176.35 176.27 1mdr s VAL 35 N -1.09 2.64 -0.01 -1.59 1.01 -0.83 -1.02 120.40 119.52 1mdr s VAL 35 Ca 0.15 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1mdr s VAL 35 Cb -0.10 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1mdr s VAL 35 CO 0.08 0.25 0.57 -0.76 0.00 0.00 0.00 175.10 175.23 1mdr s LEU 36 N 1.30 4.42 -0.04 3.92 1.43 0.63 -0.40 118.68 129.93 1mdr s LEU 36 Ca 0.00 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 1mdr s LEU 36 Cb -0.16 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1mdr s LEU 36 CO -0.06 0.12 -0.22 -0.63 0.23 0.00 0.00 176.35 175.79 1mdr s ILE 37 N -0.26 1.78 -0.16 -0.59 1.01 0.15 -1.75 121.20 121.38 1mdr s ILE 37 Ca 0.30 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1mdr s ILE 37 Cb -0.18 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1mdr s ILE 37 CO 0.16 0.50 -0.16 -1.81 0.00 0.00 0.00 174.94 173.64 1mdr s ASP 38 N -0.19 2.84 -0.29 3.58 1.01 -0.19 -2.35 116.67 121.08 1mdr s ASP 38 Ca -0.01 -0.55 -0.03 0.00 0.71 0.00 0.00 52.55 52.68 1mdr s ASP 38 Cb -0.12 -1.28 0.03 0.00 1.01 0.00 0.00 42.92 42.57 1mdr s ASP 38 CO 0.02 -0.04 0.01 -0.22 0.21 0.00 0.00 175.17 175.15 1mdr s LEU 39 N 1.42 3.70 0.23 1.23 2.96 -0.19 -0.93 118.68 127.10 1mdr s LEU 39 Ca 0.05 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.76 1mdr s LEU 39 Cb -0.13 -1.75 -0.08 0.00 0.50 0.00 0.00 46.19 44.73 1mdr s LEU 39 CO -0.11 -0.21 0.69 0.00 -1.32 0.00 0.00 176.35 175.40 1mdr s ALA 40 N 1.34 3.43 0.23 5.97 0.00 -0.20 -0.51 121.76 132.02 1mdr s ALA 40 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1mdr s ALA 40 Cb -0.18 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1mdr s ALA 40 CO -0.01 0.36 -0.06 0.95 0.00 0.00 0.00 175.76 177.00 1mdr s THR 41 N -1.61 1.38 0.27 0.00 -4.23 -0.90 -0.31 115.64 110.24 1mdr s THR 41 Ca 0.44 -2.10 0.33 0.00 -1.18 0.00 0.00 61.69 59.18 1mdr s THR 41 Cb -0.15 -2.26 0.36 0.00 1.34 0.00 0.00 72.50 71.79 1mdr s THR 41 CO 0.20 -0.42 2.04 0.77 -0.54 0.00 0.00 174.62 176.67 1mdr h SER 42 N 2.46 0.00 0.00 3.99 4.64 -1.11 -1.93 113.55 121.60 1mdr h SER 42 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1mdr h SER 42 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1mdr h SER 42 CO 0.65 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 1mdr n ALA 43 N -2.15 2.42 -1.55 5.18 0.00 -1.26 -4.86 120.51 118.28 1mdr n ALA 43 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1mdr n ALA 43 Cb 0.27 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1mdr n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdr n GLY 44 N 0.53 0.63 3.49 0.00 0.00 -0.73 -5.03 105.19 104.09 1mdr n GLY 44 Ca 0.15 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 1mdr n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mdr s VAL 45 N -2.31 2.70 -0.18 1.61 -7.23 -1.26 -4.98 120.40 108.74 1mdr s VAL 45 Ca 0.00 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1mdr s VAL 45 Cb 0.00 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.63 1mdr s VAL 45 CO 0.00 -0.13 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.79 1mdr s VAL 46 N -1.74 2.23 0.49 1.32 1.01 -1.26 -2.12 120.40 120.32 1mdr s VAL 46 Ca 0.23 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1mdr s VAL 46 Cb -0.08 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1mdr s VAL 46 CO 0.12 0.53 0.98 -0.83 0.00 0.00 0.00 175.10 175.90 1mdr s GLY 47 N 1.31 2.19 0.01 4.51 0.00 0.33 -4.77 107.32 110.91 1mdr s GLY 47 Ca 0.05 0.28 0.03 0.00 0.00 0.00 0.00 44.72 45.08 1mdr s GLY 47 CO -0.12 0.56 -0.09 0.30 0.00 0.00 0.00 173.10 173.75 1mdr s HIS 48 N -2.44 0.82 0.32 1.90 0.09 -1.26 -1.03 115.29 113.70 1mdr s HIS 48 Ca 0.60 -0.23 -0.12 0.00 -0.00 0.00 0.00 55.06 55.31 1mdr s HIS 48 Cb -0.10 -0.51 0.02 0.00 -0.00 0.00 0.00 32.58 31.99 1mdr s HIS 48 CO 0.25 -0.01 0.62 -1.54 -0.00 0.00 0.00 174.74 174.06 1mdr s SER 49 N -0.55 0.18 0.04 1.40 1.04 -0.99 -4.37 113.70 110.44 1mdr s SER 49 Ca 0.01 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 1mdr s SER 49 Cb -0.05 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1mdr s SER 49 CO 0.00 -1.40 -0.03 -0.72 0.98 0.00 0.00 173.24 172.07 1mdr s TYR 50 N -3.17 0.45 0.20 5.02 1.13 -1.26 -0.68 117.35 119.04 1mdr s TYR 50 Ca 0.20 -0.93 0.11 0.00 -1.41 0.00 0.00 57.07 55.04 1mdr s TYR 50 Cb -0.03 -0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 40.45 1mdr s TYR 50 CO 0.12 -0.34 -0.19 -0.51 -2.51 0.00 0.00 175.55 172.13 1mdr s LEU 51 N -2.57 2.62 -0.19 -3.49 1.43 0.46 -4.94 118.68 112.00 1mdr s LEU 51 Ca 0.01 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 1mdr s LEU 51 Cb 0.04 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1mdr s LEU 51 CO -0.08 0.10 -0.07 0.12 0.23 0.00 0.00 176.35 176.65 1mdr s PHE 52 N -1.80 2.92 -1.90 0.29 5.36 -1.26 -1.96 117.98 119.62 1mdr s PHE 52 Ca 0.23 -0.87 0.27 0.00 -0.96 0.00 0.00 56.93 55.60 1mdr s PHE 52 Cb -0.08 -2.02 0.82 0.00 -0.34 0.00 0.00 43.02 41.40 1mdr s PHE 52 CO 0.12 -0.45 1.61 0.00 -1.46 0.00 0.00 175.22 175.04 1mdr n ALA 53 N 4.40 2.97 0.00 11.12 0.00 -0.37 -4.98 120.51 133.65 1mdr n ALA 53 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1mdr n ALA 53 Cb 0.51 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1mdr n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mdr n TYR 54 N -0.49 0.00 -4.09 0.00 4.02 -1.26 -4.70 117.16 110.64 1mdr n TYR 54 Ca 0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.89 1mdr n TYR 54 Cb 0.35 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.55 1mdr n TYR 54 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1mdr s THR 55 N 0.00 0.54 0.43 -0.72 -1.32 -1.26 -4.84 115.64 108.47 1mdr s THR 55 Ca 0.00 -0.94 0.33 0.00 -1.21 0.00 0.00 61.69 59.87 1mdr s THR 55 Cb 0.00 -0.58 0.36 0.00 -1.51 0.00 0.00 72.50 70.76 1mdr s THR 55 CO 0.00 -0.29 2.14 -0.65 -2.21 0.00 0.00 174.62 173.62 1mdr h PRO 56 N 4.76 0.00 -0.51 7.08 0.11 -1.95 -2.48 132.00 139.01 1mdr h PRO 56 Ca -0.35 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.80 1mdr h PRO 56 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1mdr h PRO 56 CO 0.42 0.06 0.34 0.28 -0.21 0.00 0.00 178.00 178.89 1mdr h VAL 57 N 0.00 1.04 -0.02 3.15 2.07 -1.95 -2.40 116.25 118.14 1mdr h VAL 57 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1mdr h VAL 57 Cb 0.26 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1mdr h VAL 57 CO 0.01 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.59 1mdr n ALA 58 N -2.48 2.75 0.22 1.67 0.00 -0.93 -4.68 120.51 117.04 1mdr n ALA 58 Ca 0.06 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 1mdr n ALA 58 Cb 0.16 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1mdr n ALA 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1mdr h LEU 59 N 3.54 -0.47 -0.84 0.00 5.85 -1.48 -1.62 115.31 120.28 1mdr h LEU 59 Ca 0.00 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1mdr h LEU 59 Cb 0.82 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1mdr h LEU 59 CO 0.00 -0.14 -0.14 0.11 -0.34 0.00 0.00 178.44 177.93 1mdr h LYS 60 N -0.84 0.71 -0.68 1.25 1.57 -1.84 -1.92 116.57 114.82 1mdr h LYS 60 Ca -0.06 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1mdr h LYS 60 Cb 0.55 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1mdr h LYS 60 CO 0.09 0.82 0.44 1.03 -0.57 0.00 0.00 179.45 181.27 1mdr h SER 61 N 0.64 0.75 -0.42 0.86 0.87 -1.84 -0.94 113.55 113.47 1mdr h SER 61 Ca 0.11 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1mdr h SER 61 Cb 0.61 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1mdr h SER 61 CO 0.04 0.53 -0.12 0.25 -0.53 0.00 0.00 176.83 177.00 1mdr h LEU 62 N 0.88 0.84 -0.42 2.23 5.85 -0.75 -1.92 115.31 122.02 1mdr h LEU 62 Ca 0.26 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1mdr h LEU 62 Cb -0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1mdr h LEU 62 CO -0.08 1.02 0.28 0.50 -0.34 0.00 0.00 178.44 179.82 1mdr h LYS 63 N 0.65 0.56 -0.99 1.25 3.64 -1.20 -2.09 116.57 118.39 1mdr h LYS 63 Ca 0.10 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.55 1mdr h LYS 63 Cb 0.66 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1mdr h LYS 63 CO 0.05 0.37 0.63 0.37 -2.27 0.00 0.00 179.45 178.60 1mdr h GLN 64 N 0.57 1.01 -0.10 1.90 5.75 -0.97 -0.79 115.11 122.49 1mdr h GLN 64 Ca 0.16 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1mdr h GLN 64 Cb -0.07 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.25 1mdr h GLN 64 CO -0.03 0.67 -0.00 1.25 -2.65 0.00 0.00 178.83 178.06 1mdr h LEU 65 N 1.04 0.17 -0.69 -2.39 5.85 -0.95 0.65 115.31 118.98 1mdr h LEU 65 Ca 0.47 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1mdr h LEU 65 Cb 0.39 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1mdr h LEU 65 CO -0.24 0.45 0.45 -0.07 -0.34 0.00 0.00 178.44 178.68 1mdr h LEU 66 N -0.11 0.75 -1.38 2.25 3.38 -1.08 0.86 115.31 119.99 1mdr h LEU 66 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1mdr h LEU 66 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1mdr h LEU 66 CO 0.01 0.53 0.07 0.44 0.09 0.00 0.00 178.44 179.58 1mdr h ASP 67 N 0.89 0.44 1.98 -0.43 3.32 -1.03 -1.07 116.42 120.53 1mdr h ASP 67 Ca 0.26 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1mdr h ASP 67 Cb -0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1mdr h ASP 67 CO -0.08 0.46 0.00 0.44 -1.72 0.00 0.00 179.24 178.34 1mdr h ASP 68 N 0.47 0.00 1.30 6.45 3.32 -0.20 -3.24 116.42 124.52 1mdr h ASP 68 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1mdr h ASP 68 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1mdr h ASP 68 CO -0.00 0.00 -0.73 0.24 -1.72 0.00 0.00 179.24 177.03 1mdr h MET 69 N 0.00 0.00 -0.99 3.56 2.86 -0.05 -3.36 114.93 116.95 1mdr h MET 69 Ca 0.00 0.00 0.35 0.00 -2.06 0.00 0.00 59.70 57.99 1mdr h MET 69 Cb 0.99 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.48 1mdr h MET 69 CO 0.00 0.49 0.39 0.00 1.06 0.00 0.00 176.91 178.84 1mdr h ALA 70 N 1.45 1.82 -0.99 6.32 0.00 -1.25 -0.48 119.26 126.13 1mdr h ALA 70 Ca -0.04 0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1mdr h ALA 70 Cb 1.45 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.52 1mdr h ALA 70 CO 0.07 -0.77 0.62 0.00 0.00 0.00 0.00 179.25 179.16 1mdr h ALA 71 N 1.96 1.62 0.00 0.00 0.00 -1.81 -1.78 119.26 119.26 1mdr h ALA 71 Ca 0.75 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1mdr h ALA 71 Cb 1.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1mdr h ALA 71 CO -0.78 0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1mdr n MET 72 N -4.65 0.21 -0.00 0.00 0.00 -0.19 -3.85 117.12 108.64 1mdr n MET 72 Ca 0.20 0.18 0.05 0.00 0.00 0.00 0.00 57.70 58.14 1mdr n MET 72 Cb 0.45 -1.75 -0.07 0.00 0.00 0.00 0.00 33.22 31.85 1mdr n MET 72 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1mdr n ILE 73 N -2.12 0.00 -2.14 3.17 -5.35 -0.73 -4.87 119.36 107.32 1mdr n ILE 73 Ca 0.06 -0.24 -0.41 0.00 -0.27 0.00 0.00 62.75 61.89 1mdr n ILE 73 Cb 0.41 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 39.13 1mdr n ILE 73 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1mdr s VAL 74 N -2.22 2.84 -0.28 7.28 1.01 -0.82 -1.95 120.40 126.27 1mdr s VAL 74 Ca 0.03 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1mdr s VAL 74 Cb 0.08 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1mdr s VAL 74 CO 0.47 0.17 0.00 0.59 0.00 0.00 0.00 175.10 176.33 1mdr n ASN 75 N 1.39 -4.10 -4.87 3.32 3.02 0.12 -4.98 115.26 109.15 1mdr n ASN 75 Ca 0.02 0.07 -0.32 0.00 -0.03 0.00 0.00 54.58 54.31 1mdr n ASN 75 Cb 0.42 -1.83 -0.05 0.00 -0.61 0.00 0.00 39.78 37.70 1mdr n ASN 75 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1mdr s GLU 76 N -1.39 3.79 0.59 3.52 0.41 -0.82 -4.81 118.70 119.98 1mdr s GLU 76 Ca 0.00 0.24 -0.20 0.00 -0.41 0.00 0.00 54.97 54.60 1mdr s GLU 76 Cb 0.00 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 1mdr s GLU 76 CO 0.00 0.35 1.24 -2.30 -0.49 0.00 0.00 175.26 174.06 1mdr n PRO 77 N -0.02 1.30 -2.47 0.39 -0.02 -1.26 -1.07 135.00 131.86 1mdr n PRO 77 Ca -0.00 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 1mdr n PRO 77 Cb 0.52 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1mdr n PRO 77 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mdr s LEU 78 N -3.31 3.64 -0.37 2.45 2.96 -0.44 -4.73 118.68 118.87 1mdr s LEU 78 Ca 0.76 -2.17 0.02 0.00 -0.22 0.00 0.00 54.13 52.52 1mdr s LEU 78 Cb -0.41 -2.58 0.15 0.00 0.50 0.00 0.00 46.19 43.85 1mdr s LEU 78 CO 0.46 -1.61 0.30 0.00 -1.32 0.00 0.00 176.35 174.17 1mdr s ALA 79 N 5.77 0.57 0.28 5.97 0.00 -1.26 -5.00 121.76 128.09 1mdr s ALA 79 Ca 0.56 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1mdr s ALA 79 Cb 0.02 -1.75 0.64 0.00 0.00 0.00 0.00 23.12 22.03 1mdr s ALA 79 CO 0.07 -2.10 1.72 -1.35 0.00 0.00 0.00 175.76 174.10 1mdr h PRO 80 N 6.65 0.45 -0.44 0.00 0.11 -1.89 0.10 132.00 136.98 1mdr h PRO 80 Ca 0.10 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1mdr h PRO 80 Cb 0.98 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1mdr h PRO 80 CO 0.26 0.30 0.02 0.28 -0.21 0.00 0.00 178.00 178.65 1mdr h VAL 81 N 0.47 1.26 -0.40 3.15 2.07 -1.98 -0.50 116.25 120.30 1mdr h VAL 81 Ca 0.52 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1mdr h VAL 81 Cb 0.90 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1mdr h VAL 81 CO -0.47 0.34 -0.24 0.28 0.02 0.00 0.00 177.57 177.51 1mdr h SER 82 N 0.60 0.84 -0.70 0.57 0.02 -1.79 -2.64 113.55 110.45 1mdr h SER 82 Ca 0.13 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1mdr h SER 82 Cb 0.46 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1mdr h SER 82 CO 0.02 1.04 0.21 -0.07 -1.14 0.00 0.00 176.83 176.89 1mdr h LEU 83 N 0.71 1.03 -0.11 5.07 3.38 -0.84 -2.40 115.31 122.15 1mdr h LEU 83 Ca 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1mdr h LEU 83 Cb 0.76 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1mdr h LEU 83 CO 0.06 0.97 0.03 -0.08 0.09 0.00 0.00 178.44 179.51 1mdr h GLU 84 N 1.04 0.18 -0.99 1.13 4.22 -1.00 -0.43 114.58 118.74 1mdr h GLU 84 Ca 0.23 -0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.71 1mdr h GLU 84 Cb 0.31 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1mdr h GLU 84 CO -0.01 0.35 0.63 0.00 -2.18 0.00 0.00 179.01 177.81 1mdr h ALA 85 N 0.82 1.48 -0.35 2.92 0.00 -1.35 -0.19 119.26 122.58 1mdr h ALA 85 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1mdr h ALA 85 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mdr h ALA 85 CO 0.00 0.33 -0.06 1.98 0.00 0.00 0.00 179.25 181.50 1mdr h MET 86 N 1.07 0.66 -0.11 0.00 1.85 -1.15 -2.48 114.93 114.78 1mdr h MET 86 Ca 0.45 -0.24 -0.09 0.00 -0.61 0.00 0.00 59.70 59.20 1mdr h MET 86 Cb 0.31 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 1mdr h MET 86 CO -0.20 0.82 -0.36 -0.07 -0.40 0.00 0.00 176.91 176.69 1mdr h LEU 87 N 0.46 0.23 -0.93 3.39 3.38 -0.35 -1.11 115.31 120.37 1mdr h LEU 87 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1mdr h LEU 87 Cb 0.56 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1mdr h LEU 87 CO 0.03 0.57 0.56 0.00 0.09 0.00 0.00 178.44 179.69 1mdr h ALA 88 N 1.44 1.19 -0.22 1.53 0.00 -0.92 -1.44 119.26 120.85 1mdr h ALA 88 Ca 0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1mdr h ALA 88 Cb 0.73 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mdr h ALA 88 CO 0.06 0.65 -0.68 -0.22 0.00 0.00 0.00 179.25 179.06 1mdr h LYS 89 N 1.29 0.84 0.00 0.00 3.64 -1.07 -2.68 116.57 118.59 1mdr h LYS 89 Ca 0.33 -0.62 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1mdr h LYS 89 Cb -0.05 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1mdr h LYS 89 CO -0.06 1.24 -0.48 0.00 -2.27 0.00 0.00 179.45 177.87 1mdr h ARG 90 N 0.61 0.00 -0.52 1.90 2.47 -0.80 -2.92 114.38 115.11 1mdr h ARG 90 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1mdr h ARG 90 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1mdr h ARG 90 CO 0.14 0.48 0.00 1.19 0.56 0.00 0.00 179.97 182.35 1mdr n PHE 91 N -3.75 1.90 -0.33 3.04 3.72 -0.58 -4.59 117.46 116.87 1mdr n PHE 91 Ca -0.01 -0.76 -0.09 0.00 -0.05 0.00 0.00 57.45 56.55 1mdr n PHE 91 Cb 0.54 -0.48 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 1mdr n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mdr h LEU 93 N 0.00 0.81 -0.85 0.00 3.38 -1.84 -3.34 115.31 113.47 1mdr h LEU 93 Ca 0.13 -0.88 -0.07 0.00 0.09 0.00 0.00 57.88 57.14 1mdr h LEU 93 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1mdr h LEU 93 CO -0.73 1.69 0.05 0.00 0.09 0.00 0.00 178.44 179.54 1mdr h ALA 94 N 0.18 1.04 0.00 1.53 0.00 -1.80 -3.48 119.26 116.74 1mdr h ALA 94 Ca -0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mdr h ALA 94 Cb 2.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1mdr h ALA 94 CO 0.27 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.53 1mdr n GLY 95 N -0.64 2.30 2.78 0.00 0.00 0.19 -4.99 105.19 104.84 1mdr n GLY 95 Ca 0.03 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1mdr n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mdr n TYR 96 N 0.21 3.13 -3.68 1.61 9.36 -1.18 -4.80 117.16 121.82 1mdr n TYR 96 Ca 0.00 -2.87 -0.08 0.00 3.32 0.00 0.00 57.90 58.27 1mdr n TYR 96 Cb 0.00 -2.19 0.02 0.00 -0.63 0.00 0.00 39.34 36.54 1mdr n TYR 96 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1mdr n THR 97 N 3.96 0.00 -3.96 2.97 5.66 -1.26 -4.72 114.28 116.93 1mdr n THR 97 Ca 0.46 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1mdr n THR 97 Cb 0.37 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 1mdr n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mdr n GLY 98 N -0.44 2.59 0.33 1.09 0.00 -1.26 -2.55 105.19 104.96 1mdr n GLY 98 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1mdr n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mdr h LEU 99 N 0.00 0.77 -0.67 0.99 3.38 -1.99 -0.89 115.31 116.90 1mdr h LEU 99 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1mdr h LEU 99 Cb 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1mdr h LEU 99 CO 0.00 0.59 0.42 0.40 0.09 0.00 0.00 178.44 179.93 1mdr h ILE 100 N 0.89 1.19 -0.51 1.22 2.04 -1.83 -0.17 117.51 120.34 1mdr h ILE 100 Ca 0.24 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1mdr h ILE 100 Cb -0.05 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1mdr h ILE 100 CO -0.05 0.19 -0.12 -0.09 0.00 0.00 0.00 178.15 178.09 1mdr h ARG 101 N 0.91 0.97 -0.68 2.37 9.65 -0.92 -1.57 114.38 125.11 1mdr h ARG 101 Ca 0.24 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1mdr h ARG 101 Cb -0.05 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1mdr h ARG 101 CO -0.05 1.02 0.21 0.52 2.80 0.00 0.00 179.97 184.48 1mdr h MET 102 N 0.86 1.06 0.04 0.20 2.86 -0.92 -0.20 114.93 118.83 1mdr h MET 102 Ca 0.13 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1mdr h MET 102 Cb 0.66 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1mdr h MET 102 CO 0.05 0.92 -0.02 0.00 1.06 0.00 0.00 176.91 178.92 1mdr h ALA 103 N 1.09 -0.05 -0.75 6.32 0.00 -0.78 -2.04 119.26 123.06 1mdr h ALA 103 Ca 0.22 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1mdr h ALA 103 Cb 0.30 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1mdr h ALA 103 CO -0.01 -0.45 0.49 0.00 0.00 0.00 0.00 179.25 179.28 1mdr h ALA 104 N 0.76 1.70 -0.18 0.00 0.00 -0.98 -0.18 119.26 120.38 1mdr h ALA 104 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1mdr h ALA 104 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1mdr h ALA 104 CO 0.01 0.18 -0.32 0.00 0.00 0.00 0.00 179.25 179.11 1mdr h ALA 105 N 1.60 1.11 -0.61 0.00 0.00 -0.69 -1.25 119.26 119.41 1mdr h ALA 105 Ca 0.32 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1mdr h ALA 105 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1mdr h ALA 105 CO -0.11 0.56 0.02 0.78 0.00 0.00 0.00 179.25 180.50 1mdr h GLY 106 N 1.08 1.15 0.90 0.00 0.00 -0.33 -0.88 103.07 104.99 1mdr h GLY 106 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 1mdr h GLY 106 CO 0.06 0.77 0.09 -2.22 0.00 0.00 0.00 176.54 175.23 1mdr h ILE 107 N 0.97 1.18 -0.50 2.60 2.04 -1.07 -2.24 117.51 120.48 1mdr h ILE 107 Ca 0.18 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1mdr h ILE 107 Cb 0.54 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1mdr h ILE 107 CO 0.03 0.19 0.13 -0.78 0.00 0.00 0.00 178.15 177.72 1mdr h ASP 108 N 0.25 0.07 -0.13 1.72 3.58 -0.88 -0.02 116.42 121.00 1mdr h ASP 108 Ca 0.08 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1mdr h ASP 108 Cb 0.21 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1mdr h ASP 108 CO -0.00 0.06 -0.10 0.24 -2.88 0.00 0.00 179.24 176.56 1mdr h MET 109 N 0.28 0.46 0.01 0.28 2.86 -1.01 -1.29 114.93 116.53 1mdr h MET 109 Ca 0.25 -0.12 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 1mdr h MET 109 Cb 0.32 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1mdr h MET 109 CO -0.30 0.57 -0.93 0.00 1.06 0.00 0.00 176.91 177.31 1mdr h ALA 110 N 1.47 0.44 -0.02 6.32 0.00 -0.95 -2.57 119.26 123.95 1mdr h ALA 110 Ca 0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 1mdr h ALA 110 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1mdr h ALA 110 CO 0.02 0.91 -0.58 0.00 0.00 0.00 0.00 179.25 179.60 1mdr h ALA 111 N 0.89 1.00 0.06 0.00 0.00 -0.47 -0.71 119.26 120.03 1mdr h ALA 111 Ca -0.06 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.08 1mdr h ALA 111 Cb 1.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1mdr h ALA 111 CO 0.15 0.73 -1.09 -1.49 0.00 0.00 0.00 179.25 177.54 1mdr h TRP 112 N 0.05 0.31 -0.61 0.00 4.06 -1.28 -1.60 115.95 116.88 1mdr h TRP 112 Ca -0.01 -0.21 -0.02 0.00 2.06 0.00 0.00 58.89 60.71 1mdr h TRP 112 Cb 1.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 29.16 1mdr h TRP 112 CO 0.01 1.13 0.30 0.22 -3.56 0.00 0.00 178.44 176.54 1mdr h ASP 113 N 0.06 0.79 -0.21 -3.49 3.58 -1.17 -2.27 116.42 113.71 1mdr h ASP 113 Ca -0.08 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 1mdr h ASP 113 Cb 1.81 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.64 1mdr h ASP 113 CO 0.17 0.69 -0.13 0.00 -2.88 0.00 0.00 179.24 177.09 1mdr h ALA 114 N 1.13 1.13 -0.64 -0.78 0.00 -1.06 -1.72 119.26 117.32 1mdr h ALA 114 Ca 0.21 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1mdr h ALA 114 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mdr h ALA 114 CO -0.03 0.54 0.06 1.25 0.00 0.00 0.00 179.25 181.07 1mdr h LEU 115 N 0.56 1.05 -0.57 0.00 5.85 -1.03 -0.66 115.31 120.51 1mdr h LEU 115 Ca 0.10 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1mdr h LEU 115 Cb 0.55 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1mdr h LEU 115 CO 0.03 1.07 -0.14 1.23 -0.34 0.00 0.00 178.44 180.30 1mdr h GLY 116 N 1.02 1.08 0.92 3.75 0.00 -1.24 -2.13 103.07 106.46 1mdr h GLY 116 Ca 0.19 -0.89 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 1mdr h GLY 116 CO 0.02 0.81 0.08 0.50 0.00 0.00 0.00 176.54 177.95 1mdr h LYS 117 N 0.88 0.58 -0.81 4.80 1.57 -1.00 -0.05 116.57 122.54 1mdr h LYS 117 Ca 0.13 -0.15 0.17 0.00 -1.87 0.00 0.00 60.65 58.93 1mdr h LYS 117 Cb 0.70 -0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.83 1mdr h LYS 117 CO 0.05 0.64 0.33 0.28 -0.57 0.00 0.00 179.45 180.18 1mdr h VAL 118 N 0.43 0.59 -0.57 0.50 2.07 -1.08 -1.74 116.25 116.46 1mdr h VAL 118 Ca 0.11 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1mdr h VAL 118 Cb 0.33 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1mdr h VAL 118 CO 0.00 0.08 0.00 1.41 0.02 0.00 0.00 177.57 179.08 1mdr n HIS 119 N -5.02 1.04 -3.69 1.57 8.25 -0.81 -4.95 115.22 111.61 1mdr n HIS 119 Ca 0.17 -0.45 -0.28 0.00 -0.26 0.00 0.00 57.72 56.90 1mdr n HIS 119 Cb 0.49 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 1mdr n HIS 119 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1mdr n GLU 120 N 1.08 -3.44 -4.47 -0.41 1.02 -0.19 -4.96 120.64 109.27 1mdr n GLU 120 Ca 0.21 0.43 -0.20 0.00 -0.02 0.00 0.00 57.16 57.58 1mdr n GLU 120 Cb 0.64 -5.16 -0.14 0.00 -0.02 0.00 0.00 31.44 26.76 1mdr n GLU 120 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1mdr s THR 121 N -3.05 1.01 0.26 2.62 -1.32 -0.30 -4.68 115.64 110.17 1mdr s THR 121 Ca 0.53 -0.70 -0.28 0.00 -1.21 0.00 0.00 61.69 60.03 1mdr s THR 121 Cb -0.29 -0.87 -0.15 0.00 -1.51 0.00 0.00 72.50 69.69 1mdr s THR 121 CO 0.66 0.17 0.94 -2.65 -2.21 0.00 0.00 174.62 171.53 1mdr n PRO 122 N 2.45 1.10 -0.23 7.08 -0.02 -1.23 -0.60 135.00 143.55 1mdr n PRO 122 Ca -0.15 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1mdr n PRO 122 Cb 0.55 -1.71 0.13 0.00 -0.02 0.00 0.00 33.50 32.46 1mdr n PRO 122 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1mdr h LEU 123 N 1.94 0.43 -1.44 2.45 5.85 -0.97 -0.62 115.31 122.94 1mdr h LEU 123 Ca -0.38 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.52 1mdr h LEU 123 Cb 1.36 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 1mdr h LEU 123 CO 0.61 0.25 0.50 1.62 -0.34 0.00 0.00 178.44 181.08 1mdr h VAL 124 N 0.57 0.89 -0.01 1.05 3.04 -1.83 -1.21 116.25 118.75 1mdr h VAL 124 Ca 0.34 -0.21 -0.18 0.00 -1.01 0.00 0.00 66.70 65.64 1mdr h VAL 124 Cb 0.35 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 29.85 1mdr h VAL 124 CO -0.27 0.11 -0.79 0.11 -1.01 0.00 0.00 177.57 175.72 1mdr h LYS 125 N 0.60 0.13 -0.17 4.17 1.57 -1.19 -2.49 116.57 119.20 1mdr h LYS 125 Ca 0.36 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1mdr h LYS 125 Cb 0.59 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1mdr h LYS 125 CO -0.13 0.86 -0.27 1.25 -0.57 0.00 0.00 179.45 180.58 1mdr h LEU 126 N 0.08 0.31 0.00 2.94 5.85 -0.82 -1.88 115.31 121.79 1mdr h LEU 126 Ca -0.03 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1mdr h LEU 126 Cb 1.39 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1mdr h LEU 126 CO 0.12 0.59 0.00 0.18 -0.34 0.00 0.00 178.44 178.99 1mdr n LEU 127 N -4.13 0.00 0.00 2.25 4.77 -0.61 -4.94 117.00 114.35 1mdr n LEU 127 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1mdr n LEU 127 Cb 0.39 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1mdr n LEU 127 CO 0.41 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1mdr n GLY 128 N 1.23 0.95 3.57 -0.72 0.00 -0.71 -5.07 105.19 104.44 1mdr n GLY 128 Ca 0.15 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1mdr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdr s ALA 129 N -2.00 3.04 0.25 4.61 0.00 -0.96 -5.02 121.76 121.67 1mdr s ALA 129 Ca 0.00 -2.07 -0.18 0.00 0.00 0.00 0.00 51.96 49.71 1mdr s ALA 129 Cb 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 1mdr s ALA 129 CO 0.00 0.06 0.71 -0.80 0.00 0.00 0.00 175.76 175.73 1mdr s ASN 130 N -3.65 6.95 0.18 0.00 0.01 -1.26 -3.64 114.94 113.53 1mdr s ASN 130 Ca 0.33 1.34 -0.31 0.00 -0.71 0.00 0.00 52.86 53.52 1mdr s ASN 130 Cb 0.02 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.20 1mdr s ASN 130 CO 0.17 -0.03 1.40 0.00 -1.51 0.00 0.00 177.10 177.13 1mdr s ALA 131 N -1.66 3.60 0.08 0.60 0.00 -1.26 -4.83 121.76 118.29 1mdr s ALA 131 Ca 0.46 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.63 1mdr s ALA 131 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1mdr s ALA 131 CO 0.20 -0.64 -0.06 -0.98 0.00 0.00 0.00 175.76 174.28 1mdr s ARG 132 N 0.33 0.74 0.31 0.00 1.70 -1.26 -5.07 118.95 115.69 1mdr s ARG 132 Ca 0.61 -1.23 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 1mdr s ARG 132 Cb -0.39 -0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 33.78 1mdr s ARG 132 CO 0.36 -0.03 1.26 -2.14 -1.08 0.00 0.00 175.30 173.67 1mdr s PRO 133 N -3.55 4.43 -0.18 3.89 0.02 -1.26 -4.71 135.00 133.64 1mdr s PRO 133 Ca 0.08 2.10 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 1mdr s PRO 133 Cb 0.04 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.44 1mdr s PRO 133 CO -0.05 -0.10 -0.08 0.08 -0.33 0.00 0.00 177.00 176.52 1mdr s VAL 134 N -1.02 3.25 0.35 3.83 1.01 -0.80 -4.93 120.40 122.09 1mdr s VAL 134 Ca 0.49 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1mdr s VAL 134 Cb -0.38 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 33.46 1mdr s VAL 134 CO 0.48 0.47 1.54 0.00 0.00 0.00 0.00 175.10 177.59 1mdr s GLN 135 N 0.95 4.10 0.07 2.72 -2.07 -1.26 -0.58 119.66 123.58 1mdr s GLN 135 Ca -0.01 2.59 0.07 0.00 -1.82 0.00 0.00 55.36 56.19 1mdr s GLN 135 Cb -0.15 -2.98 -0.03 0.00 -1.09 0.00 0.00 33.01 28.76 1mdr s GLN 135 CO -0.00 -0.59 -0.19 0.00 -1.32 0.00 0.00 175.29 173.19 1mdr s ALA 136 N -0.71 1.64 0.19 2.60 0.00 -0.53 -0.46 121.76 124.49 1mdr s ALA 136 Ca 0.57 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.53 1mdr s ALA 136 Cb -0.47 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1mdr s ALA 136 CO 0.58 0.34 -0.09 1.52 0.00 0.00 0.00 175.76 178.10 1mdr s TYR 137 N -0.99 2.62 -0.20 0.00 -0.85 -0.51 -4.45 117.35 112.98 1mdr s TYR 137 Ca 0.05 -0.23 -0.13 0.00 -0.52 0.00 0.00 57.07 56.24 1mdr s TYR 137 Cb -0.09 -1.27 -0.05 0.00 0.38 0.00 0.00 41.96 40.94 1mdr s TYR 137 CO 0.03 0.53 0.27 0.34 -1.52 0.00 0.00 175.55 175.20 1mdr s ASP 138 N -2.92 6.33 -0.32 -0.18 2.15 -0.38 -1.87 116.67 119.49 1mdr s ASP 138 Ca 0.25 0.38 -0.12 0.00 0.43 0.00 0.00 52.55 53.50 1mdr s ASP 138 Cb -0.08 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1mdr s ASP 138 CO 0.15 0.05 0.23 -0.55 -0.17 0.00 0.00 175.17 174.88 1mdr s SER 139 N 0.76 6.04 0.00 -0.34 0.15 -0.87 -1.65 113.70 117.80 1mdr s SER 139 Ca 0.14 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1mdr s SER 139 Cb -0.13 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1mdr s SER 139 CO 0.04 -0.19 0.00 1.41 1.20 0.00 0.00 173.24 175.71 1mdr n HIS 140 N 5.09 -0.17 -2.69 3.44 8.25 -0.42 -4.86 115.22 123.86 1mdr n HIS 140 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1mdr n HIS 140 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1mdr n HIS 140 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1mdr n SER 141 N -0.89 0.92 -4.57 0.41 3.41 -1.26 -4.40 113.62 107.24 1mdr n SER 141 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1mdr n SER 141 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1mdr n SER 141 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1mdr s LEU 142 N 0.00 3.45 0.00 1.04 2.96 0.83 -2.59 118.68 124.37 1mdr s LEU 142 Ca 0.00 -1.74 0.20 0.00 -0.22 0.00 0.00 54.13 52.37 1mdr s LEU 142 Cb 0.00 -2.58 0.30 0.00 0.50 0.00 0.00 46.19 44.41 1mdr s LEU 142 CO 0.00 -1.98 1.25 0.47 -1.32 0.00 0.00 176.35 174.76 1mdr n ASP 143 N 10.91 3.01 -0.52 3.68 8.00 -1.26 -4.78 116.55 135.59 1mdr n ASP 143 Ca 0.43 -1.89 0.06 0.00 0.71 0.00 0.00 54.79 54.09 1mdr n ASP 143 Cb 0.47 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1mdr n ASP 143 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mdr n GLY 144 N 1.18 -2.94 0.46 0.44 0.00 -1.26 -3.93 105.19 99.14 1mdr n GLY 144 Ca 0.15 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 1mdr n GLY 144 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mdr h VAL 145 N -0.45 0.00 0.45 1.61 2.07 -1.94 -1.39 116.25 116.61 1mdr h VAL 145 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1mdr h VAL 145 Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1mdr h VAL 145 CO 0.02 0.00 -0.22 0.50 0.02 0.00 0.00 177.57 177.90 1mdr h LYS 146 N -0.64 -0.59 -0.56 1.57 3.64 -1.99 -1.29 116.57 116.71 1mdr h LYS 146 Ca 0.01 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1mdr h LYS 146 Cb 0.69 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1mdr h LYS 146 CO -0.35 -0.30 0.27 1.25 -2.27 0.00 0.00 179.45 178.05 1mdr h LEU 147 N -0.82 0.71 -0.69 5.20 5.85 -1.68 -0.11 115.31 123.77 1mdr h LEU 147 Ca -0.06 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.45 1mdr h LEU 147 Cb 0.56 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1mdr h LEU 147 CO 0.10 0.61 -0.54 0.00 -0.34 0.00 0.00 178.44 178.27 1mdr h ALA 148 N 1.51 0.87 -0.40 1.25 0.00 -1.16 -1.19 119.26 120.14 1mdr h ALA 148 Ca 0.20 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1mdr h ALA 148 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mdr h ALA 148 CO -0.03 0.69 -0.35 1.15 0.00 0.00 0.00 179.25 180.71 1mdr h THR 149 N 0.25 1.27 0.03 0.00 2.02 -0.89 -2.50 112.91 113.10 1mdr h THR 149 Ca 0.00 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.66 1mdr h THR 149 Cb 1.03 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1mdr h THR 149 CO 0.09 0.51 -0.01 -0.33 0.37 0.00 0.00 175.52 176.15 1mdr h GLU 150 N 0.77 -0.04 0.00 6.66 5.08 -0.71 -1.80 114.58 124.54 1mdr h GLU 150 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1mdr h GLU 150 Cb 0.94 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1mdr h GLU 150 CO 0.09 0.11 -0.12 0.00 -1.00 0.00 0.00 179.01 178.09 1mdr h ARG 151 N -0.18 0.00 0.05 2.33 3.08 -1.28 -1.88 114.38 116.50 1mdr h ARG 151 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 1mdr h ARG 151 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1mdr h ARG 151 CO 0.01 0.12 -1.08 0.00 -1.07 0.00 0.00 179.97 177.95 1mdr h ALA 152 N 1.88 0.20 -0.23 0.04 0.00 -1.10 -1.93 119.26 118.11 1mdr h ALA 152 Ca -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 1mdr h ALA 152 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1mdr h ALA 152 CO 0.02 0.79 -0.01 0.28 0.00 0.00 0.00 179.25 180.33 1mdr h VAL 153 N 0.25 1.26 -0.55 0.00 2.07 -0.71 -1.97 116.25 116.60 1mdr h VAL 153 Ca -0.12 -0.91 0.10 0.00 0.82 0.00 0.00 66.70 66.59 1mdr h VAL 153 Cb 1.74 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 1mdr h VAL 153 CO 0.19 0.28 0.06 0.74 0.02 0.00 0.00 177.57 178.87 1mdr h THR 154 N 0.19 0.62 -0.57 2.57 2.02 -1.38 -1.30 112.91 115.06 1mdr h THR 154 Ca 0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1mdr h THR 154 Cb 0.42 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1mdr h THR 154 CO 0.01 0.03 0.32 0.00 0.37 0.00 0.00 175.52 176.26 1mdr h ALA 155 N 1.46 0.73 -0.22 6.16 0.00 -1.18 -1.16 119.26 125.05 1mdr h ALA 155 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1mdr h ALA 155 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mdr h ALA 155 CO -0.41 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.02 1mdr h ALA 156 N 1.15 1.51 0.00 0.00 0.00 -1.01 -1.15 119.26 119.76 1mdr h ALA 156 Ca 0.20 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1mdr h ALA 156 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mdr h ALA 156 CO -0.03 0.35 -0.45 0.93 0.00 0.00 0.00 179.25 180.05 1mdr h GLU 157 N 0.33 0.00 -0.06 0.00 5.08 -0.54 -0.91 114.58 118.48 1mdr h GLU 157 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1mdr h GLU 157 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1mdr h GLU 157 CO 0.01 0.45 0.00 1.28 -1.00 0.00 0.00 179.01 179.75 1mdr n LEU 158 N -3.98 0.51 0.00 1.33 4.77 -0.50 -4.91 117.00 114.22 1mdr n LEU 158 Ca -0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1mdr n LEU 158 Cb 0.47 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1mdr n LEU 158 CO 0.40 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1mdr n GLY 159 N 0.86 0.28 3.77 -0.72 0.00 -0.35 -4.49 105.19 104.54 1mdr n GLY 159 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1mdr n GLY 159 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mdr s PHE 160 N -2.09 2.79 -1.66 1.61 0.08 -0.47 -2.72 117.98 115.52 1mdr s PHE 160 Ca 0.00 1.50 0.16 0.00 0.12 0.00 0.00 56.93 58.72 1mdr s PHE 160 Cb 0.00 -3.46 0.34 0.00 -0.57 0.00 0.00 43.02 39.32 1mdr s PHE 160 CO 0.00 -1.75 1.25 0.54 -0.10 0.00 0.00 175.22 175.16 1mdr n ARG 161 N -0.52 2.25 -3.56 0.44 1.74 -1.26 -4.19 116.66 111.56 1mdr n ARG 161 Ca 0.07 -2.02 -0.15 0.00 -0.77 0.00 0.00 57.85 54.99 1mdr n ARG 161 Cb 0.47 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 1mdr n ARG 161 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mdr s ALA 162 N -1.15 -1.83 0.14 7.54 0.00 -1.26 -0.97 121.76 124.23 1mdr s ALA 162 Ca 0.29 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.85 1mdr s ALA 162 Cb 0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1mdr s ALA 162 CO 0.23 -0.34 -0.12 0.14 0.00 0.00 0.00 175.76 175.66 1mdr s VAL 163 N -0.80 1.31 -0.15 0.00 -7.23 -0.70 -1.25 120.40 111.58 1mdr s VAL 163 Ca -0.06 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1mdr s VAL 163 Cb -0.01 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 1mdr s VAL 163 CO 0.05 -0.58 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.35 1mdr s LYS 164 N -3.25 3.21 0.22 4.82 2.20 -0.66 -0.84 119.74 125.45 1mdr s LYS 164 Ca 0.14 -0.75 0.09 0.00 -0.36 0.00 0.00 55.97 55.08 1mdr s LYS 164 Cb -0.01 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 1mdr s LYS 164 CO 0.02 0.01 -0.01 -0.08 -0.36 0.00 0.00 175.35 174.94 1mdr s THR 165 N 0.82 3.56 -0.06 3.43 -1.32 -0.24 -1.30 115.64 120.52 1mdr s THR 165 Ca -0.05 -1.68 -0.11 0.00 -1.21 0.00 0.00 61.69 58.64 1mdr s THR 165 Cb -0.15 -2.85 -0.05 0.00 -1.51 0.00 0.00 72.50 67.94 1mdr s THR 165 CO -0.00 -0.24 0.28 -0.54 -2.21 0.00 0.00 174.62 171.91 1mdr s LYS 166 N -3.31 3.74 0.00 7.08 3.01 -1.07 -1.24 119.74 127.95 1mdr s LYS 166 Ca 0.29 0.16 0.00 0.00 -1.01 0.00 0.00 55.97 55.41 1mdr s LYS 166 Cb -0.08 -3.22 0.00 0.00 -1.01 0.00 0.00 37.83 33.52 1mdr s LYS 166 CO 0.19 0.70 0.00 0.44 0.51 0.00 0.00 175.35 177.19 1mdr n ILE 167 N 2.01 0.00 0.00 2.17 -5.35 -0.31 -4.27 119.36 113.61 1mdr n ILE 167 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1mdr n ILE 167 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1mdr n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mdr n GLY 168 N 2.15 0.58 3.94 3.28 0.00 -1.26 -4.33 105.19 109.55 1mdr n GLY 168 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1mdr n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mdr s TYR 169 N -0.97 2.68 0.51 1.61 2.02 -1.26 -4.79 117.35 117.15 1mdr s TYR 169 Ca 0.00 0.28 0.20 0.00 -0.37 0.00 0.00 57.07 57.18 1mdr s TYR 169 Cb 0.00 -3.17 1.29 0.00 -0.40 0.00 0.00 41.96 39.69 1mdr s TYR 169 CO 0.00 -1.44 2.07 -1.35 -1.57 0.00 0.00 175.55 173.26 1mdr h PRO 170 N -0.55 0.05 -5.77 -1.71 0.11 -2.00 -3.42 132.00 118.71 1mdr h PRO 170 Ca -0.43 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.13 1mdr h PRO 170 Cb 1.30 -0.01 -0.28 0.00 0.11 0.00 0.00 31.00 32.12 1mdr h PRO 170 CO 0.55 0.03 -0.83 0.00 -0.21 0.00 0.00 178.00 177.54 1mdr s ALA 171 N -5.08 1.53 0.38 -0.75 0.00 -1.26 -5.02 121.76 111.54 1mdr s ALA 171 Ca -0.05 -0.85 0.14 0.00 0.00 0.00 0.00 51.96 51.20 1mdr s ALA 171 Cb 0.18 -0.35 0.98 0.00 0.00 0.00 0.00 23.12 23.94 1mdr s ALA 171 CO 0.70 0.36 1.80 1.25 0.00 0.00 0.00 175.76 179.87 1mdr h LEU 172 N 5.40 0.54 -1.58 0.00 5.85 -2.01 -0.91 115.31 122.61 1mdr h LEU 172 Ca -0.39 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1mdr h LEU 172 Cb 1.15 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1mdr h LEU 172 CO 0.47 0.17 0.35 0.44 -0.34 0.00 0.00 178.44 179.53 1mdr h ASP 173 N 0.51 0.47 -0.42 1.25 3.32 -1.96 -1.45 116.42 118.15 1mdr h ASP 173 Ca 0.55 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.45 1mdr h ASP 173 Cb 1.21 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1mdr h ASP 173 CO -0.28 0.31 -0.32 1.56 -1.72 0.00 0.00 179.24 178.79 1mdr h GLN 174 N 0.54 0.95 -0.18 3.56 4.20 -1.55 -1.59 115.11 121.05 1mdr h GLN 174 Ca 0.22 -0.47 0.04 0.00 0.06 0.00 0.00 58.65 58.50 1mdr h GLN 174 Cb 0.20 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1mdr h GLN 174 CO -0.06 1.13 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.75 1mdr h ASP 175 N 0.79 -0.17 0.40 1.46 3.32 -1.36 -2.55 116.42 118.31 1mdr h ASP 175 Ca 0.08 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1mdr h ASP 175 Cb 0.91 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1mdr h ASP 175 CO 0.08 -0.06 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.01 1mdr h LEU 176 N 0.00 0.09 -0.16 1.55 3.38 -1.24 -2.72 115.31 116.21 1mdr h LEU 176 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1mdr h LEU 176 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1mdr h LEU 176 CO -0.19 0.55 0.10 0.00 0.09 0.00 0.00 178.44 178.99 1mdr h ALA 177 N 1.46 0.20 -0.09 1.53 0.00 -0.90 -0.66 119.26 120.80 1mdr h ALA 177 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1mdr h ALA 177 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1mdr h ALA 177 CO 0.06 -0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.28 1mdr h VAL 178 N 0.20 0.93 -0.70 0.00 2.07 -1.40 -0.09 116.25 117.26 1mdr h VAL 178 Ca 0.06 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1mdr h VAL 178 Cb -0.00 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1mdr h VAL 178 CO -0.01 0.00 0.46 0.58 0.02 0.00 0.00 177.57 178.62 1mdr h VAL 179 N 0.02 1.18 -0.34 2.57 2.07 -1.26 -2.25 116.25 118.23 1mdr h VAL 179 Ca 0.04 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1mdr h VAL 179 Cb 0.05 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1mdr h VAL 179 CO -0.08 0.17 -0.06 0.03 0.02 0.00 0.00 177.57 177.66 1mdr h ARG 180 N 0.94 0.64 -0.62 1.57 3.08 -0.76 -0.68 114.38 118.55 1mdr h ARG 180 Ca 0.26 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1mdr h ARG 180 Cb -0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1mdr h ARG 180 CO -0.06 0.80 0.18 1.03 -1.07 0.00 0.00 179.97 180.84 1mdr h SER 181 N 0.44 0.89 -0.09 7.04 0.87 -0.94 0.27 113.55 122.02 1mdr h SER 181 Ca 0.09 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1mdr h SER 181 Cb 0.54 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1mdr h SER 181 CO 0.03 0.85 -0.05 0.40 -0.53 0.00 0.00 176.83 177.53 1mdr h ILE 182 N 0.92 1.33 -0.84 2.23 2.04 -1.24 -2.33 117.51 119.61 1mdr h ILE 182 Ca 0.20 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.05 1mdr h ILE 182 Cb 0.29 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1mdr h ILE 182 CO -0.01 0.30 0.51 -0.09 0.00 0.00 0.00 178.15 178.87 1mdr h ARG 183 N -0.18 0.90 -0.55 2.37 9.65 -0.77 -0.52 114.38 125.28 1mdr h ARG 183 Ca 0.02 -0.05 0.11 0.00 -1.10 0.00 0.00 59.98 58.96 1mdr h ARG 183 Cb 0.50 -0.20 -0.10 0.00 -1.39 0.00 0.00 29.97 28.78 1mdr h ARG 183 CO 0.01 0.60 -0.06 1.96 2.80 0.00 0.00 179.97 185.28 1mdr h GLN 184 N 0.93 0.06 0.12 0.20 4.20 -0.90 0.27 115.11 119.99 1mdr h GLN 184 Ca 0.37 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.79 1mdr h GLN 184 Cb 0.20 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.99 1mdr h GLN 184 CO -0.18 0.04 -1.23 0.00 -0.67 0.00 0.00 178.83 176.78 1mdr h ALA 185 N 1.52 0.04 -0.01 3.87 0.00 -0.72 -3.36 119.26 120.60 1mdr h ALA 185 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mdr h ALA 185 Cb 0.43 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1mdr h ALA 185 CO -0.51 0.75 -0.55 1.33 0.00 0.00 0.00 179.25 180.27 1mdr n VAL 186 N -3.74 0.00 -0.09 0.00 0.24 -0.30 -5.01 118.33 109.43 1mdr n VAL 186 Ca -0.12 -0.22 0.01 0.00 -2.04 0.00 0.00 64.34 61.96 1mdr n VAL 186 Cb 0.99 1.22 -0.00 0.00 -1.47 0.00 0.00 33.84 34.57 1mdr n VAL 186 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mdr n GLY 187 N 1.43 -2.23 0.04 7.63 0.00 0.92 -4.48 105.19 108.51 1mdr n GLY 187 Ca 0.08 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.73 1mdr n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mdr n ASP 188 N -2.44 0.22 0.09 1.61 8.00 -1.26 -2.73 116.55 120.03 1mdr n ASP 188 Ca -0.00 0.56 -0.08 0.00 0.71 0.00 0.00 54.79 55.98 1mdr n ASP 188 Cb 0.04 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 1mdr n ASP 188 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1mdr h ASP 189 N 0.00 0.22 -4.01 -2.24 3.32 -1.96 -3.47 116.42 108.28 1mdr h ASP 189 Ca 0.00 -0.17 -0.50 0.00 0.02 0.00 0.00 57.03 56.38 1mdr h ASP 189 Cb 0.27 -0.07 0.05 0.00 0.22 0.00 0.00 39.33 39.81 1mdr h ASP 189 CO 0.00 0.96 0.45 0.12 -1.72 0.00 0.00 179.24 179.05 1mdr s PHE 190 N -3.25 2.95 -0.02 4.55 5.36 -1.10 -5.01 117.98 121.46 1mdr s PHE 190 Ca -0.03 1.57 -0.28 0.00 -0.96 0.00 0.00 56.93 57.23 1mdr s PHE 190 Cb 0.10 -3.27 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 1mdr s PHE 190 CO 0.82 -1.23 0.92 0.20 -1.46 0.00 0.00 175.22 174.46 1mdr s GLY 191 N -1.53 2.83 -0.23 13.12 0.00 -0.15 -4.97 107.32 116.39 1mdr s GLY 191 Ca 0.64 0.44 0.02 0.00 0.00 0.00 0.00 44.72 45.82 1mdr s GLY 191 CO 0.30 1.58 -0.14 -0.42 0.00 0.00 0.00 173.10 174.43 1mdr s ILE 192 N 0.99 2.09 0.03 0.90 1.01 -1.26 -1.72 121.20 123.24 1mdr s ILE 192 Ca 0.49 -1.37 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1mdr s ILE 192 Cb -0.20 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1mdr s ILE 192 CO 0.25 0.16 0.22 -0.04 0.00 0.00 0.00 174.94 175.54 1mdr s MET 193 N 1.18 3.47 -0.00 2.79 -1.94 -0.02 -0.30 119.30 124.49 1mdr s MET 193 Ca -0.04 -0.32 0.05 0.00 -1.71 0.00 0.00 55.69 53.67 1mdr s MET 193 Cb -0.18 -3.05 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 1mdr s MET 193 CO -0.08 0.63 -0.17 0.14 -0.01 0.00 0.00 175.02 175.53 1mdr s VAL 194 N -1.42 1.35 -0.14 -6.03 -7.23 -1.00 -1.08 120.40 104.84 1mdr s VAL 194 Ca 0.32 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1mdr s VAL 194 Cb -0.13 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.69 1mdr s VAL 194 CO 0.23 0.32 -0.14 -0.62 -0.31 0.00 0.00 175.10 174.57 1mdr s ASP 195 N -0.57 2.64 0.06 4.85 -1.08 -0.37 -0.94 116.67 121.25 1mdr s ASP 195 Ca 0.06 -0.47 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 1mdr s ASP 195 Cb -0.07 -1.16 0.35 0.00 -1.46 0.00 0.00 42.92 40.58 1mdr s ASP 195 CO -0.00 -0.05 1.30 -1.22 0.52 0.00 0.00 175.17 175.72 1mdr n TYR 196 N 4.71 0.28 -4.00 -5.34 4.01 -0.27 -1.16 117.16 115.39 1mdr n TYR 196 Ca -0.17 0.08 -0.29 0.00 -0.16 0.00 0.00 57.90 57.36 1mdr n TYR 196 Cb 0.50 -0.46 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1mdr n TYR 196 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1mdr n ASN 197 N -1.85 -2.13 -0.98 7.72 4.13 -1.19 -1.84 115.26 119.13 1mdr n ASN 197 Ca 0.04 -0.95 -0.13 0.00 1.68 0.00 0.00 54.58 55.22 1mdr n ASN 197 Cb 0.40 -3.23 -0.05 0.00 -1.54 0.00 0.00 39.78 35.36 1mdr n ASN 197 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mdr n GLN 198 N -4.44 -0.89 0.00 3.52 6.02 0.55 -4.64 117.38 117.50 1mdr n GLN 198 Ca -0.13 0.95 0.14 0.00 -0.01 0.00 0.00 57.00 57.95 1mdr n GLN 198 Cb 0.60 -5.00 0.50 0.00 1.02 0.00 0.00 30.24 27.36 1mdr n GLN 198 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1mdr n SER 199 N -0.07 0.87 -4.60 1.08 3.41 -0.76 -3.90 113.62 109.64 1mdr n SER 199 Ca -0.13 -0.87 -0.23 0.00 -0.26 0.00 0.00 58.87 57.38 1mdr n SER 199 Cb 0.42 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 1mdr n SER 199 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1mdr s LEU 200 N -2.40 3.04 0.54 1.04 1.43 -0.55 -5.04 118.68 116.74 1mdr s LEU 200 Ca 0.29 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1mdr s LEU 200 Cb 0.20 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1mdr s LEU 200 CO 0.47 0.02 0.80 1.51 0.23 0.00 0.00 176.35 179.39 1mdr s ASP 201 N -3.57 5.56 0.16 2.29 1.47 -1.26 -4.17 116.67 117.16 1mdr s ASP 201 Ca 0.31 0.41 -0.15 0.00 1.18 0.00 0.00 52.55 54.30 1mdr s ASP 201 Cb -0.06 -1.45 0.09 0.00 -0.34 0.00 0.00 42.92 41.15 1mdr s ASP 201 CO 0.18 -0.99 1.77 0.58 0.68 0.00 0.00 175.17 177.39 1mdr h VAL 202 N 0.04 0.93 -0.66 2.11 2.07 -1.93 0.72 116.25 119.53 1mdr h VAL 202 Ca -0.45 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1mdr h VAL 202 Cb 1.27 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1mdr h VAL 202 CO 0.58 0.07 0.39 -0.65 0.02 0.00 0.00 177.57 177.98 1mdr h PRO 203 N 0.37 0.72 -0.55 1.57 0.11 -1.99 -0.78 132.00 131.45 1mdr h PRO 203 Ca 0.19 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 1mdr h PRO 203 Cb 0.13 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1mdr h PRO 203 CO -0.16 0.48 -0.01 0.00 -0.21 0.00 0.00 178.00 178.09 1mdr h ALA 204 N 1.31 0.94 -0.12 -0.75 0.00 -1.83 -2.10 119.26 116.70 1mdr h ALA 204 Ca 0.28 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1mdr h ALA 204 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mdr h ALA 204 CO -0.14 0.64 -0.56 0.00 0.00 0.00 0.00 179.25 179.19 1mdr h ALA 205 N 1.10 0.82 -0.42 0.00 0.00 -0.18 -0.51 119.26 120.07 1mdr h ALA 205 Ca 0.16 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1mdr h ALA 205 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1mdr h ALA 205 CO 0.03 0.69 0.07 0.82 0.00 0.00 0.00 179.25 180.86 1mdr h ILE 206 N 0.29 1.24 -0.17 0.00 2.04 -0.81 -1.03 117.51 119.08 1mdr h ILE 206 Ca 0.00 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1mdr h ILE 206 Cb 1.06 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1mdr h ILE 206 CO 0.09 0.31 0.02 0.50 0.00 0.00 0.00 178.15 179.07 1mdr h LYS 207 N 0.56 0.28 -0.27 2.37 3.64 -1.14 -2.49 116.57 119.52 1mdr h LYS 207 Ca 0.13 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1mdr h LYS 207 Cb 0.38 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1mdr h LYS 207 CO 0.01 0.45 -0.51 0.00 -2.27 0.00 0.00 179.45 177.13 1mdr h ARG 208 N 0.06 0.77 -0.32 1.90 3.08 -1.09 -2.96 114.38 115.81 1mdr h ARG 208 Ca 0.05 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.53 1mdr h ARG 208 Cb 0.31 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1mdr h ARG 208 CO 0.00 1.09 -0.24 0.77 -1.07 0.00 0.00 179.97 180.53 1mdr h SER 209 N 0.60 0.64 0.02 7.04 0.02 -1.19 -1.23 113.55 119.45 1mdr h SER 209 Ca 0.02 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 1mdr h SER 209 Cb 1.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1mdr h SER 209 CO 0.11 0.86 -0.32 1.56 -1.14 0.00 0.00 176.83 177.90 1mdr h GLN 210 N 0.55 0.43 -0.21 3.45 4.20 -1.45 0.84 115.11 122.92 1mdr h GLN 210 Ca 0.08 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1mdr h GLN 210 Cb 0.70 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1mdr h GLN 210 CO 0.05 0.70 0.07 0.00 -0.67 0.00 0.00 178.83 178.99 1mdr h ALA 211 N 1.29 0.28 -0.17 3.87 0.00 -1.29 -2.85 119.26 120.39 1mdr h ALA 211 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1mdr h ALA 211 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1mdr h ALA 211 CO 0.06 -0.10 -0.03 -0.07 0.00 0.00 0.00 179.25 179.11 1mdr h LEU 212 N 0.17 0.23 -0.92 0.00 3.38 -1.04 -1.97 115.31 115.17 1mdr h LEU 212 Ca 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1mdr h LEU 212 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1mdr h LEU 212 CO -0.00 0.31 -0.04 -0.61 0.09 0.00 0.00 178.44 178.18 1mdr h GLN 213 N 0.25 0.74 0.00 1.13 4.15 -0.76 -0.80 115.11 119.82 1mdr h GLN 213 Ca 0.06 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 1mdr h GLN 213 Cb 0.23 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1mdr h GLN 213 CO 0.01 0.78 -0.01 1.96 -1.93 0.00 0.00 178.83 179.64 1mdr h GLN 214 N 0.69 0.00 -0.00 1.69 7.50 -1.11 -2.01 115.11 121.86 1mdr h GLN 214 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1mdr h GLN 214 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1mdr h GLN 214 CO 0.03 0.01 -0.20 0.39 -1.50 0.00 0.00 178.83 177.56 1mdr n GLU 215 N -3.11 0.23 -1.64 1.46 -0.58 -0.33 -4.98 120.64 111.69 1mdr n GLU 215 Ca -0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1mdr n GLU 215 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1mdr n GLU 215 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mdr n GLY 216 N 1.43 0.91 3.81 0.62 0.00 -0.76 -5.04 105.19 106.16 1mdr n GLY 216 Ca 0.09 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1mdr n GLY 216 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mdr s VAL 217 N -2.41 3.93 0.04 1.61 -7.23 -1.24 -4.76 120.40 110.35 1mdr s VAL 217 Ca 0.00 0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 60.83 1mdr s VAL 217 Cb 0.00 -3.43 -0.16 0.00 0.56 0.00 0.00 36.38 33.34 1mdr s VAL 217 CO 0.00 -0.56 1.48 0.74 -0.31 0.00 0.00 175.10 176.46 1mdr h THR 218 N 0.43 1.22 -3.26 5.32 2.02 -1.04 -3.48 112.91 114.14 1mdr h THR 218 Ca -0.47 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1mdr h THR 218 Cb 1.21 1.60 -0.12 0.00 -1.74 0.00 0.00 68.15 69.11 1mdr h THR 218 CO 0.58 0.18 0.03 -1.66 0.37 0.00 0.00 175.52 175.03 1mdr s TRP 219 N -5.09 -0.28 -0.18 3.16 -2.14 -1.26 -4.46 118.94 108.69 1mdr s TRP 219 Ca -0.14 -0.01 -0.01 0.00 2.66 0.00 0.00 56.10 58.60 1mdr s TRP 219 Cb 0.04 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.79 1mdr s TRP 219 CO 0.68 -0.79 -0.13 0.42 -2.66 0.00 0.00 176.95 174.47 1mdr s ILE 220 N -3.80 2.74 -0.12 0.66 1.01 -0.69 -2.37 121.20 118.64 1mdr s ILE 220 Ca 0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1mdr s ILE 220 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1mdr s ILE 220 CO -0.10 0.49 0.04 -0.70 0.00 0.00 0.00 174.94 174.67 1mdr s GLU 221 N 1.15 3.37 -0.43 2.79 2.12 -0.12 -0.60 118.70 126.98 1mdr s GLU 221 Ca 0.01 -0.35 -0.06 0.00 0.36 0.00 0.00 54.97 54.92 1mdr s GLU 221 Cb -0.14 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.28 1mdr s GLU 221 CO -0.05 0.57 0.27 0.39 -0.54 0.00 0.00 175.26 175.91 1mdr n GLU 222 N 2.58 -0.68 0.15 4.30 1.02 -0.65 -1.12 120.64 126.24 1mdr n GLU 222 Ca -0.18 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.15 1mdr n GLU 222 Cb 0.53 -0.78 0.63 0.00 -0.02 0.00 0.00 31.44 31.81 1mdr n GLU 222 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1mdr h PRO 223 N 0.50 0.06 0.00 3.49 0.13 -1.86 0.16 132.00 134.48 1mdr h PRO 223 Ca -0.29 -0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.44 1mdr h PRO 223 Cb 0.61 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.63 1mdr h PRO 223 CO 0.19 0.04 -0.36 -2.37 -0.23 0.00 0.00 178.00 175.26 1mdr n THR 224 N -4.49 0.00 -1.58 1.56 5.66 -1.26 -1.48 114.28 112.70 1mdr n THR 224 Ca 0.02 -1.87 -0.51 0.00 -3.05 0.00 0.00 64.05 58.63 1mdr n THR 224 Cb 0.25 0.83 -0.05 0.00 -1.55 0.00 0.00 70.33 69.81 1mdr n THR 224 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1mdr n LEU 225 N 0.00 1.46 -0.04 1.09 4.77 -1.25 -4.23 117.00 118.80 1mdr n LEU 225 Ca 0.02 1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 57.10 1mdr n LEU 225 Cb 0.47 -1.18 0.20 0.00 -2.33 0.00 0.00 43.42 40.58 1mdr n LEU 225 CO 0.24 -1.21 0.84 0.06 -1.33 0.00 0.00 177.39 175.99 1mdr h GLN 226 N 4.02 0.63 0.00 3.23 -0.00 -1.94 -1.43 115.11 119.61 1mdr h GLN 226 Ca -0.46 -0.18 0.00 0.00 -0.00 0.00 0.00 58.65 58.00 1mdr h GLN 226 Cb 1.35 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1mdr h GLN 226 CO 0.74 0.71 0.00 -2.39 -0.00 0.00 0.00 178.83 177.89 1mdr n HIS 227 N -4.20 0.58 -2.88 0.06 1.44 -1.26 -4.43 115.22 104.54 1mdr n HIS 227 Ca 0.01 0.22 -0.44 0.00 -2.01 0.00 0.00 57.72 55.51 1mdr n HIS 227 Cb 0.33 -0.85 -0.02 0.00 0.12 0.00 0.00 29.99 29.56 1mdr n HIS 227 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1mdr s ASP 228 N -3.91 6.69 0.05 4.39 2.15 -0.54 -4.80 116.67 120.71 1mdr s ASP 228 Ca 0.06 -2.14 -0.17 0.00 0.43 0.00 0.00 52.55 50.73 1mdr s ASP 228 Cb 0.10 -2.42 -0.18 0.00 -0.30 0.00 0.00 42.92 40.12 1mdr s ASP 228 CO 0.39 -1.07 1.24 1.88 -0.17 0.00 0.00 175.17 177.44 1mdr h TYR 229 N 8.65 0.76 -0.58 -5.34 0.05 -1.84 -2.25 116.97 116.41 1mdr h TYR 229 Ca 0.20 -0.33 0.03 0.00 0.05 0.00 0.00 58.73 58.67 1mdr h TYR 229 Cb 0.99 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.58 1mdr h TYR 229 CO 1.18 1.12 0.34 1.49 -1.05 0.00 0.00 178.16 181.24 1mdr h GLU 230 N 0.17 0.65 -0.75 4.88 4.22 -1.94 -0.98 114.58 120.82 1mdr h GLU 230 Ca -0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1mdr h GLU 230 Cb 1.19 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1mdr h GLU 230 CO 0.11 0.43 0.44 0.78 -2.18 0.00 0.00 179.01 178.59 1mdr h GLY 231 N 0.66 1.10 1.02 1.92 0.00 -1.95 -0.75 103.07 105.08 1mdr h GLY 231 Ca 0.24 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1mdr h GLY 231 CO -0.12 0.46 0.52 0.45 0.00 0.00 0.00 176.54 177.85 1mdr h HIS 232 N 1.03 1.22 -0.76 5.60 3.86 -0.77 -0.83 115.15 124.50 1mdr h HIS 232 Ca 0.27 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1mdr h HIS 232 Cb -0.01 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.03 1mdr h HIS 232 CO -0.01 0.82 0.50 0.37 0.86 0.00 0.00 177.93 180.48 1mdr h GLN 233 N 1.26 0.97 -0.42 2.45 -0.00 -0.88 0.17 115.11 118.66 1mdr h GLN 233 Ca 0.32 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.88 1mdr h GLN 233 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 27.48 27.23 1mdr h GLN 233 CO -0.06 0.64 0.12 0.00 0.00 0.00 0.00 178.83 179.54 1mdr h ARG 234 N 1.00 0.66 -0.19 1.69 3.08 -0.64 0.15 114.38 120.13 1mdr h ARG 234 Ca 0.29 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1mdr h ARG 234 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1mdr h ARG 234 CO -0.08 0.66 0.08 0.82 -1.07 0.00 0.00 179.97 180.37 1mdr h ILE 235 N 0.54 1.16 -0.93 2.04 2.04 -0.92 -3.08 117.51 118.37 1mdr h ILE 235 Ca 0.13 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1mdr h ILE 235 Cb 0.28 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1mdr h ILE 235 CO -0.00 0.16 0.61 -0.61 0.00 0.00 0.00 178.15 178.30 1mdr h GLN 236 N 0.15 1.08 0.00 2.37 5.75 -0.47 -1.85 115.11 122.14 1mdr h GLN 236 Ca 0.06 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1mdr h GLN 236 Cb 0.18 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 1mdr h GLN 236 CO -0.01 0.71 -0.02 0.66 -2.65 0.00 0.00 178.83 177.53 1mdr h SER 237 N 1.11 0.00 -0.65 -0.69 4.64 -0.87 -0.74 113.55 116.35 1mdr h SER 237 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1mdr h SER 237 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1mdr h SER 237 CO -0.13 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.14 1mdr n LYS 238 N -3.30 2.99 -4.31 4.77 4.76 -0.70 -4.97 118.16 117.41 1mdr n LYS 238 Ca -0.02 -2.54 -0.22 0.00 -2.87 0.00 0.00 58.31 52.66 1mdr n LYS 238 Cb 0.14 -1.67 -0.13 0.00 -1.84 0.00 0.00 35.03 31.53 1mdr n LYS 238 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1mdr s LEU 239 N -1.32 2.25 -0.05 -0.35 1.43 -0.28 -4.94 118.68 115.42 1mdr s LEU 239 Ca 0.46 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1mdr s LEU 239 Cb 0.27 -0.73 -0.29 0.00 0.03 0.00 0.00 46.19 45.47 1mdr s LEU 239 CO 0.27 0.03 0.66 0.78 0.23 0.00 0.00 176.35 178.32 1mdr h ASN 240 N 4.41 0.49 -4.01 2.29 2.35 -1.93 -3.47 115.58 115.70 1mdr h ASN 240 Ca -0.43 -0.79 -0.52 0.00 -0.55 0.00 0.00 56.30 54.01 1mdr h ASN 240 Cb 1.18 -0.16 0.09 0.00 0.05 0.00 0.00 38.32 39.48 1mdr h ASN 240 CO 0.41 1.68 0.53 0.54 -1.65 0.00 0.00 177.43 178.94 1mdr s VAL 241 N -2.59 2.76 0.34 2.81 0.11 -1.26 -4.97 120.40 117.60 1mdr s VAL 241 Ca -0.15 0.58 -0.27 0.00 -2.93 0.00 0.00 61.98 59.22 1mdr s VAL 241 Cb 0.06 -3.30 -0.09 0.00 -1.53 0.00 0.00 36.38 31.52 1mdr s VAL 241 CO 0.84 0.00 1.07 -2.16 -3.33 0.00 0.00 175.10 171.52 1mdr s PRO 242 N -2.72 4.40 -0.03 1.54 0.04 -1.26 -4.91 135.00 132.05 1mdr s PRO 242 Ca 0.65 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 63.14 1mdr s PRO 242 Cb -0.33 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 1mdr s PRO 242 CO 0.40 0.03 0.58 0.08 0.04 0.00 0.00 177.00 178.14 1mdr s VAL 243 N -1.41 4.98 -0.06 -0.36 1.01 -1.26 -1.70 120.40 121.60 1mdr s VAL 243 Ca 0.51 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1mdr s VAL 243 Cb -0.27 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1mdr s VAL 243 CO 0.34 0.38 -0.12 -1.58 0.00 0.00 0.00 175.10 174.12 1mdr s GLN 244 N 0.08 2.68 0.36 2.72 2.00 0.23 -1.69 119.66 126.04 1mdr s GLN 244 Ca 0.31 -0.65 -0.17 0.00 -2.00 0.00 0.00 55.36 52.85 1mdr s GLN 244 Cb -0.18 -2.47 0.06 0.00 0.80 0.00 0.00 33.01 31.22 1mdr s GLN 244 CO 0.16 0.59 0.82 0.00 -0.50 0.00 0.00 175.29 176.36 1mdr s MET 245 N -0.62 2.12 0.00 1.67 0.23 -1.20 -1.64 119.30 119.85 1mdr s MET 245 Ca 0.09 -1.37 0.00 0.00 -1.03 0.00 0.00 55.69 53.39 1mdr s MET 245 Cb -0.11 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1mdr s MET 245 CO 0.01 -0.99 0.00 0.41 -2.03 0.00 0.00 175.02 172.42 1mdr n GLY 246 N -0.55 1.52 0.30 3.16 0.00 -1.26 -1.08 105.19 107.27 1mdr n GLY 246 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.10 1mdr n GLY 246 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1mdr h GLU 247 N 0.00 0.00 -0.24 1.61 4.11 -1.77 -2.16 114.58 116.12 1mdr h GLU 247 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1mdr h GLU 247 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mdr h GLU 247 CO 0.00 0.02 0.00 0.09 0.07 0.00 0.00 179.01 179.19 1mdr n ASN 248 N -3.72 3.05 -4.69 3.06 3.02 -1.26 -4.37 115.26 110.34 1mdr n ASN 248 Ca -0.03 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1mdr n ASN 248 Cb 0.10 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1mdr n ASN 248 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mdr s TRP 249 N -1.44 2.78 -0.51 3.10 0.51 -0.81 -4.96 118.94 117.60 1mdr s TRP 249 Ca 0.30 0.69 -0.17 0.00 -2.12 0.00 0.00 56.10 54.81 1mdr s TRP 249 Cb 0.19 -3.75 0.09 0.00 -0.81 0.00 0.00 33.47 29.19 1mdr s TRP 249 CO 0.27 -2.83 0.50 -0.51 -0.51 0.00 0.00 176.95 173.86 1mdr s LEU 250 N 2.32 5.67 0.00 2.99 1.43 -1.26 -3.78 118.68 126.05 1mdr s LEU 250 Ca 0.67 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1mdr s LEU 250 Cb -0.34 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1mdr s LEU 250 CO 0.28 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1mdr n GLY 251 N 5.22 -0.61 0.28 -3.19 0.00 0.14 -4.22 105.19 102.82 1mdr n GLY 251 Ca -0.12 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.47 1mdr n GLY 251 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mdr h PRO 252 N 0.00 0.00 -0.02 1.61 0.11 -1.86 -2.61 132.00 129.23 1mdr h PRO 252 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1mdr h PRO 252 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1mdr h PRO 252 CO 0.00 0.07 -0.51 1.05 -0.21 0.00 0.00 178.00 178.40 1mdr h GLU 253 N 0.00 0.05 -0.13 1.05 9.09 -1.95 -0.54 114.58 122.15 1mdr h GLU 253 Ca -0.00 -0.03 -0.19 0.00 0.05 0.00 0.00 59.36 59.19 1mdr h GLU 253 Cb 0.23 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.34 1mdr h GLU 253 CO 0.01 0.55 -0.68 0.93 0.05 0.00 0.00 179.01 179.87 1mdr h GLU 254 N 0.04 0.69 -0.64 1.06 5.08 -1.64 -2.64 114.58 116.54 1mdr h GLU 254 Ca -0.00 -0.57 0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1mdr h GLU 254 Cb 0.92 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 1mdr h GLU 254 CO 0.07 1.18 0.32 1.98 -1.00 0.00 0.00 179.01 181.56 1mdr h MET 255 N 0.38 0.56 -0.46 2.33 4.05 -1.54 -2.32 114.93 117.92 1mdr h MET 255 Ca -0.05 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1mdr h MET 255 Cb 1.31 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.95 1mdr h MET 255 CO 0.14 0.37 0.25 0.35 0.23 0.00 0.00 176.91 178.25 1mdr h PHE 256 N 0.58 0.46 -0.72 1.39 3.57 -1.05 -0.01 116.94 121.16 1mdr h PHE 256 Ca 0.30 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1mdr h PHE 256 Cb 0.26 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1mdr h PHE 256 CO -0.11 0.25 0.35 0.87 -2.23 0.00 0.00 178.31 177.44 1mdr h LYS 257 N 0.50 1.04 -0.20 1.11 1.57 -1.27 -0.93 116.57 118.39 1mdr h LYS 257 Ca 0.19 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1mdr h LYS 257 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1mdr h LYS 257 CO -0.12 0.81 -0.08 0.00 -0.57 0.00 0.00 179.45 179.50 1mdr h ALA 258 N 1.17 0.28 -0.37 3.86 0.00 -0.98 -3.04 119.26 120.18 1mdr h ALA 258 Ca 0.25 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1mdr h ALA 258 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1mdr h ALA 258 CO -0.03 0.09 -0.15 -0.07 0.00 0.00 0.00 179.25 179.08 1mdr h LEU 259 N 0.11 0.67 -1.45 0.00 3.38 -1.02 -1.62 115.31 115.38 1mdr h LEU 259 Ca 0.05 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1mdr h LEU 259 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1mdr h LEU 259 CO 0.03 0.83 0.42 0.28 0.09 0.00 0.00 178.44 180.09 1mdr h SER 260 N 0.61 0.61 -0.29 -0.43 0.02 -1.05 -1.54 113.55 111.47 1mdr h SER 260 Ca 0.10 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1mdr h SER 260 Cb 0.60 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1mdr h SER 260 CO 0.04 0.41 0.00 2.30 -1.14 0.00 0.00 176.83 178.44 1mdr n ILE 261 N -4.47 0.36 -2.72 3.27 -6.64 -1.12 -4.96 119.36 103.09 1mdr n ILE 261 Ca 0.08 -0.63 -0.07 0.00 -1.77 0.00 0.00 62.75 60.36 1mdr n ILE 261 Cb 0.18 0.96 0.03 0.00 -1.44 0.00 0.00 39.64 39.36 1mdr n ILE 261 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1mdr n GLY 262 N 1.42 0.32 0.25 3.28 0.00 -0.58 -4.89 105.19 104.99 1mdr n GLY 262 Ca 0.18 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.04 1mdr n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdr h ALA 263 N 0.34 1.00 -2.75 4.61 0.00 -1.55 -3.40 119.26 117.51 1mdr h ALA 263 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1mdr h ALA 263 Cb 1.12 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1mdr h ALA 263 CO 0.19 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.63 1mdr n ARG 265 N -0.05 0.90 -4.03 0.00 1.74 -0.68 -4.95 116.66 109.58 1mdr n ARG 265 Ca -0.17 -0.67 -0.10 0.00 -0.77 0.00 0.00 57.85 56.13 1mdr n ARG 265 Cb 0.63 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.49 1mdr n ARG 265 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mdr s LEU 266 N -2.61 2.29 0.01 0.55 1.43 -1.04 -4.29 118.68 115.01 1mdr s LEU 266 Ca 0.15 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1mdr s LEU 266 Cb 0.17 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.38 1mdr s LEU 266 CO 0.65 -0.31 -0.15 0.00 0.23 0.00 0.00 176.35 176.77 1mdr s ALA 267 N -1.84 1.27 -0.43 4.21 0.00 -1.00 -3.26 121.76 120.71 1mdr s ALA 267 Ca -0.10 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.17 1mdr s ALA 267 Cb -0.07 -0.27 0.19 0.00 0.00 0.00 0.00 23.12 22.97 1mdr s ALA 267 CO -0.02 0.29 0.40 0.00 0.00 0.00 0.00 175.76 176.43 1mdr n MET 268 N 2.36 0.47 -1.58 0.00 0.00 -0.24 -0.93 117.12 117.20 1mdr n MET 268 Ca -0.16 -3.30 -0.38 0.00 0.00 0.00 0.00 57.70 53.86 1mdr n MET 268 Cb 0.55 -1.61 0.05 0.00 0.00 0.00 0.00 33.22 32.21 1mdr n MET 268 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1mdr n PRO 269 N 2.38 0.81 -3.47 3.17 -0.02 -1.25 -2.24 135.00 134.38 1mdr n PRO 269 Ca 0.27 0.31 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 1mdr n PRO 269 Cb 0.48 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1mdr n PRO 269 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1mdr s ASP 270 N -1.24 6.27 0.36 2.55 -1.08 -1.26 -1.82 116.67 120.45 1mdr s ASP 270 Ca 0.74 0.31 0.09 0.00 -0.52 0.00 0.00 52.55 53.17 1mdr s ASP 270 Cb -0.42 -2.18 0.82 0.00 -1.46 0.00 0.00 42.92 39.68 1mdr s ASP 270 CO 0.48 -0.07 1.88 0.00 0.52 0.00 0.00 175.17 177.98 1mdr h ALA 271 N 7.70 1.84 0.00 3.66 0.00 -1.87 0.42 119.26 131.02 1mdr h ALA 271 Ca -0.35 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1mdr h ALA 271 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1mdr h ALA 271 CO 0.67 -0.07 -0.00 1.98 0.00 0.00 0.00 179.25 181.83 1mdr h MET 272 N 0.68 -0.00 0.00 0.00 1.85 -1.90 0.40 114.93 115.96 1mdr h MET 272 Ca 0.44 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.39 1mdr h MET 272 Cb 0.70 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.71 1mdr h MET 272 CO -0.19 0.54 -0.64 0.87 -0.40 0.00 0.00 176.91 177.08 1mdr h LYS 273 N -0.55 0.00 0.00 0.39 1.57 -1.67 -2.73 116.57 113.58 1mdr h LYS 273 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mdr h LYS 273 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1mdr h LYS 273 CO 0.00 0.64 0.00 1.51 -0.57 0.00 0.00 179.45 181.03 1mdr n ILE 274 N -3.69 0.33 0.00 1.86 0.13 0.08 -0.68 119.36 117.38 1mdr n ILE 274 Ca -0.01 0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.72 1mdr n ILE 274 Cb 0.65 -0.73 0.00 0.00 -0.84 0.00 0.00 39.64 38.72 1mdr n ILE 274 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1mdr n GLY 275 N 0.53 1.37 6.62 4.50 0.00 -1.03 -4.02 105.19 113.16 1mdr n GLY 275 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1mdr n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mdr n GLY 276 N -1.39 -0.55 0.16 -0.02 0.00 0.14 -2.41 105.19 101.11 1mdr n GLY 276 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1mdr n GLY 276 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mdr h VAL 277 N 0.00 1.36 -0.36 1.61 2.07 -1.85 -1.64 116.25 117.44 1mdr h VAL 277 Ca 0.00 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.00 1mdr h VAL 277 Cb 0.00 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1mdr h VAL 277 CO 0.00 0.47 0.10 0.74 0.02 0.00 0.00 177.57 178.90 1mdr h THR 278 N 0.08 0.87 -0.57 2.57 2.02 -1.92 -1.70 112.91 114.25 1mdr h THR 278 Ca 0.00 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1mdr h THR 278 Cb 0.90 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1mdr h THR 278 CO 0.07 0.04 0.08 1.23 0.37 0.00 0.00 175.52 177.31 1mdr h GLY 279 N 0.24 1.00 0.99 2.16 0.00 -1.48 -3.16 103.07 102.83 1mdr h GLY 279 Ca 0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1mdr h GLY 279 CO -0.19 0.60 0.28 -0.25 0.00 0.00 0.00 176.54 176.98 1mdr h TRP 280 N 0.87 0.85 -0.61 5.60 2.91 -0.93 -0.66 115.95 123.98 1mdr h TRP 280 Ca 0.18 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.12 1mdr h TRP 280 Cb 0.41 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.77 1mdr h TRP 280 CO 0.03 0.65 0.22 0.82 -1.03 0.00 0.00 178.44 179.13 1mdr h ILE 281 N 0.80 1.22 0.09 2.65 2.04 -1.29 -0.54 117.51 122.48 1mdr h ILE 281 Ca 0.20 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1mdr h ILE 281 Cb 0.12 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1mdr h ILE 281 CO -0.02 0.28 -0.04 0.03 0.00 0.00 0.00 178.15 178.39 1mdr h ARG 282 N 0.87 -0.11 -0.93 2.37 3.08 -1.48 -2.52 114.38 115.67 1mdr h ARG 282 Ca 0.20 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.47 1mdr h ARG 282 Cb 0.20 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.16 1mdr h ARG 282 CO -0.02 0.37 0.49 0.00 -1.07 0.00 0.00 179.97 179.75 1mdr h ALA 283 N 0.13 1.54 -0.69 0.04 0.00 -0.97 -1.41 119.26 117.90 1mdr h ALA 283 Ca -0.01 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1mdr h ALA 283 Cb 0.54 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1mdr h ALA 283 CO 0.02 -0.23 0.15 1.03 0.00 0.00 0.00 179.25 180.22 1mdr h SER 284 N 0.55 1.06 -0.64 0.00 0.87 -1.02 -0.33 113.55 114.04 1mdr h SER 284 Ca 0.57 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1mdr h SER 284 Cb 1.00 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 1mdr h SER 284 CO -0.46 1.03 0.12 0.00 -0.53 0.00 0.00 176.83 176.99 1mdr h ALA 285 N 1.10 0.85 -0.12 6.23 0.00 -0.82 -2.27 119.26 124.24 1mdr h ALA 285 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mdr h ALA 285 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mdr h ALA 285 CO 0.01 0.60 0.05 -0.07 0.00 0.00 0.00 179.25 179.83 1mdr h LEU 286 N 0.97 0.16 -1.45 0.00 3.38 -0.95 -2.69 115.31 114.74 1mdr h LEU 286 Ca 0.20 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1mdr h LEU 286 Cb 0.41 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1mdr h LEU 286 CO 0.01 0.28 0.38 0.00 0.09 0.00 0.00 178.44 179.20 1mdr h ALA 287 N 0.89 1.60 -0.35 1.53 0.00 -0.95 -1.38 119.26 120.60 1mdr h ALA 287 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1mdr h ALA 287 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mdr h ALA 287 CO -0.00 0.37 -0.21 0.37 0.00 0.00 0.00 179.25 179.77 1mdr h GLN 288 N 0.76 0.76 -0.08 0.00 4.15 -1.32 0.13 115.11 119.51 1mdr h GLN 288 Ca 0.21 -0.35 -0.17 0.00 0.77 0.00 0.00 58.65 59.10 1mdr h GLN 288 Cb -0.08 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1mdr h GLN 288 CO -0.05 0.97 -0.70 1.96 -1.93 0.00 0.00 178.83 179.09 1mdr h GLN 289 N 0.54 0.35 -0.00 1.69 1.08 -0.97 -2.90 115.11 114.90 1mdr h GLN 289 Ca 0.07 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1mdr h GLN 289 Cb 0.77 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1mdr h GLN 289 CO 0.06 0.91 -0.07 1.19 -0.95 0.00 0.00 178.83 179.97 1mdr n PHE 290 N -3.84 0.00 -2.94 2.96 3.72 -0.61 -4.93 117.46 111.82 1mdr n PHE 290 Ca -0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.25 1mdr n PHE 290 Cb 0.68 -0.16 0.05 0.00 -0.94 0.00 0.00 39.48 39.12 1mdr n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mdr n GLY 291 N 1.23 0.00 3.25 1.37 0.00 -0.56 -5.02 105.19 105.46 1mdr n GLY 291 Ca 0.16 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1mdr n GLY 291 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mdr s ILE 292 N -3.20 3.36 0.13 -0.61 -1.09 0.34 -5.04 121.20 115.09 1mdr s ILE 292 Ca 0.11 -1.01 -0.34 0.00 -2.23 0.00 0.00 60.65 57.18 1mdr s ILE 292 Cb -0.05 -2.79 -0.14 0.00 -1.58 0.00 0.00 42.46 37.90 1mdr s ILE 292 CO 0.43 0.05 1.58 -2.65 -1.23 0.00 0.00 174.94 173.11 1mdr n PRO 293 N 4.74 2.04 -4.21 2.79 -0.02 -1.26 -4.60 135.00 134.49 1mdr n PRO 293 Ca -0.15 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 1mdr n PRO 293 Cb 0.46 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 1mdr n PRO 293 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1mdr s MET 294 N 1.13 3.15 0.51 -0.52 1.75 -0.29 -2.38 119.30 122.64 1mdr s MET 294 Ca 0.81 -0.76 0.07 0.00 -1.25 0.00 0.00 55.69 54.55 1mdr s MET 294 Cb -0.71 -2.69 0.02 0.00 2.84 0.00 0.00 34.83 34.30 1mdr s MET 294 CO 0.40 -0.13 0.43 -1.12 -0.65 0.00 0.00 175.02 173.95 1mdr s SER 295 N 1.18 4.78 0.39 1.11 0.01 -0.10 0.17 113.70 121.24 1mdr s SER 295 Ca 0.02 -1.06 0.08 0.00 1.31 0.00 0.00 55.95 56.30 1mdr s SER 295 Cb -0.14 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 1mdr s SER 295 CO -0.06 -0.98 0.12 -0.94 0.41 0.00 0.00 173.24 171.78 1mdr s SER 296 N -4.26 4.33 -0.11 2.44 1.04 -0.81 -3.75 113.70 112.58 1mdr s SER 296 Ca 0.41 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 1mdr s SER 296 Cb -0.02 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.61 1mdr s SER 296 CO 0.25 -0.43 -0.05 -2.28 0.98 0.00 0.00 173.24 171.71 1mdr s HIS 297 N -2.57 1.28 0.00 5.02 5.04 -0.76 -4.01 115.29 119.30 1mdr s HIS 297 Ca 0.39 -0.63 0.00 0.00 -1.54 0.00 0.00 55.06 53.27 1mdr s HIS 297 Cb 0.03 -1.12 0.00 0.00 0.04 0.00 0.00 32.58 31.52 1mdr s HIS 297 CO 0.21 -0.48 0.00 1.28 -2.34 0.00 0.00 174.74 173.41 1mdr n LEU 298 N 4.99 0.00 -3.99 8.88 4.77 -1.26 -4.07 117.00 126.32 1mdr n LEU 298 Ca -0.11 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.60 1mdr n LEU 298 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1mdr n LEU 298 CO 0.15 -1.21 -0.20 0.49 -1.33 0.00 0.00 177.39 175.29 1mdr n PHE 299 N -1.58 -1.68 -0.04 -1.77 3.72 -1.26 -4.79 117.46 110.06 1mdr n PHE 299 Ca 0.00 0.76 0.20 0.00 -0.05 0.00 0.00 57.45 58.36 1mdr n PHE 299 Cb 0.00 -3.65 0.66 0.00 -0.94 0.00 0.00 39.48 35.55 1mdr n PHE 299 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1mdr h GLN 300 N -1.80 0.07 0.37 -1.08 3.07 -1.83 -0.58 115.11 113.32 1mdr h GLN 300 Ca -0.62 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.09 1mdr h GLN 300 Cb 1.38 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.92 1mdr h GLN 300 CO 0.65 0.05 -0.18 0.93 0.09 0.00 0.00 178.83 180.37 1mdr h GLU 301 N 0.08 -0.48 0.00 0.06 3.07 -1.95 -1.87 114.58 113.49 1mdr h GLU 301 Ca 0.29 0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1mdr h GLU 301 Cb 1.03 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1mdr h GLU 301 CO -0.02 -0.16 -0.60 0.97 -1.40 0.00 0.00 179.01 177.79 1mdr h ILE 302 N -0.83 1.27 0.00 3.13 2.10 -1.81 -3.23 117.51 118.13 1mdr h ILE 302 Ca -0.05 -2.19 -0.07 0.00 1.08 0.00 0.00 64.86 63.63 1mdr h ILE 302 Cb 0.53 2.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.49 1mdr h ILE 302 CO 0.08 0.59 -0.34 0.28 -1.08 0.00 0.00 178.15 177.68 1mdr h SER 303 N 0.00 0.00 -0.23 2.19 0.02 -1.02 -0.60 113.55 113.91 1mdr h SER 303 Ca -0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1mdr h SER 303 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1mdr h SER 303 CO 0.08 0.34 -0.13 0.00 -1.14 0.00 0.00 176.83 175.98 1mdr h ALA 304 N 1.66 1.10 -0.23 3.77 0.00 -1.35 -0.50 119.26 123.71 1mdr h ALA 304 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1mdr h ALA 304 Cb 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1mdr h ALA 304 CO 0.04 0.56 -0.31 0.45 0.00 0.00 0.00 179.25 179.99 1mdr h HIS 305 N 0.58 0.76 -0.25 0.00 -0.00 -1.37 -3.05 115.15 111.81 1mdr h HIS 305 Ca 0.10 -0.25 -0.16 0.00 -0.00 0.00 0.00 60.37 60.07 1mdr h HIS 305 Cb 0.56 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1mdr h HIS 305 CO 0.02 0.98 -0.48 -0.07 -0.00 0.00 0.00 177.93 178.38 1mdr h LEU 306 N 0.32 0.74 -1.02 2.43 3.38 -0.72 -2.98 115.31 117.45 1mdr h LEU 306 Ca 0.03 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1mdr h LEU 306 Cb 0.89 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1mdr h LEU 306 CO 0.07 1.10 -0.46 -0.07 0.09 0.00 0.00 178.44 179.17 1mdr h LEU 307 N 0.54 0.07 -1.63 1.67 3.38 -1.18 -2.01 115.31 116.14 1mdr h LEU 307 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mdr h LEU 307 Cb 1.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1mdr h LEU 307 CO 0.10 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1mdr h ALA 308 N 1.48 1.00 -0.58 1.53 0.00 -1.41 -1.27 119.26 120.01 1mdr h ALA 308 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mdr h ALA 308 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1mdr h ALA 308 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1mdr n ALA 309 N -1.93 2.32 -3.06 0.00 0.00 -0.77 -4.70 120.51 112.36 1mdr n ALA 309 Ca -0.00 -1.22 -0.38 0.00 0.00 0.00 0.00 53.44 51.84 1mdr n ALA 309 Cb 0.17 -0.76 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 1mdr n ALA 309 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mdr s THR 310 N -1.03 4.22 0.28 0.00 2.01 -0.48 -5.00 115.64 115.63 1mdr s THR 310 Ca 0.40 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1mdr s THR 310 Cb 0.21 -3.15 0.27 0.00 0.01 0.00 0.00 72.50 69.84 1mdr s THR 310 CO 0.28 0.09 1.78 -0.65 -0.69 0.00 0.00 174.62 175.43 1mdr h PRO 311 N 8.28 0.71 -0.78 4.92 0.11 -1.88 -1.70 132.00 141.66 1mdr h PRO 311 Ca -0.32 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.30 1mdr h PRO 311 Cb 1.14 -0.16 -0.25 0.00 0.11 0.00 0.00 31.00 31.84 1mdr h PRO 311 CO 0.61 0.47 0.37 0.25 -0.21 0.00 0.00 178.00 179.49 1mdr n THR 312 N -4.79 3.04 -1.62 -1.15 -2.24 -1.26 -5.02 114.28 101.23 1mdr n THR 312 Ca 0.20 -2.51 -0.45 0.00 -2.27 0.00 0.00 64.05 59.01 1mdr n THR 312 Cb 0.47 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1mdr n THR 312 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mdr n ALA 313 N -1.08 0.16 -1.01 6.98 0.00 -0.64 -1.14 120.51 123.79 1mdr n ALA 313 Ca 0.51 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1mdr n ALA 313 Cb 1.25 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1mdr n ALA 313 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1mdr n HIS 314 N 0.94 0.00 -4.35 0.00 -0.00 0.13 -4.71 115.22 107.23 1mdr n HIS 314 Ca 0.11 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.05 1mdr n HIS 314 Cb 0.31 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.05 1mdr n HIS 314 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1mdr s TRP 315 N 0.00 1.67 -0.12 1.57 0.52 -1.26 -4.70 118.94 116.62 1mdr s TRP 315 Ca 0.00 -0.41 -0.08 0.00 0.02 0.00 0.00 56.10 55.63 1mdr s TRP 315 Cb 0.00 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 1mdr s TRP 315 CO 0.00 0.15 0.16 -1.17 0.02 0.00 0.00 176.95 176.10 1mdr s LEU 316 N -1.67 4.37 -0.27 2.99 0.20 0.39 -1.93 118.68 122.76 1mdr s LEU 316 Ca 0.05 0.47 -0.19 0.00 0.69 0.00 0.00 54.13 55.14 1mdr s LEU 316 Cb -0.10 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1mdr s LEU 316 CO 0.03 0.37 0.59 -0.70 -0.29 0.00 0.00 176.35 176.35 1mdr s GLU 317 N -0.83 4.04 -0.28 1.98 2.12 -1.26 -1.43 118.70 123.05 1mdr s GLU 317 Ca 0.15 0.41 -0.20 0.00 0.36 0.00 0.00 54.97 55.69 1mdr s GLU 317 Cb -0.12 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 1mdr s GLU 317 CO 0.04 -0.43 0.60 0.50 -0.54 0.00 0.00 175.26 175.42 1mdr s ARG 318 N 2.47 4.02 -0.29 4.30 3.52 -0.78 -4.51 118.95 127.67 1mdr s ARG 318 Ca 0.24 0.39 0.03 0.00 -0.13 0.00 0.00 55.73 56.26 1mdr s ARG 318 Cb -0.15 -3.68 0.20 0.00 -1.56 0.00 0.00 34.95 29.75 1mdr s ARG 318 CO 0.09 -0.46 0.66 -1.17 -0.81 0.00 0.00 175.30 173.61 1mdr s LEU 319 N 2.49 -1.45 -1.06 -0.88 0.20 -1.26 -2.05 118.68 114.66 1mdr s LEU 319 Ca 0.24 0.20 -0.20 0.00 0.69 0.00 0.00 54.13 55.07 1mdr s LEU 319 Cb -0.15 1.93 0.10 0.00 -0.43 0.00 0.00 46.19 47.64 1mdr s LEU 319 CO 0.10 -0.27 1.39 -0.62 -0.29 0.00 0.00 176.35 176.66 1mdr s ASP 320 N 2.85 6.67 0.18 3.68 2.15 -1.26 -4.66 116.67 126.28 1mdr s ASP 320 Ca 0.13 -2.01 0.16 0.00 0.43 0.00 0.00 52.55 51.26 1mdr s ASP 320 Cb -0.09 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1mdr s ASP 320 CO -0.25 -1.21 1.16 -0.07 -0.17 0.00 0.00 175.17 174.63 1mdr h LEU 321 N 11.59 0.00 -3.17 -1.34 3.38 -2.01 -3.34 115.31 120.42 1mdr h LEU 321 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1mdr h LEU 321 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1mdr h LEU 321 CO 1.31 0.52 0.00 0.00 0.09 0.00 0.00 178.44 180.36 1mdr n ALA 322 N -2.30 2.78 0.28 1.53 0.00 -1.26 -4.73 120.51 116.81 1mdr n ALA 322 Ca -0.03 -2.12 0.12 0.00 0.00 0.00 0.00 53.44 51.41 1mdr n ALA 322 Cb 0.78 -0.62 0.80 0.00 0.00 0.00 0.00 19.45 20.40 1mdr n ALA 322 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mdr h GLY 323 N 1.64 0.00 2.00 0.00 0.00 -1.89 -2.34 103.07 102.48 1mdr h GLY 323 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1mdr h GLY 323 CO 0.16 0.00 -0.35 1.76 0.00 0.00 0.00 176.54 178.11 1mdr h SER 324 N 0.00 0.00 -0.17 0.19 0.02 -1.90 -3.30 113.55 108.40 1mdr h SER 324 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mdr h SER 324 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1mdr h SER 324 CO 0.00 0.35 0.00 1.33 -1.14 0.00 0.00 176.83 177.38 1mdr n VAL 325 N -3.76 0.80 -4.13 2.27 0.24 -0.89 -4.82 118.33 108.04 1mdr n VAL 325 Ca -0.01 -0.90 -0.16 0.00 -2.04 0.00 0.00 64.34 61.23 1mdr n VAL 325 Cb 0.44 0.63 -0.12 0.00 -1.47 0.00 0.00 33.84 33.32 1mdr n VAL 325 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1mdr s ILE 326 N -0.91 0.87 0.52 1.34 -4.36 -1.16 -0.73 121.20 116.77 1mdr s ILE 326 Ca 0.13 -1.27 -0.21 0.00 -0.26 0.00 0.00 60.65 59.03 1mdr s ILE 326 Cb 0.07 -0.94 -0.06 0.00 1.25 0.00 0.00 42.46 42.78 1mdr s ILE 326 CO 0.09 -0.33 1.22 -1.61 0.24 0.00 0.00 174.94 174.55 1mdr s GLU 327 N -1.84 3.40 -1.17 0.37 0.41 0.48 -4.78 118.70 115.57 1mdr s GLU 327 Ca -0.04 1.89 -0.13 0.00 -0.41 0.00 0.00 54.97 56.29 1mdr s GLU 327 Cb -0.09 -2.23 -0.06 0.00 -1.78 0.00 0.00 34.13 29.96 1mdr s GLU 327 CO 0.01 -0.88 2.29 -0.35 -0.49 0.00 0.00 175.26 175.84 1mdr n PRO 328 N -0.93 2.50 0.19 0.39 -0.04 -1.26 -4.56 135.00 131.29 1mdr n PRO 328 Ca 0.10 -2.00 0.09 0.00 -0.04 0.00 0.00 63.50 61.65 1mdr n PRO 328 Cb 0.48 -2.85 0.14 0.00 -0.04 0.00 0.00 33.50 31.23 1mdr n PRO 328 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1mdr h THR 329 N 3.73 0.31 -3.32 0.52 1.35 -1.91 -3.42 112.91 110.17 1mdr h THR 329 Ca 0.58 -1.41 -0.59 0.00 -0.55 0.00 0.00 66.41 64.45 1mdr h THR 329 Cb 0.43 2.13 -0.08 0.00 -1.73 0.00 0.00 68.15 68.90 1mdr h THR 329 CO 1.76 0.17 0.37 -0.22 -0.25 0.00 0.00 175.52 177.35 1mdr s LEU 330 N -6.31 4.14 0.20 3.87 2.96 -1.26 -4.18 118.68 118.10 1mdr s LEU 330 Ca 0.06 1.08 0.10 0.00 -0.22 0.00 0.00 54.13 55.14 1mdr s LEU 330 Cb 0.06 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1mdr s LEU 330 CO 0.69 -0.41 -0.12 0.42 -1.32 0.00 0.00 176.35 175.61 1mdr s THR 331 N 2.29 3.02 -0.17 3.68 -4.23 -1.22 -4.98 115.64 114.03 1mdr s THR 331 Ca 0.36 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1mdr s THR 331 Cb -0.16 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 1mdr s THR 331 CO 0.11 -0.15 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.56 1mdr s PHE 332 N -1.80 2.85 -0.11 3.99 0.40 -1.26 -0.68 117.98 121.37 1mdr s PHE 332 Ca 0.25 -0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1mdr s PHE 332 Cb -0.08 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.54 1mdr s PHE 332 CO 0.15 -0.42 -0.03 -2.00 0.70 0.00 0.00 175.22 173.61 1mdr s GLU 333 N 0.87 1.04 -1.47 0.44 2.56 0.47 -4.78 118.70 117.84 1mdr s GLU 333 Ca -0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 54.97 54.70 1mdr s GLU 333 Cb -0.15 -1.41 0.05 0.00 2.00 0.00 0.00 34.13 34.63 1mdr s GLU 333 CO -0.00 -0.33 0.89 0.41 -0.56 0.00 0.00 175.26 175.67 1mdr n GLY 334 N 5.03 -0.51 2.10 -1.50 0.00 -1.26 -1.61 105.19 107.45 1mdr n GLY 334 Ca -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1mdr n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mdr n GLY 335 N -1.66 0.62 3.16 -0.02 0.00 -1.10 -4.82 105.19 101.37 1mdr n GLY 335 Ca -0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1mdr n GLY 335 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mdr s ASN 336 N -2.88 1.94 0.23 1.61 0.02 -0.63 -1.46 114.94 113.76 1mdr s ASN 336 Ca 0.00 -0.37 -0.30 0.00 -1.02 0.00 0.00 52.86 51.18 1mdr s ASN 336 Cb 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 41.25 41.00 1mdr s ASN 336 CO 0.00 0.16 1.03 0.00 0.02 0.00 0.00 177.10 178.31 1mdr s ALA 337 N -0.55 3.36 -0.20 0.60 0.00 0.25 -0.39 121.76 124.83 1mdr s ALA 337 Ca 0.05 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 1mdr s ALA 337 Cb -0.07 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1mdr s ALA 337 CO 0.00 -0.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.67 1mdr s VAL 338 N -0.89 2.41 0.19 0.00 1.01 0.14 -1.90 120.40 121.35 1mdr s VAL 338 Ca 0.44 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1mdr s VAL 338 Cb -0.29 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 1mdr s VAL 338 CO 0.36 0.43 1.52 -0.63 0.00 0.00 0.00 175.10 176.77 1mdr s ILE 339 N 1.31 2.68 0.54 2.22 1.01 -1.26 -3.42 121.20 124.27 1mdr s ILE 339 Ca 0.03 0.51 -0.21 0.00 0.00 0.00 0.00 60.65 60.99 1mdr s ILE 339 Cb -0.14 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1mdr s ILE 339 CO -0.10 0.05 1.21 -2.16 0.00 0.00 0.00 174.94 173.95 1mdr s PRO 340 N 0.66 3.30 -1.28 2.79 0.04 -1.26 -4.93 135.00 134.32 1mdr s PRO 340 Ca 0.66 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 1mdr s PRO 340 Cb -0.43 -2.15 0.16 0.00 0.04 0.00 0.00 34.50 32.12 1mdr s PRO 340 CO 0.35 -0.95 2.01 -3.47 0.04 0.00 0.00 177.00 174.98 1mdr n ASP 341 N -1.10 6.06 -4.20 6.66 2.03 -1.26 -4.88 116.55 119.86 1mdr n ASP 341 Ca 0.11 -3.14 -0.23 0.00 0.52 0.00 0.00 54.79 52.05 1mdr n ASP 341 Cb 0.48 -1.43 -0.14 0.00 -0.72 0.00 0.00 41.12 39.32 1mdr n ASP 341 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1mdr s LEU 342 N -0.91 2.17 0.36 -2.67 1.43 -1.26 -5.00 118.68 112.81 1mdr s LEU 342 Ca 0.43 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1mdr s LEU 342 Cb 0.12 -0.79 -0.13 0.00 0.03 0.00 0.00 46.19 45.42 1mdr s LEU 342 CO -0.02 0.10 0.70 -2.65 0.23 0.00 0.00 176.35 174.70 1mdr n PRO 343 N 1.86 0.76 0.00 1.29 -0.02 -1.26 -3.58 135.00 134.05 1mdr n PRO 343 Ca -0.18 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1mdr n PRO 343 Cb 0.54 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1mdr n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mdr n GLY 344 N 1.62 2.71 0.02 -1.23 0.00 0.24 -3.56 105.19 104.99 1mdr n GLY 344 Ca 0.12 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1mdr n GLY 344 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mdr n VAL 345 N 0.00 0.24 -0.89 1.61 0.31 -1.26 -0.39 118.33 117.94 1mdr n VAL 345 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1mdr n VAL 345 Cb 0.00 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1mdr n VAL 345 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mdr n GLY 346 N 1.57 0.83 3.69 2.92 0.00 -1.23 -4.79 105.19 108.17 1mdr n GLY 346 Ca -0.08 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1mdr n GLY 346 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mdr s ILE 347 N -2.00 5.07 -0.12 -0.61 1.01 -1.26 -4.67 121.20 118.61 1mdr s ILE 347 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.82 1mdr s ILE 347 Cb 0.00 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.57 1mdr s ILE 347 CO 0.00 0.19 -0.02 -0.63 0.00 0.00 0.00 174.94 174.48 1mdr s ILE 348 N 1.37 0.70 0.35 2.92 1.01 -1.26 -4.94 121.20 121.35 1mdr s ILE 348 Ca 0.30 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1mdr s ILE 348 Cb -0.16 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.31 1mdr s ILE 348 CO 0.12 0.17 1.47 0.26 0.00 0.00 0.00 174.94 176.96 1mdr s TRP 349 N 1.82 2.71 -1.04 3.97 0.23 -1.26 -0.38 118.94 124.99 1mdr s TRP 349 Ca 0.03 1.14 -0.13 0.00 -2.03 0.00 0.00 56.10 55.11 1mdr s TRP 349 Cb -0.14 -3.96 0.21 0.00 0.03 0.00 0.00 33.47 29.61 1mdr s TRP 349 CO -0.07 -2.88 1.11 1.03 0.96 0.00 0.00 176.95 177.10 1mdr s ARG 350 N -1.70 3.93 0.39 4.98 0.52 0.09 -4.75 118.95 122.41 1mdr s ARG 350 Ca 0.54 -2.62 0.17 0.00 -0.52 0.00 0.00 55.73 53.30 1mdr s ARG 350 Cb -0.45 -4.71 1.07 0.00 0.52 0.00 0.00 34.95 31.37 1mdr s ARG 350 CO 0.58 -1.48 1.79 0.93 0.02 0.00 0.00 175.30 177.14 1mdr h GLU 351 N 7.44 0.42 0.00 3.54 4.39 -1.92 -1.86 114.58 126.58 1mdr h GLU 351 Ca 0.19 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1mdr h GLU 351 Cb 0.94 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1mdr h GLU 351 CO 1.02 0.27 -0.08 1.57 -1.16 0.00 0.00 179.01 180.63 1mdr h LYS 352 N 0.43 0.00 -0.13 2.33 -0.00 -1.98 -3.16 116.57 114.06 1mdr h LYS 352 Ca 0.57 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 61.05 1mdr h LYS 352 Cb 1.40 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.63 1mdr h LYS 352 CO -0.28 0.00 -0.58 0.93 -0.00 0.00 0.00 179.45 179.51 1mdr h GLU 353 N 0.00 0.63 -0.68 0.07 4.39 -1.67 -3.25 114.58 114.06 1mdr h GLU 353 Ca 0.00 -0.50 0.13 0.00 0.34 0.00 0.00 59.36 59.33 1mdr h GLU 353 Cb 0.87 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.53 1mdr h GLU 353 CO 0.00 1.12 0.20 0.82 -1.16 0.00 0.00 179.01 180.00 1mdr h ILE 354 N 0.29 0.63 -0.11 3.13 2.04 -1.47 0.13 117.51 122.14 1mdr h ILE 354 Ca -0.04 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1mdr h ILE 354 Cb 1.22 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1mdr h ILE 354 CO 0.12 0.06 0.09 1.23 0.00 0.00 0.00 178.15 179.65 1mdr h GLY 355 N 0.33 0.00 2.00 5.37 0.00 -1.59 0.59 103.07 109.77 1mdr h GLY 355 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.59 1mdr h GLY 355 CO -0.42 0.00 -0.54 0.50 0.00 0.00 0.00 176.54 176.08 1mdr h LYS 356 N 0.00 0.00 -0.02 4.80 1.57 -1.05 -3.31 116.57 118.56 1mdr h LYS 356 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1mdr h LYS 356 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1mdr h LYS 356 CO -0.00 0.54 0.00 0.66 -0.57 0.00 0.00 179.45 180.08 1mdr n TYR 357 N -3.61 0.01 -1.70 -1.35 4.01 0.14 -5.02 117.16 109.62 1mdr n TYR 357 Ca -0.00 -0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 1mdr n TYR 357 Cb 0.60 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.62 1mdr n TYR 357 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1mdr n LEU 358 N 0.88 3.61 -0.36 7.72 7.94 -0.83 -1.18 117.00 134.77 1mdr n LEU 358 Ca 0.09 1.16 0.05 0.00 -1.11 0.00 0.00 56.01 56.19 1mdr n LEU 358 Cb 0.39 -1.49 0.04 0.00 0.53 0.00 0.00 43.42 42.88 1mdr n LEU 358 CO 0.10 -0.27 0.39 0.52 -1.11 0.00 0.00 177.39 177.02