#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdn s ARG 3 N 0.00 -0.01 0.09 0.00 3.00 -1.17 -4.68 118.95 116.17 3mdn s ARG 3 Ca 0.00 0.18 -0.08 0.00 -1.00 0.00 0.00 55.73 54.83 3mdn s ARG 3 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 34.95 34.76 3mdn s ARG 3 CO 0.00 -0.13 0.16 1.67 0.00 0.00 0.00 175.30 177.00 3mdn s TRP 4 N 0.86 0.22 -0.10 5.12 1.48 -0.94 -0.13 118.94 125.44 3mdn s TRP 4 Ca -0.07 -0.66 -0.07 0.00 -1.06 0.00 0.00 56.10 54.24 3mdn s TRP 4 Cb -0.10 -0.11 0.04 0.00 -1.16 0.00 0.00 33.47 32.14 3mdn s TRP 4 CO -0.03 -0.53 0.26 0.00 -4.06 0.00 0.00 176.95 172.59 3mdn s ALA 5 N -3.87 -0.62 0.03 2.67 0.00 -0.16 -1.27 121.76 118.54 3mdn s ALA 5 Ca 0.06 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.95 3mdn s ALA 5 Cb 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3mdn s ALA 5 CO -0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 175.76 175.39 3mdn s ALA 6 N 0.75 0.79 0.00 0.00 0.00 0.37 0.12 121.76 123.79 3mdn s ALA 6 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3mdn s ALA 6 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3mdn s ALA 6 CO -0.05 0.11 -0.06 -0.47 0.00 0.00 0.00 175.76 175.29 3mdn s TYR 7 N -0.89 0.57 -0.17 0.00 5.04 -0.33 -1.45 117.35 120.13 3mdn s TYR 7 Ca -0.03 -0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.40 3mdn s TYR 7 Cb -0.07 -0.36 0.08 0.00 0.35 0.00 0.00 41.96 41.95 3mdn s TYR 7 CO 0.01 -0.02 0.20 -1.58 -1.34 0.00 0.00 175.55 172.81 3mdn s HIS 8 N -0.33 -0.21 -2.57 4.97 5.65 -0.43 -2.43 115.29 119.93 3mdn s HIS 8 Ca 0.01 0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.61 3mdn s HIS 8 Cb -0.04 -0.36 0.00 0.00 -1.18 0.00 0.00 32.58 31.01 3mdn s HIS 8 CO -0.00 -0.50 0.00 0.41 -0.65 0.00 0.00 174.74 173.99 3mdn n GLY 9 N 5.32 -0.60 3.77 1.59 0.00 -0.45 -0.48 105.19 114.34 3mdn n GLY 9 Ca -0.05 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 3mdn n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mdn s THR 10 N -3.58 2.64 0.51 2.61 -4.23 -0.61 -4.42 115.64 108.56 3mdn s THR 10 Ca 0.00 0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 60.87 3mdn s THR 10 Cb 0.00 -3.35 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 3mdn s THR 10 CO 0.00 0.10 1.23 -2.65 -0.54 0.00 0.00 174.62 172.76 3mdn n PRO 11 N 0.29 1.58 -4.12 3.99 -0.02 -1.26 -4.69 135.00 130.76 3mdn n PRO 11 Ca 0.03 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3mdn n PRO 11 Cb 0.43 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 3mdn n PRO 11 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3mdn s ILE 12 N -1.30 0.37 0.42 4.25 -4.36 -0.90 -4.83 121.20 114.86 3mdn s ILE 12 Ca 0.69 -1.86 -0.26 0.00 -0.26 0.00 0.00 60.65 58.95 3mdn s ILE 12 Cb -0.45 -1.63 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 3mdn s ILE 12 CO 0.52 -0.91 1.44 -0.36 0.24 0.00 0.00 174.94 175.87 3mdn s PHE 13 N -3.83 2.52 0.42 1.37 0.08 -1.26 -0.91 117.98 116.37 3mdn s PHE 13 Ca 0.10 1.24 0.11 0.00 0.12 0.00 0.00 56.93 58.50 3mdn s PHE 13 Cb 0.07 -3.94 0.94 0.00 -0.57 0.00 0.00 43.02 39.52 3mdn s PHE 13 CO -0.07 -2.90 2.01 -0.07 -0.10 0.00 0.00 175.22 174.08 3mdn h LEU 14 N 2.57 0.43 -1.80 -0.37 3.38 -1.26 -1.57 115.31 116.69 3mdn h LEU 14 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3mdn h LEU 14 Cb 1.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3mdn h LEU 14 CO 0.62 0.28 0.00 1.05 0.09 0.00 0.00 178.44 180.48 3mdn h GLU 15 N 0.49 0.00 0.00 1.13 4.11 -1.64 0.17 114.58 118.84 3mdn h GLU 15 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3mdn h GLU 15 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3mdn h GLU 15 CO -0.06 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.77 3mdn n ASP 16 N -2.88 0.00 0.03 3.06 8.00 -0.59 -3.56 116.55 120.61 3mdn n ASP 16 Ca -0.00 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3mdn n ASP 16 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3mdn n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3mdn n VAL 17 N -0.92 0.14 -0.93 2.53 0.31 -0.84 -5.07 118.33 113.56 3mdn n VAL 17 Ca 0.13 0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 64.21 3mdn n VAL 17 Cb 0.06 -0.94 0.02 0.00 -0.91 0.00 0.00 33.84 32.08 3mdn n VAL 17 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3mdn n ILE 18 N -2.93 0.00 0.00 2.52 -0.00 -0.01 -5.07 119.36 113.87 3mdn n ILE 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3mdn n ILE 18 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 3mdn n ILE 18 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 3mdn n ASP 42 N 3.34 0.00 0.00 4.38 5.75 -1.26 -4.85 116.55 123.91 3mdn n ASP 42 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 3mdn n ASP 42 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 3mdn n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mdn n GLY 43 N 0.00 1.20 3.43 6.12 0.00 -1.26 -4.48 105.19 110.19 3mdn n GLY 43 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 3mdn n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mdn s PHE 44 N -1.66 -0.51 -0.05 1.61 5.36 -0.47 -4.47 117.98 117.79 3mdn s PHE 44 Ca 0.00 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 56.26 3mdn s PHE 44 Cb 0.00 0.41 0.10 0.00 -0.34 0.00 0.00 43.02 43.19 3mdn s PHE 44 CO 0.00 -0.69 0.86 0.20 -1.46 0.00 0.00 175.22 174.13 3mdn s GLY 45 N -1.99 -0.43 -0.01 13.12 0.00 -0.80 -0.79 107.32 116.41 3mdn s GLY 45 Ca -0.05 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.02 3mdn s GLY 45 CO -0.02 0.65 -0.01 0.54 0.00 0.00 0.00 173.10 174.26 3mdn s VAL 46 N -2.21 0.13 -0.09 1.40 0.11 0.15 -1.48 120.40 118.40 3mdn s VAL 46 Ca -0.00 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3mdn s VAL 46 Cb -0.01 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 3mdn s VAL 46 CO -0.03 0.06 -0.21 0.00 -3.33 0.00 0.00 175.10 171.59 3mdn s ALA 47 N 0.24 2.30 0.03 1.54 0.00 0.23 -0.94 121.76 125.17 3mdn s ALA 47 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.98 3mdn s ALA 47 Cb -0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3mdn s ALA 47 CO -0.01 0.34 -0.06 1.67 0.00 0.00 0.00 175.76 177.70 3mdn s TRP 48 N 0.11 0.56 -0.09 0.00 -2.14 -0.40 -0.17 118.94 116.81 3mdn s TRP 48 Ca -0.10 -0.42 -0.03 0.00 2.66 0.00 0.00 56.10 58.20 3mdn s TRP 48 Cb -0.16 -0.34 -0.04 0.00 -3.10 0.00 0.00 33.47 29.83 3mdn s TRP 48 CO 0.06 -0.08 0.06 0.71 -2.66 0.00 0.00 176.95 175.04 3mdn s TYR 49 N -1.14 3.33 0.00 1.66 1.51 0.08 -0.42 117.35 122.37 3mdn s TYR 49 Ca -0.09 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 3mdn s TYR 49 Cb -0.08 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3mdn s TYR 49 CO 0.00 0.57 0.00 -3.47 -1.11 0.00 0.00 175.55 171.54 3mdn n ASP 50 N 1.95 0.00 -0.31 2.29 -0.08 -1.26 -4.14 116.55 115.00 3mdn n ASP 50 Ca -0.18 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.16 3mdn n ASP 50 Cb 0.54 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.00 3mdn n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mdn n ALA 51 N -1.97 3.00 -2.41 -1.67 0.00 -1.26 -4.99 120.51 111.21 3mdn n ALA 51 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 3mdn n ALA 51 Cb 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 3mdn n ALA 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3mdn s ARG 52 N -1.63 1.49 0.41 0.00 0.52 -1.26 -5.03 118.95 113.45 3mdn s ARG 52 Ca 0.11 -1.73 0.22 0.00 -0.52 0.00 0.00 55.73 53.81 3mdn s ARG 52 Cb 0.11 -1.17 0.78 0.00 0.52 0.00 0.00 34.95 35.19 3mdn s ARG 52 CO 0.33 0.09 1.77 -1.35 0.02 0.00 0.00 175.30 176.16 3mdn h PRO 53 N 2.36 0.00 -6.84 3.54 0.11 -1.98 -3.43 132.00 125.76 3mdn h PRO 53 Ca -0.39 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.24 3mdn h PRO 53 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3mdn h PRO 53 CO 0.65 0.27 0.17 -1.21 -0.21 0.00 0.00 178.00 177.68 3mdn s GLU 54 N -3.56 4.04 0.43 1.05 8.01 -1.26 -4.60 118.70 122.81 3mdn s GLU 54 Ca 0.01 0.78 -0.21 0.00 0.01 0.00 0.00 54.97 55.56 3mdn s GLU 54 Cb 0.10 -2.35 -0.11 0.00 -4.31 0.00 0.00 34.13 27.46 3mdn s GLU 54 CO 0.66 0.08 0.95 -1.25 0.01 0.00 0.00 175.26 175.71 3mdn s PRO 55 N -3.13 4.23 0.49 0.39 0.04 -1.26 -4.79 135.00 130.96 3mdn s PRO 55 Ca 0.56 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 3mdn s PRO 55 Cb -0.10 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 3mdn s PRO 55 CO 0.18 -0.03 1.12 0.20 0.04 0.00 0.00 177.00 178.50 3mdn s GLY 56 N -2.15 2.68 -0.11 0.56 0.00 0.44 -4.85 107.32 103.90 3mdn s GLY 56 Ca 0.62 0.82 -0.02 0.00 0.00 0.00 0.00 44.72 46.14 3mdn s GLY 56 CO 0.14 1.21 0.02 -2.27 0.00 0.00 0.00 173.10 172.20 3mdn s LEU 57 N -3.35 0.66 -0.16 0.66 2.96 -1.26 -1.28 118.68 116.90 3mdn s LEU 57 Ca 0.67 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3mdn s LEU 57 Cb -0.24 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.03 3mdn s LEU 57 CO 0.29 -0.24 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.41 3mdn s TYR 58 N 1.98 2.75 -0.11 5.38 6.14 -0.11 -4.99 117.35 128.38 3mdn s TYR 58 Ca 0.03 -1.43 -0.11 0.00 0.64 0.00 0.00 57.07 56.20 3mdn s TYR 58 Cb -0.14 -1.89 0.03 0.00 0.42 0.00 0.00 41.96 40.39 3mdn s TYR 58 CO -0.06 -0.69 0.31 -0.98 0.64 0.00 0.00 175.55 174.78 3mdn s ARG 59 N 1.07 0.37 0.13 4.97 1.70 -1.26 0.33 118.95 126.26 3mdn s ARG 59 Ca -0.01 0.42 -0.14 0.00 -0.47 0.00 0.00 55.73 55.53 3mdn s ARG 59 Cb -0.14 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.44 3mdn s ARG 59 CO -0.07 -0.05 0.36 0.34 -1.08 0.00 0.00 175.30 174.80 3mdn s ASP 60 N 0.13 -0.13 -0.27 -2.89 -1.08 0.03 -4.98 116.67 107.47 3mdn s ASP 60 Ca -0.00 -0.46 0.04 0.00 -0.52 0.00 0.00 52.55 51.61 3mdn s ASP 60 Cb -0.02 0.45 0.46 0.00 -1.46 0.00 0.00 42.92 42.35 3mdn s ASP 60 CO 0.01 -0.85 1.54 1.33 0.52 0.00 0.00 175.17 177.72 3mdn n VAL 61 N -0.20 2.31 -4.00 1.11 0.24 -1.26 -1.37 118.33 115.16 3mdn n VAL 61 Ca -0.14 -1.18 -0.08 0.00 -2.04 0.00 0.00 64.34 60.89 3mdn n VAL 61 Cb 0.63 -0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 3mdn n VAL 61 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3mdn s TYR 62 N -2.15 0.35 -0.16 6.34 -0.85 -1.26 -4.50 117.35 115.12 3mdn s TYR 62 Ca 0.37 -0.79 -0.36 0.00 -0.52 0.00 0.00 57.07 55.76 3mdn s TYR 62 Cb 0.30 -0.25 -0.13 0.00 0.38 0.00 0.00 41.96 42.26 3mdn s TYR 62 CO 0.08 -0.39 1.84 -0.35 -1.52 0.00 0.00 175.55 175.21 3mdn n PRO 63 N 0.39 1.81 -1.21 -3.49 -0.04 -1.26 -4.55 135.00 126.64 3mdn n PRO 63 Ca -0.16 0.66 -0.38 0.00 -0.04 0.00 0.00 63.50 63.57 3mdn n PRO 63 Cb 0.60 -2.45 0.02 0.00 -0.04 0.00 0.00 33.50 31.63 3mdn n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mdn n ALA 64 N 6.20 -3.43 -2.31 0.55 0.00 -1.26 -0.99 120.51 119.27 3mdn n ALA 64 Ca 0.24 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 3mdn n ALA 64 Cb 0.23 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3mdn n ALA 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3mdn n TRP 65 N -1.67 -1.01 0.00 0.00 4.27 -1.26 -4.67 117.44 113.10 3mdn n TRP 65 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 3mdn n TRP 65 Cb 0.48 -3.57 0.00 0.00 -1.36 0.00 0.00 31.31 26.87 3mdn n TRP 65 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3mdn n SER 66 N -1.85 2.92 -4.55 -0.67 2.88 -0.16 -4.99 113.62 107.19 3mdn n SER 66 Ca -0.21 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.94 3mdn n SER 66 Cb 0.66 0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 64.20 3mdn n SER 66 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mdn s ASP 67 N -3.23 5.55 0.51 -3.46 -1.08 -1.22 -4.87 116.67 108.87 3mdn s ASP 67 Ca 0.00 0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.24 3mdn s ASP 67 Cb 0.00 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.19 3mdn s ASP 67 CO 0.00 -2.22 2.09 -0.65 0.52 0.00 0.00 175.17 174.92 3mdn h PRO 68 N 13.26 0.05 -0.10 4.34 0.11 -1.95 -1.29 132.00 146.41 3mdn h PRO 68 Ca -0.24 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3mdn h PRO 68 Cb 1.12 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mdn h PRO 68 CO 1.24 0.03 0.03 -0.91 -0.21 0.00 0.00 178.00 178.18 3mdn h ASN 69 N 0.05 0.15 -0.49 -2.05 2.35 -1.99 0.19 115.58 113.78 3mdn h ASN 69 Ca 0.09 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3mdn h ASN 69 Cb 0.30 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3mdn h ASN 69 CO -0.01 0.31 0.22 0.25 -1.65 0.00 0.00 177.43 176.55 3mdn h LEU 70 N -0.01 0.28 -0.41 1.61 5.85 -1.74 0.56 115.31 121.44 3mdn h LEU 70 Ca 0.03 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3mdn h LEU 70 Cb 0.21 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 3mdn h LEU 70 CO -0.00 0.19 -0.33 0.03 -0.34 0.00 0.00 178.44 177.99 3mdn h ARG 71 N 0.43 -0.24 -0.38 1.25 3.08 -1.04 0.89 114.38 118.36 3mdn h ARG 71 Ca 0.23 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.32 3mdn h ARG 71 Cb 0.18 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3mdn h ARG 71 CO -0.19 -0.16 0.20 0.00 -1.07 0.00 0.00 179.97 178.74 3mdn h ALA 72 N 0.75 0.47 -0.36 0.04 0.00 0.30 -0.90 119.26 119.56 3mdn h ALA 72 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mdn h ALA 72 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3mdn h ALA 72 CO -0.55 -0.16 0.14 0.28 0.00 0.00 0.00 179.25 178.96 3mdn h VAL 73 N 0.40 1.20 -0.05 0.00 2.07 -0.64 -1.22 116.25 118.01 3mdn h VAL 73 Ca 0.16 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 3mdn h VAL 73 Cb 0.05 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3mdn h VAL 73 CO -0.10 0.22 -0.45 0.00 0.02 0.00 0.00 177.57 177.25 3mdn h ALA 74 N 0.98 1.15 0.00 1.67 0.00 -0.65 0.06 119.26 122.47 3mdn h ALA 74 Ca 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mdn h ALA 74 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mdn h ALA 74 CO -0.01 0.59 -0.15 1.25 0.00 0.00 0.00 179.25 180.94 3mdn h HIS 75 N 0.10 0.00 0.00 0.00 6.17 -0.94 -1.90 115.15 118.57 3mdn h HIS 75 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 3mdn h HIS 75 Cb 0.84 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.76 3mdn h HIS 75 CO 0.01 0.15 -1.23 0.72 0.71 0.00 0.00 177.93 178.28 3mdn n HIS 76 N -3.15 0.00 -3.53 5.26 8.25 -0.48 -4.96 115.22 116.61 3mdn n HIS 76 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 3mdn n HIS 76 Cb 0.56 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.47 3mdn n HIS 76 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3mdn s VAL 77 N -2.24 5.25 -0.06 1.59 1.01 -0.03 -5.04 120.40 120.88 3mdn s VAL 77 Ca -0.02 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3mdn s VAL 77 Cb 0.02 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3mdn s VAL 77 CO 0.18 0.44 -0.04 -0.13 0.00 0.00 0.00 175.10 175.55 3mdn s ARG 78 N 0.04 2.80 -0.06 2.72 0.52 -1.26 -1.83 118.95 121.89 3mdn s ARG 78 Ca 0.19 -0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 54.66 3mdn s ARG 78 Cb -0.14 -2.65 0.05 0.00 0.52 0.00 0.00 34.95 32.73 3mdn s ARG 78 CO 0.07 0.67 0.48 0.45 0.02 0.00 0.00 175.30 176.99 3mdn s SER 79 N -0.96 -0.43 0.00 0.23 0.15 -0.09 -4.86 113.70 107.75 3mdn s SER 79 Ca 0.14 0.50 0.24 0.00 0.70 0.00 0.00 55.95 57.52 3mdn s SER 79 Cb -0.11 0.53 0.36 0.00 -1.71 0.00 0.00 66.02 65.09 3mdn s SER 79 CO 0.03 -0.46 1.36 0.61 1.20 0.00 0.00 173.24 175.98 3mdn n GLY 80 N 1.43 1.28 3.12 9.45 0.00 -1.26 -2.11 105.19 117.10 3mdn n GLY 80 Ca -0.19 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.16 3mdn n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mdn s LEU 81 N -1.75 -1.34 0.17 0.99 0.20 -1.26 -1.34 118.68 114.35 3mdn s LEU 81 Ca 0.34 0.67 -0.13 0.00 0.69 0.00 0.00 54.13 55.69 3mdn s LEU 81 Cb 0.21 2.02 0.01 0.00 -0.43 0.00 0.00 46.19 48.00 3mdn s LEU 81 CO 0.31 -0.27 0.38 0.72 -0.29 0.00 0.00 176.35 177.20 3mdn s PHE 82 N 2.82 0.13 -0.04 5.38 -0.12 -1.02 -0.75 117.98 124.39 3mdn s PHE 82 Ca 0.18 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 3mdn s PHE 82 Cb -0.14 0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 3mdn s PHE 82 CO -0.22 -0.78 -0.02 -0.51 -0.05 0.00 0.00 175.22 173.64 3mdn s LEU 83 N -2.91 1.22 0.02 -1.99 1.02 0.76 -1.19 118.68 115.61 3mdn s LEU 83 Ca 0.12 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.22 3mdn s LEU 83 Cb 0.02 -0.34 -0.01 0.00 0.02 0.00 0.00 46.19 45.87 3mdn s LEU 83 CO -0.03 -0.08 -0.09 -0.94 0.02 0.00 0.00 176.35 175.23 3mdn s SER 84 N 1.01 1.05 -0.04 2.29 1.04 0.12 -0.60 113.70 118.56 3mdn s SER 84 Ca -0.10 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.04 3mdn s SER 84 Cb -0.14 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.93 3mdn s SER 84 CO -0.01 0.01 -0.07 -2.28 0.98 0.00 0.00 173.24 171.87 3mdn s HIS 85 N -0.62 0.91 -0.85 5.02 2.46 -0.55 -0.99 115.29 120.67 3mdn s HIS 85 Ca -0.01 -0.27 0.01 0.00 0.47 0.00 0.00 55.06 55.26 3mdn s HIS 85 Cb -0.06 -0.74 0.29 0.00 -0.13 0.00 0.00 32.58 31.94 3mdn s HIS 85 CO 0.00 -0.19 1.17 0.28 -2.47 0.00 0.00 174.74 173.53 3mdn n VAL 86 N 3.86 4.00 -0.65 0.89 0.31 0.81 -1.90 118.33 125.65 3mdn n VAL 86 Ca -0.24 -5.62 0.03 0.00 -0.01 0.00 0.00 64.34 58.50 3mdn n VAL 86 Cb 0.52 -1.97 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 3mdn n VAL 86 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3mdn n ASN 97 N 0.84 -1.31 -0.52 4.52 2.85 -1.25 -2.39 115.26 118.00 3mdn n ASN 97 Ca 0.30 0.21 0.06 0.00 -0.11 0.00 0.00 54.58 55.03 3mdn n ASN 97 Cb 0.36 -2.04 0.09 0.00 1.24 0.00 0.00 39.78 39.42 3mdn n ASN 97 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3mdn n ASN 98 N -3.56 2.30 -4.82 1.20 3.02 -1.26 -4.23 115.26 107.92 3mdn n ASN 98 Ca -0.01 -1.66 -0.37 0.00 -0.03 0.00 0.00 54.58 52.51 3mdn n ASN 98 Cb 0.28 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 3mdn n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mdn s HIS 100 N -1.42 3.06 0.96 0.00 0.09 -1.26 -4.65 115.29 112.07 3mdn s HIS 100 Ca 0.40 -0.00 -0.12 0.00 -0.00 0.00 0.00 55.06 55.33 3mdn s HIS 100 Cb -0.17 -2.35 0.17 0.00 -0.00 0.00 0.00 32.58 30.22 3mdn s HIS 100 CO 0.21 -0.41 1.12 -2.14 -0.00 0.00 0.00 174.74 173.52 3mdn s PRO 101 N -4.49 0.75 0.17 8.40 0.02 -1.26 -3.46 135.00 135.12 3mdn s PRO 101 Ca 0.50 0.38 0.06 0.00 0.02 0.00 0.00 61.00 61.97 3mdn s PRO 101 Cb -0.10 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3mdn s PRO 101 CO 0.36 -2.48 0.04 -0.06 -0.33 0.00 0.00 177.00 174.53 3mdn s PHE 102 N -3.13 2.95 -0.01 6.54 0.08 -0.29 -4.93 117.98 119.19 3mdn s PHE 102 Ca 0.65 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.56 3mdn s PHE 102 Cb -0.17 -1.43 -0.00 0.00 -0.57 0.00 0.00 43.02 40.85 3mdn s PHE 102 CO 0.55 0.52 0.09 0.00 -0.10 0.00 0.00 175.22 176.28 3mdn s ALA 103 N -1.71 -0.21 -0.26 5.36 0.00 -1.26 -1.27 121.76 122.41 3mdn s ALA 103 Ca 0.28 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 3mdn s ALA 103 Cb -0.10 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.11 3mdn s ALA 103 CO 0.20 -0.14 0.67 0.00 0.00 0.00 0.00 175.76 176.49 3mdn s ALA 104 N -0.90 -1.73 0.00 0.00 0.00 -0.04 -5.00 121.76 114.08 3mdn s ALA 104 Ca -0.10 2.13 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3mdn s ALA 104 Cb -0.06 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.81 3mdn s ALA 104 CO 0.01 -0.35 0.00 0.54 0.00 0.00 0.00 175.76 175.96 3mdn n ARG 105 N 3.55 0.00 0.00 0.00 1.74 -1.26 -0.64 116.66 120.05 3mdn n ARG 105 Ca -0.17 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.06 3mdn n ARG 105 Cb 0.57 0.00 0.77 0.00 -1.02 0.00 0.00 32.46 32.78 3mdn n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mdn n ARG 106 N 14.00 0.57 -4.01 5.56 1.74 -1.26 -4.45 116.66 128.81 3mdn n ARG 106 Ca 0.00 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.71 3mdn n ARG 106 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 3mdn n ARG 106 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3mdn s TRP 107 N -2.45 3.40 0.12 -1.55 0.52 0.18 -4.06 118.94 115.10 3mdn s TRP 107 Ca 0.32 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.72 3mdn s TRP 107 Cb 0.21 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 3mdn s TRP 107 CO 0.45 0.59 -0.03 0.00 0.02 0.00 0.00 176.95 177.98 3mdn s PHE 109 N -3.68 0.20 0.00 0.00 2.19 -0.40 -1.75 117.98 114.54 3mdn s PHE 109 Ca 0.17 -0.67 0.00 0.00 0.33 0.00 0.00 56.93 56.76 3mdn s PHE 109 Cb 0.06 0.52 0.00 0.00 -1.31 0.00 0.00 43.02 42.28 3mdn s PHE 109 CO -0.01 -1.26 0.00 1.58 1.83 0.00 0.00 175.22 177.35 3mdn n HIS 111 N -0.48 0.00 -4.39 10.12 -0.00 -1.26 -1.14 115.22 118.08 3mdn n HIS 111 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.34 3mdn n HIS 111 Cb 0.60 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.46 3mdn n HIS 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mdn s ASN 112 N 0.00 4.31 0.00 0.26 3.04 0.14 -4.79 114.94 117.90 3mdn s ASN 112 Ca 0.00 -0.30 0.00 0.00 0.04 0.00 0.00 52.86 52.60 3mdn s ASN 112 Cb 0.00 -1.70 0.00 0.00 -1.54 0.00 0.00 41.25 38.01 3mdn s ASN 112 CO 0.00 0.10 0.00 0.61 -3.04 0.00 0.00 177.10 174.77 3mdn n GLY 113 N 3.95 0.64 3.51 1.21 0.00 -1.26 -0.96 105.19 112.28 3mdn n GLY 113 Ca -0.18 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 3mdn n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mdn s GLN 114 N -1.84 0.86 -0.27 1.61 -2.07 -0.65 -5.00 119.66 112.31 3mdn s GLN 114 Ca 0.00 -0.14 -0.05 0.00 -1.82 0.00 0.00 55.36 53.34 3mdn s GLN 114 Cb 0.00 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 3mdn s GLN 114 CO 0.00 -0.34 0.03 0.08 -1.32 0.00 0.00 175.29 173.74 3mdn s VAL 115 N -2.48 3.66 0.18 3.63 1.01 -1.26 -1.64 120.40 123.50 3mdn s VAL 115 Ca 0.01 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 3mdn s VAL 115 Cb -0.01 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 3mdn s VAL 115 CO -0.05 0.19 1.54 -0.83 0.00 0.00 0.00 175.10 175.95 3mdn s GLY 116 N 1.47 1.72 -0.74 4.51 0.00 -0.35 -2.16 107.32 111.78 3mdn s GLY 116 Ca 0.03 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.11 3mdn s GLY 116 CO 0.00 2.56 0.00 0.61 0.00 0.00 0.00 173.10 176.27 3mdn n GLY 117 N 3.43 0.90 0.27 0.20 0.00 -1.26 -2.52 105.19 106.22 3mdn n GLY 117 Ca 0.12 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.61 3mdn n GLY 117 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mdn h PHE 118 N 0.00 0.11 0.00 1.61 3.57 -1.81 -0.90 116.94 119.52 3mdn h PHE 118 Ca -0.14 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3mdn h PHE 118 Cb 0.50 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 3mdn h PHE 118 CO 0.23 -0.17 -0.03 1.49 -2.23 0.00 0.00 178.31 177.60 3mdn h GLU 119 N 0.18 0.00 0.00 1.11 4.57 -1.92 -0.93 114.58 117.59 3mdn h GLU 119 Ca 0.41 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.57 3mdn h GLU 119 Cb 0.72 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3mdn h GLU 119 CO -0.58 0.03 -0.11 0.00 -1.18 0.00 0.00 179.01 177.17 3mdn h ALA 120 N 1.97 0.99 0.00 2.92 0.00 -1.50 -3.25 119.26 120.38 3mdn h ALA 120 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3mdn h ALA 120 Cb 0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 3mdn h ALA 120 CO 0.00 0.14 -0.60 1.97 0.00 0.00 0.00 179.25 180.77 3mdn n PHE 121 N -3.21 0.00 -0.31 0.00 -1.74 -0.47 -4.89 117.46 106.85 3mdn n PHE 121 Ca 0.01 -0.93 0.05 0.00 -0.56 0.00 0.00 57.45 56.03 3mdn n PHE 121 Cb 0.42 -0.18 0.20 0.00 1.52 0.00 0.00 39.48 41.44 3mdn n PHE 121 CO 0.00 0.00 0.00 -0.09 -0.56 0.00 0.00 176.76 176.11 3mdn h ARG 122 N 0.73 0.77 -0.33 3.97 2.43 -1.30 -2.17 114.38 118.47 3mdn h ARG 122 Ca -0.07 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3mdn h ARG 122 Cb 1.33 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 3mdn h ARG 122 CO 0.03 0.51 0.12 -0.22 -1.51 0.00 0.00 179.97 178.89 3mdn h LYS 123 N 0.79 0.25 -0.55 0.20 3.64 -1.89 -0.25 116.57 118.76 3mdn h LYS 123 Ca 0.44 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 3mdn h LYS 123 Cb 0.48 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3mdn h LYS 123 CO -0.28 0.17 0.26 1.96 -2.27 0.00 0.00 179.45 179.28 3mdn h GLN 124 N 0.26 0.78 -0.13 1.90 7.50 -1.80 -2.85 115.11 120.76 3mdn h GLN 124 Ca 0.15 -0.10 -0.05 0.00 0.50 0.00 0.00 58.65 59.15 3mdn h GLN 124 Cb 0.12 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 3mdn h GLN 124 CO -0.15 0.61 -0.11 0.00 -1.50 0.00 0.00 178.83 177.68 3mdn h ALA 125 N 1.51 0.19 0.00 3.87 0.00 -0.90 -3.10 119.26 120.84 3mdn h ALA 125 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mdn h ALA 125 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mdn h ALA 125 CO -0.03 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3mdn n ASP 126 N -4.61 0.00 0.00 0.00 8.00 -0.17 -3.56 116.55 116.21 3mdn n ASP 126 Ca -0.06 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3mdn n ASP 126 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3mdn n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mdn n ALA 128 N 1.20 0.00 -2.30 2.24 0.00 -1.17 -4.82 120.51 115.66 3mdn n ALA 128 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3mdn n ALA 128 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3mdn n ALA 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mdn s ILE 129 N 0.00 3.71 0.53 0.00 1.01 -1.23 -4.95 121.20 120.26 3mdn s ILE 129 Ca 0.00 1.24 -0.22 0.00 0.00 0.00 0.00 60.65 61.66 3mdn s ILE 129 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 3mdn s ILE 129 CO 0.00 0.10 1.33 0.00 0.00 0.00 0.00 174.94 176.38 3mdn n ALA 130 N 3.84 1.51 -0.32 9.38 0.00 -1.26 -4.81 120.51 128.84 3mdn n ALA 130 Ca 0.10 0.14 0.23 0.00 0.00 0.00 0.00 53.44 53.91 3mdn n ALA 130 Cb 0.45 -2.34 0.50 0.00 0.00 0.00 0.00 19.45 18.06 3mdn n ALA 130 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3mdn h ASP 131 N 1.51 0.46 -0.43 0.00 3.45 -1.98 -0.84 116.42 118.59 3mdn h ASP 131 Ca -0.50 0.09 -0.05 0.00 0.43 0.00 0.00 57.03 56.99 3mdn h ASP 131 Cb 1.30 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.06 3mdn h ASP 131 CO 0.57 0.09 0.11 -0.08 -1.57 0.00 0.00 179.24 178.36 3mdn h GLU 132 N 0.40 0.76 -0.10 3.56 4.81 -2.02 -3.08 114.58 118.91 3mdn h GLU 132 Ca 0.60 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3mdn h GLU 132 Cb 1.49 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3mdn h GLU 132 CO -0.31 0.69 0.00 1.19 -0.73 0.00 0.00 179.01 179.86 3mdn n PHE 133 N -4.28 0.11 -0.03 0.92 3.72 -0.37 -4.53 117.46 112.99 3mdn n PHE 133 Ca 0.03 -0.06 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 3mdn n PHE 133 Cb 0.22 -0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.89 3mdn n PHE 133 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3mdn h TYR 134 N 4.43 0.71 -0.34 1.38 5.03 -1.33 -2.07 116.97 124.79 3mdn h TYR 134 Ca 0.00 -0.17 0.10 0.00 2.58 0.00 0.00 58.73 61.24 3mdn h TYR 134 Cb 0.95 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 3mdn h TYR 134 CO 0.05 0.84 0.45 0.00 -1.32 0.00 0.00 178.16 178.19 3mdn h THR 135 N 0.53 0.28 -0.00 1.81 1.03 -1.80 0.10 112.91 114.87 3mdn h THR 135 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.47 3mdn h THR 135 Cb 0.77 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 3mdn h THR 135 CO 0.06 0.00 -0.14 -1.22 -0.01 0.00 0.00 175.52 174.21 3mdn n TYR 136 N -3.52 0.00 -2.64 0.00 4.02 -0.78 -4.75 117.16 109.50 3mdn n TYR 136 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 3mdn n TYR 136 Cb 0.60 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 3mdn n TYR 136 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3mdn s ARG 137 N -2.54 3.30 -0.09 -0.72 6.06 0.02 -4.80 118.95 120.18 3mdn s ARG 137 Ca 0.26 -0.16 0.12 0.00 -2.50 0.00 0.00 55.73 53.45 3mdn s ARG 137 Cb 0.20 -4.12 -0.17 0.00 0.06 0.00 0.00 34.95 30.92 3mdn s ARG 137 CO 0.50 -1.87 0.12 1.63 -2.50 0.00 0.00 175.30 173.18 3mdn n LYS 138 N 8.61 1.49 0.00 5.12 4.76 -1.26 -5.05 118.16 131.83 3mdn n LYS 138 Ca 0.04 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3mdn n LYS 138 Cb 0.48 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 3mdn n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mdn n GLY 139 N 2.09 6.68 0.04 0.72 0.00 -1.26 -3.84 105.19 109.61 3mdn n GLY 139 Ca -0.14 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 43.93 3mdn n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mdn n SER 140 N 0.00 1.46 -4.80 1.61 3.41 -1.26 -4.95 113.62 109.09 3mdn n SER 140 Ca 0.00 -1.91 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 3mdn n SER 140 Cb 0.00 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 63.95 3mdn n SER 140 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mdn s THR 141 N -0.96 3.77 0.23 6.66 -4.23 -1.26 -4.95 115.64 114.90 3mdn s THR 141 Ca 0.04 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 3mdn s THR 141 Cb 0.04 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.69 3mdn s THR 141 CO 0.00 -0.74 1.64 -2.24 -0.54 0.00 0.00 174.62 172.74 3mdn h ASP 142 N -0.83 0.73 -0.73 3.99 3.04 -1.97 -3.24 116.42 117.41 3mdn h ASP 142 Ca -0.44 -0.26 -0.03 0.00 -3.24 0.00 0.00 57.03 53.06 3mdn h ASP 142 Cb 1.22 -0.20 -0.03 0.00 -1.04 0.00 0.00 39.33 39.28 3mdn h ASP 142 CO 0.55 0.94 0.35 0.28 -2.04 0.00 0.00 179.24 179.32 3mdn h SER 143 N 0.63 0.96 -0.68 4.15 0.02 -1.96 -0.44 113.55 116.22 3mdn h SER 143 Ca 0.09 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3mdn h SER 143 Cb 0.73 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3mdn h SER 143 CO 0.06 0.82 0.37 -0.08 -1.14 0.00 0.00 176.83 176.86 3mdn h GLU 144 N 1.02 0.95 -0.13 3.45 4.81 -1.96 -1.50 114.58 121.22 3mdn h GLU 144 Ca 0.25 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3mdn h GLU 144 Cb 0.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3mdn h GLU 144 CO -0.03 0.72 -0.42 0.28 -0.73 0.00 0.00 179.01 178.83 3mdn h VAL 145 N 0.93 1.31 -0.30 0.32 2.07 -1.44 -1.03 116.25 118.12 3mdn h VAL 145 Ca 0.24 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3mdn h VAL 145 Cb 0.04 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3mdn h VAL 145 CO -0.04 0.47 0.19 0.25 0.02 0.00 0.00 177.57 178.46 3mdn h LEU 146 N 0.24 0.35 -0.23 2.57 5.85 -0.54 0.14 115.31 123.69 3mdn h LEU 146 Ca 0.02 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3mdn h LEU 146 Cb 0.84 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3mdn h LEU 146 CO 0.07 0.27 0.07 0.15 -0.34 0.00 0.00 178.44 178.66 3mdn h PHE 147 N 0.39 0.13 -0.01 1.25 3.57 -0.97 -0.77 116.94 120.52 3mdn h PHE 147 Ca 0.11 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3mdn h PHE 147 Cb -0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3mdn h PHE 147 CO -0.05 0.06 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.36 3mdn h LEU 148 N 0.18 0.06 -0.43 0.59 3.38 -0.93 -1.03 115.31 117.13 3mdn h LEU 148 Ca 0.10 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3mdn h LEU 148 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3mdn h LEU 148 CO -0.11 0.70 0.02 -0.07 0.09 0.00 0.00 178.44 179.08 3mdn h LEU 149 N 0.04 0.72 -0.84 1.67 3.38 -0.62 -0.70 115.31 118.96 3mdn h LEU 149 Ca -0.01 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3mdn h LEU 149 Cb 1.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 3mdn h LEU 149 CO 0.09 0.84 0.56 0.00 0.09 0.00 0.00 178.44 180.01 3mdn h ALA 150 N 0.91 1.07 -0.62 1.53 0.00 -0.86 0.46 119.26 121.75 3mdn h ALA 150 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mdn h ALA 150 Cb 0.45 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3mdn h ALA 150 CO 0.02 0.46 0.38 -0.07 0.00 0.00 0.00 179.25 180.05 3mdn h LEU 151 N 1.13 0.74 -2.08 0.00 3.38 -1.07 -0.42 115.31 117.00 3mdn h LEU 151 Ca 0.31 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3mdn h LEU 151 Cb -0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3mdn h LEU 151 CO -0.07 0.57 -0.08 0.28 0.09 0.00 0.00 178.44 179.23 3mdn h SER 152 N 0.84 0.00 -0.44 -0.43 0.02 -0.46 -1.28 113.55 111.80 3mdn h SER 152 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3mdn h SER 152 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3mdn h SER 152 CO -0.04 0.08 0.00 -0.62 -1.14 0.00 0.00 176.83 175.11 3mdn n GLU 153 N -3.89 2.23 -0.26 3.45 -0.58 0.09 -4.91 120.64 116.78 3mdn n GLU 153 Ca -0.02 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.82 3mdn n GLU 153 Cb 0.17 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3mdn n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mdn n GLY 154 N 1.37 1.51 0.32 0.62 0.00 -0.48 -4.37 105.19 104.16 3mdn n GLY 154 Ca 0.18 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3mdn n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mdn h LEU 155 N 0.00 0.36 -2.01 0.99 5.85 -1.16 0.15 115.31 119.49 3mdn h LEU 155 Ca 0.00 0.16 0.13 0.00 0.84 0.00 0.00 57.88 59.01 3mdn h LEU 155 Cb 0.11 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3mdn h LEU 155 CO 0.00 -0.02 0.33 -0.33 -0.34 0.00 0.00 178.44 178.09 3mdn h GLU 156 N 0.40 0.00 0.00 1.25 5.08 -1.85 -3.13 114.58 116.32 3mdn h GLU 156 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 3mdn h GLU 156 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3mdn h GLU 156 CO -0.54 0.00 -1.21 -2.39 -1.00 0.00 0.00 179.01 173.86 3mdn n HIS 157 N -4.32 0.00 -3.26 4.33 1.44 -0.34 -4.90 115.22 108.16 3mdn n HIS 157 Ca 0.08 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.56 3mdn n HIS 157 Cb 0.53 -0.13 -0.08 0.00 0.12 0.00 0.00 29.99 30.44 3mdn n HIS 157 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3mdn n ASP 158 N -1.67 -0.83 -0.09 4.39 2.03 0.37 -5.02 116.55 115.74 3mdn n ASP 158 Ca -0.01 -2.51 -0.09 0.00 0.52 0.00 0.00 54.79 52.70 3mdn n ASP 158 Cb 0.15 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.32 3mdn n ASP 158 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3mdn h PRO 159 N 5.26 0.40 0.36 -0.67 0.11 -1.77 -1.25 132.00 134.45 3mdn h PRO 159 Ca 0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3mdn h PRO 159 Cb 0.93 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3mdn h PRO 159 CO 0.34 0.31 -0.44 1.25 -0.21 0.00 0.00 178.00 179.25 3mdn h HIS 160 N 0.38 -1.22 -0.57 0.65 -0.00 -1.95 -2.48 115.15 109.96 3mdn h HIS 160 Ca 0.11 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.54 3mdn h HIS 160 Cb 0.01 0.49 -0.05 0.00 -0.00 0.00 0.00 27.41 27.86 3mdn h HIS 160 CO -0.04 -0.56 0.30 0.78 -0.00 0.00 0.00 177.93 178.40 3mdn h GLY 161 N -0.82 0.81 0.92 5.26 0.00 -1.95 -2.43 103.07 104.86 3mdn h GLY 161 Ca -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3mdn h GLY 161 CO -0.09 0.13 0.10 0.00 0.00 0.00 0.00 176.54 176.67 3mdn h ALA 162 N 1.30 0.46 -0.41 3.60 0.00 -1.19 -0.97 119.26 122.06 3mdn h ALA 162 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3mdn h ALA 162 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3mdn h ALA 162 CO -0.17 0.12 0.15 1.25 0.00 0.00 0.00 179.25 180.60 3mdn h LEU 163 N 0.42 0.57 -0.55 0.00 5.85 -1.41 0.37 115.31 120.56 3mdn h LEU 163 Ca 0.11 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.76 3mdn h LEU 163 Cb 0.28 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 3mdn h LEU 163 CO -0.00 0.59 -0.03 0.00 -0.34 0.00 0.00 178.44 178.66 3mdn h ALA 164 N 1.00 0.49 -0.30 1.25 0.00 -1.19 0.21 119.26 120.72 3mdn h ALA 164 Ca 0.13 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 3mdn h ALA 164 Cb 0.21 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3mdn h ALA 164 CO -0.01 -0.40 -0.45 0.00 0.00 0.00 0.00 179.25 178.39 3mdn h ARG 165 N 0.08 0.77 -0.29 0.00 3.08 -0.99 -1.22 114.38 115.80 3mdn h ARG 165 Ca 0.28 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3mdn h ARG 165 Cb 0.43 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3mdn h ARG 165 CO -0.49 1.06 0.09 0.00 -1.07 0.00 0.00 179.97 179.55 3mdn h ALA 166 N 0.87 0.39 -0.31 0.04 0.00 -0.25 -2.07 119.26 117.93 3mdn h ALA 166 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3mdn h ALA 166 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3mdn h ALA 166 CO 0.10 0.03 0.18 0.82 0.00 0.00 0.00 179.25 180.38 3mdn h ILE 167 N 0.31 1.04 -0.95 0.00 2.04 -0.55 -2.13 117.51 117.27 3mdn h ILE 167 Ca 0.09 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3mdn h ILE 167 Cb 0.25 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3mdn h ILE 167 CO -0.00 0.07 0.61 0.00 0.00 0.00 0.00 178.15 178.82 3mdn h ALA 168 N 1.14 1.29 -0.28 1.87 0.00 -1.17 0.14 119.26 122.26 3mdn h ALA 168 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mdn h ALA 168 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3mdn h ALA 168 CO -0.06 0.41 0.04 -0.09 0.00 0.00 0.00 179.25 179.55 3mdn h ARG 169 N 1.12 0.47 -0.36 0.00 2.43 -1.10 -1.92 114.38 115.03 3mdn h ARG 169 Ca 0.40 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3mdn h ARG 169 Cb 0.12 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3mdn h ARG 169 CO -0.16 0.59 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.65 3mdn h LEU 170 N 0.28 0.77 -0.88 3.80 3.38 -0.98 -1.88 115.31 119.79 3mdn h LEU 170 Ca 0.08 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.74 3mdn h LEU 170 Cb 0.35 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3mdn h LEU 170 CO 0.01 1.00 0.53 -0.08 0.09 0.00 0.00 178.44 179.99 3mdn h GLU 171 N 0.53 0.89 -0.24 1.13 4.81 -0.72 -0.13 114.58 120.85 3mdn h GLU 171 Ca 0.08 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 3mdn h GLU 171 Cb 0.71 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3mdn h GLU 171 CO 0.05 0.59 -0.48 0.78 -0.73 0.00 0.00 179.01 179.22 3mdn h GLY 172 N 0.91 0.69 0.98 1.92 0.00 -1.18 -0.25 103.07 106.14 3mdn h GLY 172 Ca 0.41 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3mdn h GLY 172 CO -0.22 0.68 0.45 1.41 0.00 0.00 0.00 176.54 178.85 3mdn h LEU 173 N 0.50 0.76 -0.48 3.11 3.38 -1.00 -0.61 115.31 120.98 3mdn h LEU 173 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mdn h LEU 173 Cb 1.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3mdn h LEU 173 CO 0.10 0.55 0.29 -1.28 0.09 0.00 0.00 178.44 178.18 3mdn h SER 174 N 0.90 0.58 -0.77 -0.43 0.87 -0.72 0.51 113.55 114.49 3mdn h SER 174 Ca 0.25 -0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.84 3mdn h SER 174 Cb -0.08 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 61.67 3mdn h SER 174 CO -0.07 0.47 0.43 0.03 -0.53 0.00 0.00 176.83 177.16 3mdn h ARG 175 N 0.64 0.72 0.03 2.24 3.08 -0.74 0.49 114.38 120.85 3mdn h ARG 175 Ca 0.17 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.00 3mdn h ARG 175 Cb -0.00 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 29.90 3mdn h ARG 175 CO -0.03 0.48 -0.72 0.00 -1.07 0.00 0.00 179.97 178.62 3mdn h ALA 176 N 1.42 0.04 0.00 0.04 0.00 -0.66 -3.40 119.26 116.70 3mdn h ALA 176 Ca 0.36 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mdn h ALA 176 Cb 0.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mdn h ALA 176 CO -0.23 0.41 0.00 0.72 0.00 0.00 0.00 179.25 180.14 3mdn n HIS 177 N -4.14 0.00 -0.91 0.00 8.25 0.18 -5.08 115.22 113.52 3mdn n HIS 177 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3mdn n HIS 177 Cb 0.74 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 3mdn n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mdn n GLY 178 N 0.62 3.39 1.35 -1.41 0.00 0.17 -4.74 105.19 104.56 3mdn n GLY 178 Ca 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 3mdn n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mdn n THR 179 N 0.00 0.00 -3.15 2.61 -2.24 -1.05 -4.86 114.28 105.59 3mdn n THR 179 Ca 0.00 -1.02 -0.33 0.00 -2.27 0.00 0.00 64.05 60.44 3mdn n THR 179 Cb 0.00 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3mdn n THR 179 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3mdn s THR 180 N -2.52 4.69 0.22 4.28 -1.32 -1.26 -3.69 115.64 116.03 3mdn s THR 180 Ca 0.16 0.95 -0.30 0.00 -1.21 0.00 0.00 61.69 61.29 3mdn s THR 180 Cb 0.01 -3.64 -0.08 0.00 -1.51 0.00 0.00 72.50 67.28 3mdn s THR 180 CO 0.11 -0.13 1.10 -2.16 -2.21 0.00 0.00 174.62 171.33 3mdn s PRO 181 N -2.85 4.62 0.00 7.08 0.04 -1.26 -4.77 135.00 137.85 3mdn s PRO 181 Ca 0.52 1.74 0.12 0.00 0.04 0.00 0.00 61.00 63.42 3mdn s PRO 181 Cb -0.11 -3.24 0.70 0.00 0.04 0.00 0.00 34.50 31.88 3mdn s PRO 181 CO 0.18 0.14 1.13 0.72 0.04 0.00 0.00 177.00 179.21 3mdn n HIS 182 N 1.92 0.00 -3.51 0.56 8.25 -1.24 -1.21 115.22 119.99 3mdn n HIS 182 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3mdn n HIS 182 Cb 0.46 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 3mdn n HIS 182 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3mdn s ARG 184 N -2.00 0.25 -0.09 -0.41 0.52 -0.65 -3.38 118.95 113.19 3mdn s ARG 184 Ca 0.18 0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 55.87 3mdn s ARG 184 Cb 0.08 0.18 0.05 0.00 0.52 0.00 0.00 34.95 35.78 3mdn s ARG 184 CO 0.14 -0.07 0.19 -1.17 0.02 0.00 0.00 175.30 174.41 3mdn s LEU 185 N 1.74 0.08 -0.07 2.53 0.20 0.25 -1.63 118.68 121.78 3mdn s LEU 185 Ca -0.06 0.41 0.05 0.00 0.69 0.00 0.00 54.13 55.23 3mdn s LEU 185 Cb -0.04 0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 46.16 3mdn s LEU 185 CO -0.15 -0.22 -0.23 -0.94 -0.29 0.00 0.00 176.35 174.52 3mdn s SER 186 N 1.99 2.92 0.01 3.68 1.04 -0.13 -0.77 113.70 122.44 3mdn s SER 186 Ca -0.01 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3mdn s SER 186 Cb -0.12 -0.95 -0.01 0.00 0.10 0.00 0.00 66.02 65.04 3mdn s SER 186 CO -0.07 0.21 -0.07 0.00 0.98 0.00 0.00 173.24 174.29 3mdn s ALA 187 N 0.01 0.55 -0.03 5.32 0.00 -0.47 0.24 121.76 127.38 3mdn s ALA 187 Ca -0.08 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.50 3mdn s ALA 187 Cb -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3mdn s ALA 187 CO 0.05 0.08 -0.22 0.00 0.00 0.00 0.00 175.76 175.67 3mdn s ALA 188 N -0.56 1.87 0.06 0.00 0.00 -1.26 -1.21 121.76 120.66 3mdn s ALA 188 Ca -0.02 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 3mdn s ALA 188 Cb -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.58 3mdn s ALA 188 CO 0.00 0.41 0.49 -0.59 0.00 0.00 0.00 175.76 176.06 3mdn s PHE 189 N -0.30 -0.37 0.06 0.00 -0.71 -0.15 -4.31 117.98 112.20 3mdn s PHE 189 Ca 0.03 0.33 -0.18 0.00 -1.04 0.00 0.00 56.93 56.06 3mdn s PHE 189 Cb -0.11 0.32 0.04 0.00 -1.21 0.00 0.00 43.02 42.06 3mdn s PHE 189 CO 0.01 -0.65 0.43 0.45 -1.34 0.00 0.00 175.22 174.12 3mdn s SER 190 N -2.14 -0.30 -0.07 1.98 0.15 -0.72 -0.09 113.70 112.52 3mdn s SER 190 Ca -0.04 -0.05 0.12 0.00 0.70 0.00 0.00 55.95 56.69 3mdn s SER 190 Cb -0.00 0.45 0.37 0.00 -1.71 0.00 0.00 66.02 65.12 3mdn s SER 190 CO -0.04 -0.71 1.30 -0.90 1.20 0.00 0.00 173.24 174.08 3mdn n ASP 191 N 0.33 3.20 0.00 5.45 5.68 -1.19 -1.78 116.55 128.23 3mdn n ASP 191 Ca -0.18 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.70 3mdn n ASP 191 Cb 0.61 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3mdn n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mdn n GLY 192 N 0.00 2.38 0.24 6.12 0.00 -1.26 -4.78 105.19 107.90 3mdn n GLY 192 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3mdn n GLY 192 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mdn n GLN 193 N -2.00 0.00 -4.89 1.61 1.13 -1.26 -4.99 117.38 106.98 3mdn n GLN 193 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 3mdn n GLN 193 Cb 0.00 -0.80 -0.13 0.00 0.11 0.00 0.00 30.24 29.42 3mdn n GLN 193 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3mdn s THR 194 N -1.84 2.95 -0.19 5.09 2.01 -1.26 -4.67 115.64 117.73 3mdn s THR 194 Ca 0.00 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 3mdn s THR 194 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 3mdn s THR 194 CO 0.00 0.55 0.06 -0.22 -0.69 0.00 0.00 174.62 174.32 3mdn s LEU 195 N -0.84 3.72 0.09 4.42 2.96 0.69 -3.18 118.68 126.54 3mdn s LEU 195 Ca 0.12 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 3mdn s LEU 195 Cb -0.11 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3mdn s LEU 195 CO 0.01 0.14 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.73 3mdn s TYR 196 N 0.57 2.64 0.00 5.38 1.51 0.87 0.54 117.35 128.86 3mdn s TYR 196 Ca 0.03 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3mdn s TYR 196 Cb -0.13 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 3mdn s TYR 196 CO 0.01 0.37 0.04 0.00 -1.11 0.00 0.00 175.55 174.87 3mdn s ALA 197 N -1.11 -0.08 -0.02 3.71 0.00 0.03 -0.98 121.76 123.31 3mdn s ALA 197 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 3mdn s ALA 197 Cb -0.11 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3mdn s ALA 197 CO 0.10 -0.15 0.09 0.00 0.00 0.00 0.00 175.76 175.80 3mdn s ALA 198 N -1.11 -0.20 -0.09 0.00 0.00 -0.35 0.72 121.76 120.73 3mdn s ALA 198 Ca -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 3mdn s ALA 198 Cb -0.07 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.05 3mdn s ALA 198 CO 0.00 -0.12 -0.03 0.50 0.00 0.00 0.00 175.76 176.11 3mdn s ARG 199 N -0.65 0.97 -0.04 0.00 3.52 -0.78 -1.37 118.95 120.60 3mdn s ARG 199 Ca -0.07 -0.04 -0.17 0.00 -0.13 0.00 0.00 55.73 55.31 3mdn s ARG 199 Cb -0.04 -1.20 0.03 0.00 -1.56 0.00 0.00 34.95 32.18 3mdn s ARG 199 CO 0.00 -0.27 0.38 -0.47 -0.81 0.00 0.00 175.30 174.13 3mdn s TYR 200 N 1.81 -0.29 -0.04 5.12 5.04 0.05 0.10 117.35 129.12 3mdn s TYR 200 Ca 0.04 0.53 -0.13 0.00 -2.44 0.00 0.00 57.07 55.07 3mdn s TYR 200 Cb -0.12 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.36 3mdn s TYR 200 CO -0.06 -0.39 0.29 0.45 -1.34 0.00 0.00 175.55 174.50 3mdn s SER 201 N -1.04 -0.21 0.00 4.32 0.15 -1.26 -0.58 113.70 115.08 3mdn s SER 201 Ca -0.11 0.21 0.25 0.00 0.70 0.00 0.00 55.95 57.00 3mdn s SER 201 Cb -0.04 0.39 1.37 0.00 -1.71 0.00 0.00 66.02 66.03 3mdn s SER 201 CO 0.04 -0.35 1.84 -1.54 1.20 0.00 0.00 173.24 174.44 3mdn n SER 202 N 1.74 0.00 -0.33 5.45 3.41 -1.26 -4.88 113.62 117.75 3mdn n SER 202 Ca -0.19 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 3mdn n SER 202 Cb 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3mdn n SER 202 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mdn n ASP 203 N -1.15 0.00 0.01 4.04 5.68 -1.26 -4.95 116.55 118.92 3mdn n ASP 203 Ca 0.15 -0.33 0.13 0.00 -0.50 0.00 0.00 54.79 54.24 3mdn n ASP 203 Cb 0.14 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.66 3mdn n ASP 203 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3mdn n HIS 204 N 0.00 0.10 -3.71 2.11 8.25 -1.26 -4.67 115.22 116.04 3mdn n HIS 204 Ca 0.00 0.03 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 3mdn n HIS 204 Cb 0.00 -0.55 -0.12 0.00 1.12 0.00 0.00 29.99 30.44 3mdn n HIS 204 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mdn s ILE 205 N -3.02 4.58 -0.08 1.59 1.01 -1.26 -5.07 121.20 118.96 3mdn s ILE 205 Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3mdn s ILE 205 Cb 0.16 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3mdn s ILE 205 CO 0.48 0.30 -0.14 0.00 0.00 0.00 0.00 174.94 175.59 3mdn s ALA 206 N 1.65 1.44 0.25 9.38 0.00 -1.26 -4.78 121.76 128.44 3mdn s ALA 206 Ca 0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 3mdn s ALA 206 Cb -0.15 -0.65 -0.15 0.00 0.00 0.00 0.00 23.12 22.17 3mdn s ALA 206 CO 0.06 0.09 0.99 -2.30 0.00 0.00 0.00 175.76 174.59 3mdn n PRO 207 N 3.88 1.12 -2.35 0.00 -0.02 -1.26 -4.85 135.00 131.51 3mdn n PRO 207 Ca -0.21 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.34 3mdn n PRO 207 Cb 0.52 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 3mdn n PRO 207 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mdn s SER 208 N -0.47 6.46 -0.03 2.55 1.04 -1.26 -4.59 113.70 117.41 3mdn s SER 208 Ca 0.63 1.64 -0.01 0.00 0.48 0.00 0.00 55.95 58.69 3mdn s SER 208 Cb -0.77 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 62.86 3mdn s SER 208 CO 0.57 -0.70 0.04 -0.69 0.98 0.00 0.00 173.24 173.45 3mdn s VAL 209 N -2.54 -0.08 0.11 5.02 1.01 -1.26 -3.00 120.40 119.66 3mdn s VAL 209 Ca 0.60 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.92 3mdn s VAL 209 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3mdn s VAL 209 CO 0.31 0.11 -0.14 -0.31 0.00 0.00 0.00 175.10 175.07 3mdn s TYR 210 N 1.40 1.37 0.04 5.22 1.51 0.27 -0.44 117.35 126.73 3mdn s TYR 210 Ca -0.05 -0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 55.38 3mdn s TYR 210 Cb -0.13 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 3mdn s TYR 210 CO -0.03 0.12 0.22 1.52 -1.11 0.00 0.00 175.55 176.27 3mdn s TYR 211 N -1.88 0.03 -0.19 2.71 -0.85 -0.43 0.28 117.35 117.02 3mdn s TYR 211 Ca 0.06 -0.24 -0.28 0.00 -0.52 0.00 0.00 57.07 56.09 3mdn s TYR 211 Cb -0.06 -0.00 0.10 0.00 0.38 0.00 0.00 41.96 42.37 3mdn s TYR 211 CO 0.03 -0.45 0.88 0.50 -1.52 0.00 0.00 175.55 174.98 3mdn s ARG 212 N -2.63 0.73 -0.08 -3.49 3.52 0.02 -0.49 118.95 116.53 3mdn s ARG 212 Ca -0.05 0.47 -0.26 0.00 -0.13 0.00 0.00 55.73 55.77 3mdn s ARG 212 Cb -0.01 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 3mdn s ARG 212 CO -0.04 -0.17 0.81 -0.47 -0.81 0.00 0.00 175.30 174.62 3mdn s TYR 213 N -0.45 3.55 -0.41 5.12 6.14 -1.26 -0.90 117.35 129.13 3mdn s TYR 213 Ca -0.02 1.36 -0.10 0.00 0.64 0.00 0.00 57.07 58.95 3mdn s TYR 213 Cb -0.03 -2.95 0.07 0.00 0.42 0.00 0.00 41.96 39.48 3mdn s TYR 213 CO 0.01 -0.04 0.25 0.45 0.64 0.00 0.00 175.55 176.86 3mdn s SER 214 N 0.96 5.66 0.26 4.32 0.15 -0.18 -4.97 113.70 119.91 3mdn s SER 214 Ca 0.41 -1.40 -0.03 0.00 0.70 0.00 0.00 55.95 55.63 3mdn s SER 214 Cb -0.18 -2.00 0.34 0.00 -1.71 0.00 0.00 66.02 62.47 3mdn s SER 214 CO 0.19 -0.51 1.85 0.45 1.20 0.00 0.00 173.24 176.42 3mdn h HIS 215 N 8.42 1.02 -0.27 3.44 -0.00 -1.96 0.83 115.15 126.63 3mdn h HIS 215 Ca -0.24 -0.06 0.06 0.00 -0.00 0.00 0.00 60.37 60.14 3mdn h HIS 215 Cb 1.09 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 28.12 3mdn h HIS 215 CO 0.61 0.77 -0.19 0.00 -0.00 0.00 0.00 177.93 179.11 3mdn h ALA 216 N 1.33 -0.02 0.00 2.45 0.00 -1.96 -2.56 119.26 118.49 3mdn h ALA 216 Ca 0.24 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3mdn h ALA 216 Cb 0.16 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3mdn h ALA 216 CO -0.02 -0.60 -0.58 0.00 0.00 0.00 0.00 179.25 178.04 3mdn h ARG 217 N -0.18 0.00 -5.38 0.00 3.08 -1.89 -3.48 114.38 106.53 3mdn h ARG 217 Ca 0.15 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.01 3mdn h ARG 217 Cb 0.40 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.60 3mdn h ARG 217 CO -0.38 0.05 -0.65 1.04 -1.07 0.00 0.00 179.97 178.97 3mdn n GLN 218 N -2.90 -2.00 -3.63 0.04 1.13 0.29 -4.44 117.38 105.87 3mdn n GLN 218 Ca 0.01 0.99 0.02 0.00 -1.94 0.00 0.00 57.00 56.09 3mdn n GLN 218 Cb 0.57 -5.74 -0.00 0.00 0.11 0.00 0.00 30.24 25.18 3mdn n GLN 218 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3mdn s GLY 219 N -3.29 -0.42 -0.02 1.08 0.00 -1.10 -1.57 107.32 102.01 3mdn s GLY 219 Ca 0.35 0.71 -0.16 0.00 0.00 0.00 0.00 44.72 45.61 3mdn s GLY 219 CO 0.73 0.48 0.45 -0.98 0.00 0.00 0.00 173.10 173.77 3mdn s TRP 220 N -2.32 3.69 -0.10 1.90 0.52 0.36 -1.01 118.94 121.99 3mdn s TRP 220 Ca 0.15 1.01 0.02 0.00 0.02 0.00 0.00 56.10 57.30 3mdn s TRP 220 Cb 0.05 -2.38 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 3mdn s TRP 220 CO -0.04 0.53 -0.16 0.00 0.02 0.00 0.00 176.95 177.30 3mdn s ALA 221 N -0.69 2.53 -0.08 0.98 0.00 -0.08 -1.32 121.76 123.10 3mdn s ALA 221 Ca 0.25 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3mdn s ALA 221 Cb -0.17 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3mdn s ALA 221 CO 0.13 0.36 -0.13 0.08 0.00 0.00 0.00 175.76 176.20 3mdn s VAL 222 N -0.01 1.27 0.08 0.00 1.01 -0.53 -0.80 120.40 121.42 3mdn s VAL 222 Ca -0.05 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3mdn s VAL 222 Cb -0.14 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3mdn s VAL 222 CO 0.04 0.39 -0.12 0.68 0.00 0.00 0.00 175.10 176.09 3mdn s VAL 223 N 0.85 0.99 -0.07 2.92 -7.23 0.14 -0.48 120.40 117.52 3mdn s VAL 223 Ca -0.11 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3mdn s VAL 223 Cb -0.15 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.70 3mdn s VAL 223 CO 0.01 -0.35 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.78 3mdn s SER 224 N -1.95 1.85 -1.32 4.85 0.15 -0.40 -0.57 113.70 116.31 3mdn s SER 224 Ca -0.01 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 3mdn s SER 224 Cb -0.08 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 3mdn s SER 224 CO 0.01 0.03 0.73 -0.62 1.20 0.00 0.00 173.24 174.60 3mdn n GLU 225 N 3.86 -5.04 0.00 5.44 4.71 -1.16 -2.22 120.64 126.24 3mdn n GLU 225 Ca -0.22 0.63 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 3mdn n GLU 225 Cb 0.52 -5.23 0.00 0.00 -1.01 0.00 0.00 31.44 25.72 3mdn n GLU 225 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3mdn n PRO 226 N -4.31 0.00 0.00 3.49 -0.04 -1.26 -4.74 135.00 128.13 3mdn n PRO 226 Ca -0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 3mdn n PRO 226 Cb 0.66 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 3mdn n PRO 226 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3mdn n TRP 234 N 0.00 0.00 -3.62 0.54 7.02 -1.26 -5.18 117.44 114.94 3mdn n TRP 234 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.11 3mdn n TRP 234 Cb 0.00 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 3mdn n TRP 234 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3mdn s THR 235 N -0.63 5.34 -0.02 -0.99 2.01 0.36 -4.90 115.64 116.81 3mdn s THR 235 Ca 0.00 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 3mdn s THR 235 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3mdn s THR 235 CO 0.00 0.34 1.12 -0.70 -0.69 0.00 0.00 174.62 174.69 3mdn s GLU 236 N 0.99 4.43 -0.38 4.92 2.12 -1.26 -1.31 118.70 128.20 3mdn s GLU 236 Ca 0.10 1.60 -0.28 0.00 0.36 0.00 0.00 54.97 56.75 3mdn s GLU 236 Cb -0.13 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.80 3mdn s GLU 236 CO 0.04 -0.29 1.02 -1.17 -0.54 0.00 0.00 175.26 174.32 3mdn s LEU 237 N 1.63 3.89 0.69 2.70 2.96 0.42 -4.98 118.68 125.99 3mdn s LEU 237 Ca 0.54 0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 55.00 3mdn s LEU 237 Cb -0.24 -3.41 0.01 0.00 0.50 0.00 0.00 46.19 43.05 3mdn s LEU 237 CO 0.24 -0.97 1.08 -0.13 -1.32 0.00 0.00 176.35 175.26 3mdn s ARG 238 N 3.77 2.78 0.63 1.98 0.52 -1.26 -4.42 118.95 122.95 3mdn s ARG 238 Ca 0.43 1.19 -0.19 0.00 -0.52 0.00 0.00 55.73 56.64 3mdn s ARG 238 Cb -0.11 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 3mdn s ARG 238 CO 0.21 -1.24 1.32 -2.14 0.02 0.00 0.00 175.30 173.47 3mdn s PRO 239 N -4.53 2.67 -0.74 3.54 0.02 -1.26 -3.12 135.00 131.58 3mdn s PRO 239 Ca 0.63 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.74 3mdn s PRO 239 Cb -0.17 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3mdn s PRO 239 CO 0.48 -1.52 0.40 0.41 -0.33 0.00 0.00 177.00 176.44 3mdn n GLY 240 N 0.87 0.13 0.00 0.52 0.00 0.11 -4.97 105.19 101.86 3mdn n GLY 240 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mdn n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mdn n ARG 241 N -2.50 0.12 -3.64 1.61 5.12 -1.16 -0.85 116.66 115.36 3mdn n ARG 241 Ca -0.04 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.82 3mdn n ARG 241 Cb 0.55 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.78 3mdn n ARG 241 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3mdn s LEU 243 N 0.00 -0.59 -0.14 0.55 2.96 0.22 -1.86 118.68 119.82 3mdn s LEU 243 Ca 0.00 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3mdn s LEU 243 Cb 0.00 1.97 0.02 0.00 0.50 0.00 0.00 46.19 48.68 3mdn s LEU 243 CO 0.00 -0.17 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.81 3mdn s THR 244 N 0.95 1.68 -0.22 3.68 2.01 0.53 -0.79 115.64 123.48 3mdn s THR 244 Ca -0.04 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3mdn s THR 244 Cb -0.04 -1.54 0.03 0.00 0.01 0.00 0.00 72.50 70.96 3mdn s THR 244 CO -0.12 0.48 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.53 3mdn s ILE 245 N 1.27 2.31 0.00 1.82 1.01 0.19 -0.76 121.20 127.04 3mdn s ILE 245 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3mdn s ILE 245 Cb -0.14 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.18 3mdn s ILE 245 CO -0.08 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3mdn n GLY 246 N 4.57 5.10 0.02 6.18 0.00 -0.56 -0.22 105.19 120.27 3mdn n GLY 246 Ca -0.17 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.68 3mdn n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdn n ALA 247 N -3.00 1.43 0.43 4.61 0.00 -1.26 -2.15 120.51 120.58 3mdn n ALA 247 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3mdn n ALA 247 Cb 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 3mdn n ALA 247 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3mdn n GLU 248 N -1.61 0.56 0.00 0.00 -0.00 -1.26 -5.10 120.64 113.23 3mdn n GLU 248 Ca 0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 3mdn n GLU 248 Cb 0.12 -1.46 0.00 0.00 -0.00 0.00 0.00 31.44 30.10 3mdn n GLU 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mdn n GLY 249 N 1.40 0.62 3.84 -1.84 0.00 -0.91 -5.05 105.19 103.26 3mdn n GLY 249 Ca -0.00 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 3mdn n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdn s ALA 250 N -1.58 3.71 -0.08 4.61 0.00 -1.26 -1.50 121.76 125.66 3mdn s ALA 250 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 3mdn s ALA 250 Cb 0.00 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.79 3mdn s ALA 250 CO 0.00 0.49 0.34 0.00 0.00 0.00 0.00 175.76 176.59 3mdn s ALA 251 N -1.10 -0.84 0.23 0.00 0.00 0.06 -4.99 121.76 115.12 3mdn s ALA 251 Ca 0.24 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.97 3mdn s ALA 251 Cb -0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 3mdn s ALA 251 CO 0.13 -0.21 0.15 -1.21 0.00 0.00 0.00 175.76 174.63 3mdn s GLU 252 N -0.51 2.84 -0.03 0.00 2.02 -1.26 -0.34 118.70 121.42 3mdn s GLU 252 Ca -0.06 -1.04 -0.25 0.00 0.02 0.00 0.00 54.97 53.64 3mdn s GLU 252 Cb -0.04 -2.54 0.05 0.00 0.10 0.00 0.00 34.13 31.71 3mdn s GLU 252 CO 0.02 0.42 0.54 0.50 0.02 0.00 0.00 175.26 176.76 3mdn s ARG 253 N -3.59 0.93 0.46 1.61 3.52 -1.26 -5.00 118.95 115.62 3mdn s ARG 253 Ca 0.32 0.05 -0.24 0.00 -0.13 0.00 0.00 55.73 55.73 3mdn s ARG 253 Cb -0.08 0.43 -0.07 0.00 -1.56 0.00 0.00 34.95 33.66 3mdn s ARG 253 CO 0.24 -0.29 1.30 -0.51 -0.81 0.00 0.00 175.30 175.23 3mdn s ASP 254 N -1.34 5.93 -0.18 -2.12 1.01 -1.26 -4.37 116.67 114.34 3mdn s ASP 254 Ca -0.11 2.64 -0.04 0.00 0.71 0.00 0.00 52.55 55.75 3mdn s ASP 254 Cb -0.02 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.34 3mdn s ASP 254 CO 0.07 -1.11 0.06 0.12 0.21 0.00 0.00 175.17 174.51 3mdn s PHE 255 N -1.33 0.64 -0.49 4.23 5.36 -0.03 -4.87 117.98 121.50 3mdn s PHE 255 Ca 0.63 -0.59 0.07 0.00 -0.96 0.00 0.00 56.93 56.09 3mdn s PHE 255 Cb -0.37 -0.87 0.25 0.00 -0.34 0.00 0.00 43.02 41.69 3mdn s PHE 255 CO 0.46 -0.55 0.60 0.00 -1.46 0.00 0.00 175.22 174.27 3mdn n ALA 256 N 5.16 3.07 0.00 11.12 0.00 -1.26 -4.11 120.51 134.48 3mdn n ALA 256 Ca -0.08 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.43 3mdn n ALA 256 Cb 0.48 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3mdn n ALA 256 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20