#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwa s PRO 2 N 0.00 1.91 0.31 1.61 0.04 -1.26 -4.19 135.00 133.42 1mwa s PRO 2 Ca 0.00 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 1mwa s PRO 2 Cb 0.00 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1mwa s PRO 2 CO 0.00 -1.98 0.55 -1.01 0.04 0.00 0.00 177.00 174.60 1mwa s HIS 3 N -2.23 0.53 0.29 0.56 3.76 -0.61 -4.95 115.29 112.63 1mwa s HIS 3 Ca 0.71 -0.91 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1mwa s HIS 3 Cb -0.26 0.25 0.04 0.00 1.11 0.00 0.00 32.58 33.72 1mwa s HIS 3 CO 0.49 -1.17 0.55 -1.13 -0.85 0.00 0.00 174.74 172.63 1mwa n SER 4 N -0.94 -1.59 -3.32 1.40 3.41 -1.26 -1.17 113.62 110.15 1mwa n SER 4 Ca -0.02 -2.20 -0.09 0.00 -0.26 0.00 0.00 58.87 56.29 1mwa n SER 4 Cb 0.61 2.68 -0.07 0.00 -0.26 0.00 0.00 64.21 67.18 1mwa n SER 4 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1mwa s LEU 5 N 0.00 -0.72 0.24 1.04 2.96 -0.66 -3.32 118.68 118.22 1mwa s LEU 5 Ca 0.13 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1mwa s LEU 5 Cb -0.03 1.10 -0.04 0.00 0.50 0.00 0.00 46.19 47.71 1mwa s LEU 5 CO 0.10 -0.34 0.05 -0.13 -1.32 0.00 0.00 176.35 174.70 1mwa s ARG 6 N 2.54 2.48 -0.10 1.98 0.52 -0.61 -1.18 118.95 124.58 1mwa s ARG 6 Ca 0.11 -1.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.07 1mwa s ARG 6 Cb -0.13 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.05 1mwa s ARG 6 CO -0.26 0.39 -0.11 0.71 0.02 0.00 0.00 175.30 176.05 1mwa s TYR 7 N -2.14 1.60 -0.38 -0.53 1.51 0.28 0.76 117.35 118.45 1mwa s TYR 7 Ca 0.31 -0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1mwa s TYR 7 Cb -0.07 -1.22 0.09 0.00 -0.11 0.00 0.00 41.96 40.64 1mwa s TYR 7 CO 0.21 -0.43 0.15 -0.06 -1.11 0.00 0.00 175.55 174.31 1mwa s PHE 8 N 1.17 3.51 -0.10 2.71 0.40 -0.47 -2.81 117.98 122.39 1mwa s PHE 8 Ca -0.04 -2.27 -0.02 0.00 -0.60 0.00 0.00 56.93 53.99 1mwa s PHE 8 Cb -0.14 -2.92 -0.03 0.00 0.51 0.00 0.00 43.02 40.44 1mwa s PHE 8 CO -0.03 -0.92 0.00 0.08 0.70 0.00 0.00 175.22 175.05 1mwa s VAL 9 N 1.17 4.29 -0.02 -0.44 1.01 -1.20 -2.63 120.40 122.57 1mwa s VAL 9 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1mwa s VAL 9 Cb -0.22 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1mwa s VAL 9 CO -0.03 0.59 0.01 0.28 0.00 0.00 0.00 175.10 175.94 1mwa s THR 10 N -0.69 0.08 -0.05 3.92 -1.32 -1.11 -0.37 115.64 116.10 1mwa s THR 10 Ca 0.11 0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1mwa s THR 10 Cb -0.12 -0.18 0.03 0.00 -1.51 0.00 0.00 72.50 70.72 1mwa s THR 10 CO 0.02 0.11 0.00 0.00 -2.21 0.00 0.00 174.62 172.55 1mwa s ALA 11 N 0.94 0.46 -0.09 11.08 0.00 -0.38 -2.91 121.76 130.86 1mwa s ALA 11 Ca -0.09 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1mwa s ALA 11 Cb -0.12 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1mwa s ALA 11 CO -0.02 -0.25 -0.14 0.54 0.00 0.00 0.00 175.76 175.89 1mwa s VAL 12 N 1.48 1.34 0.43 0.00 0.11 -1.07 0.24 120.40 122.92 1mwa s VAL 12 Ca -0.03 -0.57 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 1mwa s VAL 12 Cb -0.13 -1.22 -0.08 0.00 -1.53 0.00 0.00 36.38 33.42 1mwa s VAL 12 CO -0.03 0.40 1.15 -0.94 -3.33 0.00 0.00 175.10 172.36 1mwa s SER 13 N 0.80 6.36 -0.54 3.54 1.04 0.24 -1.03 113.70 124.11 1mwa s SER 13 Ca -0.11 2.29 0.07 0.00 0.48 0.00 0.00 55.95 58.67 1mwa s SER 13 Cb -0.16 -2.60 0.31 0.00 0.10 0.00 0.00 66.02 63.67 1mwa s SER 13 CO 0.02 -0.78 0.80 0.54 0.98 0.00 0.00 173.24 174.80 1mwa n ARG 14 N -0.25 2.35 -1.63 4.02 1.74 -1.26 -3.80 116.66 117.83 1mwa n ARG 14 Ca 0.06 -4.36 -0.46 0.00 -0.77 0.00 0.00 57.85 52.31 1mwa n ARG 14 Cb 0.48 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 1mwa n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1mwa n PRO 15 N 0.35 1.66 0.00 5.56 -0.02 -1.26 -0.14 135.00 141.15 1mwa n PRO 15 Ca 0.28 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1mwa n PRO 15 Cb 0.46 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1mwa n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mwa n GLY 16 N 2.11 2.73 0.13 -1.23 0.00 -1.26 -4.71 105.19 102.96 1mwa n GLY 16 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1mwa n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mwa h LEU 17 N 0.00 0.38 0.00 0.99 -0.00 -0.98 -3.51 115.31 112.20 1mwa h LEU 17 Ca 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.99 1mwa h LEU 17 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1mwa h LEU 17 CO 0.00 1.79 0.00 0.61 -0.00 0.00 0.00 178.44 180.84 1mwa n GLY 18 N 1.88 -0.06 3.85 0.83 0.00 -0.32 -5.09 105.19 106.28 1mwa n GLY 18 Ca -0.31 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1mwa n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mwa s GLU 19 N -2.00 3.20 1.00 1.61 2.02 -1.26 -4.18 118.70 119.09 1mwa s GLU 19 Ca 0.00 0.82 -0.11 0.00 0.02 0.00 0.00 54.97 55.70 1mwa s GLU 19 Cb 0.00 -2.03 0.17 0.00 0.10 0.00 0.00 34.13 32.37 1mwa s GLU 19 CO 0.00 -0.87 0.97 -2.30 0.02 0.00 0.00 175.26 173.08 1mwa n PRO 20 N -2.96 -1.05 -3.58 0.39 -0.02 -1.26 -4.39 135.00 122.14 1mwa n PRO 20 Ca 0.07 -0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 60.92 1mwa n PRO 20 Cb 0.54 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1mwa n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1mwa s ARG 21 N -4.40 3.86 0.06 -0.52 3.52 -0.20 -4.88 118.95 116.38 1mwa s ARG 21 Ca 0.66 0.28 0.07 0.00 -0.13 0.00 0.00 55.73 56.61 1mwa s ARG 21 Cb -0.23 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1mwa s ARG 21 CO 0.61 0.66 -0.20 -0.47 -0.81 0.00 0.00 175.30 175.09 1mwa s TYR 22 N -0.89 1.77 -0.27 5.12 5.04 -1.26 -2.61 117.35 124.25 1mwa s TYR 22 Ca 0.21 -0.38 -0.25 0.00 -2.44 0.00 0.00 57.07 54.21 1mwa s TYR 22 Cb -0.15 -1.03 0.11 0.00 0.35 0.00 0.00 41.96 41.23 1mwa s TYR 22 CO 0.11 0.12 0.95 0.00 -1.34 0.00 0.00 175.55 175.38 1mwa s MET 23 N -1.35 0.60 0.12 4.97 0.23 -1.15 -0.44 119.30 122.29 1mwa s MET 23 Ca 0.07 0.67 0.09 0.00 -1.03 0.00 0.00 55.69 55.49 1mwa s MET 23 Cb -0.09 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 1mwa s MET 23 CO 0.02 -0.08 -0.21 -1.21 -2.03 0.00 0.00 175.02 171.51 1mwa s GLU 24 N 0.18 1.22 -0.20 3.16 2.02 0.51 -2.75 118.70 122.84 1mwa s GLU 24 Ca 0.02 -1.26 -0.04 0.00 0.02 0.00 0.00 54.97 53.70 1mwa s GLU 24 Cb -0.05 -1.47 0.10 0.00 0.10 0.00 0.00 34.13 32.81 1mwa s GLU 24 CO -0.04 0.33 0.33 0.14 0.02 0.00 0.00 175.26 176.05 1mwa s VAL 25 N -1.37 -0.52 0.06 2.63 -7.23 -1.08 -1.25 120.40 111.63 1mwa s VAL 25 Ca 0.10 0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 60.17 1mwa s VAL 25 Cb -0.09 -0.66 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1mwa s VAL 25 CO 0.05 -0.02 0.53 -0.83 -0.31 0.00 0.00 175.10 174.52 1mwa s GLY 26 N 2.50 2.63 -0.40 2.32 0.00 -0.71 -1.37 107.32 112.28 1mwa s GLY 26 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1mwa s GLY 26 CO -0.13 0.39 0.13 -0.19 0.00 0.00 0.00 173.10 173.30 1mwa s TYR 27 N -1.11 3.57 -0.61 1.90 4.12 0.23 -2.95 117.35 122.50 1mwa s TYR 27 Ca 0.28 -3.05 -0.25 0.00 0.02 0.00 0.00 57.07 54.07 1mwa s TYR 27 Cb -0.19 -2.90 0.05 0.00 -1.52 0.00 0.00 41.96 37.40 1mwa s TYR 27 CO 0.18 -0.88 1.02 0.08 0.02 0.00 0.00 175.55 175.97 1mwa s VAL 28 N 0.50 4.24 -1.42 0.71 1.01 -1.16 -1.58 120.40 122.70 1mwa s VAL 28 Ca 0.13 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1mwa s VAL 28 Cb -0.21 -4.65 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1mwa s VAL 28 CO -0.05 -1.32 1.05 0.47 0.00 0.00 0.00 175.10 175.24 1mwa n ASP 29 N 7.90 -6.23 0.00 3.32 8.00 -1.21 -1.83 116.55 126.50 1mwa n ASP 29 Ca 0.01 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1mwa n ASP 29 Cb 0.47 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 1mwa n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mwa n ASP 30 N -2.90 0.00 -4.55 -2.24 10.43 -1.25 -4.96 116.55 111.09 1mwa n ASP 30 Ca -0.01 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 56.92 1mwa n ASP 30 Cb 0.57 -0.21 -0.03 0.00 1.84 0.00 0.00 41.12 43.28 1mwa n ASP 30 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1mwa s THR 31 N -1.60 4.26 0.37 -3.53 2.01 -0.76 -4.96 115.64 111.44 1mwa s THR 31 Ca 0.00 0.63 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 1mwa s THR 31 Cb 0.00 -4.59 -0.12 0.00 0.01 0.00 0.00 72.50 67.80 1mwa s THR 31 CO 0.00 -1.14 1.15 1.21 -0.69 0.00 0.00 174.62 175.16 1mwa n GLU 32 N 7.77 1.72 0.00 4.92 2.13 -1.26 -3.00 120.64 132.92 1mwa n GLU 32 Ca 0.05 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1mwa n GLU 32 Cb 0.48 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.02 1mwa n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1mwa n PHE 33 N -0.04 0.00 -3.77 4.31 -0.00 -1.15 -4.73 117.46 112.07 1mwa n PHE 33 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.39 1mwa n PHE 33 Cb 0.37 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.71 1mwa n PHE 33 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1mwa s VAL 34 N 0.00 -0.04 0.00 1.97 -7.23 -1.26 0.16 120.40 114.00 1mwa s VAL 34 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1mwa s VAL 34 Cb 0.00 -0.23 -0.00 0.00 0.56 0.00 0.00 36.38 36.70 1mwa s VAL 34 CO 0.00 0.06 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.23 1mwa s ARG 35 N 0.92 0.10 -0.00 4.82 6.06 -0.44 -1.74 118.95 128.67 1mwa s ARG 35 Ca -0.07 -0.07 0.00 0.00 -2.50 0.00 0.00 55.73 53.09 1mwa s ARG 35 Cb -0.09 -0.08 0.00 0.00 0.06 0.00 0.00 34.95 34.85 1mwa s ARG 35 CO -0.05 0.02 0.00 0.12 -2.50 0.00 0.00 175.30 172.90 1mwa s PHE 36 N -0.11 0.00 -0.22 5.12 5.36 -0.38 0.04 117.98 127.80 1mwa s PHE 36 Ca -0.00 0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 55.94 1mwa s PHE 36 Cb -0.01 -0.03 0.09 0.00 -0.34 0.00 0.00 43.02 42.73 1mwa s PHE 36 CO -0.00 -0.01 0.18 0.34 -1.46 0.00 0.00 175.22 174.27 1mwa s ASP 37 N 0.13 2.01 0.00 6.13 2.15 -1.26 0.19 116.67 126.02 1mwa s ASP 37 Ca -0.01 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.42 1mwa s ASP 37 Cb -0.02 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 1mwa s ASP 37 CO -0.00 -0.36 0.91 -1.54 -0.17 0.00 0.00 175.17 174.01 1mwa n SER 38 N 5.30 2.45 0.00 -0.34 3.41 0.42 -0.71 113.62 124.14 1mwa n SER 38 Ca -0.06 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1mwa n SER 38 Cb 0.48 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1mwa n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mwa n ASP 39 N 1.66 0.03 -4.86 4.04 9.92 -1.26 -4.62 116.55 121.47 1mwa n ASP 39 Ca 0.00 -0.26 -0.30 0.00 -0.53 0.00 0.00 54.79 53.70 1mwa n ASP 39 Cb 0.24 0.11 0.06 0.00 -0.64 0.00 0.00 41.12 40.88 1mwa n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mwa s ALA 40 N -0.11 2.71 0.53 2.24 0.00 0.11 -4.89 121.76 122.35 1mwa s ALA 40 Ca 0.00 -0.26 0.42 0.00 0.00 0.00 0.00 51.96 52.13 1mwa s ALA 40 Cb 0.00 -3.06 1.62 0.00 0.00 0.00 0.00 23.12 21.68 1mwa s ALA 40 CO 0.00 -1.29 1.65 1.05 0.00 0.00 0.00 175.76 177.17 1mwa h GLU 41 N -0.76 0.02 -2.11 0.00 9.09 -1.99 -3.26 114.58 115.58 1mwa h GLU 41 Ca -0.45 -0.00 -0.28 0.00 0.05 0.00 0.00 59.36 58.68 1mwa h GLU 41 Cb 1.25 -0.01 -0.32 0.00 -1.65 0.00 0.00 28.75 28.02 1mwa h GLU 41 CO 0.62 0.02 -0.59 -0.80 0.05 0.00 0.00 179.01 178.30 1mwa s ASN 42 N -4.37 1.19 -0.67 3.06 0.01 -1.26 -5.09 114.94 107.82 1mwa s ASN 42 Ca -0.06 -0.44 -0.25 0.00 -0.71 0.00 0.00 52.86 51.40 1mwa s ASN 42 Cb 0.26 0.68 -0.13 0.00 0.41 0.00 0.00 41.25 42.47 1mwa s ASN 42 CO 0.86 -0.36 2.44 -2.65 -1.51 0.00 0.00 177.10 175.88 1mwa n PRO 43 N 5.33 0.71 -3.76 -0.60 -0.02 -1.23 -4.85 135.00 130.58 1mwa n PRO 43 Ca -0.03 -0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.07 1mwa n PRO 43 Cb 0.48 -3.14 -0.11 0.00 -0.02 0.00 0.00 33.50 30.72 1mwa n PRO 43 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1mwa s ARG 44 N 8.48 0.41 0.34 -0.52 3.52 -1.26 -4.95 118.95 124.98 1mwa s ARG 44 Ca 1.03 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 56.74 1mwa s ARG 44 Cb -0.33 0.20 -0.11 0.00 -1.56 0.00 0.00 34.95 33.15 1mwa s ARG 44 CO 0.26 -0.06 1.39 0.71 -0.81 0.00 0.00 175.30 176.79 1mwa s TYR 45 N 0.03 2.85 0.03 5.12 1.51 -1.26 -4.43 117.35 121.19 1mwa s TYR 45 Ca -0.01 1.28 0.02 0.00 -1.01 0.00 0.00 57.07 57.34 1mwa s TYR 45 Cb -0.03 -3.84 -0.02 0.00 -0.11 0.00 0.00 41.96 37.97 1mwa s TYR 45 CO 0.01 -2.41 -0.06 -2.00 -1.11 0.00 0.00 175.55 169.98 1mwa s GLU 46 N -1.81 0.45 0.17 -0.62 2.56 0.11 -4.94 118.70 114.61 1mwa s GLU 46 Ca 0.51 -0.56 -0.30 0.00 0.00 0.00 0.00 54.97 54.63 1mwa s GLU 46 Cb -0.43 -0.27 -0.08 0.00 2.00 0.00 0.00 34.13 35.36 1mwa s GLU 46 CO 0.56 0.05 1.14 -1.25 -0.56 0.00 0.00 175.26 175.20 1mwa s PRO 47 N -1.11 4.55 -0.38 4.30 0.04 -1.26 -1.32 135.00 139.81 1mwa s PRO 47 Ca -0.07 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1mwa s PRO 47 Cb -0.07 -3.27 0.69 0.00 0.04 0.00 0.00 34.50 31.88 1mwa s PRO 47 CO 0.00 -0.00 1.83 0.54 0.04 0.00 0.00 177.00 179.41 1mwa n ARG 48 N 2.54 2.84 -3.64 4.56 5.12 0.41 -4.87 116.66 123.63 1mwa n ARG 48 Ca 0.04 -3.06 -0.08 0.00 -1.93 0.00 0.00 57.85 52.81 1mwa n ARG 48 Cb 0.46 -2.16 -0.07 0.00 -1.16 0.00 0.00 32.46 29.52 1mwa n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mwa s ALA 49 N -3.17 -2.00 0.45 7.54 0.00 -1.25 -4.50 121.76 118.84 1mwa s ALA 49 Ca 0.55 2.00 0.22 0.00 0.00 0.00 0.00 51.96 54.73 1mwa s ALA 49 Cb 0.46 -1.45 1.21 0.00 0.00 0.00 0.00 23.12 23.33 1mwa s ALA 49 CO 0.11 -0.28 1.85 -0.09 0.00 0.00 0.00 175.76 177.35 1mwa h ARG 50 N 4.85 0.28 0.00 0.00 9.65 -1.96 0.63 114.38 127.82 1mwa h ARG 50 Ca -0.28 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1mwa h ARG 50 Cb 1.18 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1mwa h ARG 50 CO 0.12 0.18 0.00 0.11 2.80 0.00 0.00 179.97 183.18 1mwa h TRP 51 N 0.28 0.00 0.00 2.20 5.08 -1.96 -2.91 115.95 118.65 1mwa h TRP 51 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 1mwa h TRP 51 Cb 1.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.56 1mwa h TRP 51 CO -0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 1mwa n MET 52 N -3.09 0.84 -0.16 0.12 2.81 0.22 -2.00 117.12 115.86 1mwa n MET 52 Ca 0.03 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1mwa n MET 52 Cb 0.44 -1.28 0.17 0.00 -0.71 0.00 0.00 33.22 31.84 1mwa n MET 52 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1mwa n GLU 53 N -0.78 2.24 0.10 0.03 0.28 -1.10 -4.01 120.64 117.41 1mwa n GLU 53 Ca 0.11 -2.02 0.12 0.00 -0.16 0.00 0.00 57.16 55.21 1mwa n GLU 53 Cb 0.05 -1.38 0.23 0.00 1.43 0.00 0.00 31.44 31.77 1mwa n GLU 53 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1mwa h GLN 54 N 3.22 0.00 0.00 3.44 5.75 -1.58 -3.45 115.11 122.49 1mwa h GLN 54 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1mwa h GLN 54 Cb 0.80 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.35 1mwa h GLN 54 CO 0.00 0.00 0.00 0.39 -2.65 0.00 0.00 178.83 176.57 1mwa n GLU 55 N -2.37 1.42 -4.16 1.69 -0.58 -1.26 -5.07 120.64 110.32 1mwa n GLU 55 Ca 0.04 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.62 1mwa n GLU 55 Cb 0.46 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.19 1mwa n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1mwa s GLY 56 N -0.73 0.27 0.00 0.62 0.00 -1.26 -4.99 107.32 101.24 1mwa s GLY 56 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.47 1mwa s GLY 56 CO 0.00 -0.23 0.22 -1.05 0.00 0.00 0.00 173.10 172.05 1mwa n PRO 57 N 2.86 0.16 -0.10 2.90 -0.02 -1.26 0.17 135.00 139.72 1mwa n PRO 57 Ca -0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.11 1mwa n PRO 57 Cb 0.58 -1.05 -0.11 0.00 -0.02 0.00 0.00 33.50 32.90 1mwa n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1mwa n GLU 58 N -0.55 0.60 -0.21 -0.52 1.02 -1.26 -1.59 120.64 118.12 1mwa n GLU 58 Ca 0.00 0.45 -0.09 0.00 -0.02 0.00 0.00 57.16 57.51 1mwa n GLU 58 Cb 0.00 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1mwa n GLU 58 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1mwa h TYR 59 N -0.85 1.07 -0.48 -0.32 3.20 0.33 2.34 116.97 122.26 1mwa h TYR 59 Ca -0.45 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.15 1mwa h TYR 59 Cb 1.48 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 1mwa h TYR 59 CO 0.05 0.93 -0.15 -1.49 -1.64 0.00 0.00 178.16 175.86 1mwa h TRP 60 N 0.91 1.08 0.12 -3.82 4.06 0.17 1.27 115.95 119.73 1mwa h TRP 60 Ca 0.18 -0.24 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 1mwa h TRP 60 Cb 0.44 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 1mwa h TRP 60 CO 0.03 1.04 -0.06 0.93 -3.56 0.00 0.00 178.44 176.83 1mwa h GLU 61 N 0.80 -0.15 -0.24 0.49 4.39 -0.81 0.13 114.58 119.19 1mwa h GLU 61 Ca 0.12 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 1mwa h GLU 61 Cb 0.71 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 1mwa h GLU 61 CO 0.05 0.08 -0.43 -0.09 -1.16 0.00 0.00 179.01 177.46 1mwa h ARG 62 N -0.36 -0.34 -0.02 2.33 1.12 0.45 0.62 114.38 118.17 1mwa h ARG 62 Ca -0.02 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1mwa h ARG 62 Cb 0.30 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1mwa h ARG 62 CO 0.03 -0.23 0.01 0.93 -3.11 0.00 0.00 179.97 177.60 1mwa h GLU 63 N -0.35 0.03 -1.00 0.20 4.39 0.16 -1.84 114.58 116.17 1mwa h GLU 63 Ca 0.05 -0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.96 1mwa h GLU 63 Cb 0.48 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 1mwa h GLU 63 CO -0.42 0.13 0.62 1.15 -1.16 0.00 0.00 179.01 179.33 1mwa h THR 64 N -0.08 0.63 -0.21 1.13 2.02 -0.44 0.25 112.91 116.22 1mwa h THR 64 Ca 0.01 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 1mwa h THR 64 Cb 0.11 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1mwa h THR 64 CO -0.00 0.11 -0.16 1.56 0.37 0.00 0.00 175.52 177.39 1mwa h GLN 65 N 0.59 0.48 -0.33 6.66 1.08 -0.53 -2.48 115.11 120.59 1mwa h GLN 65 Ca 0.57 -0.24 0.05 0.00 -1.45 0.00 0.00 58.65 57.59 1mwa h GLN 65 Cb 1.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.53 1mwa h GLN 65 CO -0.34 0.80 0.06 -0.22 -0.95 0.00 0.00 178.83 178.18 1mwa h LYS 66 N 0.16 0.17 -0.65 1.46 3.64 -0.05 -1.53 116.57 119.77 1mwa h LYS 66 Ca 0.04 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1mwa h LYS 66 Cb 0.69 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.36 1mwa h LYS 66 CO 0.04 0.11 -0.00 0.00 -2.27 0.00 0.00 179.45 177.33 1mwa h ALA 67 N 1.25 0.64 -0.75 5.00 0.00 -0.56 0.14 119.26 124.98 1mwa h ALA 67 Ca 0.15 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1mwa h ALA 67 Cb 0.17 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1mwa h ALA 67 CO -0.21 -0.40 0.37 0.87 0.00 0.00 0.00 179.25 179.89 1mwa h LYS 68 N 0.11 1.05 0.60 0.00 1.79 -0.82 0.05 116.57 119.36 1mwa h LYS 68 Ca 0.34 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1mwa h LYS 68 Cb 0.57 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1mwa h LYS 68 CO -0.56 0.80 -0.29 0.78 -1.08 0.00 0.00 179.45 179.09 1mwa h GLY 69 N 1.10 -0.84 2.00 3.86 0.00 -0.45 -2.73 103.07 106.00 1mwa h GLY 69 Ca 0.26 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1mwa h GLY 69 CO -0.04 -0.31 0.00 0.70 0.00 0.00 0.00 176.54 176.90 1mwa n ASN 70 N -5.37 0.28 -0.00 0.19 3.02 -0.25 -1.69 115.26 111.44 1mwa n ASN 70 Ca -0.12 0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 54.90 1mwa n ASN 70 Cb 0.35 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 38.77 1mwa n ASN 70 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1mwa h GLU 71 N 0.00 -0.01 0.16 3.52 4.81 -0.67 -2.05 114.58 120.34 1mwa h GLU 71 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mwa h GLU 71 Cb 0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1mwa h GLU 71 CO 0.00 0.41 -0.10 1.96 -0.73 0.00 0.00 179.01 180.56 1mwa h GLN 72 N -0.43 -0.24 -0.96 1.92 1.08 -1.22 0.22 115.11 115.48 1mwa h GLN 72 Ca -0.00 0.02 0.24 0.00 -1.45 0.00 0.00 58.65 57.46 1mwa h GLN 72 Cb 0.42 0.05 -0.18 0.00 -0.05 0.00 0.00 27.48 27.73 1mwa h GLN 72 CO 0.00 -0.16 -0.06 0.45 -0.95 0.00 0.00 178.83 178.11 1mwa n SER 73 N -5.21 -0.19 0.10 1.46 2.88 -0.85 0.10 113.62 111.92 1mwa n SER 73 Ca -0.08 1.63 -0.05 0.00 -1.33 0.00 0.00 58.87 59.04 1mwa n SER 73 Cb 0.13 -0.56 0.05 0.00 -0.75 0.00 0.00 64.21 63.08 1mwa n SER 73 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1mwa h PHE 74 N 0.00 0.14 -0.53 0.66 0.05 -0.60 0.66 116.94 117.32 1mwa h PHE 74 Ca 0.54 -0.07 -0.03 0.00 3.82 0.00 0.00 57.97 62.23 1mwa h PHE 74 Cb 1.04 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.94 1mwa h PHE 74 CO -0.57 0.83 0.20 -0.09 -0.18 0.00 0.00 178.31 178.50 1mwa h ARG 75 N 0.06 0.76 0.20 1.51 2.43 0.27 0.16 114.38 119.78 1mwa h ARG 75 Ca -0.02 -0.12 -0.33 0.00 -0.81 0.00 0.00 59.98 58.70 1mwa h ARG 75 Cb 1.35 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1mwa h ARG 75 CO 0.11 0.64 -1.57 0.28 -1.51 0.00 0.00 179.97 177.91 1mwa h VAL 76 N 0.75 1.15 -0.28 0.20 2.07 -0.92 -2.41 116.25 116.81 1mwa h VAL 76 Ca 0.18 -2.68 0.06 0.00 0.82 0.00 0.00 66.70 65.08 1mwa h VAL 76 Cb 0.17 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 1mwa h VAL 76 CO -0.02 0.84 -0.14 -1.28 0.02 0.00 0.00 177.57 176.99 1mwa h SER 77 N 0.11 -0.47 -0.09 0.57 0.87 -0.58 0.98 113.55 114.95 1mwa h SER 77 Ca -0.28 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1mwa h SER 77 Cb 2.10 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 64.30 1mwa h SER 77 CO 0.22 -0.18 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.09 1mwa h LEU 78 N -0.10 -0.59 -0.90 2.23 3.38 -0.70 1.16 115.31 119.78 1mwa h LEU 78 Ca 0.15 0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.42 1mwa h LEU 78 Cb 0.33 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.19 1mwa h LEU 78 CO -0.35 -0.15 0.40 -0.09 0.09 0.00 0.00 178.44 178.34 1mwa h ARG 79 N -0.17 0.38 -0.05 1.13 2.43 -0.93 0.84 114.38 118.01 1mwa h ARG 79 Ca 0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1mwa h ARG 79 Cb 0.21 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1mwa h ARG 79 CO -0.17 0.25 -0.04 1.15 -1.51 0.00 0.00 179.97 179.65 1mwa h THR 80 N 0.39 1.36 -0.79 0.20 2.02 0.23 -3.20 112.91 113.13 1mwa h THR 80 Ca 0.57 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1mwa h THR 80 Cb 1.10 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 69.49 1mwa h THR 80 CO -0.54 0.31 0.51 -0.07 0.37 0.00 0.00 175.52 176.10 1mwa h LEU 81 N -0.32 0.84 0.00 2.58 3.38 0.23 -3.05 115.31 118.98 1mwa h LEU 81 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mwa h LEU 81 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1mwa h LEU 81 CO 0.01 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.31 1mwa n LEU 82 N -4.59 0.00 -0.33 1.67 4.77 0.19 -1.28 117.00 117.43 1mwa n LEU 82 Ca 0.09 0.67 0.24 0.00 -0.03 0.00 0.00 56.01 56.99 1mwa n LEU 82 Cb 0.08 -0.17 0.47 0.00 -2.33 0.00 0.00 43.42 41.46 1mwa n LEU 82 CO 0.34 -0.17 0.99 1.23 -1.33 0.00 0.00 177.39 178.45 1mwa h GLY 83 N 0.00 1.90 -1.02 -0.72 0.00 -1.60 -1.32 103.07 100.31 1mwa h GLY 83 Ca 0.00 -0.07 0.42 0.00 0.00 0.00 0.00 47.33 47.67 1mwa h GLY 83 CO 0.00 -0.64 0.57 -1.72 0.00 0.00 0.00 176.54 174.74 1mwa n TYR 84 N -5.28 1.08 -0.20 5.60 0.53 -0.41 0.68 117.16 119.17 1mwa n TYR 84 Ca 0.32 1.09 0.06 0.00 -1.02 0.00 0.00 57.90 58.34 1mwa n TYR 84 Cb 1.05 -1.50 0.16 0.00 -1.03 0.00 0.00 39.34 38.02 1mwa n TYR 84 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1mwa n TYR 85 N -5.13 0.48 -3.18 -0.72 4.01 -0.51 -4.96 117.16 107.15 1mwa n TYR 85 Ca 0.37 -0.51 -0.20 0.00 -0.16 0.00 0.00 57.90 57.40 1mwa n TYR 85 Cb 1.29 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 40.33 1mwa n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1mwa n ASN 86 N 0.50 -5.69 -4.55 7.72 5.03 0.21 -4.90 115.26 113.59 1mwa n ASN 86 Ca 0.12 -0.36 -0.38 0.00 0.87 0.00 0.00 54.58 54.84 1mwa n ASN 86 Cb 0.44 -4.41 -0.03 0.00 -1.02 0.00 0.00 39.78 34.75 1mwa n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1mwa s GLN 87 N -5.84 2.85 -0.10 3.52 -1.52 -1.18 -4.93 119.66 112.48 1mwa s GLN 87 Ca 0.38 0.09 -0.31 0.00 -1.95 0.00 0.00 55.36 53.57 1mwa s GLN 87 Cb -0.17 -4.52 -0.09 0.00 -0.22 0.00 0.00 33.01 28.02 1mwa s GLN 87 CO 0.47 -2.62 2.05 0.43 -0.25 0.00 0.00 175.29 175.37 1mwa n SER 88 N 11.67 3.60 -3.09 5.90 7.64 -1.26 -4.66 113.62 133.42 1mwa n SER 88 Ca 0.20 0.67 -0.02 0.00 1.01 0.00 0.00 58.87 60.72 1mwa n SER 88 Cb 0.50 -1.48 0.02 0.00 -1.01 0.00 0.00 64.21 62.24 1mwa n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwa n ALA 89 N 8.80 -0.37 0.00 -0.43 0.00 -1.26 -4.49 120.51 122.76 1mwa n ALA 89 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1mwa n ALA 89 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1mwa n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mwa n GLY 90 N -0.10 3.09 3.92 0.00 0.00 -1.26 -5.05 105.19 105.79 1mwa n GLY 90 Ca 0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 1mwa n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mwa s GLY 91 N -0.49 1.90 0.08 -0.02 0.00 -1.26 -4.75 107.32 102.77 1mwa s GLY 91 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 42.84 1mwa s GLY 91 CO 0.00 -1.56 0.54 -0.45 0.00 0.00 0.00 173.10 171.63 1mwa s SER 92 N -4.15 6.99 0.12 1.64 0.15 -1.26 -4.61 113.70 112.59 1mwa s SER 92 Ca 0.47 1.19 0.05 0.00 0.70 0.00 0.00 55.95 58.37 1mwa s SER 92 Cb -0.07 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1mwa s SER 92 CO 0.29 0.25 -0.12 -1.00 1.20 0.00 0.00 173.24 173.86 1mwa s HIS 93 N -1.16 1.30 0.42 3.44 4.02 -1.25 -4.93 115.29 117.13 1mwa s HIS 93 Ca 0.30 -0.62 0.07 0.00 1.02 0.00 0.00 55.06 55.83 1mwa s HIS 93 Cb -0.18 -0.68 -0.05 0.00 -1.02 0.00 0.00 32.58 30.65 1mwa s HIS 93 CO 0.18 0.10 0.14 0.99 1.02 0.00 0.00 174.74 177.17 1mwa s THR 94 N -2.47 2.12 -0.15 1.30 2.01 -1.26 0.81 115.64 118.00 1mwa s THR 94 Ca 0.10 -1.78 -0.11 0.00 0.31 0.00 0.00 61.69 60.20 1mwa s THR 94 Cb -0.03 -2.90 0.05 0.00 0.01 0.00 0.00 72.50 69.62 1mwa s THR 94 CO 0.02 0.00 0.39 -0.63 -0.69 0.00 0.00 174.62 173.71 1mwa s ILE 95 N -2.65 -0.01 -0.01 1.82 1.01 0.14 -2.90 121.20 118.58 1mwa s ILE 95 Ca 0.37 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1mwa s ILE 95 Cb 0.05 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.97 1mwa s ILE 95 CO 0.20 0.02 -0.01 -1.10 0.00 0.00 0.00 174.94 174.05 1mwa s GLN 96 N 0.76 0.19 -0.16 2.79 -0.21 -0.43 -1.24 119.66 121.36 1mwa s GLN 96 Ca -0.04 0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.35 1mwa s GLN 96 Cb -0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 33.01 33.65 1mwa s GLN 96 CO -0.05 -0.05 -0.12 0.08 -2.12 0.00 0.00 175.29 173.02 1mwa s VAL 97 N 0.52 2.91 -0.62 1.09 1.01 0.50 0.69 120.40 126.49 1mwa s VAL 97 Ca -0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1mwa s VAL 97 Cb -0.07 -2.25 0.16 0.00 0.00 0.00 0.00 36.38 34.22 1mwa s VAL 97 CO -0.01 0.50 0.48 -0.63 0.00 0.00 0.00 175.10 175.44 1mwa s ILE 98 N 0.81 4.31 -0.04 2.22 -1.09 -0.21 -3.27 121.20 123.94 1mwa s ILE 98 Ca -0.04 -2.46 -0.01 0.00 -2.23 0.00 0.00 60.65 55.90 1mwa s ILE 98 Cb -0.15 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1mwa s ILE 98 CO 0.00 -0.88 0.07 -0.94 -1.23 0.00 0.00 174.94 171.97 1mwa s SER 99 N 1.67 0.01 0.00 3.58 1.04 -1.12 -1.78 113.70 117.10 1mwa s SER 99 Ca 0.14 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1mwa s SER 99 Cb -0.20 0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1mwa s SER 99 CO -0.04 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1mwa n GLY 100 N 4.20 -1.19 3.13 7.32 0.00 -1.26 0.10 105.19 117.50 1mwa n GLY 100 Ca -0.28 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 1mwa n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa s GLU 102 N -0.59 2.08 -0.11 0.00 2.02 -1.17 -1.65 118.70 119.29 1mwa s GLU 102 Ca 0.05 -1.66 -0.05 0.00 0.02 0.00 0.00 54.97 53.33 1mwa s GLU 102 Cb -0.06 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1mwa s GLU 102 CO 0.00 -0.93 0.10 0.14 0.02 0.00 0.00 175.26 174.59 1mwa s VAL 103 N 1.16 5.14 0.82 2.63 -7.23 -0.31 -0.38 120.40 122.22 1mwa s VAL 103 Ca 0.05 0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 60.20 1mwa s VAL 103 Cb -0.21 -3.22 0.14 0.00 0.56 0.00 0.00 36.38 33.65 1mwa s VAL 103 CO -0.04 0.61 1.15 -0.83 -0.31 0.00 0.00 175.10 175.68 1mwa s GLY 104 N -0.96 1.75 0.55 2.32 0.00 -1.19 -1.58 107.32 108.21 1mwa s GLY 104 Ca 0.14 -1.29 0.24 0.00 0.00 0.00 0.00 44.72 43.81 1mwa s GLY 104 CO 0.03 -0.68 2.08 1.76 0.00 0.00 0.00 173.10 176.30 1mwa h SER 105 N -1.04 0.00 0.63 1.64 0.02 -1.93 0.88 113.55 113.74 1mwa h SER 105 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1mwa h SER 105 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1mwa h SER 105 CO 0.45 0.00 -0.13 -0.90 -1.14 0.00 0.00 176.83 175.11 1mwa n ASP 106 N -4.24 0.25 0.00 3.07 3.85 -1.26 -4.83 116.55 113.39 1mwa n ASP 106 Ca 0.03 -0.10 0.00 0.00 -0.71 0.00 0.00 54.79 54.01 1mwa n ASP 106 Cb 0.35 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1mwa n ASP 106 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1mwa n GLY 107 N 1.39 0.71 0.00 6.12 0.00 0.30 -5.06 105.19 108.65 1mwa n GLY 107 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1mwa n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mwa n ARG 108 N -2.07 0.49 -4.15 1.61 3.00 -1.26 -4.73 116.66 109.54 1mwa n ARG 108 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 1mwa n ARG 108 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 32.29 1mwa n ARG 108 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1mwa s LEU 109 N 0.00 1.48 -0.05 6.15 2.96 -1.26 -3.14 118.68 124.82 1mwa s LEU 109 Ca 0.00 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 1mwa s LEU 109 Cb 0.00 -0.96 -0.30 0.00 0.50 0.00 0.00 46.19 45.43 1mwa s LEU 109 CO 0.00 -0.05 0.64 -0.07 -1.32 0.00 0.00 176.35 175.55 1mwa h LEU 110 N 7.80 0.58 -7.00 -0.68 3.38 -1.06 -3.48 115.31 114.84 1mwa h LEU 110 Ca -0.32 -0.90 0.09 0.00 0.09 0.00 0.00 57.88 56.83 1mwa h LEU 110 Cb 1.15 -0.19 -0.27 0.00 0.09 0.00 0.00 40.66 41.44 1mwa h LEU 110 CO 0.46 1.77 0.54 -0.60 0.09 0.00 0.00 178.44 180.70 1mwa s ARG 111 N -2.58 0.43 -0.23 1.13 3.52 -1.24 -5.06 118.95 114.91 1mwa s ARG 111 Ca -0.16 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1mwa s ARG 111 Cb 0.06 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.69 1mwa s ARG 111 CO 0.84 -0.06 -0.11 0.20 -0.81 0.00 0.00 175.30 175.36 1mwa s GLY 112 N 0.05 1.58 0.35 8.12 0.00 -1.26 -3.06 107.32 113.09 1mwa s GLY 112 Ca 0.04 -1.47 0.08 0.00 0.00 0.00 0.00 44.72 43.37 1mwa s GLY 112 CO -0.07 0.48 0.11 -2.52 0.00 0.00 0.00 173.10 171.10 1mwa s TYR 113 N 1.26 2.66 -0.30 1.90 -0.85 -1.25 -4.84 117.35 115.93 1mwa s TYR 113 Ca -0.01 -0.41 -0.13 0.00 -0.52 0.00 0.00 57.07 56.00 1mwa s TYR 113 Cb -0.16 -1.63 0.15 0.00 0.38 0.00 0.00 41.96 40.70 1mwa s TYR 113 CO -0.07 0.36 0.87 -1.14 -1.52 0.00 0.00 175.55 174.05 1mwa s GLN 114 N -3.82 0.40 0.02 -3.49 -0.44 -1.25 -4.01 119.66 107.07 1mwa s GLN 114 Ca 0.37 0.99 -0.17 0.00 -2.50 0.00 0.00 55.36 54.06 1mwa s GLN 114 Cb -0.01 0.59 0.03 0.00 -1.64 0.00 0.00 33.01 31.98 1mwa s GLN 114 CO 0.22 -0.14 0.37 -0.65 0.50 0.00 0.00 175.29 175.59 1mwa s GLN 115 N 2.60 0.82 0.07 1.67 -0.21 -0.73 -2.53 119.66 121.34 1mwa s GLN 115 Ca -0.04 -0.29 0.08 0.00 0.02 0.00 0.00 55.36 55.13 1mwa s GLN 115 Cb -0.08 0.36 -0.03 0.00 1.00 0.00 0.00 33.01 34.26 1mwa s GLN 115 CO -0.18 -0.26 -0.21 0.71 -2.12 0.00 0.00 175.29 173.23 1mwa s TYR 116 N -1.99 1.85 -0.28 0.91 1.51 -1.26 -1.04 117.35 117.06 1mwa s TYR 116 Ca -0.09 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1mwa s TYR 116 Cb -0.02 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1mwa s TYR 116 CO 0.01 0.14 0.01 0.00 -1.11 0.00 0.00 175.55 174.60 1mwa s ALA 117 N -0.94 2.87 -0.31 3.71 0.00 0.22 -0.94 121.76 126.37 1mwa s ALA 117 Ca 0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 1mwa s ALA 117 Cb -0.09 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1mwa s ALA 117 CO 0.03 -0.92 0.17 -0.47 0.00 0.00 0.00 175.76 174.56 1mwa s TYR 118 N 1.39 3.19 -0.17 0.00 5.04 0.17 -1.32 117.35 125.64 1mwa s TYR 118 Ca 0.00 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 1mwa s TYR 118 Cb -0.17 -2.37 0.00 0.00 0.35 0.00 0.00 41.96 39.76 1mwa s TYR 118 CO -0.01 -0.40 0.00 -0.25 -1.34 0.00 0.00 175.55 173.55 1mwa n ASP 119 N 5.01 -2.72 0.00 4.32 8.00 -1.14 -0.91 116.55 129.11 1mwa n ASP 119 Ca -0.14 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1mwa n ASP 119 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 41.12 39.61 1mwa n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mwa n GLY 120 N 0.36 1.72 3.05 0.44 0.00 -1.26 -4.95 105.19 104.54 1mwa n GLY 120 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1mwa n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa s ASP 122 N -1.61 4.59 0.00 0.00 1.47 -1.24 0.42 116.67 120.30 1mwa s ASP 122 Ca -0.13 2.42 0.00 0.00 1.18 0.00 0.00 52.55 56.02 1mwa s ASP 122 Cb -0.07 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 1mwa s ASP 122 CO -0.01 -2.00 0.00 0.00 0.68 0.00 0.00 175.17 173.84 1mwa n TYR 123 N -2.20 0.00 -4.19 2.11 9.36 -0.12 -4.77 117.16 117.35 1mwa n TYR 123 Ca 0.14 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.20 1mwa n TYR 123 Cb 0.50 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.07 1mwa n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1mwa s ILE 124 N 0.00 0.59 -0.08 2.97 1.10 -1.26 -4.38 121.20 120.14 1mwa s ILE 124 Ca 0.00 -0.61 0.04 0.00 -0.51 0.00 0.00 60.65 59.57 1mwa s ILE 124 Cb 0.00 -0.56 -0.01 0.00 0.15 0.00 0.00 42.46 42.04 1mwa s ILE 124 CO 0.00 -0.03 -0.21 0.00 -2.11 0.00 0.00 174.94 172.59 1mwa s ALA 125 N -0.61 2.31 0.22 1.50 0.00 -1.23 -4.20 121.76 119.75 1mwa s ALA 125 Ca -0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 1mwa s ALA 125 Cb -0.05 -0.85 -0.08 0.00 0.00 0.00 0.00 23.12 22.13 1mwa s ALA 125 CO 0.00 0.36 1.05 -1.17 0.00 0.00 0.00 175.76 176.00 1mwa s LEU 126 N 0.04 4.55 0.00 0.00 2.96 -1.05 -2.47 118.68 122.71 1mwa s LEU 126 Ca -0.08 2.08 -0.13 0.00 -0.22 0.00 0.00 54.13 55.78 1mwa s LEU 126 Cb -0.15 -3.61 0.18 0.00 0.50 0.00 0.00 46.19 43.11 1mwa s LEU 126 CO 0.05 -0.09 0.88 0.59 -1.32 0.00 0.00 176.35 176.47 1mwa n ASN 127 N 1.83 -0.59 -1.09 3.68 5.03 -0.05 -4.63 115.26 119.44 1mwa n ASN 127 Ca 0.00 -1.21 0.03 0.00 0.87 0.00 0.00 54.58 54.28 1mwa n ASN 127 Cb 0.46 -0.72 0.18 0.00 -1.02 0.00 0.00 39.78 38.69 1mwa n ASN 127 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1mwa n GLU 128 N -3.30 2.69 0.00 3.52 2.13 -1.26 -2.81 120.64 121.61 1mwa n GLU 128 Ca 0.11 -1.42 0.03 0.00 0.66 0.00 0.00 57.16 56.55 1mwa n GLU 128 Cb 0.41 -1.79 -0.03 0.00 0.27 0.00 0.00 31.44 30.29 1mwa n GLU 128 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1mwa n ASP 129 N 0.31 0.45 -2.83 4.31 5.75 -1.26 -4.95 116.55 118.33 1mwa n ASP 129 Ca 0.13 -0.73 -0.19 0.00 -0.01 0.00 0.00 54.79 53.99 1mwa n ASP 129 Cb 0.64 0.91 0.01 0.00 -1.03 0.00 0.00 41.12 41.65 1mwa n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1mwa n LEU 130 N -1.02 -1.80 0.00 -2.12 7.99 -1.12 -4.76 117.00 114.17 1mwa n LEU 130 Ca 0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1mwa n LEU 130 Cb 0.12 -2.50 0.00 0.00 -0.11 0.00 0.00 43.42 40.93 1mwa n LEU 130 CO 0.14 0.03 -0.20 0.29 -1.51 0.00 0.00 177.39 176.13 1mwa n LYS 131 N -3.41 0.73 -4.25 3.23 5.02 -1.26 -4.98 118.16 113.24 1mwa n LYS 131 Ca -0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.00 1mwa n LYS 131 Cb 0.61 -0.70 -0.11 0.00 -0.02 0.00 0.00 35.03 34.81 1mwa n LYS 131 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mwa s THR 132 N -1.41 1.30 0.55 -0.18 2.01 -1.26 -5.04 115.64 111.61 1mwa s THR 132 Ca 0.00 -1.85 0.09 0.00 0.31 0.00 0.00 61.69 60.24 1mwa s THR 132 Cb 0.00 -1.65 0.08 0.00 0.01 0.00 0.00 72.50 70.94 1mwa s THR 132 CO 0.00 -0.53 0.76 0.26 -0.69 0.00 0.00 174.62 174.41 1mwa s TRP 133 N -2.56 1.61 -0.27 4.92 0.52 -1.26 -0.87 118.94 121.03 1mwa s TRP 133 Ca 0.12 -0.68 -0.24 0.00 0.02 0.00 0.00 56.10 55.32 1mwa s TRP 133 Cb -0.02 -2.23 0.08 0.00 -1.15 0.00 0.00 33.47 30.14 1mwa s TRP 133 CO 0.03 -1.04 0.75 0.99 0.02 0.00 0.00 176.95 177.70 1mwa s THR 134 N -2.62 0.00 -0.04 2.01 2.01 -1.03 -4.81 115.64 111.15 1mwa s THR 134 Ca 0.61 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.30 1mwa s THR 134 Cb -0.06 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.56 1mwa s THR 134 CO 0.38 0.00 1.12 0.00 -0.69 0.00 0.00 174.62 175.43 1mwa s ALA 135 N 0.51 -1.99 -0.42 7.40 0.00 -1.26 -3.58 121.76 122.42 1mwa s ALA 135 Ca -0.01 0.96 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1mwa s ALA 135 Cb -0.05 0.27 0.20 0.00 0.00 0.00 0.00 23.12 23.53 1mwa s ALA 135 CO -0.02 -0.82 1.15 0.00 0.00 0.00 0.00 175.76 176.07 1mwa n ALA 136 N -0.30 2.18 -3.27 0.00 0.00 -1.26 -4.98 120.51 112.88 1mwa n ALA 136 Ca -0.05 -1.30 -0.34 0.00 0.00 0.00 0.00 53.44 51.75 1mwa n ALA 136 Cb 0.61 -0.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 1mwa n ALA 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1mwa s ASP 137 N -1.22 4.42 0.48 0.00 1.47 -1.26 -4.95 116.67 115.60 1mwa s ASP 137 Ca 0.16 -0.31 0.28 0.00 1.18 0.00 0.00 52.55 53.86 1mwa s ASP 137 Cb 0.10 -1.74 0.87 0.00 -0.34 0.00 0.00 42.92 41.82 1mwa s ASP 137 CO 0.08 0.06 1.80 0.24 0.68 0.00 0.00 175.17 178.03 1mwa h MET 138 N 7.53 0.00 0.00 2.11 2.86 -1.95 -3.34 114.93 122.14 1mwa h MET 138 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1mwa h MET 138 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1mwa h MET 138 CO 0.60 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.63 1mwa n ALA 139 N -2.12 -0.02 0.23 6.32 0.00 -1.26 -1.52 120.51 122.14 1mwa n ALA 139 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1mwa n ALA 139 Cb 0.42 0.28 0.79 0.00 0.00 0.00 0.00 19.45 20.94 1mwa n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mwa h ALA 140 N -1.74 1.05 -0.95 0.00 0.00 -1.77 -2.57 119.26 113.29 1mwa h ALA 140 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1mwa h ALA 140 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1mwa h ALA 140 CO 0.00 -0.05 0.62 -0.07 0.00 0.00 0.00 179.25 179.75 1mwa h LEU 141 N 0.00 1.01 -1.31 0.00 4.07 -1.39 2.52 115.31 120.21 1mwa h LEU 141 Ca 0.00 -0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.01 1mwa h LEU 141 Cb 0.12 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 1mwa h LEU 141 CO 0.00 0.67 0.50 0.40 -1.08 0.00 0.00 178.44 178.94 1mwa h ILE 142 N 1.16 1.05 0.00 1.22 2.04 -1.46 -1.39 117.51 120.13 1mwa h ILE 142 Ca 0.39 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1mwa h ILE 142 Cb 0.08 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1mwa h ILE 142 CO -0.13 0.15 -1.20 0.41 0.00 0.00 0.00 178.15 177.38 1mwa n THR 143 N -4.47 0.04 0.03 -0.27 -1.04 -0.34 -3.09 114.28 105.13 1mwa n THR 143 Ca 0.11 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 1mwa n THR 143 Cb 0.19 0.53 -0.08 0.00 -1.82 0.00 0.00 70.33 69.16 1mwa n THR 143 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1mwa h LYS 144 N 0.00 -0.01 0.00 -2.82 3.64 0.53 -2.93 116.57 114.97 1mwa h LYS 144 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1mwa h LYS 144 Cb 0.67 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1mwa h LYS 144 CO 0.00 0.16 -0.66 0.45 -2.27 0.00 0.00 179.45 177.13 1mwa h HIS 145 N -0.19 0.00 0.00 1.91 3.86 -1.45 0.45 115.15 119.73 1mwa h HIS 145 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1mwa h HIS 145 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1mwa h HIS 145 CO -0.02 0.66 0.00 1.17 0.86 0.00 0.00 177.93 180.60 1mwa n LYS 146 N -3.62 0.15 0.00 2.45 4.81 -1.11 -0.48 118.16 120.36 1mwa n LYS 146 Ca -0.01 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1mwa n LYS 146 Cb 0.68 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1mwa n LYS 146 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1mwa n TRP 147 N -1.21 0.00 0.48 5.64 8.01 -1.11 -4.11 117.44 125.15 1mwa n TRP 147 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 1mwa n TRP 147 Cb 0.05 0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 1mwa n TRP 147 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1mwa n GLU 148 N -2.57 0.48 0.00 -0.99 2.13 0.16 0.50 120.64 120.34 1mwa n GLU 148 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1mwa n GLU 148 Cb 0.41 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1mwa n GLU 148 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1mwa n GLN 149 N 0.34 0.00 0.00 5.31 6.02 0.37 -4.83 117.38 124.59 1mwa n GLN 149 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1mwa n GLN 149 Cb 0.14 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.35 1mwa n GLN 149 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mwa n ALA 150 N 0.00 1.44 -1.51 -1.58 0.00 0.17 -5.00 120.51 114.03 1mwa n ALA 150 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 53.44 52.58 1mwa n ALA 150 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 1mwa n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mwa n GLY 151 N -0.21 1.68 0.15 0.00 0.00 0.18 -4.84 105.19 102.15 1mwa n GLY 151 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1mwa n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mwa h GLU 152 N 0.00 0.45 0.00 1.61 4.57 -1.82 -3.11 114.58 116.28 1mwa h GLU 152 Ca -0.36 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.24 1mwa h GLU 152 Cb 1.25 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1mwa h GLU 152 CO 0.53 1.22 0.00 0.00 -1.18 0.00 0.00 179.01 179.58 1mwa n ALA 153 N -2.58 1.35 -0.03 2.92 0.00 -1.26 0.12 120.51 121.04 1mwa n ALA 153 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1mwa n ALA 153 Cb 0.93 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1mwa n ALA 153 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mwa n GLU 154 N -0.69 3.72 0.08 0.00 0.00 -1.18 -4.67 120.64 117.91 1mwa n GLU 154 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 57.16 57.27 1mwa n GLU 154 Cb 0.00 -0.32 0.42 0.00 0.00 0.00 0.00 31.44 31.54 1mwa n GLU 154 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1mwa n ARG 155 N -0.54 0.22 0.01 5.31 0.63 0.34 -3.56 116.66 119.07 1mwa n ARG 155 Ca 0.00 0.17 -0.12 0.00 -0.92 0.00 0.00 57.85 56.98 1mwa n ARG 155 Cb 0.01 -1.74 -0.08 0.00 0.45 0.00 0.00 32.46 31.10 1mwa n ARG 155 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1mwa h LEU 156 N 0.00 0.03 -0.51 6.15 3.38 -1.82 -3.25 115.31 119.30 1mwa h LEU 156 Ca 0.00 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1mwa h LEU 156 Cb 0.70 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1mwa h LEU 156 CO 0.00 0.21 -0.30 0.54 0.09 0.00 0.00 178.44 178.98 1mwa n ARG 157 N -4.98 -0.22 -0.23 1.13 1.74 -1.23 -0.11 116.66 112.77 1mwa n ARG 157 Ca -0.07 1.07 -0.06 0.00 -0.77 0.00 0.00 57.85 58.02 1mwa n ARG 157 Cb 0.12 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 1mwa n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mwa n ALA 158 N -3.17 -0.34 0.26 7.54 0.00 -1.23 0.33 120.51 123.90 1mwa n ALA 158 Ca 0.01 0.46 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 1mwa n ALA 158 Cb 0.13 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 1mwa n ALA 158 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1mwa h TYR 159 N 0.00 -0.59 0.25 0.00 3.20 -1.47 0.50 116.97 118.87 1mwa h TYR 159 Ca 0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1mwa h TYR 159 Cb 0.22 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1mwa h TYR 159 CO -0.83 -0.31 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.08 1mwa h LEU 160 N -0.74 -0.59 -0.10 2.82 3.38 0.91 3.12 115.31 124.11 1mwa h LEU 160 Ca -0.06 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1mwa h LEU 160 Cb 0.54 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1mwa h LEU 160 CO 0.11 -0.33 -0.33 -0.33 0.09 0.00 0.00 178.44 177.65 1mwa h GLU 161 N -0.50 0.00 0.00 1.13 5.08 0.53 -3.31 114.58 117.51 1mwa h GLU 161 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mwa h GLU 161 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1mwa h GLU 161 CO -0.03 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 1mwa n GLY 162 N 1.10 0.32 0.32 -3.84 0.00 0.17 -4.67 105.19 98.58 1mwa n GLY 162 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1mwa n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mwa n THR 163 N 0.00 -0.44 0.00 2.61 -1.04 -0.59 0.21 114.28 115.04 1mwa n THR 163 Ca 0.00 1.92 0.00 0.00 -2.04 0.00 0.00 64.05 63.93 1mwa n THR 163 Cb 0.00 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 65.98 1mwa n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mwa n VAL 165 N -0.69 -0.38 -0.12 0.00 0.31 -1.08 0.81 118.33 117.18 1mwa n VAL 165 Ca 0.00 1.93 -0.05 0.00 -0.01 0.00 0.00 64.34 66.21 1mwa n VAL 165 Cb 0.00 -2.95 0.02 0.00 -0.91 0.00 0.00 33.84 30.01 1mwa n VAL 165 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1mwa h GLU 166 N 0.00 0.09 0.04 5.55 5.08 0.20 -2.87 114.58 122.68 1mwa h GLU 166 Ca 0.65 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.81 1mwa h GLU 166 Cb 1.53 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.78 1mwa h GLU 166 CO -0.79 0.06 -0.78 -1.49 -1.00 0.00 0.00 179.01 175.01 1mwa h TRP 167 N 0.09 0.71 -1.04 4.33 4.06 0.26 -3.23 115.95 121.13 1mwa h TRP 167 Ca 0.19 -0.42 0.35 0.00 2.06 0.00 0.00 58.89 61.08 1mwa h TRP 167 Cb 0.27 -0.07 -0.15 0.00 -1.00 0.00 0.00 29.16 28.21 1mwa h TRP 167 CO -0.27 1.26 0.60 1.25 -3.56 0.00 0.00 178.44 177.72 1mwa h LEU 168 N -0.04 0.44 -1.07 -4.49 5.85 -1.04 0.81 115.31 115.77 1mwa h LEU 168 Ca -0.11 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1mwa h LEU 168 Cb 1.50 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 1mwa h LEU 168 CO 0.15 -0.19 0.01 -0.09 -0.34 0.00 0.00 178.44 177.98 1mwa h ARG 169 N 0.23 0.67 0.11 1.25 2.43 -1.53 -2.74 114.38 114.81 1mwa h ARG 169 Ca 0.76 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.77 1mwa h ARG 169 Cb 1.89 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1mwa h ARG 169 CO -0.60 0.68 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.39 1mwa h ARG 170 N 0.63 -0.14 -0.54 0.20 9.65 0.54 -1.68 114.38 123.04 1mwa h ARG 170 Ca 0.13 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.13 1mwa h ARG 170 Cb 0.39 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.89 1mwa h ARG 170 CO 0.01 0.32 -0.16 1.88 2.80 0.00 0.00 179.97 184.83 1mwa h TYR 171 N -0.69 -0.35 -0.98 2.20 0.05 -1.43 0.36 116.97 116.13 1mwa h TYR 171 Ca -0.02 0.05 0.10 0.00 0.05 0.00 0.00 58.73 58.91 1mwa h TYR 171 Cb 0.53 0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.43 1mwa h TYR 171 CO 0.09 -0.25 0.63 -0.07 -1.05 0.00 0.00 178.16 177.50 1mwa h LEU 172 N -0.03 0.93 -0.57 3.88 4.07 -1.51 0.23 115.31 122.32 1mwa h LEU 172 Ca 0.26 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.35 1mwa h LEU 172 Cb 0.42 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 41.92 1mwa h LEU 172 CO -0.57 0.54 0.14 0.50 -1.08 0.00 0.00 178.44 177.97 1mwa h LYS 173 N 1.03 0.27 0.04 1.13 3.64 0.71 -0.49 116.57 122.89 1mwa h LYS 173 Ca 0.46 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.50 1mwa h LYS 173 Cb 0.37 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1mwa h LYS 173 CO -0.21 0.18 -1.78 0.09 -2.27 0.00 0.00 179.45 175.46 1mwa n ASN 174 N -5.10 1.97 -0.36 4.20 5.03 -0.84 -4.21 115.26 115.96 1mwa n ASN 174 Ca 0.08 0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.83 1mwa n ASN 174 Cb 0.29 -0.87 0.02 0.00 -1.02 0.00 0.00 39.78 38.20 1mwa n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mwa n GLY 175 N 1.67 0.58 0.00 7.41 0.00 0.76 -4.50 105.19 111.10 1mwa n GLY 175 Ca -0.36 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1mwa n GLY 175 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mwa n ASN 176 N -0.15 0.00 -0.33 1.61 2.85 -0.19 -0.54 115.26 118.51 1mwa n ASN 176 Ca 0.01 0.63 0.12 0.00 -0.11 0.00 0.00 54.58 55.23 1mwa n ASN 176 Cb 0.19 -0.13 0.24 0.00 1.24 0.00 0.00 39.78 41.32 1mwa n ASN 176 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mwa n ALA 177 N -1.25 0.41 0.16 5.20 0.00 -1.26 -1.91 120.51 121.87 1mwa n ALA 177 Ca 0.00 1.01 -0.07 0.00 0.00 0.00 0.00 53.44 54.38 1mwa n ALA 177 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1mwa n ALA 177 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1mwa h THR 178 N 0.00 0.00 -0.52 0.00 2.02 -1.75 -3.28 112.91 109.38 1mwa h THR 178 Ca 0.54 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.82 1mwa h THR 178 Cb 1.05 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1mwa h THR 178 CO -0.90 0.00 -0.13 -0.07 0.37 0.00 0.00 175.52 174.79 1mwa h LEU 179 N -0.43 -0.48 -7.95 2.58 3.38 -0.10 -3.25 115.31 109.06 1mwa h LEU 179 Ca -0.04 0.16 -0.67 0.00 0.09 0.00 0.00 57.88 57.41 1mwa h LEU 179 Cb 0.34 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 1mwa h LEU 179 CO 0.05 -0.17 1.34 -0.76 0.09 0.00 0.00 178.44 178.99 1mwa s LEU 180 N -10.75 4.43 -0.19 1.67 2.01 -0.85 -4.89 118.68 110.11 1mwa s LEU 180 Ca -0.14 -2.13 -0.15 0.00 0.01 0.00 0.00 54.13 51.72 1mwa s LEU 180 Cb 0.17 -2.48 0.06 0.00 0.01 0.00 0.00 46.19 43.95 1mwa s LEU 180 CO 0.72 -1.14 0.49 0.00 1.01 0.00 0.00 176.35 177.43 1mwa s ARG 181 N 3.35 0.54 0.08 1.70 1.04 -1.23 -4.80 118.95 119.63 1mwa s ARG 181 Ca 0.42 0.78 0.07 0.00 -1.04 0.00 0.00 55.73 55.96 1mwa s ARG 181 Cb -0.02 0.17 -0.03 0.00 -2.04 0.00 0.00 34.95 33.04 1mwa s ARG 181 CO -0.05 -0.11 -0.19 0.95 -0.04 0.00 0.00 175.30 175.86 1mwa s THR 182 N 0.76 1.53 -0.22 4.99 -4.23 -1.26 -4.55 115.64 112.65 1mwa s THR 182 Ca -0.04 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1mwa s THR 182 Cb -0.05 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.43 1mwa s THR 182 CO -0.06 -0.03 -0.13 -1.81 -0.54 0.00 0.00 174.62 172.05 1mwa s ASP 183 N -1.66 3.89 0.47 3.99 1.01 0.12 -4.93 116.67 119.56 1mwa s ASP 183 Ca 0.05 -0.95 -0.23 0.00 0.71 0.00 0.00 52.55 52.13 1mwa s ASP 183 Cb -0.10 -1.56 -0.07 0.00 1.01 0.00 0.00 42.92 42.21 1mwa s ASP 183 CO 0.03 -0.10 1.23 -0.44 0.21 0.00 0.00 175.17 176.11 1mwa s SER 184 N 1.24 6.00 0.51 0.27 0.01 -1.26 -0.82 113.70 119.64 1mwa s SER 184 Ca -0.01 2.48 -0.12 0.00 1.31 0.00 0.00 55.95 59.60 1mwa s SER 184 Cb -0.16 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.39 1mwa s SER 184 CO -0.08 -1.05 0.92 -2.16 0.41 0.00 0.00 173.24 171.28 1mwa s PRO 185 N -2.64 3.78 -0.14 12.44 0.04 -1.26 -4.43 135.00 142.79 1mwa s PRO 185 Ca 0.64 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.39 1mwa s PRO 185 Cb -0.33 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1mwa s PRO 185 CO 0.40 -0.27 -0.19 0.15 0.04 0.00 0.00 177.00 177.14 1mwa s LYS 186 N -4.34 3.15 0.18 4.56 1.02 -0.89 -4.88 119.74 118.54 1mwa s LYS 186 Ca 0.55 -0.80 0.11 0.00 0.02 0.00 0.00 55.97 55.85 1mwa s LYS 186 Cb -0.10 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1mwa s LYS 186 CO 0.38 0.07 -0.24 0.00 -0.92 0.00 0.00 175.35 174.64 1mwa s ALA 187 N 0.66 2.54 0.16 5.17 0.00 -1.25 -0.80 121.76 128.24 1mwa s ALA 187 Ca -0.09 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.06 1mwa s ALA 187 Cb -0.16 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.65 1mwa s ALA 187 CO 0.02 0.45 0.53 -3.38 0.00 0.00 0.00 175.76 173.38 1mwa s HIS 188 N -1.59 -0.38 0.02 0.00 -3.43 -1.03 -4.99 115.29 103.90 1mwa s HIS 188 Ca 0.20 0.11 0.09 0.00 -0.80 0.00 0.00 55.06 54.66 1mwa s HIS 188 Cb -0.08 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.50 1mwa s HIS 188 CO 0.10 -0.83 -0.26 0.14 -2.00 0.00 0.00 174.74 171.89 1mwa s VAL 189 N -3.79 2.06 0.00 -5.38 -7.23 -1.26 -1.02 120.40 103.79 1mwa s VAL 189 Ca 0.03 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1mwa s VAL 189 Cb -0.00 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1mwa s VAL 189 CO -0.11 0.42 -0.16 0.42 -0.31 0.00 0.00 175.10 175.36 1mwa s THR 190 N -0.74 2.94 -0.09 5.32 -4.23 -0.08 -4.94 115.64 113.81 1mwa s THR 190 Ca 0.11 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 1mwa s THR 190 Cb -0.10 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1mwa s THR 190 CO 0.01 0.45 0.21 -2.28 -0.54 0.00 0.00 174.62 172.47 1mwa s HIS 191 N -0.85 3.63 -0.05 3.99 2.46 -1.26 -1.31 115.29 121.90 1mwa s HIS 191 Ca 0.14 0.65 -0.01 0.00 0.47 0.00 0.00 55.06 56.31 1mwa s HIS 191 Cb -0.11 -2.04 0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1mwa s HIS 191 CO 0.04 0.71 0.03 -1.01 -2.47 0.00 0.00 174.74 172.03 1mwa s HIS 192 N -1.03 0.36 0.48 3.88 3.76 -0.96 -4.99 115.29 116.79 1mwa s HIS 192 Ca 0.17 0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 54.89 1mwa s HIS 192 Cb -0.13 -0.62 -0.07 0.00 1.11 0.00 0.00 32.58 32.87 1mwa s HIS 192 CO 0.06 -0.25 1.26 -1.12 -0.85 0.00 0.00 174.74 173.85 1mwa s SER 193 N 1.95 5.85 0.08 1.40 0.01 -1.26 -0.87 113.70 120.85 1mwa s SER 193 Ca 0.03 2.54 -0.09 0.00 1.31 0.00 0.00 55.95 59.75 1mwa s SER 193 Cb -0.12 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 1mwa s SER 193 CO -0.04 -1.16 0.19 -0.60 0.41 0.00 0.00 173.24 172.04 1mwa s ARG 194 N -2.70 0.81 1.18 12.44 3.52 -0.02 -4.81 118.95 129.37 1mwa s ARG 194 Ca 0.65 -0.89 -0.20 0.00 -0.13 0.00 0.00 55.73 55.17 1mwa s ARG 194 Cb -0.35 0.33 0.30 0.00 -1.56 0.00 0.00 34.95 33.67 1mwa s ARG 194 CO 0.42 -0.25 0.78 -0.35 -0.81 0.00 0.00 175.30 175.09 1mwa n PRO 195 N 0.09 -3.97 -2.83 5.12 -0.04 -1.26 -3.31 135.00 128.81 1mwa n PRO 195 Ca -0.16 -1.29 -0.16 0.00 -0.04 0.00 0.00 63.50 61.85 1mwa n PRO 195 Cb 0.62 -1.53 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1mwa n PRO 195 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mwa n GLU 196 N -4.95 -2.79 -3.05 0.54 -0.58 -1.26 -1.24 120.64 107.31 1mwa n GLU 196 Ca 0.12 0.49 -0.22 0.00 -0.42 0.00 0.00 57.16 57.13 1mwa n GLU 196 Cb 0.50 -5.13 0.04 0.00 -0.57 0.00 0.00 31.44 26.28 1mwa n GLU 196 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1mwa n ASP 197 N -1.98 -6.10 -4.52 1.62 8.00 -1.25 -4.92 116.55 107.40 1mwa n ASP 197 Ca -0.08 -0.30 -0.25 0.00 0.71 0.00 0.00 54.79 54.87 1mwa n ASP 197 Cb 0.57 -4.90 -0.10 0.00 -0.02 0.00 0.00 41.12 36.68 1mwa n ASP 197 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mwa s LYS 198 N -5.73 1.79 0.04 -1.24 1.02 -0.38 -0.54 119.74 114.71 1mwa s LYS 198 Ca 0.32 -1.82 -0.01 0.00 0.02 0.00 0.00 55.97 54.48 1mwa s LYS 198 Cb -0.14 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1mwa s LYS 198 CO 0.40 0.24 -0.01 0.14 -0.92 0.00 0.00 175.35 175.20 1mwa s VAL 199 N -2.54 0.18 -0.21 3.17 -7.23 -0.04 -0.84 120.40 112.87 1mwa s VAL 199 Ca 0.31 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 1mwa s VAL 199 Cb -0.02 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1mwa s VAL 199 CO 0.16 -0.81 -0.08 0.42 -0.31 0.00 0.00 175.10 174.48 1mwa s THR 200 N -3.12 3.06 0.12 5.32 -4.23 -0.05 -0.72 115.64 116.01 1mwa s THR 200 Ca -0.00 -0.63 -0.23 0.00 -1.18 0.00 0.00 61.69 59.64 1mwa s THR 200 Cb 0.02 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.40 1mwa s THR 200 CO -0.07 0.43 0.70 -0.76 -0.54 0.00 0.00 174.62 174.37 1mwa s LEU 201 N 1.43 4.55 -0.16 4.79 1.02 -0.34 -2.28 118.68 127.70 1mwa s LEU 201 Ca 0.05 1.47 0.00 0.00 0.02 0.00 0.00 54.13 55.68 1mwa s LEU 201 Cb -0.14 -3.13 0.03 0.00 0.02 0.00 0.00 46.19 42.97 1mwa s LEU 201 CO -0.05 0.21 -0.10 -0.60 0.02 0.00 0.00 176.35 175.83 1mwa s ARG 202 N -1.00 1.92 -0.25 1.70 6.06 -0.43 -1.52 118.95 125.43 1mwa s ARG 202 Ca 0.33 -0.56 -0.15 0.00 -2.50 0.00 0.00 55.73 52.86 1mwa s ARG 202 Cb -0.21 -2.06 -0.04 0.00 0.06 0.00 0.00 34.95 32.69 1mwa s ARG 202 CO 0.23 -0.33 0.36 0.00 -2.50 0.00 0.00 175.30 173.06 1mwa s TRP 204 N 1.74 2.96 -0.10 0.00 0.52 -0.19 -1.58 118.94 122.29 1mwa s TRP 204 Ca 0.15 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.31 1mwa s TRP 204 Cb -0.15 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1mwa s TRP 204 CO 0.09 0.39 -0.13 0.00 0.02 0.00 0.00 176.95 177.32 1mwa s ALA 205 N -0.97 1.53 0.01 0.98 0.00 -0.30 -2.45 121.76 120.57 1mwa s ALA 205 Ca 0.16 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.55 1mwa s ALA 205 Cb -0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1mwa s ALA 205 CO 0.06 -0.09 -0.16 -0.51 0.00 0.00 0.00 175.76 175.07 1mwa s LEU 206 N 1.03 2.09 -1.22 0.00 1.43 0.02 -2.37 118.68 119.66 1mwa s LEU 206 Ca -0.07 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1mwa s LEU 206 Cb -0.15 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 1mwa s LEU 206 CO -0.01 0.14 0.73 0.61 0.23 0.00 0.00 176.35 178.05 1mwa n GLY 207 N 2.33 -0.66 3.52 -3.19 0.00 -0.70 -2.09 105.19 104.40 1mwa n GLY 207 Ca -0.16 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1mwa n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mwa s PHE 208 N -3.59 2.61 -0.16 1.61 -0.12 -1.05 -4.54 117.98 112.73 1mwa s PHE 208 Ca 0.24 -0.22 -0.14 0.00 -0.05 0.00 0.00 56.93 56.75 1mwa s PHE 208 Cb -0.07 -1.39 0.04 0.00 -0.63 0.00 0.00 43.02 40.98 1mwa s PHE 208 CO 0.83 0.39 0.43 -0.47 -0.05 0.00 0.00 175.22 176.35 1mwa s TYR 209 N -1.15 -0.50 0.00 3.49 5.04 -0.00 -1.37 117.35 122.86 1mwa s TYR 209 Ca 0.19 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1mwa s TYR 209 Cb -0.11 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1mwa s TYR 209 CO 0.11 -0.25 0.00 -2.30 -1.34 0.00 0.00 175.55 171.77 1mwa n PRO 210 N 3.08 -0.78 0.01 4.97 -0.02 -1.26 0.15 135.00 141.16 1mwa n PRO 210 Ca -0.15 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.44 1mwa n PRO 210 Cb 0.57 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.06 1mwa n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mwa n ALA 211 N -2.65 3.80 -2.02 3.55 0.00 -1.26 -4.84 120.51 117.09 1mwa n ALA 211 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1mwa n ALA 211 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1mwa n ALA 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mwa s ASP 212 N -3.51 6.67 0.14 0.00 1.01 -1.26 -4.96 116.67 114.76 1mwa s ASP 212 Ca 0.06 2.50 -0.24 0.00 0.71 0.00 0.00 52.55 55.58 1mwa s ASP 212 Cb 0.15 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.56 1mwa s ASP 212 CO 0.81 -0.77 0.72 -0.51 0.21 0.00 0.00 175.17 175.63 1mwa s ILE 213 N 1.25 0.00 -0.06 0.77 2.07 -1.26 -4.73 121.20 119.23 1mwa s ILE 213 Ca 0.68 -0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 59.65 1mwa s ILE 213 Cb -0.41 -1.28 0.04 0.00 0.13 0.00 0.00 42.46 40.94 1mwa s ILE 213 CO 0.31 0.00 0.13 -0.89 -1.91 0.00 0.00 174.94 172.57 1mwa s THR 214 N -3.60 -0.11 -0.05 4.00 2.01 -0.81 -5.00 115.64 112.09 1mwa s THR 214 Ca 0.05 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.35 1mwa s THR 214 Cb -0.02 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1mwa s THR 214 CO -0.07 0.10 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.97 1mwa s LEU 215 N 1.50 2.04 0.04 4.42 1.43 -1.26 -0.17 118.68 126.68 1mwa s LEU 215 Ca -0.05 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1mwa s LEU 215 Cb -0.12 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1mwa s LEU 215 CO -0.05 0.23 0.08 0.42 0.23 0.00 0.00 176.35 177.26 1mwa s THR 216 N -0.13 0.14 -0.14 5.49 -4.23 -0.64 -4.98 115.64 111.15 1mwa s THR 216 Ca -0.03 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1mwa s THR 216 Cb -0.13 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.80 1mwa s THR 216 CO 0.03 -0.63 -0.20 0.26 -0.54 0.00 0.00 174.62 173.55 1mwa s TRP 217 N -2.67 2.70 0.09 3.99 0.52 -1.26 -1.76 118.94 120.55 1mwa s TRP 217 Ca -0.04 -1.25 0.05 0.00 0.02 0.00 0.00 56.10 54.87 1mwa s TRP 217 Cb -0.01 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1mwa s TRP 217 CO -0.05 -0.57 -0.13 1.14 0.02 0.00 0.00 176.95 177.37 1mwa s GLN 218 N 0.80 0.88 -0.40 4.98 -2.07 -0.79 -0.44 119.66 122.62 1mwa s GLN 218 Ca -0.07 -1.09 0.01 0.00 -1.82 0.00 0.00 55.36 52.39 1mwa s GLN 218 Cb -0.16 -0.75 0.11 0.00 -1.09 0.00 0.00 33.01 31.12 1mwa s GLN 218 CO -0.01 0.15 0.15 -1.17 -1.32 0.00 0.00 175.29 173.09 1mwa s LEU 219 N -2.14 4.95 -0.44 2.60 2.96 -1.17 -0.87 118.68 124.57 1mwa s LEU 219 Ca 0.03 -2.22 -0.05 0.00 -0.22 0.00 0.00 54.13 51.67 1mwa s LEU 219 Cb -0.07 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1mwa s LEU 219 CO 0.02 -0.43 0.29 -0.46 -1.32 0.00 0.00 176.35 174.45 1mwa n ASN 220 N 4.25 -2.13 -1.55 3.68 0.23 -1.05 -3.76 115.26 114.92 1mwa n ASN 220 Ca 0.02 -0.51 -0.00 0.00 -0.53 0.00 0.00 54.58 53.56 1mwa n ASN 220 Cb 0.41 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 1mwa n ASN 220 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mwa n GLY 221 N -1.17 -2.66 0.00 4.83 0.00 -1.26 -5.16 105.19 99.77 1mwa n GLY 221 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1mwa n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mwa n GLU 222 N -0.02 -0.40 -3.83 1.61 4.07 -1.25 -5.11 120.64 115.71 1mwa n GLU 222 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1mwa n GLU 222 Cb 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.22 1mwa n GLU 222 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1mwa s GLU 223 N -2.00 1.09 -0.17 5.31 2.12 -1.26 -3.02 118.70 120.76 1mwa s GLU 223 Ca 0.00 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.19 1mwa s GLU 223 Cb 0.00 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 1mwa s GLU 223 CO 0.00 -0.71 2.09 -0.51 -0.54 0.00 0.00 175.26 175.59 1mwa s LEU 224 N 1.58 3.69 -0.19 2.70 1.43 0.41 -4.92 118.68 123.38 1mwa s LEU 224 Ca -0.00 1.99 0.21 0.00 -1.03 0.00 0.00 54.13 55.30 1mwa s LEU 224 Cb -0.18 -3.52 0.47 0.00 0.03 0.00 0.00 46.19 43.00 1mwa s LEU 224 CO -0.11 -1.70 1.15 2.30 0.23 0.00 0.00 176.35 178.22 1mwa n ILE 225 N 7.16 1.16 -1.32 -0.59 -5.35 -1.26 -4.56 119.36 114.61 1mwa n ILE 225 Ca 0.26 -2.59 0.00 0.00 -0.27 0.00 0.00 62.75 60.15 1mwa n ILE 225 Cb 0.44 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1mwa n ILE 225 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mwa n GLN 226 N -0.35 0.00 -0.71 6.28 0.00 -1.26 -4.91 117.38 116.43 1mwa n GLN 226 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 57.00 57.07 1mwa n GLN 226 Cb 0.91 -0.34 -0.02 0.00 0.00 0.00 0.00 30.24 30.80 1mwa n GLN 226 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1mwa n ASP 227 N 0.00 -0.19 -4.21 2.61 -0.08 -1.26 -5.08 116.55 108.34 1mwa n ASP 227 Ca 0.00 -1.49 -0.32 0.00 -1.51 0.00 0.00 54.79 51.47 1mwa n ASP 227 Cb 0.28 0.03 -0.17 0.00 2.34 0.00 0.00 41.12 43.60 1mwa n ASP 227 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mwa s MET 228 N 0.00 3.03 0.15 -0.67 0.23 -1.26 -4.27 119.30 116.51 1mwa s MET 228 Ca 0.03 -0.87 -0.17 0.00 -1.03 0.00 0.00 55.69 53.64 1mwa s MET 228 Cb 0.03 -2.31 -0.07 0.00 -1.53 0.00 0.00 34.83 30.95 1mwa s MET 228 CO -0.01 0.15 0.61 -1.21 -2.03 0.00 0.00 175.02 172.52 1mwa s GLU 229 N 0.42 4.12 -0.05 3.16 0.41 -0.47 -4.89 118.70 121.40 1mwa s GLU 229 Ca -0.17 0.66 0.02 0.00 -0.41 0.00 0.00 54.97 55.08 1mwa s GLU 229 Cb -0.18 -2.99 0.01 0.00 -1.78 0.00 0.00 34.13 29.19 1mwa s GLU 229 CO 0.07 0.49 -0.11 -1.17 -0.49 0.00 0.00 175.26 174.06 1mwa s LEU 230 N -1.75 1.68 0.24 1.80 2.96 -1.26 -0.70 118.68 121.64 1mwa s LEU 230 Ca 0.37 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1mwa s LEU 230 Cb -0.17 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 1mwa s LEU 230 CO 0.20 0.05 0.50 0.54 -1.32 0.00 0.00 176.35 176.31 1mwa s VAL 231 N 0.48 5.06 0.65 1.68 0.11 -1.03 -5.04 120.40 122.31 1mwa s VAL 231 Ca -0.09 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.86 1mwa s VAL 231 Cb -0.13 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1mwa s VAL 231 CO 0.02 -0.18 1.22 -0.70 -3.33 0.00 0.00 175.10 172.13 1mwa s GLU 232 N -3.21 2.61 0.35 1.54 2.12 -1.26 -4.69 118.70 116.16 1mwa s GLU 232 Ca 0.43 1.83 -0.27 0.00 0.36 0.00 0.00 54.97 57.33 1mwa s GLU 232 Cb -0.11 -1.88 -0.09 0.00 0.26 0.00 0.00 34.13 32.31 1mwa s GLU 232 CO 0.27 -1.49 1.13 0.99 -0.54 0.00 0.00 175.26 175.62 1mwa s THR 233 N -1.71 3.37 0.01 -1.70 2.01 -1.26 -4.87 115.64 111.49 1mwa s THR 233 Ca 0.77 1.23 0.02 0.00 0.31 0.00 0.00 61.69 64.02 1mwa s THR 233 Cb -0.31 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1mwa s THR 233 CO 0.39 0.18 -0.06 0.00 -0.69 0.00 0.00 174.62 174.44 1mwa s ARG 234 N -1.97 0.43 0.29 4.92 1.70 -0.89 -4.99 118.95 118.44 1mwa s ARG 234 Ca 0.52 -0.39 -0.29 0.00 -0.47 0.00 0.00 55.73 55.10 1mwa s ARG 234 Cb -0.30 -0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 33.67 1mwa s ARG 234 CO 0.38 0.08 1.06 -1.25 -1.08 0.00 0.00 175.30 174.49 1mwa s PRO 235 N -0.67 4.61 -0.00 3.89 0.04 -1.26 -0.50 135.00 141.10 1mwa s PRO 235 Ca -0.03 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 1mwa s PRO 235 Cb -0.05 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1mwa s PRO 235 CO -0.00 0.22 0.67 0.00 0.04 0.00 0.00 177.00 177.93 1mwa h ALA 236 N 3.67 -0.63 0.00 8.56 0.00 -1.36 -3.46 119.26 126.04 1mwa h ALA 236 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1mwa h ALA 236 Cb 1.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1mwa h ALA 236 CO 0.66 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1mwa n GLY 237 N 0.16 -0.18 0.34 0.00 0.00 -1.26 -4.98 105.19 99.26 1mwa n GLY 237 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1mwa n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mwa n ASP 238 N 0.00 0.48 0.00 1.61 3.85 -1.26 -4.98 116.55 116.25 1mwa n ASP 238 Ca 0.00 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.03 1mwa n ASP 238 Cb 0.00 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 1mwa n ASP 238 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1mwa n GLY 239 N -0.27 2.89 3.82 6.12 0.00 -1.26 -5.03 105.19 111.45 1mwa n GLY 239 Ca 0.03 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1mwa n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mwa s THR 240 N -2.20 2.23 0.35 2.61 -4.23 -1.26 -4.86 115.64 108.28 1mwa s THR 240 Ca 0.00 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1mwa s THR 240 Cb 0.00 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1mwa s THR 240 CO 0.00 -0.10 0.13 -0.36 -0.54 0.00 0.00 174.62 173.75 1mwa s PHE 241 N -3.33 1.75 0.14 3.99 0.40 -0.47 -0.97 117.98 119.49 1mwa s PHE 241 Ca 0.63 -1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1mwa s PHE 241 Cb -0.14 -1.07 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 1mwa s PHE 241 CO 0.52 -0.33 0.13 -0.65 0.70 0.00 0.00 175.22 175.60 1mwa s GLN 242 N -3.78 0.98 -0.13 0.44 -0.21 0.34 -1.72 119.66 115.58 1mwa s GLN 242 Ca 0.31 -1.32 -0.31 0.00 0.02 0.00 0.00 55.36 54.06 1mwa s GLN 242 Cb 0.05 0.29 0.13 0.00 1.00 0.00 0.00 33.01 34.47 1mwa s GLN 242 CO 0.16 -0.31 1.05 0.21 -2.12 0.00 0.00 175.29 174.28 1mwa s LYS 243 N -4.01 0.55 0.03 2.91 2.20 -1.00 -2.08 119.74 118.33 1mwa s LYS 243 Ca 0.20 -0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 55.61 1mwa s LYS 243 Cb 0.06 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.65 1mwa s LYS 243 CO 0.00 -0.21 0.28 1.67 -0.36 0.00 0.00 175.35 176.72 1mwa s TRP 244 N -2.09 -0.08 0.02 4.03 1.48 -1.26 -1.15 118.94 119.89 1mwa s TRP 244 Ca 0.04 -0.01 0.02 0.00 -1.06 0.00 0.00 56.10 55.09 1mwa s TRP 244 Cb -0.01 0.06 -0.01 0.00 -1.16 0.00 0.00 33.47 32.35 1mwa s TRP 244 CO -0.04 -0.45 -0.07 0.00 -4.06 0.00 0.00 176.95 172.32 1mwa s ALA 245 N -2.22 0.57 0.20 2.67 0.00 -0.62 -2.47 121.76 119.89 1mwa s ALA 245 Ca -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1mwa s ALA 245 Cb -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1mwa s ALA 245 CO -0.01 0.07 0.06 -1.54 0.00 0.00 0.00 175.76 174.34 1mwa s SER 246 N -0.77 0.85 0.08 0.00 1.04 0.13 0.00 113.70 115.03 1mwa s SER 246 Ca -0.02 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.05 1mwa s SER 246 Cb -0.06 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1mwa s SER 246 CO 0.00 -0.70 0.14 0.54 0.98 0.00 0.00 173.24 174.21 1mwa s VAL 247 N -3.85 0.16 -0.19 5.02 0.11 -0.58 -1.37 120.40 119.70 1mwa s VAL 247 Ca 0.31 -1.30 -0.07 0.00 -2.93 0.00 0.00 61.98 57.98 1mwa s VAL 247 Cb 0.07 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1mwa s VAL 247 CO 0.08 -0.72 0.07 -0.69 -3.33 0.00 0.00 175.10 170.51 1mwa s VAL 248 N -3.82 4.72 0.17 2.04 1.01 -1.26 -1.20 120.40 122.07 1mwa s VAL 248 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1mwa s VAL 248 Cb 0.05 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1mwa s VAL 248 CO -0.11 0.44 0.04 0.68 0.00 0.00 0.00 175.10 176.16 1mwa s VAL 249 N 0.58 0.41 0.30 2.92 -7.23 0.10 -4.98 120.40 112.50 1mwa s VAL 249 Ca 0.03 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 57.97 1mwa s VAL 249 Cb -0.13 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.52 1mwa s VAL 249 CO 0.01 -0.37 0.94 -2.84 -0.31 0.00 0.00 175.10 172.53 1mwa s PRO 250 N -4.00 4.65 0.29 4.82 0.02 -1.26 -0.87 135.00 138.66 1mwa s PRO 250 Ca 0.27 1.36 -0.30 0.00 0.02 0.00 0.00 61.00 62.36 1mwa s PRO 250 Cb 0.07 -2.93 -0.13 0.00 0.02 0.00 0.00 34.50 31.53 1mwa s PRO 250 CO 0.05 0.35 1.41 -0.11 -0.33 0.00 0.00 177.00 178.37 1mwa n LEU 251 N 0.82 3.61 0.00 -5.54 0.00 0.30 -1.78 117.00 114.41 1mwa n LEU 251 Ca 0.01 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.19 1mwa n LEU 251 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 43.42 42.42 1mwa n LEU 251 CO 0.46 -0.31 0.00 0.61 0.00 0.00 0.00 177.39 178.14 1mwa n GLY 252 N 1.62 0.86 0.00 -3.96 0.00 -1.26 -4.84 105.19 97.60 1mwa n GLY 252 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1mwa n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mwa n LYS 253 N -2.08 -0.20 -0.32 1.61 5.02 -0.73 -4.83 118.16 116.63 1mwa n LYS 253 Ca 0.00 -0.56 0.12 0.00 -2.02 0.00 0.00 58.31 55.85 1mwa n LYS 253 Cb 0.00 -0.89 0.30 0.00 -0.02 0.00 0.00 35.03 34.42 1mwa n LYS 253 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1mwa h GLU 254 N 0.00 0.54 0.00 1.97 3.07 -1.89 -2.71 114.58 115.57 1mwa h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1mwa h GLU 254 Cb 0.20 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1mwa h GLU 254 CO 0.00 0.36 0.00 0.94 -1.40 0.00 0.00 179.01 178.91 1mwa n GLN 255 N -4.92 0.29 -0.01 2.33 -0.06 -1.26 -2.32 117.38 111.44 1mwa n GLN 255 Ca 0.22 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.31 1mwa n GLN 255 Cb 0.60 -1.25 -0.14 0.00 -4.06 0.00 0.00 30.24 25.39 1mwa n GLN 255 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1mwa n TYR 256 N -0.75 0.00 -3.13 3.69 4.01 -1.02 -4.89 117.16 115.06 1mwa n TYR 256 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 1mwa n TYR 256 Cb 0.02 -0.33 -0.06 0.00 -0.31 0.00 0.00 39.34 38.65 1mwa n TYR 256 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1mwa s TYR 257 N -3.16 3.63 0.02 -0.72 1.51 -0.98 -2.53 117.35 115.12 1mwa s TYR 257 Ca -0.04 1.34 0.02 0.00 -1.01 0.00 0.00 57.07 57.38 1mwa s TYR 257 Cb 0.12 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 1mwa s TYR 257 CO 0.76 0.33 -0.08 0.95 -1.11 0.00 0.00 175.55 176.41 1mwa s THR 258 N -1.54 0.59 -0.16 -0.71 -4.23 -0.05 -4.47 115.64 105.07 1mwa s THR 258 Ca 0.43 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1mwa s THR 258 Cb -0.16 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1mwa s THR 258 CO 0.21 -0.09 0.10 0.00 -0.54 0.00 0.00 174.62 174.29 1mwa s HIS 260 N -0.18 2.51 -0.14 0.00 3.76 -0.73 -1.10 115.29 119.41 1mwa s HIS 260 Ca 0.09 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1mwa s HIS 260 Cb -0.12 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 31.97 1mwa s HIS 260 CO 0.01 -0.15 -0.16 0.08 -0.85 0.00 0.00 174.74 173.67 1mwa s VAL 261 N -0.20 1.67 -0.25 -0.90 1.01 -0.32 -1.61 120.40 119.80 1mwa s VAL 261 Ca -0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1mwa s VAL 261 Cb -0.13 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1mwa s VAL 261 CO 0.03 0.48 0.03 -0.31 0.00 0.00 0.00 175.10 175.33 1mwa s TYR 262 N 1.30 3.06 -0.10 5.22 2.02 0.77 -1.44 117.35 128.17 1mwa s TYR 262 Ca 0.02 -0.72 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 1mwa s TYR 262 Cb -0.13 -2.20 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1mwa s TYR 262 CO -0.09 -0.47 0.26 -1.58 -1.57 0.00 0.00 175.55 172.10 1mwa s HIS 263 N 1.54 -0.30 0.25 2.71 2.46 -1.26 -1.92 115.29 118.78 1mwa s HIS 263 Ca 0.05 0.72 0.35 0.00 0.47 0.00 0.00 55.06 56.65 1mwa s HIS 263 Cb -0.15 0.09 1.83 0.00 -0.13 0.00 0.00 32.58 34.22 1mwa s HIS 263 CO 0.01 -0.16 2.06 -0.56 -2.47 0.00 0.00 174.74 173.62 1mwa h GLN 264 N 6.02 0.00 0.00 2.88 3.07 -1.96 -1.51 115.11 123.62 1mwa h GLN 264 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 1mwa h GLN 264 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1mwa h GLN 264 CO 0.35 0.00 -0.18 0.41 0.09 0.00 0.00 178.83 179.50 1mwa n GLY 265 N -1.01 -1.60 3.81 0.06 0.00 -1.26 -4.87 105.19 100.33 1mwa n GLY 265 Ca -0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1mwa n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mwa s LEU 266 N -4.24 4.35 0.37 0.99 1.43 -0.57 -4.66 118.68 116.35 1mwa s LEU 266 Ca 0.10 1.47 0.27 0.00 -1.03 0.00 0.00 54.13 54.94 1mwa s LEU 266 Cb 0.13 -3.62 1.02 0.00 0.03 0.00 0.00 46.19 43.75 1mwa s LEU 266 CO 0.63 0.03 1.81 1.55 0.23 0.00 0.00 176.35 180.59 1mwa h PRO 267 N 3.41 0.00 -1.34 1.29 0.13 -1.89 -3.45 132.00 130.16 1mwa h PRO 267 Ca -0.48 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.83 1mwa h PRO 267 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1mwa h PRO 267 CO 0.65 0.00 0.76 -1.83 -0.23 0.00 0.00 178.00 177.35 1mwa s GLU 268 N -3.40 0.32 0.61 0.86 -1.05 -1.26 -5.16 118.70 109.63 1mwa s GLU 268 Ca 0.04 0.04 -0.19 0.00 -0.15 0.00 0.00 54.97 54.72 1mwa s GLU 268 Cb 0.09 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 1mwa s GLU 268 CO 0.50 -0.11 1.20 -0.35 0.95 0.00 0.00 175.26 177.46 1mwa n PRO 269 N 0.51 1.17 -3.26 -4.83 -0.04 -1.26 -4.96 135.00 122.32 1mwa n PRO 269 Ca -0.04 0.45 -0.36 0.00 -0.04 0.00 0.00 63.50 63.51 1mwa n PRO 269 Cb 0.58 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1mwa n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mwa s LEU 270 N -3.38 4.35 -0.19 1.53 1.43 -0.52 -4.87 118.68 117.02 1mwa s LEU 270 Ca 0.78 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1mwa s LEU 270 Cb -0.40 -3.36 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1mwa s LEU 270 CO 0.44 0.09 -0.06 -0.89 0.23 0.00 0.00 176.35 176.16 1mwa s THR 271 N -1.47 1.33 -0.04 5.49 2.01 -1.26 -1.17 115.64 120.54 1mwa s THR 271 Ca 0.39 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1mwa s THR 271 Cb -0.16 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1mwa s THR 271 CO 0.20 0.07 -0.17 -1.48 -0.69 0.00 0.00 174.62 172.55 1mwa s LEU 272 N 1.52 1.94 0.17 4.42 2.34 -0.26 -4.96 118.68 123.85 1mwa s LEU 272 Ca -0.02 -0.33 0.10 0.00 0.06 0.00 0.00 54.13 53.94 1mwa s LEU 272 Cb -0.16 -0.93 -0.04 0.00 -0.56 0.00 0.00 46.19 44.49 1mwa s LEU 272 CO -0.07 0.16 -0.23 -0.60 -1.06 0.00 0.00 176.35 174.55 1mwa s ARG 273 N -0.06 1.40 0.00 1.48 3.52 -1.26 -0.91 118.95 123.13 1mwa s ARG 273 Ca -0.01 -1.44 0.19 0.00 -0.13 0.00 0.00 55.73 54.34 1mwa s ARG 273 Cb -0.10 -1.68 0.15 0.00 -1.56 0.00 0.00 34.95 31.76 1mwa s ARG 273 CO 0.01 0.37 1.10 1.87 -0.81 0.00 0.00 175.30 177.84