#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwu s PRO 12 N 0.00 2.96 0.09 5.56 0.02 -1.26 -4.70 135.00 137.67 2pwu s PRO 12 Ca 0.00 1.40 -0.21 0.00 0.02 0.00 0.00 61.00 62.21 2pwu s PRO 12 Cb 0.00 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 2pwu s PRO 12 CO 0.00 -1.13 1.65 -0.09 -0.33 0.00 0.00 177.00 177.10 2pwu h ARG 13 N 0.27 0.24 -0.67 5.54 2.43 -1.85 -1.99 114.38 118.35 2pwu h ARG 13 Ca -0.47 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 58.81 2pwu h ARG 13 Cb 1.25 -0.04 -0.21 0.00 -0.42 0.00 0.00 29.97 30.55 2pwu h ARG 13 CO 0.55 0.29 -0.10 0.12 -1.51 0.00 0.00 179.97 179.32 2pwu s PHE 14 N -5.66 -1.12 -0.19 2.20 5.36 -1.22 -4.14 117.98 113.22 2pwu s PHE 14 Ca -0.14 1.06 -0.02 0.00 -0.96 0.00 0.00 56.93 56.87 2pwu s PHE 14 Cb 0.07 0.35 0.06 0.00 -0.34 0.00 0.00 43.02 43.15 2pwu s PHE 14 CO 0.70 -0.62 0.02 0.45 -1.46 0.00 0.00 175.22 174.31 2pwu s SER 15 N 2.90 2.96 -0.31 6.13 0.15 -0.59 -4.96 113.70 119.97 2pwu s SER 15 Ca 0.12 -0.82 -0.11 0.00 0.70 0.00 0.00 55.95 55.83 2pwu s SER 15 Cb -0.11 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.50 2pwu s SER 15 CO -0.18 -0.29 0.20 0.12 1.20 0.00 0.00 173.24 174.29 2pwu s PHE 16 N 1.80 3.20 -0.19 3.44 5.36 -1.26 0.20 117.98 130.54 2pwu s PHE 16 Ca -0.01 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.70 2pwu s PHE 16 Cb -0.17 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.11 2pwu s PHE 16 CO -0.08 -0.34 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.07 2pwu s SER 17 N 1.69 3.52 -0.29 6.13 0.01 -0.22 -4.99 113.70 119.55 2pwu s SER 17 Ca 0.06 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.57 2pwu s SER 17 Cb -0.17 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.49 2pwu s SER 17 CO 0.09 0.01 0.59 -0.63 0.41 0.00 0.00 173.24 173.71 2pwu s ILE 18 N 1.26 4.99 -0.10 1.44 1.01 -1.26 -0.84 121.20 127.69 2pwu s ILE 18 Ca 0.03 0.84 0.16 0.00 0.00 0.00 0.00 60.65 61.68 2pwu s ILE 18 Cb -0.14 -3.94 -0.14 0.00 0.01 0.00 0.00 42.46 38.25 2pwu s ILE 18 CO -0.08 -0.07 0.86 0.00 0.00 0.00 0.00 174.94 175.65 2pwu h ALA 19 N 8.14 0.67 -2.69 9.38 0.00 0.25 -3.48 119.26 131.53 2pwu h ALA 19 Ca -0.27 -0.93 0.01 0.00 0.00 0.00 0.00 54.91 53.72 2pwu h ALA 19 Cb 1.13 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 2pwu h ALA 19 CO 0.77 1.02 0.29 0.00 0.00 0.00 0.00 179.25 181.33 2pwu s ALA 20 N -2.86 -1.68 0.06 0.00 0.00 -0.88 -5.02 121.76 111.38 2pwu s ALA 20 Ca -0.03 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.67 2pwu s ALA 20 Cb 0.08 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2pwu s ALA 20 CO 0.81 -0.70 -0.05 1.03 0.00 0.00 0.00 175.76 176.85 2pwu s ARG 21 N -3.27 0.62 -0.26 0.00 0.52 -1.26 -1.33 118.95 113.97 2pwu s ARG 21 Ca 0.01 -1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 2pwu s ARG 21 Cb -0.01 -0.08 0.14 0.00 0.52 0.00 0.00 34.95 35.52 2pwu s ARG 21 CO -0.09 -0.03 0.38 -2.00 0.02 0.00 0.00 175.30 173.58 2pwu s GLU 22 N -2.91 0.37 7.78 3.54 2.12 -0.39 -4.89 118.70 124.31 2pwu s GLU 22 Ca 0.01 0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2pwu s GLU 22 Cb -0.00 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 33.95 2pwu s GLU 22 CO -0.04 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 2pwu n GLY 23 N 5.36 3.42 0.03 -1.50 0.00 -1.26 -1.22 105.19 110.03 2pwu n GLY 23 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2pwu n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pwu n LYS 24 N 13.60 0.14 -2.46 1.61 5.02 -1.26 -4.92 118.16 129.89 2pwu n LYS 24 Ca 0.00 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 2pwu n LYS 24 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 2pwu n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwu s ALA 25 N -3.08 3.22 0.04 7.82 0.00 -0.36 -3.54 121.76 125.86 2pwu s ALA 25 Ca 0.09 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2pwu s ALA 25 Cb 0.16 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2pwu s ALA 25 CO 0.69 -0.26 -0.13 1.03 0.00 0.00 0.00 175.76 177.08 2pwu s ARG 26 N -2.07 0.84 0.02 0.00 3.00 -1.26 -1.27 118.95 118.22 2pwu s ARG 26 Ca 0.53 -0.77 0.02 0.00 0.00 0.00 0.00 55.73 55.51 2pwu s ARG 26 Cb -0.28 -0.83 -0.01 0.00 0.00 0.00 0.00 34.95 33.83 2pwu s ARG 26 CO 0.35 0.20 -0.08 -0.08 0.00 0.00 0.00 175.30 175.69 2pwu s THR 27 N -0.95 0.58 -1.02 0.02 -1.32 -0.44 -4.07 115.64 108.44 2pwu s THR 27 Ca -0.00 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 2pwu s THR 27 Cb -0.08 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2pwu s THR 27 CO 0.01 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2pwu n GLY 28 N 2.18 -0.75 3.06 6.08 0.00 -0.58 0.96 105.19 116.15 2pwu n GLY 28 Ca -0.18 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 2pwu n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwu s THR 29 N -3.98 0.10 -0.19 2.61 -4.23 -0.02 -0.63 115.64 109.30 2pwu s THR 29 Ca 0.00 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 2pwu s THR 29 Cb 0.00 -0.44 0.01 0.00 1.34 0.00 0.00 72.50 73.40 2pwu s THR 29 CO 0.00 -0.46 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.85 2pwu s ILE 30 N -1.61 2.65 -0.17 2.99 1.01 0.17 -1.05 121.20 125.19 2pwu s ILE 30 Ca -0.14 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 2pwu s ILE 30 Cb -0.07 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 2pwu s ILE 30 CO -0.00 0.49 0.22 -1.61 0.00 0.00 0.00 174.94 174.04 2pwu s GLU 31 N 1.33 4.18 0.22 2.79 2.02 0.13 -0.13 118.70 129.24 2pwu s GLU 31 Ca 0.05 -0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.02 2pwu s GLU 31 Cb -0.14 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 2pwu s GLU 31 CO -0.08 0.30 0.03 -1.64 0.02 0.00 0.00 175.26 173.89 2pwu s MET 32 N 0.31 1.29 0.36 1.61 -1.94 -0.40 -1.54 119.30 118.98 2pwu s MET 32 Ca 0.13 -1.66 0.03 0.00 -1.71 0.00 0.00 55.69 52.48 2pwu s MET 32 Cb -0.12 -0.40 0.67 0.00 2.01 0.00 0.00 34.83 36.98 2pwu s MET 32 CO 0.02 -0.17 2.02 0.87 -0.01 0.00 0.00 175.02 177.75 2pwu h LYS 33 N 2.51 0.79 -0.60 2.03 1.57 -1.51 -2.24 116.57 119.13 2pwu h LYS 33 Ca -0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2pwu h LYS 33 Cb 1.22 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2pwu h LYS 33 CO 0.63 0.53 0.00 0.54 -0.57 0.00 0.00 179.45 180.58 2pwu n ARG 34 N -4.44 2.48 0.00 3.15 1.74 -1.26 -4.96 116.66 113.36 2pwu n ARG 34 Ca 0.06 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 2pwu n ARG 34 Cb 0.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2pwu n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwu n GLY 35 N 1.52 2.65 3.83 -0.13 0.00 -0.84 -4.15 105.19 108.07 2pwu n GLY 35 Ca 0.21 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2pwu n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pwu s VAL 36 N -2.00 5.35 -0.24 1.61 1.01 -1.26 -1.28 120.40 123.59 2pwu s VAL 36 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 2pwu s VAL 36 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2pwu s VAL 36 CO 0.00 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2pwu s ILE 37 N -0.69 3.28 -0.01 2.22 1.01 0.82 -4.85 121.20 122.97 2pwu s ILE 37 Ca 0.17 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.85 2pwu s ILE 37 Cb -0.13 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2pwu s ILE 37 CO 0.06 0.30 0.84 -0.13 0.00 0.00 0.00 174.94 176.00 2pwu s ARG 38 N 1.43 4.51 0.06 2.79 0.52 -1.26 0.42 118.95 127.42 2pwu s ARG 38 Ca 0.03 1.16 0.08 0.00 -0.52 0.00 0.00 55.73 56.48 2pwu s ARG 38 Cb -0.15 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 2pwu s ARG 38 CO -0.03 0.07 -0.21 0.95 0.02 0.00 0.00 175.30 176.10 2pwu s THR 39 N 0.66 2.58 0.22 0.02 -4.23 0.19 -3.15 115.64 111.94 2pwu s THR 39 Ca 0.44 -1.35 -0.32 0.00 -1.18 0.00 0.00 61.69 59.28 2pwu s THR 39 Cb -0.20 -2.09 -0.13 0.00 1.34 0.00 0.00 72.50 71.42 2pwu s THR 39 CO 0.24 0.28 1.58 -2.65 -0.54 0.00 0.00 174.62 173.52 2pwu n PRO 40 N 1.41 2.41 -4.70 3.99 -0.02 -1.26 -1.52 135.00 135.32 2pwu n PRO 40 Ca -0.16 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 2pwu n PRO 40 Cb 0.52 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 2pwu n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pwu s ALA 41 N 0.54 2.81 -0.17 3.55 0.00 -0.21 -4.83 121.76 123.45 2pwu s ALA 41 Ca 0.72 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 2pwu s ALA 41 Cb -0.59 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2pwu s ALA 41 CO 0.42 0.58 -0.06 0.12 0.00 0.00 0.00 175.76 176.82 2pwu s PHE 42 N -0.84 2.96 -0.39 0.00 5.36 -1.26 -1.38 117.98 122.43 2pwu s PHE 42 Ca 0.13 -0.53 -0.11 0.00 -0.96 0.00 0.00 56.93 55.46 2pwu s PHE 42 Cb -0.11 -1.97 0.04 0.00 -0.34 0.00 0.00 43.02 40.63 2pwu s PHE 42 CO 0.03 -0.21 0.23 -1.64 -1.46 0.00 0.00 175.22 172.18 2pwu s MET 43 N 0.66 2.81 0.42 10.12 -1.94 0.43 -4.73 119.30 127.07 2pwu s MET 43 Ca -0.03 -1.14 -0.26 0.00 -1.71 0.00 0.00 55.69 52.55 2pwu s MET 43 Cb -0.15 -3.79 -0.10 0.00 2.01 0.00 0.00 34.83 32.81 2pwu s MET 43 CO 0.02 -0.76 1.34 -2.30 -0.01 0.00 0.00 175.02 173.31 2pwu n PRO 44 N 5.02 2.10 -3.48 2.03 -0.02 -1.26 -3.95 135.00 135.44 2pwu n PRO 44 Ca -0.12 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 2pwu n PRO 44 Cb 0.46 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 2pwu n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pwu s VAL 45 N -1.18 5.27 -0.50 -1.45 1.01 -1.26 -1.32 120.40 120.97 2pwu s VAL 45 Ca 0.60 0.61 0.07 0.00 0.00 0.00 0.00 61.98 63.25 2pwu s VAL 45 Cb -0.49 -3.67 0.37 0.00 0.00 0.00 0.00 36.38 32.58 2pwu s VAL 45 CO 0.59 0.34 0.95 0.61 0.00 0.00 0.00 175.10 177.60 2pwu n GLY 46 N 3.56 5.19 0.00 4.51 0.00 0.20 -4.39 105.19 114.26 2pwu n GLY 46 Ca -0.11 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.37 2pwu n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pwu n THR 47 N -0.21 0.00 -2.30 2.61 -1.04 -1.22 -2.31 114.28 109.80 2pwu n THR 47 Ca 0.31 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.92 2pwu n THR 47 Cb 0.51 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.03 2pwu n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pwu n ALA 48 N -0.04 6.35 -2.11 2.41 0.00 -1.26 -3.59 120.51 122.27 2pwu n ALA 48 Ca 0.00 -4.31 -0.16 0.00 0.00 0.00 0.00 53.44 48.97 2pwu n ALA 48 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 2pwu n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwu n ALA 49 N 0.38 -0.42 -3.61 0.00 0.00 -0.98 -4.98 120.51 110.91 2pwu n ALA 49 Ca 0.52 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.99 2pwu n ALA 49 Cb 0.27 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 2pwu n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pwu s THR 50 N -2.74 -0.00 -0.46 0.00 -1.32 -1.22 -4.75 115.64 105.15 2pwu s THR 50 Ca 0.00 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2pwu s THR 50 Cb 0.00 -0.96 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 2pwu s THR 50 CO 0.00 0.00 1.19 -0.69 -2.21 0.00 0.00 174.62 172.92 2pwu s VAL 51 N 0.67 4.15 0.04 5.08 1.01 -1.26 -3.42 120.40 126.68 2pwu s VAL 51 Ca -0.02 1.18 -0.35 0.00 0.00 0.00 0.00 61.98 62.79 2pwu s VAL 51 Cb -0.05 -4.51 -0.14 0.00 0.00 0.00 0.00 36.38 31.67 2pwu s VAL 51 CO -0.04 -0.94 1.60 0.29 0.00 0.00 0.00 175.10 176.02 2pwu n LYS 52 N 7.85 1.82 -1.19 2.72 5.02 -1.26 -1.88 118.16 131.24 2pwu n LYS 52 Ca 0.13 0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 57.01 2pwu n LYS 52 Cb 0.49 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 2pwu n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwu n ALA 53 N 4.10 -0.10 -3.08 7.82 0.00 -1.26 -4.98 120.51 123.00 2pwu n ALA 53 Ca 0.19 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 2pwu n ALA 53 Cb 0.25 -1.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 2pwu n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pwu s LEU 54 N -1.47 1.77 0.52 0.00 1.43 -0.79 -4.57 118.68 115.57 2pwu s LEU 54 Ca 0.00 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 2pwu s LEU 54 Cb 0.00 -0.64 -0.06 0.00 0.03 0.00 0.00 46.19 45.52 2pwu s LEU 54 CO 0.00 0.07 1.21 -0.54 0.23 0.00 0.00 176.35 177.32 2pwu s LYS 55 N 0.25 3.40 0.40 1.70 1.02 -1.26 -4.54 119.74 120.71 2pwu s LYS 55 Ca -0.05 1.86 0.07 0.00 0.02 0.00 0.00 55.97 57.87 2pwu s LYS 55 Cb -0.10 -2.21 0.84 0.00 -0.52 0.00 0.00 37.83 35.84 2pwu s LYS 55 CO 0.01 -0.87 2.02 -1.35 -0.92 0.00 0.00 175.35 174.24 2pwu h PRO 56 N 1.55 0.59 -0.80 -1.68 0.11 -1.86 -0.72 132.00 129.19 2pwu h PRO 56 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2pwu h PRO 56 Cb 1.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2pwu h PRO 56 CO 0.58 0.39 0.50 1.05 -0.21 0.00 0.00 178.00 180.31 2pwu h GLU 57 N 0.61 1.07 -0.47 1.05 4.11 -1.91 0.81 114.58 119.84 2pwu h GLU 57 Ca 0.22 -0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.51 2pwu h GLU 57 Cb 0.11 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2pwu h GLU 57 CO -0.06 0.73 0.07 1.15 0.07 0.00 0.00 179.01 180.97 2pwu h THR 58 N 1.09 1.25 -0.80 -1.06 2.02 -1.55 0.57 112.91 114.43 2pwu h THR 58 Ca 0.29 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.63 2pwu h THR 58 Cb -0.08 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 2pwu h THR 58 CO -0.06 0.33 0.45 0.58 0.37 0.00 0.00 175.52 177.19 2pwu h VAL 59 N 0.65 0.92 -0.53 3.16 2.07 -0.52 -1.50 116.25 120.49 2pwu h VAL 59 Ca 0.14 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 2pwu h VAL 59 Cb 0.40 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2pwu h VAL 59 CO 0.01 0.14 -0.02 -0.09 0.02 0.00 0.00 177.57 177.63 2pwu h ARG 60 N 0.77 0.94 -0.21 1.57 9.65 -0.53 -2.75 114.38 123.82 2pwu h ARG 60 Ca 0.38 -0.31 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 2pwu h ARG 60 Cb 0.33 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2pwu h ARG 60 CO -0.24 0.97 0.16 0.00 2.80 0.00 0.00 179.97 183.66 2pwu h ALA 61 N 0.94 2.13 0.00 2.80 0.00 0.11 0.11 119.26 125.35 2pwu h ALA 61 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pwu h ALA 61 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pwu h ALA 61 CO 0.03 -0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.26 2pwu n THR 62 N -4.35 0.61 0.00 0.00 -2.24 -0.83 -4.86 114.28 102.60 2pwu n THR 62 Ca 0.02 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2pwu n THR 62 Cb 0.30 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2pwu n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwu n GLY 63 N 0.74 0.84 3.77 3.38 0.00 0.37 -4.66 105.19 109.63 2pwu n GLY 63 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2pwu n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwu s ALA 64 N -2.00 3.61 -0.28 4.61 0.00 -1.17 -4.91 121.76 121.62 2pwu s ALA 64 Ca 0.00 1.48 0.22 0.00 0.00 0.00 0.00 51.96 53.66 2pwu s ALA 64 Cb 0.00 -3.59 -0.21 0.00 0.00 0.00 0.00 23.12 19.32 2pwu s ALA 64 CO 0.00 -0.91 0.71 -0.25 0.00 0.00 0.00 175.76 175.31 2pwu n ASP 65 N 1.21 0.36 -3.59 0.00 8.00 -1.26 -4.64 116.55 116.63 2pwu n ASP 65 Ca 0.03 -0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 2pwu n ASP 65 Cb 0.39 1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 42.87 2pwu n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pwu s ILE 66 N -3.38 0.00 0.32 0.53 2.07 -1.26 -4.18 121.20 115.30 2pwu s ILE 66 Ca -0.03 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.32 2pwu s ILE 66 Cb 0.14 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.67 2pwu s ILE 66 CO 0.87 0.00 -0.12 0.27 -1.91 0.00 0.00 174.94 174.04 2pwu s ILE 67 N -0.20 2.40 -0.17 2.00 -4.36 -1.11 -4.03 121.20 115.73 2pwu s ILE 67 Ca -0.03 -2.26 -0.07 0.00 -0.26 0.00 0.00 60.65 58.03 2pwu s ILE 67 Cb -0.03 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2pwu s ILE 67 CO 0.03 -0.28 0.06 -0.22 0.24 0.00 0.00 174.94 174.77 2pwu s LEU 68 N -3.58 3.83 0.17 0.37 0.20 -0.43 -1.42 118.68 117.82 2pwu s LEU 68 Ca 0.32 0.11 0.11 0.00 0.69 0.00 0.00 54.13 55.36 2pwu s LEU 68 Cb -0.01 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 2pwu s LEU 68 CO 0.16 0.21 -0.22 -0.83 -0.29 0.00 0.00 176.35 175.38 2pwu s GLY 69 N 0.16 1.68 -0.25 7.98 0.00 0.40 0.60 107.32 117.89 2pwu s GLY 69 Ca 0.05 -1.54 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 2pwu s GLY 69 CO 0.01 -1.55 0.24 -1.31 0.00 0.00 0.00 173.10 170.49 2pwu s ASN 70 N -2.47 6.16 0.12 1.64 -0.87 -1.24 -1.71 114.94 116.57 2pwu s ASN 70 Ca 0.19 0.17 -0.13 0.00 -1.57 0.00 0.00 52.86 51.53 2pwu s ASN 70 Cb -0.09 -2.15 -0.08 0.00 -0.02 0.00 0.00 41.25 38.91 2pwu s ASN 70 CO 0.10 -0.03 1.41 0.74 -2.57 0.00 0.00 177.10 176.74 2pwu h THR 71 N 5.18 1.28 0.10 1.60 2.02 -1.86 -2.45 112.91 118.79 2pwu h THR 71 Ca -0.36 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.19 2pwu h THR 71 Cb 1.17 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2pwu h THR 71 CO 0.63 0.53 -0.09 0.22 0.37 0.00 0.00 175.52 177.19 2pwu h TYR 72 N 0.61 -0.22 -0.34 3.16 3.20 -1.85 -1.33 116.97 120.20 2pwu h TYR 72 Ca 0.03 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2pwu h TYR 72 Cb 1.05 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2pwu h TYR 72 CO 0.07 -0.13 -0.10 0.45 -1.64 0.00 0.00 178.16 176.81 2pwu h HIS 73 N -0.20 0.76 0.00 -3.82 3.86 -1.91 -3.07 115.15 110.77 2pwu h HIS 73 Ca 0.00 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2pwu h HIS 73 Cb 0.18 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2pwu h HIS 73 CO -0.10 0.85 -0.35 -0.07 0.86 0.00 0.00 177.93 179.11 2pwu h LEU 74 N 0.45 0.00 -1.07 2.43 3.38 -1.34 0.09 115.31 119.27 2pwu h LEU 74 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2pwu h LEU 74 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2pwu h LEU 74 CO 0.04 0.35 -0.43 0.00 0.09 0.00 0.00 178.44 178.49 2pwu h MET 75 N 0.00 0.00 0.05 1.13 -0.00 -1.15 0.28 114.93 115.24 2pwu h MET 75 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 2pwu h MET 75 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.35 2pwu h MET 75 CO 0.05 0.43 -0.86 -0.07 -0.00 0.00 0.00 176.91 176.46 2pwu h LEU 76 N 0.00 0.18 -7.35 -0.10 3.38 -1.40 -3.31 115.31 106.71 2pwu h LEU 76 Ca -0.00 -0.82 -0.42 0.00 0.09 0.00 0.00 57.88 56.72 2pwu h LEU 76 Cb 0.83 -0.06 -0.39 0.00 0.09 0.00 0.00 40.66 41.14 2pwu h LEU 76 CO 0.06 1.37 -0.75 -0.13 0.09 0.00 0.00 178.44 179.07 2pwu s ARG 77 N -2.36 0.29 -0.02 1.13 0.52 -0.02 -3.85 118.95 114.63 2pwu s ARG 77 Ca -0.21 0.15 0.10 0.00 -0.52 0.00 0.00 55.73 55.25 2pwu s ARG 77 Cb 0.02 -0.97 0.32 0.00 0.52 0.00 0.00 34.95 34.83 2pwu s ARG 77 CO 0.71 -0.38 1.22 -0.35 0.02 0.00 0.00 175.30 176.52 2pwu n PRO 78 N 5.21 2.00 0.00 3.54 -0.04 -1.21 -4.12 135.00 140.37 2pwu n PRO 78 Ca -0.06 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2pwu n PRO 78 Cb 0.50 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2pwu n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pwu n GLY 79 N 0.89 1.97 0.23 0.55 0.00 0.97 -4.63 105.19 105.18 2pwu n GLY 79 Ca 0.12 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 2pwu n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwu h ALA 80 N 0.00 0.53 -0.23 4.61 0.00 -1.74 -1.22 119.26 121.21 2pwu h ALA 80 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2pwu h ALA 80 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pwu h ALA 80 CO 0.00 0.69 -0.45 0.93 0.00 0.00 0.00 179.25 180.42 2pwu h GLU 81 N 0.55 0.58 -0.56 0.00 4.39 -1.93 -0.03 114.58 117.58 2pwu h GLU 81 Ca -0.00 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 2pwu h GLU 81 Cb 1.19 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 2pwu h GLU 81 CO 0.12 0.91 0.30 -0.09 -1.16 0.00 0.00 179.01 179.09 2pwu h ARG 82 N 0.47 0.78 -0.41 2.33 2.43 -1.80 0.15 114.38 118.33 2pwu h ARG 82 Ca 0.03 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 2pwu h ARG 82 Cb 0.96 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2pwu h ARG 82 CO 0.09 0.61 -0.13 0.82 -1.51 0.00 0.00 179.97 179.85 2pwu h ILE 83 N 0.75 1.26 -0.59 1.20 2.04 -0.80 -1.37 117.51 120.00 2pwu h ILE 83 Ca 0.20 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 2pwu h ILE 83 Cb 0.06 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2pwu h ILE 83 CO -0.03 0.40 0.27 0.00 0.00 0.00 0.00 178.15 178.79 2pwu h ALA 84 N 1.18 0.77 -0.22 1.87 0.00 -0.48 0.99 119.26 123.38 2pwu h ALA 84 Ca 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pwu h ALA 84 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2pwu h ALA 84 CO 0.04 0.35 0.13 -0.22 0.00 0.00 0.00 179.25 179.54 2pwu h LYS 85 N 0.81 0.29 -0.02 0.00 3.64 -0.30 -0.76 116.57 120.23 2pwu h LYS 85 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2pwu h LYS 85 Cb 0.14 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2pwu h LYS 85 CO -0.02 0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.64 2pwu n LEU 86 N -4.49 0.32 0.00 5.20 4.32 -0.55 -4.86 117.00 116.95 2pwu n LEU 86 Ca 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2pwu n LEU 86 Cb 0.09 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2pwu n LEU 86 CO 0.35 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 2pwu n GLY 87 N 0.91 0.63 0.00 -0.72 0.00 -0.29 -4.60 105.19 101.11 2pwu n GLY 87 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2pwu n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwu n GLY 88 N -1.46 1.87 0.29 -0.02 0.00 0.28 -4.52 105.19 101.62 2pwu n GLY 88 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2pwu n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pwu h LEU 89 N 0.00 0.95 0.02 0.99 5.85 -1.15 -1.20 115.31 120.78 2pwu h LEU 89 Ca 0.00 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2pwu h LEU 89 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2pwu h LEU 89 CO 0.00 1.09 -0.21 0.45 -0.34 0.00 0.00 178.44 179.43 2pwu h HIS 90 N 0.84 -0.55 0.15 1.25 3.86 -1.78 -1.79 115.15 117.13 2pwu h HIS 90 Ca 0.13 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2pwu h HIS 90 Cb 0.70 0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 2pwu h HIS 90 CO 0.04 -0.30 -0.16 1.03 0.86 0.00 0.00 177.93 179.41 2pwu h SER 91 N -0.35 -0.43 -0.28 2.45 0.87 -1.77 -0.04 113.55 114.00 2pwu h SER 91 Ca 0.05 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2pwu h SER 91 Cb 0.41 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 2pwu h SER 91 CO -0.18 -0.24 -0.11 0.15 -0.53 0.00 0.00 176.83 175.92 2pwu h PHE 92 N -0.35 -0.26 -0.01 2.24 3.57 -1.06 -2.98 116.94 118.09 2pwu h PHE 92 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pwu h PHE 92 Cb 0.33 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2pwu h PHE 92 CO -0.14 -0.17 -0.36 0.00 -2.23 0.00 0.00 178.31 175.40 2pwu n MET 93 N -5.28 1.20 -3.10 1.11 0.00 -0.69 -4.98 117.12 105.37 2pwu n MET 93 Ca -0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 57.70 56.65 2pwu n MET 93 Cb 0.20 -1.48 0.04 0.00 0.00 0.00 0.00 33.22 31.98 2pwu n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pwu n GLY 94 N 1.38 0.11 3.19 3.17 0.00 -0.12 -4.78 105.19 108.14 2pwu n GLY 94 Ca 0.11 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2pwu n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pwu s TRP 95 N -3.17 3.00 -1.53 1.61 -0.11 -0.64 -4.75 118.94 113.35 2pwu s TRP 95 Ca 0.32 -1.54 0.19 0.00 1.22 0.00 0.00 56.10 56.30 2pwu s TRP 95 Cb -0.14 -2.03 0.58 0.00 -1.50 0.00 0.00 33.47 30.38 2pwu s TRP 95 CO 0.40 -0.73 1.49 -0.40 -4.62 0.00 0.00 176.95 173.09 2pwu n ASP 96 N 4.66 3.86 -5.00 5.86 5.68 -1.26 -4.46 116.55 125.89 2pwu n ASP 96 Ca -0.18 -2.10 -0.19 0.00 -0.50 0.00 0.00 54.79 51.82 2pwu n ASP 96 Cb 0.48 -0.45 0.05 0.00 -1.14 0.00 0.00 41.12 40.06 2pwu n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pwu s ARG 97 N -1.19 2.42 0.46 0.11 0.52 -1.26 -4.86 118.95 115.15 2pwu s ARG 97 Ca 0.43 -1.45 -0.23 0.00 -0.52 0.00 0.00 55.73 53.97 2pwu s ARG 97 Cb 0.24 -2.65 -0.10 0.00 0.52 0.00 0.00 34.95 32.96 2pwu s ARG 97 CO 0.27 -0.73 0.91 -2.30 0.02 0.00 0.00 175.30 173.47 2pwu n PRO 98 N -2.18 1.11 -4.42 3.54 -0.02 -1.26 -4.93 135.00 126.84 2pwu n PRO 98 Ca 0.13 0.40 -0.24 0.00 -2.02 0.00 0.00 63.50 61.77 2pwu n PRO 98 Cb 0.61 -1.97 -0.17 0.00 -0.02 0.00 0.00 33.50 31.95 2pwu n PRO 98 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pwu s ILE 99 N -1.38 1.02 -0.18 4.25 1.01 -1.26 -2.76 121.20 121.90 2pwu s ILE 99 Ca 0.66 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 2pwu s ILE 99 Cb -0.53 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2pwu s ILE 99 CO 0.55 0.34 0.23 -0.22 0.00 0.00 0.00 174.94 175.84 2pwu s LEU 100 N 0.86 4.22 -0.13 2.97 0.20 -0.50 -0.77 118.68 125.52 2pwu s LEU 100 Ca -0.11 0.38 -0.02 0.00 0.69 0.00 0.00 54.13 55.07 2pwu s LEU 100 Cb -0.15 -2.26 -0.03 0.00 -0.43 0.00 0.00 46.19 43.32 2pwu s LEU 100 CO 0.01 0.12 -0.06 0.42 -0.29 0.00 0.00 176.35 176.55 2pwu s THR 101 N 0.48 3.68 0.72 3.68 -4.23 -0.62 -0.45 115.64 118.90 2pwu s THR 101 Ca 0.13 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 2pwu s THR 101 Cb -0.12 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.17 2pwu s THR 101 CO 0.02 0.52 1.07 1.51 -0.54 0.00 0.00 174.62 177.21 2pwu s ASP 102 N 0.08 5.05 0.22 3.99 3.84 -0.70 -2.84 116.67 126.31 2pwu s ASP 102 Ca -0.02 1.74 0.25 0.00 -0.00 0.00 0.00 52.55 54.52 2pwu s ASP 102 Cb -0.14 -2.51 0.60 0.00 -1.38 0.00 0.00 42.92 39.49 2pwu s ASP 102 CO 0.03 -1.67 1.62 0.77 -0.00 0.00 0.00 175.17 175.92 2pwu h SER 103 N -0.74 0.00 0.00 2.11 4.64 -1.84 -3.05 113.55 114.67 2pwu h SER 103 Ca -0.44 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2pwu h SER 103 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2pwu h SER 103 CO 0.54 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 2pwu n GLY 104 N 1.28 3.36 0.00 -0.77 0.00 -1.26 -4.73 105.19 103.07 2pwu n GLY 104 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2pwu n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwu n GLY 105 N -1.72 -3.08 0.23 -0.02 0.00 -1.26 -0.54 105.19 98.79 2pwu n GLY 105 Ca 0.00 0.53 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 2pwu n GLY 105 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2pwu h TYR 106 N 0.00 0.28 0.00 1.61 -0.00 -1.94 -2.15 116.97 114.77 2pwu h TYR 106 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 2pwu h TYR 106 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.69 2pwu h TYR 106 CO -0.77 0.03 0.00 -0.56 -0.00 0.00 0.00 178.16 176.86 2pwu h GLN 107 N 0.32 0.00 0.06 0.10 3.07 -1.90 -2.95 115.11 113.81 2pwu h GLN 107 Ca 0.30 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.78 2pwu h GLN 107 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.99 2pwu h GLN 107 CO -0.35 0.00 -1.10 -0.24 0.09 0.00 0.00 178.83 177.23 2pwu h VAL 108 N 0.00 1.38 0.00 1.86 3.04 -0.13 -2.73 116.25 119.67 2pwu h VAL 108 Ca 0.00 -2.56 0.00 0.00 -1.01 0.00 0.00 66.70 63.13 2pwu h VAL 108 Cb 0.69 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 2pwu h VAL 108 CO 0.00 0.77 0.00 0.23 -1.01 0.00 0.00 177.57 177.56 2pwu n MET 109 N -3.72 0.00 0.15 4.17 2.81 -1.16 -2.92 117.12 116.45 2pwu n MET 109 Ca -0.09 0.43 0.10 0.00 -1.81 0.00 0.00 57.70 56.33 2pwu n MET 109 Cb 0.92 -1.26 0.53 0.00 -0.71 0.00 0.00 33.22 32.70 2pwu n MET 109 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2pwu n SER 110 N -1.78 0.52 -0.00 7.83 3.41 -1.12 -2.92 113.62 119.56 2pwu n SER 110 Ca 0.00 0.73 0.06 0.00 -0.26 0.00 0.00 58.87 59.40 2pwu n SER 110 Cb 0.00 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.07 2pwu n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pwu n LEU 111 N -2.19 0.40 0.00 1.04 4.77 -1.03 -5.07 117.00 114.91 2pwu n LEU 111 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2pwu n LEU 111 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2pwu n LEU 111 CO 0.10 0.10 0.00 -1.20 -1.33 0.00 0.00 177.39 175.06 2pwu n SER 112 N -1.44 0.00 -4.07 -1.43 7.64 -1.15 -5.02 113.62 108.16 2pwu n SER 112 Ca 0.01 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.54 2pwu n SER 112 Cb 0.21 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.30 2pwu n SER 112 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2pwu s LYS 116 N 1.69 2.10 0.49 1.43 0.00 0.49 -5.00 119.74 120.94 2pwu s LYS 116 Ca 0.00 -2.17 -0.22 0.00 0.00 0.00 0.00 55.97 53.58 2pwu s LYS 116 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 37.83 34.22 2pwu s LYS 116 CO 0.00 -1.09 1.15 -0.65 0.00 0.00 0.00 175.35 174.76 2pwu s GLN 117 N 0.51 3.60 0.08 1.78 -1.52 -1.26 -0.83 119.66 122.02 2pwu s GLN 117 Ca 0.13 1.71 -0.27 0.00 -1.95 0.00 0.00 55.36 54.98 2pwu s GLN 117 Cb -0.22 -2.25 0.09 0.00 -0.22 0.00 0.00 33.01 30.41 2pwu s GLN 117 CO -0.04 -0.67 1.11 -1.54 -0.25 0.00 0.00 175.29 173.90 2pwu s SER 118 N -1.52 -0.12 0.50 5.90 1.04 0.38 -4.93 113.70 114.95 2pwu s SER 118 Ca 0.67 -0.29 0.15 0.00 0.48 0.00 0.00 55.95 56.96 2pwu s SER 118 Cb -0.27 0.34 1.19 0.00 0.10 0.00 0.00 66.02 67.39 2pwu s SER 118 CO 0.32 -0.64 2.12 -0.08 0.98 0.00 0.00 173.24 175.94 2pwu h GLU 119 N 2.00 0.11 -0.57 4.02 4.57 -2.02 0.17 114.58 122.85 2pwu h GLU 119 Ca -0.27 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 2pwu h GLU 119 Cb 1.22 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2pwu h GLU 119 CO 0.27 0.08 0.14 0.93 -1.18 0.00 0.00 179.01 179.25 2pwu h GLU 120 N 0.12 0.92 0.00 1.92 3.07 -1.99 -3.50 114.58 115.12 2pwu h GLU 120 Ca 0.05 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2pwu h GLU 120 Cb 0.08 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2pwu h GLU 120 CO -0.01 0.85 0.00 0.41 -1.40 0.00 0.00 179.01 178.86 2pwu n GLY 121 N -0.63 -0.54 3.19 -3.84 0.00 0.58 -4.55 105.19 99.40 2pwu n GLY 121 Ca 0.03 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2pwu n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pwu s VAL 122 N -4.00 1.99 -0.08 1.61 -7.23 -0.59 0.14 120.40 112.24 2pwu s VAL 122 Ca 0.00 -0.97 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 2pwu s VAL 122 Cb 0.00 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2pwu s VAL 122 CO 0.00 0.54 0.06 0.28 -0.31 0.00 0.00 175.10 175.67 2pwu s THR 123 N 0.47 4.76 0.30 5.32 -1.32 -0.01 -1.92 115.64 123.24 2pwu s THR 123 Ca -0.16 -0.14 -0.17 0.00 -1.21 0.00 0.00 61.69 60.01 2pwu s THR 123 Cb -0.17 -3.06 0.02 0.00 -1.51 0.00 0.00 72.50 67.78 2pwu s THR 123 CO 0.06 0.56 0.67 0.72 -2.21 0.00 0.00 174.62 174.41 2pwu s PHE 124 N -0.99 0.08 -0.12 9.09 -0.71 -1.26 0.18 117.98 124.25 2pwu s PHE 124 Ca 0.16 -0.55 0.02 0.00 -1.04 0.00 0.00 56.93 55.52 2pwu s PHE 124 Cb -0.12 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.26 2pwu s PHE 124 CO 0.05 -1.25 -0.19 -1.59 -1.34 0.00 0.00 175.22 170.90 2pwu s LYS 125 N -3.54 3.19 0.00 1.99 0.00 -1.26 -4.78 119.74 115.35 2pwu s LYS 125 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.33 2pwu s LYS 125 Cb -0.04 -2.46 0.00 0.00 0.00 0.00 0.00 37.83 35.33 2pwu s LYS 125 CO 0.09 0.18 0.35 0.45 0.00 0.00 0.00 175.35 176.42 2pwu n SER 126 N 3.58 0.86 -2.72 0.03 2.88 -1.26 -4.65 113.62 112.34 2pwu n SER 126 Ca -0.19 -1.08 -0.35 0.00 -1.33 0.00 0.00 58.87 55.93 2pwu n SER 126 Cb 0.53 -0.27 0.03 0.00 -0.75 0.00 0.00 64.21 63.75 2pwu n SER 126 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2pwu n MET 134 N 0.38 2.99 -1.67 -1.46 0.00 -1.26 -5.08 117.12 111.02 2pwu n MET 134 Ca 0.00 -3.84 -0.43 0.00 0.00 0.00 0.00 57.70 53.43 2pwu n MET 134 Cb 0.18 -2.27 -0.03 0.00 0.00 0.00 0.00 33.22 31.10 2pwu n MET 134 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2pwu n LEU 135 N -0.55 4.00 -4.45 4.03 7.94 -0.81 -4.81 117.00 122.35 2pwu n LEU 135 Ca 0.49 0.95 -0.22 0.00 -1.11 0.00 0.00 56.01 56.13 2pwu n LEU 135 Cb 0.41 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 42.74 2pwu n LEU 135 CO 0.47 0.15 -0.28 -0.94 -1.11 0.00 0.00 177.39 175.68 2pwu s SER 136 N 3.64 2.45 0.27 1.96 1.04 -1.26 -1.54 113.70 120.25 2pwu s SER 136 Ca 0.87 -1.37 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 2pwu s SER 136 Cb -0.49 -0.10 0.57 0.00 0.10 0.00 0.00 66.02 66.09 2pwu s SER 136 CO 0.41 -0.59 1.73 -0.65 0.98 0.00 0.00 173.24 175.13 2pwu h PRO 137 N 2.11 0.49 -0.52 4.02 0.11 -1.90 0.18 132.00 136.49 2pwu h PRO 137 Ca -0.41 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 2pwu h PRO 137 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2pwu h PRO 137 CO 0.70 0.32 -0.01 0.93 -0.21 0.00 0.00 178.00 179.74 2pwu h GLU 138 N 0.51 0.93 0.01 1.05 3.07 -1.93 -1.33 114.58 116.88 2pwu h GLU 138 Ca 0.48 -0.30 -0.22 0.00 -0.50 0.00 0.00 59.36 58.81 2pwu h GLU 138 Cb 0.77 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2pwu h GLU 138 CO -0.42 0.95 -0.95 -0.09 -1.40 0.00 0.00 179.01 177.10 2pwu h ARG 139 N 0.80 0.37 0.02 2.33 9.65 -1.78 -1.44 114.38 124.33 2pwu h ARG 139 Ca 0.15 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2pwu h ARG 139 Cb 0.54 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 2pwu h ARG 139 CO 0.03 1.09 -0.01 1.03 2.80 0.00 0.00 179.97 184.91 2pwu h SER 140 N 0.20 -0.02 -0.49 -3.80 0.87 -0.49 0.71 113.55 110.53 2pwu h SER 140 Ca -0.08 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2pwu h SER 140 Cb 1.59 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.53 2pwu h SER 140 CO 0.16 0.00 0.22 0.40 -0.53 0.00 0.00 176.83 177.09 2pwu h ILE 141 N -0.04 1.19 -0.34 2.23 1.08 -1.20 -1.03 117.51 119.40 2pwu h ILE 141 Ca -0.00 -0.57 -0.07 0.00 -0.39 0.00 0.00 64.86 63.82 2pwu h ILE 141 Cb 0.03 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2pwu h ILE 141 CO 0.00 0.23 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.54 2pwu h GLU 142 N 0.75 0.65 -0.27 2.37 4.57 -0.75 0.45 114.58 122.36 2pwu h GLU 142 Ca 0.18 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2pwu h GLU 142 Cb 0.13 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2pwu h GLU 142 CO -0.02 0.82 0.16 0.82 -1.18 0.00 0.00 179.01 179.61 2pwu h ILE 143 N 0.44 1.09 -0.48 2.32 2.04 -0.65 0.18 117.51 122.45 2pwu h ILE 143 Ca 0.09 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2pwu h ILE 143 Cb 0.57 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2pwu h ILE 143 CO 0.03 0.09 0.23 1.56 0.00 0.00 0.00 178.15 180.06 2pwu h GLN 144 N 0.34 0.66 -0.17 2.37 4.20 -1.03 0.87 115.11 122.35 2pwu h GLN 144 Ca 0.10 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2pwu h GLN 144 Cb 0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2pwu h GLN 144 CO -0.02 0.52 0.06 1.25 -0.67 0.00 0.00 178.83 179.97 2pwu h HIS 145 N 0.66 0.12 -0.83 2.96 2.76 -0.47 -2.40 115.15 117.95 2pwu h HIS 145 Ca 0.17 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2pwu h HIS 145 Cb 0.08 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 2pwu h HIS 145 CO 0.01 0.06 0.43 -0.07 -1.30 0.00 0.00 177.93 177.05 2pwu h LEU 146 N 0.15 1.06 -1.63 0.26 3.38 0.65 -1.58 115.31 117.59 2pwu h LEU 146 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pwu h LEU 146 Cb 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2pwu h LEU 146 CO -0.07 0.88 0.00 -0.07 0.09 0.00 0.00 178.44 179.27 2pwu h LEU 147 N 1.18 0.00 0.24 1.67 3.38 -0.65 -3.36 115.31 117.77 2pwu h LEU 147 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2pwu h LEU 147 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2pwu h LEU 147 CO -0.04 0.00 -0.06 0.61 0.09 0.00 0.00 178.44 179.03 2pwu n GLY 148 N -0.16 0.31 3.67 0.83 0.00 -0.60 -0.69 105.19 108.54 2pwu n GLY 148 Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 2pwu n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pwu n SER 149 N 1.49 2.47 0.05 1.61 2.88 -1.05 -4.88 113.62 116.18 2pwu n SER 149 Ca -0.03 1.18 -0.21 0.00 -1.33 0.00 0.00 58.87 58.48 2pwu n SER 149 Cb 0.52 -1.42 -0.14 0.00 -0.75 0.00 0.00 64.21 62.41 2pwu n SER 149 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2pwu h ASP 150 N 3.00 0.50 -3.53 -3.46 5.19 -1.32 -3.44 116.42 113.37 2pwu h ASP 150 Ca -0.45 -0.86 -0.67 0.00 -0.62 0.00 0.00 57.03 54.43 2pwu h ASP 150 Cb 1.29 -0.16 -0.36 0.00 0.18 0.00 0.00 39.33 40.28 2pwu h ASP 150 CO 0.67 1.74 -0.82 -0.63 -3.12 0.00 0.00 179.24 177.08 2pwu s ILE 151 N -2.58 2.16 -0.16 0.35 1.01 -0.58 -1.17 121.20 120.23 2pwu s ILE 151 Ca -0.17 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.00 2pwu s ILE 151 Cb 0.06 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2pwu s ILE 151 CO 0.82 0.21 0.32 -0.69 0.00 0.00 0.00 174.94 175.61 2pwu s VAL 152 N 1.19 5.28 -0.01 2.92 1.01 -0.00 -1.58 120.40 129.21 2pwu s VAL 152 Ca -0.03 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 2pwu s VAL 152 Cb -0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2pwu s VAL 152 CO -0.08 0.37 0.37 -0.04 0.00 0.00 0.00 175.10 175.71 2pwu s MET 153 N 0.57 3.83 0.60 2.72 1.00 -1.13 -1.47 119.30 125.41 2pwu s MET 153 Ca 0.18 0.30 -0.19 0.00 0.00 0.00 0.00 55.69 55.99 2pwu s MET 153 Cb -0.13 -3.19 -0.03 0.00 0.00 0.00 0.00 34.83 31.47 2pwu s MET 153 CO 0.05 0.69 1.21 0.00 0.00 0.00 0.00 175.02 176.97 2pwu s ALA 154 N -1.11 2.53 -0.06 3.03 0.00 -0.40 -4.45 121.76 121.30 2pwu s ALA 154 Ca 0.23 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 2pwu s ALA 154 Cb -0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2pwu s ALA 154 CO 0.13 -1.19 0.95 0.12 0.00 0.00 0.00 175.76 175.76 2pwu s PHE 155 N -1.60 3.58 0.33 0.00 2.19 -1.26 -4.69 117.98 116.53 2pwu s PHE 155 Ca 0.78 1.58 0.06 0.00 0.33 0.00 0.00 56.93 59.68 2pwu s PHE 155 Cb -0.31 -3.10 -0.03 0.00 -1.31 0.00 0.00 43.02 38.27 2pwu s PHE 155 CO 0.34 -0.09 0.23 0.16 1.83 0.00 0.00 175.22 177.69 2pwu s ASP 156 N 1.03 1.77 0.11 6.13 -4.77 -1.26 -4.14 116.67 115.53 2pwu s ASP 156 Ca 0.48 -1.71 0.10 0.00 -3.30 0.00 0.00 52.55 48.12 2pwu s ASP 156 Cb -0.19 0.53 -0.04 0.00 -1.09 0.00 0.00 42.92 42.13 2pwu s ASP 156 CO 0.22 -1.01 -0.22 -1.83 0.70 0.00 0.00 175.17 173.03 2pwu s GLU 157 N -3.57 1.68 0.00 2.11 1.03 -1.26 -4.48 118.70 114.20 2pwu s GLU 157 Ca 0.37 -1.21 0.00 0.00 0.03 0.00 0.00 54.97 54.16 2pwu s GLU 157 Cb 0.03 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 31.33 2pwu s GLU 157 CO 0.23 0.48 0.00 0.00 -1.33 0.00 0.00 175.26 174.64 2pwu n THR 164 N 0.00 0.00 0.16 0.00 -2.24 -1.26 -4.97 114.28 105.97 2pwu n THR 164 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2pwu n THR 164 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 2pwu n THR 164 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2pwu h PRO 165 N 0.00 -0.54 -0.92 -0.78 0.11 -1.99 1.52 132.00 129.41 2pwu h PRO 165 Ca 0.00 0.04 0.17 0.00 0.11 0.00 0.00 66.00 66.31 2pwu h PRO 165 Cb 0.00 0.12 -0.10 0.00 0.11 0.00 0.00 31.00 31.13 2pwu h PRO 165 CO 0.00 -0.36 0.50 0.66 -0.21 0.00 0.00 178.00 178.59 2pwu h SER 166 N -0.56 0.62 0.74 -2.05 4.64 -2.03 -0.86 113.55 114.05 2pwu h SER 166 Ca 0.00 0.10 -0.26 0.00 -0.47 0.00 0.00 61.79 61.16 2pwu h SER 166 Cb 0.54 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2pwu h SER 166 CO -0.09 0.23 -1.18 0.03 -0.87 0.00 0.00 176.83 174.95 2pwu h ARG 167 N 0.67 0.19 -0.69 4.77 -0.00 -1.63 -3.18 114.38 114.51 2pwu h ARG 167 Ca 0.52 -0.32 0.02 0.00 -0.50 0.00 0.00 59.98 59.69 2pwu h ARG 167 Cb 0.77 0.12 -0.04 0.00 0.00 0.00 0.00 29.97 30.82 2pwu h ARG 167 CO -0.38 1.15 0.46 0.00 0.00 0.00 0.00 179.97 181.20 2pwu h ALA 168 N 0.71 1.55 -0.00 0.04 0.00 0.35 -1.68 119.26 120.22 2pwu h ALA 168 Ca -0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2pwu h ALA 168 Cb 1.91 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2pwu h ALA 168 CO 0.18 0.40 -0.71 0.00 0.00 0.00 0.00 179.25 179.11 2pwu h ALA 169 N 1.58 0.81 0.02 0.00 0.00 -1.36 0.17 119.26 120.48 2pwu h ALA 169 Ca 0.26 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 2pwu h ALA 169 Cb -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2pwu h ALA 169 CO -0.07 0.87 -0.97 0.66 0.00 0.00 0.00 179.25 179.75 2pwu h SER 170 N 0.02 0.46 0.11 0.00 4.64 -1.41 0.89 113.55 118.26 2pwu h SER 170 Ca -0.01 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 2pwu h SER 170 Cb 1.26 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2pwu h SER 170 CO 0.10 1.20 -0.05 -1.28 -0.87 0.00 0.00 176.83 175.92 2pwu h SER 171 N 0.18 -0.12 -0.98 4.97 0.87 -1.19 -1.79 113.55 115.49 2pwu h SER 171 Ca -0.08 -0.40 0.09 0.00 -1.23 0.00 0.00 61.79 60.17 2pwu h SER 171 Cb 1.61 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.53 2pwu h SER 171 CO 0.16 0.38 0.63 -0.03 -0.53 0.00 0.00 176.83 177.44 2pwu h MET 172 N -0.66 1.01 -0.32 2.24 -1.53 -0.67 -0.75 114.93 114.26 2pwu h MET 172 Ca -0.01 -0.06 -0.16 0.00 -3.44 0.00 0.00 59.70 56.02 2pwu h MET 172 Cb 0.52 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.33 2pwu h MET 172 CO 0.02 0.67 -0.45 0.93 0.14 0.00 0.00 176.91 178.23 2pwu h GLU 173 N 1.05 0.82 -0.22 0.39 5.08 0.84 -0.86 114.58 121.67 2pwu h GLU 173 Ca 0.46 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2pwu h GLU 173 Cb 0.35 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2pwu h GLU 173 CO -0.21 1.09 0.09 -0.09 -1.00 0.00 0.00 179.01 178.90 2pwu h ARG 174 N 0.66 0.33 -0.95 2.33 2.43 -0.99 -1.83 114.38 116.36 2pwu h ARG 174 Ca 0.04 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2pwu h ARG 174 Cb 1.02 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.45 2pwu h ARG 174 CO 0.10 0.37 0.61 0.77 -1.51 0.00 0.00 179.97 180.31 2pwu h SER 175 N 0.21 0.88 0.14 -3.80 0.02 -1.02 0.30 113.55 110.29 2pwu h SER 175 Ca 0.07 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 2pwu h SER 175 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2pwu h SER 175 CO -0.01 0.52 -0.50 0.24 -1.14 0.00 0.00 176.83 175.94 2pwu h MET 176 N 0.98 0.41 -0.94 3.45 2.86 -0.82 0.30 114.93 121.17 2pwu h MET 176 Ca 0.44 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2pwu h MET 176 Cb 0.38 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 2pwu h MET 176 CO -0.20 0.82 0.58 0.00 1.06 0.00 0.00 176.91 179.16 2pwu h ARG 177 N 0.32 1.26 -0.01 1.72 3.08 -0.29 -2.33 114.38 118.14 2pwu h ARG 177 Ca 0.01 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 2pwu h ARG 177 Cb 0.99 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2pwu h ARG 177 CO 0.09 0.87 -0.48 -1.49 -1.07 0.00 0.00 179.97 177.89 2pwu h TRP 178 N 1.29 0.04 -0.39 3.04 6.55 0.54 -1.41 115.95 125.61 2pwu h TRP 178 Ca 0.34 -0.01 -0.09 0.00 0.95 0.00 0.00 58.89 60.07 2pwu h TRP 178 Cb -0.08 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.20 2pwu h TRP 178 CO 0.00 0.51 -0.14 0.00 -1.05 0.00 0.00 178.44 177.76 2pwu h ALA 179 N 1.49 1.03 -0.26 1.49 0.00 -0.02 0.71 119.26 123.71 2pwu h ALA 179 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2pwu h ALA 179 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2pwu h ALA 179 CO 0.06 0.58 -0.03 -0.22 0.00 0.00 0.00 179.25 179.64 2pwu h LYS 180 N 0.63 0.49 -0.68 0.00 1.63 -1.10 0.14 116.57 117.67 2pwu h LYS 180 Ca 0.10 -0.17 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2pwu h LYS 180 Cb 0.60 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.15 2pwu h LYS 180 CO 0.04 0.68 0.42 0.00 -3.45 0.00 0.00 179.45 177.14 2pwu h ARG 181 N 0.25 0.78 -0.14 1.90 3.08 -0.76 -1.76 114.38 117.73 2pwu h ARG 181 Ca 0.07 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2pwu h ARG 181 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2pwu h ARG 181 CO 0.02 0.52 0.02 0.77 -1.07 0.00 0.00 179.97 180.22 2pwu h SER 182 N 0.81 -0.02 -0.36 7.04 0.02 0.74 -0.99 113.55 120.80 2pwu h SER 182 Ca 0.28 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.33 2pwu h SER 182 Cb 0.06 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.55 2pwu h SER 182 CO -0.12 0.01 -0.33 -0.09 -1.14 0.00 0.00 176.83 175.16 2pwu h ARG 183 N 0.07 -0.26 -0.38 3.45 9.65 -0.46 -1.43 114.38 125.02 2pwu h ARG 183 Ca 0.06 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 2pwu h ARG 183 Cb 0.07 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2pwu h ARG 183 CO -0.10 -0.18 -0.31 -0.44 2.80 0.00 0.00 179.97 181.75 2pwu h ASP 184 N -0.27 0.86 -0.89 -3.80 3.32 -1.02 -0.70 116.42 113.90 2pwu h ASP 184 Ca 0.16 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.87 2pwu h ASP 184 Cb 0.54 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 2pwu h ASP 184 CO -0.51 1.09 0.59 0.00 -1.72 0.00 0.00 179.24 178.69 2pwu h ALA 185 N 0.96 1.14 -0.21 3.45 0.00 -0.90 -0.10 119.26 123.60 2pwu h ALA 185 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2pwu h ALA 185 Cb 0.85 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pwu h ALA 185 CO 0.07 0.51 0.01 0.35 0.00 0.00 0.00 179.25 180.19 2pwu h PHE 186 N 1.19 0.40 0.00 0.00 3.04 -0.97 -2.95 116.94 117.65 2pwu h PHE 186 Ca 0.33 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 62.19 2pwu h PHE 186 Cb -0.11 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 2pwu h PHE 186 CO -0.01 0.54 -0.12 -0.44 -2.02 0.00 0.00 178.31 176.26 2pwu h ASP 187 N 0.13 0.00 1.04 0.41 3.32 -0.72 -1.29 116.42 119.31 2pwu h ASP 187 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2pwu h ASP 187 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2pwu h ASP 187 CO 0.01 0.12 0.00 -1.20 -1.72 0.00 0.00 179.24 176.45 2pwu n SER 188 N -3.48 0.40 -4.22 6.45 7.64 -0.08 -4.44 113.62 115.88 2pwu n SER 188 Ca -0.01 0.56 -0.40 0.00 1.01 0.00 0.00 58.87 60.02 2pwu n SER 188 Cb 0.27 -0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 2pwu n SER 188 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2pwu s ARG 189 N -3.09 2.48 0.16 1.43 0.52 -0.49 -4.96 118.95 115.00 2pwu s ARG 189 Ca 0.10 -1.69 -0.15 0.00 -0.52 0.00 0.00 55.73 53.47 2pwu s ARG 189 Cb 0.14 -3.87 0.07 0.00 0.52 0.00 0.00 34.95 31.81 2pwu s ARG 189 CO 0.49 -1.13 1.80 1.57 0.02 0.00 0.00 175.30 178.05 2pwu h LYS 190 N 8.41 0.49 -0.55 3.54 -0.00 -1.81 -0.58 116.57 126.08 2pwu h LYS 190 Ca -0.21 -0.03 0.15 0.00 -0.00 0.00 0.00 60.65 60.56 2pwu h LYS 190 Cb 1.07 -0.11 -0.02 0.00 -0.00 0.00 0.00 32.23 33.17 2pwu h LYS 190 CO 0.82 0.33 0.39 1.05 -0.00 0.00 0.00 179.45 182.04 2pwu h GLU 191 N 0.51 0.04 0.00 0.07 -0.00 -1.93 -1.16 114.58 112.11 2pwu h GLU 191 Ca 0.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.54 2pwu h GLU 191 Cb 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.77 2pwu h GLU 191 CO -0.09 0.02 -0.00 0.37 -0.00 0.00 0.00 179.01 179.31 2pwu h GLN 192 N 0.04 -0.00 -0.97 1.06 4.15 -1.53 -3.22 115.11 114.64 2pwu h GLN 192 Ca 0.26 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.83 2pwu h GLN 192 Cb 0.99 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.59 2pwu h GLN 192 CO -0.01 0.88 0.58 0.00 -1.93 0.00 0.00 178.83 178.34 2pwu h ALA 193 N -0.05 1.52 0.00 3.38 0.00 -0.52 0.36 119.26 123.95 2pwu h ALA 193 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pwu h ALA 193 Cb 0.88 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pwu h ALA 193 CO 0.00 0.05 -0.66 0.93 0.00 0.00 0.00 179.25 179.57 2pwu h GLU 194 N 0.82 0.00 0.00 0.00 5.08 -1.37 -3.39 114.58 115.73 2pwu h GLU 194 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2pwu h GLU 194 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2pwu h GLU 194 CO -0.33 0.02 -0.53 0.09 -1.00 0.00 0.00 179.01 177.26 2pwu n ASN 195 N -2.85 2.52 -4.80 1.42 3.02 -1.02 -4.73 115.26 108.83 2pwu n ASN 195 Ca 0.01 -0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.02 2pwu n ASN 195 Cb 0.56 1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 40.68 2pwu n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pwu s ALA 196 N -1.54 4.08 0.12 5.41 0.00 0.12 -4.78 121.76 125.17 2pwu s ALA 196 Ca -0.00 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.99 2pwu s ALA 196 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2pwu s ALA 196 CO 0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 175.76 175.42 2pwu s ALA 197 N -2.79 1.69 -0.09 0.00 0.00 -0.32 -4.73 121.76 115.51 2pwu s ALA 197 Ca 0.22 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2pwu s ALA 197 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2pwu s ALA 197 CO 0.13 0.23 -0.18 -1.17 0.00 0.00 0.00 175.76 174.76 2pwu s LEU 198 N -2.24 1.87 -0.08 0.00 0.20 -1.26 -0.82 118.68 116.34 2pwu s LEU 198 Ca 0.08 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.46 2pwu s LEU 198 Cb -0.07 -1.15 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 2pwu s LEU 198 CO 0.04 0.09 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.78 2pwu s PHE 199 N 0.59 3.00 0.19 5.38 0.40 -0.54 -0.82 117.98 126.18 2pwu s PHE 199 Ca -0.15 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 2pwu s PHE 199 Cb -0.17 -1.76 -0.07 0.00 0.51 0.00 0.00 43.02 41.53 2pwu s PHE 199 CO 0.05 0.31 0.57 0.20 0.70 0.00 0.00 175.22 177.05 2pwu s GLY 200 N -0.68 2.38 -0.16 4.36 0.00 -0.31 -1.27 107.32 111.65 2pwu s GLY 200 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.67 2pwu s GLY 200 CO 0.02 0.06 -0.19 -0.42 0.00 0.00 0.00 173.10 172.56 2pwu s ILE 201 N -1.64 2.22 0.04 0.90 1.01 -1.26 0.08 121.20 122.54 2pwu s ILE 201 Ca 0.43 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2pwu s ILE 201 Cb -0.13 -1.92 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 2pwu s ILE 201 CO 0.20 0.54 0.72 -1.58 0.00 0.00 0.00 174.94 174.81 2pwu s GLN 202 N 0.98 4.45 0.00 2.79 0.74 0.02 -4.86 119.66 123.78 2pwu s GLN 202 Ca -0.03 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.36 2pwu s GLN 202 Cb -0.15 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.61 2pwu s GLN 202 CO -0.05 0.32 0.00 1.04 -0.55 0.00 0.00 175.29 176.05 2pwu n GLN 203 N 2.73 2.41 0.00 1.67 1.13 -1.26 -0.03 117.38 124.03 2pwu n GLN 203 Ca -0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2pwu n GLN 203 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 2pwu n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pwu n GLY 204 N 3.48 1.05 7.00 1.08 0.00 -1.26 -4.18 105.19 112.36 2pwu n GLY 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pwu n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pwu n SER 205 N 0.00 0.00 -1.37 1.61 2.88 -1.26 -2.14 113.62 113.34 2pwu n SER 205 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2pwu n SER 205 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2pwu n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2pwu n VAL 206 N 0.00 1.68 -3.63 2.46 0.24 -1.26 -4.89 118.33 112.94 2pwu n VAL 206 Ca 0.00 -0.92 -0.37 0.00 -2.04 0.00 0.00 64.34 61.01 2pwu n VAL 206 Cb 0.00 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.06 2pwu n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2pwu s PHE 207 N -2.05 3.30 0.38 6.34 0.08 -0.91 -4.95 117.98 120.16 2pwu s PHE 207 Ca 0.37 0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.71 2pwu s PHE 207 Cb 0.27 -2.31 0.77 0.00 -0.57 0.00 0.00 43.02 41.17 2pwu s PHE 207 CO 0.13 0.01 2.00 1.49 -0.10 0.00 0.00 175.22 178.75 2pwu h GLU 208 N 7.69 0.68 -0.07 0.44 4.81 -1.90 -0.49 114.58 125.74 2pwu h GLU 208 Ca -0.37 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2pwu h GLU 208 Cb 1.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2pwu h GLU 208 CO 0.64 0.45 -0.02 -2.95 -0.73 0.00 0.00 179.01 176.40 2pwu h ASN 209 N 0.70 0.14 -0.46 1.04 -1.07 -1.94 -0.82 115.58 113.17 2pwu h ASN 209 Ca 0.25 -0.39 -0.04 0.00 0.07 0.00 0.00 56.30 56.19 2pwu h ASN 209 Cb 0.11 -0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 36.30 2pwu h ASN 209 CO -0.07 0.50 0.13 -0.07 0.07 0.00 0.00 177.43 177.99 2pwu h LEU 210 N -0.22 0.68 -0.81 6.14 4.07 -1.79 -1.62 115.31 121.77 2pwu h LEU 210 Ca 0.02 -0.22 0.13 0.00 0.08 0.00 0.00 57.88 57.89 2pwu h LEU 210 Cb 0.44 -0.18 -0.09 0.00 1.08 0.00 0.00 40.66 41.91 2pwu h LEU 210 CO 0.01 0.72 0.41 0.03 -1.08 0.00 0.00 178.44 178.53 2pwu h ARG 211 N 0.62 0.60 -0.02 1.13 2.47 -1.06 0.12 114.38 118.23 2pwu h ARG 211 Ca 0.15 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2pwu h ARG 211 Cb 0.29 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2pwu h ARG 211 CO -0.00 0.39 0.01 0.37 0.56 0.00 0.00 179.97 181.30 2pwu h GLN 212 N 0.61 0.03 -0.36 0.04 5.75 -0.73 -1.42 115.11 119.04 2pwu h GLN 212 Ca 0.43 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.00 2pwu h GLN 212 Cb 0.57 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.03 2pwu h GLN 212 CO -0.34 0.17 -0.21 0.37 -2.65 0.00 0.00 178.83 176.16 2pwu h GLN 213 N -0.11 -0.15 -0.54 1.69 4.15 -0.67 0.37 115.11 119.85 2pwu h GLN 213 Ca 0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2pwu h GLN 213 Cb 0.14 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2pwu h GLN 213 CO -0.00 -0.10 0.26 1.03 -1.93 0.00 0.00 178.83 178.09 2pwu h SER 214 N -0.16 0.70 -0.65 -0.69 0.87 -0.66 0.44 113.55 113.40 2pwu h SER 214 Ca 0.18 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2pwu h SER 214 Cb 0.44 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2pwu h SER 214 CO -0.46 0.62 0.34 0.00 -0.53 0.00 0.00 176.83 176.81 2pwu h ALA 215 N 1.10 0.84 -0.56 6.23 0.00 -0.79 0.69 119.26 126.77 2pwu h ALA 215 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2pwu h ALA 215 Cb 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2pwu h ALA 215 CO -0.02 0.38 0.33 -0.44 0.00 0.00 0.00 179.25 179.49 2pwu h ASP 216 N 0.90 0.51 -0.40 0.00 3.45 -0.37 0.33 116.42 120.84 2pwu h ASP 216 Ca 0.23 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 2pwu h ASP 216 Cb 0.08 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 2pwu h ASP 216 CO -0.03 0.36 -0.03 0.00 -1.57 0.00 0.00 179.24 177.97 2pwu h ALA 217 N 1.26 0.55 -0.44 3.45 0.00 -0.51 -1.45 119.26 122.13 2pwu h ALA 217 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pwu h ALA 217 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2pwu h ALA 217 CO -0.12 0.35 0.29 -0.07 0.00 0.00 0.00 179.25 179.70 2pwu h LEU 218 N 0.56 0.50 -0.96 0.00 4.07 -0.52 -1.87 115.31 117.08 2pwu h LEU 218 Ca 0.11 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 2pwu h LEU 218 Cb 0.52 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 2pwu h LEU 218 CO 0.03 0.37 -0.05 0.00 -1.08 0.00 0.00 178.44 177.70 2pwu h ALA 219 N 1.16 1.14 0.00 1.53 0.00 -0.24 -0.01 119.26 122.84 2pwu h ALA 219 Ca 0.16 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2pwu h ALA 219 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pwu h ALA 219 CO -0.03 0.55 -0.47 1.05 0.00 0.00 0.00 179.25 180.34 2pwu h GLU 220 N 0.64 0.00 -0.01 0.00 4.11 -0.97 -2.72 114.58 115.63 2pwu h GLU 220 Ca 0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.29 2pwu h GLU 220 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 2pwu h GLU 220 CO 0.02 0.47 -1.01 0.82 0.07 0.00 0.00 179.01 179.39 2pwu h ILE 221 N 0.00 1.28 -0.43 -1.06 2.04 -0.66 -3.50 117.51 115.17 2pwu h ILE 221 Ca -0.00 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2pwu h ILE 221 Cb 0.84 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2pwu h ILE 221 CO 0.06 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.51 2pwu n GLY 222 N 1.05 -1.95 3.16 5.37 0.00 -0.08 -5.12 105.19 107.63 2pwu n GLY 222 Ca -0.11 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2pwu n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pwu s PHE 223 N -0.25 0.90 0.06 1.61 0.08 -1.26 -5.03 117.98 114.10 2pwu s PHE 223 Ca 0.00 -1.14 0.15 0.00 0.12 0.00 0.00 56.93 56.06 2pwu s PHE 223 Cb 0.00 -0.52 0.31 0.00 -0.57 0.00 0.00 43.02 42.24 2pwu s PHE 223 CO 0.00 -0.40 1.56 -0.44 -0.10 0.00 0.00 175.22 175.84 2pwu h ASP 224 N 2.87 0.00 -5.10 1.36 3.32 -1.38 -3.47 116.42 114.03 2pwu h ASP 224 Ca -0.35 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 2pwu h ASP 224 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 2pwu h ASP 224 CO 0.61 0.54 -0.13 -0.83 -1.72 0.00 0.00 179.24 177.71 2pwu s GLY 225 N -4.45 -0.18 -0.12 2.75 0.00 -1.22 -4.27 107.32 99.83 2pwu s GLY 225 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.55 2pwu s GLY 225 CO 0.73 -0.42 -0.09 -0.19 0.00 0.00 0.00 173.10 173.14 2pwu s TYR 226 N -3.82 1.61 0.28 1.90 1.51 -0.49 -1.16 117.35 117.17 2pwu s TYR 226 Ca 0.04 -0.84 -0.06 0.00 -1.01 0.00 0.00 57.07 55.19 2pwu s TYR 226 Cb 0.02 -1.30 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 2pwu s TYR 226 CO -0.11 -0.55 0.56 0.00 -1.11 0.00 0.00 175.55 174.34 2pwu s ALA 227 N 1.67 3.59 -0.48 3.71 0.00 0.11 -0.92 121.76 129.43 2pwu s ALA 227 Ca 0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2pwu s ALA 227 Cb -0.13 -2.36 0.10 0.00 0.00 0.00 0.00 23.12 20.73 2pwu s ALA 227 CO -0.09 0.30 0.39 0.08 0.00 0.00 0.00 175.76 176.45 2pwu s VAL 228 N -2.03 4.84 0.54 0.00 1.01 0.14 -0.80 120.40 124.10 2pwu s VAL 228 Ca 0.45 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2pwu s VAL 228 Cb -0.11 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2pwu s VAL 228 CO 0.28 -0.69 0.77 -0.83 0.00 0.00 0.00 175.10 174.63 2pwu s GLY 229 N 2.83 1.74 -0.02 4.51 0.00 0.96 -3.38 107.32 113.96 2pwu s GLY 229 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2pwu s GLY 229 CO 0.03 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.81 2pwu n GLY 230 N -2.33 0.47 0.20 0.20 0.00 -1.26 -4.49 105.19 97.96 2pwu n GLY 230 Ca 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.75 2pwu n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pwu n LEU 231 N -0.02 1.78 -3.99 0.99 4.77 -1.26 -4.67 117.00 114.59 2pwu n LEU 231 Ca -0.00 -1.43 -0.43 0.00 -0.03 0.00 0.00 56.01 54.12 2pwu n LEU 231 Cb 0.01 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2pwu n LEU 231 CO 0.00 0.42 1.26 0.00 -1.33 0.00 0.00 177.39 177.74 2pwu n ALA 232 N 0.08 5.20 -0.18 -1.18 0.00 -1.26 -4.64 120.51 118.53 2pwu n ALA 232 Ca 0.03 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.74 2pwu n ALA 232 Cb 0.19 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.19 2pwu n ALA 232 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2pwu n VAL 233 N 1.65 0.00 0.00 0.00 3.14 -1.26 -5.03 118.33 116.83 2pwu n VAL 233 Ca 0.28 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 2pwu n VAL 233 Cb 0.34 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 2pwu n VAL 233 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pwu n GLY 234 N 0.10 0.79 0.28 7.55 0.00 -1.26 -4.99 105.19 107.66 2pwu n GLY 234 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2pwu n GLY 234 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2pwu h GLU 235 N 3.44 0.00 0.00 1.61 9.09 -1.96 -3.49 114.58 123.27 2pwu h GLU 235 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pwu h GLU 235 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2pwu h GLU 235 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 2pwu n GLY 236 N -0.24 -0.47 0.07 1.06 0.00 -1.26 -4.51 105.19 99.84 2pwu n GLY 236 Ca -0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 2pwu n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2pwu h GLN 237 N 0.00 0.12 -0.54 1.61 4.15 -1.97 0.56 115.11 119.04 2pwu h GLN 237 Ca 0.00 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.51 2pwu h GLN 237 Cb 0.00 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.58 2pwu h GLN 237 CO 0.00 0.20 -0.02 -0.44 -1.93 0.00 0.00 178.83 176.63 2pwu h ASP 238 N 0.01 -0.28 0.09 -0.69 3.32 -1.99 0.36 116.42 117.23 2pwu h ASP 238 Ca 0.03 0.14 -0.21 0.00 0.02 0.00 0.00 57.03 57.00 2pwu h ASP 238 Cb 0.12 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2pwu h ASP 238 CO -0.00 -0.10 -0.80 -0.08 -1.72 0.00 0.00 179.24 176.54 2pwu h GLU 239 N 0.09 0.58 -0.40 3.56 4.57 -1.76 -2.03 114.58 119.20 2pwu h GLU 239 Ca 0.27 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2pwu h GLU 239 Cb 0.42 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2pwu h GLU 239 CO -0.47 1.12 0.25 1.98 -1.18 0.00 0.00 179.01 180.71 2pwu h MET 240 N 0.38 0.54 -0.71 1.92 4.05 -0.38 -1.45 114.93 119.29 2pwu h MET 240 Ca -0.05 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 2pwu h MET 240 Cb 1.40 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 2pwu h MET 240 CO 0.15 0.38 0.34 0.74 0.23 0.00 0.00 176.91 178.75 2pwu h PHE 241 N 0.53 1.00 -0.82 1.39 0.04 -0.28 0.13 116.94 118.93 2pwu h PHE 241 Ca 0.14 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2pwu h PHE 241 Cb -0.02 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 37.78 2pwu h PHE 241 CO -0.04 0.73 0.40 0.00 -0.60 0.00 0.00 178.31 178.81 2pwu h ARG 242 N 1.00 1.18 -0.33 1.51 -0.00 -0.98 0.25 114.38 117.02 2pwu h ARG 242 Ca 0.25 -0.17 -0.13 0.00 -0.50 0.00 0.00 59.98 59.43 2pwu h ARG 242 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 29.97 29.85 2pwu h ARG 242 CO -0.03 0.90 -0.29 0.28 0.00 0.00 0.00 179.97 180.83 2pwu h VAL 243 N 1.16 1.29 -0.55 2.04 2.07 -0.72 -2.86 116.25 118.69 2pwu h VAL 243 Ca 0.28 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2pwu h VAL 243 Cb 0.10 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2pwu h VAL 243 CO -0.04 0.47 0.26 -0.07 0.02 0.00 0.00 177.57 178.21 2pwu h LEU 244 N 0.54 0.69 -0.90 2.57 3.38 -0.31 -1.23 115.31 120.04 2pwu h LEU 244 Ca 0.06 -0.07 0.24 0.00 0.09 0.00 0.00 57.88 58.20 2pwu h LEU 244 Cb 0.86 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 2pwu h LEU 244 CO 0.07 0.59 0.36 0.44 0.09 0.00 0.00 178.44 179.99 2pwu h ASP 245 N 0.77 0.23 0.00 -0.43 3.32 -0.26 -2.45 116.42 117.59 2pwu h ASP 245 Ca 0.19 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2pwu h ASP 245 Cb 0.09 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2pwu h ASP 245 CO -0.02 -0.07 -1.70 2.22 -1.72 0.00 0.00 179.24 177.95 2pwu n PHE 246 N -5.11 0.00 -0.05 4.55 1.16 -1.05 -4.65 117.46 112.30 2pwu n PHE 246 Ca 0.23 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.68 2pwu n PHE 246 Cb 0.70 -0.36 -0.12 0.00 -1.61 0.00 0.00 39.48 38.10 2pwu n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2pwu h SER 247 N 0.00 -0.01 -0.84 5.98 0.02 -0.79 -3.31 113.55 114.61 2pwu h SER 247 Ca 0.00 -0.80 -0.03 0.00 -0.84 0.00 0.00 61.79 60.12 2pwu h SER 247 Cb 0.81 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 2pwu h SER 247 CO 0.00 0.81 0.39 0.58 -1.14 0.00 0.00 176.83 177.48 2pwu h VAL 248 N -0.84 1.26 0.00 2.27 2.07 -1.70 -0.61 116.25 118.71 2pwu h VAL 248 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2pwu h VAL 248 Cb 0.81 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2pwu h VAL 248 CO 0.00 0.32 0.00 -0.65 0.02 0.00 0.00 177.57 177.26 2pwu h PRO 249 N 1.20 0.00 0.00 1.57 0.11 -1.81 -0.96 132.00 132.11 2pwu h PRO 249 Ca 0.29 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 2pwu h PRO 249 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2pwu h PRO 249 CO -0.03 0.00 -0.31 0.52 -0.21 0.00 0.00 178.00 177.97 2pwu h MET 250 N 0.00 0.00 -6.98 1.05 2.86 -1.19 -3.46 114.93 107.21 2pwu h MET 250 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 2pwu h MET 250 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2pwu h MET 250 CO 0.00 0.31 0.26 -0.51 1.06 0.00 0.00 176.91 178.02 2pwu s LEU 251 N -6.99 3.86 -0.12 1.22 1.43 -0.37 -4.83 118.68 112.89 2pwu s LEU 251 Ca 0.00 1.47 -0.37 0.00 -1.03 0.00 0.00 54.13 54.19 2pwu s LEU 251 Cb 0.11 -4.34 -0.15 0.00 0.03 0.00 0.00 46.19 41.84 2pwu s LEU 251 CO 0.66 -0.40 1.68 -2.65 0.23 0.00 0.00 176.35 175.88 2pwu n PRO 252 N -0.96 1.50 -0.35 1.29 -0.02 -1.26 -4.85 135.00 130.35 2pwu n PRO 252 Ca 0.05 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 2pwu n PRO 252 Cb 0.54 -2.27 0.13 0.00 -0.02 0.00 0.00 33.50 31.88 2pwu n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2pwu h ASP 253 N 7.06 1.11 -0.01 2.55 1.82 -1.91 -2.97 116.42 124.06 2pwu h ASP 253 Ca -0.47 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2pwu h ASP 253 Cb 1.30 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2pwu h ASP 253 CO 0.91 0.80 0.00 -0.90 -1.61 0.00 0.00 179.24 178.45 2pwu n ASP 254 N -4.39 0.07 -4.44 2.28 3.85 -1.26 -4.78 116.55 107.88 2pwu n ASP 254 Ca 0.11 -1.69 -0.24 0.00 -0.71 0.00 0.00 54.79 52.26 2pwu n ASP 254 Cb 0.02 -0.01 -0.10 0.00 -1.35 0.00 0.00 41.12 39.68 2pwu n ASP 254 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2pwu s LYS 255 N -1.99 1.60 0.50 0.11 -0.14 -1.12 -4.95 119.74 113.75 2pwu s LYS 255 Ca 0.16 -1.69 -0.21 0.00 -1.36 0.00 0.00 55.97 52.86 2pwu s LYS 255 Cb 0.07 -1.71 -0.06 0.00 -1.68 0.00 0.00 37.83 34.45 2pwu s LYS 255 CO 0.12 0.33 1.18 -2.14 -0.76 0.00 0.00 175.35 174.08 2pwu s PRO 256 N -3.33 3.51 -0.21 -1.68 0.02 -1.26 -4.85 135.00 127.19 2pwu s PRO 256 Ca 0.27 1.79 -0.01 0.00 0.02 0.00 0.00 61.00 63.06 2pwu s PRO 256 Cb -0.05 -2.24 0.01 0.00 0.02 0.00 0.00 34.50 32.24 2pwu s PRO 256 CO 0.13 -0.76 -0.11 -1.01 -0.33 0.00 0.00 177.00 174.92 2pwu s HIS 257 N -1.58 2.91 -0.20 6.54 3.76 -1.26 -1.40 115.29 124.06 2pwu s HIS 257 Ca 0.68 -1.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.21 2pwu s HIS 257 Cb -0.29 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2pwu s HIS 257 CO 0.34 -0.69 -0.11 -0.47 -0.85 0.00 0.00 174.74 172.95 2pwu s TYR 258 N 1.37 2.88 -0.47 1.40 5.04 -0.10 0.10 117.35 127.57 2pwu s TYR 258 Ca 0.04 -1.26 -0.19 0.00 -2.44 0.00 0.00 57.07 53.21 2pwu s TYR 258 Cb -0.14 -2.02 0.04 0.00 0.35 0.00 0.00 41.96 40.18 2pwu s TYR 258 CO -0.07 -0.67 0.60 -1.17 -1.34 0.00 0.00 175.55 172.90 2pwu s LEU 259 N 1.39 4.79 0.07 6.97 2.96 -0.63 0.24 118.68 134.47 2pwu s LEU 259 Ca 0.05 -0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 52.98 2pwu s LEU 259 Cb -0.14 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.97 2pwu s LEU 259 CO -0.08 -0.80 1.22 -0.04 -1.32 0.00 0.00 176.35 175.33 2pwu s MET 260 N 2.61 4.42 -0.19 1.98 -1.94 -1.22 -3.80 119.30 121.16 2pwu s MET 260 Ca 0.17 1.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.95 2pwu s MET 260 Cb -0.17 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.33 2pwu s MET 260 CO 0.15 -0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.30 2pwu n GLY 261 N 3.22 0.54 3.34 -0.03 0.00 -1.03 -4.36 105.19 106.88 2pwu n GLY 261 Ca 0.09 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2pwu n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pwu s VAL 262 N -1.99 2.33 -0.68 1.61 1.01 -0.41 -4.76 120.40 117.51 2pwu s VAL 262 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2pwu s VAL 262 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2pwu s VAL 262 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2pwu n GLY 263 N 2.54 -0.78 3.76 4.51 0.00 -1.26 -3.39 105.19 110.58 2pwu n GLY 263 Ca -0.17 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2pwu n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwu s LYS 264 N -0.28 2.33 0.26 1.61 1.02 -1.26 -4.79 119.74 118.64 2pwu s LYS 264 Ca 0.00 1.24 -0.01 0.00 0.02 0.00 0.00 55.97 57.22 2pwu s LYS 264 Cb 0.00 -1.90 0.56 0.00 -0.52 0.00 0.00 37.83 35.97 2pwu s LYS 264 CO 0.00 -1.60 1.73 -1.35 -0.92 0.00 0.00 175.35 173.22 2pwu h PRO 265 N -0.88 0.49 0.00 -1.68 0.11 -2.00 -0.26 132.00 127.78 2pwu h PRO 265 Ca -0.44 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2pwu h PRO 265 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2pwu h PRO 265 CO 0.52 0.33 -0.45 0.38 -0.21 0.00 0.00 178.00 178.57 2pwu h ASP 266 N 0.51 0.00 -0.63 -2.05 -0.00 -2.00 -1.83 116.42 110.42 2pwu h ASP 266 Ca 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 57.46 2pwu h ASP 266 Cb 0.75 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.05 2pwu h ASP 266 CO -0.42 0.45 0.23 0.44 -0.00 0.00 0.00 179.24 179.93 2pwu h ASP 267 N 0.00 0.89 0.07 4.15 3.45 -1.43 -2.38 116.42 121.17 2pwu h ASP 267 Ca -0.00 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 2pwu h ASP 267 Cb 0.89 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 2pwu h ASP 267 CO 0.06 0.84 -0.04 0.40 -1.57 0.00 0.00 179.24 178.93 2pwu h ILE 268 N 0.89 1.06 -0.25 0.35 2.04 -0.82 -0.02 117.51 120.76 2pwu h ILE 268 Ca 0.21 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2pwu h ILE 268 Cb 0.25 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2pwu h ILE 268 CO -0.01 0.11 -0.01 0.58 0.00 0.00 0.00 178.15 178.82 2pwu h VAL 269 N -0.30 0.81 -0.26 1.67 2.07 -1.34 0.26 116.25 119.15 2pwu h VAL 269 Ca -0.01 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2pwu h VAL 269 Cb 0.26 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2pwu h VAL 269 CO 0.02 0.01 -0.05 1.23 0.02 0.00 0.00 177.57 178.80 2pwu h GLY 270 N 0.06 0.43 1.17 2.17 0.00 -1.33 -1.65 103.07 103.93 2pwu h GLY 270 Ca 0.12 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 2pwu h GLY 270 CO -0.21 0.24 -0.66 0.00 0.00 0.00 0.00 176.54 175.91 2pwu h ALA 271 N 1.57 0.39 -0.78 3.60 0.00 -0.43 -2.73 119.26 120.89 2pwu h ALA 271 Ca 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2pwu h ALA 271 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2pwu h ALA 271 CO 0.01 0.68 0.38 0.28 0.00 0.00 0.00 179.25 180.60 2pwu h VAL 272 N 0.61 1.24 0.00 0.00 2.07 -0.58 -0.28 116.25 119.32 2pwu h VAL 272 Ca -0.02 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2pwu h VAL 272 Cb 1.28 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2pwu h VAL 272 CO 0.14 0.29 -0.01 -0.33 0.02 0.00 0.00 177.57 177.68 2pwu h GLU 273 N 1.10 0.00 -0.55 1.57 5.08 -1.13 -1.31 114.58 119.35 2pwu h GLU 273 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pwu h GLU 273 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2pwu h GLU 273 CO -0.04 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 2pwu n ARG 274 N -3.42 3.43 0.00 2.33 1.74 -0.16 -4.20 116.66 116.38 2pwu n ARG 274 Ca -0.03 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 2pwu n ARG 274 Cb 0.09 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 2pwu n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwu n GLY 275 N 0.81 1.06 3.78 -0.13 0.00 -0.49 -4.77 105.19 105.44 2pwu n GLY 275 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2pwu n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwu s ILE 276 N -2.00 4.80 -0.29 -0.61 -1.09 -0.93 -4.68 121.20 116.41 2pwu s ILE 276 Ca 0.00 1.29 0.14 0.00 -2.23 0.00 0.00 60.65 59.85 2pwu s ILE 276 Cb 0.00 -3.95 -0.19 0.00 -1.58 0.00 0.00 42.46 36.74 2pwu s ILE 276 CO 0.00 0.47 0.43 0.47 -1.23 0.00 0.00 174.94 175.08 2pwu n ASP 277 N 2.30 1.26 -3.90 3.58 8.00 0.11 -4.37 116.55 123.53 2pwu n ASP 277 Ca -0.08 -0.35 -0.11 0.00 0.71 0.00 0.00 54.79 54.97 2pwu n ASP 277 Cb 0.51 1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 42.88 2pwu n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2pwu s MET 278 N -2.72 0.33 -0.03 -1.24 -1.94 -0.87 -1.04 119.30 111.80 2pwu s MET 278 Ca -0.01 -0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 53.54 2pwu s MET 278 Cb 0.10 0.13 0.01 0.00 2.01 0.00 0.00 34.83 37.08 2pwu s MET 278 CO 0.59 -0.07 0.19 -0.06 -0.01 0.00 0.00 175.02 175.66 2pwu s PHE 279 N -1.07 -0.09 0.03 -0.03 0.40 -0.48 -1.61 117.98 115.14 2pwu s PHE 279 Ca -0.12 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 2pwu s PHE 279 Cb -0.07 0.02 -0.02 0.00 0.51 0.00 0.00 43.02 43.46 2pwu s PHE 279 CO 0.00 -0.24 -0.04 0.16 0.70 0.00 0.00 175.22 175.80 2pwu s ASP 280 N -0.85 0.43 -0.28 1.36 -4.77 -1.22 -0.43 116.67 110.91 2pwu s ASP 280 Ca -0.09 -0.53 -0.25 0.00 -3.30 0.00 0.00 52.55 48.38 2pwu s ASP 280 Cb -0.05 0.08 0.10 0.00 -1.09 0.00 0.00 42.92 41.96 2pwu s ASP 280 CO 0.02 -0.28 0.87 0.00 0.70 0.00 0.00 175.17 176.48 2pwu n VAL 282 N 2.52 0.00 -0.00 0.00 0.24 -1.26 -4.34 118.33 115.48 2pwu n VAL 282 Ca -0.13 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 2pwu n VAL 282 Cb 0.56 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.46 2pwu n VAL 282 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2pwu h LEU 283 N 0.11 -0.87 -1.34 1.34 6.46 -1.95 0.26 115.31 119.31 2pwu h LEU 283 Ca 0.00 0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2pwu h LEU 283 Cb 0.23 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2pwu h LEU 283 CO 0.00 -0.33 -0.09 1.55 -0.62 0.00 0.00 178.44 178.96 2pwu h PRO 284 N -0.35 0.33 0.00 5.25 0.13 -1.92 0.48 132.00 135.92 2pwu h PRO 284 Ca 0.10 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2pwu h PRO 284 Cb 0.50 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 2pwu h PRO 284 CO -0.34 0.43 -0.12 1.79 -0.23 0.00 0.00 178.00 179.54 2pwu h THR 285 N 0.32 0.48 -0.43 1.56 1.35 -1.76 -2.76 112.91 111.66 2pwu h THR 285 Ca 0.07 -1.38 0.05 0.00 -0.55 0.00 0.00 66.41 64.59 2pwu h THR 285 Cb 0.36 0.93 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 2pwu h THR 285 CO 0.02 0.16 0.17 -0.09 -0.25 0.00 0.00 175.52 175.53 2pwu h ARG 286 N -1.00 0.34 -0.76 4.72 2.43 -0.52 -1.73 114.38 117.86 2pwu h ARG 286 Ca -0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2pwu h ARG 286 Cb 0.36 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 2pwu h ARG 286 CO -0.01 0.22 0.39 0.77 -1.51 0.00 0.00 179.97 179.84 2pwu h SER 287 N 0.35 0.97 -0.34 -3.80 0.02 -1.05 -2.33 113.55 107.36 2pwu h SER 287 Ca 0.20 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2pwu h SER 287 Cb 0.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2pwu h SER 287 CO -0.19 0.81 0.23 1.23 -1.14 0.00 0.00 176.83 177.76 2pwu h GLY 288 N 1.06 0.48 1.95 -3.77 0.00 -1.04 -0.04 103.07 101.71 2pwu h GLY 288 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.42 2pwu h GLY 288 CO -0.04 0.18 0.02 3.21 0.00 0.00 0.00 176.54 179.91 2pwu h ARG 289 N 0.46 0.00 -0.02 4.80 3.08 -1.04 -1.61 114.38 120.04 2pwu h ARG 289 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2pwu h ARG 289 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2pwu h ARG 289 CO -0.03 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.96 2pwu n ASN 290 N -4.21 1.47 0.00 7.04 3.02 -0.26 -4.90 115.26 117.43 2pwu n ASN 290 Ca -0.02 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 2pwu n ASN 290 Cb 0.11 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2pwu n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwu n GLY 291 N 1.17 0.63 3.59 7.41 0.00 -0.61 -4.97 105.19 112.42 2pwu n GLY 291 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2pwu n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwu s GLN 292 N -0.76 3.95 -0.14 1.61 0.74 -0.19 -0.06 119.66 124.81 2pwu s GLN 292 Ca 0.00 -0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.20 2pwu s GLN 292 Cb 0.00 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 2pwu s GLN 292 CO 0.00 -0.25 -0.02 0.00 -0.55 0.00 0.00 175.29 174.48 2pwu s ALA 293 N 1.91 3.11 0.10 1.58 0.00 0.44 -3.63 121.76 125.26 2pwu s ALA 293 Ca 0.11 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 2pwu s ALA 293 Cb -0.16 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 2pwu s ALA 293 CO 0.11 0.29 0.87 -0.06 0.00 0.00 0.00 175.76 176.96 2pwu s PHE 294 N 0.11 3.80 0.19 0.00 0.08 -1.26 -0.45 117.98 120.45 2pwu s PHE 294 Ca 0.00 1.67 0.02 0.00 0.12 0.00 0.00 56.93 58.74 2pwu s PHE 294 Cb -0.13 -2.94 -0.05 0.00 -0.57 0.00 0.00 43.02 39.33 2pwu s PHE 294 CO 0.02 0.27 0.02 0.95 -0.10 0.00 0.00 175.22 176.38 2pwu s THR 295 N -0.16 0.65 0.04 0.64 -4.23 -0.92 -4.83 115.64 106.83 2pwu s THR 295 Ca 0.43 -1.98 0.32 0.00 -1.18 0.00 0.00 61.69 59.27 2pwu s THR 295 Cb -0.22 -2.20 0.35 0.00 1.34 0.00 0.00 72.50 71.77 2pwu s THR 295 CO 0.27 -0.40 1.96 -0.50 -0.54 0.00 0.00 174.62 175.41 2pwu h TRP 296 N 2.65 0.00 -0.53 3.99 4.06 -1.95 0.57 115.95 124.73 2pwu h TRP 296 Ca -0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2pwu h TRP 296 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2pwu h TRP 296 CO 0.52 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 175.15 2pwu n ASP 297 N -2.80 4.59 0.00 -3.49 8.00 -1.26 -3.10 116.55 118.50 2pwu n ASP 297 Ca 0.00 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.93 2pwu n ASP 297 Cb 0.22 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2pwu n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwu n GLY 298 N 0.81 1.64 3.77 0.44 0.00 0.19 -4.77 105.19 107.27 2pwu n GLY 298 Ca 0.23 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 2pwu n GLY 298 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwu s PRO 299 N -2.19 3.80 0.19 1.61 0.04 -1.26 -2.16 135.00 135.03 2pwu s PRO 299 Ca 0.00 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.17 2pwu s PRO 299 Cb 0.00 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2pwu s PRO 299 CO 0.00 -0.59 -0.21 0.96 0.04 0.00 0.00 177.00 177.20 2pwu s ILE 300 N -1.36 2.11 -0.36 0.56 -4.36 0.41 -4.92 121.20 113.28 2pwu s ILE 300 Ca 0.61 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.92 2pwu s ILE 300 Cb -0.35 -2.01 0.05 0.00 1.25 0.00 0.00 42.46 41.40 2pwu s ILE 300 CO 0.44 -0.23 0.14 0.21 0.24 0.00 0.00 174.94 175.74 2pwu s ASN 301 N -2.73 5.40 0.59 4.36 3.84 -1.26 -0.42 114.94 124.71 2pwu s ASN 301 Ca 0.19 -1.24 0.34 0.00 0.21 0.00 0.00 52.86 52.36 2pwu s ASN 301 Cb -0.07 -1.90 1.86 0.00 -0.55 0.00 0.00 41.25 40.59 2pwu s ASN 301 CO 0.09 -0.38 2.21 -0.29 -2.79 0.00 0.00 177.10 175.94 2pwu h ILE 302 N 6.15 0.32 0.00 -5.21 6.09 -0.86 -1.21 117.51 122.79 2pwu h ILE 302 Ca -0.23 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 2pwu h ILE 302 Cb 1.08 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.53 2pwu h ILE 302 CO 0.64 0.04 0.00 0.03 -3.07 0.00 0.00 178.15 175.78 2pwu h ARG 303 N 0.00 0.00 -6.91 2.19 3.08 -1.88 -3.40 114.38 107.46 2pwu h ARG 303 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2pwu h ARG 303 Cb 0.15 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.33 2pwu h ARG 303 CO 0.00 0.00 0.61 -1.71 -1.07 0.00 0.00 179.97 177.81 2pwu n ASN 304 N -2.49 3.02 0.32 7.04 2.85 -0.46 -4.86 115.26 120.68 2pwu n ASN 304 Ca 0.02 1.12 0.21 0.00 -0.11 0.00 0.00 54.58 55.82 2pwu n ASN 304 Cb 0.27 -1.56 1.04 0.00 1.24 0.00 0.00 39.78 40.77 2pwu n ASN 304 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pwu h ALA 305 N 2.26 1.01 0.00 5.20 0.00 -1.90 -2.13 119.26 123.70 2pwu h ALA 305 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pwu h ALA 305 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2pwu h ALA 305 CO 0.61 0.00 0.00 0.07 0.00 0.00 0.00 179.25 179.93 2pwu h ARG 306 N 0.00 0.00 -0.03 0.00 0.11 -1.94 -2.29 114.38 110.24 2pwu h ARG 306 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pwu h ARG 306 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2pwu h ARG 306 CO 0.00 0.00 -0.08 1.19 0.10 0.00 0.00 179.97 181.18 2pwu n PHE 307 N -2.63 0.00 0.27 4.08 3.72 -0.80 -4.60 117.46 117.50 2pwu n PHE 307 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 2pwu n PHE 307 Cb 0.10 -0.00 0.84 0.00 -0.94 0.00 0.00 39.48 39.48 2pwu n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pwu h SER 308 N 3.97 0.00 0.00 4.37 4.64 -1.57 -2.53 113.55 122.43 2pwu h SER 308 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pwu h SER 308 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2pwu h SER 308 CO 0.00 0.00 -0.28 -0.62 -0.87 0.00 0.00 176.83 175.06 2pwu n GLU 309 N -4.00 0.57 -2.69 4.77 1.02 -1.26 -4.71 120.64 114.33 2pwu n GLU 309 Ca -0.02 -1.69 -0.43 0.00 -0.02 0.00 0.00 57.16 55.00 2pwu n GLU 309 Cb 0.12 -0.94 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 2pwu n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pwu s ASP 310 N -1.82 6.62 0.00 1.62 -1.08 -0.96 -4.92 116.67 116.13 2pwu s ASP 310 Ca 0.14 0.42 0.27 0.00 -0.52 0.00 0.00 52.55 52.86 2pwu s ASP 310 Cb 0.12 -2.51 0.98 0.00 -1.46 0.00 0.00 42.92 40.05 2pwu s ASP 310 CO 0.01 -1.12 1.71 0.18 0.52 0.00 0.00 175.17 176.47 2pwu n LEU 311 N 7.44 0.58 -4.79 -1.34 4.32 -1.26 -0.94 117.00 121.01 2pwu n LEU 311 Ca 0.10 -0.02 -0.33 0.00 -0.02 0.00 0.00 56.01 55.73 2pwu n LEU 311 Cb 0.49 -0.21 0.01 0.00 -1.62 0.00 0.00 43.42 42.09 2pwu n LEU 311 CO 0.67 0.11 0.74 -0.54 -1.22 0.00 0.00 177.39 177.15 2pwu s LYS 312 N -2.63 3.28 0.94 3.23 1.02 -1.26 -4.62 119.74 119.70 2pwu s LYS 312 Ca 0.23 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.46 2pwu s LYS 312 Cb 0.19 -2.02 0.16 0.00 -0.52 0.00 0.00 37.83 35.64 2pwu s LYS 312 CO 0.53 -0.86 1.09 -1.25 -0.92 0.00 0.00 175.35 173.94 2pwu s PRO 313 N -3.78 0.85 0.24 -1.68 0.04 -1.26 -1.13 135.00 128.27 2pwu s PRO 313 Ca 0.67 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2pwu s PRO 313 Cb -0.19 -1.75 0.29 0.00 0.04 0.00 0.00 34.50 32.90 2pwu s PRO 313 CO 0.33 -2.57 1.57 -0.07 0.04 0.00 0.00 177.00 176.31 2pwu h LEU 314 N -1.80 -1.08 -8.02 -3.56 4.07 -1.90 -3.39 115.31 99.63 2pwu h LEU 314 Ca -0.50 0.27 -0.41 0.00 0.08 0.00 0.00 57.88 57.32 2pwu h LEU 314 Cb 1.29 0.62 -0.30 0.00 1.08 0.00 0.00 40.66 43.35 2pwu h LEU 314 CO 0.51 -0.29 -0.78 -0.62 -1.08 0.00 0.00 178.44 176.17 2pwu s ASP 315 N -5.27 1.16 0.00 -0.43 -1.08 -1.26 -4.90 116.67 104.89 2pwu s ASP 315 Ca -0.14 -0.18 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 2pwu s ASP 315 Cb 0.22 -0.21 1.45 0.00 -1.46 0.00 0.00 42.92 42.92 2pwu s ASP 315 CO 0.74 0.09 1.96 -1.20 0.52 0.00 0.00 175.17 177.28 2pwu n SER 316 N 3.05 0.45 -0.01 -0.34 7.64 -1.26 -3.28 113.62 119.87 2pwu n SER 316 Ca -0.16 -1.26 0.03 0.00 1.01 0.00 0.00 58.87 58.49 2pwu n SER 316 Cb 0.56 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2pwu n SER 316 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2pwu n GLU 317 N -0.60 0.68 -1.70 1.43 1.02 -1.26 -5.04 120.64 115.17 2pwu n GLU 317 Ca 0.20 -0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 2pwu n GLU 317 Cb 0.17 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 2pwu n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pwu n HIS 319 N 2.01 0.00 -1.05 0.00 8.25 -1.26 -4.74 115.22 118.42 2pwu n HIS 319 Ca 0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 2pwu n HIS 319 Cb 0.34 -0.04 0.17 0.00 1.12 0.00 0.00 29.99 31.58 2pwu n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pwu h ALA 321 N -1.82 1.44 -0.23 0.00 0.00 -1.94 -2.56 119.26 114.15 2pwu h ALA 321 Ca -0.52 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 2pwu h ALA 321 Cb 1.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pwu h ALA 321 CO 0.53 0.24 -0.28 0.28 0.00 0.00 0.00 179.25 180.02 2pwu h VAL 322 N 0.00 1.32 0.00 0.00 2.07 -1.91 -2.97 116.25 114.76 2pwu h VAL 322 Ca -0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2pwu h VAL 322 Cb 0.41 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2pwu h VAL 322 CO 0.03 0.46 0.00 0.00 0.02 0.00 0.00 177.57 178.07 2pwu h GLN 324 N 0.00 0.00 0.00 0.00 -0.00 -1.35 -3.41 115.11 110.34 2pwu h GLN 324 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 2pwu h GLN 324 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.10 2pwu h GLN 324 CO 0.00 0.37 -1.22 1.63 -0.00 0.00 0.00 178.83 179.61 2pwu n LYS 325 N -3.27 1.57 -4.27 0.06 5.02 -0.80 -5.07 118.16 111.39 2pwu n LYS 325 Ca 0.02 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 2pwu n LYS 325 Cb 0.62 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.43 2pwu n LYS 325 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pwu s TRP 326 N -2.08 1.69 0.41 2.13 0.51 0.37 -5.11 118.94 116.87 2pwu s TRP 326 Ca -0.04 -0.44 -0.07 0.00 -2.12 0.00 0.00 56.10 53.43 2pwu s TRP 326 Cb 0.01 -0.91 -0.05 0.00 -0.81 0.00 0.00 33.47 31.71 2pwu s TRP 326 CO 0.11 0.20 0.74 -1.54 -0.51 0.00 0.00 176.95 175.94 2pwu s SER 327 N -2.03 6.40 0.25 2.95 1.04 -1.26 -4.49 113.70 116.56 2pwu s SER 327 Ca 0.07 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.43 2pwu s SER 327 Cb -0.09 -2.26 0.49 0.00 0.10 0.00 0.00 66.02 64.26 2pwu s SER 327 CO 0.04 -0.43 1.72 0.03 0.98 0.00 0.00 173.24 175.58 2pwu h ARG 328 N 0.92 0.42 -0.56 4.02 3.08 -1.11 -2.09 114.38 119.05 2pwu h ARG 328 Ca -0.47 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.62 2pwu h ARG 328 Cb 1.20 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 2pwu h ARG 328 CO 0.63 0.28 0.25 0.00 -1.07 0.00 0.00 179.97 180.06 2pwu h ALA 329 N 1.57 0.72 -0.23 0.04 0.00 -1.01 0.46 119.26 120.82 2pwu h ALA 329 Ca 0.43 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 2pwu h ALA 329 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2pwu h ALA 329 CO -0.42 -0.12 -0.06 -0.92 0.00 0.00 0.00 179.25 177.72 2pwu h TYR 330 N 0.47 0.50 -0.20 0.00 3.20 -1.74 -1.66 116.97 117.54 2pwu h TYR 330 Ca 0.26 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2pwu h TYR 330 Cb 0.24 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2pwu h TYR 330 CO -0.13 0.68 -0.30 0.82 -1.64 0.00 0.00 178.16 177.59 2pwu h ILE 331 N 0.17 1.27 -0.19 1.81 2.04 -1.06 0.58 117.51 122.14 2pwu h ILE 331 Ca 0.06 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.63 2pwu h ILE 331 Cb 0.52 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2pwu h ILE 331 CO 0.02 0.41 -0.09 -0.74 0.00 0.00 0.00 178.15 177.75 2pwu h HIS 332 N 0.34 -0.22 -0.20 1.37 2.76 0.02 -0.96 115.15 118.26 2pwu h HIS 332 Ca 0.05 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2pwu h HIS 332 Cb 0.71 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 2pwu h HIS 332 CO 0.02 -0.15 0.07 1.25 -1.30 0.00 0.00 177.93 177.83 2pwu h HIS 333 N -0.07 0.13 -0.00 5.26 -0.00 -0.50 -1.66 115.15 118.31 2pwu h HIS 333 Ca 0.11 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 2pwu h HIS 333 Cb 0.23 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2pwu h HIS 333 CO -0.25 0.07 -0.15 -0.07 -0.00 0.00 0.00 177.93 177.53 2pwu h LEU 334 N 0.17 -0.43 -0.29 0.26 4.07 -0.63 -1.09 115.31 117.37 2pwu h LEU 334 Ca 0.08 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.00 2pwu h LEU 334 Cb 0.05 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2pwu h LEU 334 CO -0.08 -0.21 -0.24 0.40 -1.08 0.00 0.00 178.44 177.23 2pwu h ILE 335 N -0.25 1.30 -0.40 1.22 1.08 -1.08 -0.93 117.51 118.45 2pwu h ILE 335 Ca 0.05 -1.39 0.05 0.00 -0.39 0.00 0.00 64.86 63.19 2pwu h ILE 335 Cb 0.31 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 2pwu h ILE 335 CO -0.15 0.44 0.27 0.03 -0.69 0.00 0.00 178.15 178.06 2pwu h ARG 336 N 0.42 0.31 -0.04 2.37 3.08 -1.24 -1.26 114.38 118.03 2pwu h ARG 336 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2pwu h ARG 336 Cb 0.79 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2pwu h ARG 336 CO 0.06 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 2pwu n ALA 337 N -2.52 2.60 -1.57 0.04 0.00 -0.42 -4.89 120.51 113.74 2pwu n ALA 337 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 2pwu n ALA 337 Cb 0.24 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 2pwu n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwu n GLY 338 N 1.08 0.95 3.76 0.00 0.00 -0.48 -4.98 105.19 105.52 2pwu n GLY 338 Ca 0.19 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2pwu n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwu s GLU 339 N -3.42 4.59 0.27 1.61 0.41 -0.42 -4.94 118.70 116.80 2pwu s GLU 339 Ca 0.00 1.86 -0.01 0.00 -0.41 0.00 0.00 54.97 56.41 2pwu s GLU 339 Cb 0.00 -3.19 0.48 0.00 -1.78 0.00 0.00 34.13 29.64 2pwu s GLU 339 CO 0.00 0.13 1.85 0.82 -0.49 0.00 0.00 175.26 177.56 2pwu h ILE 340 N 3.20 0.97 -0.01 -1.63 2.04 -1.93 -0.95 117.51 119.20 2pwu h ILE 340 Ca -0.47 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2pwu h ILE 340 Cb 1.21 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2pwu h ILE 340 CO 0.68 0.19 -0.02 0.25 0.00 0.00 0.00 178.15 179.24 2pwu h LEU 341 N 1.02 0.01 -0.26 1.44 5.85 -1.94 -1.04 115.31 120.39 2pwu h LEU 341 Ca 0.46 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.21 2pwu h LEU 341 Cb 0.36 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2pwu h LEU 341 CO -0.23 0.04 0.10 1.23 -0.34 0.00 0.00 178.44 179.23 2pwu h GLY 342 N 0.10 0.33 1.18 3.75 0.00 -1.44 -0.45 103.07 106.55 2pwu h GLY 342 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2pwu h GLY 342 CO 0.00 0.04 0.11 0.00 0.00 0.00 0.00 176.54 176.69 2pwu h ALA 343 N 1.16 1.02 -0.25 3.60 0.00 -1.24 -1.90 119.26 121.65 2pwu h ALA 343 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pwu h ALA 343 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2pwu h ALA 343 CO -0.11 0.63 0.15 0.52 0.00 0.00 0.00 179.25 180.44 2pwu h MET 344 N 0.95 0.33 -0.11 0.00 2.07 -0.82 -0.82 114.93 116.53 2pwu h MET 344 Ca 0.19 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.77 2pwu h MET 344 Cb 0.40 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 30.06 2pwu h MET 344 CO 0.01 0.26 -0.03 -0.07 1.07 0.00 0.00 176.91 178.15 2pwu h LEU 345 N 0.32 0.22 -0.64 1.22 4.07 -0.91 -1.31 115.31 118.28 2pwu h LEU 345 Ca 0.09 -0.37 0.06 0.00 0.08 0.00 0.00 57.88 57.74 2pwu h LEU 345 Cb 0.00 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 2pwu h LEU 345 CO -0.02 0.54 0.34 0.24 -1.08 0.00 0.00 178.44 178.47 2pwu h MET 346 N -0.10 0.62 -0.40 1.13 2.86 -1.36 -1.33 114.93 116.35 2pwu h MET 346 Ca 0.03 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 2pwu h MET 346 Cb 0.44 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2pwu h MET 346 CO 0.01 0.41 -0.30 1.15 1.06 0.00 0.00 176.91 179.24 2pwu h THR 347 N 0.63 1.28 -0.33 2.22 2.02 -0.99 -0.58 112.91 117.16 2pwu h THR 347 Ca 0.29 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 2pwu h THR 347 Cb 0.20 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2pwu h THR 347 CO -0.19 0.49 0.17 -0.08 0.37 0.00 0.00 175.52 176.28 2pwu h GLU 348 N 0.72 0.47 -0.24 6.66 4.81 -1.12 -1.52 114.58 124.37 2pwu h GLU 348 Ca 0.08 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pwu h GLU 348 Cb 0.88 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2pwu h GLU 348 CO 0.08 0.42 0.16 1.25 -0.73 0.00 0.00 179.01 180.19 2pwu h HIS 349 N 0.41 0.30 -0.46 0.92 2.76 -1.13 -1.37 115.15 116.58 2pwu h HIS 349 Ca 0.12 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 2pwu h HIS 349 Cb 0.10 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 2pwu h HIS 349 CO -0.02 0.19 -0.04 -0.91 -1.30 0.00 0.00 177.93 175.85 2pwu h ASN 350 N 0.32 0.75 -0.08 3.26 2.35 -0.90 0.29 115.58 121.59 2pwu h ASN 350 Ca 0.09 -0.19 -0.17 0.00 -0.55 0.00 0.00 56.30 55.47 2pwu h ASN 350 Cb -0.04 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 2pwu h ASN 350 CO -0.02 0.84 -0.56 0.40 -1.65 0.00 0.00 177.43 176.44 2pwu h ILE 351 N 0.72 1.31 -0.18 2.81 1.08 -1.20 -1.72 117.51 120.33 2pwu h ILE 351 Ca 0.13 -1.79 -0.00 0.00 -0.39 0.00 0.00 64.86 62.81 2pwu h ILE 351 Cb 0.49 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 2pwu h ILE 351 CO 0.03 0.57 0.10 0.00 -0.69 0.00 0.00 178.15 178.16 2pwu h ALA 352 N 0.86 0.22 -0.24 1.87 0.00 -0.87 -0.74 119.26 120.37 2pwu h ALA 352 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2pwu h ALA 352 Cb 1.13 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2pwu h ALA 352 CO 0.11 -0.27 -0.19 0.35 0.00 0.00 0.00 179.25 179.25 2pwu h PHE 353 N 0.20 -0.50 -0.48 0.00 3.57 -0.33 0.13 116.94 119.53 2pwu h PHE 353 Ca 0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2pwu h PHE 353 Cb 0.03 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2pwu h PHE 353 CO -0.05 -0.27 0.22 1.88 -2.23 0.00 0.00 178.31 177.86 2pwu h TYR 354 N -0.19 0.39 -0.78 0.41 -1.99 -1.07 0.26 116.97 114.01 2pwu h TYR 354 Ca 0.14 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.86 2pwu h TYR 354 Cb 0.40 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 2pwu h TYR 354 CO -0.35 0.17 0.36 1.96 -0.00 0.00 0.00 178.16 180.29 2pwu h GLN 355 N 0.43 1.12 -0.60 4.88 1.08 -0.64 -0.97 115.11 120.41 2pwu h GLN 355 Ca 0.22 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 2pwu h GLN 355 Cb 0.17 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2pwu h GLN 355 CO -0.18 0.87 0.13 1.96 -0.95 0.00 0.00 178.83 180.66 2pwu h GLN 356 N 1.11 0.94 -0.19 1.46 4.20 -0.13 0.34 115.11 122.82 2pwu h GLN 356 Ca 0.27 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2pwu h GLN 356 Cb 0.14 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2pwu h GLN 356 CO -0.03 0.84 0.12 1.25 -0.67 0.00 0.00 178.83 180.34 2pwu h LEU 357 N 0.89 0.21 -1.06 1.46 5.85 -0.53 -0.35 115.31 121.78 2pwu h LEU 357 Ca 0.19 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2pwu h LEU 357 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2pwu h LEU 357 CO 0.00 0.15 0.05 0.24 -0.34 0.00 0.00 178.44 178.55 2pwu h MET 358 N 0.25 0.72 -0.54 1.25 2.86 -0.65 0.58 114.93 119.40 2pwu h MET 358 Ca 0.07 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2pwu h MET 358 Cb -0.02 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2pwu h MET 358 CO -0.02 0.70 0.20 0.37 1.06 0.00 0.00 176.91 179.22 2pwu h GLN 359 N 0.69 0.82 -0.91 1.72 5.75 -0.61 0.17 115.11 122.73 2pwu h GLN 359 Ca 0.15 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2pwu h GLN 359 Cb 0.35 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2pwu h GLN 359 CO 0.01 0.72 0.55 0.87 -2.65 0.00 0.00 178.83 178.34 2pwu h LYS 360 N 0.74 1.23 -0.12 1.69 1.57 -0.70 -0.09 116.57 120.88 2pwu h LYS 360 Ca 0.18 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2pwu h LYS 360 Cb 0.22 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2pwu h LYS 360 CO -0.01 0.85 0.05 0.82 -0.57 0.00 0.00 179.45 180.59 2pwu h ILE 361 N 1.25 1.14 -0.08 1.86 2.04 -0.53 -1.54 117.51 121.65 2pwu h ILE 361 Ca 0.33 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2pwu h ILE 361 Cb -0.07 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2pwu h ILE 361 CO -0.06 0.13 0.04 0.03 0.00 0.00 0.00 178.15 178.29 2pwu h ARG 362 N 0.04 0.08 -0.65 2.37 3.08 -0.29 -1.82 114.38 117.20 2pwu h ARG 362 Ca 0.04 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2pwu h ARG 362 Cb 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2pwu h ARG 362 CO -0.00 0.05 0.33 -0.44 -1.07 0.00 0.00 179.97 178.84 2pwu h ASP 363 N 0.09 0.83 -0.04 7.04 3.32 -1.04 -1.60 116.42 125.01 2pwu h ASP 363 Ca 0.03 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 2pwu h ASP 363 Cb 0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2pwu h ASP 363 CO -0.02 0.71 -0.30 0.77 -1.72 0.00 0.00 179.24 178.68 2pwu h SER 364 N 0.89 0.51 -0.36 6.45 4.64 -1.08 -1.22 113.55 123.40 2pwu h SER 364 Ca 0.23 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 2pwu h SER 364 Cb 0.08 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2pwu h SER 364 CO -0.03 0.79 -0.41 0.40 -0.87 0.00 0.00 176.83 176.71 2pwu h ILE 365 N 0.43 1.27 -0.01 0.95 2.04 -1.14 0.21 117.51 121.28 2pwu h ILE 365 Ca 0.06 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 2pwu h ILE 365 Cb 0.75 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2pwu h ILE 365 CO 0.06 0.53 -0.23 -1.28 0.00 0.00 0.00 178.15 177.23 2pwu h SER 366 N 0.72 0.01 -0.05 1.72 0.87 -1.07 -1.75 113.55 113.99 2pwu h SER 366 Ca 0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2pwu h SER 366 Cb 1.01 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2pwu h SER 366 CO 0.10 0.24 0.00 -0.62 -0.53 0.00 0.00 176.83 176.02 2pwu n GLU 367 N -4.27 1.72 -2.56 2.24 1.02 -0.48 -4.95 120.64 113.36 2pwu n GLU 367 Ca -0.02 -1.05 -0.14 0.00 -0.02 0.00 0.00 57.16 55.93 2pwu n GLU 367 Cb 0.29 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 2pwu n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pwu n GLY 368 N 1.18 -0.12 0.94 0.62 0.00 -0.53 -4.90 105.19 102.38 2pwu n GLY 368 Ca 0.18 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2pwu n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pwu n ARG 369 N -2.64 0.38 -0.23 1.61 1.85 0.64 -4.85 116.66 113.43 2pwu n ARG 369 Ca -0.10 -1.99 -0.07 0.00 -1.00 0.00 0.00 57.85 54.68 2pwu n ARG 369 Cb 0.59 -0.55 0.04 0.00 -1.05 0.00 0.00 32.46 31.49 2pwu n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2pwu h PHE 370 N 0.62 0.97 -0.91 2.89 3.57 -1.75 -1.42 116.94 120.91 2pwu h PHE 370 Ca -0.11 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.37 2pwu h PHE 370 Cb 1.53 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.92 2pwu h PHE 370 CO 0.23 0.76 0.58 1.03 -2.23 0.00 0.00 178.31 178.69 2pwu h SER 371 N 0.89 0.94 -0.13 0.41 0.87 -1.90 0.14 113.55 114.78 2pwu h SER 371 Ca 0.21 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2pwu h SER 371 Cb 0.20 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2pwu h SER 371 CO -0.02 0.62 -0.29 -0.61 -0.53 0.00 0.00 176.83 176.00 2pwu h GLN 372 N 1.09 0.60 -0.54 2.24 5.75 -1.92 -2.81 115.11 119.52 2pwu h GLN 372 Ca 0.38 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 2pwu h GLN 372 Cb 0.10 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2pwu h GLN 372 CO -0.15 0.82 0.19 0.35 -2.65 0.00 0.00 178.83 177.39 2pwu h PHE 373 N 0.52 0.85 -0.55 3.99 3.57 0.08 -0.94 116.94 124.46 2pwu h PHE 373 Ca 0.07 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2pwu h PHE 373 Cb 0.76 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2pwu h PHE 373 CO 0.03 0.71 -0.04 0.00 -2.23 0.00 0.00 178.31 176.78 2pwu h ALA 374 N 1.05 0.75 -0.53 2.41 0.00 -0.71 0.67 119.26 122.89 2pwu h ALA 374 Ca 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2pwu h ALA 374 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pwu h ALA 374 CO -0.01 0.61 0.23 0.37 0.00 0.00 0.00 179.25 180.44 2pwu h GLN 375 N 0.88 0.79 -0.28 0.00 4.15 -1.40 0.13 115.11 119.37 2pwu h GLN 375 Ca 0.15 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 2pwu h GLN 375 Cb 0.59 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 2pwu h GLN 375 CO 0.04 0.68 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.86 2pwu h ASP 376 N 0.72 0.76 0.06 -0.69 5.19 -1.01 -1.70 116.42 119.74 2pwu h ASP 376 Ca 0.18 -0.49 0.03 0.00 -0.62 0.00 0.00 57.03 56.13 2pwu h ASP 376 Cb 0.17 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 2pwu h ASP 376 CO -0.02 1.09 -0.33 0.15 -3.12 0.00 0.00 179.24 177.01 2pwu h PHE 377 N 0.44 -0.92 -0.33 4.55 3.57 -0.80 -2.54 116.94 120.92 2pwu h PHE 377 Ca 0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2pwu h PHE 377 Cb 0.89 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 2pwu h PHE 377 CO 0.07 -0.43 0.04 0.00 -2.23 0.00 0.00 178.31 175.77 2pwu h ARG 378 N -0.52 0.15 -0.93 1.11 3.08 -0.92 0.11 114.38 116.45 2pwu h ARG 378 Ca 0.04 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.17 2pwu h ARG 378 Cb 0.58 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 2pwu h ARG 378 CO -0.23 0.10 0.58 0.00 -1.07 0.00 0.00 179.97 179.34 2pwu h ALA 379 N 1.26 1.33 0.21 0.04 0.00 -1.09 -1.60 119.26 119.41 2pwu h ALA 379 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 2pwu h ALA 379 Cb 0.19 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.79 2pwu h ALA 379 CO -0.23 0.27 -1.22 -0.09 0.00 0.00 0.00 179.25 177.98 2pwu h ARG 380 N 1.00 0.46 -0.35 0.00 1.12 -1.21 -2.99 114.38 112.41 2pwu h ARG 380 Ca 0.43 -0.77 -0.17 0.00 -1.11 0.00 0.00 59.98 58.36 2pwu h ARG 380 Cb 0.29 0.29 -0.00 0.00 -0.01 0.00 0.00 29.97 30.54 2pwu h ARG 380 CO -0.21 1.37 -0.44 -0.92 -3.11 0.00 0.00 179.97 176.65 2pwu h TYR 381 N -0.05 1.11 0.00 2.20 3.20 -0.53 -3.05 116.97 119.85 2pwu h TYR 381 Ca -0.21 -0.36 -0.05 0.00 3.14 0.00 0.00 58.73 61.25 2pwu h TYR 381 Cb 1.97 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.00 2pwu h TYR 381 CO 0.16 1.19 -0.59 0.74 -1.64 0.00 0.00 178.16 178.01 2pwu h PHE 382 N 0.72 0.00 0.00 -3.82 0.04 -1.46 -3.27 116.94 109.14 2pwu h PHE 382 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2pwu h PHE 382 Cb 1.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 2pwu h PHE 382 CO 0.07 0.22 0.00 0.00 -0.60 0.00 0.00 178.31 178.00