#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjw s LYS 2 N 0.00 4.03 -0.19 3.17 2.20 -1.26 -0.28 119.74 127.42 1rjw s LYS 2 Ca 0.00 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.08 1rjw s LYS 2 Cb 0.00 -2.36 0.13 0.00 -1.51 0.00 0.00 37.83 34.09 1rjw s LYS 2 CO 0.00 0.08 1.03 0.00 -0.36 0.00 0.00 175.35 176.10 1rjw s ALA 3 N -2.09 -1.95 -0.21 3.13 0.00 -0.65 -2.31 121.76 117.68 1rjw s ALA 3 Ca 0.56 1.65 -0.19 0.00 0.00 0.00 0.00 51.96 53.98 1rjw s ALA 3 Cb -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1rjw s ALA 3 CO 0.18 -0.29 0.54 0.00 0.00 0.00 0.00 175.76 176.19 1rjw s ALA 4 N -0.85 3.56 0.00 0.00 0.00 -0.53 -1.73 121.76 122.21 1rjw s ALA 4 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1rjw s ALA 4 Cb -0.01 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1rjw s ALA 4 CO -0.00 -0.54 -0.11 0.54 0.00 0.00 0.00 175.76 175.65 1rjw s VAL 5 N 1.86 0.86 -0.34 0.00 0.11 -0.24 -4.30 120.40 118.35 1rjw s VAL 5 Ca 0.24 -0.56 -0.19 0.00 -2.93 0.00 0.00 61.98 58.54 1rjw s VAL 5 Cb -0.15 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1rjw s VAL 5 CO 0.09 0.17 0.57 -0.69 -3.33 0.00 0.00 175.10 171.92 1rjw s VAL 6 N -0.39 4.96 -0.16 2.04 1.01 0.31 -0.84 120.40 127.34 1rjw s VAL 6 Ca 0.03 0.51 0.13 0.00 0.00 0.00 0.00 61.98 62.65 1rjw s VAL 6 Cb -0.05 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 1rjw s VAL 6 CO -0.00 -0.24 0.23 -0.62 0.00 0.00 0.00 175.10 174.47 1rjw n GLU 7 N 5.87 0.67 -3.80 2.72 1.02 -1.26 -1.27 120.64 124.59 1rjw n GLU 7 Ca -0.03 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1rjw n GLU 7 Cb 0.49 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 1rjw n GLU 7 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1rjw s GLN 8 N -2.53 0.36 0.39 3.49 -1.52 -1.26 -4.76 119.66 113.82 1rjw s GLN 8 Ca -0.12 0.14 -0.27 0.00 -1.95 0.00 0.00 55.36 53.16 1rjw s GLN 8 Cb 0.07 0.16 -0.10 0.00 -0.22 0.00 0.00 33.01 32.93 1rjw s GLN 8 CO 0.80 -0.06 1.40 -0.06 -0.25 0.00 0.00 175.29 177.11 1rjw s PHE 9 N -0.30 2.69 -0.16 0.91 0.08 -1.26 -2.28 117.98 117.65 1rjw s PHE 9 Ca -0.04 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1rjw s PHE 9 Cb -0.03 -3.86 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1rjw s PHE 9 CO 0.01 -2.58 0.00 1.63 -0.10 0.00 0.00 175.22 174.18 1rjw n LYS 10 N 0.29 -1.06 -4.35 0.44 5.02 -0.75 -4.97 118.16 112.79 1rjw n LYS 10 Ca 0.02 0.36 -0.34 0.00 -2.02 0.00 0.00 58.31 56.33 1rjw n LYS 10 Cb 0.41 -4.20 -0.09 0.00 -0.02 0.00 0.00 35.03 31.13 1rjw n LYS 10 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rjw s GLU 11 N -1.34 2.94 0.49 1.97 0.41 -0.97 -5.07 118.70 117.12 1rjw s GLU 11 Ca 0.00 -0.46 -0.23 0.00 -0.41 0.00 0.00 54.97 53.87 1rjw s GLU 11 Cb 0.00 -2.76 -0.08 0.00 -1.78 0.00 0.00 34.13 29.51 1rjw s GLU 11 CO 0.00 0.68 1.21 -0.35 -0.49 0.00 0.00 175.26 176.31 1rjw n PRO 12 N 1.93 1.61 -2.19 0.39 -0.04 -1.26 -4.82 135.00 130.62 1rjw n PRO 12 Ca -0.17 0.58 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 1rjw n PRO 12 Cb 0.53 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.65 1rjw n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rjw s LEU 13 N -2.06 3.72 -0.19 1.53 1.02 -1.26 -4.80 118.68 116.64 1rjw s LEU 13 Ca 0.67 2.22 -0.05 0.00 0.02 0.00 0.00 54.13 56.99 1rjw s LEU 13 Cb -0.47 -4.58 -0.02 0.00 0.02 0.00 0.00 46.19 41.13 1rjw s LEU 13 CO 0.54 -1.32 -0.01 -0.54 0.02 0.00 0.00 176.35 175.04 1rjw s LYS 14 N -3.32 3.61 -0.67 1.70 1.02 -0.02 -4.85 119.74 117.22 1rjw s LYS 14 Ca 0.74 -0.53 -0.22 0.00 0.02 0.00 0.00 55.97 55.98 1rjw s LYS 14 Cb -0.25 -3.05 0.07 0.00 -0.52 0.00 0.00 37.83 34.08 1rjw s LYS 14 CO 0.29 0.03 0.97 0.42 -0.92 0.00 0.00 175.35 176.14 1rjw s ILE 15 N 0.93 4.36 0.30 2.17 1.09 -1.26 -1.08 121.20 127.71 1rjw s ILE 15 Ca 0.01 -0.45 0.05 0.00 -1.10 0.00 0.00 60.65 59.15 1rjw s ILE 15 Cb -0.14 -4.68 -0.03 0.00 -1.06 0.00 0.00 42.46 36.54 1rjw s ILE 15 CO 0.02 -1.45 0.22 -1.59 -0.10 0.00 0.00 174.94 172.04 1rjw s LYS 16 N 3.94 1.60 0.15 2.79 -2.85 -0.70 -4.92 119.74 119.74 1rjw s LYS 16 Ca 0.22 -1.91 -0.28 0.00 -1.00 0.00 0.00 55.97 53.00 1rjw s LYS 16 Cb -0.16 0.25 -0.07 0.00 -2.06 0.00 0.00 37.83 35.78 1rjw s LYS 16 CO 0.09 -0.56 0.88 -1.21 0.10 0.00 0.00 175.35 174.65 1rjw s GLU 17 N -3.68 4.68 0.17 1.78 0.41 -1.26 -1.64 118.70 119.17 1rjw s GLU 17 Ca 0.39 1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 56.28 1rjw s GLU 17 Cb 0.04 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.02 1rjw s GLU 17 CO 0.22 0.38 0.08 0.08 -0.49 0.00 0.00 175.26 175.54 1rjw s VAL 18 N -0.57 0.15 0.36 2.63 1.01 0.62 -4.94 120.40 119.65 1rjw s VAL 18 Ca 0.41 -1.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 1rjw s VAL 18 Cb -0.24 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 1rjw s VAL 18 CO 0.28 -0.26 1.37 -1.61 0.00 0.00 0.00 175.10 174.88 1rjw s GLU 19 N -4.08 4.22 -0.07 2.72 2.02 -1.26 -0.99 118.70 121.26 1rjw s GLU 19 Ca 0.31 2.33 -0.30 0.00 0.02 0.00 0.00 54.97 57.33 1rjw s GLU 19 Cb 0.07 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 1rjw s GLU 19 CO 0.07 -0.34 1.11 0.21 0.02 0.00 0.00 175.26 176.32 1rjw s LYS 20 N -1.95 4.39 0.43 1.61 2.20 -1.26 -4.71 119.74 120.45 1rjw s LYS 20 Ca 0.51 1.54 -0.26 0.00 -0.36 0.00 0.00 55.97 57.40 1rjw s LYS 20 Cb -0.42 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.27 1rjw s LYS 20 CO 0.56 -0.37 1.42 -0.35 -0.36 0.00 0.00 175.35 176.26 1rjw n PRO 21 N 5.02 2.30 -3.96 4.03 -0.04 -1.26 -5.03 135.00 136.06 1rjw n PRO 21 Ca 0.10 0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 64.05 1rjw n PRO 21 Cb 0.47 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.28 1rjw n PRO 21 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1rjw s THR 22 N -1.18 5.22 0.25 0.52 -1.32 -1.26 -4.94 115.64 112.94 1rjw s THR 22 Ca 0.59 -0.29 0.11 0.00 -1.21 0.00 0.00 61.69 60.90 1rjw s THR 22 Cb -0.46 -3.46 -0.05 0.00 -1.51 0.00 0.00 72.50 67.02 1rjw s THR 22 CO 0.59 0.28 -0.20 0.27 -2.21 0.00 0.00 174.62 173.36 1rjw s ILE 23 N -1.33 2.33 0.00 5.08 -4.36 -1.26 -5.00 121.20 116.66 1rjw s ILE 23 Ca 0.28 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1rjw s ILE 23 Cb -0.13 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1rjw s ILE 23 CO 0.20 -0.37 0.00 -1.54 0.24 0.00 0.00 174.94 173.46 1rjw n SER 24 N -0.39 0.00 -4.68 4.36 3.41 -1.26 -4.98 113.62 110.08 1rjw n SER 24 Ca -0.07 0.00 -0.62 0.00 -0.26 0.00 0.00 58.87 57.92 1rjw n SER 24 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 1rjw n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rjw n TYR 25 N 0.00 1.60 -1.25 7.33 4.01 -1.26 -1.97 117.16 125.62 1rjw n TYR 25 Ca 0.00 0.94 -0.09 0.00 -0.16 0.00 0.00 57.90 58.60 1rjw n TYR 25 Cb 0.00 -2.27 -0.04 0.00 -0.31 0.00 0.00 39.34 36.73 1rjw n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rjw n GLY 26 N 3.44 1.01 3.57 2.72 0.00 -0.58 -4.94 105.19 110.40 1rjw n GLY 26 Ca 0.27 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1rjw n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rjw s GLU 27 N -2.51 1.86 0.02 1.61 2.02 -0.83 -1.07 118.70 119.80 1rjw s GLU 27 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.97 1rjw s GLU 27 Cb 0.00 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 1rjw s GLU 27 CO 0.00 -0.01 -0.03 0.14 0.02 0.00 0.00 175.26 175.38 1rjw s VAL 28 N -2.77 0.15 -0.16 2.63 -7.23 -0.38 -0.40 120.40 112.23 1rjw s VAL 28 Ca 0.34 -0.80 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 1rjw s VAL 28 Cb 0.07 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.70 1rjw s VAL 28 CO 0.17 -0.41 0.22 -0.22 -0.31 0.00 0.00 175.10 174.55 1rjw s LEU 29 N -1.27 4.26 -0.10 1.32 0.20 -0.33 -1.54 118.68 121.23 1rjw s LEU 29 Ca -0.13 0.43 0.04 0.00 0.69 0.00 0.00 54.13 55.16 1rjw s LEU 29 Cb -0.09 -2.25 0.00 0.00 -0.43 0.00 0.00 46.19 43.43 1rjw s LEU 29 CO -0.01 0.18 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.31 1rjw s VAL 30 N 0.14 2.04 -0.46 1.68 1.01 -0.71 -0.93 120.40 123.16 1rjw s VAL 30 Ca 0.14 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1rjw s VAL 30 Cb -0.12 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1rjw s VAL 30 CO 0.02 0.56 0.82 -0.60 0.00 0.00 0.00 175.10 175.90 1rjw s ARG 31 N 0.35 3.41 0.10 2.72 6.06 0.30 -1.63 118.95 130.26 1rjw s ARG 31 Ca -0.19 -0.09 -0.30 0.00 -2.50 0.00 0.00 55.73 52.65 1rjw s ARG 31 Cb -0.18 -3.95 -0.06 0.00 0.06 0.00 0.00 34.95 30.82 1rjw s ARG 31 CO 0.09 -1.18 1.17 0.42 -2.50 0.00 0.00 175.30 173.30 1rjw s ILE 32 N 3.43 3.96 -0.14 4.11 -1.09 0.26 -1.18 121.20 130.55 1rjw s ILE 32 Ca 0.31 1.49 0.13 0.00 -2.23 0.00 0.00 60.65 60.35 1rjw s ILE 32 Cb -0.12 -3.95 -0.18 0.00 -1.58 0.00 0.00 42.46 36.63 1rjw s ILE 32 CO 0.23 0.16 0.06 0.29 -1.23 0.00 0.00 174.94 174.45 1rjw n LYS 33 N 3.40 1.60 -3.47 2.79 4.76 0.04 -4.65 118.16 122.63 1rjw n LYS 33 Ca 0.07 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 1rjw n LYS 33 Cb 0.46 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 1rjw n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rjw s ALA 34 N -2.36 -1.51 -0.24 7.82 0.00 -1.01 -2.36 121.76 122.10 1rjw s ALA 34 Ca -0.07 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1rjw s ALA 34 Cb 0.04 0.75 0.11 0.00 0.00 0.00 0.00 23.12 24.03 1rjw s ALA 34 CO 0.60 -0.70 0.48 0.00 0.00 0.00 0.00 175.76 176.14 1rjw s GLY 36 N 2.69 2.56 -0.22 0.00 0.00 -0.67 -0.59 107.32 111.10 1rjw s GLY 36 Ca 0.01 0.90 -0.09 0.00 0.00 0.00 0.00 44.72 45.53 1rjw s GLY 36 CO -0.15 1.28 0.12 0.14 0.00 0.00 0.00 173.10 174.49 1rjw s VAL 37 N -1.80 5.10 0.06 1.40 1.01 0.05 -4.38 120.40 121.83 1rjw s VAL 37 Ca 0.75 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.90 1rjw s VAL 37 Cb -0.28 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1rjw s VAL 37 CO 0.36 0.39 -0.25 0.00 0.00 0.00 0.00 175.10 175.60 1rjw h HIS 39 N 4.57 0.00 -0.14 0.00 3.86 -2.01 0.61 115.15 122.04 1rjw h HIS 39 Ca -0.48 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.68 1rjw h HIS 39 Cb 1.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 1rjw h HIS 39 CO 0.51 0.00 -0.15 1.15 0.86 0.00 0.00 177.93 180.31 1rjw h THR 40 N 0.00 1.18 -0.39 2.45 2.02 -1.99 -1.96 112.91 114.21 1rjw h THR 40 Ca 0.37 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1rjw h THR 40 Cb 1.64 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1rjw h THR 40 CO -0.00 0.25 0.01 0.44 0.37 0.00 0.00 175.52 176.58 1rjw h ASP 41 N 0.21 0.58 -0.16 4.18 3.32 -0.15 -1.09 116.42 123.32 1rjw h ASP 41 Ca 0.04 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1rjw h ASP 41 Cb 0.39 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1rjw h ASP 41 CO 0.02 0.65 -0.04 0.25 -1.72 0.00 0.00 179.24 178.40 1rjw h LEU 42 N 0.59 0.31 -1.60 1.55 5.85 -1.34 -0.62 115.31 120.04 1rjw h LEU 42 Ca 0.12 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1rjw h LEU 42 Cb 0.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1rjw h LEU 42 CO 0.01 0.61 -0.22 0.45 -0.34 0.00 0.00 178.44 178.95 1rjw h HIS 43 N 0.01 0.00 -0.14 1.25 3.86 -1.22 -1.20 115.15 117.71 1rjw h HIS 43 Ca 0.04 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1rjw h HIS 43 Cb 0.47 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1rjw h HIS 43 CO 0.05 0.22 -0.21 0.00 0.86 0.00 0.00 177.93 178.85 1rjw h ALA 44 N 1.78 0.21 -0.23 2.45 0.00 -0.95 0.65 119.26 123.18 1rjw h ALA 44 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1rjw h ALA 44 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1rjw h ALA 44 CO 0.03 0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.55 1rjw h ALA 45 N 0.57 1.78 -0.01 0.00 0.00 -0.45 -1.80 119.26 119.35 1rjw h ALA 45 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rjw h ALA 45 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rjw h ALA 45 CO 0.05 0.19 -0.51 0.72 0.00 0.00 0.00 179.25 179.70 1rjw n HIS 46 N -4.47 0.00 -3.73 0.00 8.25 -0.52 -1.80 115.22 112.95 1rjw n HIS 46 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.18 1rjw n HIS 46 Cb 0.10 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 1rjw n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rjw n GLY 47 N 1.43 -0.48 0.65 -1.41 0.00 0.21 -4.41 105.19 101.17 1rjw n GLY 47 Ca 0.08 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1rjw n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rjw n ASP 48 N -2.49 1.82 -4.83 1.61 5.68 -1.13 -4.90 116.55 112.32 1rjw n ASP 48 Ca 0.03 -2.10 -0.24 0.00 -0.50 0.00 0.00 54.79 51.98 1rjw n ASP 48 Cb 0.52 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 40.16 1rjw n ASP 48 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1rjw s TRP 49 N -1.64 3.18 0.19 2.11 0.51 -1.26 -5.03 118.94 117.00 1rjw s TRP 49 Ca 0.19 -0.05 -0.14 0.00 -2.12 0.00 0.00 56.10 53.99 1rjw s TRP 49 Cb 0.11 -1.48 0.19 0.00 -0.81 0.00 0.00 33.47 31.48 1rjw s TRP 49 CO 0.11 0.51 1.69 -1.00 -0.51 0.00 0.00 176.95 177.75 1rjw h PRO 50 N 1.92 0.12 -4.72 4.98 0.13 -2.01 -3.30 132.00 129.12 1rjw h PRO 50 Ca -0.48 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 63.94 1rjw h PRO 50 Cb 1.22 -0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 1rjw h PRO 50 CO 0.62 0.08 0.05 0.08 -0.23 0.00 0.00 178.00 178.60 1rjw s VAL 51 N -6.17 4.88 0.40 1.56 1.01 -1.26 -5.05 120.40 115.78 1rjw s VAL 51 Ca -0.13 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1rjw s VAL 51 Cb 0.16 -4.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1rjw s VAL 51 CO 0.72 -0.98 0.98 -0.54 0.00 0.00 0.00 175.10 175.28 1rjw s LYS 52 N 2.55 4.27 0.99 2.72 1.02 -1.25 -5.05 119.74 124.99 1rjw s LYS 52 Ca 0.12 1.28 -0.14 0.00 0.02 0.00 0.00 55.97 57.24 1rjw s LYS 52 Cb -0.23 -2.42 0.18 0.00 -0.52 0.00 0.00 37.83 34.85 1rjw s LYS 52 CO 0.08 -0.01 1.15 -1.25 -0.92 0.00 0.00 175.35 174.40 1rjw s PRO 53 N -2.73 0.50 0.53 -1.68 0.04 -1.26 -5.02 135.00 125.37 1rjw s PRO 53 Ca 0.58 0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1rjw s PRO 53 Cb -0.15 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1rjw s PRO 53 CO 0.20 -2.61 0.94 -1.59 0.04 0.00 0.00 177.00 173.97 1rjw s LYS 54 N -5.33 3.76 -0.01 4.56 0.00 -1.03 -5.04 119.74 116.64 1rjw s LYS 54 Ca 0.67 0.71 0.02 0.00 0.00 0.00 0.00 55.97 57.37 1rjw s LYS 54 Cb -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 37.83 35.51 1rjw s LYS 54 CO 0.54 -0.32 -0.05 -0.51 0.00 0.00 0.00 175.35 175.01 1rjw s LEU 55 N -4.47 1.83 1.07 2.77 1.43 -1.26 -3.99 118.68 116.07 1rjw s LEU 55 Ca 0.55 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1rjw s LEU 55 Cb -0.10 -0.34 0.23 0.00 0.03 0.00 0.00 46.19 46.01 1rjw s LEU 55 CO 0.40 0.04 1.06 -2.84 0.23 0.00 0.00 176.35 175.25 1rjw s PRO 56 N 0.13 -0.22 -0.12 1.29 0.02 -1.26 -5.13 135.00 129.71 1rjw s PRO 56 Ca -0.01 1.00 -0.06 0.00 0.02 0.00 0.00 61.00 61.94 1rjw s PRO 56 Cb -0.05 -1.62 0.05 0.00 0.02 0.00 0.00 34.50 32.89 1rjw s PRO 56 CO -0.00 -3.30 0.29 -1.17 -0.33 0.00 0.00 177.00 172.49 1rjw s LEU 57 N -6.96 0.27 -0.43 -5.54 1.98 -0.40 -4.96 118.68 102.65 1rjw s LEU 57 Ca 0.67 0.63 -0.16 0.00 -2.89 0.00 0.00 54.13 52.38 1rjw s LEU 57 Cb -0.24 0.91 0.03 0.00 0.66 0.00 0.00 46.19 47.56 1rjw s LEU 57 CO 0.62 -0.17 0.37 -0.63 -1.89 0.00 0.00 176.35 174.65 1rjw s ILE 58 N 1.30 5.19 0.92 6.68 1.01 -1.26 -0.53 121.20 134.51 1rjw s ILE 58 Ca -0.09 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 1rjw s ILE 58 Cb -0.10 -4.02 0.23 0.00 0.01 0.00 0.00 42.46 38.58 1rjw s ILE 58 CO -0.10 -0.42 0.88 -2.65 0.00 0.00 0.00 174.94 172.65 1rjw n PRO 59 N 5.34 -2.39 0.00 2.79 -0.02 -1.26 0.61 135.00 140.07 1rjw n PRO 59 Ca -0.10 -1.40 0.00 0.00 -2.02 0.00 0.00 63.50 59.99 1rjw n PRO 59 Cb 0.46 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1rjw n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjw n GLY 60 N -2.91 1.46 0.36 -1.23 0.00 -1.26 -1.53 105.19 100.09 1rjw n GLY 60 Ca 0.12 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 45.15 1rjw n GLY 60 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1rjw n HIS 61 N 2.22 0.00 -2.07 1.61 1.44 -1.26 -1.27 115.22 115.90 1rjw n HIS 61 Ca 0.00 -0.70 -0.04 0.00 -2.01 0.00 0.00 57.72 54.97 1rjw n HIS 61 Cb 0.00 -0.13 0.10 0.00 0.12 0.00 0.00 29.99 30.08 1rjw n HIS 61 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1rjw n GLU 62 N -0.82 1.89 -2.93 -1.40 1.02 -1.26 -3.60 120.64 113.54 1rjw n GLU 62 Ca 0.11 -3.34 -0.41 0.00 -0.02 0.00 0.00 57.16 53.50 1rjw n GLU 62 Cb 0.70 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 1rjw n GLU 62 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rjw s GLY 63 N -3.19 2.49 0.01 0.62 0.00 -1.25 -1.67 107.32 104.32 1rjw s GLY 63 Ca 0.39 0.17 0.06 0.00 0.00 0.00 0.00 44.72 45.34 1rjw s GLY 63 CO -0.05 1.44 -0.20 -1.34 0.00 0.00 0.00 173.10 172.95 1rjw s VAL 64 N 1.32 1.57 0.00 1.40 -7.23 0.05 -0.49 120.40 117.01 1rjw s VAL 64 Ca 0.40 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1rjw s VAL 64 Cb -0.18 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1rjw s VAL 64 CO 0.18 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 1rjw n GLY 65 N 2.31 1.90 3.31 2.32 0.00 0.36 -0.78 105.19 114.61 1rjw n GLY 65 Ca -0.16 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1rjw n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjw s ILE 66 N -1.57 2.21 -0.15 -0.61 1.01 -0.33 -1.47 121.20 120.29 1rjw s ILE 66 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 1rjw s ILE 66 Cb 0.00 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1rjw s ILE 66 CO 0.00 0.58 1.59 -0.69 0.00 0.00 0.00 174.94 176.41 1rjw s VAL 67 N -0.39 3.72 -0.04 2.92 1.01 -0.35 -0.54 120.40 126.73 1rjw s VAL 67 Ca 0.03 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 62.79 1rjw s VAL 67 Cb -0.12 -3.64 -0.29 0.00 0.00 0.00 0.00 36.38 32.33 1rjw s VAL 67 CO 0.02 -0.18 0.68 -0.33 0.00 0.00 0.00 175.10 175.28 1rjw h GLU 68 N 9.95 0.33 -2.49 2.72 4.39 -1.39 0.07 114.58 128.15 1rjw h GLU 68 Ca -0.35 -0.56 -0.07 0.00 0.34 0.00 0.00 59.36 58.72 1rjw h GLU 68 Cb 1.16 0.21 -0.18 0.00 -0.10 0.00 0.00 28.75 29.84 1rjw h GLU 68 CO 0.98 1.23 0.05 -1.83 -1.16 0.00 0.00 179.01 178.28 1rjw s GLU 69 N -2.59 0.99 0.08 2.33 -1.05 -1.22 -4.85 118.70 112.40 1rjw s GLU 69 Ca -0.15 -0.02 0.06 0.00 -0.15 0.00 0.00 54.97 54.71 1rjw s GLU 69 Cb 0.06 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1rjw s GLU 69 CO 0.84 -0.33 -0.09 0.14 0.95 0.00 0.00 175.26 176.77 1rjw s VAL 70 N -1.76 3.42 0.62 1.83 -7.23 -1.26 -1.18 120.40 114.84 1rjw s VAL 70 Ca -0.09 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1rjw s VAL 70 Cb -0.01 -2.57 0.08 0.00 0.56 0.00 0.00 36.38 34.43 1rjw s VAL 70 CO 0.04 0.18 0.86 -0.83 -0.31 0.00 0.00 175.10 175.04 1rjw s GLY 71 N -2.02 1.79 0.33 2.32 0.00 0.46 -4.98 107.32 105.21 1rjw s GLY 71 Ca 0.20 -1.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.02 1rjw s GLY 71 CO 0.12 -1.19 1.54 -1.05 0.00 0.00 0.00 173.10 172.52 1rjw n PRO 72 N -2.52 2.65 -0.33 2.90 -0.02 -1.26 -3.00 135.00 133.42 1rjw n PRO 72 Ca 0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1rjw n PRO 72 Cb 0.60 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1rjw n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjw n GLY 73 N 1.46 1.17 3.56 -1.23 0.00 -1.26 -1.53 105.19 107.36 1rjw n GLY 73 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1rjw n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjw s VAL 74 N -2.90 5.10 -0.15 1.61 1.01 -1.16 -4.83 120.40 119.08 1rjw s VAL 74 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1rjw s VAL 74 Cb 0.00 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1rjw s VAL 74 CO 0.00 -0.12 0.25 0.35 0.00 0.00 0.00 175.10 175.58 1rjw n THR 75 N 5.31 0.00 1.10 3.92 -2.24 -1.26 -4.65 114.28 116.45 1rjw n THR 75 Ca -0.07 -0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1rjw n THR 75 Cb 0.49 0.57 0.22 0.00 -2.10 0.00 0.00 70.33 69.51 1rjw n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjw n HIS 76 N -1.56 0.00 -4.75 4.78 1.44 -1.26 -4.90 115.22 108.97 1rjw n HIS 76 Ca -0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1rjw n HIS 76 Cb 0.18 -0.13 -0.14 0.00 0.12 0.00 0.00 29.99 30.02 1rjw n HIS 76 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1rjw s LEU 77 N -2.72 2.19 0.13 2.39 1.43 -1.26 -5.14 118.68 115.70 1rjw s LEU 77 Ca 0.17 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1rjw s LEU 77 Cb 0.18 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1rjw s LEU 77 CO 0.63 0.22 -0.07 -1.59 0.23 0.00 0.00 176.35 175.76 1rjw s LYS 78 N -1.36 0.98 0.15 1.70 -2.85 -1.26 -4.96 119.74 112.14 1rjw s LYS 78 Ca 0.11 -1.42 -0.33 0.00 -1.00 0.00 0.00 55.97 53.33 1rjw s LYS 78 Cb -0.10 -0.40 -0.12 0.00 -2.06 0.00 0.00 37.83 35.14 1rjw s LYS 78 CO 0.03 0.01 1.70 0.28 0.10 0.00 0.00 175.35 177.46 1rjw n VAL 79 N -0.14 0.11 0.00 1.79 0.31 -1.26 -1.62 118.33 117.51 1rjw n VAL 79 Ca -0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1rjw n VAL 79 Cb 0.61 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1rjw n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rjw n GLY 80 N 3.83 1.56 3.77 2.92 0.00 0.01 -4.99 105.19 112.30 1rjw n GLY 80 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rjw n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rjw s ASP 81 N -1.63 6.58 -0.33 1.61 1.01 -0.64 -4.65 116.67 118.63 1rjw s ASP 81 Ca 0.00 2.84 -0.18 0.00 0.71 0.00 0.00 52.55 55.92 1rjw s ASP 81 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1rjw s ASP 81 CO 0.00 -0.69 0.53 -0.13 0.21 0.00 0.00 175.17 175.09 1rjw s ARG 82 N -1.79 3.75 0.29 8.23 0.52 -1.26 -1.21 118.95 127.48 1rjw s ARG 82 Ca 0.51 -0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 1rjw s ARG 82 Cb -0.43 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1rjw s ARG 82 CO 0.56 -0.58 0.17 0.14 0.02 0.00 0.00 175.30 175.62 1rjw s VAL 83 N 2.42 0.20 0.10 3.52 -7.23 -0.54 -0.78 120.40 118.09 1rjw s VAL 83 Ca 0.20 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1rjw s VAL 83 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1rjw s VAL 83 CO 0.12 0.00 -0.11 -0.83 -0.31 0.00 0.00 175.10 173.98 1rjw s GLY 84 N -3.33 0.89 -0.35 2.32 0.00 -0.31 -0.49 107.32 106.05 1rjw s GLY 84 Ca 0.37 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1rjw s GLY 84 CO 0.18 -1.30 0.08 -0.42 0.00 0.00 0.00 173.10 171.64 1rjw s ILE 85 N -2.48 2.63 0.84 0.90 1.01 0.35 -1.98 121.20 122.48 1rjw s ILE 85 Ca 0.07 -2.12 -0.14 0.00 0.00 0.00 0.00 60.65 58.46 1rjw s ILE 85 Cb -0.03 -2.82 0.19 0.00 0.01 0.00 0.00 42.46 39.81 1rjw s ILE 85 CO 0.00 -0.53 1.13 -0.81 0.00 0.00 0.00 174.94 174.73 1rjw n PRO 86 N 4.40 -1.18 -0.29 2.79 -0.04 -1.26 -3.88 135.00 135.55 1rjw n PRO 86 Ca -0.01 -1.74 0.05 0.00 -0.04 0.00 0.00 63.50 61.76 1rjw n PRO 86 Cb 0.42 -1.18 0.20 0.00 -0.04 0.00 0.00 33.50 32.90 1rjw n PRO 86 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1rjw h TRP 87 N -1.69 0.77 -1.00 0.54 2.91 -1.80 -3.24 115.95 112.44 1rjw h TRP 87 Ca -0.37 0.03 -0.65 0.00 1.13 0.00 0.00 58.89 59.03 1rjw h TRP 87 Cb 1.01 -0.22 -0.09 0.00 -0.51 0.00 0.00 29.16 29.35 1rjw h TRP 87 CO 0.00 0.23 1.92 -1.17 -1.03 0.00 0.00 178.44 178.39 1rjw s LEU 88 N -10.34 3.76 0.19 0.65 1.98 -1.26 -1.80 118.68 111.86 1rjw s LEU 88 Ca -0.12 -2.11 -0.11 0.00 -2.89 0.00 0.00 54.13 48.90 1rjw s LEU 88 Cb 0.21 -2.57 0.11 0.00 0.66 0.00 0.00 46.19 44.60 1rjw s LEU 88 CO 0.78 -1.28 1.81 0.22 -1.89 0.00 0.00 176.35 175.98 1rjw h TYR 89 N 8.36 0.92 -2.02 5.38 3.20 -1.20 -3.46 116.97 128.15 1rjw h TYR 89 Ca 0.36 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.27 1rjw h TYR 89 Cb 0.92 -0.29 -0.18 0.00 1.54 0.00 0.00 36.73 38.71 1rjw h TYR 89 CO 1.37 0.65 0.46 -1.54 -1.64 0.00 0.00 178.16 177.46 1rjw s SER 90 N -5.98 -0.42 0.25 -2.11 1.04 -1.07 -4.40 113.70 101.01 1rjw s SER 90 Ca -0.13 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1rjw s SER 90 Cb 0.14 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1rjw s SER 90 CO 0.79 -0.54 0.10 0.00 0.98 0.00 0.00 173.24 174.57 1rjw s ALA 91 N -2.19 1.65 0.21 5.32 0.00 -1.26 -0.88 121.76 124.62 1rjw s ALA 91 Ca 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.13 1rjw s ALA 91 Cb -0.01 1.09 0.18 0.00 0.00 0.00 0.00 23.12 24.39 1rjw s ALA 91 CO -0.03 -0.48 1.53 0.00 0.00 0.00 0.00 175.76 176.78 1rjw n GLY 93 N 0.29 0.45 0.00 0.00 0.00 -1.26 -4.84 105.19 99.83 1rjw n GLY 93 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1rjw n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rjw n HIS 94 N -2.90 0.00 -1.59 1.61 8.25 -1.26 -4.73 115.22 114.59 1rjw n HIS 94 Ca -0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1rjw n HIS 94 Cb 0.05 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.28 1rjw n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rjw h ASP 96 N -1.39 0.55 -0.48 0.00 5.19 -1.98 -0.92 116.42 117.39 1rjw h ASP 96 Ca -0.50 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 55.95 1rjw h ASP 96 Cb 1.32 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1rjw h ASP 96 CO 0.62 0.26 0.13 1.88 -3.12 0.00 0.00 179.24 179.02 1rjw h TYR 97 N 0.66 0.80 -0.09 4.55 0.05 -1.92 -2.37 116.97 118.65 1rjw h TYR 97 Ca 0.44 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 59.03 1rjw h TYR 97 Cb 0.56 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1rjw h TYR 97 CO -0.09 0.71 -0.38 0.00 -1.05 0.00 0.00 178.16 177.35 1rjw n LEU 99 N -4.06 0.41 -1.72 0.00 4.77 -0.43 -3.81 117.00 112.16 1rjw n LEU 99 Ca -0.01 0.24 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 1rjw n LEU 99 Cb 0.44 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1rjw n LEU 99 CO 0.41 0.03 0.54 -1.54 -1.33 0.00 0.00 177.39 175.50 1rjw n SER 100 N -1.67 4.44 -3.83 -1.43 3.41 -0.90 -4.98 113.62 108.67 1rjw n SER 100 Ca 0.06 -3.79 -0.27 0.00 -0.26 0.00 0.00 58.87 54.61 1rjw n SER 100 Cb 0.36 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1rjw n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjw n GLY 101 N -0.89 -0.49 2.78 5.00 0.00 -1.22 -4.89 105.19 105.48 1rjw n GLY 101 Ca 0.42 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 1rjw n GLY 101 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rjw n GLN 102 N -4.32 1.59 -0.09 1.61 6.02 0.24 -4.94 117.38 117.50 1rjw n GLN 102 Ca -0.24 -2.87 0.25 0.00 -0.01 0.00 0.00 57.00 54.13 1rjw n GLN 102 Cb 0.65 -1.03 0.72 0.00 1.02 0.00 0.00 30.24 31.60 1rjw n GLN 102 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1rjw h GLU 103 N 2.21 0.00 0.00 -1.09 4.11 -1.83 0.22 114.58 118.19 1rjw h GLU 103 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1rjw h GLU 103 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rjw h GLU 103 CO 0.10 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.43 1rjw n THR 104 N -4.19 1.48 0.72 -1.06 -2.24 -1.26 -1.91 114.28 105.83 1rjw n THR 104 Ca 0.15 0.40 0.08 0.00 -2.27 0.00 0.00 64.05 62.40 1rjw n THR 104 Cb 0.82 -1.29 0.02 0.00 -2.10 0.00 0.00 70.33 67.78 1rjw n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rjw n LEU 105 N -1.57 1.85 -4.65 3.22 4.77 0.06 -5.00 117.00 115.68 1rjw n LEU 105 Ca 0.01 -0.83 -0.51 0.00 -0.03 0.00 0.00 56.01 54.66 1rjw n LEU 105 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1rjw n LEU 105 CO 0.07 0.34 1.13 0.00 -1.33 0.00 0.00 177.39 177.61 1rjw n GLU 107 N 3.79 0.20 -0.61 0.00 1.02 -1.26 -2.61 120.64 121.16 1rjw n GLU 107 Ca 0.20 0.40 0.08 0.00 -0.02 0.00 0.00 57.16 57.82 1rjw n GLU 107 Cb 0.22 -1.86 0.32 0.00 -0.02 0.00 0.00 31.44 30.10 1rjw n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1rjw n HIS 108 N -2.23 1.38 -2.02 -0.32 8.25 -1.26 -5.01 115.22 114.01 1rjw n HIS 108 Ca 0.02 -0.79 -0.33 0.00 -0.26 0.00 0.00 57.72 56.37 1rjw n HIS 108 Cb 0.25 -0.37 0.02 0.00 1.12 0.00 0.00 29.99 31.01 1rjw n HIS 108 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1rjw s GLN 109 N -2.64 3.17 0.06 -0.41 -2.07 -1.07 -4.51 119.66 112.19 1rjw s GLN 109 Ca 0.47 1.36 0.09 0.00 -1.82 0.00 0.00 55.36 55.45 1rjw s GLN 109 Cb 0.36 -2.00 -0.03 0.00 -1.09 0.00 0.00 33.01 30.24 1rjw s GLN 109 CO 0.13 -0.95 -0.23 0.15 -1.32 0.00 0.00 175.29 173.07 1rjw s LYS 110 N -3.88 1.83 -0.11 9.60 1.02 -0.06 -4.97 119.74 123.17 1rjw s LYS 110 Ca 0.67 -1.11 0.02 0.00 0.02 0.00 0.00 55.97 55.57 1rjw s LYS 110 Cb -0.19 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1rjw s LYS 110 CO 0.35 0.51 -0.19 -0.80 -0.92 0.00 0.00 175.35 174.31 1rjw s ASN 111 N -1.47 3.55 0.26 2.83 -0.87 -1.26 -1.24 114.94 116.75 1rjw s ASN 111 Ca 0.13 -0.44 -0.31 0.00 -1.57 0.00 0.00 52.86 50.67 1rjw s ASN 111 Cb -0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.25 39.51 1rjw s ASN 111 CO 0.04 0.16 1.65 0.00 -2.57 0.00 0.00 177.10 176.39 1rjw s ALA 112 N 0.33 3.83 -1.21 0.60 0.00 -0.75 -1.52 121.76 123.04 1rjw s ALA 112 Ca -0.15 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1rjw s ALA 112 Cb -0.17 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1rjw s ALA 112 CO 0.07 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1rjw n GLY 113 N 2.84 0.89 2.05 0.00 0.00 0.12 -4.31 105.19 106.78 1rjw n GLY 113 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1rjw n GLY 113 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rjw n TYR 114 N -3.04 -2.73 0.84 1.61 4.19 -0.94 -4.26 117.16 112.82 1rjw n TYR 114 Ca -0.13 0.63 0.09 0.00 3.31 0.00 0.00 57.90 61.80 1rjw n TYR 114 Cb 0.46 1.30 -0.06 0.00 0.49 0.00 0.00 39.34 41.52 1rjw n TYR 114 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1rjw n SER 115 N -3.33 1.24 -3.84 2.98 3.41 -0.58 -2.47 113.62 111.03 1rjw n SER 115 Ca 0.00 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.38 1rjw n SER 115 Cb 0.00 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 1rjw n SER 115 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rjw s VAL 116 N -2.47 0.10 0.54 -3.33 -7.23 -1.15 -4.83 120.40 102.03 1rjw s VAL 116 Ca 0.10 -0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 59.25 1rjw s VAL 116 Cb 0.14 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 1rjw s VAL 116 CO 0.63 -0.45 1.25 0.47 -0.31 0.00 0.00 175.10 176.69 1rjw n ASP 117 N 0.91 2.17 0.00 4.85 8.00 -1.26 -0.71 116.55 130.52 1rjw n ASP 117 Ca -0.20 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.25 1rjw n ASP 117 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1rjw n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjw n GLY 118 N 0.90 3.85 0.47 0.44 0.00 0.20 -3.99 105.19 107.07 1rjw n GLY 118 Ca 0.11 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.37 1rjw n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjw n GLY 119 N 5.00 0.13 2.22 -0.02 0.00 -0.39 -4.46 105.19 107.67 1rjw n GLY 119 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1rjw n GLY 119 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rjw n TYR 120 N 0.18 1.32 -3.82 1.61 4.02 -0.58 -4.73 117.16 115.16 1rjw n TYR 120 Ca 0.14 -2.26 -0.06 0.00 -0.01 0.00 0.00 57.90 55.71 1rjw n TYR 120 Cb 0.27 -1.92 -0.01 0.00 -0.02 0.00 0.00 39.34 37.66 1rjw n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rjw s ALA 121 N 0.88 -1.31 0.20 -0.72 0.00 -1.26 -1.45 121.76 118.09 1rjw s ALA 121 Ca 0.66 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.43 1rjw s ALA 121 Cb 0.26 0.75 0.10 0.00 0.00 0.00 0.00 23.12 24.23 1rjw s ALA 121 CO -0.06 -1.04 1.45 0.93 0.00 0.00 0.00 175.76 177.05 1rjw h GLU 122 N 2.00 0.13 -5.21 0.00 5.08 -1.77 -3.40 114.58 111.41 1rjw h GLU 122 Ca -0.23 -0.13 -0.38 0.00 -1.00 0.00 0.00 59.36 57.63 1rjw h GLU 122 Cb 1.24 0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.33 1rjw h GLU 122 CO 0.27 0.85 -0.75 0.71 -1.00 0.00 0.00 179.01 179.09 1rjw s TYR 123 N -3.34 1.21 -0.16 4.33 2.02 -1.26 -0.57 117.35 119.59 1rjw s TYR 123 Ca -0.02 -0.57 -0.08 0.00 -0.37 0.00 0.00 57.07 56.03 1rjw s TYR 123 Cb 0.11 -0.66 0.06 0.00 -0.40 0.00 0.00 41.96 41.08 1rjw s TYR 123 CO 0.81 0.07 0.37 0.00 -1.57 0.00 0.00 175.55 175.22 1rjw s ARG 125 N 1.62 4.56 0.10 0.00 3.52 -1.26 -1.73 118.95 125.75 1rjw s ARG 125 Ca -0.08 1.32 0.04 0.00 -0.13 0.00 0.00 55.73 56.89 1rjw s ARG 125 Cb -0.09 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1rjw s ARG 125 CO -0.12 0.02 -0.10 0.00 -0.81 0.00 0.00 175.30 174.29 1rjw s ALA 126 N 0.80 1.15 -0.35 6.12 0.00 -0.59 -4.98 121.76 123.92 1rjw s ALA 126 Ca 0.49 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.94 1rjw s ALA 126 Cb -0.21 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1rjw s ALA 126 CO 0.26 -0.05 1.00 0.00 0.00 0.00 0.00 175.76 176.98 1rjw s ALA 127 N -2.60 3.44 0.26 0.00 0.00 -1.26 -1.25 121.76 120.35 1rjw s ALA 127 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1rjw s ALA 127 Cb -0.02 -3.61 0.58 0.00 0.00 0.00 0.00 23.12 20.06 1rjw s ALA 127 CO -0.00 -1.56 1.68 0.00 0.00 0.00 0.00 175.76 175.87 1rjw h ALA 128 N 8.31 1.12 0.00 0.00 0.00 -1.39 -1.04 119.26 126.27 1rjw h ALA 128 Ca -0.22 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rjw h ALA 128 Cb 1.07 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1rjw h ALA 128 CO 1.01 -0.37 0.00 -0.44 0.00 0.00 0.00 179.25 179.45 1rjw h ASP 129 N 0.28 0.00 -0.11 0.00 3.32 -1.92 -3.12 116.42 114.87 1rjw h ASP 129 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1rjw h ASP 129 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1rjw h ASP 129 CO -0.56 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.74 1rjw n TYR 130 N -2.74 0.13 -2.58 4.55 4.02 -0.40 -4.97 117.16 115.16 1rjw n TYR 130 Ca -0.00 -0.12 -0.30 0.00 -0.01 0.00 0.00 57.90 57.46 1rjw n TYR 130 Cb 0.19 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1rjw n TYR 130 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1rjw s VAL 131 N -1.03 4.73 -0.05 -0.72 -7.23 -1.15 -4.65 120.40 110.30 1rjw s VAL 131 Ca 0.17 0.74 0.05 0.00 -1.81 0.00 0.00 61.98 61.14 1rjw s VAL 131 Cb 0.11 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 1rjw s VAL 131 CO 0.16 -0.70 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.35 1rjw s VAL 132 N -2.60 1.77 0.47 1.32 1.01 -0.84 -4.94 120.40 116.59 1rjw s VAL 132 Ca 0.53 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1rjw s VAL 132 Cb -0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 1rjw s VAL 132 CO 0.36 0.50 1.15 -0.54 0.00 0.00 0.00 175.10 176.57 1rjw s LYS 133 N -0.12 3.74 -0.22 2.72 1.02 -1.26 -1.17 119.74 124.45 1rjw s LYS 133 Ca -0.02 1.74 -0.08 0.00 0.02 0.00 0.00 55.97 57.62 1rjw s LYS 133 Cb -0.12 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1rjw s LYS 133 CO 0.03 -0.56 0.10 0.42 -0.92 0.00 0.00 175.35 174.42 1rjw s ILE 134 N -1.58 4.88 0.36 2.17 1.01 0.04 -4.89 121.20 123.18 1rjw s ILE 134 Ca 0.64 0.01 -0.25 0.00 0.00 0.00 0.00 60.65 61.05 1rjw s ILE 134 Cb -0.27 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 1rjw s ILE 134 CO 0.33 0.39 0.83 -2.65 0.00 0.00 0.00 174.94 173.84 1rjw n PRO 135 N 4.11 0.99 -0.32 2.79 -0.02 -1.26 -4.85 135.00 136.44 1rjw n PRO 135 Ca -0.16 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 1rjw n PRO 135 Cb 0.52 -1.72 0.21 0.00 -0.02 0.00 0.00 33.50 32.50 1rjw n PRO 135 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rjw h ASP 136 N 1.42 0.76 -0.51 2.55 3.32 -1.98 -2.48 116.42 119.49 1rjw h ASP 136 Ca -0.40 0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.50 1rjw h ASP 136 Cb 1.37 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.71 1rjw h ASP 136 CO 0.56 0.39 0.26 -0.46 -1.72 0.00 0.00 179.24 178.28 1rjw n ASN 137 N -4.72 3.58 -4.08 6.45 6.94 -1.26 -4.81 115.26 117.36 1rjw n ASN 137 Ca 0.17 -2.83 -0.31 0.00 -0.02 0.00 0.00 54.58 51.59 1rjw n ASN 137 Cb 0.35 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.93 1rjw n ASN 137 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1rjw s LEU 138 N -1.86 1.88 0.63 -4.53 2.96 -0.94 -4.94 118.68 111.88 1rjw s LEU 138 Ca 0.34 -0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 1rjw s LEU 138 Cb 0.27 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 1rjw s LEU 138 CO 0.08 0.01 1.08 -0.94 -1.32 0.00 0.00 176.35 175.25 1rjw s SER 139 N 1.16 5.46 0.29 3.68 1.04 -1.26 -4.84 113.70 119.24 1rjw s SER 139 Ca -0.01 1.86 0.02 0.00 0.48 0.00 0.00 55.95 58.29 1rjw s SER 139 Cb -0.14 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 64.00 1rjw s SER 139 CO -0.07 -1.39 1.86 -0.26 0.98 0.00 0.00 173.24 174.37 1rjw h PHE 140 N 0.11 1.10 -0.60 5.02 0.04 -1.97 -0.22 116.94 120.41 1rjw h PHE 140 Ca -0.46 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.30 1rjw h PHE 140 Cb 1.23 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 39.00 1rjw h PHE 140 CO 0.58 0.48 0.22 0.93 -0.60 0.00 0.00 178.31 179.92 1rjw h GLU 141 N 1.00 0.91 -0.13 1.51 3.07 -1.95 -1.19 114.58 117.81 1rjw h GLU 141 Ca 0.46 -0.18 -0.17 0.00 -0.50 0.00 0.00 59.36 58.97 1rjw h GLU 141 Cb 0.40 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1rjw h GLU 141 CO -0.22 0.79 -0.64 0.93 -1.40 0.00 0.00 179.01 178.48 1rjw h GLU 142 N 0.84 0.47 -0.13 2.33 5.08 -1.76 -3.31 114.58 118.10 1rjw h GLU 142 Ca 0.20 -0.34 -0.22 0.00 -1.00 0.00 0.00 59.36 57.99 1rjw h GLU 142 Cb 0.24 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1rjw h GLU 142 CO -0.01 0.96 -0.79 0.00 -1.00 0.00 0.00 179.01 178.16 1rjw h ALA 143 N 0.96 0.34 -0.65 3.43 0.00 -0.87 -3.38 119.26 119.08 1rjw h ALA 143 Ca -0.01 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.39 1rjw h ALA 143 Cb 1.20 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1rjw h ALA 143 CO 0.11 0.70 -0.40 0.00 0.00 0.00 0.00 179.25 179.66 1rjw h ALA 144 N 0.60 -0.17 0.00 0.00 0.00 -1.31 -0.59 119.26 117.79 1rjw h ALA 144 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rjw h ALA 144 Cb 1.42 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1rjw h ALA 144 CO 0.16 -0.75 0.00 -0.35 0.00 0.00 0.00 179.25 178.31 1rjw n PRO 145 N -5.42 0.05 0.08 0.00 -0.04 -1.26 -2.10 135.00 126.31 1rjw n PRO 145 Ca 0.04 0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 63.85 1rjw n PRO 145 Cb 0.36 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 1rjw n PRO 145 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1rjw h ILE 146 N 0.00 1.56 0.00 0.52 1.08 -1.30 -2.28 117.51 117.09 1rjw h ILE 146 Ca 0.00 -3.19 0.00 0.00 -0.39 0.00 0.00 64.86 61.28 1rjw h ILE 146 Cb 0.17 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1rjw h ILE 146 CO 0.00 0.89 0.00 0.49 -0.69 0.00 0.00 178.15 178.84 1rjw n PHE 147 N -3.33 0.05 0.01 1.37 3.01 -0.89 -1.30 117.46 116.37 1rjw n PHE 147 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1rjw n PHE 147 Cb 0.90 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1rjw n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rjw h ALA 149 N 0.00 -0.35 0.46 0.00 0.00 -1.69 -0.36 119.26 117.32 1rjw h ALA 149 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rjw h ALA 149 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rjw h ALA 149 CO 0.00 -0.71 -0.39 0.78 0.00 0.00 0.00 179.25 178.93 1rjw h GLY 150 N -0.37 -0.97 1.20 0.00 0.00 -1.42 -1.61 103.07 99.89 1rjw h GLY 150 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1rjw h GLY 150 CO 0.00 -0.33 0.52 -0.24 0.00 0.00 0.00 176.54 176.49 1rjw h VAL 151 N -0.85 1.21 0.06 4.60 3.04 -1.22 -1.22 116.25 121.87 1rjw h VAL 151 Ca -0.05 -0.41 0.02 0.00 -1.01 0.00 0.00 66.70 65.25 1rjw h VAL 151 Cb 0.74 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1rjw h VAL 151 CO -0.02 0.21 -0.15 0.74 -1.01 0.00 0.00 177.57 177.34 1rjw h THR 152 N 1.10 0.65 -0.37 3.17 2.02 -0.77 0.23 112.91 118.94 1rjw h THR 152 Ca 0.30 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.37 1rjw h THR 152 Cb -0.11 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1rjw h THR 152 CO -0.06 0.00 -0.21 0.71 0.37 0.00 0.00 175.52 176.33 1rjw h THR 153 N -0.28 1.27 -0.17 3.16 1.35 -1.06 -1.30 112.91 115.88 1rjw h THR 153 Ca 0.03 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 1rjw h THR 153 Cb 0.31 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1rjw h THR 153 CO -0.10 0.43 0.08 0.22 -0.25 0.00 0.00 175.52 175.90 1rjw h TYR 154 N 0.63 0.24 -0.59 4.73 3.20 -0.97 -1.58 116.97 122.64 1rjw h TYR 154 Ca 0.09 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1rjw h TYR 154 Cb 0.70 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1rjw h TYR 154 CO 0.03 0.26 0.13 -0.22 -1.64 0.00 0.00 178.16 176.72 1rjw h LYS 155 N 0.15 0.95 -0.87 1.82 1.63 -0.90 -2.20 116.57 117.15 1rjw h LYS 155 Ca 0.06 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 59.68 1rjw h LYS 155 Cb 0.11 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 1rjw h LYS 155 CO -0.01 0.89 0.57 0.00 -3.45 0.00 0.00 179.45 177.45 1rjw h ALA 156 N 1.02 1.54 -0.19 5.00 0.00 -1.03 0.12 119.26 125.71 1rjw h ALA 156 Ca 0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1rjw h ALA 156 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rjw h ALA 156 CO 0.01 0.34 -0.48 -0.07 0.00 0.00 0.00 179.25 179.05 1rjw h LEU 157 N 0.99 0.54 -0.62 0.00 3.38 -0.96 -2.51 115.31 116.14 1rjw h LEU 157 Ca 0.37 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1rjw h LEU 157 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1rjw h LEU 157 CO -0.13 0.94 -0.08 0.11 0.09 0.00 0.00 178.44 179.36 1rjw h LYS 158 N 0.40 1.00 0.00 1.13 1.57 -0.54 -2.87 116.57 117.27 1rjw h LYS 158 Ca 0.02 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1rjw h LYS 158 Cb 0.98 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1rjw h LYS 158 CO 0.09 1.03 -0.06 0.28 -0.57 0.00 0.00 179.45 180.22 1rjw h VAL 159 N 0.90 0.88 -0.08 0.50 2.07 -0.58 -1.80 116.25 118.14 1rjw h VAL 159 Ca 0.15 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1rjw h VAL 159 Cb 0.64 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1rjw h VAL 159 CO 0.04 0.06 -0.18 0.71 0.02 0.00 0.00 177.57 178.23 1rjw h THR 160 N 0.00 1.17 0.00 2.57 1.35 -1.21 -3.46 112.91 113.33 1rjw h THR 160 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1rjw h THR 160 Cb 0.12 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1rjw h THR 160 CO 0.01 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1rjw n GLY 161 N -0.88 0.74 3.73 5.82 0.00 -0.68 -4.74 105.19 109.18 1rjw n GLY 161 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1rjw n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjw s ALA 162 N -2.79 3.63 0.28 4.61 0.00 -1.26 -5.02 121.76 121.21 1rjw s ALA 162 Ca 0.00 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.24 1rjw s ALA 162 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1rjw s ALA 162 CO 0.00 -0.66 0.28 -1.59 0.00 0.00 0.00 175.76 173.79 1rjw s LYS 163 N 0.63 2.96 0.14 0.00 -2.85 -1.26 -4.99 119.74 114.37 1rjw s LYS 163 Ca 0.64 -1.08 -0.34 0.00 -1.00 0.00 0.00 55.97 54.19 1rjw s LYS 163 Cb -0.39 -2.61 -0.17 0.00 -2.06 0.00 0.00 37.83 32.60 1rjw s LYS 163 CO 0.34 0.28 1.11 -2.30 0.10 0.00 0.00 175.35 174.88 1rjw n PRO 164 N -1.32 0.88 0.00 1.78 -0.02 -1.26 -1.48 135.00 133.58 1rjw n PRO 164 Ca -0.05 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1rjw n PRO 164 Cb 0.58 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1rjw n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjw n GLY 165 N 1.99 3.29 3.90 -1.23 0.00 0.71 -4.96 105.19 108.89 1rjw n GLY 165 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1rjw n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rjw s GLU 166 N -0.66 3.27 -0.10 1.61 2.02 -0.55 -4.71 118.70 119.58 1rjw s GLU 166 Ca 0.00 0.25 -0.09 0.00 0.02 0.00 0.00 54.97 55.15 1rjw s GLU 166 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1rjw s GLU 166 CO 0.00 -0.52 0.19 -1.58 0.02 0.00 0.00 175.26 173.37 1rjw s TRP 167 N -2.96 3.62 0.00 1.61 0.52 -1.26 -1.52 118.94 118.95 1rjw s TRP 167 Ca 0.52 0.62 0.03 0.00 0.02 0.00 0.00 56.10 57.28 1rjw s TRP 167 Cb -0.11 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1rjw s TRP 167 CO 0.47 0.70 -0.08 0.54 0.02 0.00 0.00 176.95 178.60 1rjw s VAL 168 N -0.98 0.64 -0.18 4.03 0.11 -0.59 0.31 120.40 123.74 1rjw s VAL 168 Ca 0.17 -0.45 -0.08 0.00 -2.93 0.00 0.00 61.98 58.69 1rjw s VAL 168 Cb -0.13 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1rjw s VAL 168 CO 0.06 0.11 0.10 0.00 -3.33 0.00 0.00 175.10 172.04 1rjw s ALA 169 N -0.34 3.61 -0.32 1.54 0.00 -0.00 -1.64 121.76 124.60 1rjw s ALA 169 Ca 0.02 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 1rjw s ALA 169 Cb -0.04 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1rjw s ALA 169 CO -0.00 0.25 0.08 0.42 0.00 0.00 0.00 175.76 176.51 1rjw s ILE 170 N 0.11 3.74 -0.35 0.00 -1.09 -0.29 -0.66 121.20 122.66 1rjw s ILE 170 Ca 0.08 -1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 57.27 1rjw s ILE 170 Cb -0.12 -3.06 -0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1rjw s ILE 170 CO -0.00 -0.09 0.60 -0.31 -1.23 0.00 0.00 174.94 173.91 1rjw s TYR 171 N 1.42 3.17 0.00 3.97 1.51 -0.45 -0.99 117.35 125.98 1rjw s TYR 171 Ca -0.01 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 1rjw s TYR 171 Cb -0.19 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 1rjw s TYR 171 CO 0.02 -0.59 0.00 0.41 -1.11 0.00 0.00 175.55 174.29 1rjw n GLY 172 N 4.68 -0.69 2.85 0.71 0.00 0.95 -2.04 105.19 111.64 1rjw n GLY 172 Ca -0.02 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1rjw n GLY 172 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rjw n ILE 173 N 1.36 5.16 0.00 -0.61 2.08 -1.26 -3.67 119.36 122.42 1rjw n ILE 173 Ca 0.00 -5.87 0.00 0.00 0.56 0.00 0.00 62.75 57.44 1rjw n ILE 173 Cb 0.00 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1rjw n ILE 173 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1rjw n GLY 174 N 0.85 4.27 0.39 7.39 0.00 -1.26 -4.44 105.19 112.39 1rjw n GLY 174 Ca 0.32 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1rjw n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rjw h GLY 175 N 0.00 -0.54 0.38 -0.02 0.00 -1.92 -1.58 103.07 99.40 1rjw h GLY 175 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 47.33 47.76 1rjw h GLY 175 CO 0.00 -0.18 -0.55 1.41 0.00 0.00 0.00 176.54 177.23 1rjw h LEU 176 N -0.31 0.26 -0.86 3.11 4.07 -1.93 -3.39 115.31 116.27 1rjw h LEU 176 Ca 0.15 -0.95 0.15 0.00 0.08 0.00 0.00 57.88 57.30 1rjw h LEU 176 Cb 0.58 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.14 1rjw h LEU 176 CO -0.60 1.26 0.45 1.23 -1.08 0.00 0.00 178.44 179.70 1rjw h GLY 177 N -0.62 1.40 2.00 0.83 0.00 -1.61 -0.28 103.07 104.80 1rjw h GLY 177 Ca -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1rjw h GLY 177 CO 0.07 -0.03 -0.05 1.12 0.00 0.00 0.00 176.54 177.65 1rjw h HIS 178 N 0.64 0.00 0.09 5.60 2.07 -1.47 -1.93 115.15 120.14 1rjw h HIS 178 Ca 0.47 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.69 1rjw h HIS 178 Cb 0.66 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.62 1rjw h HIS 178 CO -0.09 0.05 -1.58 0.28 -3.07 0.00 0.00 177.93 173.52 1rjw h VAL 179 N 0.00 1.07 -0.74 6.12 2.07 -1.36 -3.31 116.25 120.10 1rjw h VAL 179 Ca -0.00 -2.77 -0.00 0.00 0.82 0.00 0.00 66.70 64.74 1rjw h VAL 179 Cb 0.41 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1rjw h VAL 179 CO 0.01 0.78 0.45 0.00 0.02 0.00 0.00 177.57 178.82 1rjw h ALA 180 N 0.58 0.95 -0.54 1.67 0.00 -0.55 -1.90 119.26 119.46 1rjw h ALA 180 Ca -0.25 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.65 1rjw h ALA 180 Cb 2.00 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1rjw h ALA 180 CO 0.13 0.42 0.19 0.28 0.00 0.00 0.00 179.25 180.28 1rjw h VAL 181 N 1.02 0.80 -0.24 0.00 2.07 -1.48 -0.50 116.25 117.92 1rjw h VAL 181 Ca 0.27 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1rjw h VAL 181 Cb -0.03 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1rjw h VAL 181 CO -0.05 0.07 0.00 1.56 0.02 0.00 0.00 177.57 179.17 1rjw h GLN 182 N 0.37 0.42 -0.72 1.57 4.20 -1.53 -2.36 115.11 117.07 1rjw h GLN 182 Ca 0.27 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1rjw h GLN 182 Cb 0.31 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1rjw h GLN 182 CO -0.27 0.60 0.38 1.88 -0.67 0.00 0.00 178.83 180.75 1rjw h TYR 183 N 0.20 1.00 -0.81 2.96 0.05 -1.16 -1.34 116.97 117.87 1rjw h TYR 183 Ca 0.07 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.85 1rjw h TYR 183 Cb 0.41 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 1rjw h TYR 183 CO 0.03 0.72 0.52 0.00 -1.05 0.00 0.00 178.16 178.38 1rjw h ALA 184 N 1.19 1.06 -0.44 3.88 0.00 -1.00 -0.28 119.26 123.68 1rjw h ALA 184 Ca 0.25 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1rjw h ALA 184 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rjw h ALA 184 CO -0.04 0.36 -0.19 0.87 0.00 0.00 0.00 179.25 180.25 1rjw h LYS 185 N 1.03 0.90 0.00 0.00 1.79 -1.15 -1.24 116.57 117.90 1rjw h LYS 185 Ca 0.32 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1rjw h LYS 185 Cb -0.02 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1rjw h LYS 185 CO -0.10 1.04 0.00 0.00 -1.08 0.00 0.00 179.45 179.31 1rjw h ALA 186 N 0.84 1.00 -0.46 3.86 0.00 -0.54 -1.43 119.26 122.54 1rjw h ALA 186 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rjw h ALA 186 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rjw h ALA 186 CO 0.06 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.98 1rjw n MET 187 N -3.06 3.42 -1.11 0.00 2.81 -0.18 -4.90 117.12 114.10 1rjw n MET 187 Ca -0.01 -2.22 -0.04 0.00 -1.81 0.00 0.00 57.70 53.62 1rjw n MET 187 Cb 0.18 -1.89 -0.02 0.00 -0.71 0.00 0.00 33.22 30.79 1rjw n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rjw n GLY 188 N 0.71 0.63 3.94 3.03 0.00 -0.54 -4.17 105.19 108.80 1rjw n GLY 188 Ca 0.20 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1rjw n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjw s LEU 189 N -0.87 3.81 -0.11 0.99 1.43 -0.52 -0.21 118.68 123.21 1rjw s LEU 189 Ca 0.00 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1rjw s LEU 189 Cb 0.00 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1rjw s LEU 189 CO 0.00 -0.49 0.05 0.20 0.23 0.00 0.00 176.35 176.34 1rjw s ASN 190 N -4.11 5.60 -0.03 2.29 0.01 -0.58 -4.39 114.94 113.73 1rjw s ASN 190 Ca 0.44 0.22 0.07 0.00 -0.71 0.00 0.00 52.86 52.88 1rjw s ASN 190 Cb -0.10 -1.72 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 1rjw s ASN 190 CO 0.39 0.35 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.40 1rjw s VAL 191 N -0.71 2.23 -0.22 1.60 1.01 -1.26 -1.54 120.40 121.52 1rjw s VAL 191 Ca 0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1rjw s VAL 191 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1rjw s VAL 191 CO 0.02 0.58 -0.11 -0.69 0.00 0.00 0.00 175.10 174.90 1rjw s VAL 192 N -0.59 2.60 -0.13 2.92 1.01 -0.65 -1.33 120.40 124.23 1rjw s VAL 192 Ca 0.09 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1rjw s VAL 192 Cb -0.10 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1rjw s VAL 192 CO -0.00 0.35 0.30 0.00 0.00 0.00 0.00 175.10 175.74 1rjw s ALA 193 N 1.32 3.64 -0.12 5.51 0.00 0.81 -1.14 121.76 131.79 1rjw s ALA 193 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1rjw s ALA 193 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1rjw s ALA 193 CO -0.07 0.22 -0.20 0.08 0.00 0.00 0.00 175.76 175.79 1rjw s VAL 194 N 0.01 1.83 -0.22 0.00 1.01 -0.16 -1.78 120.40 121.09 1rjw s VAL 194 Ca 0.18 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1rjw s VAL 194 Cb -0.14 -1.63 0.12 0.00 0.00 0.00 0.00 36.38 34.74 1rjw s VAL 194 CO 0.06 0.51 1.00 -0.62 0.00 0.00 0.00 175.10 176.04 1rjw s ASP 195 N 0.75 -0.43 0.23 3.32 -1.08 -1.18 -0.04 116.67 118.25 1rjw s ASP 195 Ca -0.10 0.66 0.24 0.00 -0.52 0.00 0.00 52.55 52.83 1rjw s ASP 195 Cb -0.16 0.61 0.92 0.00 -1.46 0.00 0.00 42.92 42.84 1rjw s ASP 195 CO 0.01 -0.26 1.73 2.30 0.52 0.00 0.00 175.17 179.48 1rjw n ILE 196 N 1.51 0.74 -3.68 4.11 -5.35 -1.26 -4.29 119.36 111.13 1rjw n ILE 196 Ca -0.12 0.05 -0.38 0.00 -0.27 0.00 0.00 62.75 62.04 1rjw n ILE 196 Cb 0.57 -0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 37.39 1rjw n ILE 196 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1rjw s GLY 197 N -3.54 1.84 0.57 3.28 0.00 -1.26 -4.86 107.32 103.35 1rjw s GLY 197 Ca 0.07 -1.27 0.26 0.00 0.00 0.00 0.00 44.72 43.78 1rjw s GLY 197 CO 0.46 0.64 2.18 -0.55 0.00 0.00 0.00 173.10 175.83 1rjw h ASP 198 N 8.32 0.00 -0.19 1.64 3.32 -2.00 -1.29 116.42 126.21 1rjw h ASP 198 Ca -0.34 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1rjw h ASP 198 Cb 1.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1rjw h ASP 198 CO 0.59 0.00 0.06 -0.08 -1.72 0.00 0.00 179.24 178.09 1rjw h GLU 199 N 0.00 0.14 -0.69 3.56 4.81 -1.97 -1.60 114.58 118.83 1rjw h GLU 199 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1rjw h GLU 199 Cb 0.17 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1rjw h GLU 199 CO -0.00 0.09 0.37 0.87 -0.73 0.00 0.00 179.01 179.61 1rjw h LYS 200 N 0.15 0.97 -0.62 1.92 1.79 -1.59 -2.38 116.57 116.80 1rjw h LYS 200 Ca 0.08 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1rjw h LYS 200 Cb 0.06 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 1rjw h LYS 200 CO -0.09 0.73 0.21 -0.07 -1.08 0.00 0.00 179.45 179.15 1rjw h LEU 201 N 0.95 0.86 -0.84 2.94 3.38 -1.22 0.57 115.31 121.95 1rjw h LEU 201 Ca 0.24 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1rjw h LEU 201 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1rjw h LEU 201 CO -0.04 0.80 -0.21 -0.33 0.09 0.00 0.00 178.44 178.75 1rjw h GLU 202 N 0.91 0.63 -0.63 1.13 5.08 -1.06 -1.55 114.58 119.09 1rjw h GLU 202 Ca 0.21 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1rjw h GLU 202 Cb 0.23 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1rjw h GLU 202 CO -0.01 0.80 0.14 1.25 -1.00 0.00 0.00 179.01 180.19 1rjw h LEU 203 N 0.56 0.96 -1.17 1.33 6.46 -0.82 -2.09 115.31 120.53 1rjw h LEU 203 Ca 0.08 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1rjw h LEU 203 Cb 0.67 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1rjw h LEU 203 CO 0.05 0.95 0.18 0.00 -0.62 0.00 0.00 178.44 179.00 1rjw h ALA 204 N 1.05 1.34 -0.57 1.25 0.00 -0.42 -0.29 119.26 121.61 1rjw h ALA 204 Ca 0.20 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1rjw h ALA 204 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1rjw h ALA 204 CO 0.00 0.49 -0.05 0.87 0.00 0.00 0.00 179.25 180.56 1rjw h LYS 205 N 0.75 1.03 -0.02 0.00 1.57 -0.88 0.28 116.57 119.29 1rjw h LYS 205 Ca 0.18 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1rjw h LYS 205 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1rjw h LYS 205 CO -0.01 1.04 -0.38 0.93 -0.57 0.00 0.00 179.45 180.46 1rjw h GLU 206 N 0.93 0.05 -0.01 3.15 5.08 -0.70 -2.42 114.58 120.66 1rjw h GLU 206 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1rjw h GLU 206 Cb 0.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1rjw h GLU 206 CO 0.04 0.42 -0.06 1.28 -1.00 0.00 0.00 179.01 179.69 1rjw n LEU 207 N -4.08 0.61 0.00 1.33 4.77 -0.19 -4.91 117.00 114.52 1rjw n LEU 207 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1rjw n LEU 207 Cb 0.42 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1rjw n LEU 207 CO 0.39 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1rjw n GLY 208 N 1.18 1.11 3.69 -0.72 0.00 -0.72 -4.54 105.19 105.19 1rjw n GLY 208 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1rjw n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjw n ALA 209 N -0.28 1.96 0.10 4.61 0.00 0.90 -4.82 120.51 122.97 1rjw n ALA 209 Ca 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1rjw n ALA 209 Cb 0.00 -2.41 -0.12 0.00 0.00 0.00 0.00 19.45 16.92 1rjw n ALA 209 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rjw h ASP 210 N 6.00 0.39 -4.89 0.00 3.32 -1.64 -3.41 116.42 116.19 1rjw h ASP 210 Ca -0.44 -0.40 -0.20 0.00 0.02 0.00 0.00 57.03 56.01 1rjw h ASP 210 Cb 1.23 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 1rjw h ASP 210 CO 0.90 1.29 -0.71 -0.76 -1.72 0.00 0.00 179.24 178.23 1rjw s LEU 211 N -7.20 2.24 0.06 1.55 1.02 -0.44 -5.03 118.68 110.88 1rjw s LEU 211 Ca -0.04 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.65 1rjw s LEU 211 Cb 0.08 0.03 -0.03 0.00 0.02 0.00 0.00 46.19 46.29 1rjw s LEU 211 CO 0.87 -0.27 -0.09 0.68 0.02 0.00 0.00 176.35 177.56 1rjw s VAL 212 N -1.39 0.72 -0.23 -1.59 -7.23 -1.26 -0.13 120.40 109.28 1rjw s VAL 212 Ca -0.14 -1.28 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1rjw s VAL 212 Cb -0.10 -0.90 0.06 0.00 0.56 0.00 0.00 36.38 36.01 1rjw s VAL 212 CO -0.01 -0.42 0.60 0.54 -0.31 0.00 0.00 175.10 175.50 1rjw s VAL 213 N -1.70 -0.00 -0.33 1.32 0.11 -0.74 -4.92 120.40 114.14 1rjw s VAL 213 Ca -0.04 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1rjw s VAL 213 Cb -0.08 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1rjw s VAL 213 CO 0.00 0.00 0.19 0.21 -3.33 0.00 0.00 175.10 172.17 1rjw s ASN 214 N 0.73 5.72 0.56 3.54 3.84 -1.26 -3.08 114.94 124.98 1rjw s ASN 214 Ca -0.03 -0.56 0.27 0.00 0.21 0.00 0.00 52.86 52.74 1rjw s ASN 214 Cb -0.05 -2.04 1.47 0.00 -0.55 0.00 0.00 41.25 40.08 1rjw s ASN 214 CO -0.05 -0.24 2.00 -0.65 -2.79 0.00 0.00 177.10 175.38 1rjw h PRO 215 N 8.40 0.00 0.00 0.43 0.11 -1.75 -1.44 132.00 137.76 1rjw h PRO 215 Ca -0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 1rjw h PRO 215 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1rjw h PRO 215 CO 0.63 0.00 -0.66 -0.07 -0.21 0.00 0.00 178.00 177.69 1rjw h LEU 216 N 0.00 0.00 -1.51 2.35 4.07 -1.89 -3.26 115.31 115.07 1rjw h LEU 216 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1rjw h LEU 216 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1rjw h LEU 216 CO -0.00 0.66 -0.14 0.29 -1.08 0.00 0.00 178.44 178.17 1rjw n LYS 217 N -3.63 1.73 -3.59 1.13 5.02 -0.60 -5.02 118.16 113.20 1rjw n LYS 217 Ca -0.01 -1.46 -0.05 0.00 -2.02 0.00 0.00 58.31 54.78 1rjw n LYS 217 Cb 0.68 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 1rjw n LYS 217 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rjw s GLU 218 N -1.89 0.33 -0.43 1.97 2.12 -0.87 -5.03 118.70 114.89 1rjw s GLU 218 Ca 0.21 -0.09 -0.28 0.00 0.36 0.00 0.00 54.97 55.18 1rjw s GLU 218 Cb 0.17 0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.71 1rjw s GLU 218 CO 0.34 -0.14 1.60 0.34 -0.54 0.00 0.00 175.26 176.86 1rjw s ASP 219 N -1.97 6.03 0.13 -1.70 -1.08 -1.26 -4.09 116.67 112.74 1rjw s ASP 219 Ca 0.08 0.86 -0.18 0.00 -0.52 0.00 0.00 52.55 52.79 1rjw s ASP 219 Cb -0.01 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1rjw s ASP 219 CO -0.05 -1.67 1.77 0.00 0.52 0.00 0.00 175.17 175.73 1rjw h ALA 220 N 11.98 0.40 -0.80 3.66 0.00 -1.88 -0.81 119.26 131.82 1rjw h ALA 220 Ca -0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1rjw h ALA 220 Cb 1.13 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1rjw h ALA 220 CO 1.10 -0.10 0.46 0.00 0.00 0.00 0.00 179.25 180.70 1rjw h ALA 221 N 1.08 1.03 -0.58 0.00 0.00 -1.90 -1.50 119.26 117.38 1rjw h ALA 221 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1rjw h ALA 221 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1rjw h ALA 221 CO -0.02 0.52 -0.07 -0.22 0.00 0.00 0.00 179.25 179.46 1rjw h LYS 222 N 1.11 1.06 -0.48 0.00 3.64 -1.85 -1.80 116.57 118.24 1rjw h LYS 222 Ca 0.28 -0.37 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1rjw h LYS 222 Cb 0.01 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1rjw h LYS 222 CO -0.05 1.07 0.29 0.35 -2.27 0.00 0.00 179.45 178.84 1rjw h PHE 223 N 0.95 0.55 -0.08 1.91 3.04 -0.73 -0.62 116.94 121.97 1rjw h PHE 223 Ca 0.16 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.01 1rjw h PHE 223 Cb 0.64 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 1rjw h PHE 223 CO 0.04 0.32 -0.47 0.52 -2.02 0.00 0.00 178.31 176.70 1rjw h MET 224 N 0.59 0.18 -0.27 1.11 2.86 -1.14 0.20 114.93 118.46 1rjw h MET 224 Ca 0.19 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1rjw h MET 224 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1rjw h MET 224 CO -0.08 0.62 -0.20 0.87 1.06 0.00 0.00 176.91 179.18 1rjw h LYS 225 N 0.15 0.62 -0.14 1.72 1.79 -0.95 -0.54 116.57 119.22 1rjw h LYS 225 Ca 0.01 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 58.10 1rjw h LYS 225 Cb 0.89 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1rjw h LYS 225 CO 0.07 0.89 -0.21 0.93 -1.08 0.00 0.00 179.45 180.05 1rjw h GLU 226 N 0.34 0.38 -0.10 3.15 5.08 -0.96 -1.24 114.58 121.24 1rjw h GLU 226 Ca 0.05 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 1rjw h GLU 226 Cb 0.75 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1rjw h GLU 226 CO 0.05 0.81 -0.55 0.87 -1.00 0.00 0.00 179.01 179.20 1rjw h LYS 227 N -0.01 0.54 0.00 2.33 6.56 -0.66 -3.40 116.57 121.93 1rjw h LYS 227 Ca 0.01 -0.46 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1rjw h LYS 227 Cb 0.78 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 1rjw h LYS 227 CO 0.05 1.08 0.00 1.33 -2.06 0.00 0.00 179.45 179.85 1rjw n VAL 228 N -4.19 0.00 -1.79 0.50 0.24 -0.66 -5.01 118.33 107.42 1rjw n VAL 228 Ca -0.08 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1rjw n VAL 228 Cb 0.63 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 1rjw n VAL 228 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rjw n GLY 229 N 0.14 0.46 0.00 7.63 0.00 -0.47 -4.83 105.19 108.13 1rjw n GLY 229 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1rjw n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjw n GLY 230 N -1.18 -0.39 3.84 -0.02 0.00 -0.31 -4.73 105.19 102.40 1rjw n GLY 230 Ca 0.00 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1rjw n GLY 230 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rjw s VAL 231 N -0.97 4.44 -0.21 1.61 -7.23 -0.67 -4.48 120.40 112.89 1rjw s VAL 231 Ca 0.00 1.01 0.25 0.00 -1.81 0.00 0.00 61.98 61.43 1rjw s VAL 231 Cb 0.00 -3.69 0.31 0.00 0.56 0.00 0.00 36.38 33.56 1rjw s VAL 231 CO 0.00 -0.82 1.71 0.45 -0.31 0.00 0.00 175.10 176.13 1rjw h HIS 232 N 0.30 0.00 -2.61 2.82 3.86 -0.49 0.25 115.15 119.29 1rjw h HIS 232 Ca -0.46 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.80 1rjw h HIS 232 Cb 1.19 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.53 1rjw h HIS 232 CO 0.64 0.08 0.36 0.00 0.86 0.00 0.00 177.93 179.87 1rjw s ALA 233 N -3.34 -1.72 0.01 2.45 0.00 -1.12 -2.96 121.76 115.07 1rjw s ALA 233 Ca 0.04 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1rjw s ALA 233 Cb 0.07 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1rjw s ALA 233 CO 0.64 -0.72 -0.09 0.00 0.00 0.00 0.00 175.76 175.59 1rjw s ALA 234 N -3.39 0.72 -0.21 0.00 0.00 -0.61 -0.82 121.76 117.45 1rjw s ALA 234 Ca 0.03 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1rjw s ALA 234 Cb -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1rjw s ALA 234 CO -0.11 0.14 -0.17 0.08 0.00 0.00 0.00 175.76 175.71 1rjw s VAL 235 N -0.49 2.12 -0.49 0.00 1.01 0.16 -0.38 120.40 122.33 1rjw s VAL 235 Ca 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1rjw s VAL 235 Cb -0.05 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1rjw s VAL 235 CO 0.00 0.34 0.43 -0.69 0.00 0.00 0.00 175.10 175.19 1rjw s VAL 236 N 1.23 5.20 -0.10 2.92 1.01 0.07 -1.33 120.40 129.40 1rjw s VAL 236 Ca 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 61.98 61.04 1rjw s VAL 236 Cb -0.15 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1rjw s VAL 236 CO -0.10 -0.65 1.12 0.71 0.00 0.00 0.00 175.10 176.18 1rjw h THR 237 N 5.79 0.84 -2.81 3.92 1.35 -1.70 -2.02 112.91 118.26 1rjw h THR 237 Ca -0.29 -2.34 -0.63 0.00 -0.55 0.00 0.00 66.41 62.60 1rjw h THR 237 Cb 1.11 2.33 -0.40 0.00 -1.73 0.00 0.00 68.15 69.45 1rjw h THR 237 CO 0.91 0.48 -0.45 0.00 -0.25 0.00 0.00 175.52 176.21 1rjw n ALA 238 N -2.34 3.77 -1.94 6.62 0.00 -1.23 -4.20 120.51 121.20 1rjw n ALA 238 Ca -0.04 -4.64 -0.42 0.00 0.00 0.00 0.00 53.44 48.34 1rjw n ALA 238 Cb 0.83 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1rjw n ALA 238 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rjw s VAL 239 N -1.86 2.92 0.16 0.00 1.01 -1.26 -4.84 120.40 116.53 1rjw s VAL 239 Ca 0.31 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 1rjw s VAL 239 Cb 0.02 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1rjw s VAL 239 CO -0.10 0.01 0.50 -0.94 0.00 0.00 0.00 175.10 174.57 1rjw s SER 240 N 1.98 -0.34 0.12 3.32 1.04 -1.26 -4.78 113.70 113.77 1rjw s SER 240 Ca 0.72 -0.27 -0.26 0.00 0.48 0.00 0.00 55.95 56.62 1rjw s SER 240 Cb -0.41 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.19 1rjw s SER 240 CO 0.32 -0.95 1.64 0.50 0.98 0.00 0.00 173.24 175.73 1rjw h LYS 241 N 2.20 -0.40 -0.55 4.02 3.64 -1.93 -0.93 116.57 122.61 1rjw h LYS 241 Ca -0.32 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1rjw h LYS 241 Cb 1.27 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 1rjw h LYS 241 CO 0.41 -0.27 0.17 -1.00 -2.27 0.00 0.00 179.45 176.49 1rjw h PRO 242 N -0.42 0.83 -0.27 1.90 0.13 -1.98 -1.59 132.00 130.59 1rjw h PRO 242 Ca 0.04 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1rjw h PRO 242 Cb 0.47 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1rjw h PRO 242 CO -0.18 0.72 0.01 0.00 -0.23 0.00 0.00 178.00 178.32 1rjw h ALA 243 N 1.38 0.37 -0.72 -0.56 0.00 -1.81 -1.80 119.26 116.13 1rjw h ALA 243 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1rjw h ALA 243 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1rjw h ALA 243 CO -0.01 0.09 0.28 0.35 0.00 0.00 0.00 179.25 179.97 1rjw h PHE 244 N 0.27 1.08 0.21 0.00 3.57 -1.07 -0.96 116.94 120.03 1rjw h PHE 244 Ca 0.08 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1rjw h PHE 244 Cb 0.40 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1rjw h PHE 244 CO 0.03 0.82 -0.10 0.37 -2.23 0.00 0.00 178.31 177.20 1rjw h GLN 245 N 1.04 -0.27 -0.36 1.11 5.75 -1.11 0.45 115.11 121.71 1rjw h GLN 245 Ca 0.24 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1rjw h GLN 245 Cb 0.20 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1rjw h GLN 245 CO -0.02 -0.17 0.24 1.03 -2.65 0.00 0.00 178.83 177.26 1rjw h SER 246 N -0.29 0.41 -0.46 -0.69 0.87 -1.14 -1.64 113.55 110.61 1rjw h SER 246 Ca -0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1rjw h SER 246 Cb 0.22 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1rjw h SER 246 CO 0.05 0.30 0.26 0.00 -0.53 0.00 0.00 176.83 176.90 1rjw h ALA 247 N 1.14 0.58 -0.56 6.23 0.00 -1.04 -1.39 119.26 124.21 1rjw h ALA 247 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rjw h ALA 247 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1rjw h ALA 247 CO -0.03 0.10 0.37 -0.92 0.00 0.00 0.00 179.25 178.76 1rjw h TYR 248 N 0.60 0.65 0.00 0.00 5.03 -0.64 -2.20 116.97 120.41 1rjw h TYR 248 Ca 0.16 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1rjw h TYR 248 Cb 0.03 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.10 1rjw h TYR 248 CO -0.02 0.39 -0.10 -0.91 -1.32 0.00 0.00 178.16 176.20 1rjw h ASN 249 N 0.69 0.00 0.26 -2.11 -0.26 -0.64 -3.33 115.58 110.18 1rjw h ASN 249 Ca 0.22 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1rjw h ASN 249 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1rjw h ASN 249 CO -0.05 0.01 -0.74 -1.54 -1.06 0.00 0.00 177.43 174.05 1rjw n SER 250 N -2.46 0.75 -4.81 5.81 3.41 -0.59 -4.89 113.62 110.85 1rjw n SER 250 Ca 0.05 -0.62 -0.37 0.00 -0.26 0.00 0.00 58.87 57.67 1rjw n SER 250 Cb 0.46 0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 1rjw n SER 250 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rjw s ILE 251 N -2.99 4.54 0.74 -1.33 1.01 -1.17 -1.67 121.20 120.33 1rjw s ILE 251 Ca 0.10 1.37 -0.11 0.00 0.00 0.00 0.00 60.65 62.00 1rjw s ILE 251 Cb 0.17 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1rjw s ILE 251 CO 0.78 0.32 1.09 0.00 0.00 0.00 0.00 174.94 177.13 1rjw s ARG 252 N -1.68 2.53 0.38 2.79 1.70 0.07 -4.80 118.95 119.94 1rjw s ARG 252 Ca 0.40 0.58 -0.25 0.00 -0.47 0.00 0.00 55.73 55.99 1rjw s ARG 252 Cb -0.18 -1.97 -0.12 0.00 -0.57 0.00 0.00 34.95 32.10 1rjw s ARG 252 CO 0.22 -1.29 0.97 0.54 -1.08 0.00 0.00 175.30 174.65 1rjw n ARG 253 N -3.20 1.28 -0.92 3.89 1.74 -1.26 -1.04 116.66 117.15 1rjw n ARG 253 Ca 0.07 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1rjw n ARG 253 Cb 0.56 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1rjw n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rjw n GLY 254 N 1.25 0.57 3.90 -0.13 0.00 0.19 -4.99 105.19 105.99 1rjw n GLY 254 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1rjw n GLY 254 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjw s GLY 255 N -2.00 1.63 -0.05 -0.02 0.00 -0.21 -4.77 107.32 101.90 1rjw s GLY 255 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1rjw s GLY 255 CO 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 173.10 172.69 1rjw s ALA 256 N -3.63 2.38 -0.30 3.20 0.00 -1.16 -0.82 121.76 121.43 1rjw s ALA 256 Ca 0.64 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1rjw s ALA 256 Cb -0.10 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.27 1rjw s ALA 256 CO 0.50 0.47 0.01 0.00 0.00 0.00 0.00 175.76 176.74 1rjw s VAL 258 N 1.27 5.08 -0.14 0.00 1.01 0.48 -1.08 120.40 127.02 1rjw s VAL 258 Ca -0.05 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1rjw s VAL 258 Cb -0.20 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1rjw s VAL 258 CO -0.01 0.32 0.23 -0.76 0.00 0.00 0.00 175.10 174.88 1rjw s LEU 259 N 1.38 4.29 -0.03 3.92 1.43 0.69 -0.75 118.68 129.61 1rjw s LEU 259 Ca 0.07 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1rjw s LEU 259 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1rjw s LEU 259 CO 0.07 0.21 0.02 0.52 0.23 0.00 0.00 176.35 177.39 1rjw n VAL 260 N 3.04 0.20 -0.99 -1.59 0.31 -0.76 -1.25 118.33 117.29 1rjw n VAL 260 Ca -0.15 -0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 63.76 1rjw n VAL 260 Cb 0.53 -0.73 0.18 0.00 -0.91 0.00 0.00 33.84 32.91 1rjw n VAL 260 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rjw s GLY 261 N -3.28 1.59 -0.52 2.92 0.00 -1.21 -4.88 107.32 101.94 1rjw s GLY 261 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.66 1rjw s GLY 261 CO 0.14 0.46 0.67 1.04 0.00 0.00 0.00 173.10 175.41 1rjw n LEU 262 N -4.26 2.20 -4.87 0.66 4.77 -1.26 -4.92 117.00 109.31 1rjw n LEU 262 Ca 0.06 -5.14 -0.32 0.00 -0.03 0.00 0.00 56.01 50.58 1rjw n LEU 262 Cb 0.55 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1rjw n LEU 262 CO 0.56 2.10 0.24 -2.16 -1.33 0.00 0.00 177.39 176.80 1rjw s PRO 263 N -2.04 3.81 0.00 3.23 0.04 -1.26 -5.01 135.00 133.76 1rjw s PRO 263 Ca 0.39 0.30 0.11 0.00 0.04 0.00 0.00 61.00 61.83 1rjw s PRO 263 Cb 0.18 -2.62 0.42 0.00 0.04 0.00 0.00 34.50 32.53 1rjw s PRO 263 CO -0.06 0.28 1.31 -0.35 0.04 0.00 0.00 177.00 178.21 1rjw n PRO 264 N -0.25 1.41 -2.98 0.56 -0.04 -1.26 -4.91 135.00 127.52 1rjw n PRO 264 Ca 0.01 -0.63 -0.18 0.00 -0.04 0.00 0.00 63.50 62.65 1rjw n PRO 264 Cb 0.53 -1.21 0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1rjw n PRO 264 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1rjw s GLU 265 N -1.80 2.61 -0.02 0.54 2.12 -1.26 -5.12 118.70 115.78 1rjw s GLU 265 Ca 0.19 -1.34 -0.02 0.00 0.36 0.00 0.00 54.97 54.16 1rjw s GLU 265 Cb 0.09 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 1rjw s GLU 265 CO 0.14 -0.52 0.12 -1.83 -0.54 0.00 0.00 175.26 172.63 1rjw s GLU 266 N -4.50 3.23 -0.25 4.30 4.04 -1.26 -5.10 118.70 119.15 1rjw s GLU 266 Ca 0.58 -0.40 -0.05 0.00 0.04 0.00 0.00 54.97 55.14 1rjw s GLU 266 Cb -0.08 -2.97 -0.00 0.00 0.02 0.00 0.00 34.13 31.09 1rjw s GLU 266 CO 0.36 0.67 0.02 -1.64 -1.84 0.00 0.00 175.26 172.82 1rjw s MET 267 N -1.75 3.27 0.14 -4.83 -1.94 -1.26 -4.96 119.30 107.98 1rjw s MET 267 Ca 0.24 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.20 1rjw s MET 267 Cb -0.12 -3.19 -0.07 0.00 2.01 0.00 0.00 34.83 33.46 1rjw s MET 267 CO 0.15 -0.30 0.97 -2.14 -0.01 0.00 0.00 175.02 173.68 1rjw s PRO 268 N 1.50 4.73 -0.03 2.03 0.02 -1.26 -5.05 135.00 136.93 1rjw s PRO 268 Ca 0.04 1.48 0.05 0.00 0.02 0.00 0.00 61.00 62.59 1rjw s PRO 268 Cb -0.16 -3.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.01 1rjw s PRO 268 CO -0.00 0.27 -0.17 0.96 -0.33 0.00 0.00 177.00 177.73 1rjw s ILE 269 N -0.28 1.41 -0.18 2.83 -4.36 -1.26 -5.02 121.20 114.34 1rjw s ILE 269 Ca 0.46 -0.73 -0.29 0.00 -0.26 0.00 0.00 60.65 59.82 1rjw s ILE 269 Cb -0.24 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.24 1rjw s ILE 269 CO 0.31 0.40 1.51 -2.84 0.24 0.00 0.00 174.94 174.56 1rjw s PRO 270 N -0.16 3.99 0.03 0.37 0.02 -1.26 -4.91 135.00 133.08 1rjw s PRO 270 Ca 0.01 1.73 -0.22 0.00 0.02 0.00 0.00 61.00 62.54 1rjw s PRO 270 Cb -0.09 -3.95 -0.15 0.00 0.02 0.00 0.00 34.50 30.33 1rjw s PRO 270 CO 0.01 -1.04 1.37 0.82 -0.33 0.00 0.00 177.00 177.83 1rjw h ILE 271 N 5.85 1.33 -0.12 2.83 2.04 -1.99 -1.21 117.51 126.25 1rjw h ILE 271 Ca -0.32 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.43 1rjw h ILE 271 Cb 1.14 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 1rjw h ILE 271 CO 0.99 0.33 -0.07 0.15 0.00 0.00 0.00 178.15 179.54 1rjw h PHE 272 N -0.10 -0.17 -0.33 1.37 3.57 -2.00 -1.69 116.94 117.60 1rjw h PHE 272 Ca 0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1rjw h PHE 272 Cb 0.55 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1rjw h PHE 272 CO 0.07 -0.11 0.14 -0.44 -2.23 0.00 0.00 178.31 175.73 1rjw h ASP 273 N -0.07 0.45 -0.49 0.41 5.19 -1.97 -1.91 116.42 118.03 1rjw h ASP 273 Ca 0.07 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1rjw h ASP 273 Cb 0.17 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1rjw h ASP 273 CO -0.16 0.48 0.32 0.74 -3.12 0.00 0.00 179.24 177.51 1rjw h THR 274 N 0.38 1.13 -0.14 0.35 2.02 -1.07 -0.04 112.91 115.54 1rjw h THR 274 Ca 0.11 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1rjw h THR 274 Cb 0.17 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1rjw h THR 274 CO -0.01 0.12 -0.09 0.58 0.37 0.00 0.00 175.52 176.50 1rjw h VAL 275 N 0.66 1.32 -0.51 3.16 2.07 -1.28 -1.91 116.25 119.76 1rjw h VAL 275 Ca 0.18 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1rjw h VAL 275 Cb -0.08 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1rjw h VAL 275 CO -0.04 0.34 0.03 0.25 0.02 0.00 0.00 177.57 178.17 1rjw h LEU 276 N -0.04 0.80 -1.59 2.57 5.85 -1.28 -3.05 115.31 118.57 1rjw h LEU 276 Ca 0.03 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rjw h LEU 276 Cb 0.57 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1rjw h LEU 276 CO 0.02 0.84 0.00 0.59 -0.34 0.00 0.00 178.44 179.56 1rjw n ASN 277 N -4.22 2.42 -2.94 1.25 3.02 -0.03 -4.96 115.26 109.79 1rjw n ASN 277 Ca 0.03 -1.81 -0.19 0.00 -0.03 0.00 0.00 54.58 52.58 1rjw n ASN 277 Cb 0.29 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1rjw n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rjw n GLY 278 N 1.29 -0.50 3.78 7.41 0.00 -0.76 0.56 105.19 116.98 1rjw n GLY 278 Ca 0.17 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1rjw n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjw s ILE 279 N -2.89 3.78 -0.09 -0.61 1.01 -0.98 -3.50 121.20 117.92 1rjw s ILE 279 Ca 0.23 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.26 1rjw s ILE 279 Cb -0.11 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1rjw s ILE 279 CO 0.28 0.00 -0.19 -0.54 0.00 0.00 0.00 174.94 174.49 1rjw s LYS 280 N -2.50 2.97 -0.27 2.79 1.02 0.00 -4.90 119.74 118.84 1rjw s LYS 280 Ca 0.58 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 1rjw s LYS 280 Cb -0.21 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1rjw s LYS 280 CO 0.27 0.31 -0.03 0.42 -0.92 0.00 0.00 175.35 175.40 1rjw s ILE 281 N 0.05 2.96 0.02 2.17 1.01 -1.26 0.63 121.20 126.78 1rjw s ILE 281 Ca -0.08 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.46 1rjw s ILE 281 Cb -0.15 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1rjw s ILE 281 CO 0.05 0.05 -0.23 -0.63 0.00 0.00 0.00 174.94 174.18 1rjw s ILE 282 N 1.29 1.82 -0.12 2.92 1.01 -0.24 -4.98 121.20 122.90 1rjw s ILE 282 Ca -0.02 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1rjw s ILE 282 Cb -0.18 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1rjw s ILE 282 CO -0.03 0.37 0.05 -0.83 0.00 0.00 0.00 174.94 174.50 1rjw s GLY 283 N -0.91 1.93 -0.02 6.18 0.00 -1.26 -0.22 107.32 113.01 1rjw s GLY 283 Ca 0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1rjw s GLY 283 CO 0.01 -0.33 0.04 -0.45 0.00 0.00 0.00 173.10 172.37 1rjw s SER 284 N -0.49 0.02 -0.00 1.64 0.15 -0.38 -4.92 113.70 109.71 1rjw s SER 284 Ca 0.10 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 1rjw s SER 284 Cb -0.12 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1rjw s SER 284 CO 0.02 -0.09 0.01 -0.51 1.20 0.00 0.00 173.24 173.88 1rjw s ILE 285 N 0.70 0.00 0.00 6.45 -1.16 -1.26 -4.39 121.20 121.55 1rjw s ILE 285 Ca -0.06 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.04 1rjw s ILE 285 Cb -0.08 -0.04 0.00 0.00 0.61 0.00 0.00 42.46 42.95 1rjw s ILE 285 CO -0.02 -0.02 0.00 1.33 -2.81 0.00 0.00 174.94 173.42 1rjw n VAL 286 N 3.00 0.00 -3.60 4.00 0.24 -1.26 -4.94 118.33 115.77 1rjw n VAL 286 Ca -0.13 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.19 1rjw n VAL 286 Cb 0.60 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1rjw n VAL 286 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rjw s GLY 287 N -0.23 -0.42 1.19 7.63 0.00 -1.26 -4.21 107.32 110.01 1rjw s GLY 287 Ca 0.00 0.83 -0.20 0.00 0.00 0.00 0.00 44.72 45.35 1rjw s GLY 287 CO 0.00 0.17 1.15 -0.51 0.00 0.00 0.00 173.10 173.90 1rjw s THR 288 N -2.33 1.62 0.23 0.90 -4.23 -1.26 -4.79 115.64 105.78 1rjw s THR 288 Ca 0.14 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1rjw s THR 288 Cb 0.05 -2.57 0.11 0.00 1.34 0.00 0.00 72.50 71.43 1rjw s THR 288 CO -0.05 0.00 1.73 0.03 -0.54 0.00 0.00 174.62 175.80 1rjw h ARG 289 N -2.52 0.93 -0.49 3.99 3.08 -1.99 -1.92 114.38 115.47 1rjw h ARG 289 Ca -0.44 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.32 1rjw h ARG 289 Cb 1.28 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1rjw h ARG 289 CO 0.32 0.89 0.12 -0.22 -1.07 0.00 0.00 179.97 180.01 1rjw h LYS 290 N 0.87 0.77 -0.67 0.04 3.11 -1.99 -1.32 116.57 117.39 1rjw h LYS 290 Ca 0.17 -0.18 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1rjw h LYS 290 Cb 0.44 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.53 1rjw h LYS 290 CO 0.02 0.75 0.43 -0.44 -2.81 0.00 0.00 179.45 177.40 1rjw h ASP 291 N 0.66 0.73 -0.27 4.20 3.32 -1.84 -1.42 116.42 121.80 1rjw h ASP 291 Ca 0.15 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1rjw h ASP 291 Cb 0.32 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1rjw h ASP 291 CO 0.00 0.52 -0.17 0.25 -1.72 0.00 0.00 179.24 178.12 1rjw h LEU 292 N 0.87 0.71 -0.36 1.55 5.85 -1.11 0.25 115.31 123.06 1rjw h LEU 292 Ca 0.25 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1rjw h LEU 292 Cb -0.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1rjw h LEU 292 CO -0.07 0.88 -0.05 1.56 -0.34 0.00 0.00 178.44 180.42 1rjw h GLN 293 N 0.64 0.67 -0.59 1.25 4.20 -0.90 -0.43 115.11 119.95 1rjw h GLN 293 Ca 0.10 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1rjw h GLN 293 Cb 0.64 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1rjw h GLN 293 CO 0.04 0.81 0.30 0.93 -0.67 0.00 0.00 178.83 180.25 1rjw h GLU 294 N 0.48 0.83 -0.66 1.46 5.08 -1.03 -1.05 114.58 119.69 1rjw h GLU 294 Ca 0.10 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1rjw h GLU 294 Cb 0.54 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1rjw h GLU 294 CO 0.03 0.65 0.29 0.00 -1.00 0.00 0.00 179.01 178.99 1rjw h ALA 295 N 1.13 0.86 -0.48 3.43 0.00 -0.75 -2.49 119.26 120.97 1rjw h ALA 295 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1rjw h ALA 295 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1rjw h ALA 295 CO -0.03 0.45 -0.01 -0.07 0.00 0.00 0.00 179.25 179.59 1rjw h LEU 296 N 0.93 0.77 -1.18 0.00 3.38 -0.79 -2.79 115.31 115.62 1rjw h LEU 296 Ca 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1rjw h LEU 296 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1rjw h LEU 296 CO -0.02 0.84 0.27 -0.61 0.09 0.00 0.00 178.44 179.01 1rjw h GLN 297 N 0.74 0.85 -0.45 1.13 5.75 -0.77 0.64 115.11 123.01 1rjw h GLN 297 Ca 0.14 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.44 1rjw h GLN 297 Cb 0.47 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1rjw h GLN 297 CO 0.02 0.67 -0.09 0.74 -2.65 0.00 0.00 178.83 177.52 1rjw h PHE 298 N 0.85 0.87 -0.13 3.99 0.04 -1.21 -1.60 116.94 119.74 1rjw h PHE 298 Ca 0.21 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1rjw h PHE 298 Cb 0.11 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 1rjw h PHE 298 CO 0.01 0.84 -0.06 0.00 -0.60 0.00 0.00 178.31 178.50 1rjw h ALA 299 N 1.18 0.18 -0.13 2.45 0.00 -1.19 -2.10 119.26 119.66 1rjw h ALA 299 Ca 0.13 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1rjw h ALA 299 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rjw h ALA 299 CO 0.03 -0.03 0.11 0.00 0.00 0.00 0.00 179.25 179.36 1rjw h ALA 300 N 0.66 1.87 -0.02 0.00 0.00 -0.68 0.29 119.26 121.39 1rjw h ALA 300 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rjw h ALA 300 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rjw h ALA 300 CO 0.02 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.48 1rjw n GLU 301 N -4.10 1.52 -1.02 0.00 1.02 -0.62 -4.93 120.64 112.51 1rjw n GLU 301 Ca 0.00 -0.76 -0.01 0.00 -0.02 0.00 0.00 57.16 56.37 1rjw n GLU 301 Cb 0.23 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1rjw n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rjw n GLY 302 N 1.14 0.45 0.02 0.62 0.00 0.09 -4.93 105.19 102.57 1rjw n GLY 302 Ca 0.20 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1rjw n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rjw n LYS 303 N -2.97 0.20 -3.80 1.61 5.02 -0.80 -4.89 118.16 112.53 1rjw n LYS 303 Ca -0.01 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1rjw n LYS 303 Cb 0.03 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.32 1rjw n LYS 303 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rjw s VAL 304 N -3.14 -0.04 -0.00 -0.18 1.01 -1.23 -4.73 120.40 112.09 1rjw s VAL 304 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1rjw s VAL 304 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.46 1rjw s VAL 304 CO 0.80 0.06 -0.00 -0.54 0.00 0.00 0.00 175.10 175.41 1rjw s LYS 305 N 0.69 0.07 -0.16 2.72 1.02 -1.26 -4.50 119.74 118.32 1rjw s LYS 305 Ca -0.06 0.00 -0.08 0.00 0.02 0.00 0.00 55.97 55.85 1rjw s LYS 305 Cb -0.08 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1rjw s LYS 305 CO -0.02 -0.01 0.13 0.99 -0.92 0.00 0.00 175.35 175.51 1rjw s THR 306 N 0.17 5.39 -0.34 2.17 2.01 -1.26 -4.86 115.64 118.93 1rjw s THR 306 Ca -0.01 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1rjw s THR 306 Cb -0.03 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1rjw s THR 306 CO -0.00 0.52 1.21 -0.63 -0.69 0.00 0.00 174.62 175.03 1rjw s ILE 307 N -0.28 4.25 0.20 1.82 1.01 -1.26 -4.98 121.20 121.96 1rjw s ILE 307 Ca 0.11 1.40 0.08 0.00 0.00 0.00 0.00 60.65 62.24 1rjw s ILE 307 Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1rjw s ILE 307 CO 0.01 -0.57 -0.14 0.27 0.00 0.00 0.00 174.94 174.51 1rjw s ILE 308 N 4.21 1.71 -0.14 2.92 -4.36 -1.26 -0.34 121.20 123.94 1rjw s ILE 308 Ca 0.52 -2.18 -0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1rjw s ILE 308 Cb -0.14 -2.01 0.03 0.00 1.25 0.00 0.00 42.46 41.59 1rjw s ILE 308 CO 0.22 -0.58 -0.09 -0.70 0.24 0.00 0.00 174.94 174.03 1rjw s GLU 309 N -3.58 1.77 0.08 0.37 2.12 0.26 -4.92 118.70 114.79 1rjw s GLU 309 Ca 0.22 -0.46 -0.21 0.00 0.36 0.00 0.00 54.97 54.88 1rjw s GLU 309 Cb -0.01 -1.91 -0.07 0.00 0.26 0.00 0.00 34.13 32.40 1rjw s GLU 309 CO 0.06 -0.31 0.62 0.08 -0.54 0.00 0.00 175.26 175.18 1rjw s VAL 310 N 1.60 4.69 -0.06 3.70 1.01 -1.26 -1.29 120.40 128.79 1rjw s VAL 310 Ca 0.03 1.34 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 1rjw s VAL 310 Cb -0.14 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1rjw s VAL 310 CO -0.09 0.52 0.26 -1.10 0.00 0.00 0.00 175.10 174.69 1rjw s GLN 311 N -0.92 0.44 0.63 2.72 -1.52 -0.40 -4.95 119.66 115.67 1rjw s GLN 311 Ca 0.31 0.11 -0.16 0.00 -1.95 0.00 0.00 55.36 53.67 1rjw s GLN 311 Cb -0.20 0.20 -0.02 0.00 -0.22 0.00 0.00 33.01 32.77 1rjw s GLN 311 CO 0.20 -0.09 1.11 -1.25 -0.25 0.00 0.00 175.29 175.02 1rjw s PRO 312 N -0.48 2.96 0.40 2.91 0.04 -1.26 -1.07 135.00 138.49 1rjw s PRO 312 Ca -0.06 1.44 0.16 0.00 0.04 0.00 0.00 61.00 62.58 1rjw s PRO 312 Cb -0.04 -1.97 1.04 0.00 0.04 0.00 0.00 34.50 33.57 1rjw s PRO 312 CO 0.02 -1.13 1.83 1.25 0.04 0.00 0.00 177.00 179.00 1rjw h LEU 313 N 0.34 0.47 -2.10 -3.56 5.85 -1.92 -1.73 115.31 112.66 1rjw h LEU 313 Ca -0.48 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1rjw h LEU 313 Cb 1.25 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1rjw h LEU 313 CO 0.55 0.17 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.48 1rjw h GLU 314 N 0.46 0.00 -0.74 1.25 3.07 -1.91 -2.41 114.58 114.30 1rjw h GLU 314 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1rjw h GLU 314 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1rjw h GLU 314 CO -0.23 0.01 0.00 1.63 -1.40 0.00 0.00 179.01 179.02 1rjw n LYS 315 N -4.35 2.98 -0.29 2.33 5.02 -0.65 -4.45 118.16 118.74 1rjw n LYS 315 Ca -0.03 -1.67 0.01 0.00 -2.02 0.00 0.00 58.31 54.60 1rjw n LYS 315 Cb 0.10 -1.85 0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1rjw n LYS 315 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1rjw h ILE 316 N 2.17 1.01 -0.08 -0.18 6.09 -1.58 -0.99 117.51 123.95 1rjw h ILE 316 Ca 0.00 -0.31 -0.07 0.00 -1.37 0.00 0.00 64.86 63.11 1rjw h ILE 316 Cb 1.22 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 1rjw h ILE 316 CO 0.24 0.16 -0.28 0.78 -3.07 0.00 0.00 178.15 175.98 1rjw h ASN 317 N 0.89 0.13 -0.31 2.19 2.35 -1.86 -0.51 115.58 118.46 1rjw h ASN 317 Ca 0.36 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.91 1rjw h ASN 317 Cb 0.20 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1rjw h ASN 317 CO -0.19 0.41 -0.45 -0.33 -1.65 0.00 0.00 177.43 175.23 1rjw h GLU 318 N 0.12 0.84 -0.30 0.81 5.08 -1.61 -2.07 114.58 117.46 1rjw h GLU 318 Ca 0.02 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1rjw h GLU 318 Cb 0.56 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1rjw h GLU 318 CO 0.04 1.14 0.19 0.28 -1.00 0.00 0.00 179.01 179.66 1rjw h VAL 319 N 0.62 1.09 -0.78 3.13 2.07 -0.70 -1.23 116.25 120.46 1rjw h VAL 319 Ca 0.03 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1rjw h VAL 319 Cb 1.05 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1rjw h VAL 319 CO 0.10 0.09 0.51 -0.26 0.02 0.00 0.00 177.57 178.03 1rjw h PHE 320 N 0.39 0.96 -0.70 1.57 0.04 -1.05 0.25 116.94 118.41 1rjw h PHE 320 Ca 0.11 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1rjw h PHE 320 Cb -0.02 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 1rjw h PHE 320 CO -0.05 0.58 0.30 0.22 -0.60 0.00 0.00 178.31 178.76 1rjw h ASP 321 N 1.02 0.95 0.42 2.17 1.82 -1.02 -1.38 116.42 120.40 1rjw h ASP 321 Ca 0.30 -0.16 -0.10 0.00 -0.39 0.00 0.00 57.03 56.68 1rjw h ASP 321 Cb -0.06 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.69 1rjw h ASP 321 CO -0.08 0.85 -0.45 0.03 -1.61 0.00 0.00 179.24 177.98 1rjw h ARG 322 N 0.99 0.04 -0.24 0.28 3.08 -0.66 -2.85 114.38 115.02 1rjw h ARG 322 Ca 0.23 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 1rjw h ARG 322 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1rjw h ARG 322 CO -0.02 0.48 0.00 0.52 -1.07 0.00 0.00 179.97 179.88 1rjw h MET 323 N 0.03 0.42 -0.46 0.04 2.86 -0.31 0.18 114.93 117.71 1rjw h MET 323 Ca -0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1rjw h MET 323 Cb 0.80 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 1rjw h MET 323 CO 0.06 0.60 0.29 -0.07 1.06 0.00 0.00 176.91 178.84 1rjw h LEU 324 N 0.19 0.53 -2.40 1.22 3.38 -1.13 -2.11 115.31 114.99 1rjw h LEU 324 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rjw h LEU 324 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1rjw h LEU 324 CO 0.01 0.40 0.00 0.29 0.09 0.00 0.00 178.44 179.23 1rjw n LYS 325 N -4.45 3.07 -3.95 1.13 4.01 -1.09 -4.92 118.16 111.95 1rjw n LYS 325 Ca 0.04 -2.06 -0.31 0.00 -0.51 0.00 0.00 58.31 55.47 1rjw n LYS 325 Cb 0.07 -1.76 0.02 0.00 -0.51 0.00 0.00 35.03 32.85 1rjw n LYS 325 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rjw n GLY 326 N 0.83 -0.49 1.57 0.72 0.00 -0.79 -4.85 105.19 102.17 1rjw n GLY 326 Ca 0.19 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.47 1rjw n GLY 326 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rjw n GLN 327 N -4.66 3.88 -4.33 1.61 -0.06 0.62 -4.89 117.38 109.55 1rjw n GLN 327 Ca 0.05 -2.62 -0.31 0.00 -2.00 0.00 0.00 57.00 52.11 1rjw n GLN 327 Cb 0.52 -1.99 -0.16 0.00 -4.06 0.00 0.00 30.24 24.55 1rjw n GLN 327 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1rjw s ILE 328 N -2.15 1.83 -0.33 1.69 1.01 -1.26 -4.94 121.20 117.05 1rjw s ILE 328 Ca 0.46 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1rjw s ILE 328 Cb 0.32 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 41.17 1rjw s ILE 328 CO 0.18 0.50 0.10 0.20 0.00 0.00 0.00 174.94 175.93 1rjw s ASN 329 N 1.13 5.30 0.00 3.58 0.01 -1.26 -4.92 114.94 118.78 1rjw s ASN 329 Ca -0.01 -1.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.08 1rjw s ASN 329 Cb -0.14 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.64 1rjw s ASN 329 CO -0.07 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 1rjw n GLY 330 N 4.83 -0.20 3.37 0.66 0.00 -1.26 -4.90 105.19 107.70 1rjw n GLY 330 Ca -0.13 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 1rjw n GLY 330 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rjw s ARG 331 N 0.00 1.61 -0.15 1.61 1.81 0.53 -4.45 118.95 119.91 1rjw s ARG 331 Ca 0.00 -1.23 -0.05 0.00 -1.72 0.00 0.00 55.73 52.73 1rjw s ARG 331 Cb 0.00 -1.95 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 1rjw s ARG 331 CO 0.00 0.48 0.03 0.08 -0.68 0.00 0.00 175.30 175.21 1rjw s VAL 332 N -0.94 4.49 -0.11 3.52 1.01 -1.26 -0.58 120.40 126.53 1rjw s VAL 332 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1rjw s VAL 332 Cb -0.10 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1rjw s VAL 332 CO 0.04 0.51 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 1rjw s VAL 333 N 0.04 2.12 0.06 2.92 1.01 -0.41 -0.77 120.40 125.36 1rjw s VAL 333 Ca 0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 1rjw s VAL 333 Cb -0.13 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 1rjw s VAL 333 CO 0.01 0.56 0.58 -0.76 0.00 0.00 0.00 175.10 175.49 1rjw s LEU 334 N 0.46 4.50 -0.10 3.92 1.43 0.24 -1.27 118.68 127.86 1rjw s LEU 334 Ca -0.16 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1rjw s LEU 334 Cb -0.17 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1rjw s LEU 334 CO 0.06 0.23 0.00 0.42 0.23 0.00 0.00 176.35 177.29 1rjw s THR 335 N -0.88 4.30 -2.31 5.49 -4.23 -0.24 -0.83 115.64 116.94 1rjw s THR 335 Ca 0.30 -0.24 0.19 0.00 -1.18 0.00 0.00 61.69 60.75 1rjw s THR 335 Cb -0.19 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 70.98 1rjw s THR 335 CO 0.19 0.58 1.10 0.18 -0.54 0.00 0.00 174.62 176.12 1rjw n LEU 336 N 2.41 2.57 -3.27 4.79 7.99 -0.99 -3.24 117.00 127.26 1rjw n LEU 336 Ca -0.18 -1.02 -0.29 0.00 -0.01 0.00 0.00 56.01 54.51 1rjw n LEU 336 Cb 0.53 -0.01 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 1rjw n LEU 336 CO 0.29 0.45 2.59 -0.62 -1.51 0.00 0.00 177.39 178.60 1rjw n GLU 337 N 1.05 2.43 0.00 3.23 -0.58 -1.26 -2.65 120.64 122.86 1rjw n GLU 337 Ca 0.11 -1.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.14 1rjw n GLU 337 Cb 0.47 -2.61 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 1rjw n GLU 337 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1rjw n ASP 338 N 4.43 0.00 0.00 1.62 -0.08 -1.26 -5.18 116.55 116.08 1rjw n ASP 338 Ca 0.53 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1rjw n ASP 338 Cb 0.19 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1rjw n ASP 338 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61