#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rje h ARG 3 N 0.00 0.00 -0.10 5.31 2.43 -2.02 -3.12 114.38 116.89 1rje h ARG 3 Ca 0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1rje h ARG 3 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1rje h ARG 3 CO 0.00 0.61 -0.77 0.82 -1.51 0.00 0.00 179.97 179.12 1rje h ILE 4 N 0.00 1.34 -0.11 1.20 2.04 -1.94 -2.56 117.51 117.48 1rje h ILE 4 Ca -0.01 -2.11 -0.12 0.00 1.00 0.00 0.00 64.86 63.63 1rje h ILE 4 Cb 1.23 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1rje h ILE 4 CO 0.08 0.64 -0.45 0.40 0.00 0.00 0.00 178.15 178.83 1rje h ILE 5 N 0.36 1.32 0.00 -0.67 2.04 -1.94 -2.81 117.51 115.82 1rje h ILE 5 Ca -0.04 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.13 1rje h ILE 5 Cb 1.36 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1rje h ILE 5 CO 0.14 0.48 -0.34 1.56 0.00 0.00 0.00 178.15 179.99 1rje h GLN 6 N 0.22 0.00 -0.00 2.37 4.20 -1.49 -3.11 115.11 117.31 1rje h GLN 6 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1rje h GLN 6 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1rje h GLN 6 CO 0.07 0.34 -0.05 1.04 -0.67 0.00 0.00 178.83 179.57 1rje n GLN 7 N -3.55 0.60 0.27 1.46 6.02 -0.97 -3.04 117.38 118.17 1rje n GLN 7 Ca -0.00 -0.10 0.16 0.00 -0.01 0.00 0.00 57.00 57.05 1rje n GLN 7 Cb 0.48 -1.50 0.60 0.00 1.02 0.00 0.00 30.24 30.85 1rje n GLN 7 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1rje h THR 8 N 0.25 0.02 0.00 5.09 1.35 -1.53 -2.90 112.91 115.18 1rje h THR 8 Ca 0.00 -0.60 -0.07 0.00 -0.55 0.00 0.00 66.41 65.18 1rje h THR 8 Cb 0.29 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1rje h THR 8 CO 0.00 0.01 -0.35 -0.78 -0.25 0.00 0.00 175.52 174.14 1rje h ASP 9 N 0.00 0.00 0.47 5.36 3.58 -1.75 -2.74 116.42 121.33 1rje h ASP 9 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1rje h ASP 9 Cb 0.59 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1rje h ASP 9 CO 0.00 0.35 -0.34 1.88 -2.88 0.00 0.00 179.24 178.26 1rje h TYR 10 N 0.00 0.00 0.01 0.28 0.99 -1.72 -0.23 116.97 116.30 1rje h TYR 10 Ca -0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1rje h TYR 10 Cb 0.70 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.43 1rje h TYR 10 CO 0.00 0.34 -0.94 -0.44 -0.00 0.00 0.00 178.16 177.12 1rje h ASP 11 N 0.00 0.37 0.99 3.88 3.32 -1.63 -2.52 116.42 120.83 1rje h ASP 11 Ca -0.00 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1rje h ASP 11 Cb 0.66 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1rje h ASP 11 CO 0.04 1.12 -0.34 0.00 -1.72 0.00 0.00 179.24 178.35 1rje h ALA 12 N 0.85 0.95 0.00 3.45 0.00 -1.16 -2.51 119.26 120.84 1rje h ALA 12 Ca -0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1rje h ALA 12 Cb 1.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1rje h ALA 12 CO 0.15 0.42 -1.11 1.25 0.00 0.00 0.00 179.25 179.97 1rje h LEU 13 N 0.00 0.00 -0.64 0.00 5.85 -1.10 -2.95 115.31 116.47 1rje h LEU 13 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1rje h LEU 13 Cb 0.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1rje h LEU 13 CO 0.04 0.49 -0.61 0.28 -0.34 0.00 0.00 178.44 178.31 1rje h SER 14 N 0.00 0.28 -0.18 1.25 0.02 -1.34 -2.48 113.55 111.10 1rje h SER 14 Ca -0.10 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 1rje h SER 14 Cb 1.46 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1rje h SER 14 CO 0.05 0.82 -0.38 0.00 -1.14 0.00 0.00 176.83 176.17 1rje h LYS 16 N 0.23 0.58 0.00 0.00 1.63 -1.53 -2.17 116.57 115.32 1rje h LYS 16 Ca 0.00 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1rje h LYS 16 Cb 0.99 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1rje h LYS 16 CO 0.08 0.82 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.53 1rje h LEU 17 N 0.49 0.00 0.02 5.20 3.38 -1.52 -2.86 115.31 120.03 1rje h LEU 17 Ca 0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 1rje h LEU 17 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1rje h LEU 17 CO 0.06 0.02 -1.12 0.00 0.09 0.00 0.00 178.44 177.49 1rje h ALA 18 N 1.98 0.35 -0.09 1.53 0.00 -1.31 -2.67 119.26 119.06 1rje h ALA 18 Ca -0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 54.91 53.71 1rje h ALA 18 Cb 1.01 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1rje h ALA 18 CO 0.00 1.24 -0.88 0.00 0.00 0.00 0.00 179.25 179.61 1rje h ALA 19 N 0.92 0.27 -0.04 0.00 0.00 -1.42 -3.05 119.26 115.93 1rje h ALA 19 Ca -0.06 -0.64 -0.19 0.00 0.00 0.00 0.00 54.91 54.02 1rje h ALA 19 Cb 1.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1rje h ALA 19 CO 0.14 0.70 -0.77 0.82 0.00 0.00 0.00 179.25 180.14 1rje h ILE 20 N 0.45 1.41 0.00 0.00 2.04 -1.60 -0.33 117.51 119.48 1rje h ILE 20 Ca -0.08 -2.28 -0.12 0.00 1.00 0.00 0.00 64.86 63.39 1rje h ILE 20 Cb 1.51 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1rje h ILE 20 CO 0.17 0.68 -0.55 -1.28 0.00 0.00 0.00 178.15 177.17 1rje h SER 21 N 0.21 0.00 0.39 1.72 0.87 -1.54 -3.16 113.55 112.03 1rje h SER 21 Ca -0.04 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.21 1rje h SER 21 Cb 1.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1rje h SER 21 CO 0.13 0.55 -1.61 0.58 -0.53 0.00 0.00 176.83 175.95 1rje h VAL 22 N 0.00 1.07 0.00 2.23 2.07 -1.56 -3.49 116.25 116.57 1rje h VAL 22 Ca -0.01 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1rje h VAL 22 Cb 1.00 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1rje h VAL 22 CO 0.07 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.09 1rje n GLY 23 N 1.72 1.11 0.27 2.17 0.00 -0.89 -4.98 105.19 104.59 1rje n GLY 23 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1rje n GLY 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rje h TYR 24 N 0.00 0.28 -3.16 1.61 0.05 -1.36 -3.40 116.97 110.99 1rje h TYR 24 Ca 0.00 0.04 -0.64 0.00 0.05 0.00 0.00 58.73 58.18 1rje h TYR 24 Cb 0.00 -0.01 -0.17 0.00 1.01 0.00 0.00 36.73 37.57 1rje h TYR 24 CO 0.00 -0.10 -0.78 -0.51 -1.05 0.00 0.00 178.16 175.73 1rje s LEU 25 N -10.59 2.70 0.23 3.88 1.43 -1.08 -4.09 118.68 111.15 1rje s LEU 25 Ca -0.13 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 51.98 1rje s LEU 25 Cb 0.22 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.93 1rje s LEU 25 CO 0.76 0.12 0.89 -2.16 0.23 0.00 0.00 176.35 176.19 1rje s PRO 26 N -2.69 4.74 -0.54 1.29 0.04 -1.26 -4.23 135.00 132.34 1rje s PRO 26 Ca 0.22 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1rje s PRO 26 Cb -0.09 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.29 1rje s PRO 26 CO 0.12 0.51 0.79 0.45 0.04 0.00 0.00 177.00 178.91 1rje s SER 27 N -1.23 6.27 0.53 6.66 0.15 -1.26 -4.94 113.70 119.88 1rje s SER 27 Ca 0.41 -0.70 0.33 0.00 0.70 0.00 0.00 55.95 56.68 1rje s SER 27 Cb -0.24 -2.36 1.38 0.00 -1.71 0.00 0.00 66.02 63.09 1rje s SER 27 CO 0.29 -1.09 1.98 0.77 1.20 0.00 0.00 173.24 176.40 1rje h SER 28 N 9.18 0.00 0.00 5.45 4.64 -1.95 -2.34 113.55 128.53 1rje h SER 28 Ca -0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1rje h SER 28 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1rje h SER 28 CO 1.04 0.00 -0.24 1.23 -0.87 0.00 0.00 176.83 177.99 1rje h GLY 29 N 1.98 0.00 1.13 -0.77 0.00 -1.92 -2.17 103.07 101.32 1rje h GLY 29 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1rje h GLY 29 CO 0.00 0.00 -0.81 1.41 0.00 0.00 0.00 176.54 177.14 1rje h LEU 30 N -1.00 0.88 -0.04 3.11 3.38 -1.97 -3.01 115.31 116.66 1rje h LEU 30 Ca -0.06 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1rje h LEU 30 Cb 0.84 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1rje h LEU 30 CO -0.04 1.42 0.00 0.00 0.09 0.00 0.00 178.44 179.91 1rje n GLN 31 N -3.96 0.15 -3.58 1.13 6.02 -0.88 -4.51 117.38 111.75 1rje n GLN 31 Ca -0.09 0.15 -0.23 0.00 -0.01 0.00 0.00 57.00 56.82 1rje n GLN 31 Cb 0.77 -1.68 0.08 0.00 1.02 0.00 0.00 30.24 30.42 1rje n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rje n ARG 32 N -1.95 -7.84 -3.19 -1.09 1.74 -1.04 -4.99 116.66 98.29 1rje n ARG 32 Ca 0.06 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.62 1rje n ARG 32 Cb 0.37 -5.86 -0.06 0.00 -1.02 0.00 0.00 32.46 25.90 1rje n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rje s LEU 33 N -7.19 4.23 0.00 0.55 1.43 -0.84 -5.01 118.68 111.84 1rje s LEU 33 Ca 0.54 1.25 -0.08 0.00 -1.03 0.00 0.00 54.13 54.82 1rje s LEU 33 Cb -0.24 -3.70 0.11 0.00 0.03 0.00 0.00 46.19 42.39 1rje s LEU 33 CO 0.72 -0.05 0.65 -1.54 0.23 0.00 0.00 176.35 176.37 1rje n SER 34 N 0.28 0.06 -0.11 2.29 3.41 -1.26 -4.76 113.62 113.52 1rje n SER 34 Ca -0.01 -1.24 -0.13 0.00 -0.26 0.00 0.00 58.87 57.24 1rje n SER 34 Cb 0.52 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1rje n SER 34 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rje h VAL 35 N -1.37 1.28 -0.10 -3.33 2.07 -1.98 -1.92 116.25 110.90 1rje h VAL 35 Ca -0.21 -1.48 -0.17 0.00 0.82 0.00 0.00 66.70 65.66 1rje h VAL 35 Cb 0.58 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1rje h VAL 35 CO 0.15 0.49 -0.61 0.44 0.02 0.00 0.00 177.57 178.06 1rje h ASP 36 N 0.64 0.71 1.03 0.57 3.32 -2.00 -3.11 116.42 117.58 1rje h ASP 36 Ca 0.06 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1rje h ASP 36 Cb 0.89 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1rje h ASP 36 CO 0.08 1.25 0.00 0.18 -1.72 0.00 0.00 179.24 179.03 1rje n LEU 37 N -4.14 0.67 0.10 1.55 4.77 -1.23 -1.32 117.00 117.41 1rje n LEU 37 Ca -0.08 0.62 -0.20 0.00 -0.03 0.00 0.00 56.01 56.32 1rje n LEU 37 Cb 0.66 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1rje n LEU 37 CO 0.48 -0.37 -0.05 0.28 -1.33 0.00 0.00 177.39 176.40 1rje h SER 38 N 0.00 0.70 0.06 -1.43 0.02 -1.37 -2.19 113.55 109.34 1rje h SER 38 Ca 0.00 -0.67 -0.11 0.00 -0.84 0.00 0.00 61.79 60.17 1rje h SER 38 Cb 0.52 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1rje h SER 38 CO 0.00 1.50 -0.34 0.50 -1.14 0.00 0.00 176.83 177.34 1rje h LYS 39 N 0.20 0.41 0.00 3.45 3.64 -1.39 -3.10 116.57 119.77 1rje h LYS 39 Ca -0.17 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 58.90 1rje h LYS 39 Cb 1.92 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.71 1rje h LYS 39 CO 0.22 0.70 -0.63 0.87 -2.27 0.00 0.00 179.45 178.35 1rje h LYS 40 N 0.35 0.00 -0.57 1.90 1.79 -1.23 -2.25 116.57 116.56 1rje h LYS 40 Ca 0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 1rje h LYS 40 Cb 0.77 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1rje h LYS 40 CO 0.06 0.63 -0.06 -0.92 -1.08 0.00 0.00 179.45 178.08 1rje h TYR 41 N 0.00 1.15 -0.10 -1.35 3.20 -1.32 -0.59 116.97 117.95 1rje h TYR 41 Ca -0.01 -0.22 -0.20 0.00 3.14 0.00 0.00 58.73 61.45 1rje h TYR 41 Cb 1.27 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 1rje h TYR 41 CO 0.00 1.04 -0.74 1.15 -1.64 0.00 0.00 178.16 177.97 1rje h THR 42 N 0.93 1.35 0.00 1.81 2.02 -1.52 -3.15 112.91 114.34 1rje h THR 42 Ca 0.15 -2.09 -0.07 0.00 0.77 0.00 0.00 66.41 65.18 1rje h THR 42 Cb 0.62 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1rje h THR 42 CO 0.04 0.64 -0.33 -0.33 0.37 0.00 0.00 175.52 175.90 1rje h GLU 43 N 0.36 0.00 0.20 6.66 5.08 -1.27 -2.40 114.58 123.21 1rje h GLU 43 Ca -0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.01 1rje h GLU 43 Cb 1.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.61 1rje h GLU 43 CO 0.14 0.33 -1.41 -1.49 -1.00 0.00 0.00 179.01 175.59 1rje h TRP 44 N 0.00 0.78 -0.05 4.33 6.55 -1.19 -2.83 115.95 123.54 1rje h TRP 44 Ca -0.00 -0.57 -0.20 0.00 0.95 0.00 0.00 58.89 59.06 1rje h TRP 44 Cb 1.19 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 29.46 1rje h TRP 44 CO 0.00 1.46 -0.82 0.45 -1.05 0.00 0.00 178.44 178.48 1rje h HIS 45 N 0.12 0.62 -0.26 0.49 3.86 -1.59 -2.34 115.15 116.05 1rje h HIS 45 Ca -0.21 -0.30 -0.12 0.00 -1.16 0.00 0.00 60.37 58.57 1rje h HIS 45 Cb 2.09 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.47 1rje h HIS 45 CO 0.10 1.09 -0.35 0.00 0.86 0.00 0.00 177.93 179.63 1rje h ARG 46 N 0.28 0.56 0.00 2.45 3.08 -1.54 -2.76 114.38 116.46 1rje h ARG 46 Ca -0.05 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1rje h ARG 46 Cb 1.42 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1rje h ARG 46 CO 0.14 0.84 0.00 1.03 -1.07 0.00 0.00 179.97 180.91 1rje h SER 47 N 0.48 0.00 0.89 7.04 0.87 -1.50 -2.88 113.55 118.44 1rje h SER 47 Ca 0.05 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.41 1rje h SER 47 Cb 0.84 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1rje h SER 47 CO 0.07 0.00 -0.95 0.22 -0.53 0.00 0.00 176.83 175.64 1rje h TYR 48 N 0.00 0.06 0.01 2.24 3.20 -1.15 -2.72 116.97 118.60 1rje h TYR 48 Ca 0.00 -0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.58 1rje h TYR 48 Cb 0.76 -0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.05 1rje h TYR 48 CO 0.00 0.96 -0.98 1.25 -1.64 0.00 0.00 178.16 177.75 1rje h LEU 49 N 0.01 0.84 -0.66 2.82 5.85 -1.42 -2.33 115.31 120.43 1rje h LEU 49 Ca -0.02 -0.75 -0.12 0.00 0.84 0.00 0.00 57.88 57.83 1rje h LEU 49 Cb 1.66 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1rje h LEU 49 CO 0.13 1.49 -0.28 0.40 -0.34 0.00 0.00 178.44 179.84 1rje h ILE 50 N 0.29 1.28 0.00 4.05 2.04 -1.61 -2.78 117.51 120.78 1rje h ILE 50 Ca -0.13 -1.41 -0.13 0.00 1.00 0.00 0.00 64.86 64.20 1rje h ILE 50 Cb 1.65 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1rje h ILE 50 CO 0.19 0.46 -0.61 0.74 0.00 0.00 0.00 178.15 178.94 1rje h THR 51 N 0.63 1.22 0.00 -0.27 2.02 -1.56 -2.96 112.91 112.00 1rje h THR 51 Ca 0.08 -2.25 -0.06 0.00 0.77 0.00 0.00 66.41 64.95 1rje h THR 51 Cb 0.79 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1rje h THR 51 CO 0.07 0.59 -0.31 0.25 0.37 0.00 0.00 175.52 176.49 1rje h LEU 52 N 0.00 0.00 -0.47 2.58 5.85 -1.25 -2.77 115.31 119.25 1rje h LEU 52 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1rje h LEU 52 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1rje h LEU 52 CO 0.08 0.31 -0.15 0.50 -0.34 0.00 0.00 178.44 178.84 1rje h LYS 53 N 0.00 0.92 -0.60 1.25 3.64 -1.32 -1.55 116.57 118.91 1rje h LYS 53 Ca -0.00 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1rje h LYS 53 Cb 0.67 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1rje h LYS 53 CO 0.04 1.03 0.20 -0.22 -2.27 0.00 0.00 179.45 178.22 1rje h LYS 54 N 0.77 0.90 -0.01 1.90 3.64 -1.48 -3.17 116.57 119.13 1rje h LYS 54 Ca 0.11 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1rje h LYS 54 Cb 0.71 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1rje h LYS 54 CO 0.05 0.77 -0.57 1.19 -2.27 0.00 0.00 179.45 178.63 1rje n PHE 55 N -4.29 0.00 -3.52 1.91 3.72 -1.10 -4.91 117.46 109.26 1rje n PHE 55 Ca 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.44 1rje n PHE 55 Cb 0.20 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 1rje n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rje s SER 56 N -2.70 -0.69 0.04 4.37 0.15 -0.59 -5.02 113.70 109.26 1rje s SER 56 Ca 0.16 0.99 0.01 0.00 0.70 0.00 0.00 55.95 57.81 1rje s SER 56 Cb 0.18 1.65 -0.26 0.00 -1.71 0.00 0.00 66.02 65.88 1rje s SER 56 CO 0.66 -0.14 1.01 -0.09 1.20 0.00 0.00 173.24 175.88 1rje h ARG 57 N 7.20 0.17 -0.07 5.44 2.43 -1.82 -3.08 114.38 124.65 1rje h ARG 57 Ca -0.20 -0.29 -0.16 0.00 -0.81 0.00 0.00 59.98 58.52 1rje h ARG 57 Cb 1.14 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1rje h ARG 57 CO 0.12 1.05 -0.57 -0.09 -1.51 0.00 0.00 179.97 178.97 1rje h ARG 58 N 0.05 0.51 -0.11 0.20 2.43 -1.95 -2.30 114.38 113.21 1rje h ARG 58 Ca -0.16 -0.46 -0.16 0.00 -0.81 0.00 0.00 59.98 58.39 1rje h ARG 58 Cb 1.95 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 1rje h ARG 58 CO 0.16 1.09 -0.62 0.00 -1.51 0.00 0.00 179.97 179.09 1rje h ALA 59 N 0.43 0.72 0.00 2.80 0.00 -1.91 -2.74 119.26 118.57 1rje h ALA 59 Ca -0.05 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 1rje h ALA 59 Cb 1.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1rje h ALA 59 CO 0.12 0.72 -0.53 0.35 0.00 0.00 0.00 179.25 179.91 1rje h PHE 60 N 0.30 0.00 -0.12 0.00 3.57 -1.61 -2.68 116.94 116.39 1rje h PHE 60 Ca -0.01 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1rje h PHE 60 Cb 1.15 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1rje h PHE 60 CO 0.04 0.53 -0.67 0.78 -2.23 0.00 0.00 178.31 176.75 1rje h GLY 61 N 1.73 0.55 2.00 2.40 0.00 -1.24 -1.45 103.07 107.06 1rje h GLY 61 Ca -0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 47.33 46.39 1rje h GLY 61 CO 0.07 0.65 -0.95 0.50 0.00 0.00 0.00 176.54 176.81 1rje h LYS 62 N 0.36 0.00 0.16 4.80 1.57 -1.51 -2.98 116.57 118.97 1rje h LYS 62 Ca -0.02 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 1rje h LYS 62 Cb 1.24 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.57 1rje h LYS 62 CO 0.12 0.95 -1.30 0.28 -0.57 0.00 0.00 179.45 178.93 1rje h VAL 63 N 0.00 1.43 -0.00 0.50 2.07 -1.49 -3.12 116.25 115.64 1rje h VAL 63 Ca -0.01 -2.93 -0.23 0.00 0.82 0.00 0.00 66.70 64.35 1rje h VAL 63 Cb 1.69 2.96 0.02 0.00 -1.52 0.00 0.00 31.29 34.43 1rje h VAL 63 CO 0.12 0.86 -0.90 -0.78 0.02 0.00 0.00 177.57 176.89 1rje h ASP 64 N 0.11 0.80 -0.15 0.57 3.58 -1.36 -2.45 116.42 117.52 1rje h ASP 64 Ca -0.17 -0.74 -0.18 0.00 0.42 0.00 0.00 57.03 56.36 1rje h ASP 64 Cb 2.02 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.82 1rje h ASP 64 CO 0.23 1.44 -0.58 0.11 -2.88 0.00 0.00 179.24 177.55 1rje h LYS 65 N 0.25 0.75 0.00 0.28 1.57 -1.67 -2.84 116.57 114.90 1rje h LYS 65 Ca -0.11 -0.49 -0.13 0.00 -1.87 0.00 0.00 60.65 58.05 1rje h LYS 65 Cb 1.57 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 1rje h LYS 65 CO 0.18 1.12 -0.61 0.00 -0.57 0.00 0.00 179.45 179.57 1rje h ALA 66 N 0.77 0.90 -0.17 3.86 0.00 -1.64 -2.85 119.26 120.14 1rje h ALA 66 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1rje h ALA 66 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rje h ALA 66 CO 0.12 0.76 -0.24 1.98 0.00 0.00 0.00 179.25 181.87 1rje h MET 67 N 0.00 0.47 0.00 0.00 1.85 -1.39 -3.07 114.93 112.79 1rje h MET 67 Ca -0.01 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 1rje h MET 67 Cb 1.14 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.19 1rje h MET 67 CO 0.08 0.86 0.00 0.00 -0.40 0.00 0.00 176.91 177.45 1rje h ARG 68 N 0.11 0.00 -0.59 0.39 3.08 -1.57 -3.05 114.38 112.75 1rje h ARG 68 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1rje h ARG 68 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1rje h ARG 68 CO 0.06 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.83 1rje n SER 69 N -2.44 5.64 -4.73 7.04 3.41 -1.07 -4.98 113.62 116.49 1rje n SER 69 Ca 0.05 -2.88 -0.41 0.00 -0.26 0.00 0.00 58.87 55.37 1rje n SER 69 Cb 0.44 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 1rje n SER 69 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rje s SER 70 N -0.79 7.29 0.38 4.04 0.15 -1.15 -5.02 113.70 118.60 1rje s SER 70 Ca 0.54 1.99 -0.01 0.00 0.70 0.00 0.00 55.95 59.17 1rje s SER 70 Cb 0.41 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1rje s SER 70 CO 0.17 -0.23 0.61 -0.36 1.20 0.00 0.00 173.24 174.63 1rje s PHE 71 N 0.10 3.52 0.40 3.44 0.08 -1.26 -5.00 117.98 119.25 1rje s PHE 71 Ca 0.51 0.49 0.13 0.00 0.12 0.00 0.00 56.93 58.18 1rje s PHE 71 Cb -0.28 -2.02 0.96 0.00 -0.57 0.00 0.00 43.02 41.11 1rje s PHE 71 CO 0.32 0.02 1.90 -1.35 -0.10 0.00 0.00 175.22 176.02 1rje h PRO 72 N 0.67 0.51 -0.65 0.24 0.11 -1.97 -2.73 132.00 128.19 1rje h PRO 72 Ca -0.49 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1rje h PRO 72 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1rje h PRO 72 CO 0.62 0.34 0.12 -0.24 -0.21 0.00 0.00 178.00 178.63 1rje h VAL 73 N 0.53 1.26 0.00 3.15 3.04 -1.94 -2.33 116.25 119.95 1rje h VAL 73 Ca 0.40 -0.98 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 1rje h VAL 73 Cb 0.78 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1rje h VAL 73 CO -0.15 0.37 -0.20 0.24 -1.01 0.00 0.00 177.57 176.82 1rje h MET 74 N 0.99 0.00 0.00 4.17 2.86 -1.90 -2.79 114.93 118.26 1rje h MET 74 Ca 0.20 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1rje h MET 74 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1rje h MET 74 CO 0.01 0.20 -0.33 -0.91 1.06 0.00 0.00 176.91 176.94 1rje h ASN 75 N 0.00 0.00 0.90 1.22 2.35 -1.21 -2.31 115.58 116.53 1rje h ASN 75 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1rje h ASN 75 Cb 1.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1rje h ASN 75 CO 0.03 0.33 -0.91 1.88 -1.65 0.00 0.00 177.43 177.10 1rje h TYR 76 N 0.00 0.01 0.00 1.19 -1.99 -1.30 -2.79 116.97 112.09 1rje h TYR 76 Ca -0.00 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 1rje h TYR 76 Cb 1.12 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.83 1rje h TYR 76 CO 0.00 0.92 -0.64 0.78 -0.00 0.00 0.00 178.16 179.22 1rje h GLY 77 N 2.70 0.00 1.82 3.88 0.00 -1.38 -2.80 103.07 107.29 1rje h GLY 77 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 1rje h GLY 77 CO 0.12 0.00 -1.10 -0.84 0.00 0.00 0.00 176.54 174.72 1rje h THR 78 N 0.00 1.60 -0.15 4.70 2.02 -1.46 -2.82 112.91 116.80 1rje h THR 78 Ca -0.01 -3.20 -0.04 0.00 0.77 0.00 0.00 66.41 63.93 1rje h THR 78 Cb 1.20 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 70.47 1rje h THR 78 CO 0.08 0.93 -0.06 0.22 0.37 0.00 0.00 175.52 177.06 1rje h TYR 79 N 0.04 0.36 -0.06 3.16 3.20 -1.49 -2.29 116.97 119.89 1rje h TYR 79 Ca -0.07 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.62 1rje h TYR 79 Cb 1.84 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.02 1rje h TYR 79 CO 0.03 0.62 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.69 1rje h LEU 80 N -0.01 0.13 -0.85 2.82 3.38 -1.61 -1.92 115.31 117.25 1rje h LEU 80 Ca 0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1rje h LEU 80 Cb 0.52 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1rje h LEU 80 CO 0.02 0.53 -0.26 -0.09 0.09 0.00 0.00 178.44 178.73 1rje h ARG 81 N 0.11 0.57 0.05 1.13 2.43 -1.44 -2.35 114.38 114.88 1rje h ARG 81 Ca 0.01 -0.22 -0.24 0.00 -0.81 0.00 0.00 59.98 58.72 1rje h ARG 81 Cb 0.77 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1rje h ARG 81 CO 0.06 0.78 -1.25 1.15 -1.51 0.00 0.00 179.97 179.19 1rje h THR 82 N 0.50 1.02 0.00 0.20 2.02 -1.25 -3.28 112.91 112.12 1rje h THR 82 Ca 0.07 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1rje h THR 82 Cb 0.71 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1rje h THR 82 CO 0.05 0.55 0.00 -0.37 0.37 0.00 0.00 175.52 176.12 1rje h VAL 83 N -0.64 0.00 0.03 3.16 -1.51 -1.48 -1.88 116.25 113.93 1rje h VAL 83 Ca -0.30 -0.46 -0.10 0.00 -1.23 0.00 0.00 66.70 64.60 1rje h VAL 83 Cb 1.51 1.41 0.01 0.00 -2.13 0.00 0.00 31.29 32.08 1rje h VAL 83 CO -0.06 0.00 -0.41 1.23 -1.23 0.00 0.00 177.57 177.10 1rje h GLY 84 N 3.95 0.26 1.96 5.19 0.00 -1.58 -2.42 103.07 110.43 1rje h GLY 84 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1rje h GLY 84 CO 0.00 0.45 -0.53 -2.22 0.00 0.00 0.00 176.54 174.24 1rje h ILE 85 N -0.44 1.38 -0.05 2.60 2.04 -1.60 -3.09 117.51 118.35 1rje h ILE 85 Ca -0.06 -1.82 -0.18 0.00 1.00 0.00 0.00 64.86 63.80 1rje h ILE 85 Cb 1.20 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1rje h ILE 85 CO 0.08 0.52 -0.74 0.44 0.00 0.00 0.00 178.15 178.45 1rje h ASP 86 N 0.03 0.35 0.21 1.72 3.32 -1.42 -2.40 116.42 118.24 1rje h ASP 86 Ca -0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 1rje h ASP 86 Cb 0.95 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1rje h ASP 86 CO 0.07 0.97 -0.43 0.00 -1.72 0.00 0.00 179.24 178.13 1rje h ALA 87 N 1.02 1.04 0.02 3.45 0.00 -1.39 -1.63 119.26 121.78 1rje h ALA 87 Ca -0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1rje h ALA 87 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1rje h ALA 87 CO 0.12 0.61 -0.94 0.00 0.00 0.00 0.00 179.25 179.04 1rje h ALA 88 N 1.32 0.42 -0.12 0.00 0.00 -1.51 -3.09 119.26 116.28 1rje h ALA 88 Ca 0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 1rje h ALA 88 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rje h ALA 88 CO 0.07 0.92 -0.21 0.82 0.00 0.00 0.00 179.25 180.85 1rje h ILE 89 N 0.12 1.38 0.00 0.00 2.04 -1.30 -3.21 117.51 116.54 1rje h ILE 89 Ca -0.06 -1.48 -0.08 0.00 1.00 0.00 0.00 64.86 64.24 1rje h ILE 89 Cb 1.59 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1rje h ILE 89 CO 0.15 0.43 -0.38 -0.07 0.00 0.00 0.00 178.15 178.28 1rje h LEU 90 N -0.07 0.00 -0.65 1.44 3.38 -1.40 -1.33 115.31 116.68 1rje h LEU 90 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1rje h LEU 90 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1rje h LEU 90 CO 0.05 0.38 -0.46 -0.33 0.09 0.00 0.00 178.44 178.17 1rje h GLU 91 N 0.00 0.52 0.01 1.13 5.08 -1.63 -2.78 114.58 116.90 1rje h GLU 91 Ca -0.00 -0.28 -0.20 0.00 -1.00 0.00 0.00 59.36 57.87 1rje h GLU 91 Cb 0.93 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1rje h GLU 91 CO 0.05 0.87 -0.95 0.35 -1.00 0.00 0.00 179.01 178.33 1rje h PHE 92 N 0.42 0.03 0.00 4.33 3.57 -1.46 -3.11 116.94 120.72 1rje h PHE 92 Ca 0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1rje h PHE 92 Cb 0.96 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1rje h PHE 92 CO 0.04 0.96 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.69 1rje h LEU 93 N 0.01 0.00 0.13 0.59 3.38 -1.27 -1.93 115.31 116.22 1rje h LEU 93 Ca -0.02 -0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 1rje h LEU 93 Cb 1.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1rje h LEU 93 CO 0.13 0.02 -1.54 0.58 0.09 0.00 0.00 178.44 177.72 1rje h VAL 94 N 0.00 0.97 0.00 1.22 2.07 -1.59 -3.36 116.25 115.56 1rje h VAL 94 Ca 0.00 -2.42 -0.11 0.00 0.82 0.00 0.00 66.70 64.99 1rje h VAL 94 Cb 0.88 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1rje h VAL 94 CO 0.00 0.75 -0.52 0.00 0.02 0.00 0.00 177.57 177.82 1rje h ALA 95 N -0.01 1.13 -3.44 1.67 0.00 -1.62 -3.41 119.26 113.59 1rje h ALA 95 Ca -0.33 -0.48 -0.63 0.00 0.00 0.00 0.00 54.91 53.48 1rje h ALA 95 Cb 1.86 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 19.19 1rje h ALA 95 CO 0.08 0.65 -0.82 -0.80 0.00 0.00 0.00 179.25 178.37 1rje s ASN 96 N -6.88 3.51 -0.05 0.00 0.01 -0.72 -5.03 114.94 105.78 1rje s ASN 96 Ca -0.02 -0.93 -0.23 0.00 -0.71 0.00 0.00 52.86 50.97 1rje s ASN 96 Cb 0.13 -1.31 -0.18 0.00 0.41 0.00 0.00 41.25 40.30 1rje s ASN 96 CO 0.75 -0.13 0.99 -0.08 -1.51 0.00 0.00 177.10 177.11 1rje h GLU 97 N 7.94 -0.14 -5.53 -0.60 4.81 -1.80 -3.39 114.58 115.87 1rje h GLU 97 Ca -0.29 0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.32 1rje h GLU 97 Cb 1.09 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.36 1rje h GLU 97 CO 0.49 0.36 0.45 0.21 -0.73 0.00 0.00 179.01 179.79 1rje s LYS 98 N -3.58 3.21 0.06 1.92 2.20 -1.26 -4.47 119.74 117.82 1rje s LYS 98 Ca -0.14 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1rje s LYS 98 Cb 0.00 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1rje s LYS 98 CO 0.55 -1.54 -0.10 0.08 -0.36 0.00 0.00 175.35 173.98 1rje s VAL 99 N 3.70 0.75 -0.06 4.02 1.01 -1.19 -4.14 120.40 124.49 1rje s VAL 99 Ca 0.24 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1rje s VAL 99 Cb -0.15 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1rje s VAL 99 CO 0.15 -0.35 -0.19 0.00 0.00 0.00 0.00 175.10 174.71 1rje s GLN 100 N -1.73 2.11 -0.03 2.72 -2.07 -0.72 -1.42 119.66 118.52 1rje s GLN 100 Ca -0.06 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 52.81 1rje s GLN 100 Cb -0.09 -1.76 -0.03 0.00 -1.09 0.00 0.00 33.01 30.03 1rje s GLN 100 CO 0.01 0.23 -0.01 0.08 -1.32 0.00 0.00 175.29 174.28 1rje s VAL 101 N 0.13 4.09 -0.49 3.63 1.01 -0.95 -2.24 120.40 125.58 1rje s VAL 101 Ca -0.07 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1rje s VAL 101 Cb -0.13 -2.78 0.15 0.00 0.00 0.00 0.00 36.38 33.61 1rje s VAL 101 CO 0.04 0.45 0.30 -0.69 0.00 0.00 0.00 175.10 175.20 1rje s VAL 102 N -1.00 1.61 -0.92 2.92 1.01 -0.96 -0.72 120.40 122.33 1rje s VAL 102 Ca 0.17 -2.94 -0.24 0.00 0.00 0.00 0.00 61.98 58.97 1rje s VAL 102 Cb -0.11 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1rje s VAL 102 CO 0.07 -0.96 1.77 0.21 0.00 0.00 0.00 175.10 176.20 1rje s ASN 103 N -0.06 5.60 0.11 3.32 3.84 -0.62 -2.74 114.94 124.39 1rje s ASN 103 Ca 0.21 -0.87 -0.31 0.00 0.21 0.00 0.00 52.86 52.11 1rje s ASN 103 Cb -0.17 -2.56 -0.07 0.00 -0.55 0.00 0.00 41.25 37.90 1rje s ASN 103 CO -0.06 -2.32 1.24 -0.76 -2.79 0.00 0.00 177.10 172.42 1rje s LEU 104 N 8.32 4.39 -1.02 3.21 1.43 0.29 -2.41 118.68 132.89 1rje s LEU 104 Ca 0.61 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 55.84 1rje s LEU 104 Cb -0.05 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1rje s LEU 104 CO -0.02 -0.48 0.87 0.61 0.23 0.00 0.00 176.35 177.55 1rje n GLY 105 N 2.98 -0.56 0.24 -3.19 0.00 -0.59 -4.06 105.19 99.99 1rje n GLY 105 Ca 0.08 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1rje n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rje n GLY 107 N 0.05 3.21 1.56 0.00 0.00 -1.26 -2.61 105.19 106.14 1rje n GLY 107 Ca -0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1rje n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rje n SER 108 N 8.59 3.84 -4.71 1.61 7.64 -1.26 -4.90 113.62 124.43 1rje n SER 108 Ca 0.00 -3.79 -0.42 0.00 1.01 0.00 0.00 58.87 55.67 1rje n SER 108 Cb 0.00 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 1rje n SER 108 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rje s ASP 109 N -2.75 7.23 -0.25 6.43 2.15 -1.07 -4.95 116.67 123.46 1rje s ASP 109 Ca 0.49 1.79 0.09 0.00 0.43 0.00 0.00 52.55 55.36 1rje s ASP 109 Cb 0.42 -2.57 0.44 0.00 -0.30 0.00 0.00 42.92 40.92 1rje s ASP 109 CO 0.00 -0.37 1.27 0.18 -0.17 0.00 0.00 175.17 176.08 1rje n LEU 110 N 4.08 3.55 0.18 -1.34 4.77 -1.26 -4.66 117.00 122.32 1rje n LEU 110 Ca 0.08 -4.09 0.13 0.00 -0.03 0.00 0.00 56.01 52.10 1rje n LEU 110 Cb 0.49 -0.51 0.34 0.00 -2.33 0.00 0.00 43.42 41.40 1rje n LEU 110 CO 0.54 1.55 0.86 0.08 -1.33 0.00 0.00 177.39 179.08 1rje h ARG 111 N 1.29 0.00 0.00 3.23 0.11 -2.00 -3.20 114.38 113.80 1rje h ARG 111 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1rje h ARG 111 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1rje h ARG 111 CO 0.27 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.34 1rje h MET 112 N 0.00 0.00 0.30 0.08 -0.00 -1.99 -2.91 114.93 110.42 1rje h MET 112 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1rje h MET 112 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1rje h MET 112 CO 0.00 0.00 -0.15 -0.07 -0.00 0.00 0.00 176.91 176.69 1rje h LEU 113 N 0.00 -0.35 -0.88 -0.10 3.38 -1.92 -2.25 115.31 113.19 1rje h LEU 113 Ca 0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1rje h LEU 113 Cb 0.65 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1rje h LEU 113 CO 0.00 0.05 -0.41 1.55 0.09 0.00 0.00 178.44 179.72 1rje h PRO 114 N -0.80 0.00 -0.19 1.13 0.13 -1.77 -3.24 132.00 127.26 1rje h PRO 114 Ca -0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.89 1rje h PRO 114 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1rje h PRO 114 CO 0.07 0.41 -0.67 -0.07 -0.23 0.00 0.00 178.00 177.51 1rje h LEU 115 N 0.00 0.84 -0.78 1.56 3.38 -1.54 -1.79 115.31 116.99 1rje h LEU 115 Ca -0.00 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 1rje h LEU 115 Cb 0.94 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1rje h LEU 115 CO 0.05 1.29 -0.28 -0.07 0.09 0.00 0.00 178.44 179.52 1rje h LEU 116 N 0.53 0.62 -0.21 1.67 3.38 -1.50 -2.40 115.31 117.39 1rje h LEU 116 Ca -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1rje h LEU 116 Cb 1.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1rje h LEU 116 CO 0.14 0.88 0.02 -0.61 0.09 0.00 0.00 178.44 178.96 1rje h GLN 117 N 0.52 0.35 -0.01 1.13 5.75 -1.57 -3.27 115.11 118.02 1rje h GLN 117 Ca 0.07 -0.10 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1rje h GLN 117 Cb 0.75 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1rje h GLN 117 CO 0.06 0.51 -0.46 0.52 -2.65 0.00 0.00 178.83 176.81 1rje h MET 118 N 0.14 0.02 -4.37 1.69 2.86 -1.23 -3.39 114.93 110.65 1rje h MET 118 Ca 0.06 -0.01 -0.64 0.00 -2.06 0.00 0.00 59.70 57.06 1rje h MET 118 Cb 0.34 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.60 1rje h MET 118 CO 0.01 0.48 -0.74 -0.06 1.06 0.00 0.00 176.91 177.65 1rje s PHE 119 N -3.98 3.08 0.45 -0.22 0.08 -0.91 -5.01 117.98 111.46 1rje s PHE 119 Ca -0.02 -2.53 0.17 0.00 0.12 0.00 0.00 56.93 54.67 1rje s PHE 119 Cb 0.14 -2.44 1.11 0.00 -0.57 0.00 0.00 43.02 41.26 1rje s PHE 119 CO 0.74 -0.91 1.95 -1.35 -0.10 0.00 0.00 175.22 175.55 1rje h PRO 120 N 7.77 0.33 -0.84 0.24 0.11 -1.77 -2.72 132.00 135.12 1rje h PRO 120 Ca -0.08 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.56 1rje h PRO 120 Cb 1.02 -0.07 -0.26 0.00 0.11 0.00 0.00 31.00 31.80 1rje h PRO 120 CO 0.49 0.22 0.48 0.72 -0.21 0.00 0.00 178.00 179.70 1rje n HIS 121 N -4.46 2.61 -3.60 0.65 8.25 -1.26 -4.93 115.22 112.48 1rje n HIS 121 Ca 0.12 -1.85 -0.38 0.00 -0.26 0.00 0.00 57.72 55.36 1rje n HIS 121 Cb 0.50 -0.86 -0.11 0.00 1.12 0.00 0.00 29.99 30.64 1rje n HIS 121 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1rje s LEU 122 N -3.31 4.02 0.50 2.41 2.96 -1.03 -3.17 118.68 121.07 1rje s LEU 122 Ca 0.54 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1rje s LEU 122 Cb 0.46 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1rje s LEU 122 CO 0.08 -0.04 0.77 0.00 -1.32 0.00 0.00 176.35 175.84 1rje s ALA 123 N 1.68 3.51 -0.08 5.97 0.00 -0.50 -4.85 121.76 127.49 1rje s ALA 123 Ca 0.07 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 1rje s ALA 123 Cb -0.16 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1rje s ALA 123 CO 0.10 -0.51 0.41 -0.47 0.00 0.00 0.00 175.76 175.29 1rje s TYR 124 N -2.74 -0.36 -0.31 0.00 5.04 -0.82 -2.23 117.35 115.93 1rje s TYR 124 Ca 0.50 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 1rje s TYR 124 Cb -0.10 0.17 0.12 0.00 0.35 0.00 0.00 41.96 42.50 1rje s TYR 124 CO 0.42 -0.36 0.22 0.08 -1.34 0.00 0.00 175.55 174.57 1rje s VAL 125 N -0.72 -0.15 0.16 3.14 1.01 0.10 -1.71 120.40 122.23 1rje s VAL 125 Ca -0.08 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1rje s VAL 125 Cb -0.04 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 1rje s VAL 125 CO 0.04 -0.70 1.15 -1.81 0.00 0.00 0.00 175.10 173.78 1rje s ASP 126 N 1.88 7.17 -0.05 3.32 1.01 -0.09 -1.59 116.67 128.33 1rje s ASP 126 Ca 0.12 2.12 -0.01 0.00 0.71 0.00 0.00 52.55 55.49 1rje s ASP 126 Cb -0.17 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.19 1rje s ASP 126 CO -0.24 -0.32 0.01 -0.63 0.21 0.00 0.00 175.17 174.20 1rje s ILE 127 N 0.08 0.18 0.33 0.77 1.01 -1.01 -2.30 121.20 120.25 1rje s ILE 127 Ca 0.52 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 61.25 1rje s ILE 127 Cb -0.30 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 41.85 1rje s ILE 127 CO 0.34 0.19 0.57 -0.62 0.00 0.00 0.00 174.94 175.43 1rje s ASP 128 N 1.62 0.35 0.74 3.58 -1.08 -1.18 -1.55 116.67 119.15 1rje s ASP 128 Ca -0.01 -1.21 -0.16 0.00 -0.52 0.00 0.00 52.55 50.65 1rje s ASP 128 Cb -0.13 0.70 -0.04 0.00 -1.46 0.00 0.00 42.92 41.99 1rje s ASP 128 CO -0.03 -1.37 0.46 -1.22 0.52 0.00 0.00 175.17 173.53 1rje n TYR 129 N -0.50 -1.06 -0.32 -5.34 4.02 -1.26 -1.88 117.16 110.83 1rje n TYR 129 Ca -0.02 0.33 0.05 0.00 -0.01 0.00 0.00 57.90 58.25 1rje n TYR 129 Cb 0.61 -1.88 0.24 0.00 -0.02 0.00 0.00 39.34 38.28 1rje n TYR 129 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1rje h ASN 130 N -0.46 0.92 0.16 7.72 -0.73 -1.92 -2.00 115.58 119.27 1rje h ASN 130 Ca -0.45 0.02 -0.17 0.00 1.87 0.00 0.00 56.30 57.56 1rje h ASN 130 Cb 1.35 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 1rje h ASN 130 CO 0.41 0.57 -0.65 -0.33 -0.37 0.00 0.00 177.43 177.06 1rje h GLU 131 N 1.03 0.47 -0.19 6.67 3.07 -2.00 -2.89 114.58 120.75 1rje h GLU 131 Ca 0.42 -0.34 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 1rje h GLU 131 Cb 0.27 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1rje h GLU 131 CO -0.17 0.96 -0.42 0.77 -1.40 0.00 0.00 179.01 178.75 1rje h SER 132 N 0.34 0.69 1.49 1.42 0.02 -1.77 -3.08 113.55 112.65 1rje h SER 132 Ca -0.01 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1rje h SER 132 Cb 1.21 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1rje h SER 132 CO 0.12 1.13 0.00 -0.37 -1.14 0.00 0.00 176.83 176.56 1rje h VAL 133 N 0.28 0.00 -0.01 2.27 -1.51 -1.46 -2.37 116.25 113.46 1rje h VAL 133 Ca 0.00 -0.74 -0.16 0.00 -1.23 0.00 0.00 66.70 64.57 1rje h VAL 133 Cb 1.03 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 1rje h VAL 133 CO 0.09 0.00 -0.74 -0.33 -1.23 0.00 0.00 177.57 175.37 1rje h GLU 134 N 0.00 0.04 0.03 5.19 4.39 -1.52 -1.72 114.58 120.99 1rje h GLU 134 Ca 0.00 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.43 1rje h GLU 134 Cb 0.74 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1rje h GLU 134 CO 0.00 0.76 -0.99 1.25 -1.16 0.00 0.00 179.01 178.87 1rje h LEU 135 N 0.03 0.45 -0.57 1.33 5.85 -1.41 -2.87 115.31 118.11 1rje h LEU 135 Ca -0.01 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 1rje h LEU 135 Cb 1.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1rje h LEU 135 CO 0.10 1.21 -0.69 0.50 -0.34 0.00 0.00 178.44 179.22 1rje h LYS 136 N 0.17 0.14 -0.08 1.25 3.64 -1.43 -2.58 116.57 117.68 1rje h LYS 136 Ca -0.08 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1rje h LYS 136 Cb 1.64 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1rje h LYS 136 CO 0.17 0.77 -0.60 -0.97 -2.27 0.00 0.00 179.45 176.54 1rje h ASN 137 N 0.09 0.32 0.20 4.20 -1.24 -1.37 -2.51 115.58 115.26 1rje h ASN 137 Ca -0.01 -0.18 -0.16 0.00 0.71 0.00 0.00 56.30 56.66 1rje h ASN 137 Cb 1.22 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 1rje h ASN 137 CO 0.10 0.84 -0.59 0.28 -1.29 0.00 0.00 177.43 176.77 1rje h SER 138 N 0.21 0.45 0.28 1.15 0.02 -1.43 -2.93 113.55 111.31 1rje h SER 138 Ca -0.01 -0.25 -0.29 0.00 -0.84 0.00 0.00 61.79 60.40 1rje h SER 138 Cb 1.11 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.54 1rje h SER 138 CO 0.10 0.94 -1.25 0.40 -1.14 0.00 0.00 176.83 175.87 1rje h ILE 139 N 0.30 1.34 -0.11 3.27 2.04 -1.42 -2.60 117.51 120.34 1rje h ILE 139 Ca -0.00 -2.63 -0.15 0.00 1.00 0.00 0.00 64.86 63.08 1rje h ILE 139 Cb 1.12 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.97 1rje h ILE 139 CO 0.10 0.79 -0.57 -0.07 0.00 0.00 0.00 178.15 178.40 1rje h LEU 140 N 0.21 0.38 0.00 1.44 3.38 -1.54 -2.95 115.31 116.23 1rje h LEU 140 Ca -0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rje h LEU 140 Cb 1.94 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1rje h LEU 140 CO 0.23 0.87 -0.48 0.03 0.09 0.00 0.00 178.44 179.18 1rje h ARG 141 N 0.26 0.00 0.03 1.13 3.08 -1.59 -3.11 114.38 114.18 1rje h ARG 141 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1rje h ARG 141 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1rje h ARG 141 CO 0.09 0.00 -1.04 1.49 -1.07 0.00 0.00 179.97 179.45 1rje h GLU 142 N 0.00 0.07 -6.90 0.04 4.57 -1.45 -3.39 114.58 107.51 1rje h GLU 142 Ca 0.00 -0.11 -0.52 0.00 -1.18 0.00 0.00 59.36 57.55 1rje h GLU 142 Cb 0.84 0.04 0.06 0.00 -0.16 0.00 0.00 28.75 29.53 1rje h GLU 142 CO 0.00 1.05 0.58 0.45 -1.18 0.00 0.00 179.01 179.92 1rje s SER 143 N -6.76 6.69 0.10 1.04 0.15 -1.12 -4.96 113.70 108.84 1rje s SER 143 Ca -0.24 2.55 -0.10 0.00 0.70 0.00 0.00 55.95 58.86 1rje s SER 143 Cb 0.04 -2.64 -0.18 0.00 -1.71 0.00 0.00 66.02 61.53 1rje s SER 143 CO 0.66 -0.58 1.23 -0.08 1.20 0.00 0.00 173.24 175.68 1rje h GLU 144 N 3.13 0.57 -0.01 5.44 4.81 -1.90 -2.67 114.58 123.96 1rje h GLU 144 Ca -0.49 -0.62 -0.20 0.00 -0.13 0.00 0.00 59.36 57.92 1rje h GLU 144 Cb 1.23 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1rje h GLU 144 CO 0.64 1.24 -0.86 0.97 -0.73 0.00 0.00 179.01 180.27 1rje h ILE 145 N 0.32 1.46 0.00 2.32 2.10 -1.94 -2.62 117.51 119.15 1rje h ILE 145 Ca -0.11 -2.51 -0.10 0.00 1.08 0.00 0.00 64.86 63.22 1rje h ILE 145 Cb 1.66 2.40 -0.01 0.00 -1.09 0.00 0.00 36.82 39.78 1rje h ILE 145 CO 0.19 0.74 -0.50 -0.07 -1.08 0.00 0.00 178.15 177.43 1rje h LEU 146 N 0.15 0.00 -0.52 2.19 3.38 -1.83 -2.86 115.31 115.83 1rje h LEU 146 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1rje h LEU 146 Cb 1.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1rje h LEU 146 CO 0.14 0.50 -0.14 0.03 0.09 0.00 0.00 178.44 179.05 1rje h ARG 147 N 0.00 1.01 -0.03 1.13 3.08 -1.38 -3.20 114.38 114.99 1rje h ARG 147 Ca -0.00 -0.39 -0.13 0.00 0.07 0.00 0.00 59.98 59.52 1rje h ARG 147 Cb 1.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1rje h ARG 147 CO 0.06 1.08 -0.59 0.82 -1.07 0.00 0.00 179.97 180.27 1rje h ILE 148 N 0.87 1.41 -0.44 2.04 2.04 -1.40 -1.57 117.51 120.45 1rje h ILE 148 Ca 0.13 -1.99 -0.14 0.00 1.00 0.00 0.00 64.86 63.85 1rje h ILE 148 Cb 0.71 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1rje h ILE 148 CO 0.05 0.58 -0.28 0.77 0.00 0.00 0.00 178.15 179.27 1rje h SER 149 N 0.07 1.01 -0.01 1.72 4.64 -1.50 -3.28 113.55 116.20 1rje h SER 149 Ca -0.01 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1rje h SER 149 Cb 1.06 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1rje h SER 149 CO 0.08 1.22 -0.45 0.18 -0.87 0.00 0.00 176.83 176.99 1rje n LEU 150 N -4.10 1.74 -2.39 5.97 4.77 -1.21 -4.98 117.00 116.80 1rje n LEU 150 Ca -0.01 -0.74 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 1rje n LEU 150 Cb 0.49 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1rje n LEU 150 CO 0.47 0.33 0.11 0.61 -1.33 0.00 0.00 177.39 177.59 1rje n GLY 151 N 1.30 0.02 3.95 -0.72 0.00 -0.67 -4.93 105.19 104.14 1rje n GLY 151 Ca 0.07 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1rje n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rje s LEU 152 N -4.70 4.26 0.80 0.99 1.43 -0.75 -4.99 118.68 115.71 1rje s LEU 152 Ca 0.21 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1rje s LEU 152 Cb -0.09 -3.00 0.13 0.00 0.03 0.00 0.00 46.19 43.26 1rje s LEU 152 CO 0.44 -0.06 1.11 -0.94 0.23 0.00 0.00 176.35 177.13 1rje s SER 153 N -3.63 4.09 0.30 2.29 1.04 -1.26 -4.80 113.70 111.73 1rje s SER 153 Ca 0.36 0.14 0.18 0.00 0.48 0.00 0.00 55.95 57.12 1rje s SER 153 Cb -0.10 -0.50 0.12 0.00 0.10 0.00 0.00 66.02 65.64 1rje s SER 153 CO 0.30 -2.07 1.38 0.50 0.98 0.00 0.00 173.24 174.33 1rje h LYS 154 N -0.94 0.00 -6.32 4.02 3.64 -1.98 -3.44 116.57 111.56 1rje h LYS 154 Ca -0.42 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.46 1rje h LYS 154 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1rje h LYS 154 CO 0.47 0.27 -0.30 -1.21 -2.27 0.00 0.00 179.45 176.40 1rje s GLU 155 N -3.08 3.50 -0.86 1.90 8.01 -1.26 -4.78 118.70 122.13 1rje s GLU 155 Ca 0.04 -0.41 -0.25 0.00 0.01 0.00 0.00 54.97 54.35 1rje s GLU 155 Cb 0.07 -2.79 0.03 0.00 -4.31 0.00 0.00 34.13 27.13 1rje s GLU 155 CO 0.73 0.32 1.43 -0.51 0.01 0.00 0.00 175.26 177.25 1rje s ASP 156 N -3.60 6.18 0.00 -0.19 1.01 -1.26 -4.80 116.67 114.01 1rje s ASP 156 Ca 0.38 -0.83 0.16 0.00 0.71 0.00 0.00 52.55 52.97 1rje s ASP 156 Cb -0.10 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 1rje s ASP 156 CO 0.31 -1.80 0.75 0.35 0.21 0.00 0.00 175.17 175.00 1rje n THR 157 N 6.75 0.00 -1.65 -1.27 -2.24 -1.26 -5.00 114.28 109.61 1rje n THR 157 Ca 0.19 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1rje n THR 157 Cb 0.50 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.87 1rje n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rje s ALA 158 N -2.21 2.56 -0.02 6.98 0.00 -1.26 -5.03 121.76 122.78 1rje s ALA 158 Ca 0.09 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1rje s ALA 158 Cb 0.12 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1rje s ALA 158 CO 0.53 -1.25 -0.25 0.15 0.00 0.00 0.00 175.76 174.93 1rje s LYS 159 N -4.61 2.07 5.35 0.00 1.02 -1.24 -4.91 119.74 117.41 1rje s LYS 159 Ca 0.62 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1rje s LYS 159 Cb -0.16 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1rje s LYS 159 CO 0.48 0.55 0.00 0.43 -0.92 0.00 0.00 175.35 175.89 1rje n SER 160 N 2.46 0.00 -0.02 2.83 7.64 -1.26 -3.14 113.62 122.12 1rje n SER 160 Ca -0.16 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.86 1rje n SER 160 Cb 0.51 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.34 1rje n SER 160 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1rje n PRO 161 N 0.00 0.28 -4.74 1.43 -0.04 -1.26 -4.82 135.00 125.85 1rje n PRO 161 Ca 0.00 -0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.08 1rje n PRO 161 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1rje n PRO 161 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rje s PHE 162 N -2.75 2.82 0.05 0.54 0.40 -1.19 -4.10 117.98 113.75 1rje s PHE 162 Ca 0.22 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1rje s PHE 162 Cb 0.19 -1.76 -0.28 0.00 0.51 0.00 0.00 43.02 41.68 1rje s PHE 162 CO 0.51 0.03 1.03 -0.07 0.70 0.00 0.00 175.22 177.43 1rje h LEU 163 N 6.01 0.39 -8.16 -0.37 3.38 -1.68 -3.30 115.31 111.58 1rje h LEU 163 Ca -0.37 -0.46 -0.58 0.00 0.09 0.00 0.00 57.88 56.56 1rje h LEU 163 Cb 1.18 -0.13 -0.33 0.00 0.09 0.00 0.00 40.66 41.48 1rje h LEU 163 CO 0.54 1.37 -0.84 -0.63 0.09 0.00 0.00 178.44 178.97 1rje s ILE 164 N -2.64 1.52 -0.41 1.22 1.01 -1.18 -4.28 121.20 116.44 1rje s ILE 164 Ca -0.06 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1rje s ILE 164 Cb 0.07 -1.34 0.22 0.00 0.01 0.00 0.00 42.46 41.42 1rje s ILE 164 CO 0.87 0.44 0.50 -0.67 0.00 0.00 0.00 174.94 176.08 1rje n ASP 165 N 3.59 -0.46 -3.89 3.58 2.03 -1.26 -2.13 116.55 118.01 1rje n ASP 165 Ca -0.21 -2.64 -0.29 0.00 0.52 0.00 0.00 54.79 52.17 1rje n ASP 165 Cb 0.52 -0.31 -0.13 0.00 -0.72 0.00 0.00 41.12 40.48 1rje n ASP 165 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1rje s GLN 166 N -0.52 1.97 3.78 -0.67 -1.52 -1.08 -4.98 119.66 116.65 1rje s GLN 166 Ca 0.34 -2.70 0.00 0.00 -1.95 0.00 0.00 55.36 51.05 1rje s GLN 166 Cb 0.12 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 1rje s GLN 166 CO -0.15 -1.17 0.00 0.41 -0.25 0.00 0.00 175.29 174.13 1rje n GLY 167 N 2.88 1.27 1.07 3.09 0.00 -1.26 -2.90 105.19 109.33 1rje n GLY 167 Ca 0.10 0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.44 1rje n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rje n ARG 168 N 0.00 3.02 -3.86 1.61 1.74 -1.26 -4.94 116.66 112.97 1rje n ARG 168 Ca 0.00 -2.92 -0.12 0.00 -0.77 0.00 0.00 57.85 54.04 1rje n ARG 168 Cb 0.00 -1.90 -0.14 0.00 -1.02 0.00 0.00 32.46 29.40 1rje n ARG 168 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1rje s TYR 169 N -2.88 -0.00 -0.02 -1.55 5.04 -1.14 -1.94 117.35 114.85 1rje s TYR 169 Ca 0.44 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1rje s TYR 169 Cb 0.36 -0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.67 1rje s TYR 169 CO 0.09 -0.01 0.03 0.15 -1.34 0.00 0.00 175.55 174.46 1rje s LYS 170 N 0.13 -0.01 -0.09 4.97 1.02 -0.69 -2.62 119.74 122.45 1rje s LYS 170 Ca -0.01 0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.17 1rje s LYS 170 Cb -0.02 -0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1rje s LYS 170 CO -0.00 -0.16 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.98 1rje s LEU 171 N 1.05 2.85 -0.10 3.17 2.96 -0.91 -0.92 118.68 126.79 1rje s LEU 171 Ca -0.09 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 1rje s LEU 171 Cb -0.13 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.98 1rje s LEU 171 CO -0.03 0.27 0.37 0.00 -1.32 0.00 0.00 176.35 175.64 1rje s ALA 172 N -0.25 -0.93 0.02 5.97 0.00 -0.97 -1.82 121.76 123.77 1rje s ALA 172 Ca 0.02 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 1rje s ALA 172 Cb -0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1rje s ALA 172 CO 0.03 -0.22 0.63 0.00 0.00 0.00 0.00 175.76 176.20 1rje s ALA 173 N -0.38 3.47 -0.29 0.00 0.00 -1.26 -3.12 121.76 120.18 1rje s ALA 173 Ca -0.05 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1rje s ALA 173 Cb -0.03 -2.79 0.15 0.00 0.00 0.00 0.00 23.12 20.45 1rje s ALA 173 CO 0.02 0.17 0.98 0.00 0.00 0.00 0.00 175.76 176.94 1rje s ASP 175 N 1.72 6.89 0.12 0.00 2.15 -1.26 -4.03 116.67 122.27 1rje s ASP 175 Ca -0.07 1.01 0.27 0.00 0.43 0.00 0.00 52.55 54.19 1rje s ASP 175 Cb -0.04 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 40.93 1rje s ASP 175 CO -0.16 -0.93 1.78 0.18 -0.17 0.00 0.00 175.17 175.87 1rje n LEU 176 N 7.00 0.52 0.25 -1.34 4.77 -1.26 -2.44 117.00 124.51 1rje n LEU 176 Ca 0.12 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 1rje n LEU 176 Cb 0.47 -0.37 0.58 0.00 -2.33 0.00 0.00 43.42 41.78 1rje n LEU 176 CO 0.61 -0.10 0.91 0.78 -1.33 0.00 0.00 177.39 178.26 1rje h ASN 177 N 0.00 0.00 -3.70 -1.43 4.21 -1.91 -3.41 115.58 109.35 1rje h ASN 177 Ca 0.00 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.85 1rje h ASN 177 Cb 0.65 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.68 1rje h ASN 177 CO 0.00 0.10 -0.32 -0.62 -1.29 0.00 0.00 177.43 175.30 1rje s ASP 178 N -5.93 6.16 0.30 5.81 -1.08 -1.02 -4.90 116.67 116.01 1rje s ASP 178 Ca 0.01 -0.16 0.18 0.00 -0.52 0.00 0.00 52.55 52.05 1rje s ASP 178 Cb 0.10 -2.19 0.12 0.00 -1.46 0.00 0.00 42.92 39.49 1rje s ASP 178 CO 0.59 -0.28 1.42 -0.29 0.52 0.00 0.00 175.17 177.13 1rje h ILE 179 N 5.50 0.57 -0.36 4.11 6.09 -1.82 -2.77 117.51 128.82 1rje h ILE 179 Ca -0.31 -1.83 -0.13 0.00 -1.37 0.00 0.00 64.86 61.23 1rje h ILE 179 Cb 1.15 2.24 -0.01 0.00 0.47 0.00 0.00 36.82 40.67 1rje h ILE 179 CO 0.67 0.32 -0.31 0.74 -3.07 0.00 0.00 178.15 176.50 1rje h THR 180 N 0.00 1.28 0.00 2.19 2.02 -1.93 -2.23 112.91 114.24 1rje h THR 180 Ca -0.02 -1.45 -0.14 0.00 0.77 0.00 0.00 66.41 65.57 1rje h THR 180 Cb 1.28 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1rje h THR 180 CO 0.04 0.48 -0.65 -0.08 0.37 0.00 0.00 175.52 175.68 1rje h GLU 181 N 0.65 0.00 -0.04 6.66 4.81 -1.85 -3.01 114.58 121.80 1rje h GLU 181 Ca 0.07 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 1rje h GLU 181 Cb 0.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1rje h GLU 181 CO 0.07 0.65 -0.70 1.15 -0.73 0.00 0.00 179.01 179.46 1rje h THR 182 N 0.00 1.36 0.00 0.32 2.02 -1.37 -3.05 112.91 112.19 1rje h THR 182 Ca -0.01 -2.04 -0.11 0.00 0.77 0.00 0.00 66.41 65.02 1rje h THR 182 Cb 1.16 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 1rje h THR 182 CO 0.08 0.61 -0.53 0.71 0.37 0.00 0.00 175.52 176.77 1rje h THR 183 N 0.14 1.04 -0.26 3.16 1.35 -1.50 -2.49 112.91 114.36 1rje h THR 183 Ca -0.07 -2.08 -0.16 0.00 -0.55 0.00 0.00 66.41 63.54 1rje h THR 183 Cb 1.37 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1rje h THR 183 CO 0.14 0.52 -0.50 0.03 -0.25 0.00 0.00 175.52 175.46 1rje h ARG 184 N 0.00 0.72 -0.26 4.72 3.08 -1.60 -2.55 114.38 118.50 1rje h ARG 184 Ca -0.01 -0.43 -0.16 0.00 0.07 0.00 0.00 59.98 59.45 1rje h ARG 184 Cb 1.20 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1rje h ARG 184 CO 0.07 1.05 -0.46 1.25 -1.07 0.00 0.00 179.97 180.81 1rje h LEU 185 N 0.57 0.85 -1.32 3.04 5.85 -1.51 -3.24 115.31 119.55 1rje h LEU 185 Ca 0.02 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1rje h LEU 185 Cb 1.07 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1rje h LEU 185 CO 0.10 1.22 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.28 1rje h LEU 186 N 0.52 0.00 -0.80 2.25 3.38 -1.45 -2.78 115.31 116.42 1rje h LEU 186 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1rje h LEU 186 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1rje h LEU 186 CO 0.10 0.08 -0.60 0.44 0.09 0.00 0.00 178.44 178.56 1rje h ASP 187 N 0.00 0.00 -0.02 -0.43 3.32 -1.48 -2.45 116.42 115.36 1rje h ASP 187 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rje h ASP 187 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1rje h ASP 187 CO 0.01 0.60 -0.16 1.33 -1.72 0.00 0.00 179.24 179.30 1rje n VAL 188 N -3.82 0.00 -0.30 -1.35 0.24 -1.07 -4.49 118.33 107.54 1rje n VAL 188 Ca -0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1rje n VAL 188 Cb 0.60 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.34 1rje n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rje s THR 190 N -0.18 0.16 0.14 0.00 -4.23 -0.92 -5.01 115.64 105.59 1rje s THR 190 Ca 0.00 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1rje s THR 190 Cb 0.00 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1rje s THR 190 CO 0.00 -0.50 -0.22 -0.54 -0.54 0.00 0.00 174.62 172.83 1rje s LYS 191 N -4.03 1.27 0.14 3.99 1.02 -1.26 -4.68 119.74 116.18 1rje s LYS 191 Ca 0.23 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.77 1rje s LYS 191 Cb 0.07 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1rje s LYS 191 CO 0.01 0.34 1.61 -0.09 -0.92 0.00 0.00 175.35 176.30 1rje h ARG 192 N 3.69 0.79 0.00 1.68 2.43 -1.96 -3.28 114.38 117.73 1rje h ARG 192 Ca -0.46 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.45 1rje h ARG 192 Cb 1.19 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1rje h ARG 192 CO 0.44 0.82 -0.16 1.05 -1.51 0.00 0.00 179.97 180.61 1rje h GLU 193 N 0.65 0.00 -6.40 0.20 4.11 -1.97 -2.97 114.58 108.20 1rje h GLU 193 Ca 0.14 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 59.02 1rje h GLU 193 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1rje h GLU 193 CO 0.02 0.16 0.49 0.42 0.07 0.00 0.00 179.01 180.17 1rje s ILE 194 N -3.24 4.54 0.37 -1.06 1.01 -1.24 -4.84 121.20 116.74 1rje s ILE 194 Ca 0.05 1.82 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 1rje s ILE 194 Cb 0.07 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.25 1rje s ILE 194 CO 0.67 0.11 0.94 -2.65 0.00 0.00 0.00 174.94 174.01 1rje n PRO 195 N 4.19 1.24 -4.18 2.79 -0.02 -1.26 -4.77 135.00 133.00 1rje n PRO 195 Ca 0.08 0.44 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 1rje n PRO 195 Cb 0.49 -1.89 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 1rje n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rje s THR 196 N -1.23 1.07 -0.25 3.45 2.01 -0.72 -1.76 115.64 118.21 1rje s THR 196 Ca 0.62 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 1rje s THR 196 Cb -0.61 -1.20 0.08 0.00 0.01 0.00 0.00 72.50 70.77 1rje s THR 196 CO 0.58 -0.36 0.04 -0.63 -0.69 0.00 0.00 174.62 173.56 1rje s ILE 197 N -1.75 0.95 -0.35 1.82 1.01 -0.95 -1.37 121.20 120.57 1rje s ILE 197 Ca 0.01 -1.09 -0.20 0.00 0.00 0.00 0.00 60.65 59.38 1rje s ILE 197 Cb -0.07 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 1rje s ILE 197 CO 0.02 -0.37 0.60 -0.69 0.00 0.00 0.00 174.94 174.50 1rje s VAL 198 N 1.63 4.93 -0.27 2.92 1.01 -0.74 -2.27 120.40 127.61 1rje s VAL 198 Ca 0.02 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1rje s VAL 198 Cb -0.18 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1rje s VAL 198 CO -0.14 -0.26 0.09 -0.63 0.00 0.00 0.00 175.10 174.16 1rje s ILE 199 N 2.60 4.35 -0.70 2.22 1.01 -1.11 -1.50 121.20 128.08 1rje s ILE 199 Ca 0.23 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1rje s ILE 199 Cb -0.15 -3.10 0.26 0.00 0.01 0.00 0.00 42.46 39.48 1rje s ILE 199 CO 0.14 0.25 0.84 -1.54 0.00 0.00 0.00 174.94 174.64 1rje n SER 200 N 4.93 4.12 -4.58 3.58 3.41 -1.13 -0.54 113.62 123.41 1rje n SER 200 Ca -0.15 -3.45 -0.42 0.00 -0.26 0.00 0.00 58.87 54.59 1rje n SER 200 Cb 0.51 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1rje n SER 200 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1rje s GLU 201 N -2.54 3.36 -1.46 4.33 2.12 -1.26 -3.12 118.70 120.13 1rje s GLU 201 Ca 0.39 0.41 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1rje s GLU 201 Cb 0.14 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.43 1rje s GLU 201 CO 0.00 -1.86 0.00 0.00 -0.54 0.00 0.00 175.26 172.86 1rje n LEU 203 N -2.42 1.95 0.18 0.00 7.94 -1.25 -4.60 117.00 118.81 1rje n LEU 203 Ca -0.20 0.35 0.14 0.00 -1.11 0.00 0.00 56.01 55.18 1rje n LEU 203 Cb 0.65 -0.82 0.53 0.00 0.53 0.00 0.00 43.42 44.31 1rje n LEU 203 CO 0.23 0.49 0.90 -0.07 -1.11 0.00 0.00 177.39 177.83 1rje h LEU 204 N -1.00 0.00 -0.89 -1.96 3.38 -1.88 -2.87 115.31 110.08 1rje h LEU 204 Ca -0.63 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.24 1rje h LEU 204 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1rje h LEU 204 CO -0.38 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 177.88 1rje n TYR 206 N -4.11 0.00 -3.90 0.00 0.53 -1.08 -3.58 117.16 105.02 1rje n TYR 206 Ca -0.01 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.62 1rje n TYR 206 Cb 0.42 -0.17 -0.03 0.00 -1.03 0.00 0.00 39.34 38.53 1rje n TYR 206 CO 0.00 0.00 0.00 -1.64 -1.02 0.00 0.00 176.86 174.20 1rje s MET 207 N -2.47 3.45 0.94 -0.72 -1.94 -1.16 -4.81 119.30 112.59 1rje s MET 207 Ca 0.28 -0.57 -0.13 0.00 -1.71 0.00 0.00 55.69 53.56 1rje s MET 207 Cb 0.20 -2.94 0.16 0.00 2.01 0.00 0.00 34.83 34.26 1rje s MET 207 CO 0.48 0.49 1.14 -1.01 -0.01 0.00 0.00 175.02 176.11 1rje s HIS 208 N -1.79 2.27 0.33 -0.03 3.76 -1.26 -4.37 115.29 114.19 1rje s HIS 208 Ca 0.35 0.80 0.15 0.00 -0.15 0.00 0.00 55.06 56.21 1rje s HIS 208 Cb -0.11 -3.43 0.75 0.00 1.11 0.00 0.00 32.58 30.90 1rje s HIS 208 CO 0.29 -2.54 1.81 -0.97 -0.85 0.00 0.00 174.74 172.48 1rje h ASN 209 N -1.62 0.00 0.00 1.40 -0.73 -1.94 -2.51 115.58 110.18 1rje h ASN 209 Ca -0.50 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.42 1rje h ASN 209 Cb 1.32 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.93 1rje h ASN 209 CO 0.58 0.37 -0.96 0.78 -0.37 0.00 0.00 177.43 177.83 1rje h ASN 210 N 0.00 0.84 0.50 1.15 2.35 -1.99 -2.72 115.58 115.71 1rje h ASN 210 Ca -0.00 -0.75 -0.17 0.00 -0.55 0.00 0.00 56.30 54.83 1rje h ASN 210 Cb 0.71 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1rje h ASN 210 CO 0.05 1.48 -0.74 -0.33 -1.65 0.00 0.00 177.43 176.24 1rje h GLU 211 N 0.29 0.19 0.10 0.81 3.07 -1.89 -2.88 114.58 114.27 1rje h GLU 211 Ca -0.12 -0.17 -0.28 0.00 -0.50 0.00 0.00 59.36 58.29 1rje h GLU 211 Cb 1.63 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.57 1rje h GLU 211 CO 0.19 0.85 -1.31 0.66 -1.40 0.00 0.00 179.01 177.99 1rje h SER 212 N 0.12 0.34 0.52 1.42 4.64 -1.55 -2.96 113.55 116.08 1rje h SER 212 Ca -0.02 -0.40 -0.21 0.00 -0.47 0.00 0.00 61.79 60.69 1rje h SER 212 Cb 1.31 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1rje h SER 212 CO 0.11 1.32 -0.91 -0.61 -0.87 0.00 0.00 176.83 175.88 1rje h GLN 213 N 0.06 0.26 0.00 4.77 5.75 -1.55 -2.48 115.11 121.91 1rje h GLN 213 Ca -0.15 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 57.98 1rje h GLN 213 Cb 1.96 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 30.58 1rje h GLN 213 CO 0.18 1.00 -0.40 1.25 -2.65 0.00 0.00 178.83 178.21 1rje h LEU 214 N 0.14 0.00 -0.49 -2.39 5.85 -1.62 -2.09 115.31 114.70 1rje h LEU 214 Ca -0.06 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 1rje h LEU 214 Cb 1.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1rje h LEU 214 CO 0.14 0.40 -0.74 0.25 -0.34 0.00 0.00 178.44 178.15 1rje h LEU 215 N 0.00 0.17 0.15 2.25 5.85 -1.44 -2.65 115.31 119.65 1rje h LEU 215 Ca -0.00 -0.12 -0.31 0.00 0.84 0.00 0.00 57.88 58.29 1rje h LEU 215 Cb 1.04 -0.05 0.03 0.00 0.37 0.00 0.00 40.66 42.05 1rje h LEU 215 CO 0.05 0.85 -1.30 0.40 -0.34 0.00 0.00 178.44 178.10 1rje h ILE 216 N 0.09 1.28 0.00 4.05 2.04 -1.32 -3.10 117.51 120.56 1rje h ILE 216 Ca -0.02 -2.51 -0.18 0.00 1.00 0.00 0.00 64.86 63.15 1rje h ILE 216 Cb 1.30 2.78 -0.02 0.00 -0.74 0.00 0.00 36.82 40.14 1rje h ILE 216 CO 0.11 0.76 -0.85 0.78 0.00 0.00 0.00 178.15 178.95 1rje h ASN 217 N 0.24 0.06 0.10 1.72 4.21 -1.46 -2.84 115.58 117.61 1rje h ASN 217 Ca -0.21 -0.05 -0.22 0.00 1.21 0.00 0.00 56.30 57.03 1rje h ASN 217 Cb 1.98 -0.02 0.02 0.00 -1.12 0.00 0.00 38.32 39.18 1rje h ASN 217 CO 0.25 0.88 -0.94 0.74 -1.29 0.00 0.00 177.43 177.07 1rje h THR 218 N 0.03 1.40 -0.10 2.81 2.02 -1.60 -2.94 112.91 114.53 1rje h THR 218 Ca -0.02 -2.40 -0.20 0.00 0.77 0.00 0.00 66.41 64.56 1rje h THR 218 Cb 1.48 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1rje h THR 218 CO 0.11 0.70 -0.76 0.40 0.37 0.00 0.00 175.52 176.35 1rje h ILE 219 N -0.06 1.35 -0.29 3.11 2.04 -1.64 -1.67 117.51 120.35 1rje h ILE 219 Ca -0.15 -2.10 -0.13 0.00 1.00 0.00 0.00 64.86 63.49 1rje h ILE 219 Cb 1.68 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.83 1rje h ILE 219 CO 0.18 0.64 -0.34 0.24 0.00 0.00 0.00 178.15 178.87 1rje h MET 220 N 0.36 0.63 0.00 2.37 2.86 -1.64 -2.85 114.93 116.67 1rje h MET 220 Ca -0.04 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1rje h MET 220 Cb 1.35 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1rje h MET 220 CO 0.14 0.88 0.00 0.77 1.06 0.00 0.00 176.91 179.76 1rje h SER 221 N 0.53 0.00 -0.05 1.22 0.02 -1.48 -3.30 113.55 110.49 1rje h SER 221 Ca 0.06 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.81 1rje h SER 221 Cb 0.84 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1rje h SER 221 CO 0.07 0.00 -0.75 0.50 -1.14 0.00 0.00 176.83 175.51 1rje h LYS 222 N 0.00 0.60 -6.13 3.45 3.64 -1.06 -3.46 116.57 113.62 1rje h LYS 222 Ca 0.00 -0.58 -0.60 0.00 -1.27 0.00 0.00 60.65 58.20 1rje h LYS 222 Cb 0.77 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 1rje h LYS 222 CO 0.00 1.19 -0.56 -0.06 -2.27 0.00 0.00 179.45 177.75 1rje s PHE 223 N -3.46 3.26 0.05 1.91 0.08 -1.18 -4.69 117.98 113.96 1rje s PHE 223 Ca -0.12 0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.10 1rje s PHE 223 Cb 0.06 -1.61 -0.22 0.00 -0.57 0.00 0.00 43.02 40.68 1rje s PHE 223 CO 0.87 0.53 1.01 0.77 -0.10 0.00 0.00 175.22 178.30 1rje h SER 224 N 2.84 0.03 -3.35 1.36 0.02 -1.80 -3.46 113.55 109.19 1rje h SER 224 Ca -0.47 -0.04 -0.37 0.00 -0.84 0.00 0.00 61.79 60.08 1rje h SER 224 Cb 1.18 -0.01 -0.38 0.00 0.14 0.00 0.00 62.40 63.33 1rje h SER 224 CO 0.67 1.03 -0.74 -2.28 -1.14 0.00 0.00 176.83 174.37 1rje s HIS 225 N -2.66 0.17 0.23 3.45 5.65 -1.26 -3.91 115.29 116.96 1rje s HIS 225 Ca -0.02 0.16 -0.05 0.00 0.25 0.00 0.00 55.06 55.40 1rje s HIS 225 Cb 0.09 -0.48 0.02 0.00 -1.18 0.00 0.00 32.58 31.02 1rje s HIS 225 CO 0.82 -0.19 0.39 0.41 -0.65 0.00 0.00 174.74 175.52 1rje n GLY 226 N 5.01 1.97 3.14 1.59 0.00 -1.12 -1.76 105.19 114.01 1rje n GLY 226 Ca -0.09 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.60 1rje n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rje s LEU 227 N 0.00 -1.31 -0.51 0.99 2.96 -0.47 -3.21 118.68 117.12 1rje s LEU 227 Ca 0.14 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.71 1rje s LEU 227 Cb -0.02 2.06 0.08 0.00 0.50 0.00 0.00 46.19 48.82 1rje s LEU 227 CO 0.10 -0.26 0.54 0.86 -1.32 0.00 0.00 176.35 176.27 1rje s TRP 228 N 2.83 3.14 -0.69 5.38 -0.11 -0.78 -1.80 118.94 126.91 1rje s TRP 228 Ca 0.20 -0.85 -0.18 0.00 1.22 0.00 0.00 56.10 56.48 1rje s TRP 228 Cb -0.15 -3.52 0.13 0.00 -1.50 0.00 0.00 33.47 28.43 1rje s TRP 228 CO -0.20 -0.99 0.80 0.42 -4.62 0.00 0.00 176.95 172.35 1rje s ILE 229 N 2.14 4.93 -0.24 5.86 1.01 -0.56 -2.63 121.20 131.69 1rje s ILE 229 Ca 0.09 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 1rje s ILE 229 Cb -0.23 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 1rje s ILE 229 CO 0.08 -1.19 0.06 -0.55 0.00 0.00 0.00 174.94 173.34 1rje s SER 230 N 3.39 5.09 -0.11 3.58 0.15 -1.01 -2.84 113.70 121.94 1rje s SER 230 Ca 0.17 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 1rje s SER 230 Cb -0.18 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1rje s SER 230 CO 0.01 -0.02 0.04 -0.47 1.20 0.00 0.00 173.24 174.00 1rje s TYR 231 N 1.52 3.26 0.12 3.44 5.04 -1.18 -2.02 117.35 127.52 1rje s TYR 231 Ca 0.06 0.21 -0.26 0.00 -2.44 0.00 0.00 57.07 54.64 1rje s TYR 231 Cb -0.15 -1.88 0.07 0.00 0.35 0.00 0.00 41.96 40.35 1rje s TYR 231 CO 0.03 0.44 0.95 -0.51 -1.34 0.00 0.00 175.55 175.12 1rje s ASP 232 N -0.62 -0.21 0.29 4.32 1.01 -1.21 -2.00 116.67 118.25 1rje s ASP 232 Ca 0.11 -0.31 -0.05 0.00 0.71 0.00 0.00 52.55 53.01 1rje s ASP 232 Cb -0.12 0.46 -0.05 0.00 1.01 0.00 0.00 42.92 44.22 1rje s ASP 232 CO 0.02 -0.83 0.55 -2.16 0.21 0.00 0.00 175.17 172.97 1rje s PRO 233 N -3.23 3.62 0.10 8.23 0.04 -1.26 -1.95 135.00 140.56 1rje s PRO 233 Ca 0.11 -0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.21 1rje s PRO 233 Cb -0.01 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1rje s PRO 233 CO -0.00 0.21 -0.19 0.96 0.04 0.00 0.00 177.00 178.02 1rje s ILE 234 N -2.10 1.57 0.08 0.56 -4.36 -0.95 -4.90 121.20 111.09 1rje s ILE 234 Ca 0.44 -1.55 0.28 0.00 -0.26 0.00 0.00 60.65 59.55 1rje s ILE 234 Cb -0.11 -1.49 0.31 0.00 1.25 0.00 0.00 42.46 42.42 1rje s ILE 234 CO 0.30 -0.15 1.88 1.23 0.24 0.00 0.00 174.94 178.44 1rje h GLY 235 N 3.98 0.00 0.00 6.27 0.00 -1.65 -3.44 103.07 108.23 1rje h GLY 235 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1rje h GLY 235 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1rje n GLY 236 N 0.17 1.74 0.10 4.60 0.00 -0.53 -1.69 105.19 109.57 1rje n GLY 236 Ca 0.01 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1rje n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rje n SER 237 N -0.01 0.71 -4.72 1.61 3.41 -1.09 -4.81 113.62 108.72 1rje n SER 237 Ca 0.00 0.20 -0.36 0.00 -0.26 0.00 0.00 58.87 58.44 1rje n SER 237 Cb 0.00 0.26 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1rje n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rje n GLN 238 N -2.98 0.95 -2.65 4.33 1.13 -1.26 -4.97 117.38 111.93 1rje n GLN 238 Ca -0.26 0.38 -0.38 0.00 -1.94 0.00 0.00 57.00 54.80 1rje n GLN 238 Cb 1.09 -2.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.89 1rje n GLN 238 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1rje s PRO 239 N -3.47 4.58 -1.21 -1.09 0.04 -1.26 -3.01 135.00 129.58 1rje s PRO 239 Ca 0.81 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1rje s PRO 239 Cb -0.37 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1rje s PRO 239 CO 0.42 0.23 0.00 -1.71 0.04 0.00 0.00 177.00 175.99 1rje n ASN 240 N 0.80 -4.63 -4.38 6.66 5.15 -1.26 -4.98 115.26 112.61 1rje n ASN 240 Ca 0.01 0.28 -0.45 0.00 -0.60 0.00 0.00 54.58 53.82 1rje n ASN 240 Cb 0.48 -3.13 -0.06 0.00 -0.53 0.00 0.00 39.78 36.55 1rje n ASN 240 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rje s ASP 241 N -2.74 6.19 -0.35 1.20 2.15 -1.16 -4.93 116.67 117.02 1rje s ASP 241 Ca 0.00 -1.36 0.08 0.00 0.43 0.00 0.00 52.55 51.69 1rje s ASP 241 Cb 0.00 -2.26 0.70 0.00 -0.30 0.00 0.00 42.92 41.06 1rje s ASP 241 CO 0.00 -0.94 1.81 0.54 -0.17 0.00 0.00 175.17 176.41 1rje n ARG 242 N 5.90 3.20 -0.17 4.34 1.74 -1.26 -4.49 116.66 125.92 1rje n ARG 242 Ca -0.10 -2.93 -0.05 0.00 -0.77 0.00 0.00 57.85 54.00 1rje n ARG 242 Cb 0.43 -2.17 0.14 0.00 -1.02 0.00 0.00 32.46 29.83 1rje n ARG 242 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1rje h PHE 243 N 2.08 0.96 0.17 -1.55 3.57 -1.92 -2.01 116.94 118.24 1rje h PHE 243 Ca 0.37 -0.11 -0.31 0.00 3.53 0.00 0.00 57.97 61.46 1rje h PHE 243 Cb 2.46 -0.28 0.03 0.00 2.79 0.00 0.00 35.95 40.95 1rje h PHE 243 CO 1.34 0.81 -1.33 0.78 -2.23 0.00 0.00 178.31 177.69 1rje h GLY 244 N 1.01 0.62 1.96 2.40 0.00 -1.55 -2.67 103.07 104.83 1rje h GLY 244 Ca 0.19 -1.41 -0.13 0.00 0.00 0.00 0.00 47.33 45.98 1rje h GLY 244 CO 0.00 1.24 -0.62 0.00 0.00 0.00 0.00 176.54 177.16 1rje h ALA 245 N 0.30 0.96 0.01 3.60 0.00 -1.83 -2.68 119.26 119.62 1rje h ALA 245 Ca -0.20 -0.56 -0.22 0.00 0.00 0.00 0.00 54.91 53.93 1rje h ALA 245 Cb 2.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1rje h ALA 245 CO 0.25 0.76 -0.94 0.82 0.00 0.00 0.00 179.25 180.14 1rje h ILE 246 N 0.03 1.45 -0.14 0.00 2.04 -1.44 -2.98 117.51 116.47 1rje h ILE 246 Ca -0.01 -2.58 -0.17 0.00 1.00 0.00 0.00 64.86 63.10 1rje h ILE 246 Cb 1.10 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 1rje h ILE 246 CO 0.08 0.76 -0.62 -0.03 0.00 0.00 0.00 178.15 178.34 1rje h MET 247 N 0.16 0.49 -0.00 2.37 4.05 -1.41 -1.07 114.93 119.52 1rje h MET 247 Ca -0.07 -0.34 -0.15 0.00 -0.28 0.00 0.00 59.70 58.86 1rje h MET 247 Cb 1.58 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.42 1rje h MET 247 CO 0.15 0.96 -0.71 1.96 0.23 0.00 0.00 176.91 179.51 1rje h GLN 248 N 0.36 0.02 0.00 0.39 4.20 -1.56 -2.46 115.11 116.05 1rje h GLN 248 Ca -0.01 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 1rje h GLN 248 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1rje h GLN 248 CO 0.11 0.72 -0.88 1.03 -0.67 0.00 0.00 178.83 179.14 1rje h SER 249 N 0.01 0.00 0.82 1.46 0.87 -1.44 -3.00 113.55 112.28 1rje h SER 249 Ca -0.01 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.33 1rje h SER 249 Cb 1.25 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 1rje h SER 249 CO 0.09 0.74 -1.27 0.78 -0.53 0.00 0.00 176.83 176.64 1rje h ASN 250 N 0.00 0.00 0.32 6.23 2.35 -1.20 -3.02 115.58 120.25 1rje h ASN 250 Ca -0.04 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.43 1rje h ASN 250 Cb 1.60 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.99 1rje h ASN 250 CO 0.09 0.89 -1.19 -0.07 -1.65 0.00 0.00 177.43 175.50 1rje h LEU 251 N 0.00 0.68 -0.42 1.61 3.38 -1.56 -2.94 115.31 116.05 1rje h LEU 251 Ca -0.14 -0.64 -0.16 0.00 0.09 0.00 0.00 57.88 57.04 1rje h LEU 251 Cb 1.80 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1rje h LEU 251 CO 0.09 1.46 -0.36 0.50 0.09 0.00 0.00 178.44 180.22 1rje h LYS 252 N 0.20 0.93 0.09 1.13 1.63 -1.45 -1.39 116.57 117.72 1rje h LYS 252 Ca -0.15 -0.48 -0.18 0.00 -0.85 0.00 0.00 60.65 58.99 1rje h LYS 252 Cb 1.87 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 33.53 1rje h LYS 252 CO 0.22 1.13 -0.75 1.49 -3.45 0.00 0.00 179.45 178.09 1rje h GLU 253 N 0.77 0.35 0.03 1.90 4.22 -1.65 -2.92 114.58 117.29 1rje h GLU 253 Ca 0.07 -0.50 -0.05 0.00 0.08 0.00 0.00 59.36 58.96 1rje h GLU 253 Cb 0.95 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.38 1rje h GLU 253 CO 0.09 1.19 -0.23 0.66 -2.18 0.00 0.00 179.01 178.54 1rje h SER 254 N -0.24 0.14 -0.00 1.04 4.64 -1.62 -3.41 113.55 114.10 1rje h SER 254 Ca -0.12 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.25 1rje h SER 254 Cb 1.53 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1rje h SER 254 CO 0.14 1.08 -0.03 0.54 -0.87 0.00 0.00 176.83 177.69 1rje n ARG 255 N -4.48 3.87 -3.45 4.77 1.74 -0.94 -5.03 116.66 113.14 1rje n ARG 255 Ca -0.11 -0.21 -0.18 0.00 -0.77 0.00 0.00 57.85 56.58 1rje n ARG 255 Cb 0.56 -0.72 0.07 0.00 -1.02 0.00 0.00 32.46 31.35 1rje n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1rje n ASN 256 N -0.62 -3.07 -4.31 0.55 4.05 -0.59 -4.99 115.26 106.28 1rje n ASN 256 Ca 0.00 -0.70 -0.27 0.00 0.45 0.00 0.00 54.58 54.07 1rje n ASN 256 Cb 0.02 -4.86 -0.13 0.00 1.23 0.00 0.00 39.78 36.04 1rje n ASN 256 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1rje s LEU 257 N -6.20 2.25 -0.01 1.20 2.96 -0.80 -4.95 118.68 113.13 1rje s LEU 257 Ca 0.13 -0.65 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1rje s LEU 257 Cb -0.02 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 1rje s LEU 257 CO 0.75 0.14 -0.19 -1.61 -1.32 0.00 0.00 176.35 174.13 1rje s GLU 258 N -1.66 1.55 -0.65 1.98 2.02 -1.26 -3.07 118.70 117.61 1rje s GLU 258 Ca 0.09 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.41 1rje s GLU 258 Cb -0.10 -1.51 0.16 0.00 0.10 0.00 0.00 34.13 32.78 1rje s GLU 258 CO 0.04 0.41 0.43 -1.64 0.02 0.00 0.00 175.26 174.52 1rje s MET 259 N -0.51 2.36 0.20 1.61 -1.94 -1.26 -4.55 119.30 115.21 1rje s MET 259 Ca 0.07 -3.04 -0.10 0.00 -1.71 0.00 0.00 55.69 50.92 1rje s MET 259 Cb -0.08 -3.45 0.13 0.00 2.01 0.00 0.00 34.83 33.44 1rje s MET 259 CO -0.01 -1.21 1.77 -1.35 -0.01 0.00 0.00 175.02 174.21 1rje h PRO 260 N 5.94 1.05 -0.98 2.03 0.11 -1.78 -3.07 132.00 135.30 1rje h PRO 260 Ca 0.05 -0.17 -0.64 0.00 0.11 0.00 0.00 66.00 65.36 1rje h PRO 260 Cb 0.82 -0.18 -0.30 0.00 0.11 0.00 0.00 31.00 31.45 1rje h PRO 260 CO 0.72 0.84 0.74 0.25 -0.21 0.00 0.00 178.00 180.34 1rje n THR 261 N -4.39 3.49 -0.07 -1.15 -2.24 -1.26 -4.50 114.28 104.16 1rje n THR 261 Ca 0.06 -2.80 -0.17 0.00 -2.27 0.00 0.00 64.05 58.87 1rje n THR 261 Cb 0.15 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.24 1rje n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rje h LEU 262 N 1.80 0.05 -0.44 3.22 5.85 -1.85 -3.15 115.31 120.80 1rje h LEU 262 Ca 0.60 -0.87 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 1rje h LEU 262 Cb 1.24 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1rje h LEU 262 CO 1.45 1.17 -0.54 0.24 -0.34 0.00 0.00 178.44 180.42 1rje h MET 263 N -0.93 0.00 -0.04 1.25 2.86 -1.83 -2.91 114.93 113.33 1rje h MET 263 Ca -0.11 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1rje h MET 263 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1rje h MET 263 CO -0.04 0.54 0.00 1.15 1.06 0.00 0.00 176.91 179.63 1rje h THR 264 N 0.00 1.24 -3.02 2.22 2.02 -1.83 -3.29 112.91 110.25 1rje h THR 264 Ca -0.01 -0.72 -0.78 0.00 0.77 0.00 0.00 66.41 65.68 1rje h THR 264 Cb 1.23 1.64 -0.30 0.00 -1.74 0.00 0.00 68.15 68.97 1rje h THR 264 CO 0.07 0.19 0.49 -1.22 0.37 0.00 0.00 175.52 175.42 1rje n TYR 265 N -4.90 3.26 1.13 3.16 4.02 -1.19 -4.84 117.16 117.81 1rje n TYR 265 Ca -0.07 -3.19 0.13 0.00 -0.01 0.00 0.00 57.90 54.76 1rje n TYR 265 Cb 0.17 -1.27 0.36 0.00 -0.02 0.00 0.00 39.34 38.58 1rje n TYR 265 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rje n ASN 266 N 1.66 0.64 -4.48 7.72 6.94 -1.21 -4.16 115.26 122.38 1rje n ASN 266 Ca 0.26 -0.45 -0.24 0.00 -0.02 0.00 0.00 54.58 54.12 1rje n ASN 266 Cb 0.36 0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 37.80 1rje n ASN 266 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1rje s SER 267 N -2.77 2.85 0.45 0.53 1.04 -1.26 -1.46 113.70 113.09 1rje s SER 267 Ca 0.18 -1.41 0.25 0.00 0.48 0.00 0.00 55.95 55.45 1rje s SER 267 Cb 0.18 -0.09 0.72 0.00 0.10 0.00 0.00 66.02 66.93 1rje s SER 267 CO 0.60 -0.60 1.74 0.07 0.98 0.00 0.00 173.24 176.03 1rje h LYS 268 N 1.97 0.00 0.01 4.02 2.10 -1.94 -2.69 116.57 120.04 1rje h LYS 268 Ca -0.41 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.03 1rje h LYS 268 Cb 1.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1rje h LYS 268 CO 0.72 0.11 -0.81 0.93 -2.00 0.00 0.00 179.45 178.40 1rje h GLU 269 N 0.00 0.53 -0.29 0.07 3.07 -1.96 -2.85 114.58 113.15 1rje h GLU 269 Ca -0.00 -0.58 -0.11 0.00 -0.50 0.00 0.00 59.36 58.17 1rje h GLU 269 Cb 0.86 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1rje h GLU 269 CO 0.01 1.21 -0.28 0.87 -1.40 0.00 0.00 179.01 179.42 1rje h LYS 270 N 0.10 0.59 -0.56 2.33 1.57 -1.94 -2.59 116.57 116.08 1rje h LYS 270 Ca -0.10 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1rje h LYS 270 Cb 1.50 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 1rje h LYS 270 CO 0.16 0.81 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.88 1rje h TYR 271 N 0.51 1.10 0.00 -1.35 3.20 -1.57 -2.99 116.97 115.88 1rje h TYR 271 Ca 0.07 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1rje h TYR 271 Cb 0.75 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1rje h TYR 271 CO 0.03 1.00 0.00 0.00 -1.64 0.00 0.00 178.16 177.56 1rje h ALA 272 N 1.02 1.00 0.00 1.82 0.00 -1.35 -3.10 119.26 118.64 1rje h ALA 272 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rje h ALA 272 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rje h ALA 272 CO 0.04 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1rje n SER 273 N -2.39 0.48 0.15 0.00 3.41 -0.99 -2.88 113.62 111.41 1rje n SER 273 Ca 0.04 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1rje n SER 273 Cb 0.35 -0.70 0.25 0.00 -0.26 0.00 0.00 64.21 63.86 1rje n SER 273 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1rje h ARG 274 N 0.00 0.02 -0.99 4.33 3.08 -1.67 -2.97 114.38 116.18 1rje h ARG 274 Ca 0.00 -0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1rje h ARG 274 Cb 0.49 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.24 1rje h ARG 274 CO 0.00 0.52 0.67 0.91 -1.07 0.00 0.00 179.97 181.00 1rje n TRP 275 N -3.94 3.18 0.29 3.04 8.01 -1.14 -4.68 117.44 122.20 1rje n TRP 275 Ca -0.01 -2.93 0.16 0.00 -1.31 0.00 0.00 57.50 53.41 1rje n TRP 275 Cb 0.52 -1.31 0.55 0.00 -2.01 0.00 0.00 31.31 29.06 1rje n TRP 275 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1rje h SER 276 N 2.05 0.00 -0.35 -0.99 4.64 -1.64 -2.95 113.55 114.30 1rje h SER 276 Ca 0.58 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.84 1rje h SER 276 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1rje h SER 276 CO 1.49 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 177.50 1rje h ALA 277 N 2.04 1.26 -2.75 5.18 0.00 -1.87 -3.42 119.26 119.70 1rje h ALA 277 Ca 0.00 -0.21 -0.50 0.00 0.00 0.00 0.00 54.91 54.19 1rje h ALA 277 Cb 0.61 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.25 1rje h ALA 277 CO 0.00 0.50 0.49 0.00 0.00 0.00 0.00 179.25 180.24 1rje s ALA 278 N -5.05 3.30 0.07 0.00 0.00 -1.12 -4.99 121.76 113.97 1rje s ALA 278 Ca -0.09 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 1rje s ALA 278 Cb 0.15 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.78 1rje s ALA 278 CO 0.79 -0.30 1.29 -1.00 0.00 0.00 0.00 175.76 176.53 1rje h PRO 279 N 3.27 0.61 -4.32 0.00 0.13 -1.83 -3.42 132.00 126.44 1rje h PRO 279 Ca -0.48 -0.45 -0.73 0.00 -0.87 0.00 0.00 66.00 63.47 1rje h PRO 279 Cb 1.22 0.08 -0.27 0.00 0.13 0.00 0.00 31.00 32.16 1rje h PRO 279 CO 0.65 1.07 -0.38 1.21 -0.23 0.00 0.00 178.00 180.32 1rje s ASN 280 N -6.72 5.83 -0.21 1.44 2.47 -1.20 -5.04 114.94 111.52 1rje s ASN 280 Ca -0.12 -1.64 0.01 0.00 0.42 0.00 0.00 52.86 51.53 1rje s ASN 280 Cb 0.07 -2.06 0.05 0.00 -1.45 0.00 0.00 41.25 37.85 1rje s ASN 280 CO 0.84 -0.65 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.80 1rje s VAL 281 N 1.47 1.53 0.11 -5.21 1.01 -1.26 -1.49 120.40 116.55 1rje s VAL 281 Ca 0.04 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1rje s VAL 281 Cb -0.25 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1rje s VAL 281 CO 0.02 0.07 0.10 -0.63 0.00 0.00 0.00 175.10 174.66 1rje s ILE 282 N 1.43 4.51 -0.25 2.22 1.01 -1.09 -5.00 121.20 124.03 1rje s ILE 282 Ca -0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1rje s ILE 282 Cb -0.17 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.17 1rje s ILE 282 CO -0.07 0.04 0.59 0.54 0.00 0.00 0.00 174.94 176.03 1rje s VAL 283 N -1.51 -0.24 -0.01 2.92 0.11 -1.26 -1.93 120.40 118.47 1rje s VAL 283 Ca 0.30 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1rje s VAL 283 Cb -0.11 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1rje s VAL 283 CO 0.22 0.02 0.01 0.20 -3.33 0.00 0.00 175.10 172.22 1rje s ASN 284 N 1.89 0.06 0.91 3.54 0.01 -1.20 -5.01 114.94 115.15 1rje s ASN 284 Ca -0.08 0.01 -0.12 0.00 -0.71 0.00 0.00 52.86 51.96 1rje s ASN 284 Cb -0.08 -0.03 0.14 0.00 0.41 0.00 0.00 41.25 41.69 1rje s ASN 284 CO -0.17 -0.04 1.09 1.51 -1.51 0.00 0.00 177.10 177.98 1rje s ASP 285 N 0.38 3.34 0.35 -1.22 -4.77 -1.26 -2.03 116.67 111.45 1rje s ASP 285 Ca -0.03 1.48 0.27 0.00 -3.30 0.00 0.00 52.55 50.97 1rje s ASP 285 Cb -0.05 -2.16 0.93 0.00 -1.09 0.00 0.00 42.92 40.55 1rje s ASP 285 CO -0.01 -2.72 1.78 0.24 0.70 0.00 0.00 175.17 175.16 1rje h MET 286 N -1.61 0.00 -0.02 2.11 2.86 -0.94 -2.24 114.93 115.09 1rje h MET 286 Ca -0.50 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 56.94 1rje h MET 286 Cb 1.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 1rje h MET 286 CO 0.54 0.00 -0.86 2.35 1.06 0.00 0.00 176.91 180.00 1rje h TRP 287 N 0.00 0.50 -0.06 -0.22 2.91 -1.85 -2.49 115.95 114.74 1rje h TRP 287 Ca 0.00 -0.26 -0.11 0.00 1.13 0.00 0.00 58.89 59.65 1rje h TRP 287 Cb 0.60 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 1rje h TRP 287 CO 0.00 1.05 -0.46 0.93 -1.03 0.00 0.00 178.44 178.94 1rje h GLU 288 N 0.21 0.14 0.00 2.65 5.08 -1.76 -2.84 114.58 118.06 1rje h GLU 288 Ca -0.06 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1rje h GLU 288 Cb 1.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1rje h GLU 288 CO 0.14 0.57 -0.56 0.82 -1.00 0.00 0.00 179.01 178.99 1rje h ILE 289 N 0.12 1.12 -0.08 3.13 2.04 -1.47 -2.42 117.51 119.94 1rje h ILE 289 Ca 0.01 -2.12 -0.15 0.00 1.00 0.00 0.00 64.86 63.59 1rje h ILE 289 Cb 0.86 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1rje h ILE 289 CO 0.07 0.54 -0.62 0.15 0.00 0.00 0.00 178.15 178.29 1rje h PHE 290 N 0.00 0.39 0.00 1.37 3.57 -1.23 -2.41 116.94 118.63 1rje h PHE 290 Ca -0.01 -0.15 -0.15 0.00 3.53 0.00 0.00 57.97 61.20 1rje h PHE 290 Cb 1.20 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1rje h PHE 290 CO 0.00 0.84 -1.68 0.09 -2.23 0.00 0.00 178.31 175.33 1rje n ASN 291 N -3.87 0.50 -0.07 0.41 3.02 -1.09 -4.19 115.26 109.96 1rje n ASN 291 Ca -0.03 0.21 -0.10 0.00 -0.03 0.00 0.00 54.58 54.63 1rje n ASN 291 Cb 0.63 0.78 -0.07 0.00 -0.61 0.00 0.00 39.78 40.51 1rje n ASN 291 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rje n ALA 292 N -2.40 1.68 -0.05 5.41 0.00 -0.91 -4.79 120.51 119.44 1rje n ALA 292 Ca -0.12 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.51 1rje n ALA 292 Cb 0.80 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 20.25 1rje n ALA 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rje n GLN 293 N -2.90 0.69 -2.65 0.00 6.02 -0.94 -4.87 117.38 112.73 1rje n GLN 293 Ca -0.26 0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 1rje n GLN 293 Cb 0.79 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 1rje n GLN 293 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rje s ILE 294 N -2.55 4.70 1.02 5.09 -1.09 -1.03 -5.03 121.20 122.32 1rje s ILE 294 Ca -0.19 1.98 -0.13 0.00 -2.23 0.00 0.00 60.65 60.08 1rje s ILE 294 Cb 0.07 -4.27 0.20 0.00 -1.58 0.00 0.00 42.46 36.88 1rje s ILE 294 CO 0.75 -0.00 1.09 -2.16 -1.23 0.00 0.00 174.94 173.40 1rje s PRO 295 N 2.07 0.24 0.35 2.79 0.04 -1.26 -4.81 135.00 134.42 1rje s PRO 295 Ca 0.49 0.45 0.15 0.00 0.04 0.00 0.00 61.00 62.14 1rje s PRO 295 Cb -0.19 -1.72 0.62 0.00 0.04 0.00 0.00 34.50 33.25 1rje s PRO 295 CO 0.18 -2.84 1.73 1.49 0.04 0.00 0.00 177.00 177.60 1rje h GLU 296 N -1.97 0.00 -0.23 4.56 4.57 -1.98 -2.79 114.58 116.75 1rje h GLU 296 Ca -0.55 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.54 1rje h GLU 296 Cb 1.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1rje h GLU 296 CO 0.57 0.44 -0.28 0.66 -1.18 0.00 0.00 179.01 179.23 1rje h SER 297 N 0.00 0.44 -0.06 1.04 4.64 -2.00 -2.85 113.55 114.75 1rje h SER 297 Ca -0.00 -0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 60.95 1rje h SER 297 Cb 0.89 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1rje h SER 297 CO 0.06 0.71 -0.76 -0.33 -0.87 0.00 0.00 176.83 175.64 1rje h GLU 298 N 0.39 0.71 -0.11 4.77 4.39 -1.87 -2.97 114.58 119.89 1rje h GLU 298 Ca 0.05 -0.58 -0.09 0.00 0.34 0.00 0.00 59.36 59.08 1rje h GLU 298 Cb 0.69 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1rje h GLU 298 CO 0.05 1.19 -0.34 0.00 -1.16 0.00 0.00 179.01 178.75 1rje h ARG 299 N 0.49 0.23 -0.06 2.33 3.08 -1.49 -2.67 114.38 116.29 1rje h ARG 299 Ca -0.05 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 1rje h ARG 299 Cb 1.38 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 1rje h ARG 299 CO 0.15 0.55 -0.59 -0.22 -1.07 0.00 0.00 179.97 178.79 1rje h LYS 300 N 0.20 0.21 -0.25 0.04 3.64 -1.54 -2.87 116.57 116.00 1rje h LYS 300 Ca 0.02 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1rje h LYS 300 Cb 0.71 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1rje h LYS 300 CO 0.05 0.74 -0.57 -0.09 -2.27 0.00 0.00 179.45 177.32 1rje h ARG 301 N 0.16 0.78 0.00 1.90 2.43 -1.32 -2.90 114.38 115.43 1rje h ARG 301 Ca -0.00 -0.51 -0.08 0.00 -0.81 0.00 0.00 59.98 58.57 1rje h ARG 301 Cb 1.09 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1rje h ARG 301 CO 0.09 1.14 -0.40 -0.07 -1.51 0.00 0.00 179.97 179.22 1rje h LEU 302 N 0.60 0.00 -1.02 3.80 3.38 -1.52 -2.83 115.31 117.71 1rje h LEU 302 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1rje h LEU 302 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1rje h LEU 302 CO 0.12 0.40 -0.47 0.03 0.09 0.00 0.00 178.44 178.61 1rje h ARG 303 N 0.00 0.00 0.00 1.13 3.08 -1.43 -3.02 114.38 114.14 1rje h ARG 303 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1rje h ARG 303 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1rje h ARG 303 CO 0.05 0.47 -0.15 0.66 -1.07 0.00 0.00 179.97 179.93 1rje h SER 304 N 0.00 0.00 0.09 7.04 4.64 -1.29 -3.36 113.55 120.67 1rje h SER 304 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rje h SER 304 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1rje h SER 304 CO 0.06 0.15 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.06 1rje h LEU 305 N 0.00 -0.10 -8.42 5.97 3.38 -1.50 -3.49 115.31 111.15 1rje h LEU 305 Ca -0.00 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 1rje h LEU 305 Cb 0.88 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 1rje h LEU 305 CO 0.02 0.44 -0.68 -1.10 0.09 0.00 0.00 178.44 177.21 1rje s GLN 306 N -2.05 0.83 -0.67 1.13 -0.21 -1.21 -5.10 119.66 112.38 1rje s GLN 306 Ca -0.04 -1.35 -0.25 0.00 0.02 0.00 0.00 55.36 53.74 1rje s GLN 306 Cb -0.00 -0.03 0.05 0.00 1.00 0.00 0.00 33.01 34.03 1rje s GLN 306 CO 0.13 -0.10 1.08 -0.06 -2.12 0.00 0.00 175.29 174.21 1rje s PHE 307 N -3.78 2.56 -0.99 0.91 0.40 -1.26 -4.62 117.98 111.19 1rje s PHE 307 Ca 0.15 -0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.01 1rje s PHE 307 Cb 0.07 -4.38 0.08 0.00 0.51 0.00 0.00 43.02 39.29 1rje s PHE 307 CO -0.04 -1.74 1.34 -1.17 0.70 0.00 0.00 175.22 174.31 1rje s LEU 308 N 4.64 4.06 0.09 -0.37 2.96 -1.26 -4.85 118.68 123.96 1rje s LEU 308 Ca 0.29 -1.68 -0.14 0.00 -0.22 0.00 0.00 54.13 52.37 1rje s LEU 308 Cb -0.13 -2.51 -0.15 0.00 0.50 0.00 0.00 46.19 43.90 1rje s LEU 308 CO 0.14 -1.34 1.30 0.44 -1.32 0.00 0.00 176.35 175.57 1rje h ASP 309 N 9.42 0.84 -4.03 3.68 3.32 -2.00 -3.39 116.42 124.25 1rje h ASP 309 Ca 0.19 -0.61 -0.73 0.00 0.02 0.00 0.00 57.03 55.90 1rje h ASP 309 Cb 1.01 -0.25 -0.32 0.00 0.22 0.00 0.00 39.33 40.00 1rje h ASP 309 CO 1.31 1.30 -0.20 -1.61 -1.72 0.00 0.00 179.24 178.33 1rje s GLU 310 N -3.83 2.94 0.30 3.56 0.41 -1.26 -4.89 118.70 115.93 1rje s GLU 310 Ca -0.11 -2.52 0.15 0.00 -0.41 0.00 0.00 54.97 52.08 1rje s GLU 310 Cb 0.08 -3.98 0.38 0.00 -1.78 0.00 0.00 34.13 28.83 1rje s GLU 310 CO 0.87 -1.22 1.59 1.25 -0.49 0.00 0.00 175.26 177.27 1rje h LEU 311 N 7.28 0.00 -0.50 1.80 5.85 -2.00 -2.88 115.31 124.86 1rje h LEU 311 Ca 0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1rje h LEU 311 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1rje h LEU 311 CO 0.73 0.53 -0.72 -0.08 -0.34 0.00 0.00 178.44 178.55 1rje h GLU 312 N 0.00 0.21 0.00 1.25 4.57 -1.98 -2.45 114.58 116.18 1rje h GLU 312 Ca -0.01 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1rje h GLU 312 Cb 1.14 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1rje h GLU 312 CO 0.07 0.84 -0.29 0.93 -1.18 0.00 0.00 179.01 179.38 1rje h GLU 313 N 0.14 0.00 -0.00 1.92 5.08 -1.95 -2.04 114.58 117.72 1rje h GLU 313 Ca -0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1rje h GLU 313 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1rje h GLU 313 CO 0.11 0.29 -0.79 1.25 -1.00 0.00 0.00 179.01 178.87 1rje h LEU 314 N 0.00 0.02 -0.20 1.33 5.85 -1.33 -3.02 115.31 117.97 1rje h LEU 314 Ca -0.00 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.48 1rje h LEU 314 Cb 0.79 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1rje h LEU 314 CO 0.04 0.80 -0.79 0.50 -0.34 0.00 0.00 178.44 178.65 1rje h LYS 315 N 0.01 0.71 -0.28 1.25 3.64 -1.10 -2.17 116.57 118.63 1rje h LYS 315 Ca -0.01 -0.59 -0.12 0.00 -1.27 0.00 0.00 60.65 58.66 1rje h LYS 315 Cb 1.40 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 1rje h LYS 315 CO 0.10 1.20 -0.32 0.28 -2.27 0.00 0.00 179.45 178.45 1rje h VAL 316 N 0.48 1.28 -0.04 2.00 2.07 -1.45 -2.22 116.25 118.37 1rje h VAL 316 Ca -0.05 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 65.95 1rje h VAL 316 Cb 1.41 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1rje h VAL 316 CO 0.16 0.46 -0.26 -0.03 0.02 0.00 0.00 177.57 177.92 1rje h MET 317 N 0.51 0.24 0.00 1.57 1.85 -1.58 -3.36 114.93 114.16 1rje h MET 317 Ca 0.06 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1rje h MET 317 Cb 0.81 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.88 1rje h MET 317 CO 0.07 0.88 -0.06 1.04 -0.40 0.00 0.00 176.91 178.43 1rje n GLN 318 N -4.50 0.15 0.21 0.39 1.13 -0.82 -2.45 117.38 111.50 1rje n GLN 318 Ca -0.09 0.11 0.10 0.00 -1.94 0.00 0.00 57.00 55.18 1rje n GLN 318 Cb 0.48 -1.66 0.31 0.00 0.11 0.00 0.00 30.24 29.48 1rje n GLN 318 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1rje h THR 319 N 0.00 0.41 -0.61 5.09 1.35 -1.54 -2.43 112.91 115.18 1rje h THR 319 Ca 0.00 -1.27 -0.27 0.00 -0.55 0.00 0.00 66.41 64.32 1rje h THR 319 Cb 0.63 1.95 -0.16 0.00 -1.73 0.00 0.00 68.15 68.85 1rje h THR 319 CO 0.00 0.20 0.34 1.41 -0.25 0.00 0.00 175.52 177.22 1rje n HIS 320 N -3.23 1.94 -4.07 4.73 8.25 -1.02 -4.83 115.22 116.99 1rje n HIS 320 Ca 0.02 -1.19 -0.11 0.00 -0.26 0.00 0.00 57.72 56.18 1rje n HIS 320 Cb 0.51 -0.64 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 1rje n HIS 320 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rje s TYR 321 N -2.25 0.60 0.15 4.41 1.51 -1.15 -2.24 117.35 118.38 1rje s TYR 321 Ca 0.39 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1rje s TYR 321 Cb 0.32 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 1rje s TYR 321 CO 0.08 -0.17 0.14 0.96 -1.11 0.00 0.00 175.55 175.46 1rje s ILE 322 N -2.27 0.08 -0.24 2.71 -5.25 -0.82 -2.19 121.20 113.22 1rje s ILE 322 Ca -0.04 -1.74 -0.03 0.00 -0.99 0.00 0.00 60.65 57.84 1rje s ILE 322 Cb -0.04 -2.03 0.08 0.00 2.95 0.00 0.00 42.46 43.42 1rje s ILE 322 CO -0.03 -0.36 0.09 -0.22 -1.79 0.00 0.00 174.94 172.63 1rje s LEU 323 N -3.03 1.01 0.08 0.37 2.96 -0.86 -3.34 118.68 115.87 1rje s LEU 323 Ca 0.23 -1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.00 1rje s LEU 323 Cb 0.06 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 1rje s LEU 323 CO 0.02 -0.38 0.34 -0.32 -1.32 0.00 0.00 176.35 174.70 1rje s MET 324 N 1.95 3.64 -0.31 1.98 -2.45 -0.86 -3.24 119.30 120.00 1rje s MET 324 Ca 0.05 -0.03 -0.02 0.00 -1.25 0.00 0.00 55.69 54.43 1rje s MET 324 Cb -0.17 -2.97 0.11 0.00 1.25 0.00 0.00 34.83 33.06 1rje s MET 324 CO -0.20 0.56 0.16 0.15 1.05 0.00 0.00 175.02 176.73 1rje s LYS 325 N -2.17 0.37 -0.43 4.11 1.02 -0.81 -2.42 119.74 119.41 1rje s LYS 325 Ca 0.34 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.34 1rje s LYS 325 Cb -0.13 -1.29 0.05 0.00 -0.52 0.00 0.00 37.83 35.94 1rje s LYS 325 CO 0.20 -1.08 0.31 0.00 -0.92 0.00 0.00 175.35 173.86 1rje s ALA 326 N 1.69 3.44 -0.13 5.17 0.00 -1.08 -2.66 121.76 128.19 1rje s ALA 326 Ca 0.12 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.12 1rje s ALA 326 Cb -0.19 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1rje s ALA 326 CO -0.23 -1.57 0.06 -0.65 0.00 0.00 0.00 175.76 173.38 1rje s GLN 327 N 1.61 3.50 0.06 0.00 -0.21 -0.56 -1.86 119.66 122.20 1rje s GLN 327 Ca 0.04 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.11 1rje s GLN 327 Cb -0.21 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1rje s GLN 327 CO 0.07 0.55 -0.05 1.67 -2.12 0.00 0.00 175.29 175.41 1rje s TRP 328 N -0.42 0.64 0.00 0.91 -2.14 -1.20 -3.21 118.94 113.53 1rje s TRP 328 Ca 0.09 -0.84 0.00 0.00 2.66 0.00 0.00 56.10 58.02 1rje s TRP 328 Cb -0.12 -0.41 0.00 0.00 -3.10 0.00 0.00 33.47 29.84 1rje s TRP 328 CO 0.02 -0.22 0.00 1.58 -2.66 0.00 0.00 176.95 175.67