#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjd h ARG 3 N 0.00 1.07 -0.57 5.31 2.43 -2.03 -2.50 114.38 118.09 1rjd h ARG 3 Ca 0.00 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1rjd h ARG 3 Cb 0.00 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1rjd h ARG 3 CO 0.00 0.84 0.03 0.82 -1.51 0.00 0.00 179.97 180.15 1rjd h ILE 4 N 1.05 1.26 -0.21 1.20 2.04 -1.96 -0.71 117.51 120.18 1rjd h ILE 4 Ca 0.25 -1.06 -0.19 0.00 1.00 0.00 0.00 64.86 64.86 1rjd h ILE 4 Cb 0.15 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1rjd h ILE 4 CO -0.03 0.39 -0.63 0.40 0.00 0.00 0.00 178.15 178.28 1rjd h ILE 5 N 0.90 1.29 -0.53 -0.67 2.04 -1.89 -2.55 117.51 116.10 1rjd h ILE 5 Ca 0.17 -1.85 0.01 0.00 1.00 0.00 0.00 64.86 64.19 1rjd h ILE 5 Cb 0.48 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1rjd h ILE 5 CO 0.02 0.59 0.35 1.56 0.00 0.00 0.00 178.15 180.67 1rjd h GLN 6 N 0.55 0.68 0.00 2.37 4.20 -1.26 -2.98 115.11 118.68 1rjd h GLN 6 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1rjd h GLN 6 Cb 1.23 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1rjd h GLN 6 CO 0.13 0.45 0.00 1.04 -0.67 0.00 0.00 178.83 179.78 1rjd n GLN 7 N -4.46 0.04 0.30 1.46 6.02 -0.29 -2.67 117.38 117.78 1rjd n GLN 7 Ca 0.05 0.11 0.18 0.00 -0.01 0.00 0.00 57.00 57.33 1rjd n GLN 7 Cb 0.06 -1.50 0.91 0.00 1.02 0.00 0.00 30.24 30.73 1rjd n GLN 7 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1rjd h THR 8 N 0.00 0.16 -0.02 5.09 1.35 -1.49 -1.88 112.91 116.12 1rjd h THR 8 Ca 0.00 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.50 1rjd h THR 8 Cb 0.36 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1rjd h THR 8 CO 0.00 0.03 -0.17 -0.78 -0.25 0.00 0.00 175.52 174.35 1rjd h ASP 9 N 0.00 0.03 -0.87 5.36 3.58 -1.71 -2.66 116.42 120.15 1rjd h ASP 9 Ca -0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1rjd h ASP 9 Cb 0.27 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1rjd h ASP 9 CO 0.00 0.20 0.47 1.88 -2.88 0.00 0.00 179.24 178.91 1rjd h TYR 10 N 0.03 1.20 -0.45 0.28 0.99 -1.57 0.55 116.97 118.01 1rjd h TYR 10 Ca 0.00 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 1rjd h TYR 10 Cb 0.31 -0.38 -0.02 0.00 1.00 0.00 0.00 36.73 37.64 1rjd h TYR 10 CO 0.00 0.84 0.14 -0.44 -0.00 0.00 0.00 178.16 178.71 1rjd h ASP 11 N 1.22 0.66 -0.24 3.88 3.32 -1.63 -0.09 116.42 123.54 1rjd h ASP 11 Ca 0.30 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1rjd h ASP 11 Cb 0.05 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1rjd h ASP 11 CO -0.05 0.68 0.11 0.00 -1.72 0.00 0.00 179.24 178.26 1rjd h ALA 12 N 1.00 0.28 -0.54 3.45 0.00 -1.08 -1.28 119.26 121.08 1rjd h ALA 12 Ca 0.15 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1rjd h ALA 12 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rjd h ALA 12 CO -0.01 -0.30 -0.01 1.25 0.00 0.00 0.00 179.25 180.19 1rjd h LEU 13 N 0.23 0.95 -0.79 0.00 5.85 -0.84 -0.37 115.31 120.35 1rjd h LEU 13 Ca 0.10 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1rjd h LEU 13 Cb 0.04 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 1rjd h LEU 13 CO -0.08 1.03 0.47 0.28 -0.34 0.00 0.00 178.44 179.81 1rjd h SER 14 N 0.84 0.73 -0.24 1.25 0.02 -0.85 0.31 113.55 115.61 1rjd h SER 14 Ca 0.15 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1rjd h SER 14 Cb 0.55 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1rjd h SER 14 CO 0.03 0.47 -0.27 0.00 -1.14 0.00 0.00 176.83 175.92 1rjd h LYS 16 N 0.32 0.13 -0.45 0.00 1.63 -0.71 -1.53 116.57 115.97 1rjd h LYS 16 Ca 0.03 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 1rjd h LYS 16 Cb 0.84 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 1rjd h LYS 16 CO 0.07 0.09 -0.09 -0.07 -3.45 0.00 0.00 179.45 175.99 1rjd h LEU 17 N 0.14 0.78 -0.62 5.20 3.38 -0.83 -2.28 115.31 121.08 1rjd h LEU 17 Ca 0.13 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1rjd h LEU 17 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1rjd h LEU 17 CO -0.19 0.90 -0.15 0.00 0.09 0.00 0.00 178.44 179.09 1rjd h ALA 18 N 1.17 0.81 -0.41 1.53 0.00 -0.83 0.37 119.26 121.90 1rjd h ALA 18 Ca 0.12 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1rjd h ALA 18 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rjd h ALA 18 CO 0.04 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.95 1rjd h ALA 19 N 0.99 1.25 -0.11 0.00 0.00 -1.12 -1.95 119.26 118.31 1rjd h ALA 19 Ca 0.12 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1rjd h ALA 19 Cb 0.70 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1rjd h ALA 19 CO 0.05 0.50 -0.52 0.82 0.00 0.00 0.00 179.25 180.10 1rjd h ILE 20 N 0.62 1.35 -0.57 0.00 2.04 -1.17 -1.61 117.51 118.18 1rjd h ILE 20 Ca 0.13 -1.83 0.11 0.00 1.00 0.00 0.00 64.86 64.28 1rjd h ILE 20 Cb 0.38 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 1rjd h ILE 20 CO 0.01 0.55 0.05 -1.28 0.00 0.00 0.00 178.15 177.49 1rjd h SER 21 N 0.17 -0.14 0.75 1.72 0.87 -0.75 -0.45 113.55 115.71 1rjd h SER 21 Ca -0.03 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1rjd h SER 21 Cb 1.16 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1rjd h SER 21 CO 0.11 -0.05 -0.01 0.52 -0.53 0.00 0.00 176.83 176.87 1rjd n VAL 22 N -5.20 0.00 -0.64 2.23 0.31 -0.75 -4.93 118.33 109.35 1rjd n VAL 22 Ca 0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1rjd n VAL 22 Cb 0.32 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1rjd n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rjd n GLY 23 N 1.38 0.80 0.34 2.92 0.00 -0.18 -4.77 105.19 105.67 1rjd n GLY 23 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1rjd n GLY 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rjd h TYR 24 N 0.00 1.03 -3.52 1.61 0.99 -1.54 -3.40 116.97 112.15 1rjd h TYR 24 Ca 0.00 0.03 -0.66 0.00 2.00 0.00 0.00 58.73 60.10 1rjd h TYR 24 Cb 0.00 -0.33 -0.15 0.00 1.00 0.00 0.00 36.73 37.25 1rjd h TYR 24 CO 0.00 0.48 -0.71 -0.51 -0.00 0.00 0.00 178.16 177.42 1rjd s LEU 25 N -10.22 3.18 0.65 3.88 1.43 -1.04 -3.97 118.68 112.58 1rjd s LEU 25 Ca -0.12 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1rjd s LEU 25 Cb 0.20 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 1rjd s LEU 25 CO 0.80 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.51 1rjd s PRO 26 N -2.06 2.90 -0.46 1.29 0.04 -1.26 -4.14 135.00 131.30 1rjd s PRO 26 Ca 0.22 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1rjd s PRO 26 Cb -0.11 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1rjd s PRO 26 CO 0.14 -1.16 0.33 0.45 0.04 0.00 0.00 177.00 176.80 1rjd s SER 27 N -2.78 5.77 0.43 6.66 0.15 -1.26 -4.98 113.70 117.71 1rjd s SER 27 Ca 0.65 -1.67 0.15 0.00 0.70 0.00 0.00 55.95 55.77 1rjd s SER 27 Cb -0.19 -2.04 0.96 0.00 -1.71 0.00 0.00 66.02 63.04 1rjd s SER 27 CO 0.42 -0.64 1.96 0.77 1.20 0.00 0.00 173.24 176.95 1rjd h SER 28 N 8.51 0.00 0.24 5.45 4.64 -1.94 0.47 113.55 130.91 1rjd h SER 28 Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1rjd h SER 28 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1rjd h SER 28 CO 0.84 0.22 -0.11 1.23 -0.87 0.00 0.00 176.83 178.14 1rjd h GLY 29 N 0.69 -0.33 1.63 -0.77 0.00 -1.94 -1.67 103.07 100.68 1rjd h GLY 29 Ca -0.00 0.12 -0.27 0.00 0.00 0.00 0.00 47.33 47.18 1rjd h GLY 29 CO 0.03 -0.12 -1.25 1.41 0.00 0.00 0.00 176.54 176.61 1rjd h LEU 30 N -0.79 0.33 -0.49 3.11 3.38 -1.95 -3.07 115.31 115.83 1rjd h LEU 30 Ca -0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1rjd h LEU 30 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1rjd h LEU 30 CO 0.05 1.29 -0.06 0.00 0.09 0.00 0.00 178.44 179.82 1rjd n GLN 31 N -3.47 1.15 -3.69 1.13 6.02 0.14 -4.47 117.38 114.19 1rjd n GLN 31 Ca -0.08 -0.49 -0.25 0.00 -0.01 0.00 0.00 57.00 56.17 1rjd n GLN 31 Cb 1.01 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.84 1rjd n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rjd n ARG 32 N -0.50 -7.01 -3.49 -1.09 1.74 -0.78 -4.97 116.66 100.56 1rjd n ARG 32 Ca 0.18 0.75 -0.35 0.00 -0.77 0.00 0.00 57.85 57.67 1rjd n ARG 32 Cb 0.28 -5.74 -0.06 0.00 -1.02 0.00 0.00 32.46 25.93 1rjd n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjd s LEU 33 N -7.20 4.34 0.99 0.55 1.43 -0.70 -5.03 118.68 113.06 1rjd s LEU 33 Ca 0.54 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 54.39 1rjd s LEU 33 Cb -0.25 -3.11 0.19 0.00 0.03 0.00 0.00 46.19 43.05 1rjd s LEU 33 CO 0.76 0.14 1.19 -0.94 0.23 0.00 0.00 176.35 177.73 1rjd s SER 34 N -1.76 2.83 0.15 2.29 1.04 -1.26 -4.76 113.70 112.22 1rjd s SER 34 Ca 0.35 0.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.28 1rjd s SER 34 Cb -0.14 -1.02 0.03 0.00 0.10 0.00 0.00 66.02 64.99 1rjd s SER 34 CO 0.19 -2.94 1.70 0.58 0.98 0.00 0.00 173.24 173.74 1rjd h VAL 35 N -1.77 0.74 -0.22 5.02 2.07 -1.99 -0.89 116.25 119.20 1rjd h VAL 35 Ca -0.47 -0.01 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 1rjd h VAL 35 Cb 1.30 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1rjd h VAL 35 CO 0.49 0.01 -0.58 0.44 0.02 0.00 0.00 177.57 177.95 1rjd h ASP 36 N 0.04 0.78 1.09 0.57 5.19 -2.00 -2.87 116.42 119.23 1rjd h ASP 36 Ca 0.14 -0.43 -0.10 0.00 -0.62 0.00 0.00 57.03 56.02 1rjd h ASP 36 Cb 0.21 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1rjd h ASP 36 CO -0.27 1.19 -0.47 -0.07 -3.12 0.00 0.00 179.24 176.49 1rjd h LEU 37 N 0.52 0.00 -0.69 1.55 3.38 -1.90 -1.12 115.31 117.05 1rjd h LEU 37 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1rjd h LEU 37 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1rjd h LEU 37 CO 0.12 0.47 0.20 0.28 0.09 0.00 0.00 178.44 179.60 1rjd h SER 38 N 0.00 1.02 -0.12 -0.43 0.02 -1.04 0.26 113.55 113.26 1rjd h SER 38 Ca -0.00 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1rjd h SER 38 Cb 1.14 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1rjd h SER 38 CO 0.06 0.97 -0.04 0.50 -1.14 0.00 0.00 176.83 177.18 1rjd h LYS 39 N 1.02 0.25 -0.95 3.45 3.64 -1.27 -3.16 116.57 119.55 1rjd h LYS 39 Ca 0.22 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1rjd h LYS 39 Cb 0.32 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1rjd h LYS 39 CO -0.00 0.56 0.62 0.87 -2.27 0.00 0.00 179.45 179.22 1rjd h LYS 40 N -0.08 1.26 -0.53 1.90 1.79 -1.12 -1.94 116.57 117.84 1rjd h LYS 40 Ca 0.03 -0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.52 1rjd h LYS 40 Cb 0.47 -0.28 -0.10 0.00 -1.58 0.00 0.00 32.23 30.75 1rjd h LYS 40 CO 0.01 0.84 -0.07 -0.92 -1.08 0.00 0.00 179.45 178.24 1rjd h TYR 41 N 1.29 -0.17 -0.20 -1.35 3.20 -0.91 0.27 116.97 119.12 1rjd h TYR 41 Ca 0.35 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.22 1rjd h TYR 41 Cb -0.13 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1rjd h TYR 41 CO -0.00 -0.18 -0.03 1.15 -1.64 0.00 0.00 178.16 177.45 1rjd h THR 42 N 0.05 1.27 -0.77 1.81 2.02 -1.46 -2.84 112.91 113.00 1rjd h THR 42 Ca 0.26 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 1rjd h THR 42 Cb 0.41 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1rjd h THR 42 CO -0.50 0.29 0.34 -0.33 0.37 0.00 0.00 175.52 175.69 1rjd h GLU 43 N 0.10 1.13 -0.47 6.66 5.08 -0.59 -0.77 114.58 125.71 1rjd h GLU 43 Ca 0.05 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1rjd h GLU 43 Cb 0.45 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1rjd h GLU 43 CO 0.02 0.89 0.12 -1.49 -1.00 0.00 0.00 179.01 177.55 1rjd h TRP 44 N 1.11 0.78 -0.50 4.33 6.55 -0.50 -0.33 115.95 127.39 1rjd h TRP 44 Ca 0.26 -0.09 -0.11 0.00 0.95 0.00 0.00 58.89 59.90 1rjd h TRP 44 Cb 0.16 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.22 1rjd h TRP 44 CO 0.02 0.71 -0.11 0.45 -1.05 0.00 0.00 178.44 178.45 1rjd h HIS 45 N 0.63 1.09 -0.67 0.49 3.86 -1.23 -0.64 115.15 118.68 1rjd h HIS 45 Ca 0.15 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1rjd h HIS 45 Cb 0.31 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1rjd h HIS 45 CO 0.02 1.03 0.36 0.00 0.86 0.00 0.00 177.93 180.20 1rjd h ARG 46 N 0.83 0.94 -0.77 2.45 3.08 -0.99 -2.17 114.38 117.75 1rjd h ARG 46 Ca 0.13 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1rjd h ARG 46 Cb 0.67 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1rjd h ARG 46 CO 0.05 0.72 0.30 1.03 -1.07 0.00 0.00 179.97 181.00 1rjd h SER 47 N 0.92 1.06 -0.69 7.04 0.87 -0.90 -2.23 113.55 119.62 1rjd h SER 47 Ca 0.24 -0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1rjd h SER 47 Cb 0.05 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 1rjd h SER 47 CO -0.04 0.94 0.44 0.22 -0.53 0.00 0.00 176.83 177.87 1rjd h TYR 48 N 1.12 0.83 -0.25 2.24 3.20 -0.72 0.14 116.97 123.52 1rjd h TYR 48 Ca 0.26 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 1rjd h TYR 48 Cb 0.22 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1rjd h TYR 48 CO 0.02 0.48 -0.10 1.25 -1.64 0.00 0.00 178.16 178.17 1rjd h LEU 49 N 0.87 0.53 -1.03 2.82 5.85 -1.18 0.83 115.31 123.99 1rjd h LEU 49 Ca 0.27 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1rjd h LEU 49 Cb -0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1rjd h LEU 49 CO -0.10 0.81 -0.15 0.40 -0.34 0.00 0.00 178.44 179.06 1rjd h ILE 50 N 0.25 1.24 0.02 4.05 2.04 -1.15 -2.09 117.51 121.87 1rjd h ILE 50 Ca 0.06 -1.08 -0.24 0.00 1.00 0.00 0.00 64.86 64.59 1rjd h ILE 50 Cb 0.60 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1rjd h ILE 50 CO 0.03 0.35 -1.00 0.74 0.00 0.00 0.00 178.15 178.28 1rjd h THR 51 N 0.48 1.39 -0.66 -0.27 2.02 -0.52 -2.88 112.91 112.46 1rjd h THR 51 Ca 0.08 -2.48 0.11 0.00 0.77 0.00 0.00 66.41 64.89 1rjd h THR 51 Cb 0.54 2.48 -0.08 0.00 -1.74 0.00 0.00 68.15 69.35 1rjd h THR 51 CO 0.03 0.74 0.25 0.25 0.37 0.00 0.00 175.52 177.16 1rjd h LEU 52 N 0.24 0.23 -0.90 2.58 5.85 -0.54 -1.75 115.31 121.02 1rjd h LEU 52 Ca -0.10 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1rjd h LEU 52 Cb 1.65 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.68 1rjd h LEU 52 CO 0.18 0.12 0.55 0.50 -0.34 0.00 0.00 178.44 179.45 1rjd h LYS 53 N 0.42 0.90 -0.75 1.25 3.64 -1.18 0.14 116.57 120.99 1rjd h LYS 53 Ca 0.34 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1rjd h LYS 53 Cb 0.46 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1rjd h LYS 53 CO -0.34 0.59 0.42 -0.22 -2.27 0.00 0.00 179.45 177.63 1rjd h LYS 54 N 0.92 1.03 0.00 1.90 3.64 -1.17 -3.16 116.57 119.73 1rjd h LYS 54 Ca 0.43 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1rjd h LYS 54 Cb 0.35 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1rjd h LYS 54 CO -0.23 0.74 -0.83 0.74 -2.27 0.00 0.00 179.45 177.60 1rjd h PHE 55 N 1.04 0.00 -0.99 1.91 0.04 -0.77 -3.45 116.94 114.71 1rjd h PHE 55 Ca 0.27 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.12 1rjd h PHE 55 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 1rjd h PHE 55 CO 0.01 0.05 -0.29 0.45 -0.60 0.00 0.00 178.31 177.93 1rjd s SER 56 N -5.58 -1.43 0.31 2.17 0.15 -0.11 -5.00 113.70 104.21 1rjd s SER 56 Ca 0.01 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.39 1rjd s SER 56 Cb 0.09 2.14 0.48 0.00 -1.71 0.00 0.00 66.02 67.01 1rjd s SER 56 CO 0.77 -0.27 1.97 -0.09 1.20 0.00 0.00 173.24 176.82 1rjd h ARG 57 N 8.00 1.05 0.04 5.44 2.43 -1.83 -1.56 114.38 127.94 1rjd h ARG 57 Ca -0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1rjd h ARG 57 Cb 1.17 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1rjd h ARG 57 CO 0.24 0.69 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.28 1rjd h ARG 58 N 1.08 -0.05 -0.47 0.20 2.43 -1.94 -1.41 114.38 114.22 1rjd h ARG 58 Ca 0.30 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1rjd h ARG 58 Cb -0.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1rjd h ARG 58 CO -0.07 0.32 0.04 0.00 -1.51 0.00 0.00 179.97 178.75 1rjd h ALA 59 N 0.52 0.63 -0.89 2.80 0.00 -1.93 -2.23 119.26 118.16 1rjd h ALA 59 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1rjd h ALA 59 Cb 0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1rjd h ALA 59 CO 0.01 0.39 0.59 0.35 0.00 0.00 0.00 179.25 180.59 1rjd h PHE 60 N 0.67 1.11 -0.53 0.00 3.57 -1.26 -1.15 116.94 119.34 1rjd h PHE 60 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1rjd h PHE 60 Cb 0.44 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1rjd h PHE 60 CO 0.03 0.69 0.22 0.78 -2.23 0.00 0.00 178.31 177.80 1rjd h GLY 61 N 1.19 0.85 0.96 2.40 0.00 -0.92 0.84 103.07 108.39 1rjd h GLY 61 Ca 0.33 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1rjd h GLY 61 CO -0.08 0.43 0.17 0.50 0.00 0.00 0.00 176.54 177.56 1rjd h LYS 62 N 0.72 0.71 -0.15 4.80 1.57 -1.08 -1.50 116.57 121.64 1rjd h LYS 62 Ca 0.18 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1rjd h LYS 62 Cb 0.18 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1rjd h LYS 62 CO -0.02 0.66 -0.06 0.28 -0.57 0.00 0.00 179.45 179.74 1rjd h VAL 63 N 0.62 1.30 -0.61 0.50 2.07 -1.10 -2.45 116.25 116.57 1rjd h VAL 63 Ca 0.15 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1rjd h VAL 63 Cb 0.22 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1rjd h VAL 63 CO -0.01 0.31 0.38 -0.78 0.02 0.00 0.00 177.57 177.49 1rjd h ASP 64 N -0.01 0.63 -0.33 0.57 3.58 -0.79 -0.29 116.42 119.77 1rjd h ASP 64 Ca 0.04 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.37 1rjd h ASP 64 Cb 0.51 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1rjd h ASP 64 CO 0.02 0.44 -0.23 0.11 -2.88 0.00 0.00 179.24 176.70 1rjd h LYS 65 N 0.75 0.74 -0.37 0.28 1.57 -1.30 -2.27 116.57 115.98 1rjd h LYS 65 Ca 0.24 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1rjd h LYS 65 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1rjd h LYS 65 CO -0.10 0.97 -0.09 0.00 -0.57 0.00 0.00 179.45 179.67 1rjd h ALA 66 N 0.76 1.16 -0.15 3.86 0.00 -1.20 -2.85 119.26 120.84 1rjd h ALA 66 Ca 0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1rjd h ALA 66 Cb 0.78 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rjd h ALA 66 CO 0.06 0.53 -0.18 1.98 0.00 0.00 0.00 179.25 181.64 1rjd h MET 67 N 0.58 0.38 0.00 0.00 1.85 -0.94 -3.12 114.93 113.68 1rjd h MET 67 Ca 0.11 -0.22 -0.03 0.00 -0.61 0.00 0.00 59.70 58.95 1rjd h MET 67 Cb 0.50 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.54 1rjd h MET 67 CO 0.03 0.79 -0.16 0.00 -0.40 0.00 0.00 176.91 177.17 1rjd h ARG 68 N 0.00 0.00 -0.65 0.39 3.08 -1.40 -3.09 114.38 112.72 1rjd h ARG 68 Ca 0.02 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.80 1rjd h ARG 68 Cb 0.74 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.62 1rjd h ARG 68 CO 0.04 0.16 0.25 -1.13 -1.07 0.00 0.00 179.97 178.23 1rjd n SER 69 N -3.77 3.71 -4.90 7.04 3.41 -1.08 -4.99 113.62 113.04 1rjd n SER 69 Ca -0.02 -3.48 -0.29 0.00 -0.26 0.00 0.00 58.87 54.82 1rjd n SER 69 Cb 0.27 -0.72 0.07 0.00 -0.26 0.00 0.00 64.21 63.56 1rjd n SER 69 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rjd s SER 70 N -1.66 5.01 0.18 4.04 0.15 -1.17 -5.02 113.70 115.23 1rjd s SER 70 Ca 0.51 0.89 0.01 0.00 0.70 0.00 0.00 55.95 58.06 1rjd s SER 70 Cb 0.43 -1.56 -0.05 0.00 -1.71 0.00 0.00 66.02 63.13 1rjd s SER 70 CO 0.08 -1.58 0.03 0.72 1.20 0.00 0.00 173.24 173.69 1rjd s PHE 71 N -3.41 1.22 0.25 3.44 -0.12 -1.26 -5.04 117.98 113.05 1rjd s PHE 71 Ca 0.60 -1.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 1rjd s PHE 71 Cb -0.11 -0.70 0.49 0.00 -0.63 0.00 0.00 43.02 42.08 1rjd s PHE 71 CO 0.49 -0.29 1.71 -1.35 -0.05 0.00 0.00 175.22 175.74 1rjd h PRO 72 N 2.66 0.38 -0.90 1.99 0.11 -1.95 -0.76 132.00 133.52 1rjd h PRO 72 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1rjd h PRO 72 Cb 1.21 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1rjd h PRO 72 CO 0.61 0.25 0.57 0.28 -0.21 0.00 0.00 178.00 179.50 1rjd h VAL 73 N 0.39 1.24 -0.40 3.15 2.07 -1.95 -1.01 116.25 119.74 1rjd h VAL 73 Ca 0.43 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1rjd h VAL 73 Cb 0.70 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1rjd h VAL 73 CO -0.45 0.25 -0.06 0.24 0.02 0.00 0.00 177.57 177.57 1rjd h MET 74 N 1.24 0.74 -0.61 1.57 2.86 -1.69 -1.76 114.93 117.27 1rjd h MET 74 Ca 0.33 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1rjd h MET 74 Cb -0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 1rjd h MET 74 CO -0.07 0.86 0.18 -0.91 1.06 0.00 0.00 176.91 178.04 1rjd h ASN 75 N 0.56 0.87 -0.60 1.22 2.35 -0.84 -1.41 115.58 117.73 1rjd h ASN 75 Ca 0.11 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1rjd h ASN 75 Cb 0.57 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1rjd h ASN 75 CO 0.03 0.82 0.15 1.88 -1.65 0.00 0.00 177.43 178.66 1rjd h TYR 76 N 0.90 1.01 -0.51 1.19 -1.99 -1.10 -1.54 116.97 114.93 1rjd h TYR 76 Ca 0.20 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.88 1rjd h TYR 76 Cb 0.28 -0.28 -0.06 0.00 2.00 0.00 0.00 36.73 38.66 1rjd h TYR 76 CO 0.02 0.85 0.18 0.78 -0.00 0.00 0.00 178.16 180.00 1rjd h GLY 77 N 0.87 0.69 1.22 3.88 0.00 -0.72 -0.76 103.07 108.24 1rjd h GLY 77 Ca 0.19 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 1rjd h GLY 77 CO 0.00 0.01 -0.31 -0.84 0.00 0.00 0.00 176.54 175.41 1rjd h THR 78 N 0.36 1.27 -0.02 4.70 2.02 -0.98 -1.69 112.91 118.58 1rjd h THR 78 Ca 0.25 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 65.97 1rjd h THR 78 Cb 0.26 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1rjd h THR 78 CO -0.25 0.49 -0.02 0.22 0.37 0.00 0.00 175.52 176.33 1rjd h TYR 79 N 0.74 -0.05 -0.34 3.16 3.20 -1.01 -1.46 116.97 121.21 1rjd h TYR 79 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1rjd h TYR 79 Cb 0.87 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1rjd h TYR 79 CO 0.05 -0.03 0.19 -0.07 -1.64 0.00 0.00 178.16 176.66 1rjd h LEU 80 N -0.03 0.42 -0.26 2.82 3.38 -0.94 0.90 115.31 121.60 1rjd h LEU 80 Ca 0.02 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1rjd h LEU 80 Cb 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1rjd h LEU 80 CO -0.04 0.39 0.04 -0.09 0.09 0.00 0.00 178.44 178.84 1rjd h ARG 81 N 0.43 0.14 -0.13 1.13 2.43 -1.25 -0.19 114.38 116.94 1rjd h ARG 81 Ca 0.12 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1rjd h ARG 81 Cb 0.05 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1rjd h ARG 81 CO -0.02 0.09 -0.21 1.15 -1.51 0.00 0.00 179.97 179.47 1rjd h THR 82 N 0.14 1.37 0.00 0.20 2.02 -0.86 -2.67 112.91 113.11 1rjd h THR 82 Ca 0.12 -1.46 -0.10 0.00 0.77 0.00 0.00 66.41 65.75 1rjd h THR 82 Cb 0.13 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1rjd h THR 82 CO -0.17 0.43 -0.46 -0.37 0.37 0.00 0.00 175.52 175.32 1rjd h VAL 83 N -0.04 1.07 -0.25 3.16 -1.51 -0.79 -1.72 116.25 116.18 1rjd h VAL 83 Ca 0.01 -1.74 -0.11 0.00 -1.23 0.00 0.00 66.70 63.63 1rjd h VAL 83 Cb 0.79 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1rjd h VAL 83 CO 0.05 0.45 -0.27 1.23 -1.23 0.00 0.00 177.57 177.80 1rjd h GLY 84 N 2.02 0.67 0.94 5.19 0.00 -1.05 -0.03 103.07 110.82 1rjd h GLY 84 Ca -0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 1rjd h GLY 84 CO 0.06 0.63 0.05 -2.22 0.00 0.00 0.00 176.54 175.07 1rjd h ILE 85 N 0.32 1.25 -0.77 2.60 2.04 -1.46 -3.01 117.51 118.48 1rjd h ILE 85 Ca 0.04 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 1rjd h ILE 85 Cb 0.84 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1rjd h ILE 85 CO 0.07 0.31 0.32 0.44 0.00 0.00 0.00 178.15 179.28 1rjd h ASP 86 N 0.52 1.05 -0.74 1.72 3.32 -1.17 -1.70 116.42 119.42 1rjd h ASP 86 Ca 0.12 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1rjd h ASP 86 Cb 0.39 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1rjd h ASP 86 CO 0.01 0.93 0.46 0.00 -1.72 0.00 0.00 179.24 178.92 1rjd h ALA 87 N 1.16 0.97 -0.48 3.45 0.00 -0.94 0.17 119.26 123.59 1rjd h ALA 87 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1rjd h ALA 87 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1rjd h ALA 87 CO -0.02 0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.55 1rjd h ALA 88 N 1.32 0.64 -0.27 0.00 0.00 -1.27 -2.08 119.26 117.60 1rjd h ALA 88 Ca 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rjd h ALA 88 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rjd h ALA 88 CO -0.12 0.36 0.14 0.82 0.00 0.00 0.00 179.25 180.45 1rjd h ILE 89 N 0.67 1.14 -0.32 0.00 2.04 -0.99 -3.02 117.51 117.02 1rjd h ILE 89 Ca 0.15 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1rjd h ILE 89 Cb 0.37 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1rjd h ILE 89 CO 0.01 0.14 -0.37 -0.07 0.00 0.00 0.00 178.15 177.86 1rjd h LEU 90 N 0.32 0.78 -0.85 1.44 3.38 -0.86 -0.45 115.31 119.07 1rjd h LEU 90 Ca 0.10 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1rjd h LEU 90 Cb 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1rjd h LEU 90 CO -0.01 1.06 0.45 -0.33 0.09 0.00 0.00 178.44 179.70 1rjd h GLU 91 N 0.61 1.19 -0.20 1.13 5.08 -1.37 -1.76 114.58 119.26 1rjd h GLU 91 Ca 0.06 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 1rjd h GLU 91 Cb 0.90 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1rjd h GLU 91 CO 0.08 0.89 -0.68 0.35 -1.00 0.00 0.00 179.01 178.65 1rjd h PHE 92 N 1.19 1.03 -0.26 4.33 3.57 -1.27 -2.65 116.94 122.88 1rjd h PHE 92 Ca 0.30 -0.42 -0.11 0.00 3.53 0.00 0.00 57.97 61.27 1rjd h PHE 92 Cb 0.06 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1rjd h PHE 92 CO 0.01 1.24 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.94 1rjd h LEU 93 N 0.57 0.55 -0.71 0.59 3.38 -0.96 -0.26 115.31 118.47 1rjd h LEU 93 Ca -0.02 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1rjd h LEU 93 Cb 1.29 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1rjd h LEU 93 CO 0.14 0.84 -0.11 0.58 0.09 0.00 0.00 178.44 179.98 1rjd h VAL 94 N 0.46 1.26 0.00 1.22 2.07 -1.34 -3.12 116.25 116.81 1rjd h VAL 94 Ca 0.06 -1.21 -0.16 0.00 0.82 0.00 0.00 66.70 66.21 1rjd h VAL 94 Cb 0.77 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1rjd h VAL 94 CO 0.06 0.42 -0.76 0.00 0.02 0.00 0.00 177.57 177.32 1rjd h ALA 95 N 1.08 0.64 -3.10 1.67 0.00 -1.17 -3.41 119.26 114.98 1rjd h ALA 95 Ca 0.13 -0.69 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 1rjd h ALA 95 Cb 0.62 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.89 1rjd h ALA 95 CO 0.04 0.94 -0.74 -0.80 0.00 0.00 0.00 179.25 178.70 1rjd s ASN 96 N -6.69 3.86 0.13 0.00 0.01 -0.13 -5.01 114.94 107.11 1rjd s ASN 96 Ca 0.01 -2.28 -0.18 0.00 -0.71 0.00 0.00 52.86 49.70 1rjd s ASN 96 Cb 0.11 -1.03 -0.03 0.00 0.41 0.00 0.00 41.25 40.71 1rjd s ASN 96 CO 0.78 -0.32 1.77 -0.08 -1.51 0.00 0.00 177.10 177.74 1rjd h GLU 97 N 7.22 0.41 -5.32 -0.60 4.81 -1.80 -3.38 114.58 115.93 1rjd h GLU 97 Ca -0.05 -0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.49 1rjd h GLU 97 Cb 0.96 -0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.10 1rjd h GLU 97 CO 0.48 0.30 0.04 0.21 -0.73 0.00 0.00 179.01 179.32 1rjd s LYS 98 N -6.05 3.46 0.05 1.92 2.20 -1.26 -4.16 119.74 115.90 1rjd s LYS 98 Ca -0.13 -0.24 -0.10 0.00 -0.36 0.00 0.00 55.97 55.14 1rjd s LYS 98 Cb 0.09 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1rjd s LYS 98 CO 0.71 -0.81 0.20 0.08 -0.36 0.00 0.00 175.35 175.17 1rjd s VAL 99 N 2.59 0.12 -0.06 4.02 1.01 -1.18 -4.27 120.40 122.63 1rjd s VAL 99 Ca 0.21 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1rjd s VAL 99 Cb -0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1rjd s VAL 99 CO 0.16 -0.53 -0.22 0.00 0.00 0.00 0.00 175.10 174.50 1rjd s GLN 100 N -2.94 2.35 -0.13 2.72 -2.07 -0.40 -1.41 119.66 117.78 1rjd s GLN 100 Ca -0.02 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.69 1rjd s GLN 100 Cb 0.01 -1.98 -0.03 0.00 -1.09 0.00 0.00 33.01 29.92 1rjd s GLN 100 CO -0.06 0.32 -0.06 0.08 -1.32 0.00 0.00 175.29 174.25 1rjd s VAL 101 N -0.06 3.70 -0.22 3.63 1.01 0.39 -0.58 120.40 128.27 1rjd s VAL 101 Ca -0.05 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1rjd s VAL 101 Cb -0.13 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1rjd s VAL 101 CO 0.04 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1rjd s VAL 102 N 0.04 2.17 -0.48 2.92 1.01 0.46 -0.05 120.40 126.46 1rjd s VAL 102 Ca -0.01 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1rjd s VAL 102 Cb -0.14 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.25 1rjd s VAL 102 CO 0.03 0.25 0.39 0.21 0.00 0.00 0.00 175.10 175.98 1rjd s ASN 103 N 1.20 5.97 -0.22 3.32 3.84 0.05 -0.82 114.94 128.28 1rjd s ASN 103 Ca -0.02 -1.63 -0.26 0.00 0.21 0.00 0.00 52.86 51.16 1rjd s ASN 103 Cb -0.17 -2.12 -0.00 0.00 -0.55 0.00 0.00 41.25 38.42 1rjd s ASN 103 CO -0.09 -0.70 0.89 -0.76 -2.79 0.00 0.00 177.10 173.66 1rjd s LEU 104 N 1.53 4.11 -0.71 3.21 1.43 -0.19 -1.63 118.68 126.41 1rjd s LEU 104 Ca 0.04 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1rjd s LEU 104 Cb -0.26 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1rjd s LEU 104 CO 0.03 -0.54 0.60 0.61 0.23 0.00 0.00 176.35 177.28 1rjd n GLY 105 N 3.56 -0.02 0.27 -3.19 0.00 -0.09 -4.37 105.19 101.34 1rjd n GLY 105 Ca 0.07 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1rjd n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjd n GLY 107 N -0.24 2.42 1.05 0.00 0.00 -1.26 -1.38 105.19 105.78 1rjd n GLY 107 Ca -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1rjd n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rjd n SER 108 N 0.87 2.97 -4.73 1.61 7.64 -1.26 -4.96 113.62 115.75 1rjd n SER 108 Ca 0.00 -2.34 -0.42 0.00 1.01 0.00 0.00 58.87 57.13 1rjd n SER 108 Cb 0.00 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 1rjd n SER 108 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rjd s ASP 109 N -0.55 6.37 -0.06 6.43 -1.08 -0.48 -4.91 116.67 122.40 1rjd s ASP 109 Ca 0.26 2.91 0.11 0.00 -0.52 0.00 0.00 52.55 55.32 1rjd s ASP 109 Cb 0.18 -2.62 0.31 0.00 -1.46 0.00 0.00 42.92 39.34 1rjd s ASP 109 CO 0.10 -0.95 1.25 0.18 0.52 0.00 0.00 175.17 176.27 1rjd n LEU 110 N 3.17 2.99 0.31 -1.34 4.77 -1.26 -4.70 117.00 120.94 1rjd n LEU 110 Ca 0.12 -2.34 0.19 0.00 -0.03 0.00 0.00 56.01 53.95 1rjd n LEU 110 Cb 0.36 -0.29 1.04 0.00 -2.33 0.00 0.00 43.42 42.20 1rjd n LEU 110 CO 0.64 0.68 1.13 0.08 -1.33 0.00 0.00 177.39 178.59 1rjd h ARG 111 N 1.50 0.00 -0.04 3.23 0.11 -1.99 -1.12 114.38 116.07 1rjd h ARG 111 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1rjd h ARG 111 Cb 0.90 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.98 1rjd h ARG 111 CO 0.06 0.01 -0.01 0.00 0.10 0.00 0.00 179.97 180.13 1rjd h MET 112 N 0.00 0.05 0.45 0.08 -0.00 -1.99 -2.84 114.93 110.68 1rjd h MET 112 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 1rjd h MET 112 Cb 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1rjd h MET 112 CO 0.00 0.07 -0.22 -0.07 -0.00 0.00 0.00 176.91 176.70 1rjd h LEU 113 N 0.05 -0.51 -0.63 -0.10 3.38 -1.58 -0.55 115.31 115.38 1rjd h LEU 113 Ca 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1rjd h LEU 113 Cb 0.06 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1rjd h LEU 113 CO 0.00 -0.34 -0.12 1.55 0.09 0.00 0.00 178.44 179.63 1rjd h PRO 114 N -0.64 0.95 -0.50 1.13 0.13 -1.74 -3.21 132.00 128.12 1rjd h PRO 114 Ca -0.06 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1rjd h PRO 114 Cb 0.48 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 1rjd h PRO 114 CO 0.10 1.01 0.25 -0.07 -0.23 0.00 0.00 178.00 179.06 1rjd h LEU 115 N 0.85 0.65 -1.16 1.56 3.38 -1.25 0.91 115.31 120.26 1rjd h LEU 115 Ca 0.13 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1rjd h LEU 115 Cb 0.66 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1rjd h LEU 115 CO 0.05 0.59 0.06 -0.07 0.09 0.00 0.00 178.44 179.16 1rjd h LEU 116 N 0.66 0.61 -0.26 1.67 3.38 -1.20 -0.44 115.31 119.73 1rjd h LEU 116 Ca 0.17 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1rjd h LEU 116 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1rjd h LEU 116 CO -0.02 0.64 -0.46 -0.61 0.09 0.00 0.00 178.44 178.08 1rjd h GLN 117 N 0.63 0.77 0.00 1.13 5.75 -1.41 -3.32 115.11 118.66 1rjd h GLN 117 Ca 0.14 -0.48 -0.10 0.00 -0.15 0.00 0.00 58.65 58.06 1rjd h GLN 117 Cb 0.30 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1rjd h GLN 117 CO 0.00 1.11 -0.48 0.52 -2.65 0.00 0.00 178.83 177.34 1rjd h MET 118 N 0.52 0.00 -3.25 1.69 2.86 -0.17 -3.40 114.93 113.18 1rjd h MET 118 Ca 0.02 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.05 1rjd h MET 118 Cb 1.06 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.32 1rjd h MET 118 CO 0.10 0.48 -0.74 -0.06 1.06 0.00 0.00 176.91 177.75 1rjd s PHE 119 N -3.63 2.08 0.65 -0.22 0.08 -0.24 -5.01 117.98 111.69 1rjd s PHE 119 Ca -0.01 -2.33 0.34 0.00 0.12 0.00 0.00 56.93 55.06 1rjd s PHE 119 Cb 0.12 -1.95 1.88 0.00 -0.57 0.00 0.00 43.02 42.50 1rjd s PHE 119 CO 0.72 -0.81 2.09 -1.35 -0.10 0.00 0.00 175.22 175.76 1rjd h PRO 120 N 7.10 0.00 -0.26 0.24 0.11 -1.79 -1.92 132.00 135.48 1rjd h PRO 120 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1rjd h PRO 120 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1rjd h PRO 120 CO 0.49 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.00 1rjd n HIS 121 N -3.13 0.73 -3.02 0.65 8.25 -1.26 -4.97 115.22 112.47 1rjd n HIS 121 Ca -0.01 -0.78 -0.40 0.00 -0.26 0.00 0.00 57.72 56.27 1rjd n HIS 121 Cb 0.29 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 1rjd n HIS 121 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1rjd s LEU 122 N -2.31 4.38 -0.07 2.41 2.96 -0.72 -3.09 118.68 122.24 1rjd s LEU 122 Ca 0.35 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1rjd s LEU 122 Cb 0.27 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1rjd s LEU 122 CO 0.10 -0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 174.97 1rjd s ALA 123 N 0.36 2.78 -0.03 5.97 0.00 -0.50 -4.84 121.76 125.50 1rjd s ALA 123 Ca 0.38 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1rjd s ALA 123 Cb -0.19 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1rjd s ALA 123 CO 0.20 0.52 -0.09 -0.47 0.00 0.00 0.00 175.76 175.93 1rjd s TYR 124 N -0.63 1.01 -0.14 0.00 5.04 0.34 -0.46 117.35 122.51 1rjd s TYR 124 Ca 0.09 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1rjd s TYR 124 Cb -0.11 -0.74 0.02 0.00 0.35 0.00 0.00 41.96 41.48 1rjd s TYR 124 CO 0.01 -0.13 -0.17 0.08 -1.34 0.00 0.00 175.55 174.00 1rjd s VAL 125 N 0.34 1.72 -0.21 3.14 1.01 0.93 -1.44 120.40 125.88 1rjd s VAL 125 Ca -0.06 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1rjd s VAL 125 Cb -0.10 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1rjd s VAL 125 CO 0.01 0.48 0.19 -1.81 0.00 0.00 0.00 175.10 173.97 1rjd s ASP 126 N 1.23 6.21 -0.05 3.32 1.01 -0.12 -0.77 116.67 127.50 1rjd s ASP 126 Ca 0.00 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.52 1rjd s ASP 126 Cb -0.14 -2.12 0.01 0.00 1.01 0.00 0.00 42.92 41.68 1rjd s ASP 126 CO -0.08 0.10 -0.11 -0.63 0.21 0.00 0.00 175.17 174.66 1rjd s ILE 127 N 0.77 0.99 0.38 0.77 1.01 -0.65 -1.63 121.20 122.83 1rjd s ILE 127 Ca 0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1rjd s ILE 127 Cb -0.13 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.50 1rjd s ILE 127 CO 0.02 0.31 0.75 -0.62 0.00 0.00 0.00 174.94 175.41 1rjd s ASP 128 N 0.45 0.09 0.69 3.58 -1.08 -1.15 -0.92 116.67 118.35 1rjd s ASP 128 Ca -0.09 -1.16 -0.17 0.00 -0.52 0.00 0.00 52.55 50.61 1rjd s ASP 128 Cb -0.13 0.83 0.01 0.00 -1.46 0.00 0.00 42.92 42.16 1rjd s ASP 128 CO 0.02 -1.63 1.13 -1.22 0.52 0.00 0.00 175.17 173.99 1rjd n TYR 129 N -0.53 1.28 -0.26 -5.34 4.02 -1.21 -0.94 117.16 114.18 1rjd n TYR 129 Ca -0.07 0.41 0.02 0.00 -0.01 0.00 0.00 57.90 58.25 1rjd n TYR 129 Cb 0.60 -2.17 0.09 0.00 -0.02 0.00 0.00 39.34 37.85 1rjd n TYR 129 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1rjd h ASN 130 N 0.04 -0.68 -0.32 7.72 -0.73 -1.90 -0.39 115.58 119.32 1rjd h ASN 130 Ca -0.49 0.22 -0.09 0.00 1.87 0.00 0.00 56.30 57.82 1rjd h ASN 130 Cb 1.34 0.46 -0.02 0.00 0.27 0.00 0.00 38.32 40.37 1rjd h ASN 130 CO 0.50 -0.25 -0.11 -0.33 -0.37 0.00 0.00 177.43 176.87 1rjd h GLU 131 N 0.00 0.74 0.02 6.67 3.07 -1.99 -0.44 114.58 122.66 1rjd h GLU 131 Ca 0.37 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1rjd h GLU 131 Cb 0.56 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1rjd h GLU 131 CO -0.77 0.82 -0.01 0.77 -1.40 0.00 0.00 179.01 178.42 1rjd h SER 132 N 0.67 -0.03 0.17 1.42 0.02 -1.72 -2.92 113.55 111.16 1rjd h SER 132 Ca 0.12 -0.42 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 1rjd h SER 132 Cb 0.57 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1rjd h SER 132 CO 0.04 0.41 -0.26 -0.37 -1.14 0.00 0.00 176.83 175.51 1rjd h VAL 133 N -0.47 1.23 -0.67 2.27 -1.51 -0.94 -2.41 116.25 113.75 1rjd h VAL 133 Ca -0.00 -1.06 0.02 0.00 -1.23 0.00 0.00 66.70 64.42 1rjd h VAL 133 Cb 0.44 1.45 -0.04 0.00 -2.13 0.00 0.00 31.29 31.01 1rjd h VAL 133 CO 0.01 0.32 0.43 -0.33 -1.23 0.00 0.00 177.57 176.76 1rjd h GLU 134 N 0.15 0.83 -0.42 5.19 4.39 -1.07 0.36 114.58 124.01 1rjd h GLU 134 Ca 0.02 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1rjd h GLU 134 Cb 0.54 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1rjd h GLU 134 CO 0.04 0.55 -0.08 1.25 -1.16 0.00 0.00 179.01 179.61 1rjd h LEU 135 N 0.86 0.79 -0.32 1.33 5.85 -1.29 -1.47 115.31 121.06 1rjd h LEU 135 Ca 0.26 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1rjd h LEU 135 Cb -0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1rjd h LEU 135 CO -0.08 0.95 0.16 0.50 -0.34 0.00 0.00 178.44 179.64 1rjd h LYS 136 N 0.61 0.46 -0.60 1.25 3.64 -1.15 -1.10 116.57 119.68 1rjd h LYS 136 Ca 0.11 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 1rjd h LYS 136 Cb 0.59 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 1rjd h LYS 136 CO 0.04 0.41 0.14 -0.97 -2.27 0.00 0.00 179.45 176.80 1rjd h ASN 137 N 0.39 0.03 -0.63 4.20 -1.24 -0.86 0.12 115.58 117.59 1rjd h ASN 137 Ca 0.11 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1rjd h ASN 137 Cb 0.10 0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1rjd h ASN 137 CO -0.02 0.02 0.35 0.28 -1.29 0.00 0.00 177.43 176.78 1rjd h SER 138 N 0.28 0.78 -0.12 1.15 0.02 -0.63 -1.95 113.55 113.07 1rjd h SER 138 Ca 0.32 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1rjd h SER 138 Cb 0.47 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1rjd h SER 138 CO -0.39 0.64 -0.10 0.40 -1.14 0.00 0.00 176.83 176.24 1rjd h ILE 139 N 0.85 1.34 -0.49 3.27 2.04 -0.58 -1.62 117.51 122.32 1rjd h ILE 139 Ca 0.22 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1rjd h ILE 139 Cb 0.03 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1rjd h ILE 139 CO -0.04 0.35 0.29 -0.07 0.00 0.00 0.00 178.15 178.69 1rjd h LEU 140 N -0.09 0.58 0.00 1.44 3.38 -0.70 -2.41 115.31 117.51 1rjd h LEU 140 Ca 0.02 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1rjd h LEU 140 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1rjd h LEU 140 CO 0.03 0.45 -0.89 0.03 0.09 0.00 0.00 178.44 178.15 1rjd h ARG 141 N 0.67 0.00 0.14 1.13 3.08 -1.27 -2.86 114.38 115.27 1rjd h ARG 141 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.93 1rjd h ARG 141 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1rjd h ARG 141 CO -0.03 0.24 -1.39 1.49 -1.07 0.00 0.00 179.97 179.20 1rjd h GLU 142 N 0.00 0.29 -6.20 0.04 4.57 -1.01 -3.41 114.58 108.85 1rjd h GLU 142 Ca -0.06 -0.49 -0.56 0.00 -1.18 0.00 0.00 59.36 57.07 1rjd h GLU 142 Cb 1.31 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 30.05 1rjd h GLU 142 CO 0.03 1.19 0.77 0.45 -1.18 0.00 0.00 179.01 180.27 1rjd s SER 143 N -7.11 7.06 0.18 1.04 0.15 -0.93 -4.94 113.70 109.15 1rjd s SER 143 Ca -0.07 1.63 -0.12 0.00 0.70 0.00 0.00 55.95 58.08 1rjd s SER 143 Cb 0.07 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 62.00 1rjd s SER 143 CO 0.88 -0.64 1.77 -0.08 1.20 0.00 0.00 173.24 176.36 1rjd h GLU 144 N 7.63 0.42 -0.36 5.44 4.81 -1.88 -0.51 114.58 130.13 1rjd h GLU 144 Ca -0.28 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 1rjd h GLU 144 Cb 1.12 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1rjd h GLU 144 CO 0.93 0.28 -0.20 0.97 -0.73 0.00 0.00 179.01 180.25 1rjd h ILE 145 N 0.43 1.27 -0.16 2.32 2.10 -1.94 -0.94 117.51 120.59 1rjd h ILE 145 Ca 0.24 -1.27 -0.15 0.00 1.08 0.00 0.00 64.86 64.76 1rjd h ILE 145 Cb 0.21 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1rjd h ILE 145 CO -0.21 0.42 -0.49 -0.07 -1.08 0.00 0.00 178.15 176.73 1rjd h LEU 146 N 0.60 0.70 -0.43 2.19 3.38 -1.75 -1.95 115.31 118.06 1rjd h LEU 146 Ca 0.09 -0.59 0.08 0.00 0.09 0.00 0.00 57.88 57.55 1rjd h LEU 146 Cb 0.67 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1rjd h LEU 146 CO 0.05 1.17 -0.04 0.03 0.09 0.00 0.00 178.44 179.75 1rjd h ARG 147 N 0.27 0.06 -0.71 1.13 3.08 -0.85 -1.84 114.38 115.53 1rjd h ARG 147 Ca -0.02 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1rjd h ARG 147 Cb 1.11 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1rjd h ARG 147 CO 0.10 0.04 0.34 0.82 -1.07 0.00 0.00 179.97 180.20 1rjd h ILE 148 N 0.07 1.23 0.00 2.04 2.04 -1.09 -0.55 117.51 121.24 1rjd h ILE 148 Ca 0.21 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1rjd h ILE 148 Cb 0.31 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1rjd h ILE 148 CO -0.38 0.27 -0.03 0.77 0.00 0.00 0.00 178.15 178.78 1rjd h SER 149 N 1.00 0.00 -0.01 1.72 4.64 -0.53 -2.67 113.55 117.71 1rjd h SER 149 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1rjd h SER 149 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1rjd h SER 149 CO -0.03 0.03 -0.01 0.18 -0.87 0.00 0.00 176.83 176.13 1rjd n LEU 150 N -3.32 1.32 -2.36 5.97 4.77 -0.91 -4.95 117.00 117.53 1rjd n LEU 150 Ca -0.02 -0.97 -0.16 0.00 -0.03 0.00 0.00 56.01 54.83 1rjd n LEU 150 Cb 0.16 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1rjd n LEU 150 CO 0.25 0.28 0.05 0.61 -1.33 0.00 0.00 177.39 177.25 1rjd n GLY 151 N 0.32 -0.16 3.93 -0.72 0.00 -0.51 -4.89 105.19 103.16 1rjd n GLY 151 Ca 0.03 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1rjd n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjd s LEU 152 N -5.07 4.06 0.11 0.99 1.43 -0.33 -5.02 118.68 114.86 1rjd s LEU 152 Ca 0.28 0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.78 1rjd s LEU 152 Cb -0.12 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1rjd s LEU 152 CO 0.34 -0.23 0.39 -0.94 0.23 0.00 0.00 176.35 176.15 1rjd s SER 153 N -3.72 6.57 0.53 2.29 1.04 -1.26 -4.74 113.70 114.42 1rjd s SER 153 Ca 0.40 0.71 0.22 0.00 0.48 0.00 0.00 55.95 57.77 1rjd s SER 153 Cb -0.10 -2.14 1.46 0.00 0.10 0.00 0.00 66.02 65.33 1rjd s SER 153 CO 0.34 0.11 2.15 0.50 0.98 0.00 0.00 173.24 177.32 1rjd h LYS 154 N 3.30 0.00 -6.44 4.02 3.64 -1.99 -3.44 116.57 115.66 1rjd h LYS 154 Ca -0.48 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.39 1rjd h LYS 154 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1rjd h LYS 154 CO 0.69 0.05 -0.20 -1.21 -2.27 0.00 0.00 179.45 176.51 1rjd s GLU 155 N -4.72 3.56 -1.01 1.90 8.01 -1.26 -4.77 118.70 120.42 1rjd s GLU 155 Ca -0.05 -0.17 -0.23 0.00 0.01 0.00 0.00 54.97 54.54 1rjd s GLU 155 Cb 0.16 -2.69 0.06 0.00 -4.31 0.00 0.00 34.13 27.34 1rjd s GLU 155 CO 0.62 0.23 1.42 -0.51 0.01 0.00 0.00 175.26 177.03 1rjd s ASP 156 N -3.42 6.51 -0.04 -0.19 1.11 -1.26 -4.81 116.67 114.58 1rjd s ASP 156 Ca 0.42 -1.50 0.17 0.00 0.18 0.00 0.00 52.55 51.81 1rjd s ASP 156 Cb -0.10 -2.56 0.54 0.00 1.07 0.00 0.00 42.92 41.87 1rjd s ASP 156 CO 0.32 -1.47 1.45 0.35 1.18 0.00 0.00 175.17 177.00 1rjd n THR 157 N 6.77 1.28 -3.73 -1.27 -2.24 -1.26 -4.92 114.28 108.90 1rjd n THR 157 Ca 0.32 -1.11 -0.31 0.00 -2.27 0.00 0.00 64.05 60.68 1rjd n THR 157 Cb 0.51 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1rjd n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjd s ALA 158 N -1.32 3.85 0.17 6.98 0.00 -1.26 -5.05 121.76 125.12 1rjd s ALA 158 Ca 0.40 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1rjd s ALA 158 Cb 0.23 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1rjd s ALA 158 CO 0.23 0.68 0.19 1.63 0.00 0.00 0.00 175.76 178.50 1rjd n LYS 159 N 0.05 1.03 -2.24 0.00 5.02 -1.26 -4.87 118.16 115.89 1rjd n LYS 159 Ca -0.03 -0.98 -0.37 0.00 -2.02 0.00 0.00 58.31 54.91 1rjd n LYS 159 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 1rjd n LYS 159 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rjd s SER 160 N -2.04 6.08 -0.24 4.39 0.15 -1.26 -1.17 113.70 119.61 1rjd s SER 160 Ca 0.15 2.31 0.10 0.00 0.70 0.00 0.00 55.95 59.21 1rjd s SER 160 Cb -0.01 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.39 1rjd s SER 160 CO 0.09 -0.98 1.63 -0.81 1.20 0.00 0.00 173.24 174.37 1rjd n PRO 161 N -0.60 3.98 -4.20 5.44 -0.04 -1.26 -5.09 135.00 133.23 1rjd n PRO 161 Ca 0.08 -2.72 -0.31 0.00 -0.04 0.00 0.00 63.50 60.51 1rjd n PRO 161 Cb 0.48 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.71 1rjd n PRO 161 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rjd s PHE 162 N -2.60 3.03 -0.11 0.54 0.40 -0.32 -4.24 117.98 114.69 1rjd s PHE 162 Ca 0.48 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.87 1rjd s PHE 162 Cb 0.37 -1.60 -0.24 0.00 0.51 0.00 0.00 43.02 42.06 1rjd s PHE 162 CO 0.13 0.47 0.41 1.28 0.70 0.00 0.00 175.22 178.21 1rjd n LEU 163 N 0.93 1.77 -4.05 -0.37 4.77 0.38 -4.00 117.00 116.42 1rjd n LEU 163 Ca -0.12 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 1rjd n LEU 163 Cb 0.52 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 1rjd n LEU 163 CO 0.37 0.65 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.99 1rjd s ILE 164 N -2.57 1.03 -0.45 -0.08 1.01 -1.09 -4.46 121.20 114.59 1rjd s ILE 164 Ca -0.15 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1rjd s ILE 164 Cb 0.07 -0.90 0.19 0.00 0.01 0.00 0.00 42.46 41.83 1rjd s ILE 164 CO 0.78 0.31 0.53 -0.67 0.00 0.00 0.00 174.94 175.89 1rjd n ASP 165 N 3.26 -1.61 -3.78 3.58 2.03 -1.26 -1.39 116.55 117.38 1rjd n ASP 165 Ca -0.18 -2.66 -0.30 0.00 0.52 0.00 0.00 54.79 52.17 1rjd n ASP 165 Cb 0.54 0.40 -0.15 0.00 -0.72 0.00 0.00 41.12 41.18 1rjd n ASP 165 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1rjd s GLN 166 N 0.25 0.88 2.61 -0.67 2.00 -0.78 -5.01 119.66 118.94 1rjd s GLN 166 Ca 0.32 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 1rjd s GLN 166 Cb 0.05 -2.18 0.00 0.00 0.80 0.00 0.00 33.01 31.68 1rjd s GLN 166 CO -0.14 -0.86 0.00 0.41 -0.50 0.00 0.00 175.29 174.19 1rjd n GLY 167 N 4.82 0.43 0.77 2.59 0.00 -1.26 -2.13 105.19 110.41 1rjd n GLY 167 Ca -0.04 0.72 0.07 0.00 0.00 0.00 0.00 46.02 46.76 1rjd n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjd n ARG 168 N 0.00 2.92 -4.67 1.61 1.74 -1.26 -4.92 116.66 112.08 1rjd n ARG 168 Ca 0.00 -2.27 -0.25 0.00 -0.77 0.00 0.00 57.85 54.55 1rjd n ARG 168 Cb 0.00 -1.43 -0.16 0.00 -1.02 0.00 0.00 32.46 29.85 1rjd n ARG 168 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1rjd s TYR 169 N -1.40 1.56 -0.03 -1.55 5.04 -0.91 -0.51 117.35 119.56 1rjd s TYR 169 Ca 0.29 -0.55 0.05 0.00 -2.44 0.00 0.00 57.07 54.42 1rjd s TYR 169 Cb 0.18 -1.11 -0.01 0.00 0.35 0.00 0.00 41.96 41.37 1rjd s TYR 169 CO 0.16 -0.26 -0.17 0.15 -1.34 0.00 0.00 175.55 174.08 1rjd s LYS 170 N 0.51 1.60 -0.16 4.97 1.02 -0.52 -1.87 119.74 125.28 1rjd s LYS 170 Ca -0.13 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.25 1rjd s LYS 170 Cb -0.15 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1rjd s LYS 170 CO 0.04 0.32 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.42 1rjd s LEU 171 N -0.20 2.02 0.01 3.17 2.96 -0.49 -0.95 118.68 125.20 1rjd s LEU 171 Ca 0.02 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1rjd s LEU 171 Cb -0.09 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1rjd s LEU 171 CO 0.01 0.00 -0.04 0.00 -1.32 0.00 0.00 176.35 175.00 1rjd s ALA 172 N 1.23 0.26 0.11 5.97 0.00 -0.65 -0.47 121.76 128.22 1rjd s ALA 172 Ca 0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1rjd s ALA 172 Cb -0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1rjd s ALA 172 CO -0.10 0.01 0.75 0.00 0.00 0.00 0.00 175.76 176.42 1rjd s ALA 173 N -0.50 3.43 -0.23 0.00 0.00 -1.26 -2.92 121.76 120.28 1rjd s ALA 173 Ca -0.04 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1rjd s ALA 173 Cb -0.04 -2.94 0.09 0.00 0.00 0.00 0.00 23.12 20.23 1rjd s ALA 173 CO -0.00 0.21 0.84 0.00 0.00 0.00 0.00 175.76 176.80 1rjd s ASP 175 N -0.05 6.23 0.00 0.00 -1.08 -1.26 -3.35 116.67 117.16 1rjd s ASP 175 Ca -0.01 -0.74 0.16 0.00 -0.52 0.00 0.00 52.55 51.44 1rjd s ASP 175 Cb -0.04 -2.27 0.80 0.00 -1.46 0.00 0.00 42.92 39.95 1rjd s ASP 175 CO 0.00 -0.76 1.49 0.18 0.52 0.00 0.00 175.17 176.61 1rjd n LEU 176 N 5.96 0.00 0.00 -1.34 4.77 -1.26 -1.08 117.00 124.04 1rjd n LEU 176 Ca -0.06 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1rjd n LEU 176 Cb 0.46 -0.34 0.65 0.00 -2.33 0.00 0.00 43.42 41.87 1rjd n LEU 176 CO 0.51 -0.15 0.97 0.59 -1.33 0.00 0.00 177.39 177.98 1rjd n ASN 177 N -1.34 0.00 -4.15 -1.43 5.03 -1.26 -4.57 115.26 107.54 1rjd n ASN 177 Ca 0.07 0.28 -0.38 0.00 0.87 0.00 0.00 54.58 55.42 1rjd n ASN 177 Cb 0.15 -0.43 -0.10 0.00 -1.02 0.00 0.00 39.78 38.38 1rjd n ASN 177 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1rjd s ASP 178 N -2.85 5.46 0.43 6.41 -1.08 -0.24 -4.97 116.67 119.83 1rjd s ASP 178 Ca 0.19 -2.21 0.12 0.00 -0.52 0.00 0.00 52.55 50.13 1rjd s ASP 178 Cb 0.19 -1.91 0.95 0.00 -1.46 0.00 0.00 42.92 40.69 1rjd s ASP 178 CO 0.50 -0.55 1.99 -0.29 0.52 0.00 0.00 175.17 177.33 1rjd h ILE 179 N 5.97 1.13 -0.08 4.11 6.09 -1.82 -1.27 117.51 131.64 1rjd h ILE 179 Ca -0.12 -0.58 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 1rjd h ILE 179 Cb 1.03 1.20 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 1rjd h ILE 179 CO 0.76 0.18 -0.01 0.74 -3.07 0.00 0.00 178.15 176.75 1rjd h THR 180 N 0.11 1.26 -0.59 2.19 2.02 -1.94 0.46 112.91 116.43 1rjd h THR 180 Ca 0.02 -0.83 0.08 0.00 0.77 0.00 0.00 66.41 66.46 1rjd h THR 180 Cb 0.28 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 1rjd h THR 180 CO 0.02 0.23 0.24 -0.33 0.37 0.00 0.00 175.52 176.05 1rjd h GLU 181 N -0.15 0.43 -0.22 6.66 5.08 -1.83 -2.11 114.58 122.45 1rjd h GLU 181 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1rjd h GLU 181 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rjd h GLU 181 CO 0.01 0.29 0.09 1.15 -1.00 0.00 0.00 179.01 179.55 1rjd h THR 182 N 0.45 1.16 -0.14 1.13 2.02 -0.85 -1.48 112.91 115.20 1rjd h THR 182 Ca 0.29 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 1rjd h THR 182 Cb 0.31 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1rjd h THR 182 CO -0.26 0.16 -0.50 0.71 0.37 0.00 0.00 175.52 175.99 1rjd h THR 183 N 0.21 1.33 -0.41 3.16 1.35 -0.76 -1.09 112.91 116.71 1rjd h THR 183 Ca 0.08 -1.73 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 1rjd h THR 183 Cb 0.16 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1rjd h THR 183 CO -0.01 0.53 -0.04 0.03 -0.25 0.00 0.00 175.52 175.78 1rjd h ARG 184 N 0.29 0.67 -0.04 4.72 3.08 -1.19 -0.33 114.38 121.58 1rjd h ARG 184 Ca 0.01 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1rjd h ARG 184 Cb 0.98 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1rjd h ARG 184 CO 0.08 0.72 -0.03 1.25 -1.07 0.00 0.00 179.97 180.92 1rjd h LEU 185 N 0.63 0.10 -1.55 3.04 5.85 -0.92 -3.17 115.31 119.29 1rjd h LEU 185 Ca 0.12 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1rjd h LEU 185 Cb 0.45 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1rjd h LEU 185 CO 0.02 0.53 0.31 -0.07 -0.34 0.00 0.00 178.44 178.89 1rjd h LEU 186 N -0.33 0.53 -2.21 2.25 3.38 -0.96 -0.54 115.31 117.43 1rjd h LEU 186 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rjd h LEU 186 Cb 0.50 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1rjd h LEU 186 CO 0.01 0.38 -0.02 0.44 0.09 0.00 0.00 178.44 179.34 1rjd h ASP 187 N 0.62 0.00 -0.03 -0.43 3.32 -1.03 -2.04 116.42 116.83 1rjd h ASP 187 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1rjd h ASP 187 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1rjd h ASP 187 CO -0.04 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.83 1rjd n VAL 188 N -3.19 0.03 -0.56 -1.35 0.24 -0.23 -4.60 118.33 108.67 1rjd n VAL 188 Ca -0.01 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1rjd n VAL 188 Cb 0.19 1.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1rjd n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjd s THR 190 N -0.18 0.11 0.06 0.00 -4.23 -0.80 -4.96 115.64 105.64 1rjd s THR 190 Ca 0.00 -1.60 0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1rjd s THR 190 Cb 0.00 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1rjd s THR 190 CO 0.00 -0.51 -0.25 -0.54 -0.54 0.00 0.00 174.62 172.78 1rjd s LYS 191 N -3.97 1.64 0.23 3.99 -0.14 -1.26 -4.74 119.74 115.49 1rjd s LYS 191 Ca 0.16 -1.10 -0.06 0.00 -1.36 0.00 0.00 55.97 53.62 1rjd s LYS 191 Cb 0.06 -1.84 0.37 0.00 -1.68 0.00 0.00 37.83 34.73 1rjd s LYS 191 CO -0.03 0.47 1.78 -0.09 -0.76 0.00 0.00 175.35 176.73 1rjd h ARG 192 N 4.70 0.62 -0.01 1.68 2.43 -1.97 -2.99 114.38 118.83 1rjd h ARG 192 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1rjd h ARG 192 Cb 1.15 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1rjd h ARG 192 CO 0.43 0.41 -0.27 0.39 -1.51 0.00 0.00 179.97 179.42 1rjd n GLU 193 N -4.84 1.11 -2.70 0.20 -0.58 -1.26 -1.69 120.64 110.87 1rjd n GLU 193 Ca 0.12 -0.75 -0.42 0.00 -0.42 0.00 0.00 57.16 55.69 1rjd n GLU 193 Cb 0.29 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1rjd n GLU 193 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rjd s ILE 194 N -2.41 4.83 0.19 -3.67 1.01 -1.13 -4.88 121.20 115.14 1rjd s ILE 194 Ca 0.25 2.04 -0.32 0.00 0.00 0.00 0.00 60.65 62.61 1rjd s ILE 194 Cb 0.19 -4.31 -0.15 0.00 0.01 0.00 0.00 42.46 38.21 1rjd s ILE 194 CO 0.50 0.14 1.29 -2.65 0.00 0.00 0.00 174.94 174.22 1rjd n PRO 195 N 4.05 1.57 -4.48 2.79 -0.02 -1.26 -4.71 135.00 132.93 1rjd n PRO 195 Ca 0.06 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.86 1rjd n PRO 195 Cb 0.51 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 1rjd n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rjd s THR 196 N -0.04 1.09 -0.19 3.45 2.01 -0.35 -1.28 115.64 120.33 1rjd s THR 196 Ca 0.72 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 1rjd s THR 196 Cb -0.77 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1rjd s THR 196 CO 0.50 0.35 0.09 -0.63 -0.69 0.00 0.00 174.62 174.24 1rjd s ILE 197 N 0.80 4.95 -0.16 1.82 1.01 0.25 -0.98 121.20 128.90 1rjd s ILE 197 Ca -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 1rjd s ILE 197 Cb -0.15 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1rjd s ILE 197 CO 0.02 0.44 -0.03 -0.69 0.00 0.00 0.00 174.94 174.68 1rjd s VAL 198 N 0.49 3.96 -0.15 2.92 1.01 0.29 -0.40 120.40 128.53 1rjd s VAL 198 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1rjd s VAL 198 Cb -0.12 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1rjd s VAL 198 CO 0.00 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1rjd s ILE 199 N 0.37 3.12 -0.38 2.22 1.01 -0.00 -0.56 121.20 126.98 1rjd s ILE 199 Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1rjd s ILE 199 Cb -0.14 -2.33 0.12 0.00 0.01 0.00 0.00 42.46 40.12 1rjd s ILE 199 CO 0.03 0.51 0.18 -0.94 0.00 0.00 0.00 174.94 174.71 1rjd s SER 200 N 0.56 3.77 -0.44 3.58 1.04 -0.47 -1.03 113.70 120.72 1rjd s SER 200 Ca -0.07 -2.22 -0.12 0.00 0.48 0.00 0.00 55.95 54.01 1rjd s SER 200 Cb -0.15 -0.94 0.07 0.00 0.10 0.00 0.00 66.02 65.09 1rjd s SER 200 CO 0.03 -0.33 0.32 -0.70 0.98 0.00 0.00 173.24 173.55 1rjd s GLU 201 N 0.88 2.81 -1.39 4.02 2.12 -1.26 -1.52 118.70 124.36 1rjd s GLU 201 Ca 0.15 -1.37 -0.07 0.00 0.36 0.00 0.00 54.97 54.04 1rjd s GLU 201 Cb -0.22 -3.95 0.03 0.00 0.26 0.00 0.00 34.13 30.26 1rjd s GLU 201 CO -0.09 -0.96 0.95 0.00 -0.54 0.00 0.00 175.26 174.62 1rjd n LEU 203 N -4.57 1.44 0.24 0.00 7.94 -1.26 -4.77 117.00 116.01 1rjd n LEU 203 Ca -0.11 0.23 0.09 0.00 -1.11 0.00 0.00 56.01 55.11 1rjd n LEU 203 Cb 0.60 -0.54 0.58 0.00 0.53 0.00 0.00 43.42 44.59 1rjd n LEU 203 CO 0.69 -0.17 0.90 -0.07 -1.11 0.00 0.00 177.39 177.63 1rjd h LEU 204 N -0.59 0.00 -2.74 -1.96 3.38 -1.88 -2.41 115.31 109.12 1rjd h LEU 204 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1rjd h LEU 204 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1rjd h LEU 204 CO -0.09 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1rjd n TYR 206 N -2.97 0.08 -4.08 0.00 4.02 -0.90 -3.59 117.16 109.71 1rjd n TYR 206 Ca -0.03 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.90 57.51 1rjd n TYR 206 Cb 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.33 1rjd n TYR 206 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1rjd s MET 207 N -1.92 2.99 0.60 -0.72 -1.94 -0.60 -4.79 119.30 112.92 1rjd s MET 207 Ca 0.32 -0.57 -0.18 0.00 -1.71 0.00 0.00 55.69 53.54 1rjd s MET 207 Cb 0.20 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 1rjd s MET 207 CO 0.31 0.61 1.21 -1.01 -0.01 0.00 0.00 175.02 176.13 1rjd s HIS 208 N -1.28 2.36 0.28 -0.03 3.76 -1.26 -4.48 115.29 114.65 1rjd s HIS 208 Ca 0.26 1.52 0.02 0.00 -0.15 0.00 0.00 55.06 56.71 1rjd s HIS 208 Cb -0.12 -3.49 0.61 0.00 1.11 0.00 0.00 32.58 30.70 1rjd s HIS 208 CO 0.18 -2.26 1.79 -0.97 -0.85 0.00 0.00 174.74 172.63 1rjd h ASN 209 N 0.80 0.77 -0.64 1.40 -0.73 -1.94 -1.52 115.58 113.72 1rjd h ASN 209 Ca -0.50 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 57.73 1rjd h ASN 209 Cb 1.30 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.79 1rjd h ASN 209 CO 0.55 0.34 0.36 0.78 -0.37 0.00 0.00 177.43 179.09 1rjd h ASN 210 N 0.81 0.79 -0.26 1.15 -0.26 -1.99 0.63 115.58 116.45 1rjd h ASN 210 Ca 0.52 -0.09 -0.13 0.00 -0.56 0.00 0.00 56.30 56.04 1rjd h ASN 210 Cb 0.68 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1rjd h ASN 210 CO -0.33 0.65 -0.36 -0.33 -1.06 0.00 0.00 177.43 176.00 1rjd h GLU 211 N 0.87 0.69 -0.40 0.81 3.07 -1.71 -2.09 114.58 115.82 1rjd h GLU 211 Ca 0.23 -0.40 -0.13 0.00 -0.50 0.00 0.00 59.36 58.56 1rjd h GLU 211 Cb 0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1rjd h GLU 211 CO -0.04 1.02 -0.25 0.66 -1.40 0.00 0.00 179.01 179.01 1rjd h SER 212 N 0.42 0.90 -0.47 1.42 4.64 -1.18 -1.99 113.55 117.30 1rjd h SER 212 Ca 0.03 -0.42 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1rjd h SER 212 Cb 0.94 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1rjd h SER 212 CO 0.08 1.13 -0.11 -0.61 -0.87 0.00 0.00 176.83 176.46 1rjd h GLN 213 N 0.68 0.94 -0.39 4.77 5.75 -0.84 -0.72 115.11 125.30 1rjd h GLN 213 Ca 0.08 -0.33 -0.12 0.00 -0.15 0.00 0.00 58.65 58.13 1rjd h GLN 213 Cb 0.82 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1rjd h GLN 213 CO 0.07 0.99 -0.24 1.25 -2.65 0.00 0.00 178.83 178.25 1rjd h LEU 214 N 0.84 0.80 -0.26 -2.39 5.85 -1.36 0.01 115.31 118.80 1rjd h LEU 214 Ca 0.13 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1rjd h LEU 214 Cb 0.64 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1rjd h LEU 214 CO 0.04 1.01 0.11 0.25 -0.34 0.00 0.00 178.44 179.51 1rjd h LEU 215 N 0.68 0.35 0.38 2.25 5.85 -1.03 -0.59 115.31 123.20 1rjd h LEU 215 Ca 0.09 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1rjd h LEU 215 Cb 0.76 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1rjd h LEU 215 CO 0.06 0.40 -0.25 0.40 -0.34 0.00 0.00 178.44 178.72 1rjd h ILE 216 N 0.27 0.48 -0.60 4.05 2.04 -0.94 -1.99 117.51 120.82 1rjd h ILE 216 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1rjd h ILE 216 Cb 0.16 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1rjd h ILE 216 CO -0.01 0.00 0.38 0.78 0.00 0.00 0.00 178.15 179.30 1rjd h ASN 217 N -0.61 0.63 -0.03 1.72 2.35 -0.97 -1.03 115.58 117.63 1rjd h ASN 217 Ca -0.04 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1rjd h ASN 217 Cb 0.51 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1rjd h ASN 217 CO 0.03 0.45 -0.00 0.74 -1.65 0.00 0.00 177.43 177.00 1rjd h THR 218 N 0.76 1.28 -0.57 2.81 2.02 -1.09 -1.58 112.91 116.53 1rjd h THR 218 Ca 0.24 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 1rjd h THR 218 Cb -0.02 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1rjd h THR 218 CO -0.08 0.22 -0.08 0.40 0.37 0.00 0.00 175.52 176.35 1rjd h ILE 219 N -0.27 1.27 -0.55 3.11 2.04 -1.30 -1.76 117.51 120.05 1rjd h ILE 219 Ca 0.01 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1rjd h ILE 219 Cb 0.36 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1rjd h ILE 219 CO 0.00 0.44 0.26 0.24 0.00 0.00 0.00 178.15 179.10 1rjd h MET 220 N 0.94 0.77 0.00 2.37 2.86 -1.19 -2.51 114.93 118.18 1rjd h MET 220 Ca 0.15 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1rjd h MET 220 Cb 0.65 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1rjd h MET 220 CO 0.05 0.61 -0.37 0.77 1.06 0.00 0.00 176.91 179.02 1rjd h SER 221 N 0.77 0.00 1.48 1.22 0.02 -0.84 -3.29 113.55 112.92 1rjd h SER 221 Ca 0.19 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1rjd h SER 221 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1rjd h SER 221 CO -0.02 0.37 -0.44 0.11 -1.14 0.00 0.00 176.83 175.71 1rjd h LYS 222 N 0.00 0.00 -5.96 3.45 1.57 -0.87 -3.45 116.57 111.31 1rjd h LYS 222 Ca -0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 1rjd h LYS 222 Cb 0.78 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.78 1rjd h LYS 222 CO 0.05 0.44 -0.87 -0.06 -0.57 0.00 0.00 179.45 178.44 1rjd s PHE 223 N -3.04 2.49 0.28 -1.35 0.08 -1.19 -4.54 117.98 110.71 1rjd s PHE 223 Ca 0.04 -0.69 -0.01 0.00 0.12 0.00 0.00 56.93 56.39 1rjd s PHE 223 Cb 0.08 -1.62 0.40 0.00 -0.57 0.00 0.00 43.02 41.30 1rjd s PHE 223 CO 0.73 -0.20 1.81 0.77 -0.10 0.00 0.00 175.22 178.23 1rjd h SER 224 N 6.08 0.74 -3.13 1.36 0.02 -1.63 -3.43 113.55 113.56 1rjd h SER 224 Ca -0.32 -0.15 -0.48 0.00 -0.84 0.00 0.00 61.79 60.01 1rjd h SER 224 Cb 1.18 -0.19 -0.41 0.00 0.14 0.00 0.00 62.40 63.12 1rjd h SER 224 CO 0.48 0.76 -0.75 -2.28 -1.14 0.00 0.00 176.83 173.89 1rjd s HIS 225 N -5.12 0.49 0.05 3.45 5.65 -1.26 -0.33 115.29 118.22 1rjd s HIS 225 Ca -0.09 -0.50 -0.01 0.00 0.25 0.00 0.00 55.06 54.70 1rjd s HIS 225 Cb 0.15 -0.81 -0.03 0.00 -1.18 0.00 0.00 32.58 30.71 1rjd s HIS 225 CO 0.80 -0.54 -0.02 0.20 -0.65 0.00 0.00 174.74 174.53 1rjd s GLY 226 N 2.04 0.41 -0.06 1.59 0.00 -0.28 -1.22 107.32 109.80 1rjd s GLY 226 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1rjd s GLY 226 CO -0.09 -1.18 -0.04 -2.27 0.00 0.00 0.00 173.10 169.52 1rjd s LEU 227 N -2.67 1.13 -0.21 0.66 2.96 -0.15 -1.97 118.68 118.43 1rjd s LEU 227 Ca 0.03 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1rjd s LEU 227 Cb 0.05 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 1rjd s LEU 227 CO -0.09 -0.09 -0.05 0.86 -1.32 0.00 0.00 176.35 175.66 1rjd s TRP 228 N 1.30 2.95 -0.29 5.38 -0.11 0.78 -0.54 118.94 128.40 1rjd s TRP 228 Ca -0.05 -0.89 -0.06 0.00 1.22 0.00 0.00 56.10 56.32 1rjd s TRP 228 Cb -0.14 -2.07 0.01 0.00 -1.50 0.00 0.00 33.47 29.78 1rjd s TRP 228 CO -0.02 -0.50 0.07 0.42 -4.62 0.00 0.00 176.95 172.30 1rjd s ILE 229 N 1.32 3.83 -0.04 5.86 1.01 0.27 -0.95 121.20 132.49 1rjd s ILE 229 Ca 0.04 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1rjd s ILE 229 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1rjd s ILE 229 CO -0.02 0.07 -0.24 -0.55 0.00 0.00 0.00 174.94 174.19 1rjd s SER 230 N 1.47 2.94 -0.01 3.58 0.15 0.02 -1.37 113.70 120.48 1rjd s SER 230 Ca 0.02 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.24 1rjd s SER 230 Cb -0.17 -0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 63.50 1rjd s SER 230 CO 0.02 0.26 -0.16 -0.47 1.20 0.00 0.00 173.24 174.09 1rjd s TYR 231 N -0.31 1.41 -0.03 3.44 5.04 -0.57 -0.75 117.35 125.58 1rjd s TYR 231 Ca 0.02 -0.28 -0.30 0.00 -2.44 0.00 0.00 57.07 54.07 1rjd s TYR 231 Cb -0.12 -0.92 0.11 0.00 0.35 0.00 0.00 41.96 41.38 1rjd s TYR 231 CO 0.02 -0.03 1.08 -0.51 -1.34 0.00 0.00 175.55 174.76 1rjd s ASP 232 N -0.33 -0.20 0.60 4.32 1.01 -1.13 -1.19 116.67 119.75 1rjd s ASP 232 Ca 0.05 -0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.12 1rjd s ASP 232 Cb -0.06 0.29 -0.01 0.00 1.01 0.00 0.00 42.92 44.15 1rjd s ASP 232 CO -0.00 -0.50 0.95 -2.16 0.21 0.00 0.00 175.17 173.67 1rjd s PRO 233 N -2.81 3.18 0.07 8.23 0.04 -1.26 -1.18 135.00 141.27 1rjd s PRO 233 Ca 0.10 0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.50 1rjd s PRO 233 Cb 0.00 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1rjd s PRO 233 CO -0.04 -0.65 -0.13 0.96 0.04 0.00 0.00 177.00 177.17 1rjd s ILE 234 N -3.07 1.02 0.25 0.56 -4.36 0.70 -4.86 121.20 111.43 1rjd s ILE 234 Ca 0.54 -1.33 0.18 0.00 -0.26 0.00 0.00 60.65 59.78 1rjd s ILE 234 Cb -0.11 -1.05 0.13 0.00 1.25 0.00 0.00 42.46 42.68 1rjd s ILE 234 CO 0.49 -0.29 1.78 1.23 0.24 0.00 0.00 174.94 178.38 1rjd h GLY 235 N 4.20 0.00 0.00 6.27 0.00 -1.39 -3.44 103.07 108.71 1rjd h GLY 235 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1rjd h GLY 235 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1rjd n GLY 236 N -0.01 2.06 0.08 4.60 0.00 -0.48 -2.10 105.19 109.35 1rjd n GLY 236 Ca -0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 1rjd n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rjd n SER 237 N 0.00 2.24 -4.54 1.61 3.41 -1.12 -4.82 113.62 110.40 1rjd n SER 237 Ca 0.00 -0.06 -0.44 0.00 -0.26 0.00 0.00 58.87 58.11 1rjd n SER 237 Cb 0.00 0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1rjd n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjd n GLN 238 N -2.84 1.03 -1.87 4.33 1.13 -1.26 -4.89 117.38 113.02 1rjd n GLN 238 Ca -0.28 0.37 -0.31 0.00 -1.94 0.00 0.00 57.00 54.83 1rjd n GLN 238 Cb 0.88 -1.71 0.01 0.00 0.11 0.00 0.00 30.24 29.54 1rjd n GLN 238 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1rjd s PRO 239 N -1.57 3.52 -1.88 -1.09 0.04 -1.26 -2.87 135.00 129.90 1rjd s PRO 239 Ca 0.61 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1rjd s PRO 239 Cb -0.69 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1rjd s PRO 239 CO 0.59 -0.63 0.00 -1.71 0.04 0.00 0.00 177.00 175.28 1rjd n ASN 240 N -2.71 -5.69 -4.39 6.66 5.15 -1.26 -4.97 115.26 108.05 1rjd n ASN 240 Ca 0.06 0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.77 1rjd n ASN 240 Cb 0.54 -4.82 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 1rjd n ASN 240 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rjd s ASP 241 N -2.25 5.90 -0.15 1.20 -1.08 -1.14 -4.95 116.67 114.21 1rjd s ASP 241 Ca 0.00 -1.09 0.14 0.00 -0.52 0.00 0.00 52.55 51.08 1rjd s ASP 241 Cb 0.00 -2.09 0.67 0.00 -1.46 0.00 0.00 42.92 40.05 1rjd s ASP 241 CO 0.00 -0.47 1.56 0.54 0.52 0.00 0.00 175.17 177.31 1rjd n ARG 242 N 5.07 3.85 0.01 4.34 1.74 -1.26 -4.57 116.66 125.84 1rjd n ARG 242 Ca -0.11 -2.62 -0.12 0.00 -0.77 0.00 0.00 57.85 54.23 1rjd n ARG 242 Cb 0.45 -1.98 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 1rjd n ARG 242 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1rjd h PHE 243 N 3.57 0.07 -0.48 -1.55 3.57 -1.93 -0.83 116.94 119.36 1rjd h PHE 243 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1rjd h PHE 243 Cb 1.52 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 1rjd h PHE 243 CO 0.80 0.09 -0.08 0.78 -2.23 0.00 0.00 178.31 177.67 1rjd h GLY 244 N 0.03 0.97 1.14 2.40 0.00 -1.67 -1.28 103.07 104.67 1rjd h GLY 244 Ca 0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 47.33 46.42 1rjd h GLY 244 CO -0.00 0.71 -0.36 0.00 0.00 0.00 0.00 176.54 176.89 1rjd h ALA 245 N 0.89 0.60 -0.40 3.60 0.00 -1.84 -0.19 119.26 121.92 1rjd h ALA 245 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1rjd h ALA 245 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1rjd h ALA 245 CO 0.04 0.68 0.20 0.82 0.00 0.00 0.00 179.25 180.99 1rjd h ILE 246 N 0.78 1.17 -0.40 0.00 2.04 -1.09 0.98 117.51 120.99 1rjd h ILE 246 Ca 0.07 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1rjd h ILE 246 Cb 0.95 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1rjd h ILE 246 CO 0.09 0.18 0.07 -0.03 0.00 0.00 0.00 178.15 178.46 1rjd h MET 247 N 0.51 0.65 -0.40 2.37 4.05 -1.03 0.24 114.93 121.32 1rjd h MET 247 Ca 0.14 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 1rjd h MET 247 Cb 0.10 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1rjd h MET 247 CO -0.02 0.70 -0.04 1.96 0.23 0.00 0.00 176.91 179.74 1rjd h GLN 248 N 0.50 0.74 -0.57 0.39 4.20 -0.93 -1.08 115.11 118.37 1rjd h GLN 248 Ca 0.12 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1rjd h GLN 248 Cb 0.36 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1rjd h GLN 248 CO 0.01 0.85 0.01 1.03 -0.67 0.00 0.00 178.83 180.05 1rjd h SER 249 N 0.56 0.95 -0.15 1.46 0.87 -0.70 -2.42 113.55 114.14 1rjd h SER 249 Ca 0.11 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1rjd h SER 249 Cb 0.54 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1rjd h SER 249 CO 0.03 1.00 -0.13 -1.13 -0.53 0.00 0.00 176.83 176.08 1rjd h ASN 250 N 0.90 0.37 -0.32 6.23 -1.24 -0.42 -2.49 115.58 118.62 1rjd h ASN 250 Ca 0.17 -0.47 -0.05 0.00 0.71 0.00 0.00 56.30 56.66 1rjd h ASN 250 Cb 0.52 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1rjd h ASN 250 CO 0.03 0.76 0.05 -0.07 -1.29 0.00 0.00 177.43 176.91 1rjd h LEU 251 N -0.02 0.58 -0.13 0.34 3.38 -1.22 -1.23 115.31 117.02 1rjd h LEU 251 Ca 0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1rjd h LEU 251 Cb 0.65 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rjd h LEU 251 CO 0.03 0.61 -0.10 0.50 0.09 0.00 0.00 178.44 179.58 1rjd h LYS 252 N 0.60 0.29 -0.01 1.13 1.63 -1.39 -1.95 116.57 116.85 1rjd h LYS 252 Ca 0.13 -0.14 -0.21 0.00 -0.85 0.00 0.00 60.65 59.58 1rjd h LYS 252 Cb 0.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1rjd h LYS 252 CO 0.00 0.67 -0.89 0.93 -3.45 0.00 0.00 179.45 176.71 1rjd h GLU 253 N -0.09 0.38 0.03 1.90 5.08 -1.36 -2.20 114.58 118.32 1rjd h GLU 253 Ca 0.02 -0.39 -0.31 0.00 -1.00 0.00 0.00 59.36 57.69 1rjd h GLU 253 Cb 0.60 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1rjd h GLU 253 CO 0.03 1.06 -1.76 0.66 -1.00 0.00 0.00 179.01 177.99 1rjd h SER 254 N 0.22 0.10 0.00 1.42 4.64 -1.32 -3.42 113.55 115.19 1rjd h SER 254 Ca -0.06 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1rjd h SER 254 Cb 1.52 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1rjd h SER 254 CO 0.15 1.21 0.00 -2.11 -0.87 0.00 0.00 176.83 175.21 1rjd n ARG 255 N -3.16 0.74 -3.46 4.77 0.00 -0.85 -5.04 116.66 109.67 1rjd n ARG 255 Ca -0.20 -0.07 -0.20 0.00 -0.00 0.00 0.00 57.85 57.38 1rjd n ARG 255 Cb 1.05 -0.41 0.08 0.00 -0.00 0.00 0.00 32.46 33.18 1rjd n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rjd n ASN 256 N -0.13 -4.25 -4.28 2.89 4.05 -0.79 -4.99 115.26 107.77 1rjd n ASN 256 Ca 0.00 -0.55 -0.28 0.00 0.45 0.00 0.00 54.58 54.20 1rjd n ASN 256 Cb 0.10 -4.84 -0.15 0.00 1.23 0.00 0.00 39.78 36.11 1rjd n ASN 256 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1rjd s LEU 257 N -6.59 2.12 -0.02 1.20 2.96 -0.87 -4.96 118.68 112.51 1rjd s LEU 257 Ca 0.30 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1rjd s LEU 257 Cb -0.13 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1rjd s LEU 257 CO 0.69 0.24 -0.21 -1.61 -1.32 0.00 0.00 176.35 174.14 1rjd s GLU 258 N -0.93 1.79 -0.63 1.98 2.02 -1.26 -3.20 118.70 118.47 1rjd s GLU 258 Ca 0.09 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.34 1rjd s GLU 258 Cb -0.09 -1.68 0.16 0.00 0.10 0.00 0.00 34.13 32.61 1rjd s GLU 258 CO 0.01 0.42 0.42 -1.64 0.02 0.00 0.00 175.26 174.49 1rjd s MET 259 N -0.41 2.40 0.50 1.61 -1.94 -1.26 -4.58 119.30 115.63 1rjd s MET 259 Ca 0.06 -2.78 0.15 0.00 -1.71 0.00 0.00 55.69 51.41 1rjd s MET 259 Cb -0.09 -3.55 1.20 0.00 2.01 0.00 0.00 34.83 34.40 1rjd s MET 259 CO -0.00 -1.18 2.12 -1.35 -0.01 0.00 0.00 175.02 174.60 1rjd h PRO 260 N 6.46 0.11 -0.34 2.03 0.11 -1.79 -3.04 132.00 135.53 1rjd h PRO 260 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rjd h PRO 260 Cb 0.88 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1rjd h PRO 260 CO 0.72 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 178.83 1rjd n THR 261 N -4.52 1.07 -0.29 -1.15 -2.24 -1.26 -4.70 114.28 101.20 1rjd n THR 261 Ca -0.01 -1.05 -0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1rjd n THR 261 Cb 0.12 0.46 0.19 0.00 -2.10 0.00 0.00 70.33 69.00 1rjd n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rjd h LEU 262 N 2.02 0.98 0.00 3.22 5.85 -1.84 0.16 115.31 125.71 1rjd h LEU 262 Ca 0.00 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 1rjd h LEU 262 Cb 0.77 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1rjd h LEU 262 CO 0.01 0.71 -1.13 0.24 -0.34 0.00 0.00 178.44 177.93 1rjd h MET 263 N 1.16 0.00 -0.05 1.25 2.86 -1.84 -1.51 114.93 116.80 1rjd h MET 263 Ca 0.32 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1rjd h MET 263 Cb -0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1rjd h MET 263 CO -0.07 0.67 0.03 1.15 1.06 0.00 0.00 176.91 179.74 1rjd h THR 264 N 0.00 1.08 -2.97 2.22 2.02 -1.74 -3.30 112.91 110.22 1rjd h THR 264 Ca -0.10 -0.24 -0.76 0.00 0.77 0.00 0.00 66.41 66.08 1rjd h THR 264 Cb 1.72 1.15 -0.31 0.00 -1.74 0.00 0.00 68.15 68.98 1rjd h THR 264 CO 0.09 0.07 0.40 -1.22 0.37 0.00 0.00 175.52 175.23 1rjd n TYR 265 N -5.01 3.26 1.16 3.16 4.02 0.00 -4.81 117.16 118.95 1rjd n TYR 265 Ca -0.06 -3.26 0.12 0.00 -0.01 0.00 0.00 57.90 54.69 1rjd n TYR 265 Cb 0.07 -1.21 0.23 0.00 -0.02 0.00 0.00 39.34 38.41 1rjd n TYR 265 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rjd n ASN 266 N 1.61 2.14 -4.23 7.72 6.94 -1.24 -3.92 115.26 124.28 1rjd n ASN 266 Ca 0.26 -1.62 -0.13 0.00 -0.02 0.00 0.00 54.58 53.06 1rjd n ASN 266 Cb 0.36 0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 1rjd n ASN 266 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1rjd s SER 267 N -2.17 1.42 0.36 0.53 1.04 -1.26 -1.38 113.70 112.25 1rjd s SER 267 Ca 0.28 -1.09 0.08 0.00 0.48 0.00 0.00 55.95 55.70 1rjd s SER 267 Cb 0.20 0.06 0.70 0.00 0.10 0.00 0.00 66.02 67.09 1rjd s SER 267 CO 0.40 -0.47 1.89 0.07 0.98 0.00 0.00 173.24 176.10 1rjd h LYS 268 N 2.77 0.32 -0.23 4.02 2.10 -1.95 -1.87 116.57 121.74 1rjd h LYS 268 Ca -0.36 -0.08 -0.09 0.00 -2.00 0.00 0.00 60.65 58.12 1rjd h LYS 268 Cb 1.19 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1rjd h LYS 268 CO 0.64 0.45 -0.21 0.93 -2.00 0.00 0.00 179.45 179.25 1rjd h GLU 269 N 0.30 0.54 -0.35 0.07 3.07 -1.96 -1.22 114.58 115.05 1rjd h GLU 269 Ca 0.06 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.62 1rjd h GLU 269 Cb 0.40 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1rjd h GLU 269 CO 0.02 0.87 0.15 0.87 -1.40 0.00 0.00 179.01 179.52 1rjd h LYS 270 N 0.24 0.52 -0.41 2.33 1.57 -1.92 -2.13 116.57 116.76 1rjd h LYS 270 Ca 0.04 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1rjd h LYS 270 Cb 0.76 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 1rjd h LYS 270 CO 0.05 0.49 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.43 1rjd h TYR 271 N 0.42 -0.16 0.00 -1.35 3.20 -1.27 -2.31 116.97 115.50 1rjd h TYR 271 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1rjd h TYR 271 Cb 0.16 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1rjd h TYR 271 CO -0.01 -0.15 -0.16 0.00 -1.64 0.00 0.00 178.16 176.20 1rjd h ALA 272 N 1.39 1.70 -0.05 1.82 0.00 -1.00 -2.82 119.26 120.30 1rjd h ALA 272 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rjd h ALA 272 Cb 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rjd h ALA 272 CO -0.40 0.21 0.10 0.66 0.00 0.00 0.00 179.25 179.82 1rjd h SER 273 N 0.00 0.00 -0.01 0.00 4.64 -0.79 -1.48 113.55 115.91 1rjd h SER 273 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rjd h SER 273 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1rjd h SER 273 CO 0.02 0.00 0.01 0.03 -0.87 0.00 0.00 176.83 176.02 1rjd h ARG 274 N 0.00 0.00 -0.55 4.77 3.08 -1.59 -1.82 114.38 118.28 1rjd h ARG 274 Ca 0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1rjd h ARG 274 Cb 0.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.17 1rjd h ARG 274 CO -0.00 0.00 0.14 0.91 -1.07 0.00 0.00 179.97 179.95 1rjd n TRP 275 N -3.60 1.82 0.23 3.04 8.01 -0.56 -4.73 117.44 121.66 1rjd n TRP 275 Ca -0.03 -1.20 0.11 0.00 -1.31 0.00 0.00 57.50 55.07 1rjd n TRP 275 Cb 0.09 -0.56 0.54 0.00 -2.01 0.00 0.00 31.31 29.37 1rjd n TRP 275 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1rjd n SER 276 N -0.44 0.57 0.23 -0.99 3.41 -0.69 -0.89 113.62 114.82 1rjd n SER 276 Ca 0.35 0.72 0.10 0.00 -0.26 0.00 0.00 58.87 59.78 1rjd n SER 276 Cb 1.20 -0.81 0.50 0.00 -0.26 0.00 0.00 64.21 64.84 1rjd n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjd h ALA 277 N 2.08 1.06 -2.72 7.33 0.00 -1.85 -3.43 119.26 121.74 1rjd h ALA 277 Ca 0.00 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 1rjd h ALA 277 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rjd h ALA 277 CO 0.00 0.26 0.38 0.00 0.00 0.00 0.00 179.25 179.90 1rjd s ALA 278 N -3.73 3.33 -0.24 0.00 0.00 -0.07 -4.97 121.76 116.08 1rjd s ALA 278 Ca 0.00 0.67 0.28 0.00 0.00 0.00 0.00 51.96 52.91 1rjd s ALA 278 Cb 0.11 -3.25 0.97 0.00 0.00 0.00 0.00 23.12 20.94 1rjd s ALA 278 CO 0.63 0.08 1.81 -1.00 0.00 0.00 0.00 175.76 177.28 1rjd h PRO 279 N 4.46 0.00 -3.71 0.00 0.13 -1.83 -3.41 132.00 127.64 1rjd h PRO 279 Ca -0.45 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1rjd h PRO 279 Cb 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1rjd h PRO 279 CO 0.69 0.00 -0.74 1.21 -0.23 0.00 0.00 178.00 178.93 1rjd s ASN 280 N -5.42 4.15 -0.14 1.44 2.47 -1.12 -5.05 114.94 111.29 1rjd s ASN 280 Ca 0.04 -2.04 0.01 0.00 0.42 0.00 0.00 52.86 51.30 1rjd s ASN 280 Cb 0.08 -1.13 0.02 0.00 -1.45 0.00 0.00 41.25 38.77 1rjd s ASN 280 CO 0.55 -0.37 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.71 1rjd s VAL 281 N 1.09 1.67 -0.04 -5.21 1.01 -1.26 -0.43 120.40 117.22 1rjd s VAL 281 Ca 0.12 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1rjd s VAL 281 Cb -0.20 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1rjd s VAL 281 CO -0.14 0.47 -0.22 -0.63 0.00 0.00 0.00 175.10 174.58 1rjd s ILE 282 N 1.19 2.37 -0.03 2.22 1.01 -0.25 -5.01 121.20 122.70 1rjd s ILE 282 Ca -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1rjd s ILE 282 Cb -0.14 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1rjd s ILE 282 CO -0.06 0.58 0.07 0.54 0.00 0.00 0.00 174.94 176.07 1rjd s VAL 283 N -0.50 -0.01 0.02 2.92 0.11 -1.26 -0.51 120.40 121.16 1rjd s VAL 283 Ca 0.06 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1rjd s VAL 283 Cb -0.11 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1rjd s VAL 283 CO 0.01 0.02 -0.03 0.20 -3.33 0.00 0.00 175.10 171.96 1rjd s ASN 284 N 0.26 0.26 0.76 3.54 0.01 -0.83 -5.02 114.94 113.92 1rjd s ASN 284 Ca -0.02 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.56 1rjd s ASN 284 Cb -0.03 0.09 0.05 0.00 0.41 0.00 0.00 41.25 41.76 1rjd s ASN 284 CO -0.01 -0.26 1.12 1.51 -1.51 0.00 0.00 177.10 177.94 1rjd s ASP 285 N -1.32 4.93 0.36 -1.22 3.84 -1.26 -0.79 116.67 121.21 1rjd s ASP 285 Ca -0.14 1.09 0.26 0.00 -0.00 0.00 0.00 52.55 53.76 1rjd s ASP 285 Cb -0.09 -1.80 0.79 0.00 -1.38 0.00 0.00 42.92 40.44 1rjd s ASP 285 CO -0.01 -1.67 1.75 0.24 -0.00 0.00 0.00 175.17 175.49 1rjd h MET 286 N -0.88 0.00 -0.39 2.11 2.86 -0.56 -2.07 114.93 116.00 1rjd h MET 286 Ca -0.46 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.08 1rjd h MET 286 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1rjd h MET 286 CO 0.63 0.00 -0.13 2.35 1.06 0.00 0.00 176.91 180.82 1rjd h TRP 287 N 0.00 0.88 -0.71 -0.22 2.91 -1.84 -0.74 115.95 116.23 1rjd h TRP 287 Ca 0.00 -0.20 0.02 0.00 1.13 0.00 0.00 58.89 59.83 1rjd h TRP 287 Cb 0.72 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1rjd h TRP 287 CO 0.00 0.93 0.46 0.93 -1.03 0.00 0.00 178.44 179.73 1rjd h GLU 288 N 0.58 0.90 -0.70 2.65 5.08 -1.79 -1.96 114.58 119.33 1rjd h GLU 288 Ca 0.09 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1rjd h GLU 288 Cb 0.67 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1rjd h GLU 288 CO 0.05 0.60 0.17 0.82 -1.00 0.00 0.00 179.01 179.64 1rjd h ILE 289 N 0.93 1.26 -0.43 3.13 2.04 -1.24 -0.90 117.51 122.29 1rjd h ILE 289 Ca 0.27 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1rjd h ILE 289 Cb -0.07 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1rjd h ILE 289 CO -0.07 0.37 0.07 0.15 0.00 0.00 0.00 178.15 178.67 1rjd h PHE 290 N 1.06 0.11 0.00 1.37 3.57 -0.73 -0.09 116.94 122.23 1rjd h PHE 290 Ca 0.22 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 1rjd h PHE 290 Cb 0.37 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1rjd h PHE 290 CO 0.03 -0.01 -0.58 -0.91 -2.23 0.00 0.00 178.31 174.60 1rjd h ASN 291 N 0.19 0.00 0.32 0.41 2.35 -1.01 -2.80 115.58 115.05 1rjd h ASN 291 Ca 0.21 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.64 1rjd h ASN 291 Cb 0.27 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 1rjd h ASN 291 CO -0.29 0.58 -1.90 0.00 -1.65 0.00 0.00 177.43 174.17 1rjd n ALA 292 N -2.36 1.38 0.03 -0.83 0.00 -0.37 -4.62 120.51 113.72 1rjd n ALA 292 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 53.44 52.63 1rjd n ALA 292 Cb 0.63 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 1rjd n ALA 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rjd n GLN 293 N -3.09 0.69 -3.28 0.00 6.02 -0.07 -4.91 117.38 112.74 1rjd n GLN 293 Ca -0.23 -0.05 -0.44 0.00 -0.01 0.00 0.00 57.00 56.27 1rjd n GLN 293 Cb 1.07 -1.10 -0.07 0.00 1.02 0.00 0.00 30.24 31.16 1rjd n GLN 293 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rjd s ILE 294 N -2.31 5.07 0.89 5.09 -1.09 -1.06 -5.04 121.20 122.75 1rjd s ILE 294 Ca -0.02 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.44 1rjd s ILE 294 Cb 0.04 -4.22 0.13 0.00 -1.58 0.00 0.00 42.46 36.83 1rjd s ILE 294 CO 0.24 -0.70 1.11 -2.16 -1.23 0.00 0.00 174.94 172.20 1rjd s PRO 295 N 2.08 1.30 0.41 2.79 0.04 -1.26 -4.78 135.00 135.58 1rjd s PRO 295 Ca 0.09 0.52 0.09 0.00 0.04 0.00 0.00 61.00 61.73 1rjd s PRO 295 Cb -0.22 -1.84 0.85 0.00 0.04 0.00 0.00 34.50 33.33 1rjd s PRO 295 CO 0.09 -2.14 2.00 1.49 0.04 0.00 0.00 177.00 178.48 1rjd h GLU 296 N -1.46 0.38 -0.83 4.56 4.57 -1.99 -1.52 114.58 118.28 1rjd h GLU 296 Ca -0.50 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 57.70 1rjd h GLU 296 Cb 1.31 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 1rjd h GLU 296 CO 0.59 0.34 0.50 0.66 -1.18 0.00 0.00 179.01 179.93 1rjd h SER 297 N 0.38 0.76 -0.27 1.04 4.64 -1.99 -0.65 113.55 117.45 1rjd h SER 297 Ca 0.09 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1rjd h SER 297 Cb 0.13 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rjd h SER 297 CO -0.01 0.47 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.82 1rjd h GLU 298 N 0.89 0.67 -0.94 4.77 4.39 -1.65 -2.05 114.58 120.65 1rjd h GLU 298 Ca 0.38 -0.35 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1rjd h GLU 298 Cb 0.23 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1rjd h GLU 298 CO -0.20 0.96 0.60 0.00 -1.16 0.00 0.00 179.01 179.22 1rjd h ARG 299 N 0.40 1.08 -0.21 2.33 3.08 -0.87 -0.21 114.38 119.98 1rjd h ARG 299 Ca 0.04 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1rjd h ARG 299 Cb 0.84 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1rjd h ARG 299 CO 0.07 0.72 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.42 1rjd h LYS 300 N 1.11 0.40 -0.19 0.04 3.64 -1.15 -0.60 116.57 119.83 1rjd h LYS 300 Ca 0.40 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1rjd h LYS 300 Cb 0.13 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1rjd h LYS 300 CO -0.16 0.64 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.55 1rjd h ARG 301 N 0.13 0.04 -0.77 1.90 2.43 -0.97 -1.04 114.38 116.10 1rjd h ARG 301 Ca 0.05 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1rjd h ARG 301 Cb 0.49 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1rjd h ARG 301 CO 0.02 0.03 0.31 -0.07 -1.51 0.00 0.00 179.97 178.74 1rjd h LEU 302 N 0.04 1.07 -1.56 3.80 3.38 -0.94 -2.09 115.31 119.00 1rjd h LEU 302 Ca 0.09 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1rjd h LEU 302 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1rjd h LEU 302 CO -0.16 0.95 0.37 0.03 0.09 0.00 0.00 178.44 179.72 1rjd h ARG 303 N 1.12 0.53 0.00 1.13 3.08 -0.58 -1.36 114.38 118.29 1rjd h ARG 303 Ca 0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1rjd h ARG 303 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1rjd h ARG 303 CO -0.02 0.35 -0.05 0.66 -1.07 0.00 0.00 179.97 179.84 1rjd h SER 304 N 0.55 0.00 0.08 7.04 4.64 -0.51 -3.29 113.55 122.05 1rjd h SER 304 Ca 0.24 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.18 1rjd h SER 304 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 1rjd h SER 304 CO -0.07 0.05 -2.18 0.18 -0.87 0.00 0.00 176.83 173.94 1rjd n LEU 305 N -3.16 2.76 -3.15 5.97 4.77 -0.58 -4.94 117.00 118.67 1rjd n LEU 305 Ca 0.01 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1rjd n LEU 305 Cb 0.35 -1.04 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 1rjd n LEU 305 CO 0.29 0.88 0.39 -1.58 -1.33 0.00 0.00 177.39 176.04 1rjd s GLN 306 N -2.54 0.36 0.14 3.23 0.74 -0.81 -5.02 119.66 115.77 1rjd s GLN 306 Ca -0.27 0.64 -0.31 0.00 0.05 0.00 0.00 55.36 55.47 1rjd s GLN 306 Cb 0.08 0.35 -0.08 0.00 1.10 0.00 0.00 33.01 34.46 1rjd s GLN 306 CO 0.70 -0.40 1.38 0.12 -0.55 0.00 0.00 175.29 176.54 1rjd s PHE 307 N 2.91 3.23 -0.55 1.67 5.36 -1.25 -4.56 117.98 124.79 1rjd s PHE 307 Ca 0.09 1.00 -0.22 0.00 -0.96 0.00 0.00 56.93 56.85 1rjd s PHE 307 Cb -0.12 -3.68 0.06 0.00 -0.34 0.00 0.00 43.02 38.93 1rjd s PHE 307 CO -0.16 -2.33 0.82 -1.17 -1.46 0.00 0.00 175.22 170.92 1rjd s LEU 308 N 0.73 4.53 0.36 6.12 2.96 -1.26 -4.91 118.68 127.21 1rjd s LEU 308 Ca 0.63 -0.71 0.19 0.00 -0.22 0.00 0.00 54.13 54.02 1rjd s LEU 308 Cb -0.37 -2.60 0.41 0.00 0.50 0.00 0.00 46.19 44.12 1rjd s LEU 308 CO 0.33 -1.13 1.60 0.44 -1.32 0.00 0.00 176.35 176.27 1rjd h ASP 309 N 9.23 0.00 -2.45 3.68 3.32 -1.99 -3.40 116.42 124.81 1rjd h ASP 309 Ca -0.27 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.18 1rjd h ASP 309 Cb 1.08 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.23 1rjd h ASP 309 CO 1.06 0.34 -0.78 -0.62 -1.72 0.00 0.00 179.24 177.51 1rjd n GLU 310 N -3.27 1.42 -0.18 3.56 -0.58 -1.26 -4.94 120.64 115.39 1rjd n GLU 310 Ca 0.02 -3.98 -0.09 0.00 -0.42 0.00 0.00 57.16 52.68 1rjd n GLU 310 Cb 0.60 -1.92 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 1rjd n GLU 310 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rjd h LEU 311 N 4.82 0.88 -1.27 -4.62 5.85 -2.00 -2.22 115.31 116.74 1rjd h LEU 311 Ca 0.17 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1rjd h LEU 311 Cb 0.79 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1rjd h LEU 311 CO 0.62 0.95 0.50 -0.08 -0.34 0.00 0.00 178.44 180.09 1rjd h GLU 312 N 0.78 0.96 -0.81 1.25 4.57 -1.98 0.13 114.58 119.47 1rjd h GLU 312 Ca 0.15 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1rjd h GLU 312 Cb 0.48 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1rjd h GLU 312 CO 0.02 0.63 0.37 0.93 -1.18 0.00 0.00 179.01 179.78 1rjd h GLU 313 N 0.99 1.19 -0.18 1.92 5.08 -1.84 -0.40 114.58 121.35 1rjd h GLU 313 Ca 0.28 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1rjd h GLU 313 Cb -0.07 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1rjd h GLU 313 CO -0.07 0.93 0.08 1.25 -1.00 0.00 0.00 179.01 180.20 1rjd h LEU 314 N 1.17 0.23 -0.17 1.33 5.85 -0.78 -2.08 115.31 120.86 1rjd h LEU 314 Ca 0.28 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1rjd h LEU 314 Cb 0.16 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1rjd h LEU 314 CO -0.03 0.30 -0.07 0.50 -0.34 0.00 0.00 178.44 178.81 1rjd h LYS 315 N 0.15 -0.04 -0.41 1.25 3.64 -0.53 -0.51 116.57 120.11 1rjd h LYS 315 Ca 0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1rjd h LYS 315 Cb 0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1rjd h LYS 315 CO -0.01 -0.03 0.15 0.28 -2.27 0.00 0.00 179.45 177.58 1rjd h VAL 316 N -0.04 1.16 -0.00 2.00 2.07 -0.99 -0.70 116.25 119.75 1rjd h VAL 316 Ca 0.09 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1rjd h VAL 316 Cb 0.18 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1rjd h VAL 316 CO -0.20 0.20 0.00 -0.03 0.02 0.00 0.00 177.57 177.56 1rjd h MET 317 N 0.58 0.00 0.00 1.57 1.85 -0.90 -3.32 114.93 114.72 1rjd h MET 317 Ca 0.14 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.23 1rjd h MET 317 Cb 0.14 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.17 1rjd h MET 317 CO -0.01 0.30 0.00 1.96 -0.40 0.00 0.00 176.91 178.76 1rjd h GLN 318 N -0.30 0.00 0.00 0.39 1.08 -0.51 -0.29 115.11 115.48 1rjd h GLN 318 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rjd h GLN 318 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1rjd h GLN 318 CO 0.00 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.13 1rjd n THR 319 N -2.75 0.68 -0.42 -0.54 -2.24 -0.33 -2.05 114.28 106.64 1rjd n THR 319 Ca 0.02 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1rjd n THR 319 Cb 0.34 -0.86 0.30 0.00 -2.10 0.00 0.00 70.33 68.01 1rjd n THR 319 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rjd n HIS 320 N -1.46 1.01 -4.84 4.78 8.25 -0.12 -4.88 115.22 117.96 1rjd n HIS 320 Ca 0.05 -0.54 -0.25 0.00 -0.26 0.00 0.00 57.72 56.72 1rjd n HIS 320 Cb 0.20 -0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.08 1rjd n HIS 320 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rjd s TYR 321 N -1.27 1.66 0.12 4.41 1.51 -1.07 -0.22 117.35 122.49 1rjd s TYR 321 Ca 0.45 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 56.24 1rjd s TYR 321 Cb 0.25 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 1rjd s TYR 321 CO 0.27 -0.01 -0.14 0.96 -1.11 0.00 0.00 175.55 175.52 1rjd s ILE 322 N -0.50 1.36 -0.20 2.71 -5.25 -0.33 -1.21 121.20 117.79 1rjd s ILE 322 Ca 0.07 -1.71 0.01 0.00 -0.99 0.00 0.00 60.65 58.03 1rjd s ILE 322 Cb -0.07 -1.54 0.03 0.00 2.95 0.00 0.00 42.46 43.83 1rjd s ILE 322 CO -0.00 -0.40 -0.15 -0.22 -1.79 0.00 0.00 174.94 172.38 1rjd s LEU 323 N -2.43 2.36 -0.15 0.37 2.96 0.03 -2.85 118.68 118.97 1rjd s LEU 323 Ca 0.09 -0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1rjd s LEU 323 Cb -0.05 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1rjd s LEU 323 CO 0.03 -0.08 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.58 1rjd s MET 324 N 1.31 3.52 -0.25 1.98 -2.45 0.07 -1.97 119.30 121.51 1rjd s MET 324 Ca 0.01 -0.61 0.03 0.00 -1.25 0.00 0.00 55.69 53.87 1rjd s MET 324 Cb -0.15 -2.78 0.05 0.00 1.25 0.00 0.00 34.83 33.20 1rjd s MET 324 CO -0.10 0.21 -0.12 0.15 1.05 0.00 0.00 175.02 176.21 1rjd s LYS 325 N 0.40 2.35 -0.16 4.11 1.02 0.33 -0.80 119.74 127.00 1rjd s LYS 325 Ca -0.07 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 54.61 1rjd s LYS 325 Cb -0.15 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1rjd s LYS 325 CO 0.04 -0.52 -0.05 0.00 -0.92 0.00 0.00 175.35 173.90 1rjd s ALA 326 N 1.13 2.92 0.01 5.17 0.00 -0.13 -1.09 121.76 129.78 1rjd s ALA 326 Ca -0.07 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1rjd s ALA 326 Cb -0.19 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1rjd s ALA 326 CO -0.06 0.14 -0.23 -0.65 0.00 0.00 0.00 175.76 174.96 1rjd s GLN 327 N 0.51 1.71 0.04 0.00 -0.21 0.43 -0.16 119.66 121.98 1rjd s GLN 327 Ca -0.04 -0.92 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 1rjd s GLN 327 Cb -0.15 -1.75 0.01 0.00 1.00 0.00 0.00 33.01 32.12 1rjd s GLN 327 CO 0.03 0.46 0.22 1.67 -2.12 0.00 0.00 175.29 175.56 1rjd s TRP 328 N -0.67 0.02 -0.27 0.91 -2.14 -0.83 -2.77 118.94 113.18 1rjd s TRP 328 Ca 0.09 -0.23 -0.00 0.00 2.66 0.00 0.00 56.10 58.62 1rjd s TRP 328 Cb -0.09 0.00 0.14 0.00 -3.10 0.00 0.00 33.47 30.42 1rjd s TRP 328 CO 0.01 -0.45 0.35 -1.58 -2.66 0.00 0.00 176.95 172.61 1rjd s HIS 329 N -2.64 -0.75 -2.00 1.66 2.46 -1.25 -1.12 115.29 111.65 1rjd s HIS 329 Ca -0.04 0.26 0.10 0.00 0.47 0.00 0.00 55.06 55.85 1rjd s HIS 329 Cb -0.01 -0.23 0.57 0.00 -0.13 0.00 0.00 32.58 32.78 1rjd s HIS 329 CO -0.04 -0.88 1.02 0.72 -2.47 0.00 0.00 174.74 173.08