#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmx s SER 2 N 0.00 3.48 -0.11 1.61 0.15 -1.26 -5.08 113.70 112.49 2rmx s SER 2 Ca 0.00 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 2rmx s SER 2 Cb 0.00 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 2rmx s SER 2 CO 0.00 -2.47 -0.02 -0.44 1.20 0.00 0.00 173.24 171.51 2rmx s SER 3 N -4.85 5.01 -0.41 5.45 0.01 -1.26 -5.02 113.70 112.63 2rmx s SER 3 Ca 0.72 0.01 0.04 0.00 1.31 0.00 0.00 55.95 58.03 2rmx s SER 3 Cb -0.04 -1.57 0.29 0.00 0.21 0.00 0.00 66.02 64.91 2rmx s SER 3 CO 0.50 0.29 1.15 0.61 0.41 0.00 0.00 173.24 176.20 2rmx n GLY 4 N 2.76 -0.50 3.60 3.44 0.00 -1.26 -5.16 105.19 108.08 2rmx n GLY 4 Ca -0.18 0.44 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 2rmx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rmx s SER 5 N -0.93 4.09 -0.35 1.61 1.04 -1.26 -5.00 113.70 112.90 2rmx s SER 5 Ca 0.25 -1.00 0.06 0.00 0.48 0.00 0.00 55.95 55.74 2rmx s SER 5 Cb 0.26 -0.51 0.46 0.00 0.10 0.00 0.00 66.02 66.33 2rmx s SER 5 CO -0.14 -0.19 1.33 -1.20 0.98 0.00 0.00 173.24 174.02 2rmx n SER 6 N -0.89 5.38 0.00 7.02 7.64 -1.26 -5.05 113.62 126.46 2rmx n SER 6 Ca -0.05 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.08 2rmx n SER 6 Cb 0.62 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2rmx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 7 N -0.74 0.83 0.73 0.23 0.00 -1.26 -0.94 105.19 104.04 2rmx n GLY 7 Ca 0.47 0.52 0.03 0.00 0.00 0.00 0.00 46.02 47.04 2rmx n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rmx n TRP 8 N 0.00 0.50 -3.60 1.61 -0.00 -1.26 -4.86 117.44 109.83 2rmx n TRP 8 Ca 0.00 -1.36 -0.38 0.00 -0.00 0.00 0.00 57.50 55.76 2rmx n TRP 8 Cb 0.00 -0.32 -0.11 0.00 -0.00 0.00 0.00 31.31 30.87 2rmx n TRP 8 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 177.69 177.22 2rmx s TYR 9 N -3.12 3.21 -0.26 -2.67 5.04 -0.11 -0.48 117.35 118.96 2rmx s TYR 9 Ca 0.40 0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 55.05 2rmx s TYR 9 Cb 0.36 -2.37 -0.14 0.00 0.35 0.00 0.00 41.96 40.17 2rmx s TYR 9 CO -0.01 -0.17 -0.28 0.72 -1.34 0.00 0.00 175.55 174.47 2rmx n HIS 10 N 5.03 0.00 0.00 4.97 8.25 -0.80 -4.64 115.22 128.03 2rmx n HIS 10 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2rmx n HIS 10 Cb 0.52 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.68 2rmx n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rmx n GLY 11 N 1.82 1.35 3.56 -1.41 0.00 -1.26 -4.86 105.19 104.38 2rmx n GLY 11 Ca -0.48 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 2rmx n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rmx s HIS 12 N 0.00 1.17 -0.25 1.61 3.76 -1.26 -2.28 115.29 118.03 2rmx s HIS 12 Ca 0.00 1.36 -0.13 0.00 -0.15 0.00 0.00 55.06 56.14 2rmx s HIS 12 Cb 0.00 -3.69 0.09 0.00 1.11 0.00 0.00 32.58 30.09 2rmx s HIS 12 CO 0.00 -2.66 0.60 1.41 -0.85 0.00 0.00 174.74 173.24 2rmx s MET 13 N 7.88 0.59 0.33 1.40 0.00 -1.26 -5.04 119.30 123.19 2rmx s MET 13 Ca 0.94 1.16 -0.17 0.00 0.00 0.00 0.00 55.69 57.62 2rmx s MET 13 Cb -0.18 0.26 -0.09 0.00 0.00 0.00 0.00 34.83 34.82 2rmx s MET 13 CO 0.26 -0.17 0.79 -1.54 0.00 0.00 0.00 175.02 174.36 2rmx s SER 14 N 1.91 6.87 0.14 1.11 1.04 -1.26 -4.88 113.70 118.62 2rmx s SER 14 Ca -0.08 1.41 -0.32 0.00 0.48 0.00 0.00 55.95 57.43 2rmx s SER 14 Cb -0.08 -2.42 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 2rmx s SER 14 CO -0.18 -0.20 1.54 1.23 0.98 0.00 0.00 173.24 176.61 2rmx h GLY 15 N 2.37 -0.99 -0.46 7.32 0.00 -2.01 0.32 103.07 109.62 2rmx h GLY 15 Ca -0.48 0.74 0.26 0.00 0.00 0.00 0.00 47.33 47.85 2rmx h GLY 15 CO 0.64 -0.09 0.33 -1.33 0.00 0.00 0.00 176.54 176.10 2rmx h GLY 16 N -0.30 1.57 0.46 4.60 0.00 -2.01 -1.99 103.07 105.39 2rmx h GLY 16 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2rmx h GLY 16 CO -0.67 -0.40 -0.28 -1.61 0.00 0.00 0.00 176.54 173.58 2rmx h GLN 17 N 0.25 -0.66 -0.84 4.80 5.75 -1.33 -2.93 115.11 120.15 2rmx h GLN 17 Ca 0.60 0.05 0.14 0.00 -0.15 0.00 0.00 58.65 59.29 2rmx h GLN 17 Cb 1.27 0.15 -0.14 0.00 1.07 0.00 0.00 27.48 29.82 2rmx h GLN 17 CO -0.64 -0.44 -0.29 0.00 -2.65 0.00 0.00 178.83 174.81 2rmx n ALA 18 N -2.45 -0.00 -0.22 3.38 0.00 -0.78 0.11 120.51 120.54 2rmx n ALA 18 Ca -0.08 0.87 0.03 0.00 0.00 0.00 0.00 53.44 54.25 2rmx n ALA 18 Cb 0.28 -0.44 0.12 0.00 0.00 0.00 0.00 19.45 19.42 2rmx n ALA 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rmx h GLU 19 N 0.00 0.12 0.98 0.00 5.08 -1.35 0.20 114.58 119.61 2rmx h GLU 19 Ca 0.33 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2rmx h GLU 19 Cb 0.54 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2rmx h GLU 19 CO -0.85 0.08 -0.47 1.15 -1.00 0.00 0.00 179.01 177.92 2rmx h THR 20 N 0.13 0.03 -0.61 1.13 2.02 0.93 0.14 112.91 116.68 2rmx h THR 20 Ca 0.36 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.65 2rmx h THR 20 Cb 0.59 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 66.94 2rmx h THR 20 CO -0.57 0.00 0.06 -0.07 0.37 0.00 0.00 175.52 175.31 2rmx h LEU 21 N -1.32 -0.16 0.39 2.58 4.07 -0.81 0.27 115.31 120.34 2rmx h LEU 21 Ca -0.13 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2rmx h LEU 21 Cb 1.01 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2rmx h LEU 21 CO 0.22 -0.07 -0.19 -0.07 -1.08 0.00 0.00 178.44 177.26 2rmx h LEU 22 N 0.17 -0.45 -0.54 1.67 3.38 -0.51 -2.73 115.31 116.30 2rmx h LEU 22 Ca 0.32 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.40 2rmx h LEU 22 Cb 0.51 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 2rmx h LEU 22 CO -0.47 -0.30 -0.33 1.56 0.09 0.00 0.00 178.44 178.99 2rmx h GLN 23 N -0.56 -0.17 -0.98 1.13 4.20 -0.51 0.18 115.11 118.39 2rmx h GLN 23 Ca -0.05 0.01 0.31 0.00 0.06 0.00 0.00 58.65 58.98 2rmx h GLN 23 Cb 0.41 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 28.07 2rmx h GLN 23 CO 0.09 -0.12 0.49 0.00 -0.67 0.00 0.00 178.83 178.63 2rmx h ALA 24 N 0.96 1.83 -0.73 3.87 0.00 -0.48 0.80 119.26 125.51 2rmx h ALA 24 Ca 0.22 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2rmx h ALA 24 Cb 0.54 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2rmx h ALA 24 CO -0.64 -0.59 0.36 -0.22 0.00 0.00 0.00 179.25 178.17 2rmx h LYS 25 N 0.27 1.02 -0.50 0.00 1.63 -0.33 -3.46 116.57 115.21 2rmx h LYS 25 Ca 0.71 -0.13 -0.21 0.00 -0.85 0.00 0.00 60.65 60.17 2rmx h LYS 25 Cb 1.61 -0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.96 2rmx h LYS 25 CO -0.64 0.78 -0.19 0.41 -3.45 0.00 0.00 179.45 176.35 2rmx n GLY 26 N -1.13 1.13 3.61 5.01 0.00 0.28 -4.97 105.19 109.11 2rmx n GLY 26 Ca 0.07 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2rmx n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rmx s GLU 27 N -2.71 3.98 0.36 1.61 2.02 -1.26 -5.01 118.70 117.68 2rmx s GLU 27 Ca 0.00 -0.31 -0.27 0.00 0.02 0.00 0.00 54.97 54.41 2rmx s GLU 27 Cb 0.00 -3.59 -0.09 0.00 0.10 0.00 0.00 34.13 30.55 2rmx s GLU 27 CO 0.00 -0.08 1.21 -1.25 0.02 0.00 0.00 175.26 175.15 2rmx s PRO 28 N 1.47 4.23 -0.90 0.39 0.04 -1.26 -3.29 135.00 135.68 2rmx s PRO 28 Ca 0.07 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2rmx s PRO 28 Cb -0.15 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2rmx s PRO 28 CO 0.08 -0.20 0.30 0.91 0.04 0.00 0.00 177.00 178.13 2rmx n TRP 29 N 0.48 -1.05 -3.20 0.56 5.03 0.73 -4.82 117.44 115.17 2rmx n TRP 29 Ca 0.02 0.26 -0.45 0.00 3.03 0.00 0.00 57.50 60.36 2rmx n TRP 29 Cb 0.45 -2.96 -0.04 0.00 -1.03 0.00 0.00 31.31 27.73 2rmx n TRP 29 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 2rmx s THR 30 N -2.86 5.08 0.61 -0.99 2.01 -1.21 -2.28 115.64 116.00 2rmx s THR 30 Ca 0.15 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 2rmx s THR 30 Cb -0.07 -4.46 0.03 0.00 0.01 0.00 0.00 72.50 68.01 2rmx s THR 30 CO 0.19 -1.05 0.90 0.72 -0.69 0.00 0.00 174.62 174.68 2rmx s PHE 31 N 1.88 3.07 -0.29 4.92 -0.71 -1.09 -2.05 117.98 123.71 2rmx s PHE 31 Ca 0.11 0.43 -0.19 0.00 -1.04 0.00 0.00 56.93 56.24 2rmx s PHE 31 Cb -0.22 -2.85 0.14 0.00 -1.21 0.00 0.00 43.02 38.87 2rmx s PHE 31 CO 0.01 -0.98 0.99 -0.48 -1.34 0.00 0.00 175.22 173.42 2rmx s LEU 32 N -5.00 -0.50 0.21 -1.99 0.05 0.12 -1.84 118.68 109.73 2rmx s LEU 32 Ca 0.56 0.84 -0.07 0.00 0.05 0.00 0.00 54.13 55.51 2rmx s LEU 32 Cb -0.11 1.79 -0.06 0.00 -2.05 0.00 0.00 46.19 45.76 2rmx s LEU 32 CO 0.43 -0.14 0.49 -0.69 -0.55 0.00 0.00 176.35 175.89 2rmx s VAL 33 N 1.02 5.03 -0.29 1.48 1.01 0.37 -2.17 120.40 126.86 2rmx s VAL 33 Ca -0.05 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 2rmx s VAL 33 Cb -0.04 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.84 2rmx s VAL 33 CO -0.13 -0.07 0.92 0.00 0.00 0.00 0.00 175.10 175.82 2rmx s ARG 34 N -2.89 0.43 0.74 2.72 1.70 -1.17 -1.91 118.95 118.57 2rmx s ARG 34 Ca 0.44 0.77 -0.17 0.00 -0.47 0.00 0.00 55.73 56.31 2rmx s ARG 34 Cb -0.11 0.14 -0.11 0.00 -0.57 0.00 0.00 34.95 34.29 2rmx s ARG 34 CO 0.24 -0.10 -0.13 -1.91 -1.08 0.00 0.00 175.30 172.32 2rmx n GLU 35 N 3.95 0.07 -3.56 3.89 0.00 -0.97 -2.96 120.64 121.07 2rmx n GLU 35 Ca -0.18 0.04 -0.32 0.00 0.00 0.00 0.00 57.16 56.70 2rmx n GLU 35 Cb 0.57 -1.27 -0.05 0.00 0.00 0.00 0.00 31.44 30.69 2rmx n GLU 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2rmx s SER 36 N -1.18 6.58 -0.15 4.31 0.15 -0.78 -4.66 113.70 117.95 2rmx s SER 36 Ca 0.54 0.76 -0.14 0.00 0.70 0.00 0.00 55.95 57.81 2rmx s SER 36 Cb -0.34 -2.16 -0.06 0.00 -1.71 0.00 0.00 66.02 61.75 2rmx s SER 36 CO 0.69 0.03 -0.29 0.18 1.20 0.00 0.00 173.24 175.06 2rmx n LEU 37 N 0.19 1.75 -0.20 3.45 4.77 -1.26 -4.70 117.00 121.00 2rmx n LEU 37 Ca -0.03 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2rmx n LEU 37 Cb 0.52 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2rmx n LEU 37 CO 0.46 -0.16 0.49 0.28 -1.33 0.00 0.00 177.39 177.13 2rmx h SER 38 N -0.82 -1.64 -3.28 -1.43 0.02 -1.97 -3.38 113.55 101.06 2rmx h SER 38 Ca -0.14 0.23 -0.62 0.00 -0.84 0.00 0.00 61.79 60.42 2rmx h SER 38 Cb 0.98 0.69 -0.16 0.00 0.14 0.00 0.00 62.40 64.05 2rmx h SER 38 CO -0.08 -0.28 -0.58 -1.58 -1.14 0.00 0.00 176.83 173.17 2rmx s GLN 39 N -5.15 3.91 0.30 3.45 0.74 -1.26 -5.09 119.66 116.57 2rmx s GLN 39 Ca -0.11 -0.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 2rmx s GLN 39 Cb 0.08 -3.17 -0.10 0.00 1.10 0.00 0.00 33.01 30.92 2rmx s GLN 39 CO 0.51 0.29 1.23 -1.25 -0.55 0.00 0.00 175.29 175.52 2rmx s PRO 40 N 0.31 4.46 0.00 1.67 0.04 -1.26 -3.25 135.00 136.97 2rmx s PRO 40 Ca 0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2rmx s PRO 40 Cb -0.13 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2rmx s PRO 40 CO 0.01 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2rmx n GLY 41 N 1.05 1.45 3.72 0.56 0.00 -1.26 -4.97 105.19 105.73 2rmx n GLY 41 Ca -0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2rmx n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rmx s ASP 42 N 0.02 4.08 0.51 1.61 -1.08 -1.20 -4.87 116.67 115.74 2rmx s ASP 42 Ca 0.00 2.25 0.02 0.00 -0.52 0.00 0.00 52.55 54.30 2rmx s ASP 42 Cb 0.00 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 2rmx s ASP 42 CO 0.00 -2.34 0.07 -0.36 0.52 0.00 0.00 175.17 173.06 2rmx s PHE 43 N -2.22 1.86 -0.08 -5.34 0.40 -0.88 -1.87 117.98 109.84 2rmx s PHE 43 Ca 0.71 -0.92 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2rmx s PHE 43 Cb -0.26 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2rmx s PHE 43 CO 0.48 0.12 0.22 0.08 0.70 0.00 0.00 175.22 176.82 2rmx s VAL 44 N -2.85 -0.00 -0.29 -0.44 1.01 -1.15 -0.41 120.40 116.26 2rmx s VAL 44 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2rmx s VAL 44 Cb 0.01 -0.31 0.05 0.00 0.00 0.00 0.00 36.38 36.14 2rmx s VAL 44 CO 0.07 0.01 -0.03 -0.22 0.00 0.00 0.00 175.10 174.92 2rmx s LEU 45 N 0.20 3.75 -0.09 3.92 2.96 0.21 -3.06 118.68 126.58 2rmx s LEU 45 Ca -0.01 -1.30 -0.06 0.00 -0.22 0.00 0.00 54.13 52.55 2rmx s LEU 45 Cb -0.02 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2rmx s LEU 45 CO -0.00 -0.24 0.16 -0.44 -1.32 0.00 0.00 176.35 174.50 2rmx s SER 46 N 1.21 6.39 0.00 3.68 0.01 -0.92 -2.58 113.70 121.50 2rmx s SER 46 Ca -0.06 0.45 -0.04 0.00 1.31 0.00 0.00 55.95 57.62 2rmx s SER 46 Cb -0.20 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 63.97 2rmx s SER 46 CO -0.02 0.37 0.06 -0.69 0.41 0.00 0.00 173.24 173.37 2rmx s VAL 47 N -1.10 0.08 -0.57 3.43 1.01 -1.05 -0.70 120.40 121.49 2rmx s VAL 47 Ca 0.18 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2rmx s VAL 47 Cb -0.12 -0.31 0.14 0.00 0.00 0.00 0.00 36.38 36.10 2rmx s VAL 47 CO 0.07 -0.35 0.48 -0.22 0.00 0.00 0.00 175.10 175.08 2rmx s LEU 48 N -1.14 6.03 0.66 3.92 2.96 -0.87 -0.22 118.68 130.02 2rmx s LEU 48 Ca -0.12 -2.08 -0.17 0.00 -0.22 0.00 0.00 54.13 51.53 2rmx s LEU 48 Cb -0.07 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2rmx s LEU 48 CO 0.00 -0.71 1.23 -1.54 -1.32 0.00 0.00 176.35 174.02 2rmx n SER 49 N 4.75 1.75 0.00 3.68 3.41 0.15 -0.19 113.62 127.16 2rmx n SER 49 Ca -0.05 0.79 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 2rmx n SER 49 Cb 0.41 -1.53 0.65 0.00 -0.26 0.00 0.00 64.21 63.49 2rmx n SER 49 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2rmx n ASP 50 N -1.90 0.00 -4.57 4.04 2.03 -1.26 -3.87 116.55 111.02 2rmx n ASP 50 Ca 0.15 -0.80 -0.42 0.00 0.52 0.00 0.00 54.79 54.25 2rmx n ASP 50 Cb 0.48 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2rmx s GLN 51 N -2.00 3.68 0.46 -0.67 -0.21 -1.26 -4.97 119.66 114.68 2rmx s GLN 51 Ca 0.33 0.10 -0.23 0.00 0.02 0.00 0.00 55.36 55.59 2rmx s GLN 51 Cb 0.15 -3.82 -0.07 0.00 1.00 0.00 0.00 33.01 30.27 2rmx s GLN 51 CO 0.25 -0.79 1.16 -1.25 -2.12 0.00 0.00 175.29 172.55 2rmx s PRO 52 N 2.83 3.74 0.12 2.91 0.04 -1.26 -1.55 135.00 141.84 2rmx s PRO 52 Ca 0.26 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2rmx s PRO 52 Cb -0.14 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 2rmx s PRO 52 CO 0.16 -0.56 1.58 0.87 0.04 0.00 0.00 177.00 179.09 2rmx h LYS 53 N 2.02 -0.53 0.00 4.56 1.57 -1.79 -3.40 116.57 119.00 2rmx h LYS 53 Ca -0.49 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2rmx h LYS 53 Cb 1.25 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2rmx h LYS 53 CO 0.60 -0.35 -0.47 0.00 -0.57 0.00 0.00 179.45 178.66 2rmx n ALA 54 N -2.90 1.81 -2.87 3.86 0.00 -1.26 -5.07 120.51 114.07 2rmx n ALA 54 Ca -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2rmx n ALA 54 Cb 0.37 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2rmx n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rmx n GLY 55 N 2.41 2.96 3.57 0.00 0.00 -1.26 -5.03 105.19 107.84 2rmx n GLY 55 Ca -0.07 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2rmx n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rmx s PRO 56 N 2.48 2.51 0.00 1.61 0.04 -1.26 -2.54 135.00 137.84 2rmx s PRO 56 Ca 0.00 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.29 2rmx s PRO 56 Cb 0.00 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.38 2rmx s PRO 56 CO 0.00 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 173.73 2rmx n GLY 57 N 6.29 0.82 3.81 0.56 0.00 -1.26 -5.15 105.19 110.27 2rmx n GLY 57 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 2rmx n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rmx s SER 58 N 0.00 5.86 -0.20 1.61 1.04 -1.05 -4.97 113.70 115.98 2rmx s SER 58 Ca 0.00 1.76 -0.29 0.00 0.48 0.00 0.00 55.95 57.90 2rmx s SER 58 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2rmx s SER 58 CO 0.00 -1.11 1.60 -2.16 0.98 0.00 0.00 173.24 172.54 2rmx s PRO 59 N -4.18 3.86 0.33 4.02 0.04 -1.26 -4.50 135.00 133.31 2rmx s PRO 59 Ca 0.62 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 2rmx s PRO 59 Cb -0.15 -4.01 -0.13 0.00 0.04 0.00 0.00 34.50 30.25 2rmx s PRO 59 CO 0.38 -1.21 0.06 1.28 0.04 0.00 0.00 177.00 177.55 2rmx n LEU 60 N 8.19 -2.38 -4.79 -3.56 4.77 -1.26 -3.73 117.00 114.24 2rmx n LEU 60 Ca 0.18 0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 56.47 2rmx n LEU 60 Cb 0.45 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2rmx n LEU 60 CO 0.64 -3.45 0.74 -0.60 -1.33 0.00 0.00 177.39 173.39 2rmx s ARG 61 N -0.81 3.49 -0.09 3.23 6.06 -0.59 -4.76 118.95 125.47 2rmx s ARG 61 Ca 0.48 1.39 0.02 0.00 -2.50 0.00 0.00 55.73 55.13 2rmx s ARG 61 Cb -0.51 -2.04 -0.02 0.00 0.06 0.00 0.00 34.95 32.44 2rmx s ARG 61 CO 0.51 -0.70 -0.16 0.08 -2.50 0.00 0.00 175.30 172.54 2rmx s VAL 62 N -2.06 2.86 -0.39 7.11 1.01 -1.26 -0.68 120.40 126.99 2rmx s VAL 62 Ca 0.68 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2rmx s VAL 62 Cb -0.19 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2rmx s VAL 62 CO 0.27 0.56 0.22 -0.89 0.00 0.00 0.00 175.10 175.26 2rmx s THR 63 N -0.13 4.20 -0.35 3.92 2.01 0.70 -4.95 115.64 121.03 2rmx s THR 63 Ca -0.02 -1.25 -0.18 0.00 0.31 0.00 0.00 61.69 60.54 2rmx s THR 63 Cb -0.14 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 2rmx s THR 63 CO 0.04 -0.40 0.53 -1.00 -0.69 0.00 0.00 174.62 173.10 2rmx s HIS 64 N 1.44 3.17 -0.07 4.92 3.76 -1.26 -2.54 115.29 124.71 2rmx s HIS 64 Ca 0.02 0.18 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 2rmx s HIS 64 Cb -0.22 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.53 2rmx s HIS 64 CO 0.03 -0.56 -0.17 0.42 -0.85 0.00 0.00 174.74 173.62 2rmx s ILE 65 N 2.43 1.45 0.28 0.60 1.01 -1.06 -5.02 121.20 120.88 2rmx s ILE 65 Ca 0.19 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 2rmx s ILE 65 Cb -0.15 -1.28 -0.09 0.00 0.01 0.00 0.00 42.46 40.94 2rmx s ILE 65 CO 0.14 0.42 0.97 -0.54 0.00 0.00 0.00 174.94 175.93 2rmx s LYS 66 N 0.38 4.71 -0.32 2.79 1.02 -1.26 -0.62 119.74 126.44 2rmx s LYS 66 Ca -0.12 1.49 -0.03 0.00 0.02 0.00 0.00 55.97 57.32 2rmx s LYS 66 Cb -0.15 -3.09 0.06 0.00 -0.52 0.00 0.00 37.83 34.13 2rmx s LYS 66 CO 0.04 0.37 0.05 0.08 -0.92 0.00 0.00 175.35 174.98 2rmx s VAL 67 N -1.33 3.21 0.71 3.17 1.01 0.45 -4.82 120.40 122.80 2rmx s VAL 67 Ca 0.45 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2rmx s VAL 67 Cb -0.24 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2rmx s VAL 67 CO 0.31 -0.20 1.06 -0.04 0.00 0.00 0.00 175.10 176.23 2rmx s MET 68 N 1.27 2.84 -0.11 2.72 -1.94 -0.62 -2.08 119.30 121.39 2rmx s MET 68 Ca -0.03 0.89 0.00 0.00 -1.71 0.00 0.00 55.69 54.85 2rmx s MET 68 Cb -0.20 -1.98 0.02 0.00 2.01 0.00 0.00 34.83 34.68 2rmx s MET 68 CO -0.01 -1.15 -0.10 0.00 -0.01 0.00 0.00 175.02 173.75 2rmx s GLU 70 N 1.39 2.81 -1.05 0.00 2.02 0.59 -4.76 118.70 119.69 2rmx s GLU 70 Ca -0.00 -2.37 -0.15 0.00 0.02 0.00 0.00 54.97 52.46 2rmx s GLU 70 Cb -0.13 -3.94 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 2rmx s GLU 70 CO -0.05 -1.20 0.78 0.41 0.02 0.00 0.00 175.26 175.21 2rmx n GLY 71 N 3.87 -1.07 1.96 -1.39 0.00 -1.26 -1.85 105.19 105.45 2rmx n GLY 71 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2rmx n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rmx n GLY 72 N -1.65 2.25 3.86 -0.02 0.00 -1.26 -5.00 105.19 103.37 2rmx n GLY 72 Ca -0.10 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2rmx n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rmx s ARG 73 N 0.00 1.07 0.06 1.61 0.52 -0.77 -4.71 118.95 116.72 2rmx s ARG 73 Ca 0.00 -0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2rmx s ARG 73 Cb 0.00 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 2rmx s ARG 73 CO 0.00 -2.18 -0.10 0.71 0.02 0.00 0.00 175.30 173.76 2rmx s TYR 74 N -3.59 0.86 0.21 -0.53 2.02 -0.62 -0.30 117.35 115.40 2rmx s TYR 74 Ca 0.67 -0.52 -0.16 0.00 -0.37 0.00 0.00 57.07 56.69 2rmx s TYR 74 Cb -0.09 -0.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.99 2rmx s TYR 74 CO 0.52 -0.04 0.52 -0.08 -1.57 0.00 0.00 175.55 174.89 2rmx s THR 75 N -1.54 0.02 -0.46 -0.71 -1.32 -0.49 -0.43 115.64 110.71 2rmx s THR 75 Ca -0.05 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 59.50 2rmx s THR 75 Cb -0.09 -1.75 0.14 0.00 -1.51 0.00 0.00 72.50 69.30 2rmx s THR 75 CO 0.01 -0.10 0.28 0.68 -2.21 0.00 0.00 174.62 173.27 2rmx s VAL 76 N -3.91 1.43 0.00 5.08 -7.23 -1.26 -1.59 120.40 112.92 2rmx s VAL 76 Ca 0.12 -2.73 0.00 0.00 -1.81 0.00 0.00 61.98 57.56 2rmx s VAL 76 Cb -0.01 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2rmx s VAL 76 CO 0.00 -0.94 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 2rmx n GLY 77 N 3.31 1.19 3.30 2.32 0.00 -1.26 -4.90 105.19 109.15 2rmx n GLY 77 Ca 0.12 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2rmx n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rmx n GLY 78 N 0.00 -2.86 0.08 -0.02 0.00 -1.26 -4.91 105.19 96.22 2rmx n GLY 78 Ca 0.00 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.86 2rmx n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rmx n LEU 79 N -4.44 0.71 -4.23 0.99 4.32 -1.26 -4.91 117.00 108.18 2rmx n LEU 79 Ca 0.06 0.37 -0.28 0.00 -0.02 0.00 0.00 56.01 56.14 2rmx n LEU 79 Cb 0.55 -0.25 0.19 0.00 -1.62 0.00 0.00 43.42 42.30 2rmx n LEU 79 CO 0.48 -0.10 -0.19 -0.62 -1.22 0.00 0.00 177.39 175.74 2rmx n GLU 80 N -2.13 -2.29 -3.57 3.23 1.02 -1.26 -5.05 120.64 110.59 2rmx n GLU 80 Ca 0.04 -0.66 -0.15 0.00 -0.02 0.00 0.00 57.16 56.37 2rmx n GLU 80 Cb 0.43 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 2rmx n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rmx s THR 81 N -2.20 0.02 0.11 2.62 -4.23 -1.26 -4.58 115.64 106.13 2rmx s THR 81 Ca 0.55 -0.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2rmx s THR 81 Cb -0.12 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2rmx s THR 81 CO 0.58 -0.10 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.08 2rmx s PHE 82 N -1.92 1.28 0.19 3.99 0.40 0.43 -4.89 117.98 117.45 2rmx s PHE 82 Ca -0.08 -0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 2rmx s PHE 82 Cb -0.01 -0.68 0.18 0.00 0.51 0.00 0.00 43.02 43.03 2rmx s PHE 82 CO 0.03 0.09 1.76 0.22 0.70 0.00 0.00 175.22 178.02 2rmx h ASP 83 N 3.52 0.28 -1.89 1.36 3.58 -1.91 -1.66 116.42 119.70 2rmx h ASP 83 Ca -0.39 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.17 2rmx h ASP 83 Cb 1.19 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2rmx h ASP 83 CO 0.52 0.19 0.29 -1.54 -2.88 0.00 0.00 179.24 175.82 2rmx n SER 84 N -4.95 -1.15 -0.25 2.28 3.41 -1.26 -4.47 113.62 107.23 2rmx n SER 84 Ca 0.06 -1.68 0.23 0.00 -0.26 0.00 0.00 58.87 57.22 2rmx n SER 84 Cb 0.19 1.89 0.58 0.00 -0.26 0.00 0.00 64.21 66.61 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2rmx h LEU 85 N 0.00 0.29 0.45 1.04 -0.00 -1.94 0.18 115.31 115.33 2rmx h LEU 85 Ca -0.18 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 2rmx h LEU 85 Cb 0.73 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2rmx h LEU 85 CO 0.23 0.09 -0.22 0.74 -0.00 0.00 0.00 178.44 179.29 2rmx h THR 86 N 0.28 0.47 -0.82 0.22 2.02 -1.98 0.21 112.91 113.31 2rmx h THR 86 Ca 0.49 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 2rmx h THR 86 Cb 1.45 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 2rmx h THR 86 CO -0.15 0.07 0.40 -0.78 0.37 0.00 0.00 175.52 175.43 2rmx h ASP 87 N -0.89 1.06 0.61 4.18 3.58 -1.69 0.13 116.42 123.40 2rmx h ASP 87 Ca -0.06 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 2rmx h ASP 87 Cb 0.57 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.36 2rmx h ASP 87 CO 0.10 0.88 -0.30 0.25 -2.88 0.00 0.00 179.24 177.30 2rmx h LEU 88 N 1.16 -0.70 0.58 2.28 6.46 -0.68 -2.20 115.31 122.21 2rmx h LEU 88 Ca 0.28 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2rmx h LEU 88 Cb 0.10 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2rmx h LEU 88 CO -0.04 -0.32 -0.41 0.58 -0.62 0.00 0.00 178.44 177.64 2rmx h VAL 89 N -1.16 0.18 -0.65 1.05 2.07 -0.55 -2.30 116.25 114.89 2rmx h VAL 89 Ca -0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2rmx h VAL 89 Cb 0.67 0.18 -0.12 0.00 -1.52 0.00 0.00 31.29 30.49 2rmx h VAL 89 CO 0.14 0.00 -0.38 -0.33 0.02 0.00 0.00 177.57 177.02 2rmx h GLU 90 N -0.95 -0.15 -0.16 1.57 4.39 -0.85 1.24 114.58 119.67 2rmx h GLU 90 Ca -0.07 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2rmx h GLU 90 Cb 0.79 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2rmx h GLU 90 CO 0.03 -0.10 0.23 1.25 -1.16 0.00 0.00 179.01 179.26 2rmx h HIS 91 N -0.16 0.00 0.00 4.33 2.76 -1.25 0.24 115.15 121.08 2rmx h HIS 91 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2rmx h HIS 91 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2rmx h HIS 91 CO -0.70 0.00 -1.29 1.19 -1.30 0.00 0.00 177.93 175.83 2rmx n PHE 92 N -3.55 0.54 0.46 5.26 3.72 0.37 -3.08 117.46 121.18 2rmx n PHE 92 Ca 0.01 0.16 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 2rmx n PHE 92 Cb 0.34 -0.72 0.46 0.00 -0.94 0.00 0.00 39.48 38.62 2rmx n PHE 92 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2rmx h LYS 93 N 0.00 0.00 0.00 -1.08 1.57 0.37 -0.51 116.57 116.93 2rmx h LYS 93 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2rmx h LYS 93 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 2rmx h LYS 93 CO 0.00 0.00 -1.96 0.36 -0.57 0.00 0.00 179.45 177.28 2rmx n LYS 94 N -2.39 0.92 -0.04 3.15 2.85 -1.10 -4.64 118.16 116.92 2rmx n LYS 94 Ca 0.03 0.06 -0.03 0.00 -1.05 0.00 0.00 58.31 57.33 2rmx n LYS 94 Cb 0.33 -1.35 -0.01 0.00 -0.65 0.00 0.00 35.03 33.36 2rmx n LYS 94 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2rmx n THR 95 N -2.82 0.75 0.00 0.58 -2.24 -1.18 -5.12 114.28 104.25 2rmx n THR 95 Ca -0.27 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2rmx n THR 95 Cb 0.87 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 2rmx n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rmx n GLY 96 N 1.65 3.23 3.74 3.38 0.00 -0.20 -5.05 105.19 111.94 2rmx n GLY 96 Ca -0.04 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 2rmx n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rmx s ILE 97 N -2.77 4.94 -0.27 -0.61 1.01 -0.93 -4.94 121.20 117.63 2rmx s ILE 97 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 2rmx s ILE 97 Cb 0.00 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 2rmx s ILE 97 CO 0.00 0.56 0.05 -0.70 0.00 0.00 0.00 174.94 174.86 2rmx s GLU 98 N -0.53 3.31 0.37 2.79 2.12 -1.26 -1.05 118.70 124.45 2rmx s GLU 98 Ca 0.11 -0.70 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 2rmx s GLU 98 Cb -0.12 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 2rmx s GLU 98 CO 0.02 -0.32 0.73 -1.21 -0.54 0.00 0.00 175.26 173.93 2rmx s GLU 99 N 1.53 3.77 0.09 4.30 0.41 -0.06 -4.99 118.70 123.75 2rmx s GLU 99 Ca 0.04 0.40 -0.33 0.00 -0.41 0.00 0.00 54.97 54.68 2rmx s GLU 99 Cb -0.16 -2.44 -0.15 0.00 -1.78 0.00 0.00 34.13 29.60 2rmx s GLU 99 CO 0.02 0.03 1.60 0.00 -0.49 0.00 0.00 175.26 176.42 2rmx h ALA 100 N 1.44 -0.88 -0.77 5.21 0.00 -1.99 -2.50 119.26 119.78 2rmx h ALA 100 Ca -0.47 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 54.55 2rmx h ALA 100 Cb 1.19 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 2rmx h ALA 100 CO 0.64 -1.03 0.18 0.43 0.00 0.00 0.00 179.25 179.47 2rmx n SER 101 N -5.50 0.05 0.00 0.00 7.64 -1.26 -4.68 113.62 109.88 2rmx n SER 101 Ca -0.11 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2rmx n SER 101 Cb 0.39 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2rmx n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 102 N -1.31 1.07 3.79 0.23 0.00 -0.94 -5.15 105.19 102.87 2rmx n GLY 102 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 2rmx n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rmx s ALA 103 N -1.07 3.59 -0.25 4.61 0.00 -1.24 -4.95 121.76 122.45 2rmx s ALA 103 Ca 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.37 2rmx s ALA 103 Cb 0.00 -1.10 0.07 0.00 0.00 0.00 0.00 23.12 22.09 2rmx s ALA 103 CO 0.00 0.15 0.01 -0.06 0.00 0.00 0.00 175.76 175.86 2rmx s PHE 104 N -2.26 2.01 0.25 0.00 0.08 -1.26 -0.88 117.98 115.92 2rmx s PHE 104 Ca 0.36 -1.61 -0.30 0.00 0.12 0.00 0.00 56.93 55.50 2rmx s PHE 104 Cb -0.06 -1.56 -0.09 0.00 -0.57 0.00 0.00 43.02 40.73 2rmx s PHE 104 CO 0.24 -0.77 0.96 0.08 -0.10 0.00 0.00 175.22 175.64 2rmx s VAL 105 N 1.52 3.99 0.03 -0.44 1.01 -0.21 -4.92 120.40 121.39 2rmx s VAL 105 Ca -0.00 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.05 2rmx s VAL 105 Cb -0.18 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2rmx s VAL 105 CO -0.11 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 174.91 2rmx s TYR 106 N -1.20 2.05 -0.41 5.22 2.02 -1.26 -2.20 117.35 121.57 2rmx s TYR 106 Ca 0.42 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2rmx s TYR 106 Cb -0.26 -1.25 0.12 0.00 -0.40 0.00 0.00 41.96 40.16 2rmx s TYR 106 CO 0.33 0.08 0.15 -0.51 -1.57 0.00 0.00 175.55 174.03 2rmx s LEU 107 N -1.06 4.04 -0.13 -1.29 1.02 -1.26 -4.30 118.68 115.70 2rmx s LEU 107 Ca 0.09 -2.47 -0.07 0.00 0.02 0.00 0.00 54.13 51.71 2rmx s LEU 107 Cb -0.09 -1.47 -0.25 0.00 0.02 0.00 0.00 46.19 44.40 2rmx s LEU 107 CO 0.01 -0.32 0.32 0.54 0.02 0.00 0.00 176.35 176.92 2rmx n ARG 108 N 3.82 0.75 -3.74 1.70 1.74 -0.97 -4.54 116.66 115.42 2rmx n ARG 108 Ca 0.04 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.26 2rmx n ARG 108 Cb 0.37 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 2rmx n ARG 108 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2rmx s GLN 109 N -2.55 0.53 0.00 5.56 0.00 -1.19 -5.09 119.66 116.92 2rmx s GLN 109 Ca -0.24 0.31 0.00 0.00 -0.00 0.00 0.00 55.36 55.44 2rmx s GLN 109 Cb 0.07 0.25 0.00 0.00 0.00 0.00 0.00 33.01 33.33 2rmx s GLN 109 CO 0.75 -0.10 0.00 -0.35 0.00 0.00 0.00 175.29 175.59 2rmx n PRO 110 N 2.34 -0.06 -3.85 9.60 -0.04 -1.26 -2.68 135.00 139.05 2rmx n PRO 110 Ca -0.16 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.03 2rmx n PRO 110 Cb 0.57 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.86 2rmx n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2rmx s TYR 111 N -0.52 1.44 -0.13 0.54 5.04 -0.77 -4.57 117.35 118.38 2rmx s TYR 111 Ca 0.00 -0.90 -0.08 0.00 -2.44 0.00 0.00 57.07 53.65 2rmx s TYR 111 Cb 0.00 -1.19 -0.04 0.00 0.35 0.00 0.00 41.96 41.07 2rmx s TYR 111 CO 0.00 -0.57 0.15 0.71 -1.34 0.00 0.00 175.55 174.51 2rmx s TYR 112 N 1.72 3.56 -0.06 4.97 2.02 -1.26 -4.87 117.35 123.44 2rmx s TYR 112 Ca 0.01 0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 57.14 2rmx s TYR 112 Cb -0.15 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 2rmx s TYR 112 CO -0.07 0.62 -0.17 0.43 -1.57 0.00 0.00 175.55 174.79 2rmx n SER 113 N 2.36 1.41 0.00 2.29 7.64 -1.26 -5.15 113.62 120.90 2rmx n SER 113 Ca -0.19 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2rmx n SER 113 Cb 0.54 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2rmx n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 114 N 2.44 2.15 0.17 0.23 0.00 -1.26 -4.96 105.19 103.95 2rmx n GLY 114 Ca -0.11 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 44.59 2rmx n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rmx h PRO 115 N 0.00 0.00 -7.66 1.61 0.13 -2.01 -3.45 132.00 120.62 2rmx h PRO 115 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 2rmx h PRO 115 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 2rmx h PRO 115 CO 0.00 0.47 0.36 -1.54 -0.23 0.00 0.00 178.00 177.06 2rmx s SER 116 N -6.87 3.56 -0.04 1.44 1.04 -1.26 -5.10 113.70 106.47 2rmx s SER 116 Ca -0.02 0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 2rmx s SER 116 Cb 0.14 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.88 2rmx s SER 116 CO 0.74 -2.44 0.06 -0.94 0.98 0.00 0.00 173.24 171.64 2rmx s SER 117 N -4.81 0.84 0.00 7.02 1.04 -1.26 -5.08 113.70 111.45 2rmx s SER 117 Ca 0.71 0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2rmx s SER 117 Cb -0.05 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2rmx s SER 117 CO 0.51 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.12