#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 0.70 -0.15 1.61 0.15 -1.26 -5.14 113.70 109.60 2rmx s SER 2 Ca 0.00 0.14 -0.07 0.00 0.70 0.00 0.00 55.95 56.72 2rmx s SER 2 Cb 0.00 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 2rmx s SER 2 CO 0.00 -0.30 0.07 -0.55 1.20 0.00 0.00 173.24 173.67 2rmx s SER 3 N 2.44 5.77 -0.07 5.45 0.15 -1.26 -5.09 113.70 121.08 2rmx s SER 3 Ca 0.08 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.92 2rmx s SER 3 Cb -0.15 -1.91 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 2rmx s SER 3 CO -0.13 0.26 -0.08 -0.83 1.20 0.00 0.00 173.24 173.66 2rmx s GLY 4 N -0.13 0.67 -0.39 9.45 0.00 -1.26 -5.02 107.32 110.64 2rmx s GLY 4 Ca 0.08 -0.32 0.09 0.00 0.00 0.00 0.00 44.72 44.57 2rmx s GLY 4 CO 0.01 0.50 1.08 -1.14 0.00 0.00 0.00 173.10 173.55 2rmx n SER 5 N 4.31 3.90 -4.74 1.64 3.41 -1.26 -5.06 113.62 115.81 2rmx n SER 5 Ca -0.19 -3.44 -0.32 0.00 -0.26 0.00 0.00 58.87 54.66 2rmx n SER 5 Cb 0.51 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 2rmx n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rmx s SER 6 N -3.46 5.42 0.00 4.04 1.04 -1.26 -5.12 113.70 114.35 2rmx s SER 6 Ca 0.43 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2rmx s SER 6 Cb 0.41 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2rmx s SER 6 CO -0.11 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2rmx n GLY 7 N 0.98 1.14 0.88 7.32 0.00 -1.26 -5.01 105.19 109.24 2rmx n GLY 7 Ca -0.12 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 0.29 -3.77 1.61 -0.00 -1.26 -4.84 117.44 109.47 2rmx n TRP 8 Ca 0.00 -1.47 -0.36 0.00 -0.00 0.00 0.00 57.50 55.67 2rmx n TRP 8 Cb 0.00 -0.25 -0.12 0.00 -0.00 0.00 0.00 31.31 30.95 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 -2.91 3.15 -0.36 -2.67 5.04 -1.26 0.09 117.35 118.44 2rmx s TYR 9 Ca 0.39 -0.17 0.04 0.00 -2.44 0.00 0.00 57.07 54.88 2rmx s TYR 9 Cb 0.38 -2.24 0.10 0.00 0.35 0.00 0.00 41.96 40.55 2rmx s TYR 9 CO -0.07 -0.19 0.08 -1.01 -1.34 0.00 0.00 175.55 173.02 2rmx s HIS 10 N 1.37 3.54 0.45 4.97 3.76 0.42 -4.97 115.29 124.83 2rmx s HIS 10 Ca 0.06 -2.93 -0.19 0.00 -0.15 0.00 0.00 55.06 51.84 2rmx s HIS 10 Cb -0.15 -2.82 -0.10 0.00 1.11 0.00 0.00 32.58 30.62 2rmx s HIS 10 CO 0.05 -0.92 0.94 0.20 -0.85 0.00 0.00 174.74 174.16 2rmx s GLY 11 N 0.81 2.28 -0.71 -2.22 0.00 -1.26 -3.89 107.32 102.33 2rmx s GLY 11 Ca 0.12 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 2rmx s GLY 11 CO -0.08 0.57 0.60 1.57 0.00 0.00 0.00 173.10 175.76 2rmx n HIS 12 N -0.90 -1.34 -3.63 1.90 -0.00 -1.26 -5.00 115.22 104.98 2rmx n HIS 12 Ca 0.07 0.56 -0.16 0.00 0.46 0.00 0.00 57.72 58.64 2rmx n HIS 12 Cb 0.54 -3.74 -0.14 0.00 -0.12 0.00 0.00 29.99 26.53 2rmx n HIS 12 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2rmx s MET 13 N -4.94 0.11 0.72 1.57 0.00 -1.26 -5.15 119.30 110.35 2rmx s MET 13 Ca 0.05 0.58 -0.10 0.00 0.00 0.00 0.00 55.69 56.22 2rmx s MET 13 Cb -0.02 -0.33 0.16 0.00 0.00 0.00 0.00 34.83 34.63 2rmx s MET 13 CO 0.43 -0.36 0.98 -1.13 0.00 0.00 0.00 175.02 174.94 2rmx n SER 14 N 5.34 0.27 0.22 1.11 3.41 -1.26 -4.81 113.62 117.89 2rmx n SER 14 Ca -0.05 -1.47 -0.13 0.00 -0.26 0.00 0.00 58.87 56.96 2rmx n SER 14 Cb 0.50 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 2rmx n SER 14 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2rmx h GLY 15 N -1.18 -0.61 -1.01 5.00 0.00 -1.99 -2.57 103.07 100.70 2rmx h GLY 15 Ca -0.32 0.23 0.42 0.00 0.00 0.00 0.00 47.33 47.66 2rmx h GLY 15 CO 0.24 -0.22 0.68 -1.33 0.00 0.00 0.00 176.54 175.91 2rmx h GLY 16 N -0.99 1.87 0.38 4.60 0.00 -2.01 -0.20 103.07 106.72 2rmx h GLY 16 Ca -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2rmx h GLY 16 CO 0.10 -0.61 -0.16 -1.61 0.00 0.00 0.00 176.54 174.26 2rmx h GLN 17 N 0.07 -0.43 -0.98 4.80 5.75 -1.94 -3.28 115.11 119.11 2rmx h GLN 17 Ca 0.83 0.03 0.33 0.00 -0.15 0.00 0.00 58.65 59.69 2rmx h GLN 17 Cb 2.33 0.10 -0.17 0.00 1.07 0.00 0.00 27.48 30.80 2rmx h GLN 17 CO -0.61 -0.20 0.29 0.00 -2.65 0.00 0.00 178.83 175.66 2rmx h ALA 18 N -0.92 1.62 -0.63 3.38 0.00 -0.64 0.70 119.26 122.76 2rmx h ALA 18 Ca -0.05 0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2rmx h ALA 18 Cb 0.43 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2rmx h ALA 18 CO 0.07 -0.71 0.23 0.93 0.00 0.00 0.00 179.25 179.78 2rmx h GLU 19 N 0.05 0.40 0.68 0.00 5.08 -1.38 0.29 114.58 119.70 2rmx h GLU 19 Ca 0.70 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 59.00 2rmx h GLU 19 Cb 1.64 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.81 2rmx h GLU 19 CO -0.81 0.26 -0.32 1.15 -1.00 0.00 0.00 179.01 178.29 2rmx h THR 20 N 0.41 0.00 -1.11 1.13 2.02 0.33 0.15 112.91 115.84 2rmx h THR 20 Ca 0.32 -0.33 0.31 0.00 0.77 0.00 0.00 66.41 67.48 2rmx h THR 20 Cb 0.41 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.73 2rmx h THR 20 CO -0.32 0.00 0.73 -0.07 0.37 0.00 0.00 175.52 176.22 2rmx h LEU 21 N -1.24 0.35 0.16 2.58 4.07 -1.20 0.29 115.31 120.32 2rmx h LEU 21 Ca -0.09 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2rmx h LEU 21 Cb 0.70 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2rmx h LEU 21 CO 0.15 0.02 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.39 2rmx h LEU 22 N 0.29 -0.18 -0.27 1.67 3.38 -0.86 -3.20 115.31 116.13 2rmx h LEU 22 Ca 0.64 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.63 2rmx h LEU 22 Cb 1.80 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.52 2rmx h LEU 22 CO -0.29 0.31 -0.30 1.56 0.09 0.00 0.00 178.44 179.82 2rmx h GLN 23 N -1.05 -0.29 -0.93 1.13 4.20 0.09 -0.56 115.11 117.70 2rmx h GLN 23 Ca -0.02 0.02 0.26 0.00 0.06 0.00 0.00 58.65 58.97 2rmx h GLN 23 Cb 0.21 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 27.92 2rmx h GLN 23 CO 0.04 -0.19 0.40 0.00 -0.67 0.00 0.00 178.83 178.40 2rmx h ALA 24 N 0.66 1.56 -0.34 3.87 0.00 -0.60 0.78 119.26 125.19 2rmx h ALA 24 Ca 0.14 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2rmx h ALA 24 Cb 0.52 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2rmx h ALA 24 CO -0.44 -0.46 0.23 -0.22 0.00 0.00 0.00 179.25 178.36 2rmx h LYS 25 N 0.31 0.43 -1.95 0.00 1.63 -1.09 -3.46 116.57 112.44 2rmx h LYS 25 Ca 0.62 -0.03 -0.42 0.00 -0.85 0.00 0.00 60.65 59.98 2rmx h LYS 25 Cb 1.28 -0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.72 2rmx h LYS 25 CO -0.60 0.28 -0.45 0.41 -3.45 0.00 0.00 179.45 175.64 2rmx n GLY 26 N -1.49 0.75 3.48 5.01 0.00 0.27 -4.96 105.19 108.25 2rmx n GLY 26 Ca 0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.38 3.66 0.35 1.61 2.02 -1.26 -5.01 118.70 115.68 2rmx s GLU 27 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 54.97 54.22 2rmx s GLU 27 Cb 0.00 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.66 2rmx s GLU 27 CO 0.00 -0.24 1.21 -1.25 0.02 0.00 0.00 175.26 175.00 2rmx s PRO 28 N 1.65 4.30 -0.98 0.39 0.04 -1.26 -3.22 135.00 135.92 2rmx s PRO 28 Ca 0.06 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 2rmx s PRO 28 Cb -0.16 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2rmx s PRO 28 CO 0.06 -0.16 0.20 0.91 0.04 0.00 0.00 177.00 178.05 2rmx n TRP 29 N 0.60 -0.90 -3.13 0.56 5.03 0.96 -4.85 117.44 115.70 2rmx n TRP 29 Ca 0.01 0.17 -0.44 0.00 3.03 0.00 0.00 57.50 60.27 2rmx n TRP 29 Cb 0.44 -2.93 -0.05 0.00 -1.03 0.00 0.00 31.31 27.74 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 -2.78 4.84 0.39 -0.99 2.01 -1.20 -2.42 115.64 115.49 2rmx s THR 30 Ca 0.10 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 2rmx s THR 30 Cb -0.04 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 2rmx s THR 30 CO 0.12 -0.95 0.60 0.72 -0.69 0.00 0.00 174.62 174.43 2rmx s PHE 31 N 2.68 3.43 -0.28 4.92 -0.71 -1.06 -1.41 117.98 125.55 2rmx s PHE 31 Ca 0.14 0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 56.13 2rmx s PHE 31 Cb -0.21 -2.05 0.11 0.00 -1.21 0.00 0.00 43.02 39.66 2rmx s PHE 31 CO 0.10 -0.05 0.97 -0.48 -1.34 0.00 0.00 175.22 174.42 2rmx s LEU 32 N -4.42 -0.50 0.11 -1.99 0.05 -0.20 -1.92 118.68 109.81 2rmx s LEU 32 Ca 0.43 0.97 0.02 0.00 0.05 0.00 0.00 54.13 55.60 2rmx s LEU 32 Cb -0.10 1.99 -0.04 0.00 -2.05 0.00 0.00 46.19 45.99 2rmx s LEU 32 CO 0.37 -0.17 0.22 -0.69 -0.55 0.00 0.00 176.35 175.53 2rmx s VAL 33 N 0.24 5.18 -0.30 1.48 1.01 0.11 -2.23 120.40 125.89 2rmx s VAL 33 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2rmx s VAL 33 Cb -0.05 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.88 2rmx s VAL 33 CO -0.05 0.01 0.79 0.00 0.00 0.00 0.00 175.10 175.85 2rmx s ARG 34 N -2.89 0.45 0.60 2.72 1.70 -1.17 -0.43 118.95 119.92 2rmx s ARG 34 Ca 0.34 1.07 -0.18 0.00 -0.47 0.00 0.00 55.73 56.49 2rmx s ARG 34 Cb -0.12 0.64 -0.15 0.00 -0.57 0.00 0.00 34.95 34.75 2rmx s ARG 34 CO 0.27 -0.21 -0.27 -1.91 -1.08 0.00 0.00 175.30 172.10 2rmx n GLU 35 N 5.27 0.00 -1.55 3.89 2.13 -1.25 -3.36 120.64 125.77 2rmx n GLU 35 Ca -0.09 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.42 2rmx n GLU 35 Cb 0.51 -0.98 0.06 0.00 0.27 0.00 0.00 31.44 31.30 2rmx n GLU 35 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2rmx s SER 36 N -0.98 5.10 -0.19 4.31 0.15 -1.20 -4.74 113.70 116.14 2rmx s SER 36 Ca 0.52 1.54 -0.15 0.00 0.70 0.00 0.00 55.95 58.56 2rmx s SER 36 Cb -0.42 -2.38 -0.10 0.00 -1.71 0.00 0.00 66.02 61.41 2rmx s SER 36 CO 0.69 -1.62 -0.11 0.18 1.20 0.00 0.00 173.24 173.58 2rmx n LEU 37 N -3.23 1.87 0.00 3.45 7.99 -1.26 -4.84 117.00 120.98 2rmx n LEU 37 Ca 0.07 0.47 0.00 0.00 -0.01 0.00 0.00 56.01 56.54 2rmx n LEU 37 Cb 0.54 -0.87 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 2rmx n LEU 37 CO 0.56 -0.02 0.00 -0.24 -1.51 0.00 0.00 177.39 176.18 2rmx n SER 38 N -4.47 0.00 -4.44 -1.43 2.88 -1.26 -4.83 113.62 100.06 2rmx n SER 38 Ca -0.24 0.25 -0.47 0.00 -1.33 0.00 0.00 58.87 57.08 2rmx n SER 38 Cb 0.55 -0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 2rmx n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rmx n GLN 39 N -2.23 0.46 -2.10 -1.46 6.02 -1.26 -4.82 117.38 111.99 2rmx n GLN 39 Ca 0.00 0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 2rmx n GLN 39 Cb 0.00 -2.08 -0.03 0.00 1.02 0.00 0.00 30.24 29.16 2rmx n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2rmx s PRO 40 N 7.55 3.48 0.00 -1.09 0.04 -1.26 -2.89 135.00 140.83 2rmx s PRO 40 Ca 1.20 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2rmx s PRO 40 Cb -1.02 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2rmx s PRO 40 CO 0.49 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2rmx n GLY 41 N 5.20 2.85 3.46 0.56 0.00 -1.26 -5.06 105.19 110.95 2rmx n GLY 41 Ca 0.21 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2rmx n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rmx s ASP 42 N 0.16 0.50 0.27 1.61 1.11 -1.14 -4.93 116.67 114.25 2rmx s ASP 42 Ca 0.00 1.18 0.02 0.00 0.18 0.00 0.00 52.55 53.93 2rmx s ASP 42 Cb 0.00 -1.80 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 2rmx s ASP 42 CO 0.00 -4.45 0.14 -0.36 1.18 0.00 0.00 175.17 171.68 2rmx s PHE 43 N -2.52 1.49 -0.01 4.23 0.40 -0.84 -3.23 117.98 117.51 2rmx s PHE 43 Ca 0.68 -1.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2rmx s PHE 43 Cb -0.20 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.54 2rmx s PHE 43 CO 0.61 -0.50 -0.00 0.08 0.70 0.00 0.00 175.22 176.11 2rmx s VAL 44 N -3.77 0.08 -0.17 -0.44 1.01 -1.22 -0.22 120.40 115.68 2rmx s VAL 44 Ca 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 2rmx s VAL 44 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.33 2rmx s VAL 44 CO 0.15 0.05 -0.13 -0.22 0.00 0.00 0.00 175.10 174.96 2rmx s LEU 45 N 0.30 2.54 0.00 3.92 2.96 -0.05 -3.04 118.68 125.32 2rmx s LEU 45 Ca -0.03 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2rmx s LEU 45 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2rmx s LEU 45 CO -0.01 0.05 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.42 2rmx s SER 46 N 1.03 3.52 -0.02 3.68 0.01 -0.95 -0.57 113.70 120.41 2rmx s SER 46 Ca -0.01 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 2rmx s SER 46 Cb -0.15 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2rmx s SER 46 CO -0.03 0.30 0.08 -0.69 0.41 0.00 0.00 173.24 173.30 2rmx s VAL 47 N -0.77 0.03 -0.69 3.43 1.01 -0.88 -1.03 120.40 121.50 2rmx s VAL 47 Ca 0.12 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2rmx s VAL 47 Cb -0.10 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.23 2rmx s VAL 47 CO 0.02 -0.14 0.71 -0.22 0.00 0.00 0.00 175.10 175.47 2rmx s LEU 48 N -0.44 5.98 0.58 3.92 2.96 -0.50 -0.26 118.68 130.94 2rmx s LEU 48 Ca -0.05 -1.98 -0.20 0.00 -0.22 0.00 0.00 54.13 51.68 2rmx s LEU 48 Cb -0.03 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2rmx s LEU 48 CO 0.00 -0.88 1.17 -1.54 -1.32 0.00 0.00 176.35 173.79 2rmx n SER 49 N 5.35 1.73 0.00 3.68 3.41 -0.01 -0.03 113.62 127.75 2rmx n SER 49 Ca -0.00 0.89 0.08 0.00 -0.26 0.00 0.00 58.87 59.58 2rmx n SER 49 Cb 0.44 -1.49 0.43 0.00 -0.26 0.00 0.00 64.21 63.34 2rmx n SER 49 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2rmx n ASP 50 N -1.00 0.00 -4.60 4.04 5.75 -1.26 -3.83 116.55 115.65 2rmx n ASP 50 Ca 0.13 -0.01 -0.43 0.00 -0.01 0.00 0.00 54.79 54.47 2rmx n ASP 50 Cb 0.46 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 40.25 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2rmx s GLN 51 N -2.52 3.79 0.50 0.11 -0.21 -1.26 -4.96 119.66 115.11 2rmx s GLN 51 Ca 0.17 0.50 -0.21 0.00 0.02 0.00 0.00 55.36 55.84 2rmx s GLN 51 Cb 0.11 -3.82 -0.07 0.00 1.00 0.00 0.00 33.01 30.23 2rmx s GLN 51 CO 0.25 -0.99 1.15 -1.25 -2.12 0.00 0.00 175.29 172.33 2rmx s PRO 52 N 3.52 3.57 0.18 2.91 0.04 -1.26 -1.79 135.00 142.16 2rmx s PRO 52 Ca 0.38 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 2rmx s PRO 52 Cb -0.12 -2.22 0.15 0.00 0.04 0.00 0.00 34.50 32.36 2rmx s PRO 52 CO 0.20 -0.69 1.75 0.87 0.04 0.00 0.00 177.00 179.17 2rmx h LYS 53 N 1.65 0.35 0.00 4.56 1.57 -1.80 -3.41 116.57 119.48 2rmx h LYS 53 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2rmx h LYS 53 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2rmx h LYS 53 CO 0.59 0.23 -0.00 0.00 -0.57 0.00 0.00 179.45 179.69 2rmx n ALA 54 N -2.40 2.98 -2.94 3.86 0.00 -1.26 -5.08 120.51 115.66 2rmx n ALA 54 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2rmx n ALA 54 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 3.48 3.51 3.57 0.00 0.00 -1.26 -5.03 105.19 109.46 2rmx n GLY 55 Ca -0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 2.19 2.52 0.00 1.61 0.04 -1.26 -2.60 135.00 137.51 2rmx s PRO 56 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.39 2rmx s PRO 56 Cb 0.00 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.40 2rmx s PRO 56 CO 0.00 -3.65 0.00 0.41 0.04 0.00 0.00 177.00 173.80 2rmx n GLY 57 N 6.42 1.28 3.78 0.56 0.00 -1.26 -5.14 105.19 110.82 2rmx n GLY 57 Ca 0.42 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 5.36 -0.20 1.61 1.04 -1.07 -4.95 113.70 115.49 2rmx s SER 58 Ca 0.00 1.96 -0.29 0.00 0.48 0.00 0.00 55.95 58.09 2rmx s SER 58 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2rmx s SER 58 CO 0.00 -1.46 1.59 -2.16 0.98 0.00 0.00 173.24 172.20 2rmx s PRO 59 N -4.03 3.86 0.38 4.02 0.04 -1.26 -4.54 135.00 133.47 2rmx s PRO 59 Ca 0.66 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 2rmx s PRO 59 Cb -0.19 -4.01 -0.14 0.00 0.04 0.00 0.00 34.50 30.19 2rmx s PRO 59 CO 0.39 -1.21 0.05 1.28 0.04 0.00 0.00 177.00 177.55 2rmx n LEU 60 N 8.18 -2.73 -4.78 -3.56 4.77 -1.26 -3.75 117.00 113.87 2rmx n LEU 60 Ca 0.18 0.72 -0.34 0.00 -0.03 0.00 0.00 56.01 56.54 2rmx n LEU 60 Cb 0.45 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2rmx n LEU 60 CO 0.64 -3.91 0.75 -0.60 -1.33 0.00 0.00 177.39 172.95 2rmx s ARG 61 N -0.91 3.37 0.02 3.23 6.06 -0.74 -4.74 118.95 125.24 2rmx s ARG 61 Ca 0.54 1.48 0.04 0.00 -2.50 0.00 0.00 55.73 55.28 2rmx s ARG 61 Cb -0.56 -2.02 -0.03 0.00 0.06 0.00 0.00 34.95 32.39 2rmx s ARG 61 CO 0.58 -0.81 -0.08 0.08 -2.50 0.00 0.00 175.30 172.57 2rmx s VAL 62 N -1.98 3.55 -0.29 7.11 1.01 -1.26 -0.83 120.40 127.71 2rmx s VAL 62 Ca 0.70 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2rmx s VAL 62 Cb -0.21 -2.56 0.08 0.00 0.00 0.00 0.00 36.38 33.69 2rmx s VAL 62 CO 0.29 0.34 -0.03 -0.89 0.00 0.00 0.00 175.10 174.81 2rmx s THR 63 N -1.03 2.04 -0.41 3.92 2.01 0.65 -4.93 115.64 117.89 2rmx s THR 63 Ca 0.18 -1.83 -0.18 0.00 0.31 0.00 0.00 61.69 60.18 2rmx s THR 63 Cb -0.11 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.09 2rmx s THR 63 CO 0.09 -0.29 0.47 -1.00 -0.69 0.00 0.00 174.62 173.20 2rmx s HIS 64 N 1.10 3.16 -0.18 4.92 3.76 -1.26 -2.08 115.29 124.71 2rmx s HIS 64 Ca -0.00 -0.22 -0.00 0.00 -0.15 0.00 0.00 55.06 54.69 2rmx s HIS 64 Cb -0.19 -2.94 0.01 0.00 1.11 0.00 0.00 32.58 30.56 2rmx s HIS 64 CO -0.07 -0.68 -0.15 0.42 -0.85 0.00 0.00 174.74 173.41 2rmx s ILE 65 N 2.26 2.59 0.19 0.60 1.01 0.26 -4.99 121.20 123.13 2rmx s ILE 65 Ca 0.14 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2rmx s ILE 65 Cb -0.16 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.10 2rmx s ILE 65 CO 0.14 0.50 1.39 -0.54 0.00 0.00 0.00 174.94 176.44 2rmx s LYS 66 N 1.17 4.32 -0.62 2.79 1.02 -1.26 -0.87 119.74 126.29 2rmx s LYS 66 Ca 0.01 2.17 -0.08 0.00 0.02 0.00 0.00 55.97 58.09 2rmx s LYS 66 Cb -0.14 -3.17 0.16 0.00 -0.52 0.00 0.00 37.83 34.15 2rmx s LYS 66 CO -0.06 -0.38 0.49 0.08 -0.92 0.00 0.00 175.35 174.56 2rmx s VAL 67 N 0.39 4.38 1.15 3.17 1.01 0.70 -4.68 120.40 126.51 2rmx s VAL 67 Ca 0.61 -2.40 -0.15 0.00 0.00 0.00 0.00 61.98 60.04 2rmx s VAL 67 Cb -0.39 -3.82 0.22 0.00 0.00 0.00 0.00 36.38 32.39 2rmx s VAL 67 CO 0.37 -0.88 0.66 0.23 0.00 0.00 0.00 175.10 175.48 2rmx n MET 68 N 4.14 -2.10 -3.62 2.72 2.81 -0.75 -1.98 117.12 118.33 2rmx n MET 68 Ca 0.03 -0.59 -0.22 0.00 -1.81 0.00 0.00 57.70 55.12 2rmx n MET 68 Cb 0.41 -2.00 -0.17 0.00 -0.71 0.00 0.00 33.22 30.75 2rmx n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rmx s GLU 70 N 2.20 3.59 -1.00 0.00 2.02 -0.94 -4.74 118.70 119.82 2rmx s GLU 70 Ca 0.04 -3.23 -0.05 0.00 0.02 0.00 0.00 54.97 51.74 2rmx s GLU 70 Cb -0.14 -4.17 -0.06 0.00 0.10 0.00 0.00 34.13 29.86 2rmx s GLU 70 CO -0.07 -1.26 0.87 0.41 0.02 0.00 0.00 175.26 175.24 2rmx n GLY 71 N 2.51 -1.02 1.44 -1.39 0.00 -1.26 -3.12 105.19 102.35 2rmx n GLY 71 Ca 0.22 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.24 2.42 3.58 -0.02 0.00 -1.26 -5.01 105.19 103.66 2rmx n GLY 72 Ca -0.08 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.48 -0.02 1.61 0.52 -1.18 -4.71 118.95 114.69 2rmx s ARG 73 Ca 0.00 0.52 -0.03 0.00 -0.52 0.00 0.00 55.73 55.70 2rmx s ARG 73 Cb 0.00 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2rmx s ARG 73 CO 0.00 -3.35 0.07 0.71 0.02 0.00 0.00 175.30 172.75 2rmx s TYR 74 N -2.76 -0.02 0.18 -0.53 2.02 -0.96 -2.23 117.35 113.07 2rmx s TYR 74 Ca 0.67 0.05 -0.13 0.00 -0.37 0.00 0.00 57.07 57.29 2rmx s TYR 74 Cb -0.20 -0.01 0.01 0.00 -0.40 0.00 0.00 41.96 41.36 2rmx s TYR 74 CO 0.60 -0.10 0.41 -0.08 -1.57 0.00 0.00 175.55 174.81 2rmx s THR 75 N -0.38 0.04 -0.54 -0.71 -1.32 -1.16 -1.11 115.64 110.46 2rmx s THR 75 Ca -0.04 -1.09 0.04 0.00 -1.21 0.00 0.00 61.69 59.38 2rmx s THR 75 Cb -0.03 -1.73 0.15 0.00 -1.51 0.00 0.00 72.50 69.38 2rmx s THR 75 CO 0.00 -0.20 0.33 0.68 -2.21 0.00 0.00 174.62 173.22 2rmx s VAL 76 N -3.92 2.12 0.00 5.08 -7.23 -1.26 -1.81 120.40 113.37 2rmx s VAL 76 Ca 0.13 -3.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.00 2rmx s VAL 76 Cb 0.01 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2rmx s VAL 76 CO -0.01 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2rmx n GLY 77 N 2.90 1.36 3.40 2.32 0.00 -1.26 -4.90 105.19 109.00 2rmx n GLY 77 Ca 0.12 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.35 0.10 -0.02 0.00 -1.26 -4.89 105.19 96.77 2rmx n GLY 78 Ca 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.38 0.70 -4.19 0.99 4.77 -1.26 -4.87 117.00 108.76 2rmx n LEU 79 Ca 0.02 0.59 -0.32 0.00 -0.03 0.00 0.00 56.01 56.27 2rmx n LEU 79 Cb 0.56 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 2rmx n LEU 79 CO 0.55 -0.27 -0.84 -0.62 -1.33 0.00 0.00 177.39 174.88 2rmx n GLU 80 N -2.18 -1.35 -3.72 3.23 1.02 -1.26 -5.04 120.64 111.33 2rmx n GLU 80 Ca 0.05 -0.38 -0.09 0.00 -0.02 0.00 0.00 57.16 56.71 2rmx n GLU 80 Cb 0.37 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.17 0.01 -0.04 2.62 -4.23 -1.26 -4.53 115.64 106.05 2rmx s THR 81 Ca 0.50 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 60.18 2rmx s THR 81 Cb -0.06 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.19 2rmx s THR 81 CO 0.63 -0.07 0.22 -0.36 -0.54 0.00 0.00 174.62 174.50 2rmx s PHE 82 N -3.87 -0.14 0.48 3.99 0.08 -0.27 -4.91 117.98 113.34 2rmx s PHE 82 Ca 0.09 0.29 0.22 0.00 0.12 0.00 0.00 56.93 57.65 2rmx s PHE 82 Cb -0.02 0.05 1.26 0.00 -0.57 0.00 0.00 43.02 43.73 2rmx s PHE 82 CO -0.02 -0.24 1.93 -0.44 -0.10 0.00 0.00 175.22 176.35 2rmx h ASP 83 N 4.81 0.19 -5.74 1.36 5.19 -1.92 -2.54 116.42 117.77 2rmx h ASP 83 Ca -0.28 0.01 0.31 0.00 -0.62 0.00 0.00 57.03 56.45 2rmx h ASP 83 Cb 1.19 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.59 2rmx h ASP 83 CO 0.38 0.09 0.82 -0.55 -3.12 0.00 0.00 179.24 176.86 2rmx s SER 84 N -5.92 -0.02 0.49 6.45 0.15 -1.26 -4.66 113.70 108.92 2rmx s SER 84 Ca -0.06 -0.25 0.35 0.00 0.70 0.00 0.00 55.95 56.69 2rmx s SER 84 Cb 0.21 0.21 1.49 0.00 -1.71 0.00 0.00 66.02 66.21 2rmx s SER 84 CO 0.76 -0.41 1.69 -0.07 1.20 0.00 0.00 173.24 176.41 2rmx h LEU 85 N 2.00 0.15 0.71 3.45 -0.00 -1.92 0.30 115.31 120.00 2rmx h LEU 85 Ca -0.26 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.64 2rmx h LEU 85 Cb 1.20 0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2rmx h LEU 85 CO 0.31 -0.05 -0.34 0.74 -0.00 0.00 0.00 178.44 179.10 2rmx h THR 86 N 0.09 0.11 -1.01 0.22 2.02 -1.97 0.21 112.91 112.59 2rmx h THR 86 Ca 0.74 -0.26 0.13 0.00 0.77 0.00 0.00 66.41 67.80 2rmx h THR 86 Cb 2.61 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 69.07 2rmx h THR 86 CO -0.19 0.01 0.63 0.44 0.37 0.00 0.00 175.52 176.78 2rmx h ASP 87 N -1.19 0.91 0.58 4.18 5.19 -1.36 0.40 116.42 125.13 2rmx h ASP 87 Ca -0.10 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 2rmx h ASP 87 Cb 0.76 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.15 2rmx h ASP 87 CO 0.16 0.46 -0.28 0.25 -3.12 0.00 0.00 179.24 176.71 2rmx h LEU 88 N 0.96 -0.66 0.49 1.55 6.46 -1.22 -2.34 115.31 120.55 2rmx h LEU 88 Ca 0.51 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.26 2rmx h LEU 88 Cb 0.56 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2rmx h LEU 88 CO -0.28 -0.26 -0.32 0.58 -0.62 0.00 0.00 178.44 177.53 2rmx h VAL 89 N -1.19 0.00 -0.83 1.05 2.07 -0.31 -0.84 116.25 116.20 2rmx h VAL 89 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2rmx h VAL 89 Cb 0.61 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.25 2rmx h VAL 89 CO 0.13 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.97 2rmx h GLU 90 N -0.76 -0.08 -0.05 1.57 4.39 -0.36 1.73 114.58 121.02 2rmx h GLU 90 Ca -0.06 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2rmx h GLU 90 Cb 0.62 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2rmx h GLU 90 CO 0.05 -0.05 0.06 1.25 -1.16 0.00 0.00 179.01 179.15 2rmx h HIS 91 N -0.08 0.00 0.00 4.33 2.76 -1.33 0.71 115.15 121.54 2rmx h HIS 91 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 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 -0.82 0.00 -0.95 1.19 -1.30 0.00 0.00 177.93 176.05 2rmx n PHE 92 N -3.85 0.27 0.34 5.26 3.72 0.49 -3.14 117.46 120.54 2rmx n PHE 92 Ca -0.02 0.08 0.14 0.00 -0.05 0.00 0.00 57.45 57.60 2rmx n PHE 92 Cb 0.15 -0.43 0.47 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.40 0.90 116.57 118.36 2rmx h LYS 93 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2rmx h LYS 93 Cb 0.71 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 2rmx h LYS 93 CO 0.00 0.00 -2.07 0.36 -0.57 0.00 0.00 179.45 177.17 2rmx n LYS 94 N -2.80 0.44 -0.08 3.15 2.85 -1.18 -4.56 118.16 115.98 2rmx n LYS 94 Ca 0.03 0.14 -0.15 0.00 -1.05 0.00 0.00 58.31 57.28 2rmx n LYS 94 Cb 0.37 -1.30 -0.11 0.00 -0.65 0.00 0.00 35.03 33.34 2rmx n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2rmx h THR 95 N -0.29 1.37 0.00 0.58 1.35 -1.64 -3.51 112.91 110.76 2rmx h THR 95 Ca -0.45 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 2rmx h THR 95 Cb 1.55 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.69 2rmx h THR 95 CO -0.16 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2rmx n GLY 96 N 1.58 1.17 3.39 5.82 0.00 0.31 -5.02 105.19 112.44 2rmx n GLY 96 Ca -0.15 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.94 2.74 -0.16 -0.61 1.01 -0.86 -4.89 121.20 116.49 2rmx s ILE 97 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2rmx s ILE 97 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2rmx s ILE 97 CO 0.00 0.57 0.06 -0.70 0.00 0.00 0.00 174.94 174.86 2rmx s GLU 98 N -0.31 3.75 0.35 2.79 2.12 -1.26 -0.88 118.70 125.25 2rmx s GLU 98 Ca 0.02 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.08 2rmx s GLU 98 Cb -0.13 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 2rmx s GLU 98 CO 0.03 0.40 0.48 -1.21 -0.54 0.00 0.00 175.26 174.42 2rmx s GLU 99 N 0.01 3.09 -0.00 4.30 0.41 0.23 -5.01 118.70 121.72 2rmx s GLU 99 Ca 0.06 -1.03 -0.18 0.00 -0.41 0.00 0.00 54.97 53.40 2rmx s GLU 99 Cb -0.12 -2.81 -0.10 0.00 -1.78 0.00 0.00 34.13 29.31 2rmx s GLU 99 CO 0.01 0.02 0.87 0.00 -0.49 0.00 0.00 175.26 175.67 2rmx h ALA 100 N 0.86 -0.77 -0.76 5.21 0.00 -2.00 -3.25 119.26 118.55 2rmx h ALA 100 Ca -0.45 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.49 2rmx h ALA 100 Cb 1.26 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 2rmx h ALA 100 CO 0.52 -0.72 -0.08 0.45 0.00 0.00 0.00 179.25 179.41 2rmx n SER 101 N -4.73 -0.18 0.00 0.00 2.88 -1.26 -4.68 113.62 105.65 2rmx n SER 101 Ca -0.08 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2rmx n SER 101 Cb 0.26 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2rmx n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rmx n GLY 102 N -1.43 0.39 3.57 0.46 0.00 -1.23 -5.16 105.19 101.80 2rmx n GLY 102 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.40 2.97 -0.20 4.61 0.00 -1.26 -4.97 121.76 122.51 2rmx s ALA 103 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.41 2rmx s ALA 103 Cb 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.47 2rmx s ALA 103 CO 0.00 0.40 -0.09 -0.06 0.00 0.00 0.00 175.76 176.01 2rmx s PHE 104 N -1.92 2.35 0.01 0.00 0.40 -1.26 -0.60 117.98 116.95 2rmx s PHE 104 Ca 0.27 -1.57 -0.27 0.00 -0.60 0.00 0.00 56.93 54.75 2rmx s PHE 104 Cb -0.08 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2rmx s PHE 104 CO 0.16 -0.74 0.86 0.08 0.70 0.00 0.00 175.22 176.28 2rmx s VAL 105 N 1.42 4.83 -0.08 -0.44 1.01 -0.06 -4.93 120.40 122.14 2rmx s VAL 105 Ca -0.02 1.81 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2rmx s VAL 105 Cb -0.17 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2rmx s VAL 105 CO -0.08 0.25 -0.19 -0.31 0.00 0.00 0.00 175.10 174.77 2rmx s TYR 106 N 0.58 2.62 -0.83 5.22 2.02 -1.26 -2.04 117.35 123.65 2rmx s TYR 106 Ca 0.45 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2rmx s TYR 106 Cb -0.20 -1.70 0.24 0.00 -0.40 0.00 0.00 41.96 39.90 2rmx s TYR 106 CO 0.25 -0.18 0.88 1.28 -1.57 0.00 0.00 175.55 176.21 2rmx n LEU 107 N 3.10 4.37 -0.04 -1.29 4.32 -1.26 -4.16 117.00 122.04 2rmx n LEU 107 Ca -0.18 -5.27 -0.14 0.00 -0.02 0.00 0.00 56.01 50.41 2rmx n LEU 107 Cb 0.52 -0.95 -0.12 0.00 -1.62 0.00 0.00 43.42 41.25 2rmx n LEU 107 CO 0.27 1.78 0.47 0.03 -1.22 0.00 0.00 177.39 178.72 2rmx h ARG 108 N 5.20 0.03 -4.34 3.23 3.08 -1.73 -3.41 114.38 116.44 2rmx h ARG 108 Ca 0.18 -0.03 -0.33 0.00 0.07 0.00 0.00 59.98 59.87 2rmx h ARG 108 Cb 0.71 0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.49 2rmx h ARG 108 CO 0.93 0.82 -0.76 1.14 -1.07 0.00 0.00 179.97 181.03 2rmx s GLN 109 N -3.04 0.45 0.00 0.04 0.00 -1.21 -5.07 119.66 110.83 2rmx s GLN 109 Ca -0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 55.36 54.99 2rmx s GLN 109 Cb -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 33.01 32.57 2rmx s GLN 109 CO 0.69 0.12 0.00 -0.35 0.00 0.00 0.00 175.29 175.75 2rmx n PRO 110 N 2.94 0.25 -3.76 9.60 -0.04 -1.26 -2.57 135.00 140.16 2rmx n PRO 110 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.08 2rmx n PRO 110 Cb 0.58 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.37 0.86 -0.23 0.54 5.04 -0.81 -4.54 117.35 117.84 2rmx s TYR 111 Ca 0.00 -0.48 -0.10 0.00 -2.44 0.00 0.00 57.07 54.05 2rmx s TYR 111 Cb 0.00 -0.92 -0.05 0.00 0.35 0.00 0.00 41.96 41.34 2rmx s TYR 111 CO 0.00 -0.46 0.14 0.71 -1.34 0.00 0.00 175.55 174.61 2rmx s TYR 112 N 1.91 3.31 -0.94 4.97 2.02 -1.26 -4.84 117.35 122.52 2rmx s TYR 112 Ca 0.03 0.20 -0.18 0.00 -0.37 0.00 0.00 57.07 56.75 2rmx s TYR 112 Cb -0.14 -2.24 0.14 0.00 -0.40 0.00 0.00 41.96 39.32 2rmx s TYR 112 CO -0.07 0.09 1.12 -1.12 -1.57 0.00 0.00 175.55 174.00 2rmx s SER 113 N 0.93 6.68 0.39 2.29 0.01 -1.26 -4.95 113.70 117.79 2rmx s SER 113 Ca 0.07 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.14 2rmx s SER 113 Cb -0.13 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2rmx s SER 113 CO 0.03 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2rmx n GLY 114 N 5.24 -1.70 3.66 3.44 0.00 -1.26 -4.86 105.19 109.70 2rmx n GLY 114 Ca 0.24 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2rmx n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rmx s PRO 115 N -1.94 0.05 0.42 1.61 0.04 -1.26 -5.08 135.00 128.85 2rmx s PRO 115 Ca 0.00 0.40 0.08 0.00 0.04 0.00 0.00 61.00 61.51 2rmx s PRO 115 Cb 0.00 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 2rmx s PRO 115 CO 0.00 -2.96 0.37 -1.12 0.04 0.00 0.00 177.00 173.33 2rmx s SER 116 N -3.51 5.01 -0.19 6.66 0.01 -1.26 -5.12 113.70 115.30 2rmx s SER 116 Ca 0.66 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2rmx s SER 116 Cb -0.17 -0.54 0.04 0.00 0.21 0.00 0.00 66.02 65.55 2rmx s SER 116 CO 0.58 -0.66 -0.13 -0.94 0.41 0.00 0.00 173.24 172.49 2rmx s SER 117 N -4.13 3.32 0.00 2.44 1.04 -1.26 -5.19 113.70 109.93 2rmx s SER 117 Ca 0.48 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2rmx s SER 117 Cb -0.03 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2rmx s SER 117 CO 0.28 -0.11 0.03 0.61 0.98 0.00 0.00 173.24 175.03