#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 7.41 -0.02 1.61 1.04 -1.26 -5.03 113.70 117.44 2rmx s SER 2 Ca 0.00 1.69 -0.20 0.00 0.48 0.00 0.00 55.95 57.92 2rmx s SER 2 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2rmx s SER 2 CO 0.00 -0.11 0.58 -0.44 0.98 0.00 0.00 173.24 174.25 2rmx s SER 3 N 0.30 6.94 0.00 7.02 0.01 -1.26 -5.00 113.70 121.71 2rmx s SER 3 Ca 0.47 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.85 2rmx s SER 3 Cb -0.22 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2rmx s SER 3 CO 0.28 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2rmx n GLY 4 N 2.54 0.11 3.70 3.44 0.00 -1.26 -5.02 105.19 108.70 2rmx n GLY 4 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2rmx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rmx s SER 5 N 0.30 6.87 -0.93 1.61 0.01 -1.26 -4.96 113.70 115.35 2rmx s SER 5 Ca 0.00 2.14 -0.18 0.00 1.31 0.00 0.00 55.95 59.22 2rmx s SER 5 Cb 0.00 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.80 2rmx s SER 5 CO 0.00 -0.68 1.10 -0.44 0.41 0.00 0.00 173.24 173.63 2rmx s SER 6 N 1.64 6.66 0.00 2.44 0.01 -1.26 -4.97 113.70 118.21 2rmx s SER 6 Ca 0.63 -2.14 0.00 0.00 1.31 0.00 0.00 55.95 55.75 2rmx s SER 6 Cb -0.32 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2rmx s SER 6 CO 0.27 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2rmx n GLY 7 N 5.29 1.83 0.39 3.44 0.00 -1.26 -5.03 105.19 109.86 2rmx n GLY 7 Ca 0.23 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -3.42 1.61 -0.00 -1.26 -4.82 117.44 109.55 2rmx n TRP 8 Ca 0.00 -1.27 -0.40 0.00 -0.00 0.00 0.00 57.50 55.82 2rmx n TRP 8 Cb 0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 31.31 31.01 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 -3.04 3.22 -0.79 -2.67 5.04 -1.26 0.24 117.35 118.08 2rmx s TYR 9 Ca 0.35 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 55.04 2rmx s TYR 9 Cb 0.33 -2.63 0.24 0.00 0.35 0.00 0.00 41.96 40.25 2rmx s TYR 9 CO -0.03 -0.38 0.85 0.72 -1.34 0.00 0.00 175.55 175.37 2rmx n HIS 10 N 5.34 3.50 -0.90 4.97 8.25 0.77 -4.98 115.22 132.17 2rmx n HIS 10 Ca -0.09 -3.90 -0.29 0.00 -0.26 0.00 0.00 57.72 53.17 2rmx n HIS 10 Cb 0.50 -0.84 0.19 0.00 1.12 0.00 0.00 29.99 30.96 2rmx n HIS 10 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2rmx s GLY 11 N -1.63 1.59 -1.45 -1.41 0.00 -1.26 -3.67 107.32 99.50 2rmx s GLY 11 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 2rmx s GLY 11 CO -0.04 0.55 0.33 1.42 0.00 0.00 0.00 173.10 175.35 2rmx n HIS 12 N -4.34 -1.40 -4.40 1.90 8.25 -1.26 -4.96 115.22 109.01 2rmx n HIS 12 Ca 0.06 0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 57.54 2rmx n HIS 12 Cb 0.55 -3.91 -0.11 0.00 1.12 0.00 0.00 29.99 27.64 2rmx n HIS 12 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2rmx s MET 13 N -5.31 1.70 0.24 -0.41 0.00 -1.24 -5.12 119.30 109.15 2rmx s MET 13 Ca 0.16 -1.52 0.08 0.00 0.00 0.00 0.00 55.69 54.41 2rmx s MET 13 Cb -0.07 -1.91 -0.04 0.00 0.00 0.00 0.00 34.83 32.81 2rmx s MET 13 CO 0.20 0.39 0.10 -1.12 0.00 0.00 0.00 175.02 174.59 2rmx s SER 14 N -2.93 5.11 0.00 1.11 0.01 -1.26 -4.74 113.70 110.99 2rmx s SER 14 Ca 0.24 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2rmx s SER 14 Cb -0.07 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.98 2rmx s SER 14 CO 0.12 0.00 0.98 0.61 0.41 0.00 0.00 173.24 175.37 2rmx n GLY 15 N -0.86 -2.72 0.45 3.44 0.00 -1.26 -1.59 105.19 102.66 2rmx n GLY 15 Ca -0.08 0.22 0.23 0.00 0.00 0.00 0.00 46.02 46.39 2rmx n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rmx h GLY 16 N 0.00 0.00 0.44 -0.02 0.00 -2.02 -1.25 103.07 100.22 2rmx h GLY 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2rmx h GLY 16 CO 0.00 0.00 -0.21 -1.61 0.00 0.00 0.00 176.54 174.72 2rmx h GLN 17 N 0.00 -0.57 -0.83 4.80 5.75 -1.70 -3.24 115.11 119.31 2rmx h GLN 17 Ca 0.33 0.04 0.23 0.00 -0.15 0.00 0.00 58.65 59.09 2rmx h GLN 17 Cb 2.01 0.13 -0.15 0.00 1.07 0.00 0.00 27.48 30.53 2rmx h GLN 17 CO -0.00 -0.38 0.01 0.00 -2.65 0.00 0.00 178.83 175.81 2rmx n ALA 18 N -2.54 0.42 -0.21 3.38 0.00 -0.48 0.15 120.51 121.23 2rmx n ALA 18 Ca -0.07 0.89 0.02 0.00 0.00 0.00 0.00 53.44 54.27 2rmx n ALA 18 Cb 0.23 -0.65 0.13 0.00 0.00 0.00 0.00 19.45 19.16 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 0.21 0.78 0.00 5.08 -1.58 0.21 114.58 119.28 2rmx h GLU 19 Ca 0.50 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.81 2rmx h GLU 19 Cb 1.03 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.24 2rmx h GLU 19 CO -0.78 0.14 -0.38 1.15 -1.00 0.00 0.00 179.01 178.14 2rmx h THR 20 N 0.22 0.00 -0.76 1.13 2.02 0.13 0.25 112.91 115.88 2rmx h THR 20 Ca 0.35 -0.14 0.17 0.00 0.77 0.00 0.00 66.41 67.56 2rmx h THR 20 Cb 0.55 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 2rmx h THR 20 CO -0.47 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.55 2rmx h LEU 21 N -1.19 0.04 0.58 2.58 4.07 -1.13 0.34 115.31 120.61 2rmx h LEU 21 Ca -0.11 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 2rmx h LEU 21 Cb 0.81 0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.75 2rmx h LEU 21 CO 0.18 -0.04 -0.28 -0.07 -1.08 0.00 0.00 178.44 177.15 2rmx h LEU 22 N 0.28 -0.67 -0.23 1.67 3.38 -0.55 -3.01 115.31 116.19 2rmx h LEU 22 Ca 0.44 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.48 2rmx h LEU 22 Cb 0.77 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 2rmx h LEU 22 CO -0.52 -0.35 -0.47 1.56 0.09 0.00 0.00 178.44 178.75 2rmx h GLN 23 N -1.03 -0.45 -0.99 1.13 4.20 -0.10 -0.04 115.11 117.83 2rmx h GLN 23 Ca -0.08 0.03 0.37 0.00 0.06 0.00 0.00 58.65 59.03 2rmx h GLN 23 Cb 0.60 0.10 -0.17 0.00 0.30 0.00 0.00 27.48 28.31 2rmx h GLN 23 CO 0.13 -0.30 0.44 0.00 -0.67 0.00 0.00 178.83 178.44 2rmx h ALA 24 N 0.09 1.93 -0.81 3.87 0.00 -0.42 1.08 119.26 125.00 2rmx h ALA 24 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2rmx h ALA 24 Cb 0.63 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2rmx h ALA 24 CO -0.47 -0.81 0.51 -0.22 0.00 0.00 0.00 179.25 178.25 2rmx h LYS 25 N 0.06 1.08 0.00 0.00 1.63 -0.86 -3.46 116.57 115.02 2rmx h LYS 25 Ca 0.78 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 2rmx h LYS 25 Cb 1.94 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 2rmx h LYS 25 CO -0.77 0.74 0.00 0.41 -3.45 0.00 0.00 179.45 176.38 2rmx n GLY 26 N -1.25 0.31 3.62 5.01 0.00 0.37 -4.97 105.19 108.27 2rmx n GLY 26 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.84 4.10 0.36 1.61 2.02 -1.26 -4.96 118.70 119.72 2rmx s GLU 27 Ca 0.00 0.43 -0.27 0.00 0.02 0.00 0.00 54.97 55.15 2rmx s GLU 27 Cb 0.00 -3.64 -0.09 0.00 0.10 0.00 0.00 34.13 30.49 2rmx s GLU 27 CO 0.00 -0.37 1.21 -1.25 0.02 0.00 0.00 175.26 174.87 2rmx s PRO 28 N 2.35 4.25 -0.80 0.39 0.04 -1.26 -3.22 135.00 136.75 2rmx s PRO 28 Ca 0.24 1.97 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 2rmx s PRO 28 Cb -0.16 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2rmx s PRO 28 CO 0.09 -0.19 0.03 0.91 0.04 0.00 0.00 177.00 177.88 2rmx n TRP 29 N 0.50 -0.50 -3.08 0.56 5.03 0.15 -4.79 117.44 115.31 2rmx n TRP 29 Ca 0.02 0.03 -0.44 0.00 3.03 0.00 0.00 57.50 60.13 2rmx n TRP 29 Cb 0.45 -2.38 -0.05 0.00 -1.03 0.00 0.00 31.31 28.30 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 -2.51 4.75 0.32 -0.99 2.01 -1.20 -2.08 115.64 115.94 2rmx s THR 30 Ca 0.02 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 2rmx s THR 30 Cb -0.01 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2rmx s THR 30 CO 0.02 -1.13 0.56 0.72 -0.69 0.00 0.00 174.62 174.10 2rmx s PHE 31 N 2.90 3.49 -0.28 4.92 -0.71 -1.15 -1.57 117.98 125.59 2rmx s PHE 31 Ca 0.14 0.52 -0.21 0.00 -1.04 0.00 0.00 56.93 56.34 2rmx s PHE 31 Cb -0.22 -2.02 0.08 0.00 -1.21 0.00 0.00 43.02 39.65 2rmx s PHE 31 CO 0.08 0.13 0.74 -0.48 -1.34 0.00 0.00 175.22 174.35 2rmx s LEU 32 N -3.93 -0.80 0.20 -1.99 0.05 -0.21 -2.44 118.68 109.57 2rmx s LEU 32 Ca 0.42 1.40 -0.07 0.00 0.05 0.00 0.00 54.13 55.94 2rmx s LEU 32 Cb -0.10 2.36 -0.06 0.00 -2.05 0.00 0.00 46.19 46.33 2rmx s LEU 32 CO 0.33 -0.23 0.47 -0.69 -0.55 0.00 0.00 176.35 175.69 2rmx s VAL 33 N 0.94 5.04 -0.22 1.48 1.01 0.14 -2.41 120.40 126.38 2rmx s VAL 33 Ca -0.04 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2rmx s VAL 33 Cb -0.05 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.79 2rmx s VAL 33 CO -0.09 -0.04 0.80 0.00 0.00 0.00 0.00 175.10 175.76 2rmx s ARG 34 N -2.80 0.80 0.96 2.72 1.70 -1.20 -0.16 118.95 120.96 2rmx s ARG 34 Ca 0.44 0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 56.30 2rmx s ARG 34 Cb -0.12 0.38 0.15 0.00 -0.57 0.00 0.00 34.95 34.80 2rmx s ARG 34 CO 0.23 -0.14 1.03 0.39 -1.08 0.00 0.00 175.30 175.73 2rmx n GLU 35 N 2.10 -0.72 -3.63 3.89 1.02 -1.26 -2.75 120.64 119.28 2rmx n GLU 35 Ca -0.14 -0.15 -0.37 0.00 -0.02 0.00 0.00 57.16 56.47 2rmx n GLU 35 Cb 0.56 -2.28 -0.07 0.00 -0.02 0.00 0.00 31.44 29.63 2rmx n GLU 35 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2rmx s SER 36 N -2.52 5.85 0.08 1.62 1.04 -1.24 -4.70 113.70 113.83 2rmx s SER 36 Ca 0.66 -3.40 -0.16 0.00 0.48 0.00 0.00 55.95 53.53 2rmx s SER 36 Cb -0.23 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2rmx s SER 36 CO 0.60 -0.26 1.23 0.18 0.98 0.00 0.00 173.24 175.97 2rmx n LEU 37 N 2.78 -0.56 0.00 2.42 4.77 -1.26 -2.20 117.00 122.95 2rmx n LEU 37 Ca 0.17 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.51 2rmx n LEU 37 Cb 0.38 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2rmx n LEU 37 CO 0.36 -0.97 0.30 -1.20 -1.33 0.00 0.00 177.39 174.55 2rmx n SER 38 N -4.19 0.00 -4.54 -1.43 7.64 -1.26 -3.75 113.62 106.10 2rmx n SER 38 Ca 0.01 0.61 -0.43 0.00 1.01 0.00 0.00 58.87 60.07 2rmx n SER 38 Cb 0.14 -0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 2rmx n SER 38 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2rmx s GLN 39 N -2.00 3.39 -0.28 1.43 2.00 -0.93 -5.01 119.66 118.27 2rmx s GLN 39 Ca 0.00 -0.14 -0.29 0.00 -2.00 0.00 0.00 55.36 52.94 2rmx s GLN 39 Cb 0.00 -3.97 -0.02 0.00 0.80 0.00 0.00 33.01 29.83 2rmx s GLN 39 CO 0.00 -1.20 1.65 -1.25 -0.50 0.00 0.00 175.29 173.99 2rmx s PRO 40 N 3.44 3.62 0.00 1.67 0.04 -1.25 -3.24 135.00 139.29 2rmx s PRO 40 Ca 0.30 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2rmx s PRO 40 Cb -0.12 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2rmx s PRO 40 CO 0.22 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2rmx n GLY 41 N 4.96 3.50 3.39 0.56 0.00 -1.26 -5.09 105.19 111.25 2rmx n GLY 41 Ca 0.20 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2rmx n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rmx n ASP 42 N 0.00 -2.57 -3.97 1.61 9.92 -1.20 -4.97 116.55 115.37 2rmx n ASP 42 Ca 0.00 -1.10 -0.15 0.00 -0.53 0.00 0.00 54.79 53.02 2rmx n ASP 42 Cb 0.00 -0.99 -0.09 0.00 -0.64 0.00 0.00 41.12 39.39 2rmx n ASP 42 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2rmx s PHE 43 N -2.76 1.36 0.02 1.24 0.40 -0.94 -3.71 117.98 113.60 2rmx s PHE 43 Ca 0.69 -1.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 2rmx s PHE 43 Cb -0.08 -0.64 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 2rmx s PHE 43 CO 0.54 -0.68 -0.04 0.08 0.70 0.00 0.00 175.22 175.83 2rmx s VAL 44 N -3.92 0.20 -0.15 -0.44 1.01 -1.11 0.02 120.40 116.01 2rmx s VAL 44 Ca 0.39 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2rmx s VAL 44 Cb 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2rmx s VAL 44 CO 0.17 -0.36 -0.18 -0.22 0.00 0.00 0.00 175.10 174.51 2rmx s LEU 45 N -1.16 1.93 0.04 3.92 2.96 0.14 -3.22 118.68 123.29 2rmx s LEU 45 Ca -0.11 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.29 2rmx s LEU 45 Cb -0.08 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2rmx s LEU 45 CO -0.01 -0.00 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.49 2rmx s SER 46 N 1.23 4.41 -0.13 3.68 0.01 -1.01 -0.44 113.70 121.45 2rmx s SER 46 Ca 0.01 -0.26 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 2rmx s SER 46 Cb -0.14 -0.92 0.04 0.00 0.21 0.00 0.00 66.02 65.21 2rmx s SER 46 CO -0.09 0.25 0.32 -0.69 0.41 0.00 0.00 173.24 173.44 2rmx s VAL 47 N -1.05 -0.02 -0.71 3.43 1.01 -0.60 -1.04 120.40 121.42 2rmx s VAL 47 Ca 0.18 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 2rmx s VAL 47 Cb -0.11 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 35.89 2rmx s VAL 47 CO 0.09 0.03 0.94 -0.22 0.00 0.00 0.00 175.10 175.94 2rmx s LEU 48 N 0.88 4.81 0.80 3.92 2.96 -0.61 -0.47 118.68 130.97 2rmx s LEU 48 Ca -0.06 -1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 52.34 2rmx s LEU 48 Cb -0.07 -2.39 0.08 0.00 0.50 0.00 0.00 46.19 44.32 2rmx s LEU 48 CO -0.06 -1.27 1.21 -0.94 -1.32 0.00 0.00 176.35 173.97 2rmx s SER 49 N 3.64 3.61 0.00 3.68 1.04 -0.05 0.33 113.70 125.96 2rmx s SER 49 Ca 0.22 2.38 0.24 0.00 0.48 0.00 0.00 55.95 59.26 2rmx s SER 49 Cb -0.15 -2.59 1.41 0.00 0.10 0.00 0.00 66.02 64.78 2rmx s SER 49 CO 0.04 -2.66 1.81 -0.67 0.98 0.00 0.00 173.24 172.75 2rmx n ASP 50 N -3.27 0.00 -4.59 7.02 2.03 -1.26 -3.92 116.55 112.56 2rmx n ASP 50 Ca 0.14 -0.93 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 2rmx n ASP 50 Cb 0.50 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 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 3.82 0.38 -0.67 -0.21 -1.26 -4.96 119.66 114.76 2rmx s GLN 51 Ca 0.35 0.28 -0.26 0.00 0.02 0.00 0.00 55.36 55.75 2rmx s GLN 51 Cb 0.16 -3.76 -0.09 0.00 1.00 0.00 0.00 33.01 30.32 2rmx s GLN 51 CO 0.27 -0.69 1.20 -1.25 -2.12 0.00 0.00 175.29 172.70 2rmx s PRO 52 N 2.79 4.15 0.19 2.91 0.04 -1.26 -0.85 135.00 142.96 2rmx s PRO 52 Ca 0.27 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 2rmx s PRO 52 Cb -0.14 -2.80 0.16 0.00 0.04 0.00 0.00 34.50 31.76 2rmx s PRO 52 CO 0.14 -0.27 1.64 0.87 0.04 0.00 0.00 177.00 179.42 2rmx h LYS 53 N 2.87 -0.01 0.00 4.56 1.57 -1.79 -3.38 116.57 120.38 2rmx h LYS 53 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2rmx h LYS 53 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2rmx h LYS 53 CO 0.63 -0.01 -0.87 0.00 -0.57 0.00 0.00 179.45 178.63 2rmx n ALA 54 N -2.90 3.00 -2.96 3.86 0.00 -1.26 -5.06 120.51 115.19 2rmx n ALA 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2rmx n ALA 54 Cb 0.28 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 2.98 1.25 3.56 0.00 0.00 -1.26 -5.04 105.19 106.67 2rmx n GLY 55 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 2.91 2.56 0.00 1.61 0.04 -1.26 -2.65 135.00 138.21 2rmx s PRO 56 Ca 0.00 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.88 2rmx s PRO 56 Cb 0.00 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.57 2rmx s PRO 56 CO 0.00 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.15 2rmx n GLY 57 N 6.69 1.93 3.82 0.56 0.00 -1.26 -5.14 105.19 111.79 2rmx n GLY 57 Ca 0.37 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 6.31 -0.13 1.61 1.04 -1.08 -4.98 113.70 116.47 2rmx s SER 58 Ca 0.00 1.74 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 2rmx s SER 58 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2rmx s SER 58 CO 0.00 -0.80 1.55 -2.16 0.98 0.00 0.00 173.24 172.81 2rmx s PRO 59 N -3.81 4.08 0.42 4.02 0.04 -1.26 -4.51 135.00 133.98 2rmx s PRO 59 Ca 0.62 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 2rmx s PRO 59 Cb -0.13 -3.95 -0.11 0.00 0.04 0.00 0.00 34.50 30.35 2rmx s PRO 59 CO 0.29 -0.94 -0.16 1.28 0.04 0.00 0.00 177.00 177.51 2rmx n LEU 60 N 7.38 -2.94 -4.78 -3.56 4.77 -1.26 -3.65 117.00 112.97 2rmx n LEU 60 Ca 0.17 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.21 2rmx n LEU 60 Cb 0.44 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2rmx n LEU 60 CO 0.61 -3.64 0.78 -0.60 -1.33 0.00 0.00 177.39 173.21 2rmx s ARG 61 N -0.84 4.05 -0.18 3.23 6.06 -0.03 -4.72 118.95 126.52 2rmx s ARG 61 Ca 0.40 1.65 -0.03 0.00 -2.50 0.00 0.00 55.73 55.25 2rmx s ARG 61 Cb -0.33 -2.55 -0.02 0.00 0.06 0.00 0.00 34.95 32.11 2rmx s ARG 61 CO 0.50 -0.27 -0.06 0.08 -2.50 0.00 0.00 175.30 173.05 2rmx s VAL 62 N -1.56 3.49 -0.27 7.11 1.01 -1.26 -0.87 120.40 128.05 2rmx s VAL 62 Ca 0.59 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 2rmx s VAL 62 Cb -0.26 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2rmx s VAL 62 CO 0.32 0.46 0.13 -0.89 0.00 0.00 0.00 175.10 175.12 2rmx s THR 63 N 0.88 4.71 -0.31 3.92 2.01 0.38 -4.94 115.64 122.28 2rmx s THR 63 Ca -0.01 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2rmx s THR 63 Cb -0.15 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2rmx s THR 63 CO 0.01 0.25 0.14 -1.00 -0.69 0.00 0.00 174.62 173.33 2rmx s HIS 64 N 1.66 3.18 -0.21 4.92 3.76 -1.26 -1.56 115.29 125.78 2rmx s HIS 64 Ca 0.06 -0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 54.20 2rmx s HIS 64 Cb -0.16 -2.33 0.01 0.00 1.11 0.00 0.00 32.58 31.21 2rmx s HIS 64 CO 0.07 -0.52 -0.11 0.42 -0.85 0.00 0.00 174.74 173.75 2rmx s ILE 65 N 1.57 2.74 0.46 0.60 1.01 0.41 -4.98 121.20 123.02 2rmx s ILE 65 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 2rmx s ILE 65 Cb -0.17 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.96 2rmx s ILE 65 CO 0.05 0.41 1.33 -0.54 0.00 0.00 0.00 174.94 176.19 2rmx s LYS 66 N 1.37 3.64 -0.31 2.79 1.02 -1.26 -0.68 119.74 126.31 2rmx s LYS 66 Ca 0.04 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.22 2rmx s LYS 66 Cb -0.14 -2.55 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2rmx s LYS 66 CO -0.07 -0.77 -0.00 0.08 -0.92 0.00 0.00 175.35 173.67 2rmx s VAL 67 N -1.30 2.72 0.56 3.17 1.01 0.10 -4.79 120.40 121.88 2rmx s VAL 67 Ca 0.63 -1.65 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 2rmx s VAL 67 Cb -0.39 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2rmx s VAL 67 CO 0.48 -0.21 1.05 -0.04 0.00 0.00 0.00 175.10 176.38 2rmx s MET 68 N 1.16 3.50 -0.05 2.72 -1.94 -0.54 -2.21 119.30 121.94 2rmx s MET 68 Ca -0.03 1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 55.16 2rmx s MET 68 Cb -0.20 -2.06 0.03 0.00 2.01 0.00 0.00 34.83 34.61 2rmx s MET 68 CO -0.03 -0.67 0.03 0.00 -0.01 0.00 0.00 175.02 174.34 2rmx s GLU 70 N 1.82 1.82 0.00 0.00 -1.05 -0.45 -4.82 118.70 116.03 2rmx s GLU 70 Ca 0.01 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 52.97 2rmx s GLU 70 Cb -0.12 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.12 2rmx s GLU 70 CO -0.04 -1.03 0.00 0.41 0.95 0.00 0.00 175.26 175.56 2rmx n GLY 71 N 4.44 1.16 0.00 -3.83 0.00 -1.26 -2.96 105.19 102.74 2rmx n GLY 71 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 3.83 -0.02 0.00 -1.26 -5.14 105.19 102.60 2rmx n GLY 72 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2rmx n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rmx s ARG 73 N -0.54 4.18 0.11 1.61 1.70 -1.16 -4.80 118.95 120.06 2rmx s ARG 73 Ca 0.00 1.00 0.04 0.00 -0.47 0.00 0.00 55.73 56.30 2rmx s ARG 73 Cb 0.00 -2.30 -0.04 0.00 -0.57 0.00 0.00 34.95 32.04 2rmx s ARG 73 CO 0.00 0.05 0.06 0.71 -1.08 0.00 0.00 175.30 175.04 2rmx s TYR 74 N -2.08 3.10 0.01 5.89 2.02 -0.88 -1.35 117.35 124.07 2rmx s TYR 74 Ca 0.59 0.02 -0.28 0.00 -0.37 0.00 0.00 57.07 57.02 2rmx s TYR 74 Cb -0.10 -1.56 0.07 0.00 -0.40 0.00 0.00 41.96 39.97 2rmx s TYR 74 CO 0.15 0.51 0.65 -0.08 -1.57 0.00 0.00 175.55 175.21 2rmx s THR 75 N -1.46 0.00 -0.63 -0.71 -1.32 -0.67 -1.23 115.64 109.61 2rmx s THR 75 Ca 0.28 -0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.79 2rmx s THR 75 Cb -0.11 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.03 2rmx s THR 75 CO 0.21 -0.00 0.41 0.68 -2.21 0.00 0.00 174.62 173.71 2rmx s VAL 76 N -1.96 3.02 0.00 5.08 -7.23 -1.26 -1.46 120.40 116.58 2rmx s VAL 76 Ca -0.07 -3.64 0.00 0.00 -1.81 0.00 0.00 61.98 56.45 2rmx s VAL 76 Cb -0.00 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2rmx s VAL 76 CO 0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 2rmx n GLY 77 N 2.71 1.38 3.64 2.32 0.00 -1.26 -4.92 105.19 109.07 2rmx n GLY 77 Ca 0.12 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.10 0.14 -0.02 0.00 -1.26 -4.84 105.19 99.12 2rmx n GLY 78 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.93 0.55 0.00 0.99 4.77 -1.26 -4.73 117.00 116.39 2rmx n LEU 79 Ca 0.14 0.72 -0.11 0.00 -0.03 0.00 0.00 56.01 56.72 2rmx n LEU 79 Cb 0.47 -0.74 0.11 0.00 -2.33 0.00 0.00 43.42 40.92 2rmx n LEU 79 CO 0.49 -0.81 0.13 -0.62 -1.33 0.00 0.00 177.39 175.25 2rmx n GLU 80 N -2.20 -1.56 -3.83 3.23 1.02 -1.26 -5.06 120.64 110.98 2rmx n GLU 80 Ca -0.00 -0.53 -0.06 0.00 -0.02 0.00 0.00 57.16 56.54 2rmx n GLU 80 Cb 0.09 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.45 0.00 -0.24 2.62 -4.23 -1.26 -4.68 115.64 106.39 2rmx s THR 81 Ca 0.24 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 2rmx s THR 81 Cb -0.04 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.46 2rmx s THR 81 CO 0.20 0.00 0.62 -0.36 -0.54 0.00 0.00 174.62 174.54 2rmx s PHE 82 N -3.05 -0.83 0.21 3.99 0.40 -0.37 -4.93 117.98 113.40 2rmx s PHE 82 Ca 0.14 1.81 -0.11 0.00 -0.60 0.00 0.00 56.93 58.17 2rmx s PHE 82 Cb -0.04 0.41 0.28 0.00 0.51 0.00 0.00 43.02 44.17 2rmx s PHE 82 CO 0.07 -0.42 1.26 -0.25 0.70 0.00 0.00 175.22 176.59 2rmx n ASP 83 N 3.65 -0.42 -2.28 1.36 9.92 -1.26 -2.08 116.55 125.45 2rmx n ASP 83 Ca -0.18 1.40 -0.04 0.00 -0.53 0.00 0.00 54.79 55.45 2rmx n ASP 83 Cb 0.57 -0.37 0.02 0.00 -0.64 0.00 0.00 41.12 40.70 2rmx n ASP 83 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2rmx n SER 84 N -5.25 -1.28 -0.34 -2.24 7.64 -1.26 -4.59 113.62 106.29 2rmx n SER 84 Ca 0.10 -1.80 0.28 0.00 1.01 0.00 0.00 58.87 58.46 2rmx n SER 84 Cb 0.36 2.12 0.59 0.00 -1.01 0.00 0.00 64.21 66.27 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2rmx h LEU 85 N 0.00 0.31 0.70 -3.43 -0.00 -1.96 0.15 115.31 111.08 2rmx h LEU 85 Ca -0.19 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.72 2rmx h LEU 85 Cb 0.77 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2rmx h LEU 85 CO 0.25 0.03 -0.33 0.74 -0.00 0.00 0.00 178.44 179.13 2rmx h THR 86 N 0.26 0.20 -0.82 0.22 2.02 -1.96 0.27 112.91 113.09 2rmx h THR 86 Ca 0.62 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 2rmx h THR 86 Cb 1.83 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2rmx h THR 86 CO -0.24 0.02 0.49 -0.78 0.37 0.00 0.00 175.52 175.38 2rmx h ASP 87 N -1.11 0.99 0.58 4.18 3.58 -1.58 0.98 116.42 124.05 2rmx h ASP 87 Ca -0.10 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.27 2rmx h ASP 87 Cb 0.75 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.55 2rmx h ASP 87 CO 0.16 0.76 -0.28 0.25 -2.88 0.00 0.00 179.24 177.25 2rmx h LEU 88 N 1.13 -0.66 0.19 2.28 6.46 -0.72 -2.28 115.31 121.71 2rmx h LEU 88 Ca 0.30 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 2rmx h LEU 88 Cb -0.04 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2rmx h LEU 88 CO -0.06 -0.34 -0.33 0.58 -0.62 0.00 0.00 178.44 177.67 2rmx h VAL 89 N -1.05 0.30 -0.61 1.05 2.07 -0.42 -1.80 116.25 115.80 2rmx h VAL 89 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2rmx h VAL 89 Cb 0.60 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 2rmx h VAL 89 CO 0.13 0.00 -0.37 -0.33 0.02 0.00 0.00 177.57 177.02 2rmx h GLU 90 N -0.61 -0.17 -0.02 1.57 5.08 -0.90 1.13 114.58 120.67 2rmx h GLU 90 Ca 0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2rmx h GLU 90 Cb 0.60 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2rmx h GLU 90 CO -0.15 -0.11 0.04 1.25 -1.00 0.00 0.00 179.01 179.04 2rmx h HIS 91 N -0.17 0.00 0.00 4.33 2.76 -1.12 0.17 115.15 121.12 2rmx h HIS 91 Ca 0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 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 -0.67 0.00 -0.77 1.19 -1.30 0.00 0.00 177.93 176.38 2rmx n PHE 92 N -3.40 0.07 0.49 5.26 3.72 0.34 -3.13 117.46 120.82 2rmx n PHE 92 Ca -0.02 0.02 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 2rmx n PHE 92 Cb 0.12 -0.23 0.32 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.30 -2.29 116.57 115.07 2rmx h LYS 93 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2rmx h LYS 93 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2rmx h LYS 93 CO 0.00 0.00 -1.98 0.36 -0.57 0.00 0.00 179.45 177.26 2rmx n LYS 94 N -2.53 0.61 -0.02 3.15 2.85 -1.19 -4.53 118.16 116.51 2rmx n LYS 94 Ca 0.05 0.09 -0.01 0.00 -1.05 0.00 0.00 58.31 57.38 2rmx n LYS 94 Cb 0.46 -1.35 -0.00 0.00 -0.65 0.00 0.00 35.03 33.49 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 0.00 0.00 0.00 0.58 1.35 -1.66 -3.52 112.91 109.66 2rmx h THR 95 Ca -0.39 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2rmx h THR 95 Cb 1.63 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2rmx h THR 95 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 2rmx n GLY 96 N 1.74 2.85 3.77 5.82 0.00 -0.86 -5.03 105.19 113.48 2rmx n GLY 96 Ca -0.02 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.42 5.39 -0.38 -0.61 1.01 -1.16 -4.94 121.20 118.09 2rmx s ILE 97 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 2rmx s ILE 97 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.99 2rmx s ILE 97 CO 0.00 0.48 0.22 -0.70 0.00 0.00 0.00 174.94 174.94 2rmx s GLU 98 N -0.03 2.84 0.29 2.79 2.12 -1.26 -1.39 118.70 124.07 2rmx s GLU 98 Ca 0.13 -1.07 -0.28 0.00 0.36 0.00 0.00 54.97 54.10 2rmx s GLU 98 Cb -0.12 -3.76 -0.09 0.00 0.26 0.00 0.00 34.13 30.42 2rmx s GLU 98 CO 0.02 -0.71 0.99 -1.21 -0.54 0.00 0.00 175.26 173.82 2rmx s GLU 99 N 1.57 4.63 0.17 4.30 2.02 0.11 -4.92 118.70 126.58 2rmx s GLU 99 Ca 0.02 1.52 -0.28 0.00 0.02 0.00 0.00 54.97 56.25 2rmx s GLU 99 Cb -0.19 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 2rmx s GLU 99 CO 0.07 0.29 1.55 0.00 0.02 0.00 0.00 175.26 177.18 2rmx h ALA 100 N 3.57 -0.44 -0.94 5.21 0.00 -1.98 0.42 119.26 125.10 2rmx h ALA 100 Ca -0.46 0.13 0.35 0.00 0.00 0.00 0.00 54.91 54.93 2rmx h ALA 100 Cb 1.20 1.24 -0.17 0.00 0.00 0.00 0.00 17.79 20.06 2rmx h ALA 100 CO 0.66 -0.91 0.35 0.43 0.00 0.00 0.00 179.25 179.79 2rmx n SER 101 N -5.32 0.19 0.00 0.00 7.64 -1.26 -4.70 113.62 110.16 2rmx n SER 101 Ca 0.03 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.48 2rmx n SER 101 Cb 0.31 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.32 1.26 3.81 0.23 0.00 0.14 -5.15 105.19 104.16 2rmx n GLY 102 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.26 3.63 -0.28 4.61 0.00 -1.15 -4.91 121.76 122.40 2rmx s ALA 103 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2rmx s ALA 103 Cb 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 23.12 21.74 2rmx s ALA 103 CO 0.00 0.65 0.02 -0.06 0.00 0.00 0.00 175.76 176.36 2rmx s PHE 104 N -1.56 2.61 0.13 0.00 0.08 -1.26 0.05 117.98 118.03 2rmx s PHE 104 Ca 0.31 -2.11 -0.30 0.00 0.12 0.00 0.00 56.93 54.95 2rmx s PHE 104 Cb -0.11 -2.00 -0.07 0.00 -0.57 0.00 0.00 43.02 40.27 2rmx s PHE 104 CO 0.24 -0.85 1.11 0.08 -0.10 0.00 0.00 175.22 175.69 2rmx s VAL 105 N 1.31 4.02 -0.07 -0.44 1.01 -0.49 -4.91 120.40 120.83 2rmx s VAL 105 Ca 0.03 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.70 2rmx s VAL 105 Cb -0.18 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2rmx s VAL 105 CO -0.12 0.23 -0.24 -0.31 0.00 0.00 0.00 175.10 174.66 2rmx s TYR 106 N 0.19 2.44 -0.49 5.22 2.02 -1.26 -3.00 117.35 122.47 2rmx s TYR 106 Ca 0.52 -0.81 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 2rmx s TYR 106 Cb -0.28 -1.61 0.13 0.00 -0.40 0.00 0.00 41.96 39.79 2rmx s TYR 106 CO 0.33 -0.27 0.30 -0.51 -1.57 0.00 0.00 175.55 173.83 2rmx s LEU 107 N -0.02 5.28 -0.15 -1.29 1.02 -1.26 -4.13 118.68 118.13 2rmx s LEU 107 Ca -0.08 -2.34 -0.11 0.00 0.02 0.00 0.00 54.13 51.63 2rmx s LEU 107 Cb -0.15 -1.85 -0.24 0.00 0.02 0.00 0.00 46.19 43.97 2rmx s LEU 107 CO 0.05 -0.49 0.30 0.54 0.02 0.00 0.00 176.35 176.77 2rmx n ARG 108 N 4.19 0.70 -3.79 1.70 1.74 -0.88 -4.65 116.66 115.67 2rmx n ARG 108 Ca 0.01 0.35 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 2rmx n ARG 108 Cb 0.40 -1.71 -0.11 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 -2.50 0.36 0.00 5.56 0.00 -1.19 -5.10 119.66 116.79 2rmx s GLN 109 Ca -0.25 0.19 0.00 0.00 -0.00 0.00 0.00 55.36 55.30 2rmx s GLN 109 Cb 0.07 0.17 0.00 0.00 0.00 0.00 0.00 33.01 33.24 2rmx s GLN 109 CO 0.71 -0.06 0.00 -0.35 0.00 0.00 0.00 175.29 175.59 2rmx n PRO 110 N 2.56 0.16 -3.87 9.60 -0.04 -1.26 -2.94 135.00 139.22 2rmx n PRO 110 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2rmx n PRO 110 Cb 0.58 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.41 -0.00 0.35 0.54 5.04 -1.02 -4.60 117.35 117.24 2rmx s TYR 111 Ca 0.00 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.69 2rmx s TYR 111 Cb 0.00 -0.00 -0.07 0.00 0.35 0.00 0.00 41.96 42.24 2rmx s TYR 111 CO 0.00 -0.00 0.04 0.71 -1.34 0.00 0.00 175.55 174.96 2rmx s TYR 112 N 0.02 2.13 -0.00 4.97 2.02 -1.26 -4.67 117.35 120.55 2rmx s TYR 112 Ca -0.00 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 2rmx s TYR 112 Cb -0.00 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2rmx s TYR 112 CO -0.00 0.14 0.00 0.45 -1.57 0.00 0.00 175.55 174.57 2rmx s SER 113 N -3.55 0.07 0.00 2.29 0.15 -1.26 -5.13 113.70 106.26 2rmx s SER 113 Ca 0.36 0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2rmx s SER 113 Cb 0.09 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2rmx s SER 113 CO 0.16 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2rmx n GLY 114 N 3.31 -1.74 3.69 9.45 0.00 -1.26 -5.13 105.19 113.51 2rmx n GLY 114 Ca -0.15 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.67 4.28 0.02 1.61 0.04 -1.26 -5.02 135.00 132.99 2rmx s PRO 115 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2rmx s PRO 115 Cb 0.00 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 2rmx s PRO 115 CO 0.00 -0.56 -0.03 0.45 0.04 0.00 0.00 177.00 176.90 2rmx s SER 116 N 1.79 0.26 -0.17 6.66 0.15 -1.26 -5.15 113.70 115.98 2rmx s SER 116 Ca 0.65 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 2rmx s SER 116 Cb -0.33 0.06 0.08 0.00 -1.71 0.00 0.00 66.02 64.12 2rmx s SER 116 CO 0.28 -0.19 0.34 -0.94 1.20 0.00 0.00 173.24 173.93 2rmx s SER 117 N -0.99 0.11 0.00 5.45 1.04 -1.26 -5.33 113.70 112.72 2rmx s SER 117 Ca -0.10 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2rmx s SER 117 Cb -0.07 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.06 2rmx s SER 117 CO -0.01 -0.24 0.01 0.61 0.98 0.00 0.00 173.24 174.59