#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 -0.05 -0.05 1.61 0.15 -1.26 -5.13 113.70 108.97 2rmx s SER 2 Ca 0.00 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 2rmx s SER 2 Cb 0.00 0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 2rmx s SER 2 CO 0.00 -0.15 0.03 -0.94 1.20 0.00 0.00 173.24 173.38 2rmx s SER 3 N 1.19 1.13 0.00 5.45 1.04 -1.26 -5.11 113.70 116.14 2rmx s SER 3 Ca -0.09 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2rmx s SER 3 Cb -0.12 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2rmx s SER 3 CO -0.05 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2rmx n GLY 4 N 5.05 4.23 3.56 7.32 0.00 -1.26 -5.02 105.19 119.06 2rmx n GLY 4 Ca -0.09 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2rmx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rmx s SER 5 N 0.00 5.85 -0.25 1.61 0.15 -1.26 -4.87 113.70 114.93 2rmx s SER 5 Ca 0.00 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.71 2rmx s SER 5 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2rmx s SER 5 CO 0.00 -1.97 2.70 -1.20 1.20 0.00 0.00 173.24 173.97 2rmx n SER 6 N 10.59 6.01 -0.75 5.45 7.64 -1.26 -4.87 113.62 136.44 2rmx n SER 6 Ca 0.12 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.12 2rmx n SER 6 Cb 0.50 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.24 0.53 0.34 0.23 0.00 -1.26 -4.98 105.19 101.29 2rmx n GLY 7 Ca 0.36 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 0.25 -3.23 1.61 -0.00 -1.26 -4.78 117.44 110.04 2rmx n TRP 8 Ca 0.00 -1.04 -0.44 0.00 -0.00 0.00 0.00 57.50 56.02 2rmx n TRP 8 Cb 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 31.31 31.03 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 -2.92 3.11 -0.08 -2.67 5.04 -1.26 -1.50 117.35 117.07 2rmx s TYR 9 Ca 0.35 -0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 54.48 2rmx s TYR 9 Cb 0.31 -3.30 -0.00 0.00 0.35 0.00 0.00 41.96 39.31 2rmx s TYR 9 CO 0.03 -0.90 -0.01 0.45 -1.34 0.00 0.00 175.55 173.78 2rmx h HIS 10 N 8.88 0.00 0.00 4.97 3.86 -1.83 -3.50 115.15 127.54 2rmx h HIS 10 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2rmx h HIS 10 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2rmx h HIS 10 CO 0.70 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.90 2rmx n GLY 11 N 1.81 2.07 3.46 2.45 0.00 -1.26 -4.94 105.19 108.78 2rmx n GLY 11 Ca -0.01 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 2.81 -0.23 1.61 3.76 -1.26 -3.72 115.29 118.26 2rmx s HIS 12 Ca 0.00 -0.84 -0.11 0.00 -0.15 0.00 0.00 55.06 53.95 2rmx s HIS 12 Cb 0.00 -4.32 0.08 0.00 1.11 0.00 0.00 32.58 29.45 2rmx s HIS 12 CO 0.00 -1.62 0.54 1.41 -0.85 0.00 0.00 174.74 174.23 2rmx s MET 13 N 3.67 0.52 0.23 1.40 0.00 -1.26 -5.08 119.30 118.79 2rmx s MET 13 Ca 0.27 1.06 0.02 0.00 0.00 0.00 0.00 55.69 57.04 2rmx s MET 13 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 34.83 34.87 2rmx s MET 13 CO 0.02 -0.17 0.39 0.45 0.00 0.00 0.00 175.02 175.71 2rmx s SER 14 N 1.83 6.34 0.09 1.11 0.15 -1.26 -4.84 113.70 117.13 2rmx s SER 14 Ca -0.08 0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.64 2rmx s SER 14 Cb -0.08 -1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 62.23 2rmx s SER 14 CO -0.16 -0.08 1.33 1.23 1.20 0.00 0.00 173.24 176.75 2rmx h GLY 15 N 1.52 -1.54 0.73 9.45 0.00 -2.00 0.40 103.07 111.63 2rmx h GLY 15 Ca -0.50 0.90 0.15 0.00 0.00 0.00 0.00 47.33 47.89 2rmx h GLY 15 CO 0.65 -0.38 0.48 -1.33 0.00 0.00 0.00 176.54 175.96 2rmx h GLY 16 N -0.06 0.51 0.31 4.60 0.00 -2.01 -2.85 103.07 103.57 2rmx h GLY 16 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2rmx h GLY 16 CO -0.52 0.04 -0.15 -1.61 0.00 0.00 0.00 176.54 174.30 2rmx h GLN 17 N 0.30 -0.40 -0.87 4.80 4.15 -0.69 -3.12 115.11 119.27 2rmx h GLN 17 Ca 0.34 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.94 2rmx h GLN 17 Cb 0.92 0.09 -0.15 0.00 0.21 0.00 0.00 27.48 28.54 2rmx h GLN 17 CO -0.09 -0.26 -0.29 0.00 -1.93 0.00 0.00 178.83 176.26 2rmx n ALA 18 N -2.30 0.03 -0.23 3.38 0.00 0.06 0.75 120.51 122.20 2rmx n ALA 18 Ca -0.05 0.91 0.01 0.00 0.00 0.00 0.00 53.44 54.31 2rmx n ALA 18 Cb 0.16 -0.47 0.08 0.00 0.00 0.00 0.00 19.45 19.22 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 0.02 0.57 0.00 5.08 -1.55 0.11 114.58 118.81 2rmx h GLU 19 Ca 0.36 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2rmx h GLU 19 Cb 0.57 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2rmx h GLU 19 CO -0.88 0.01 -0.33 1.15 -1.00 0.00 0.00 179.01 177.96 2rmx h THR 20 N 0.02 0.00 -0.64 1.13 2.02 0.40 0.23 112.91 116.06 2rmx h THR 20 Ca 0.33 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.63 2rmx h THR 20 Cb 0.51 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.80 2rmx h THR 20 CO -0.66 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 174.93 2rmx h LEU 21 N -0.84 -0.81 0.15 2.58 4.07 -0.94 0.27 115.31 119.80 2rmx h LEU 21 Ca -0.08 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 2rmx h LEU 21 Cb 0.67 0.47 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2rmx h LEU 21 CO 0.09 -0.25 -0.07 -0.07 -1.08 0.00 0.00 178.44 177.05 2rmx h LEU 22 N -0.06 -0.18 -0.96 1.67 3.38 -0.69 -2.62 115.31 115.85 2rmx h LEU 22 Ca 0.29 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.57 2rmx h LEU 22 Cb 0.52 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.14 2rmx h LEU 22 CO -0.69 -0.13 0.22 1.56 0.09 0.00 0.00 178.44 179.49 2rmx h GLN 23 N -0.21 0.07 -0.96 1.13 4.20 -0.27 0.94 115.11 120.01 2rmx h GLN 23 Ca -0.02 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.81 2rmx h GLN 23 Cb 0.16 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 2rmx h GLN 23 CO 0.03 0.04 0.59 0.00 -0.67 0.00 0.00 178.83 178.83 2rmx h ALA 24 N 1.93 1.45 -0.53 3.87 0.00 -0.36 -1.54 119.26 124.08 2rmx h ALA 24 Ca 0.65 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.63 2rmx h ALA 24 Cb 1.45 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2rmx h ALA 24 CO -0.81 0.17 0.29 -0.22 0.00 0.00 0.00 179.25 178.68 2rmx h LYS 25 N 0.93 0.55 0.00 0.00 1.63 0.13 -3.46 116.57 116.35 2rmx h LYS 25 Ca 0.48 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 2rmx h LYS 25 Cb 0.50 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2rmx h LYS 25 CO -0.27 0.36 0.00 0.41 -3.45 0.00 0.00 179.45 176.50 2rmx n GLY 26 N -1.25 0.63 3.64 5.01 0.00 -0.58 -4.99 105.19 107.65 2rmx n GLY 26 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.30 4.13 0.36 1.61 0.41 -1.26 -4.99 118.70 118.66 2rmx s GLU 27 Ca 0.00 0.31 -0.27 0.00 -0.41 0.00 0.00 54.97 54.60 2rmx s GLU 27 Cb 0.00 -3.60 -0.09 0.00 -1.78 0.00 0.00 34.13 28.66 2rmx s GLU 27 CO 0.00 -0.22 1.21 -1.25 -0.49 0.00 0.00 175.26 174.51 2rmx s PRO 28 N 1.87 4.25 -0.72 0.39 0.04 -1.26 -3.14 135.00 136.43 2rmx s PRO 28 Ca 0.21 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2rmx s PRO 28 Cb -0.15 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2rmx s PRO 28 CO 0.09 -0.19 0.00 0.91 0.04 0.00 0.00 177.00 177.85 2rmx n TRP 29 N 0.51 -0.24 -2.82 0.56 5.03 0.16 -4.78 117.44 115.85 2rmx n TRP 29 Ca 0.02 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.12 2rmx n TRP 29 Cb 0.45 -1.93 -0.04 0.00 -1.03 0.00 0.00 31.31 28.76 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 -2.35 4.30 0.63 -0.99 2.01 -1.19 -2.14 115.64 115.91 2rmx s THR 30 Ca 0.00 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 2rmx s THR 30 Cb 0.00 -4.73 0.04 0.00 0.01 0.00 0.00 72.50 67.82 2rmx s THR 30 CO 0.00 -1.52 0.91 0.72 -0.69 0.00 0.00 174.62 174.04 2rmx s PHE 31 N 4.10 2.96 -0.29 4.92 -0.71 -1.13 -1.60 117.98 126.22 2rmx s PHE 31 Ca 0.25 0.34 -0.24 0.00 -1.04 0.00 0.00 56.93 56.25 2rmx s PHE 31 Cb -0.14 -2.96 0.16 0.00 -1.21 0.00 0.00 43.02 38.87 2rmx s PHE 31 CO 0.07 -1.12 1.23 -0.48 -1.34 0.00 0.00 175.22 173.58 2rmx s LEU 32 N -5.04 -0.25 0.16 -1.99 0.05 -0.02 -2.30 118.68 109.29 2rmx s LEU 32 Ca 0.58 0.46 -0.03 0.00 0.05 0.00 0.00 54.13 55.18 2rmx s LEU 32 Cb -0.11 1.46 -0.05 0.00 -2.05 0.00 0.00 46.19 45.44 2rmx s LEU 32 CO 0.43 -0.08 0.38 -0.69 -0.55 0.00 0.00 176.35 175.84 2rmx s VAL 33 N 0.30 5.18 -0.30 1.48 1.01 -0.56 -1.93 120.40 125.57 2rmx s VAL 33 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 2rmx s VAL 33 Cb -0.05 -3.66 0.17 0.00 0.00 0.00 0.00 36.38 32.85 2rmx s VAL 33 CO -0.12 -0.04 0.86 0.00 0.00 0.00 0.00 175.10 175.81 2rmx s ARG 34 N -2.89 0.37 0.36 2.72 1.70 -1.16 -2.27 118.95 117.77 2rmx s ARG 34 Ca 0.40 0.74 -0.28 0.00 -0.47 0.00 0.00 55.73 56.12 2rmx s ARG 34 Cb -0.12 0.43 -0.11 0.00 -0.57 0.00 0.00 34.95 34.58 2rmx s ARG 34 CO 0.26 -0.30 1.50 -0.85 -1.08 0.00 0.00 175.30 174.83 2rmx n GLU 35 N 5.34 2.67 -0.82 3.89 0.28 -1.24 -3.01 120.64 127.74 2rmx n GLU 35 Ca -0.06 0.94 -0.30 0.00 -0.16 0.00 0.00 57.16 57.58 2rmx n GLU 35 Cb 0.52 -2.68 0.17 0.00 1.43 0.00 0.00 31.44 30.89 2rmx n GLU 35 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2rmx s SER 36 N -0.03 2.77 -0.19 -1.84 0.01 -1.12 -4.66 113.70 108.63 2rmx s SER 36 Ca 0.55 1.87 -0.16 0.00 1.31 0.00 0.00 55.95 59.52 2rmx s SER 36 Cb -0.48 -2.43 -0.11 0.00 0.21 0.00 0.00 66.02 63.21 2rmx s SER 36 CO 0.61 -3.14 -0.06 0.18 0.41 0.00 0.00 173.24 171.24 2rmx n LEU 37 N -4.24 1.86 -0.02 2.44 4.77 -1.26 -4.82 117.00 115.73 2rmx n LEU 37 Ca 0.09 0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 56.53 2rmx n LEU 37 Cb 0.53 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2rmx n LEU 37 CO 0.53 -0.01 -0.08 0.28 -1.33 0.00 0.00 177.39 176.78 2rmx h SER 38 N -1.00 0.00 0.00 -1.43 0.02 -1.98 -3.45 113.55 105.70 2rmx h SER 38 Ca -0.24 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.29 2rmx h SER 38 Cb 1.03 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 2rmx h SER 38 CO -0.14 0.17 1.55 1.67 -1.14 0.00 0.00 176.83 178.95 2rmx n GLN 39 N -2.80 0.00 -2.17 3.45 -0.06 -1.26 -4.79 117.38 109.74 2rmx n GLN 39 Ca -0.02 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.56 2rmx n GLN 39 Cb 0.06 -1.25 -0.03 0.00 -4.06 0.00 0.00 30.24 24.96 2rmx n GLN 39 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2rmx s PRO 40 N 7.62 4.25 -0.43 3.69 0.04 -1.26 -3.16 135.00 145.76 2rmx s PRO 40 Ca 1.18 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 64.21 2rmx s PRO 40 Cb -1.05 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 29.84 2rmx s PRO 40 CO 0.43 -0.64 0.37 0.41 0.04 0.00 0.00 177.00 177.61 2rmx n GLY 41 N 3.75 0.45 3.11 0.56 0.00 -1.26 -5.05 105.19 106.74 2rmx n GLY 41 Ca 0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.14 0.12 0.40 1.61 1.11 -1.19 -3.98 116.67 111.60 2rmx s ASP 42 Ca 0.17 -0.42 0.04 0.00 0.18 0.00 0.00 52.55 52.52 2rmx s ASP 42 Cb -0.07 0.22 -0.04 0.00 1.07 0.00 0.00 42.92 44.09 2rmx s ASP 42 CO 0.23 -0.46 0.07 -0.36 1.18 0.00 0.00 175.17 175.83 2rmx s PHE 43 N -2.16 1.94 -0.07 4.23 0.40 -0.72 -2.81 117.98 118.78 2rmx s PHE 43 Ca -0.09 -1.04 -0.03 0.00 -0.60 0.00 0.00 56.93 55.17 2rmx s PHE 43 Cb -0.04 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.18 2rmx s PHE 43 CO -0.02 -0.01 0.14 0.08 0.70 0.00 0.00 175.22 176.10 2rmx s VAL 44 N -3.13 -0.12 -0.44 -0.44 1.01 -1.16 -0.73 120.40 115.39 2rmx s VAL 44 Ca 0.26 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2rmx s VAL 44 Cb 0.05 -0.24 0.08 0.00 0.00 0.00 0.00 36.38 36.27 2rmx s VAL 44 CO 0.13 0.10 0.31 -0.22 0.00 0.00 0.00 175.10 175.42 2rmx s LEU 45 N 1.53 5.34 0.04 3.92 2.96 0.13 -3.00 118.68 129.61 2rmx s LEU 45 Ca -0.05 -1.48 -0.16 0.00 -0.22 0.00 0.00 54.13 52.22 2rmx s LEU 45 Cb -0.12 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 2rmx s LEU 45 CO -0.06 -0.58 0.47 -0.44 -1.32 0.00 0.00 176.35 174.42 2rmx s SER 46 N 2.32 6.87 -0.09 3.68 0.01 -0.82 -2.72 113.70 122.96 2rmx s SER 46 Ca 0.03 1.05 -0.05 0.00 1.31 0.00 0.00 55.95 58.29 2rmx s SER 46 Cb -0.24 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2rmx s SER 46 CO 0.03 0.27 0.21 -0.69 0.41 0.00 0.00 173.24 173.48 2rmx s VAL 47 N -1.16 -0.03 -0.74 3.43 1.01 -0.81 -0.84 120.40 121.26 2rmx s VAL 47 Ca 0.28 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 2rmx s VAL 47 Cb -0.17 -0.32 0.10 0.00 0.00 0.00 0.00 36.38 35.98 2rmx s VAL 47 CO 0.16 0.05 0.97 -0.22 0.00 0.00 0.00 175.10 176.06 2rmx s LEU 48 N 1.01 4.84 0.70 3.92 2.96 -0.63 -0.68 118.68 130.80 2rmx s LEU 48 Ca -0.07 -1.45 -0.16 0.00 -0.22 0.00 0.00 54.13 52.22 2rmx s LEU 48 Cb -0.09 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2rmx s LEU 48 CO -0.06 -1.24 1.25 -0.94 -1.32 0.00 0.00 176.35 174.04 2rmx s SER 49 N 3.63 4.27 0.00 3.68 1.04 -0.18 0.40 113.70 126.54 2rmx s SER 49 Ca 0.24 2.51 0.19 0.00 0.48 0.00 0.00 55.95 59.36 2rmx s SER 49 Cb -0.14 -2.61 1.09 0.00 0.10 0.00 0.00 66.02 64.46 2rmx s SER 49 CO 0.03 -2.22 1.54 -0.67 0.98 0.00 0.00 173.24 172.89 2rmx n ASP 50 N -2.41 0.00 -4.62 7.02 -0.08 -1.26 -3.87 116.55 111.33 2rmx n ASP 50 Ca 0.15 -0.45 -0.42 0.00 -1.51 0.00 0.00 54.79 52.56 2rmx n ASP 50 Cb 0.49 -0.07 -0.04 0.00 2.34 0.00 0.00 41.12 43.84 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2rmx s GLN 51 N -2.14 3.98 0.66 -0.67 -0.21 -1.26 -4.95 119.66 115.07 2rmx s GLN 51 Ca 0.26 0.66 -0.15 0.00 0.02 0.00 0.00 55.36 56.15 2rmx s GLN 51 Cb 0.13 -3.73 0.00 0.00 1.00 0.00 0.00 33.01 30.41 2rmx s GLN 51 CO 0.23 -0.70 1.11 -1.25 -2.12 0.00 0.00 175.29 172.56 2rmx s PRO 52 N 3.04 2.77 0.07 2.91 0.04 -1.26 -0.49 135.00 142.08 2rmx s PRO 52 Ca 0.34 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 2rmx s PRO 52 Cb -0.14 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 2rmx s PRO 52 CO 0.13 -1.27 1.35 0.87 0.04 0.00 0.00 177.00 178.12 2rmx h LYS 53 N -0.03 0.54 0.00 4.56 1.57 -1.78 -3.43 116.57 118.00 2rmx h LYS 53 Ca -0.47 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 2rmx h LYS 53 Cb 1.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2rmx h LYS 53 CO 0.54 0.91 -0.71 0.00 -0.57 0.00 0.00 179.45 179.62 2rmx n ALA 54 N -2.48 2.54 0.00 3.86 0.00 -1.26 -5.08 120.51 118.10 2rmx n ALA 54 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2rmx n ALA 54 Cb 0.45 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 2.72 3.17 3.58 0.00 0.00 -1.26 -5.00 105.19 108.39 2rmx n GLY 55 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 2.50 -1.63 1.61 0.04 -1.26 -3.79 135.00 132.48 2rmx s PRO 56 Ca 0.00 -1.00 -0.02 0.00 0.04 0.00 0.00 61.00 60.02 2rmx s PRO 56 Cb 0.00 -5.21 0.01 0.00 0.04 0.00 0.00 34.50 29.34 2rmx s PRO 56 CO 0.00 -3.87 0.26 0.41 0.04 0.00 0.00 177.00 173.84 2rmx n GLY 57 N 6.01 -0.51 3.82 0.56 0.00 -1.26 -4.96 105.19 108.85 2rmx n GLY 57 Ca 0.44 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.33 6.97 -0.26 1.61 1.04 -1.25 -4.99 113.70 114.48 2rmx s SER 58 Ca 0.14 1.62 -0.29 0.00 0.48 0.00 0.00 55.95 57.89 2rmx s SER 58 Cb -0.06 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 2rmx s SER 58 CO 0.17 -0.27 1.64 -2.16 0.98 0.00 0.00 173.24 173.60 2rmx s PRO 59 N -2.93 3.67 0.28 4.02 0.04 -1.26 -4.48 135.00 134.34 2rmx s PRO 59 Ca 0.58 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.96 2rmx s PRO 59 Cb -0.11 -4.07 -0.14 0.00 0.04 0.00 0.00 34.50 30.22 2rmx s PRO 59 CO 0.16 -1.45 0.20 1.28 0.04 0.00 0.00 177.00 177.23 2rmx n LEU 60 N 8.90 -1.93 -4.76 -3.56 4.77 -1.26 -3.62 117.00 115.54 2rmx n LEU 60 Ca 0.20 0.78 -0.37 0.00 -0.03 0.00 0.00 56.01 56.58 2rmx n LEU 60 Cb 0.46 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2rmx n LEU 60 CO 0.66 -3.16 0.90 -0.60 -1.33 0.00 0.00 177.39 173.86 2rmx s ARG 61 N -0.84 3.33 -0.16 3.23 6.06 0.35 -4.71 118.95 126.20 2rmx s ARG 61 Ca 0.51 2.00 -0.01 0.00 -2.50 0.00 0.00 55.73 55.73 2rmx s ARG 61 Cb -0.62 -2.25 -0.01 0.00 0.06 0.00 0.00 34.95 32.13 2rmx s ARG 61 CO 0.51 -0.97 -0.12 0.08 -2.50 0.00 0.00 175.30 172.30 2rmx s VAL 62 N -1.44 2.93 -0.21 7.11 1.01 -1.26 -1.01 120.40 127.54 2rmx s VAL 62 Ca 0.70 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2rmx s VAL 62 Cb -0.34 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2rmx s VAL 62 CO 0.40 0.50 0.17 -0.89 0.00 0.00 0.00 175.10 175.28 2rmx s THR 63 N 0.86 5.37 -0.30 3.92 2.01 0.15 -4.94 115.64 122.71 2rmx s THR 63 Ca -0.04 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 2rmx s THR 63 Cb -0.15 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.89 2rmx s THR 63 CO -0.00 0.40 0.02 -1.00 -0.69 0.00 0.00 174.62 173.35 2rmx s HIS 64 N 0.64 3.22 -0.11 4.92 3.76 -1.26 -1.92 115.29 124.54 2rmx s HIS 64 Ca 0.09 -1.66 0.01 0.00 -0.15 0.00 0.00 55.06 53.35 2rmx s HIS 64 Cb -0.12 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 2rmx s HIS 64 CO 0.01 -0.76 -0.14 0.42 -0.85 0.00 0.00 174.74 173.42 2rmx s ILE 65 N 1.32 2.98 -0.49 0.60 1.01 -1.10 -4.98 121.20 120.54 2rmx s ILE 65 Ca -0.03 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 2rmx s ILE 65 Cb -0.19 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.08 2rmx s ILE 65 CO -0.00 0.54 1.06 -0.54 0.00 0.00 0.00 174.94 176.00 2rmx s LYS 66 N 0.14 3.60 -0.47 2.79 1.02 -1.26 -0.69 119.74 124.86 2rmx s LYS 66 Ca -0.07 0.33 -0.25 0.00 0.02 0.00 0.00 55.97 56.00 2rmx s LYS 66 Cb -0.15 -3.94 0.03 0.00 -0.52 0.00 0.00 37.83 33.25 2rmx s LYS 66 CO 0.05 -1.39 0.90 0.08 -0.92 0.00 0.00 175.35 174.07 2rmx s VAL 67 N 4.27 4.50 0.53 3.17 1.01 0.09 -4.47 120.40 129.51 2rmx s VAL 67 Ca 0.43 0.59 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 2rmx s VAL 67 Cb -0.08 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2rmx s VAL 67 CO 0.28 -0.86 1.31 -0.04 0.00 0.00 0.00 175.10 175.79 2rmx s MET 68 N 3.68 3.26 -0.33 2.72 -1.94 0.44 -1.76 119.30 125.37 2rmx s MET 68 Ca 0.34 2.12 0.03 0.00 -1.71 0.00 0.00 55.69 56.47 2rmx s MET 68 Cb -0.11 -2.27 0.10 0.00 2.01 0.00 0.00 34.83 34.56 2rmx s MET 68 CO 0.24 -1.06 0.04 0.00 -0.01 0.00 0.00 175.02 174.23 2rmx n GLU 70 N 4.35 -0.58 -0.26 0.00 1.02 0.75 -4.92 120.64 121.01 2rmx n GLU 70 Ca 0.02 -0.94 -0.07 0.00 -0.02 0.00 0.00 57.16 56.15 2rmx n GLU 70 Cb 0.42 -0.62 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 2rmx n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rmx n GLY 71 N 1.05 -1.67 0.00 0.62 0.00 -1.26 -3.64 105.19 100.30 2rmx n GLY 71 Ca 0.08 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.15 0.70 3.79 -0.02 0.00 -1.26 -5.11 105.19 102.14 2rmx n GLY 72 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 2.21 0.18 1.61 3.00 -1.24 -4.69 118.95 120.02 2rmx s ARG 73 Ca 0.00 -2.09 0.08 0.00 0.00 0.00 0.00 55.73 53.72 2rmx s ARG 73 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 34.95 33.05 2rmx s ARG 73 CO 0.00 -0.35 -0.16 0.71 0.00 0.00 0.00 175.30 175.50 2rmx s TYR 74 N -2.75 1.72 0.19 -0.53 2.02 -0.81 -0.18 117.35 117.02 2rmx s TYR 74 Ca 0.28 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 56.23 2rmx s TYR 74 Cb 0.02 -0.83 0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2rmx s TYR 74 CO 0.16 0.32 0.61 -0.08 -1.57 0.00 0.00 175.55 174.99 2rmx s THR 75 N -2.47 0.01 -0.29 -0.71 -1.32 -0.37 -1.45 115.64 109.03 2rmx s THR 75 Ca 0.18 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 2rmx s THR 75 Cb -0.03 -1.28 0.09 0.00 -1.51 0.00 0.00 72.50 69.76 2rmx s THR 75 CO 0.06 -0.03 0.06 0.68 -2.21 0.00 0.00 174.62 173.18 2rmx s VAL 76 N -3.80 1.18 -0.53 5.08 -7.23 -1.26 0.17 120.40 114.01 2rmx s VAL 76 Ca 0.04 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2rmx s VAL 76 Cb -0.02 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.13 2rmx s VAL 76 CO -0.08 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 2rmx n GLY 77 N 4.74 -0.05 3.29 2.32 0.00 -1.26 -4.87 105.19 109.37 2rmx n GLY 77 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2rmx n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rmx s GLY 78 N -1.77 1.61 0.23 -0.02 0.00 -1.26 -5.05 107.32 101.07 2rmx s GLY 78 Ca 0.00 -1.80 0.18 0.00 0.00 0.00 0.00 44.72 43.10 2rmx s GLY 78 CO 0.00 -1.57 1.25 1.41 0.00 0.00 0.00 173.10 174.19 2rmx h LEU 79 N 2.46 0.00-10.15 0.66 3.38 -2.00 -3.47 115.31 106.19 2rmx h LEU 79 Ca -0.38 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.17 2rmx h LEU 79 Cb 1.24 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.20 2rmx h LEU 79 CO 0.61 0.38 0.00 -1.61 0.09 0.00 0.00 178.44 177.91 2rmx s GLU 80 N -3.04 -1.22 0.21 1.13 8.01 -1.26 -5.07 118.70 117.46 2rmx s GLU 80 Ca 0.02 0.64 -0.11 0.00 0.01 0.00 0.00 54.97 55.53 2rmx s GLU 80 Cb 0.08 -1.53 -0.01 0.00 -4.31 0.00 0.00 34.13 28.36 2rmx s GLU 80 CO 0.76 -3.87 0.39 0.95 0.01 0.00 0.00 175.26 173.50 2rmx s THR 81 N -2.49 0.02 -0.02 3.63 -4.23 -1.26 -4.55 115.64 106.74 2rmx s THR 81 Ca 0.68 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.76 2rmx s THR 81 Cb -0.22 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2rmx s THR 81 CO 0.63 -0.10 0.10 -0.36 -0.54 0.00 0.00 174.62 174.35 2rmx s PHE 82 N -4.00 -0.02 0.23 3.99 0.40 -0.53 -4.89 117.98 113.16 2rmx s PHE 82 Ca 0.21 0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.42 2rmx s PHE 82 Cb 0.01 -0.02 0.25 0.00 0.51 0.00 0.00 43.02 43.78 2rmx s PHE 82 CO 0.05 -0.15 1.56 0.22 0.70 0.00 0.00 175.22 177.60 2rmx h ASP 83 N 5.23 -1.24 -5.03 1.36 3.58 -1.90 -2.15 116.42 116.27 2rmx h ASP 83 Ca -0.28 0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2rmx h ASP 83 Cb 1.20 0.68 -0.00 0.00 1.72 0.00 0.00 39.33 42.92 2rmx h ASP 83 CO 0.42 -0.30 0.25 -0.44 -2.88 0.00 0.00 179.24 176.29 2rmx s SER 84 N -5.29 0.05 0.45 2.28 0.01 -1.26 -4.47 113.70 105.47 2rmx s SER 84 Ca -0.14 -1.15 0.27 0.00 1.31 0.00 0.00 55.95 56.24 2rmx s SER 84 Cb 0.21 0.84 1.32 0.00 0.21 0.00 0.00 66.02 68.59 2rmx s SER 84 CO 0.72 -1.66 1.74 -0.07 0.41 0.00 0.00 173.24 174.38 2rmx h LEU 85 N 2.01 0.26 0.47 2.44 -0.00 -1.97 0.36 115.31 118.89 2rmx h LEU 85 Ca -0.32 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 2rmx h LEU 85 Cb 1.25 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2rmx h LEU 85 CO 0.40 0.00 -0.23 0.74 -0.00 0.00 0.00 178.44 179.36 2rmx h THR 86 N 0.20 0.47 -0.76 0.22 2.02 -1.97 0.21 112.91 113.30 2rmx h THR 86 Ca 0.64 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.48 2rmx h THR 86 Cb 2.02 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 2rmx h THR 86 CO -0.23 0.06 0.51 -0.78 0.37 0.00 0.00 175.52 175.44 2rmx h ASP 87 N -0.87 0.86 0.29 4.18 1.82 -1.46 0.53 116.42 121.78 2rmx h ASP 87 Ca -0.07 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 2rmx h ASP 87 Cb 0.58 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2rmx h ASP 87 CO 0.11 0.62 -0.14 0.25 -1.61 0.00 0.00 179.24 178.46 2rmx h LEU 88 N 1.01 -0.33 -0.16 2.28 6.46 -0.94 -2.64 115.31 121.00 2rmx h LEU 88 Ca 0.28 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.10 2rmx h LEU 88 Cb -0.09 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 39.86 2rmx h LEU 88 CO -0.07 -0.11 -0.36 0.58 -0.62 0.00 0.00 178.44 177.86 2rmx h VAL 89 N -0.64 0.23 -0.55 1.05 2.07 -0.56 -1.76 116.25 116.08 2rmx h VAL 89 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2rmx h VAL 89 Cb 0.30 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.19 2rmx h VAL 89 CO 0.07 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.91 2rmx h GLU 90 N -0.42 -0.23 -0.01 1.57 5.08 -1.01 1.14 114.58 120.71 2rmx h GLU 90 Ca 0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2rmx h GLU 90 Cb 0.58 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2rmx h GLU 90 CO -0.39 -0.15 0.13 1.25 -1.00 0.00 0.00 179.01 178.85 2rmx h HIS 91 N -0.23 0.00 0.00 4.33 2.76 -1.04 0.15 115.15 121.12 2rmx h HIS 91 Ca 0.18 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 2rmx h HIS 91 Cb 0.56 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2rmx h HIS 91 CO -0.68 0.00 -1.51 1.19 -1.30 0.00 0.00 177.93 175.62 2rmx n PHE 92 N -3.06 0.61 0.33 5.26 3.72 0.34 -3.08 117.46 121.58 2rmx n PHE 92 Ca -0.02 0.19 0.15 0.00 -0.05 0.00 0.00 57.45 57.71 2rmx n PHE 92 Cb 0.19 -0.86 0.62 0.00 -0.94 0.00 0.00 39.48 38.49 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 0.31 0.37 116.57 117.74 2rmx h LYS 93 Ca -0.09 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.42 2rmx h LYS 93 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 2rmx h LYS 93 CO 0.01 0.00 -2.04 0.36 -0.57 0.00 0.00 179.45 177.22 2rmx n LYS 94 N -2.66 0.63 -0.08 3.15 2.85 -1.17 -4.50 118.16 116.39 2rmx n LYS 94 Ca 0.01 0.09 -0.08 0.00 -1.05 0.00 0.00 58.31 57.27 2rmx n LYS 94 Cb 0.25 -1.37 -0.03 0.00 -0.65 0.00 0.00 35.03 33.23 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 -2.96 1.45 0.00 0.58 -2.24 -1.18 -5.09 114.28 104.84 2rmx n THR 95 Ca -0.31 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2rmx n THR 95 Cb 0.86 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 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 1.55 1.95 3.60 3.38 0.00 0.13 -5.01 105.19 110.78 2rmx n GLY 96 Ca -0.13 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.44 4.43 -0.20 -0.61 1.01 -0.97 -4.92 121.20 117.49 2rmx s ILE 97 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 2rmx s ILE 97 Cb 0.00 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2rmx s ILE 97 CO 0.00 0.49 0.17 -0.70 0.00 0.00 0.00 174.94 174.91 2rmx s GLU 98 N 0.19 4.19 -0.15 2.79 2.56 -1.26 -1.23 118.70 125.78 2rmx s GLU 98 Ca 0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 54.97 54.68 2rmx s GLU 98 Cb -0.13 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.52 2rmx s GLU 98 CO 0.01 0.25 0.39 -1.21 -0.56 0.00 0.00 175.26 174.14 2rmx s GLU 99 N 0.49 4.27 0.20 4.30 2.02 0.07 -4.97 118.70 125.08 2rmx s GLU 99 Ca 0.10 0.25 -0.06 0.00 0.02 0.00 0.00 54.97 55.28 2rmx s GLU 99 Cb -0.12 -3.45 0.32 0.00 0.10 0.00 0.00 34.13 30.98 2rmx s GLU 99 CO 0.00 0.14 1.12 0.00 0.02 0.00 0.00 175.26 176.55 2rmx n ALA 100 N 3.82 0.15 -0.38 5.21 0.00 -1.26 -1.26 120.51 126.78 2rmx n ALA 100 Ca -0.09 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2rmx n ALA 100 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2rmx n ALA 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2rmx n SER 101 N -5.17 0.00 0.00 0.00 7.64 -1.26 -4.85 113.62 109.99 2rmx n SER 101 Ca 0.11 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.80 2rmx n SER 101 Cb 0.35 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.95 0.00 3.50 0.23 0.00 -0.39 -5.17 105.19 102.42 2rmx n GLY 102 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.73 -0.23 4.61 0.00 -1.23 -4.97 121.76 122.67 2rmx s ALA 103 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.59 2rmx s ALA 103 Cb 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 23.12 22.52 2rmx s ALA 103 CO 0.00 0.57 -0.09 -0.06 0.00 0.00 0.00 175.76 176.17 2rmx s PHE 104 N -1.28 2.76 0.03 0.00 0.08 -1.26 -0.75 117.98 117.56 2rmx s PHE 104 Ca 0.19 -1.94 -0.25 0.00 0.12 0.00 0.00 56.93 55.06 2rmx s PHE 104 Cb -0.10 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 2rmx s PHE 104 CO 0.11 -0.81 0.78 0.08 -0.10 0.00 0.00 175.22 175.28 2rmx s VAL 105 N 1.28 4.76 0.07 -0.44 1.01 -0.36 -4.94 120.40 121.77 2rmx s VAL 105 Ca -0.05 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.66 2rmx s VAL 105 Cb -0.18 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2rmx s VAL 105 CO -0.07 0.34 -0.23 -0.31 0.00 0.00 0.00 175.10 174.83 2rmx s TYR 106 N 0.07 2.41 -0.40 5.22 2.02 -1.26 -2.30 117.35 123.11 2rmx s TYR 106 Ca 0.39 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 2rmx s TYR 106 Cb -0.20 -1.38 0.12 0.00 -0.40 0.00 0.00 41.96 40.10 2rmx s TYR 106 CO 0.23 0.24 0.16 -0.51 -1.57 0.00 0.00 175.55 174.09 2rmx s LEU 107 N -1.57 3.56 -0.16 -1.29 1.02 -1.26 -4.28 118.68 114.70 2rmx s LEU 107 Ca 0.14 -2.35 -0.17 0.00 0.02 0.00 0.00 54.13 51.77 2rmx s LEU 107 Cb -0.10 -1.31 -0.23 0.00 0.02 0.00 0.00 46.19 44.57 2rmx s LEU 107 CO 0.05 -0.33 0.37 0.03 0.02 0.00 0.00 176.35 176.49 2rmx h ARG 108 N 7.24 0.13 -3.35 1.70 3.08 -1.71 -3.41 114.38 118.07 2rmx h ARG 108 Ca -0.06 -0.23 -0.18 0.00 0.07 0.00 0.00 59.98 59.59 2rmx h ARG 108 Cb 0.97 0.08 -0.25 0.00 0.08 0.00 0.00 29.97 30.85 2rmx h ARG 108 CO 0.54 1.11 -0.51 1.14 -1.07 0.00 0.00 179.97 181.18 2rmx s GLN 109 N -2.44 0.27 0.00 0.04 0.00 -1.23 -5.08 119.66 111.21 2rmx s GLN 109 Ca -0.24 0.11 0.00 0.00 -0.00 0.00 0.00 55.36 55.22 2rmx s GLN 109 Cb 0.05 0.12 0.00 0.00 0.00 0.00 0.00 33.01 33.18 2rmx s GLN 109 CO 0.69 -0.04 0.00 -0.35 0.00 0.00 0.00 175.29 175.58 2rmx n PRO 110 N 2.66 -0.25 -3.69 9.60 -0.04 -1.26 -2.85 135.00 139.17 2rmx n PRO 110 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 2rmx n PRO 110 Cb 0.58 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.61 0.91 0.53 0.54 5.04 -0.97 -4.63 117.35 118.14 2rmx s TYR 111 Ca 0.00 -0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 53.67 2rmx s TYR 111 Cb 0.00 -1.06 -0.02 0.00 0.35 0.00 0.00 41.96 41.23 2rmx s TYR 111 CO 0.00 -0.66 0.83 0.71 -1.34 0.00 0.00 175.55 175.09 2rmx s TYR 112 N 1.90 3.42 -0.50 4.97 2.02 -1.26 -4.88 117.35 123.02 2rmx s TYR 112 Ca 0.02 0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 57.33 2rmx s TYR 112 Cb -0.17 -2.48 0.12 0.00 -0.40 0.00 0.00 41.96 39.03 2rmx s TYR 112 CO -0.15 -0.51 0.41 -1.54 -1.57 0.00 0.00 175.55 172.19 2rmx s SER 113 N -4.19 5.89 0.00 2.29 1.04 -1.26 -4.79 113.70 112.67 2rmx s SER 113 Ca 0.50 -1.88 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2rmx s SER 113 Cb -0.10 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2rmx s SER 113 CO 0.45 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2rmx n GLY 114 N 5.02 0.24 0.00 7.32 0.00 -1.26 -4.88 105.19 111.64 2rmx n GLY 114 Ca -0.10 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.22 2rmx n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rmx n PRO 115 N 0.45 0.23 -0.06 1.61 -0.04 -1.26 -3.57 135.00 132.36 2rmx n PRO 115 Ca 0.00 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2rmx n PRO 115 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2rmx n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rmx n SER 116 N -1.26 1.57 -4.55 3.54 2.88 -1.26 -4.86 113.62 109.67 2rmx n SER 116 Ca 0.07 0.26 -0.41 0.00 -1.33 0.00 0.00 58.87 57.46 2rmx n SER 116 Cb 0.11 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 2rmx n SER 116 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rmx s SER 117 N -6.15 6.36 0.00 -3.46 0.15 -1.23 -5.25 113.70 104.12 2rmx s SER 117 Ca -0.21 -1.06 0.01 0.00 0.70 0.00 0.00 55.95 55.39 2rmx s SER 117 Cb 0.05 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 2rmx s SER 117 CO 0.30 -1.63 0.56 0.61 1.20 0.00 0.00 173.24 174.28