#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 3.90 -0.10 1.61 0.01 -1.26 -5.13 113.70 112.72 2rmx s SER 2 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2rmx s SER 2 Cb 0.00 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.76 2rmx s SER 2 CO 0.00 0.06 -0.09 -0.44 0.41 0.00 0.00 173.24 173.18 2rmx s SER 3 N -3.25 2.10 -0.36 2.44 0.01 -1.26 -5.01 113.70 108.37 2rmx s SER 3 Ca 0.28 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.27 2rmx s SER 3 Cb -0.07 -0.85 0.24 0.00 0.21 0.00 0.00 66.02 65.56 2rmx s SER 3 CO 0.15 -0.08 1.22 0.61 0.41 0.00 0.00 173.24 175.55 2rmx n GLY 4 N 4.67 -0.22 3.67 3.44 0.00 -1.26 -5.01 105.19 110.48 2rmx n GLY 4 Ca -0.15 0.18 -0.67 0.00 0.00 0.00 0.00 46.02 45.38 2rmx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rmx n SER 5 N -0.15 1.15 -4.56 1.61 2.88 -1.26 -4.90 113.62 108.38 2rmx n SER 5 Ca -0.11 1.12 -0.35 0.00 -1.33 0.00 0.00 58.87 58.20 2rmx n SER 5 Cb 0.73 -0.88 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 2rmx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rmx s SER 6 N 3.39 5.39 0.43 -3.46 0.15 -1.26 -4.92 113.70 113.42 2rmx s SER 6 Ca 1.07 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2rmx s SER 6 Cb -1.50 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 60.88 2rmx s SER 6 CO 0.80 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.95 2rmx n GLY 7 N 3.99 1.46 0.52 9.45 0.00 -1.26 -3.63 105.19 115.71 2rmx n GLY 7 Ca -0.16 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 12.44 0.10 -3.88 1.61 4.27 -1.26 -4.75 117.44 125.97 2rmx n TRP 8 Ca 0.00 -1.37 -0.35 0.00 -3.89 0.00 0.00 57.50 51.89 2rmx n TRP 8 Cb 0.00 -0.24 -0.10 0.00 -1.36 0.00 0.00 31.31 29.60 2rmx n TRP 8 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2rmx s TYR 9 N -3.14 3.22 -0.12 -2.67 5.04 -1.24 -0.12 117.35 118.32 2rmx s TYR 9 Ca 0.37 -0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.90 2rmx s TYR 9 Cb 0.35 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 40.45 2rmx s TYR 9 CO -0.04 0.00 -0.18 0.72 -1.34 0.00 0.00 175.55 174.71 2rmx n HIS 10 N 4.06 0.00 0.00 4.97 8.25 -0.75 -4.62 115.22 127.12 2rmx n HIS 10 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2rmx n HIS 10 Cb 0.52 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 2.20 1.13 3.60 -1.41 0.00 -1.26 -4.91 105.19 104.54 2rmx n GLY 11 Ca -0.22 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 2rmx n GLY 11 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rmx s HIS 12 N 0.00 1.94 -0.29 1.61 -3.43 -1.26 -2.07 115.29 111.79 2rmx s HIS 12 Ca 0.00 0.61 -0.16 0.00 -0.80 0.00 0.00 55.06 54.71 2rmx s HIS 12 Cb 0.00 -4.14 0.15 0.00 -1.43 0.00 0.00 32.58 27.17 2rmx s HIS 12 CO 0.00 -2.83 1.00 1.41 -2.00 0.00 0.00 174.74 172.32 2rmx s MET 13 N 5.37 0.35 0.22 -0.38 0.00 -1.26 -5.03 119.30 118.57 2rmx s MET 13 Ca 0.76 0.62 -0.23 0.00 0.00 0.00 0.00 55.69 56.84 2rmx s MET 13 Cb -0.22 0.09 -0.08 0.00 0.00 0.00 0.00 34.83 34.62 2rmx s MET 13 CO 0.33 -0.08 0.79 -1.12 0.00 0.00 0.00 175.02 174.94 2rmx s SER 14 N 1.37 7.24 0.00 1.11 0.01 -1.26 -4.85 113.70 117.32 2rmx s SER 14 Ca -0.09 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2rmx s SER 14 Cb -0.04 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2rmx s SER 14 CO -0.15 0.08 0.44 0.61 0.41 0.00 0.00 173.24 174.63 2rmx n GLY 15 N 1.01 -3.22 0.53 3.44 0.00 -1.26 0.05 105.19 105.73 2rmx n GLY 15 Ca -0.03 0.69 0.41 0.00 0.00 0.00 0.00 46.02 47.09 2rmx n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rmx n GLY 16 N -0.89 -0.78 0.26 -0.02 0.00 -1.26 -0.38 105.19 102.13 2rmx n GLY 16 Ca 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 2rmx n GLY 16 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2rmx h GLN 17 N 0.00 -0.62 -0.75 1.61 4.15 -0.77 -3.10 115.11 115.63 2rmx h GLN 17 Ca 0.76 0.04 0.15 0.00 0.77 0.00 0.00 58.65 60.37 2rmx h GLN 17 Cb 2.89 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 30.58 2rmx h GLN 17 CO -0.12 -0.41 -0.19 0.00 -1.93 0.00 0.00 178.83 176.18 2rmx n ALA 18 N -2.34 0.16 -0.20 3.38 0.00 0.49 0.13 120.51 122.13 2rmx n ALA 18 Ca -0.08 0.82 -0.01 0.00 0.00 0.00 0.00 53.44 54.17 2rmx n ALA 18 Cb 0.25 -0.48 0.06 0.00 0.00 0.00 0.00 19.45 19.29 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 0.01 0.65 0.00 5.08 -1.54 0.19 114.58 118.98 2rmx h GLU 19 Ca 0.35 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2rmx h GLU 19 Cb 0.54 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2rmx h GLU 19 CO -0.77 0.01 -0.42 1.15 -1.00 0.00 0.00 179.01 177.98 2rmx h THR 20 N 0.01 0.15 -0.40 1.13 2.02 0.11 0.33 112.91 116.26 2rmx h THR 20 Ca 0.30 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.56 2rmx h THR 20 Cb 0.46 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 2rmx h THR 20 CO -0.62 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.08 2rmx h LEU 21 N -1.02 -0.44 0.49 2.58 4.07 -1.00 0.32 115.31 120.32 2rmx h LEU 21 Ca -0.08 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2rmx h LEU 21 Cb 0.83 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2rmx h LEU 21 CO 0.07 -0.16 -0.24 -0.07 -1.08 0.00 0.00 178.44 176.97 2rmx h LEU 22 N -0.03 -0.56 -0.94 1.67 3.38 -0.49 -2.50 115.31 115.83 2rmx h LEU 22 Ca 0.20 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.44 2rmx h LEU 22 Cb 0.33 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.09 2rmx h LEU 22 CO -0.43 -0.39 0.44 1.56 0.09 0.00 0.00 178.44 179.70 2rmx h GLN 23 N -0.69 0.35 -0.52 1.13 4.20 -0.20 0.69 115.11 120.08 2rmx h GLN 23 Ca -0.07 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.68 2rmx h GLN 23 Cb 0.51 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2rmx h GLN 23 CO 0.11 0.23 0.34 0.00 -0.67 0.00 0.00 178.83 178.85 2rmx h ALA 24 N 1.77 1.88 -0.26 3.87 0.00 -0.22 -0.95 119.26 125.36 2rmx h ALA 24 Ca 0.62 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.43 2rmx h ALA 24 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2rmx h ALA 24 CO -0.57 0.03 -0.18 -0.22 0.00 0.00 0.00 179.25 178.30 2rmx h LYS 25 N 0.47 0.47 -0.21 0.00 1.63 0.86 -3.46 116.57 116.33 2rmx h LYS 25 Ca 0.22 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2rmx h LYS 25 Cb 0.29 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 2rmx h LYS 25 CO -0.06 0.63 -0.08 0.41 -3.45 0.00 0.00 179.45 176.90 2rmx n GLY 26 N -0.54 0.50 3.62 5.01 0.00 -0.36 -4.95 105.19 108.47 2rmx n GLY 26 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.08 4.02 0.39 1.61 0.41 -1.26 -4.98 118.70 116.80 2rmx s GLU 27 Ca 0.00 -0.16 -0.26 0.00 -0.41 0.00 0.00 54.97 54.14 2rmx s GLU 27 Cb 0.00 -3.62 -0.09 0.00 -1.78 0.00 0.00 34.13 28.64 2rmx s GLU 27 CO 0.00 -0.14 1.20 -1.25 -0.49 0.00 0.00 175.26 174.58 2rmx s PRO 28 N 1.64 4.11 -0.87 0.39 0.04 -1.26 -3.35 135.00 135.70 2rmx s PRO 28 Ca 0.10 1.92 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2rmx s PRO 28 Cb -0.15 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2rmx s PRO 28 CO 0.09 -0.29 0.34 0.91 0.04 0.00 0.00 177.00 178.08 2rmx n TRP 29 N 0.23 -1.09 -3.12 0.56 5.03 0.13 -4.82 117.44 114.36 2rmx n TRP 29 Ca 0.03 0.29 -0.45 0.00 3.03 0.00 0.00 57.50 60.40 2rmx n TRP 29 Cb 0.45 -2.95 -0.04 0.00 -1.03 0.00 0.00 31.31 27.75 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 -2.88 4.93 0.37 -0.99 2.01 -1.21 -2.19 115.64 115.67 2rmx s THR 30 Ca 0.17 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 60.84 2rmx s THR 30 Cb -0.07 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2rmx s THR 30 CO 0.21 -1.16 0.64 0.72 -0.69 0.00 0.00 174.62 174.34 2rmx s PHE 31 N 2.31 3.51 -0.28 4.92 -0.71 -1.11 -1.76 117.98 124.86 2rmx s PHE 31 Ca 0.15 0.65 -0.22 0.00 -1.04 0.00 0.00 56.93 56.47 2rmx s PHE 31 Cb -0.20 -2.14 0.09 0.00 -1.21 0.00 0.00 43.02 39.56 2rmx s PHE 31 CO 0.02 0.00 0.78 -0.48 -1.34 0.00 0.00 175.22 174.20 2rmx s LEU 32 N -4.14 -0.75 0.04 -1.99 0.05 -0.08 -2.39 118.68 109.42 2rmx s LEU 32 Ca 0.45 1.34 -0.04 0.00 0.05 0.00 0.00 54.13 55.93 2rmx s LEU 32 Cb -0.10 2.30 -0.05 0.00 -2.05 0.00 0.00 46.19 46.30 2rmx s LEU 32 CO 0.36 -0.22 0.25 -0.69 -0.55 0.00 0.00 176.35 175.50 2rmx s VAL 33 N 0.80 5.33 -0.10 1.48 1.01 0.82 -2.34 120.40 127.40 2rmx s VAL 33 Ca -0.03 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2rmx s VAL 33 Cb -0.05 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.82 2rmx s VAL 33 CO -0.07 0.24 0.70 0.00 0.00 0.00 0.00 175.10 175.97 2rmx s ARG 34 N -2.17 0.99 0.24 2.72 1.70 -1.18 -1.82 118.95 119.44 2rmx s ARG 34 Ca 0.32 0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 55.69 2rmx s ARG 34 Cb -0.13 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.62 2rmx s ARG 34 CO 0.21 -0.28 1.51 -1.21 -1.08 0.00 0.00 175.30 174.46 2rmx s GLU 35 N -0.85 4.22 0.38 3.89 2.02 -0.88 -2.69 118.70 124.79 2rmx s GLU 35 Ca -0.08 2.39 -0.25 0.00 0.02 0.00 0.00 54.97 57.05 2rmx s GLU 35 Cb -0.01 -3.09 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 2rmx s GLU 35 CO 0.08 -0.52 1.06 0.45 0.02 0.00 0.00 175.26 176.35 2rmx s SER 36 N 0.56 6.81 -0.25 -0.19 0.15 -1.13 -4.67 113.70 114.99 2rmx s SER 36 Ca 0.63 2.09 -0.04 0.00 0.70 0.00 0.00 55.95 59.33 2rmx s SER 36 Cb -0.44 -2.59 -0.14 0.00 -1.71 0.00 0.00 66.02 61.14 2rmx s SER 36 CO 0.42 -0.45 -0.26 0.18 1.20 0.00 0.00 173.24 174.32 2rmx n LEU 37 N 0.12 2.47 0.18 3.45 4.77 -1.26 -4.63 117.00 122.11 2rmx n LEU 37 Ca 0.04 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 2rmx n LEU 37 Cb 0.49 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2rmx n LEU 37 CO 0.47 0.74 0.54 0.28 -1.33 0.00 0.00 177.39 178.09 2rmx h SER 38 N -0.39 -1.40 -3.29 -1.43 0.02 -1.97 -3.41 113.55 101.67 2rmx h SER 38 Ca -0.58 0.14 -0.66 0.00 -0.84 0.00 0.00 61.79 59.85 2rmx h SER 38 Cb 1.71 0.50 -0.16 0.00 0.14 0.00 0.00 62.40 64.59 2rmx h SER 38 CO -0.22 -0.58 -0.62 -1.58 -1.14 0.00 0.00 176.83 172.70 2rmx s GLN 39 N -5.86 3.36 0.28 3.45 0.74 -1.26 -5.09 119.66 115.28 2rmx s GLN 39 Ca -0.17 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.53 2rmx s GLN 39 Cb 0.06 -2.91 -0.10 0.00 1.10 0.00 0.00 33.01 31.16 2rmx s GLN 39 CO 0.62 0.51 1.25 -1.25 -0.55 0.00 0.00 175.29 175.87 2rmx s PRO 40 N -0.35 4.44 0.00 1.67 0.04 -1.26 -3.73 135.00 135.81 2rmx s PRO 40 Ca 0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2rmx s PRO 40 Cb -0.12 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2rmx s PRO 40 CO 0.02 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2rmx n GLY 41 N 1.34 1.48 3.19 0.56 0.00 -1.26 -4.95 105.19 105.55 2rmx n GLY 41 Ca 0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.45 -4.22 -4.60 1.61 9.92 -1.24 -4.78 116.55 116.69 2rmx n ASP 42 Ca 0.00 0.35 -0.27 0.00 -0.53 0.00 0.00 54.79 54.34 2rmx n ASP 42 Cb 0.00 -0.92 -0.11 0.00 -0.64 0.00 0.00 41.12 39.45 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 -2.06 2.47 -0.00 1.24 0.40 -0.66 -2.84 117.98 116.53 2rmx s PHE 43 Ca 0.50 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 2rmx s PHE 43 Cb -0.27 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2rmx s PHE 43 CO 0.74 0.45 -0.07 0.08 0.70 0.00 0.00 175.22 177.11 2rmx s VAL 44 N -2.73 0.56 -0.22 -0.44 1.01 -1.09 0.05 120.40 117.55 2rmx s VAL 44 Ca 0.35 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2rmx s VAL 44 Cb 0.09 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2rmx s VAL 44 CO 0.18 0.14 -0.12 -0.22 0.00 0.00 0.00 175.10 175.07 2rmx s LEU 45 N -0.23 2.75 -0.04 3.92 2.96 0.02 -3.12 118.68 124.95 2rmx s LEU 45 Ca 0.02 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 2rmx s LEU 45 Cb -0.03 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2rmx s LEU 45 CO -0.00 -0.07 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.47 2rmx s SER 46 N 1.30 4.83 -0.06 3.68 0.01 -0.99 -1.19 113.70 121.28 2rmx s SER 46 Ca 0.02 -0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 2rmx s SER 46 Cb -0.15 -1.23 0.02 0.00 0.21 0.00 0.00 66.02 64.87 2rmx s SER 46 CO -0.08 0.33 0.15 -0.69 0.41 0.00 0.00 173.24 173.36 2rmx s VAL 47 N -0.92 -0.01 -0.71 3.43 1.01 -0.87 -0.91 120.40 121.43 2rmx s VAL 47 Ca 0.15 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2rmx s VAL 47 Cb -0.11 -0.22 0.13 0.00 0.00 0.00 0.00 36.38 36.17 2rmx s VAL 47 CO 0.05 0.01 0.82 -0.22 0.00 0.00 0.00 175.10 175.76 2rmx s LEU 48 N 0.30 5.51 0.94 3.92 2.96 -0.72 -0.05 118.68 131.54 2rmx s LEU 48 Ca -0.02 -1.76 -0.12 0.00 -0.22 0.00 0.00 54.13 52.01 2rmx s LEU 48 Cb -0.03 -2.31 0.08 0.00 0.50 0.00 0.00 46.19 44.43 2rmx s LEU 48 CO -0.01 -1.03 0.67 -1.54 -1.32 0.00 0.00 176.35 173.13 2rmx n SER 49 N 6.03 -1.22 -0.16 3.68 3.41 0.42 0.18 113.62 125.97 2rmx n SER 49 Ca 0.02 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 2rmx n SER 49 Cb 0.45 -1.30 0.73 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.42 0.50 -4.57 4.04 2.03 -1.26 -4.10 116.55 110.77 2rmx n ASP 50 Ca 0.08 -1.26 -0.42 0.00 0.52 0.00 0.00 54.79 53.72 2rmx n ASP 50 Cb 0.53 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.98 3.66 0.54 -0.67 -0.21 -1.26 -4.98 119.66 114.75 2rmx s GLN 51 Ca 0.41 -0.03 -0.19 0.00 0.02 0.00 0.00 55.36 55.56 2rmx s GLN 51 Cb 0.20 -3.81 -0.06 0.00 1.00 0.00 0.00 33.01 30.34 2rmx s GLN 51 CO 0.32 -0.70 1.13 -1.25 -2.12 0.00 0.00 175.29 172.67 2rmx s PRO 52 N 2.59 3.36 0.25 2.91 0.04 -1.26 -1.67 135.00 141.22 2rmx s PRO 52 Ca 0.22 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 2rmx s PRO 52 Cb -0.15 -2.01 0.33 0.00 0.04 0.00 0.00 34.50 32.72 2rmx s PRO 52 CO 0.14 -0.84 1.87 0.87 0.04 0.00 0.00 177.00 179.09 2rmx h LYS 53 N 1.20 1.06 0.00 4.56 1.57 -1.80 -3.39 116.57 119.78 2rmx h LYS 53 Ca -0.50 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2rmx h LYS 53 Cb 1.26 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2rmx h LYS 53 CO 0.57 0.70 -0.62 0.00 -0.57 0.00 0.00 179.45 179.53 2rmx n ALA 54 N -2.36 2.55 0.00 3.86 0.00 -1.26 -5.09 120.51 118.21 2rmx n ALA 54 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2rmx n ALA 54 Cb 0.15 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 2.58 -0.80 3.56 0.00 0.00 -1.26 -5.03 105.19 104.23 2rmx n GLY 55 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.54 2.56 0.00 1.61 0.04 -1.26 -2.61 135.00 134.80 2rmx s PRO 56 Ca 0.00 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2rmx s PRO 56 Cb 0.00 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.60 2rmx s PRO 56 CO 0.00 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2rmx n GLY 57 N 6.65 1.66 3.82 0.56 0.00 -1.26 -5.14 105.19 111.48 2rmx n GLY 57 Ca 0.37 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 6.21 -0.22 1.61 1.04 -1.07 -4.98 113.70 116.29 2rmx s SER 58 Ca 0.00 1.73 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 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 -0.87 1.62 -2.16 0.98 0.00 0.00 173.24 172.81 2rmx s PRO 59 N -3.93 3.79 0.39 4.02 0.04 -1.26 -4.55 135.00 133.49 2rmx s PRO 59 Ca 0.62 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 2rmx s PRO 59 Cb -0.13 -4.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.24 2rmx s PRO 59 CO 0.32 -1.30 -0.01 1.28 0.04 0.00 0.00 177.00 177.33 2rmx n LEU 60 N 8.46 -2.79 -4.77 -3.56 4.77 -1.26 -3.85 117.00 113.99 2rmx n LEU 60 Ca 0.19 0.63 -0.37 0.00 -0.03 0.00 0.00 56.01 56.43 2rmx n LEU 60 Cb 0.45 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2rmx n LEU 60 CO 0.65 -3.85 0.79 -0.60 -1.33 0.00 0.00 177.39 173.05 2rmx s ARG 61 N -0.86 4.06 -0.06 3.23 6.06 -0.67 -4.70 118.95 126.01 2rmx s ARG 61 Ca 0.50 1.68 0.00 0.00 -2.50 0.00 0.00 55.73 55.41 2rmx s ARG 61 Cb -0.49 -2.58 -0.03 0.00 0.06 0.00 0.00 34.95 31.91 2rmx s ARG 61 CO 0.55 -0.27 -0.04 0.08 -2.50 0.00 0.00 175.30 173.12 2rmx s VAL 62 N -1.54 3.95 -0.29 7.11 1.01 -1.26 -0.44 120.40 128.95 2rmx s VAL 62 Ca 0.58 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2rmx s VAL 62 Cb -0.27 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.50 2rmx s VAL 62 CO 0.33 0.55 -0.02 -0.89 0.00 0.00 0.00 175.10 175.07 2rmx s THR 63 N -0.89 2.88 -0.40 3.92 2.01 0.93 -4.94 115.64 119.14 2rmx s THR 63 Ca 0.14 -1.37 -0.16 0.00 0.31 0.00 0.00 61.69 60.61 2rmx s THR 63 Cb -0.11 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.78 2rmx s THR 63 CO 0.03 -0.06 0.39 -1.00 -0.69 0.00 0.00 174.62 173.29 2rmx s HIS 64 N 1.24 3.19 -0.07 4.92 3.76 -1.26 -2.04 115.29 125.04 2rmx s HIS 64 Ca -0.05 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 2rmx s HIS 64 Cb -0.19 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 2rmx s HIS 64 CO -0.02 -0.62 -0.14 0.42 -0.85 0.00 0.00 174.74 173.53 2rmx s ILE 65 N 2.00 3.07 0.41 0.60 1.01 -0.33 -4.99 121.20 122.97 2rmx s ILE 65 Ca 0.10 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 2rmx s ILE 65 Cb -0.17 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 2rmx s ILE 65 CO 0.12 0.58 1.02 -0.54 0.00 0.00 0.00 174.94 176.12 2rmx s LYS 66 N -0.53 4.16 -0.40 2.79 3.01 -1.26 -0.80 119.74 126.72 2rmx s LYS 66 Ca 0.07 1.39 0.03 0.00 -1.01 0.00 0.00 55.97 56.45 2rmx s LYS 66 Cb -0.12 -2.43 0.11 0.00 -1.01 0.00 0.00 37.83 34.39 2rmx s LYS 66 CO 0.01 -0.12 0.14 0.08 0.51 0.00 0.00 175.35 175.97 2rmx s VAL 67 N -1.80 2.00 0.79 3.17 1.01 0.11 -4.70 120.40 120.99 2rmx s VAL 67 Ca 0.59 -2.48 -0.11 0.00 0.00 0.00 0.00 61.98 59.98 2rmx s VAL 67 Cb -0.18 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.82 2rmx s VAL 67 CO 0.23 -0.71 1.09 -0.04 0.00 0.00 0.00 175.10 175.68 2rmx s MET 68 N 0.63 2.12 -0.20 2.72 -1.94 -0.12 -1.65 119.30 120.86 2rmx s MET 68 Ca 0.13 0.71 0.01 0.00 -1.71 0.00 0.00 55.69 54.84 2rmx s MET 68 Cb -0.21 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 34.75 2rmx s MET 68 CO -0.08 -1.61 -0.13 0.00 -0.01 0.00 0.00 175.02 173.19 2rmx n GLU 70 N 4.64 3.22 -3.82 0.00 -0.58 0.22 -4.65 120.64 119.67 2rmx n GLU 70 Ca -0.16 -3.22 -0.30 0.00 -0.42 0.00 0.00 57.16 53.06 2rmx n GLU 70 Cb 0.47 -3.21 0.01 0.00 -0.57 0.00 0.00 31.44 28.13 2rmx n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rmx n GLY 71 N 4.12 -1.06 0.00 0.62 0.00 -1.26 -2.20 105.19 105.40 2rmx n GLY 71 Ca 0.46 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.70 3.12 3.90 -0.02 0.00 -1.26 -5.07 105.19 104.16 2rmx n GLY 72 Ca -0.24 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 2rmx n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rmx n ARG 73 N 0.00 0.61 -4.36 1.61 3.00 -0.94 -4.83 116.66 111.76 2rmx n ARG 73 Ca 0.00 -3.18 -0.23 0.00 -0.01 0.00 0.00 57.85 54.43 2rmx n ARG 73 Cb 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 32.46 32.17 2rmx n ARG 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2rmx s TYR 74 N -2.63 1.65 0.21 -1.55 2.02 -0.64 0.68 117.35 117.09 2rmx s TYR 74 Ca 0.57 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 2rmx s TYR 74 Cb -0.05 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 2rmx s TYR 74 CO 0.36 0.14 0.42 -0.08 -1.57 0.00 0.00 175.55 174.82 2rmx s THR 75 N -1.06 0.02 -0.47 -0.71 -1.32 -0.02 -1.09 115.64 110.99 2rmx s THR 75 Ca 0.05 -1.28 0.03 0.00 -1.21 0.00 0.00 61.69 59.27 2rmx s THR 75 Cb -0.09 -1.97 0.14 0.00 -1.51 0.00 0.00 72.50 69.07 2rmx s THR 75 CO 0.03 -0.11 0.28 0.68 -2.21 0.00 0.00 174.62 173.28 2rmx s VAL 76 N -3.98 1.51 0.00 5.08 -7.23 -1.26 -0.94 120.40 113.57 2rmx s VAL 76 Ca 0.18 -2.77 0.00 0.00 -1.81 0.00 0.00 61.98 57.58 2rmx s VAL 76 Cb 0.01 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2rmx s VAL 76 CO 0.04 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 2rmx n GLY 77 N 3.30 1.11 1.04 2.32 0.00 -1.26 -4.88 105.19 106.81 2rmx n GLY 77 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.30 0.07 -0.02 0.00 -1.26 -4.94 105.19 95.74 2rmx n GLY 78 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 0.50 -4.17 0.99 4.77 -1.26 -4.97 117.00 112.86 2rmx n LEU 79 Ca 0.04 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.87 2rmx n LEU 79 Cb 0.17 0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.39 2rmx n LEU 79 CO 0.11 -0.03 -1.17 -0.62 -1.33 0.00 0.00 177.39 174.35 2rmx n GLU 80 N -2.57 -0.90 -3.62 3.23 1.02 -1.26 -5.03 120.64 111.52 2rmx n GLU 80 Ca -0.05 -0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 56.73 2rmx n GLU 80 Cb 0.64 -1.41 -0.05 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 -2.14 0.06 0.01 2.62 -4.23 -1.26 -4.52 115.64 106.18 2rmx s THR 81 Ca 0.48 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2rmx s THR 81 Cb -0.04 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 2rmx s THR 81 CO 0.67 -0.29 0.02 -0.36 -0.54 0.00 0.00 174.62 174.12 2rmx s PHE 82 N -3.63 0.12 0.26 3.99 0.40 -0.25 -4.90 117.98 113.96 2rmx s PHE 82 Ca 0.02 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2rmx s PHE 82 Cb 0.01 -0.10 0.51 0.00 0.51 0.00 0.00 43.02 43.95 2rmx s PHE 82 CO -0.11 -0.15 1.62 -0.44 0.70 0.00 0.00 175.22 176.84 2rmx h ASP 83 N 5.07 -0.39 -2.12 1.36 3.32 -1.91 -1.71 116.42 120.04 2rmx h ASP 83 Ca -0.29 0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.05 2rmx h ASP 83 Cb 1.21 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 2rmx h ASP 83 CO 0.43 -0.22 0.36 -1.54 -1.72 0.00 0.00 179.24 176.56 2rmx n SER 84 N -5.38 -1.37 -0.25 6.45 3.41 -1.26 -4.62 113.62 110.60 2rmx n SER 84 Ca 0.16 -1.80 0.27 0.00 -0.26 0.00 0.00 58.87 57.24 2rmx n SER 84 Cb 0.53 2.24 0.65 0.00 -0.26 0.00 0.00 64.21 67.38 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 0.16 0.50 1.04 -0.00 -1.98 0.16 115.31 115.19 2rmx h LEU 85 Ca -0.21 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 2rmx h LEU 85 Cb 0.87 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2rmx h LEU 85 CO 0.28 0.04 -0.24 0.74 -0.00 0.00 0.00 178.44 179.26 2rmx h THR 86 N 0.15 0.40 -0.43 0.22 2.02 -1.97 0.82 112.91 114.10 2rmx h THR 86 Ca 0.49 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 2rmx h THR 86 Cb 1.69 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2rmx h THR 86 CO -0.09 0.05 0.08 -0.78 0.37 0.00 0.00 175.52 175.15 2rmx h ASP 87 N -0.95 0.61 0.48 4.18 3.58 -1.64 -0.25 116.42 122.43 2rmx h ASP 87 Ca -0.07 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2rmx h ASP 87 Cb 0.60 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2rmx h ASP 87 CO 0.11 0.63 -0.23 0.25 -2.88 0.00 0.00 179.24 177.12 2rmx h LEU 88 N 0.63 -0.54 0.20 2.28 6.46 -0.71 -2.59 115.31 121.05 2rmx h LEU 88 Ca 0.14 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2rmx h LEU 88 Cb 0.28 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 2rmx h LEU 88 CO 0.00 -0.26 -0.33 0.58 -0.62 0.00 0.00 178.44 177.81 2rmx h VAL 89 N -0.90 0.31 -0.58 1.05 2.07 -0.84 -2.23 116.25 115.13 2rmx h VAL 89 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2rmx h VAL 89 Cb 0.49 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 2rmx h VAL 89 CO 0.11 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.88 2rmx h GLU 90 N -0.60 -0.17 -0.22 1.57 5.08 -1.15 1.30 114.58 120.39 2rmx h GLU 90 Ca 0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2rmx h GLU 90 Cb 0.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2rmx h GLU 90 CO -0.14 -0.11 0.37 1.25 -1.00 0.00 0.00 179.01 179.38 2rmx h HIS 91 N -0.18 0.00 0.00 4.33 2.76 -1.31 0.67 115.15 121.42 2rmx h HIS 91 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2rmx h HIS 91 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2rmx h HIS 91 CO -0.85 0.00 -1.09 1.19 -1.30 0.00 0.00 177.93 175.87 2rmx n PHE 92 N -3.38 0.37 0.25 5.26 3.72 0.37 -2.89 117.46 121.16 2rmx n PHE 92 Ca 0.03 0.11 0.14 0.00 -0.05 0.00 0.00 57.45 57.68 2rmx n PHE 92 Cb 0.49 -0.54 0.44 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.70 -1.23 116.57 116.53 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 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 2rmx h LYS 93 CO 0.00 0.04 -1.99 0.36 -0.57 0.00 0.00 179.45 177.30 2rmx n LYS 94 N -3.13 1.08 -0.03 3.15 2.85 -1.13 -4.60 118.16 116.35 2rmx n LYS 94 Ca 0.02 0.05 -0.01 0.00 -1.05 0.00 0.00 58.31 57.32 2rmx n LYS 94 Cb 0.42 -1.36 -0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 -1.59 -3.52 112.91 109.73 2rmx h THR 95 Ca -0.39 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2rmx h THR 95 Cb 1.74 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2rmx h THR 95 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 2rmx n GLY 96 N 1.80 2.96 3.84 5.82 0.00 -0.46 -5.05 105.19 114.09 2rmx n GLY 96 Ca -0.02 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.79 5.03 -0.25 -0.61 1.01 -0.91 -4.95 121.20 118.73 2rmx s ILE 97 Ca 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 60.65 61.41 2rmx s ILE 97 Cb 0.00 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2rmx s ILE 97 CO 0.00 0.53 -0.03 -0.70 0.00 0.00 0.00 174.94 174.74 2rmx s GLU 98 N -1.21 2.99 0.30 2.79 2.12 -1.26 -0.96 118.70 123.46 2rmx s GLU 98 Ca 0.25 -0.88 -0.27 0.00 0.36 0.00 0.00 54.97 54.43 2rmx s GLU 98 Cb -0.16 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.08 2rmx s GLU 98 CO 0.14 -0.36 0.95 -1.21 -0.54 0.00 0.00 175.26 174.24 2rmx s GLU 99 N 1.39 4.66 0.17 4.30 2.02 0.30 -4.94 118.70 126.60 2rmx s GLU 99 Ca 0.02 1.40 -0.28 0.00 0.02 0.00 0.00 54.97 56.13 2rmx s GLU 99 Cb -0.16 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.11 2rmx s GLU 99 CO -0.03 0.34 1.54 0.00 0.02 0.00 0.00 175.26 177.13 2rmx h ALA 100 N 3.49 -0.40 -1.22 5.21 0.00 -1.99 1.16 119.26 125.50 2rmx h ALA 100 Ca -0.46 0.15 0.35 0.00 0.00 0.00 0.00 54.91 54.94 2rmx h ALA 100 Cb 1.20 1.28 -0.07 0.00 0.00 0.00 0.00 17.79 20.20 2rmx h ALA 100 CO 0.66 -0.90 0.84 0.66 0.00 0.00 0.00 179.25 180.52 2rmx h SER 101 N -0.02 0.14 0.00 0.00 4.64 -2.05 -3.44 113.55 112.82 2rmx h SER 101 Ca 0.20 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2rmx h SER 101 Cb 0.46 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2rmx h SER 101 CO -0.93 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.64 2rmx n GLY 102 N -1.68 2.96 3.06 -0.77 0.00 0.40 -5.12 105.19 104.04 2rmx n GLY 102 Ca 0.28 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2rmx n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rmx n ALA 103 N 0.00 -3.80 -3.93 4.61 0.00 -1.25 -4.36 120.51 111.78 2rmx n ALA 103 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.91 2rmx n ALA 103 Cb 0.00 -1.28 -0.17 0.00 0.00 0.00 0.00 19.45 18.01 2rmx n ALA 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2rmx s PHE 104 N -1.93 1.75 -0.00 0.00 0.40 -1.26 -0.54 117.98 116.40 2rmx s PHE 104 Ca 0.50 -0.99 -0.19 0.00 -0.60 0.00 0.00 56.93 55.65 2rmx s PHE 104 Cb -0.38 -1.36 -0.06 0.00 0.51 0.00 0.00 43.02 41.74 2rmx s PHE 104 CO 0.69 -0.59 0.54 0.08 0.70 0.00 0.00 175.22 176.64 2rmx s VAL 105 N 1.62 4.93 -0.02 -0.44 1.01 -0.14 -4.96 120.40 122.40 2rmx s VAL 105 Ca 0.03 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.21 2rmx s VAL 105 Cb -0.14 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2rmx s VAL 105 CO -0.09 0.47 -0.24 -0.31 0.00 0.00 0.00 175.10 174.93 2rmx s TYR 106 N -0.46 2.17 -0.63 5.22 2.02 -1.26 -2.13 117.35 122.28 2rmx s TYR 106 Ca 0.28 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 2rmx s TYR 106 Cb -0.18 -1.40 0.16 0.00 -0.40 0.00 0.00 41.96 40.14 2rmx s TYR 106 CO 0.16 -0.06 0.42 -0.51 -1.57 0.00 0.00 175.55 173.99 2rmx s LEU 107 N -0.51 4.86 -0.15 -1.29 1.02 -1.26 -4.29 118.68 117.07 2rmx s LEU 107 Ca 0.08 -3.19 -0.24 0.00 0.02 0.00 0.00 54.13 50.80 2rmx s LEU 107 Cb -0.10 -1.75 -0.21 0.00 0.02 0.00 0.00 46.19 44.16 2rmx s LEU 107 CO -0.00 -0.25 0.55 0.03 0.02 0.00 0.00 176.35 176.70 2rmx h ARG 108 N 6.44 0.00 -3.82 1.70 3.08 -1.73 -3.43 114.38 116.61 2rmx h ARG 108 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 2rmx h ARG 108 Cb 0.88 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.67 2rmx h ARG 108 CO 0.72 0.85 -0.72 1.14 -1.07 0.00 0.00 179.97 180.90 2rmx s GLN 109 N -2.17 0.10 0.00 0.04 0.00 -1.18 -5.07 119.66 111.38 2rmx s GLN 109 Ca -0.18 -0.18 0.00 0.00 -0.00 0.00 0.00 55.36 55.00 2rmx s GLN 109 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 33.01 33.02 2rmx s GLN 109 CO 0.58 -0.01 0.00 -0.35 0.00 0.00 0.00 175.29 175.51 2rmx n PRO 110 N 2.66 0.12 -3.68 9.60 -0.04 -1.26 -2.74 135.00 139.65 2rmx n PRO 110 Ca -0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.04 2rmx n PRO 110 Cb 0.59 0.00 -0.17 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 -0.44 0.59 0.03 0.54 5.04 -1.01 -4.60 117.35 117.50 2rmx s TYR 111 Ca 0.00 -0.51 -0.09 0.00 -2.44 0.00 0.00 57.07 54.03 2rmx s TYR 111 Cb 0.00 -0.84 -0.05 0.00 0.35 0.00 0.00 41.96 41.42 2rmx s TYR 111 CO 0.00 -0.52 0.34 0.71 -1.34 0.00 0.00 175.55 174.73 2rmx s TYR 112 N 2.00 3.61 -0.12 4.97 2.02 -1.26 -4.85 117.35 123.71 2rmx s TYR 112 Ca 0.01 0.73 -0.07 0.00 -0.37 0.00 0.00 57.07 57.37 2rmx s TYR 112 Cb -0.16 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 2rmx s TYR 112 CO -0.08 0.59 -0.13 1.03 -1.57 0.00 0.00 175.55 175.39 2rmx h SER 113 N 4.06 0.00 -4.13 2.29 0.87 -1.93 -3.48 113.55 111.23 2rmx h SER 113 Ca -0.50 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.56 2rmx h SER 113 Cb 1.20 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.20 2rmx h SER 113 CO 0.65 0.63 0.33 -0.83 -0.53 0.00 0.00 176.83 177.08 2rmx s GLY 114 N -3.93 1.80 0.91 5.77 0.00 -1.26 -5.06 107.32 105.55 2rmx s GLY 114 Ca -0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 2rmx s GLY 114 CO 0.16 0.17 1.09 2.56 0.00 0.00 0.00 173.10 177.08 2rmx s PRO 115 N -4.63 1.11 0.15 2.90 0.04 -1.26 -4.85 135.00 128.47 2rmx s PRO 115 Ca 0.55 0.77 -0.34 0.00 0.04 0.00 0.00 61.00 62.02 2rmx s PRO 115 Cb -0.10 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 2rmx s PRO 115 CO 0.43 -2.33 1.54 0.43 0.04 0.00 0.00 177.00 177.11 2rmx n SER 116 N -3.94 2.87 -4.43 6.66 7.64 -1.26 -4.90 113.62 116.27 2rmx n SER 116 Ca 0.07 1.09 -0.35 0.00 1.01 0.00 0.00 58.87 60.68 2rmx n SER 116 Cb 0.56 -1.39 0.08 0.00 -1.01 0.00 0.00 64.21 62.44 2rmx n SER 116 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2rmx n SER 117 N 3.23 -1.71 0.00 6.43 7.64 -1.26 -5.19 113.62 122.77 2rmx n SER 117 Ca 0.17 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2rmx n SER 117 Cb 0.27 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2rmx n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64