#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 4.56 0.07 1.61 1.04 -1.26 -5.09 113.70 114.64 2rmx s SER 2 Ca 0.00 -1.22 -0.10 0.00 0.48 0.00 0.00 55.95 55.11 2rmx s SER 2 Cb 0.00 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.49 2rmx s SER 2 CO 0.00 -0.20 0.21 -0.44 0.98 0.00 0.00 173.24 173.79 2rmx s SER 3 N 1.21 0.06 0.00 7.02 0.01 -1.26 -5.17 113.70 115.58 2rmx s SER 3 Ca -0.05 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2rmx s SER 3 Cb -0.19 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2rmx s SER 3 CO -0.03 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2rmx n GLY 4 N 0.19 1.13 3.27 3.44 0.00 -1.26 -5.01 105.19 106.95 2rmx n GLY 4 Ca -0.16 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.00 5.87 0.05 1.61 0.01 -1.26 -4.93 113.70 114.05 2rmx s SER 5 Ca 0.00 -1.71 -0.17 0.00 1.31 0.00 0.00 55.95 55.38 2rmx s SER 5 Cb 0.00 -2.08 -0.19 0.00 0.21 0.00 0.00 66.02 63.96 2rmx s SER 5 CO 0.00 -0.69 1.21 0.28 0.41 0.00 0.00 173.24 174.44 2rmx h SER 6 N 8.59 0.68 0.00 2.44 0.02 -1.96 -3.50 113.55 119.83 2rmx h SER 6 Ca -0.25 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2rmx h SER 6 Cb 1.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2rmx h SER 6 CO 0.88 1.26 0.00 0.61 -1.14 0.00 0.00 176.83 178.44 2rmx n GLY 7 N 0.82 0.11 0.68 -3.77 0.00 -1.26 -4.88 105.19 96.90 2rmx n GLY 7 Ca -0.09 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.50 2rmx n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rmx n TRP 8 N 0.00 0.50 -3.48 1.61 -0.00 -1.26 -4.81 117.44 110.00 2rmx n TRP 8 Ca 0.00 -1.28 -0.38 0.00 -0.00 0.00 0.00 57.50 55.83 2rmx n TRP 8 Cb 0.00 -0.31 -0.09 0.00 -0.00 0.00 0.00 31.31 30.91 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 -3.07 3.27 -0.23 -2.67 5.04 -1.26 0.07 117.35 118.50 2rmx s TYR 9 Ca 0.39 0.35 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 2rmx s TYR 9 Cb 0.35 -2.47 -0.11 0.00 0.35 0.00 0.00 41.96 40.08 2rmx s TYR 9 CO 0.01 -0.12 -0.24 0.72 -1.34 0.00 0.00 175.55 174.57 2rmx n HIS 10 N 4.94 0.26 0.00 4.97 8.25 0.24 -4.99 115.22 128.89 2rmx n HIS 10 Ca -0.11 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2rmx n HIS 10 Cb 0.51 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2rmx n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rmx n GLY 11 N 1.36 1.09 3.59 -1.41 0.00 -1.26 -4.90 105.19 103.66 2rmx n GLY 11 Ca -0.38 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 1.85 -0.29 1.61 -3.43 -1.26 -1.63 115.29 112.14 2rmx s HIS 12 Ca 0.00 0.68 -0.18 0.00 -0.80 0.00 0.00 55.06 54.76 2rmx s HIS 12 Cb 0.00 -4.14 0.18 0.00 -1.43 0.00 0.00 32.58 27.19 2rmx s HIS 12 CO 0.00 -2.65 1.18 1.41 -2.00 0.00 0.00 174.74 172.68 2rmx s MET 13 N 5.91 0.18 0.78 -0.38 0.00 -1.26 -5.01 119.30 119.51 2rmx s MET 13 Ca 0.74 0.29 -0.09 0.00 0.00 0.00 0.00 55.69 56.63 2rmx s MET 13 Cb -0.19 0.05 0.17 0.00 0.00 0.00 0.00 34.83 34.86 2rmx s MET 13 CO 0.30 -0.03 1.06 0.43 0.00 0.00 0.00 175.02 176.78 2rmx n SER 14 N 3.06 0.52 0.00 1.11 7.64 -1.26 -4.69 113.62 119.99 2rmx n SER 14 Ca -0.17 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.06 2rmx n SER 14 Cb 0.57 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2rmx n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 15 N -2.31 -1.19 0.56 0.23 0.00 -1.26 -3.08 105.19 98.14 2rmx n GLY 15 Ca 0.15 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.50 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 0.70 -0.79 0.15 -0.02 0.00 -1.26 -0.80 105.19 103.17 2rmx n GLY 16 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.34 -0.93 1.61 4.15 -1.95 -3.15 115.11 114.50 2rmx h GLN 17 Ca 0.59 0.02 0.38 0.00 0.77 0.00 0.00 58.65 60.41 2rmx h GLN 17 Cb 3.06 0.08 -0.16 0.00 0.21 0.00 0.00 27.48 30.67 2rmx h GLN 17 CO -0.01 -0.23 0.51 0.00 -1.93 0.00 0.00 178.83 177.18 2rmx n ALA 18 N -2.29 0.95 -0.25 3.38 0.00 0.02 0.19 120.51 122.51 2rmx n ALA 18 Ca -0.04 0.91 -0.03 0.00 0.00 0.00 0.00 53.44 54.28 2rmx n ALA 18 Cb 0.14 -0.92 0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 0.82 -0.24 0.00 5.08 -1.52 0.32 114.58 119.04 2rmx h GLU 19 Ca 0.77 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 59.01 2rmx h GLU 19 Cb 2.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2rmx h GLU 19 CO -0.67 0.54 -0.12 1.15 -1.00 0.00 0.00 179.01 178.90 2rmx h THR 20 N 0.84 1.30 -0.56 1.13 2.02 0.21 0.37 112.91 118.22 2rmx h THR 20 Ca 0.29 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.19 2rmx h THR 20 Cb 0.06 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2rmx h THR 20 CO -0.12 0.37 0.07 -0.07 0.37 0.00 0.00 175.52 176.14 2rmx h LEU 21 N 0.21 0.87 0.12 2.58 4.07 -1.02 0.33 115.31 122.47 2rmx h LEU 21 Ca 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 2rmx h LEU 21 Cb 0.63 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2rmx h LEU 21 CO 0.04 0.89 -0.06 -0.07 -1.08 0.00 0.00 178.44 178.16 2rmx h LEU 22 N 0.86 -0.13 -0.71 1.67 3.38 -0.31 -3.11 115.31 116.95 2rmx h LEU 22 Ca 0.17 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.00 2rmx h LEU 22 Cb 0.41 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2rmx h LEU 22 CO 0.01 0.45 0.33 1.56 0.09 0.00 0.00 178.44 180.88 2rmx h GLN 23 N -0.99 0.52 -0.96 1.13 4.20 -0.31 -0.64 115.11 118.06 2rmx h GLN 23 Ca -0.02 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.76 2rmx h GLN 23 Cb 0.38 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 2rmx h GLN 23 CO 0.03 0.34 0.62 0.00 -0.67 0.00 0.00 178.83 179.15 2rmx h ALA 24 N 1.46 1.53 -0.79 3.87 0.00 -1.04 -1.45 119.26 122.84 2rmx h ALA 24 Ca 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2rmx h ALA 24 Cb 0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2rmx h ALA 24 CO -0.31 0.27 0.43 -0.22 0.00 0.00 0.00 179.25 179.42 2rmx h LYS 25 N 1.01 1.11 -0.92 0.00 1.63 -1.05 -3.46 116.57 114.88 2rmx h LYS 25 Ca 0.45 -0.13 -0.22 0.00 -0.85 0.00 0.00 60.65 59.90 2rmx h LYS 25 Cb 0.37 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 2rmx h LYS 25 CO -0.21 0.83 -0.23 0.41 -3.45 0.00 0.00 179.45 176.80 2rmx n GLY 26 N -1.08 0.68 3.42 5.01 0.00 -0.55 -5.00 105.19 107.66 2rmx n GLY 26 Ca 0.07 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.57 3.58 0.40 1.61 0.41 -1.26 -5.01 118.70 114.85 2rmx s GLU 27 Ca 0.00 -0.53 -0.25 0.00 -0.41 0.00 0.00 54.97 53.78 2rmx s GLU 27 Cb 0.00 -3.13 -0.08 0.00 -1.78 0.00 0.00 34.13 29.14 2rmx s GLU 27 CO 0.00 -0.09 1.19 -1.25 -0.49 0.00 0.00 175.26 174.62 2rmx s PRO 28 N 1.27 4.03 -0.97 0.39 0.04 -1.26 -3.38 135.00 135.12 2rmx s PRO 28 Ca 0.04 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2rmx s PRO 28 Cb -0.15 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 2rmx s PRO 28 CO 0.01 -0.35 0.50 0.91 0.04 0.00 0.00 177.00 178.11 2rmx n TRP 29 N 0.07 -1.43 -3.31 0.56 5.03 0.19 -4.82 117.44 113.73 2rmx n TRP 29 Ca 0.04 0.42 -0.46 0.00 3.03 0.00 0.00 57.50 60.53 2rmx n TRP 29 Cb 0.46 -3.36 -0.04 0.00 -1.03 0.00 0.00 31.31 27.34 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 -3.02 5.33 0.48 -0.99 2.01 -1.22 -2.18 115.64 116.06 2rmx s THR 30 Ca 0.25 -1.81 -0.01 0.00 0.31 0.00 0.00 61.69 60.43 2rmx s THR 30 Cb -0.11 -4.39 0.00 0.00 0.01 0.00 0.00 72.50 68.02 2rmx s THR 30 CO 0.30 -0.93 0.71 0.72 -0.69 0.00 0.00 174.62 174.74 2rmx s PHE 31 N 1.15 3.20 -0.28 4.92 -0.71 -1.15 -1.89 117.98 123.22 2rmx s PHE 31 Ca 0.08 0.28 -0.23 0.00 -1.04 0.00 0.00 56.93 56.02 2rmx s PHE 31 Cb -0.23 -2.41 0.12 0.00 -1.21 0.00 0.00 43.02 39.29 2rmx s PHE 31 CO -0.01 -0.46 0.97 -0.48 -1.34 0.00 0.00 175.22 173.89 2rmx s LEU 32 N -4.64 -0.52 0.03 -1.99 0.05 -0.27 -2.30 118.68 109.04 2rmx s LEU 32 Ca 0.50 0.97 -0.13 0.00 0.05 0.00 0.00 54.13 55.52 2rmx s LEU 32 Cb -0.10 1.96 -0.06 0.00 -2.05 0.00 0.00 46.19 45.94 2rmx s LEU 32 CO 0.39 -0.16 0.41 -0.69 -0.55 0.00 0.00 176.35 175.74 2rmx s VAL 33 N 0.50 5.05 -0.10 1.48 1.01 0.11 -2.71 120.40 125.74 2rmx s VAL 33 Ca 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 2rmx s VAL 33 Cb -0.05 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.72 2rmx s VAL 33 CO -0.07 0.46 0.65 0.00 0.00 0.00 0.00 175.10 176.14 2rmx s ARG 34 N -1.41 0.95 0.59 2.72 1.70 -1.18 -0.59 118.95 121.74 2rmx s ARG 34 Ca 0.27 0.41 -0.12 0.00 -0.47 0.00 0.00 55.73 55.82 2rmx s ARG 34 Cb -0.16 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2rmx s ARG 34 CO 0.15 -0.25 1.01 -1.21 -1.08 0.00 0.00 175.30 173.92 2rmx s GLU 35 N -0.78 3.70 0.36 3.89 0.41 -0.65 -2.27 118.70 123.35 2rmx s GLU 35 Ca -0.08 0.80 0.05 0.00 -0.41 0.00 0.00 54.97 55.33 2rmx s GLU 35 Cb -0.02 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.22 2rmx s GLU 35 CO 0.07 -0.48 0.51 0.45 -0.49 0.00 0.00 175.26 175.32 2rmx s SER 36 N -3.87 5.95 -0.14 -0.19 0.15 -0.99 -4.40 113.70 110.20 2rmx s SER 36 Ca 0.56 -0.08 -0.05 0.00 0.70 0.00 0.00 55.95 57.08 2rmx s SER 36 Cb -0.11 -1.32 -0.07 0.00 -1.71 0.00 0.00 66.02 62.82 2rmx s SER 36 CO 0.48 -0.48 -0.17 0.18 1.20 0.00 0.00 173.24 174.44 2rmx n LEU 37 N -1.73 1.54 0.24 3.45 4.32 -1.26 -4.80 117.00 118.75 2rmx n LEU 37 Ca -0.00 0.11 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 2rmx n LEU 37 Cb 0.58 -0.44 -0.05 0.00 -1.62 0.00 0.00 43.42 41.89 2rmx n LEU 37 CO 0.43 0.41 0.33 -1.28 -1.22 0.00 0.00 177.39 176.07 2rmx h SER 38 N -0.39 -0.54 -2.72 -1.43 0.87 -1.98 -3.43 113.55 103.95 2rmx h SER 38 Ca -0.35 0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 59.68 2rmx h SER 38 Cb 1.36 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2rmx h SER 38 CO -0.18 -0.25 1.00 -1.10 -0.53 0.00 0.00 176.83 175.77 2rmx s GLN 39 N -3.79 4.21 -0.25 2.24 -0.21 -1.26 -4.94 119.66 115.65 2rmx s GLN 39 Ca -0.09 2.13 -0.29 0.00 0.02 0.00 0.00 55.36 57.12 2rmx s GLN 39 Cb 0.01 -3.80 -0.02 0.00 1.00 0.00 0.00 33.01 30.20 2rmx s GLN 39 CO 0.28 -0.75 1.64 -1.25 -2.12 0.00 0.00 175.29 173.08 2rmx s PRO 40 N 3.35 3.69 -0.97 2.91 0.04 -1.26 -3.42 135.00 139.34 2rmx s PRO 40 Ca 0.70 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 2rmx s PRO 40 Cb -0.33 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 2rmx s PRO 40 CO 0.28 -1.42 0.83 0.41 0.04 0.00 0.00 177.00 177.14 2rmx n GLY 41 N 4.83 -0.51 2.92 0.56 0.00 -1.26 -5.03 105.19 106.70 2rmx n GLY 41 Ca 0.19 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.81 1.37 0.33 1.61 1.11 -1.22 -4.75 116.67 111.30 2rmx s ASP 42 Ca 0.17 -0.19 -0.05 0.00 0.18 0.00 0.00 52.55 52.65 2rmx s ASP 42 Cb -0.02 -0.60 -0.05 0.00 1.07 0.00 0.00 42.92 43.32 2rmx s ASP 42 CO 0.63 -0.05 0.61 -0.36 1.18 0.00 0.00 175.17 177.19 2rmx s PHE 43 N 1.01 3.49 0.02 4.23 0.40 -1.01 -2.35 117.98 123.77 2rmx s PHE 43 Ca -0.09 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 56.97 2rmx s PHE 43 Cb -0.14 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 2rmx s PHE 43 CO -0.00 0.07 -0.09 0.08 0.70 0.00 0.00 175.22 175.98 2rmx s VAL 44 N -2.22 0.70 -0.28 -0.44 1.01 -0.96 0.13 120.40 118.34 2rmx s VAL 44 Ca 0.45 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2rmx s VAL 44 Cb -0.10 -0.66 0.07 0.00 0.00 0.00 0.00 36.38 35.68 2rmx s VAL 44 CO 0.32 -0.06 -0.06 -0.22 0.00 0.00 0.00 175.10 175.08 2rmx s LEU 45 N -0.89 3.75 -0.15 3.92 2.96 0.65 -3.10 118.68 125.82 2rmx s LEU 45 Ca -0.02 -1.50 -0.06 0.00 -0.22 0.00 0.00 54.13 52.33 2rmx s LEU 45 Cb -0.06 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2rmx s LEU 45 CO 0.00 -0.24 0.07 -0.44 -1.32 0.00 0.00 176.35 174.43 2rmx s SER 46 N 1.11 5.78 0.01 3.68 0.01 -1.10 -1.71 113.70 121.49 2rmx s SER 46 Ca -0.05 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2rmx s SER 46 Cb -0.20 -1.90 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 2rmx s SER 46 CO -0.05 0.27 -0.05 -0.69 0.41 0.00 0.00 173.24 173.13 2rmx s VAL 47 N -0.22 0.38 -0.58 3.43 1.01 -0.97 -1.12 120.40 122.33 2rmx s VAL 47 Ca 0.08 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 2rmx s VAL 47 Cb -0.12 -0.38 0.13 0.00 0.00 0.00 0.00 36.38 36.02 2rmx s VAL 47 CO 0.01 -0.08 0.57 -0.22 0.00 0.00 0.00 175.10 175.38 2rmx s LEU 48 N -0.62 6.09 0.79 3.92 2.96 -0.79 -0.49 118.68 130.53 2rmx s LEU 48 Ca -0.03 -1.82 -0.14 0.00 -0.22 0.00 0.00 54.13 51.92 2rmx s LEU 48 Cb -0.05 -2.23 0.07 0.00 0.50 0.00 0.00 46.19 44.49 2rmx s LEU 48 CO -0.00 -0.88 1.22 -0.94 -1.32 0.00 0.00 176.35 174.43 2rmx s SER 49 N 3.47 3.69 0.00 3.68 1.04 -0.12 0.53 113.70 125.99 2rmx s SER 49 Ca 0.06 2.41 0.25 0.00 0.48 0.00 0.00 55.95 59.16 2rmx s SER 49 Cb -0.27 -2.59 1.49 0.00 0.10 0.00 0.00 66.02 64.75 2rmx s SER 49 CO 0.02 -2.60 1.87 -0.67 0.98 0.00 0.00 173.24 172.84 2rmx n ASP 50 N -3.13 0.00 -4.58 7.02 2.03 -1.26 -4.02 116.55 112.61 2rmx n ASP 50 Ca 0.14 -0.73 -0.42 0.00 0.52 0.00 0.00 54.79 54.30 2rmx n ASP 50 Cb 0.50 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.81 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 -2.05 3.77 0.56 -0.67 -0.21 -1.26 -4.98 119.66 114.82 2rmx s GLN 51 Ca 0.37 0.17 -0.19 0.00 0.02 0.00 0.00 55.36 55.73 2rmx s GLN 51 Cb 0.17 -3.78 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 2rmx s GLN 51 CO 0.30 -0.69 1.13 -1.25 -2.12 0.00 0.00 175.29 172.66 2rmx s PRO 52 N 2.71 3.26 0.11 2.91 0.04 -1.26 -1.39 135.00 141.39 2rmx s PRO 52 Ca 0.25 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 2rmx s PRO 52 Cb -0.15 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 2rmx s PRO 52 CO 0.14 -0.91 1.71 0.87 0.04 0.00 0.00 177.00 178.84 2rmx h LYS 53 N 1.01 -0.08 0.00 4.56 1.57 -1.79 -3.40 116.57 118.44 2rmx h LYS 53 Ca -0.49 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 2rmx h LYS 53 Cb 1.26 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2rmx h LYS 53 CO 0.56 -0.05 -1.13 0.00 -0.57 0.00 0.00 179.45 178.26 2rmx n ALA 54 N -2.32 2.48 0.00 3.86 0.00 -1.26 -5.07 120.51 118.20 2rmx n ALA 54 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2rmx n ALA 54 Cb 0.12 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 3.07 -0.84 3.56 0.00 0.00 -1.26 -5.03 105.19 104.68 2rmx n GLY 55 Ca -0.04 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.42 2.58 0.00 1.61 0.04 -1.26 -2.62 135.00 134.93 2rmx s PRO 56 Ca 0.00 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2rmx s PRO 56 Cb 0.00 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.68 2rmx s PRO 56 CO 0.00 -3.18 0.00 0.41 0.04 0.00 0.00 177.00 174.27 2rmx n GLY 57 N 6.51 1.97 3.81 0.56 0.00 -1.26 -5.13 105.19 111.64 2rmx n GLY 57 Ca 0.34 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 6.10 -0.20 1.61 1.04 -1.08 -4.97 113.70 116.20 2rmx s SER 58 Ca 0.00 1.77 -0.29 0.00 0.48 0.00 0.00 55.95 57.91 2rmx s SER 58 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2rmx s SER 58 CO 0.00 -0.95 1.60 -2.16 0.98 0.00 0.00 173.24 172.71 2rmx s PRO 59 N -3.92 3.86 0.51 4.02 0.04 -1.26 -4.52 135.00 133.74 2rmx s PRO 59 Ca 0.63 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 2rmx s PRO 59 Cb -0.14 -4.01 -0.12 0.00 0.04 0.00 0.00 34.50 30.26 2rmx s PRO 59 CO 0.32 -1.21 -0.26 1.28 0.04 0.00 0.00 177.00 177.17 2rmx n LEU 60 N 8.20 -3.42 -4.78 -3.56 4.77 -1.26 -3.71 117.00 113.24 2rmx n LEU 60 Ca 0.18 0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 56.20 2rmx n LEU 60 Cb 0.45 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2rmx n LEU 60 CO 0.64 -4.04 0.75 -0.60 -1.33 0.00 0.00 177.39 172.81 2rmx s ARG 61 N -1.02 4.18 -0.09 3.23 6.06 -0.48 -4.74 118.95 126.09 2rmx s ARG 61 Ca 0.40 1.55 0.01 0.00 -2.50 0.00 0.00 55.73 55.20 2rmx s ARG 61 Cb -0.31 -2.59 -0.02 0.00 0.06 0.00 0.00 34.95 32.08 2rmx s ARG 61 CO 0.56 -0.14 -0.10 0.08 -2.50 0.00 0.00 175.30 173.20 2rmx s VAL 62 N -1.61 3.40 -0.34 7.11 1.01 -1.26 -0.94 120.40 127.77 2rmx s VAL 62 Ca 0.57 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2rmx s VAL 62 Cb -0.23 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.80 2rmx s VAL 62 CO 0.29 0.56 0.10 -0.89 0.00 0.00 0.00 175.10 175.16 2rmx s THR 63 N -0.32 3.52 -0.26 3.92 2.01 0.35 -4.95 115.64 119.91 2rmx s THR 63 Ca 0.04 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 60.52 2rmx s THR 63 Cb -0.13 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2rmx s THR 63 CO 0.02 -0.24 0.53 -1.00 -0.69 0.00 0.00 174.62 173.24 2rmx s HIS 64 N 1.33 3.26 -0.12 4.92 3.76 -1.26 -2.29 115.29 124.89 2rmx s HIS 64 Ca -0.01 0.64 0.03 0.00 -0.15 0.00 0.00 55.06 55.57 2rmx s HIS 64 Cb -0.20 -2.75 -0.00 0.00 1.11 0.00 0.00 32.58 30.73 2rmx s HIS 64 CO 0.01 -0.30 -0.20 0.42 -0.85 0.00 0.00 174.74 173.81 2rmx s ILE 65 N 2.35 2.35 -0.59 0.60 1.01 -0.69 -4.98 121.20 121.24 2rmx s ILE 65 Ca 0.22 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 2rmx s ILE 65 Cb -0.16 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.43 2rmx s ILE 65 CO 0.09 0.55 1.01 -0.54 0.00 0.00 0.00 174.94 176.04 2rmx s LYS 66 N 0.44 3.29 -0.34 2.79 1.02 -1.26 -0.25 119.74 125.42 2rmx s LYS 66 Ca -0.15 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 2rmx s LYS 66 Cb -0.17 -4.10 0.02 0.00 -0.52 0.00 0.00 37.83 33.06 2rmx s LYS 66 CO 0.06 -1.64 1.14 0.08 -0.92 0.00 0.00 175.35 174.07 2rmx s VAL 67 N 4.25 4.37 0.30 3.17 1.01 0.35 -4.78 120.40 129.08 2rmx s VAL 67 Ca 0.30 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 2rmx s VAL 67 Cb -0.12 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 2rmx s VAL 67 CO 0.18 -0.57 0.71 -0.04 0.00 0.00 0.00 175.10 175.38 2rmx s MET 68 N 3.91 3.99 -0.22 2.72 -1.94 -0.89 -2.39 119.30 124.48 2rmx s MET 68 Ca 0.48 0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 55.05 2rmx s MET 68 Cb -0.12 -2.49 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 2rmx s MET 68 CO 0.20 0.19 -0.03 0.00 -0.01 0.00 0.00 175.02 175.37 2rmx s GLU 70 N 1.48 3.18 -1.01 0.00 2.56 0.12 -4.72 118.70 120.31 2rmx s GLU 70 Ca 0.06 -2.92 -0.02 0.00 0.00 0.00 0.00 54.97 52.08 2rmx s GLU 70 Cb -0.14 -4.00 -0.03 0.00 2.00 0.00 0.00 34.13 31.96 2rmx s GLU 70 CO -0.03 -1.24 0.86 0.41 -0.56 0.00 0.00 175.26 174.70 2rmx n GLY 71 N 2.96 -0.54 1.60 -1.50 0.00 -1.26 -2.85 105.19 103.60 2rmx n GLY 71 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.18 2.46 3.89 -0.02 0.00 -1.26 -5.01 105.19 104.08 2rmx n GLY 72 Ca -0.18 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 2.52 -0.02 1.61 0.52 -1.13 -4.79 118.95 117.66 2rmx s ARG 73 Ca 0.00 0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2rmx s ARG 73 Cb 0.00 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.44 2rmx s ARG 73 CO 0.00 -1.23 -0.24 0.71 0.02 0.00 0.00 175.30 174.56 2rmx s TYR 74 N -3.42 2.14 0.02 -0.53 2.02 -0.41 0.16 117.35 117.33 2rmx s TYR 74 Ca 0.59 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 2rmx s TYR 74 Cb -0.11 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2rmx s TYR 74 CO 0.50 -0.04 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.34 2rmx s THR 75 N -0.55 0.09 -0.68 -0.71 -1.32 -0.06 -0.70 115.64 111.71 2rmx s THR 75 Ca 0.09 -0.74 -0.02 0.00 -1.21 0.00 0.00 61.69 59.81 2rmx s THR 75 Cb -0.09 -0.21 0.17 0.00 -1.51 0.00 0.00 72.50 70.86 2rmx s THR 75 CO -0.01 -0.40 0.50 0.68 -2.21 0.00 0.00 174.62 173.18 2rmx s VAL 76 N -1.18 3.78 -0.65 5.08 -7.23 -1.26 -2.09 120.40 116.85 2rmx s VAL 76 Ca -0.13 -3.21 0.00 0.00 -1.81 0.00 0.00 61.98 56.83 2rmx s VAL 76 Cb -0.08 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.42 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 3.18 -0.31 3.22 2.32 0.00 -1.26 -4.90 105.19 107.44 2rmx n GLY 77 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.95 0.97 0.50 -0.02 0.00 -1.26 -5.03 107.32 100.53 2rmx s GLY 78 Ca 0.00 -1.45 0.31 0.00 0.00 0.00 0.00 44.72 43.58 2rmx s GLY 78 CO 0.00 -1.53 1.92 1.41 0.00 0.00 0.00 173.10 174.90 2rmx h LEU 79 N 2.84 0.00-10.46 0.66 -0.00 -2.00 -3.45 115.31 102.90 2rmx h LEU 79 Ca -0.36 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 57.10 2rmx h LEU 79 Cb 1.18 0.00 0.19 0.00 -0.00 0.00 0.00 40.66 42.03 2rmx h LEU 79 CO 0.64 0.00 0.18 -1.61 -0.00 0.00 0.00 178.44 177.65 2rmx s GLU 80 N -3.58 -0.88 0.26 1.13 0.41 -1.26 -5.09 118.70 109.69 2rmx s GLU 80 Ca 0.02 -0.11 -0.11 0.00 -0.41 0.00 0.00 54.97 54.36 2rmx s GLU 80 Cb 0.09 -1.64 -0.00 0.00 -1.78 0.00 0.00 34.13 30.79 2rmx s GLU 80 CO 0.54 -3.48 0.47 0.95 -0.49 0.00 0.00 175.26 173.25 2rmx s THR 81 N -3.15 0.00 -0.13 3.63 -4.23 -1.26 -4.62 115.64 105.87 2rmx s THR 81 Ca 0.71 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 2rmx s THR 81 Cb -0.09 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.51 2rmx s THR 81 CO 0.56 0.00 0.31 -0.36 -0.54 0.00 0.00 174.62 174.58 2rmx s PHE 82 N -3.85 -0.45 0.15 3.99 0.40 0.12 -4.92 117.98 113.42 2rmx s PHE 82 Ca 0.24 1.01 -0.15 0.00 -0.60 0.00 0.00 56.93 57.43 2rmx s PHE 82 Cb -0.00 0.11 0.12 0.00 0.51 0.00 0.00 43.02 43.75 2rmx s PHE 82 CO 0.11 -0.30 1.12 -0.25 0.70 0.00 0.00 175.22 176.59 2rmx n ASP 83 N 4.50 -0.55 -2.04 1.36 8.00 -1.26 -1.28 116.55 125.28 2rmx n ASP 83 Ca -0.21 1.27 -0.07 0.00 0.71 0.00 0.00 54.79 56.49 2rmx n ASP 83 Cb 0.53 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2rmx n ASP 83 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2rmx n SER 84 N -5.02 -0.96 -0.14 -2.24 2.88 -1.26 -4.41 113.62 102.46 2rmx n SER 84 Ca 0.06 -1.96 0.16 0.00 -1.33 0.00 0.00 58.87 55.79 2rmx n SER 84 Cb 0.26 1.69 0.52 0.00 -0.75 0.00 0.00 64.21 65.94 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2rmx h LEU 85 N 0.00 0.35 0.66 2.46 -0.00 -1.96 -0.97 115.31 115.86 2rmx h LEU 85 Ca -0.16 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2rmx h LEU 85 Cb 0.66 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2rmx h LEU 85 CO 0.21 0.18 -0.32 0.74 -0.00 0.00 0.00 178.44 179.26 2rmx h THR 86 N 0.37 0.33 -0.58 0.22 2.02 -1.96 0.41 112.91 113.73 2rmx h THR 86 Ca 0.35 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.47 2rmx h THR 86 Cb 0.85 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2rmx h THR 86 CO -0.10 0.01 0.37 -0.78 0.37 0.00 0.00 175.52 175.39 2rmx h ASP 87 N -0.94 0.67 0.40 4.18 3.58 -1.79 0.97 116.42 123.49 2rmx h ASP 87 Ca -0.09 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2rmx h ASP 87 Cb 0.70 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2rmx h ASP 87 CO 0.15 0.50 -0.19 0.25 -2.88 0.00 0.00 179.24 177.06 2rmx h LEU 88 N 0.78 -0.45 0.02 2.28 6.46 -1.12 -1.51 115.31 121.77 2rmx h LEU 88 Ca 0.21 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2rmx h LEU 88 Cb -0.07 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 2rmx h LEU 88 CO -0.04 -0.28 -0.49 0.58 -0.62 0.00 0.00 178.44 177.58 2rmx h VAL 89 N -0.62 0.06 -0.54 1.05 2.07 -0.19 -1.33 116.25 116.74 2rmx h VAL 89 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2rmx h VAL 89 Cb 0.41 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2rmx h VAL 89 CO 0.09 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 176.92 2rmx h GLU 90 N -0.65 -0.23 -0.05 1.57 4.39 -0.89 1.13 114.58 119.84 2rmx h GLU 90 Ca 0.02 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2rmx h GLU 90 Cb 0.71 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2rmx h GLU 90 CO -0.33 -0.16 0.20 1.25 -1.16 0.00 0.00 179.01 178.81 2rmx h HIS 91 N -0.24 0.00 0.00 4.33 2.76 -0.83 0.18 115.15 121.34 2rmx h HIS 91 Ca 0.17 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.21 2rmx h HIS 91 Cb 0.57 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 2rmx h HIS 91 CO -0.69 0.00 -1.62 1.19 -1.30 0.00 0.00 177.93 175.51 2rmx n PHE 92 N -3.17 0.62 0.29 5.26 3.72 0.33 -2.83 117.46 121.68 2rmx n PHE 92 Ca -0.01 0.20 0.18 0.00 -0.05 0.00 0.00 57.45 57.76 2rmx n PHE 92 Cb 0.27 -0.93 0.81 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.35 0.43 116.57 117.84 2rmx h LYS 93 Ca -0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.32 2rmx h LYS 93 Cb 1.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.72 2rmx h LYS 93 CO 0.03 0.03 -2.14 0.36 -0.57 0.00 0.00 179.45 177.15 2rmx n LYS 94 N -3.16 0.49 -0.07 3.15 2.85 -1.13 -4.62 118.16 115.68 2rmx n LYS 94 Ca -0.01 0.12 -0.08 0.00 -1.05 0.00 0.00 58.31 57.29 2rmx n LYS 94 Cb 0.25 -1.38 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 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 -0.08 0.80 0.00 0.58 1.35 -1.51 -3.51 112.91 110.54 2rmx h THR 95 Ca -0.45 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 2rmx h THR 95 Cb 1.67 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2rmx h THR 95 CO -0.09 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 2rmx n GLY 96 N 1.66 2.39 3.34 5.82 0.00 0.15 -5.04 105.19 113.51 2rmx n GLY 96 Ca -0.08 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.74 2.67 -0.15 -0.61 1.01 -0.92 -4.90 121.20 115.56 2rmx s ILE 97 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2rmx s ILE 97 Cb 0.00 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2rmx s ILE 97 CO 0.00 0.55 0.04 -0.70 0.00 0.00 0.00 174.94 174.83 2rmx s GLU 98 N 0.02 3.62 0.03 2.79 2.12 -1.26 -0.30 118.70 125.72 2rmx s GLU 98 Ca -0.06 -0.36 -0.10 0.00 0.36 0.00 0.00 54.97 54.80 2rmx s GLU 98 Cb -0.15 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 2rmx s GLU 98 CO 0.05 0.44 0.35 -1.21 -0.54 0.00 0.00 175.26 174.35 2rmx s GLU 99 N -0.11 3.74 0.07 4.30 2.02 0.45 -4.99 118.70 124.18 2rmx s GLU 99 Ca 0.06 0.17 -0.13 0.00 0.02 0.00 0.00 54.97 55.09 2rmx s GLU 99 Cb -0.12 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 2rmx s GLU 99 CO 0.01 0.63 1.13 0.00 0.02 0.00 0.00 175.26 177.05 2rmx n ALA 100 N 1.29 -0.27 -0.42 5.21 0.00 -1.26 0.13 120.51 125.19 2rmx n ALA 100 Ca -0.11 0.35 0.36 0.00 0.00 0.00 0.00 53.44 54.04 2rmx n ALA 100 Cb 0.53 0.18 0.63 0.00 0.00 0.00 0.00 19.45 20.79 2rmx n ALA 100 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2rmx h SER 101 N 0.00 0.27 0.00 0.00 4.64 -2.06 -3.44 113.55 112.97 2rmx h SER 101 Ca 0.07 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2rmx h SER 101 Cb 0.17 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2rmx h SER 101 CO -0.39 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 175.93 2rmx n GLY 102 N -1.45 2.16 3.18 -0.77 0.00 0.34 -5.13 105.19 103.52 2rmx n GLY 102 Ca 0.38 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.84 -3.96 4.61 0.00 -1.25 -4.39 120.51 111.69 2rmx n ALA 103 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 2rmx n ALA 103 Cb 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.00 1.87 -0.06 0.00 0.08 -1.26 -0.41 117.98 116.20 2rmx s PHE 104 Ca 0.51 -1.01 -0.17 0.00 0.12 0.00 0.00 56.93 56.39 2rmx s PHE 104 Cb -0.34 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2rmx s PHE 104 CO 0.72 -0.60 0.45 0.08 -0.10 0.00 0.00 175.22 175.78 2rmx s VAL 105 N 1.56 5.09 -0.04 -0.44 1.01 0.59 -4.94 120.40 123.22 2rmx s VAL 105 Ca 0.04 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.01 2rmx s VAL 105 Cb -0.13 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2rmx s VAL 105 CO -0.09 0.44 -0.23 -0.31 0.00 0.00 0.00 175.10 174.91 2rmx s TYR 106 N -0.18 2.17 -0.41 5.22 2.02 -1.26 -2.17 117.35 122.74 2rmx s TYR 106 Ca 0.25 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.37 2rmx s TYR 106 Cb -0.16 -1.42 0.11 0.00 -0.40 0.00 0.00 41.96 40.09 2rmx s TYR 106 CO 0.12 -0.14 0.20 -0.51 -1.57 0.00 0.00 175.55 173.65 2rmx s LEU 107 N -0.27 5.25 -0.24 -1.29 1.02 -1.26 -4.11 118.68 117.77 2rmx s LEU 107 Ca 0.01 -2.04 -0.09 0.00 0.02 0.00 0.00 54.13 52.03 2rmx s LEU 107 Cb -0.11 -1.82 -0.17 0.00 0.02 0.00 0.00 46.19 44.10 2rmx s LEU 107 CO 0.02 -0.54 -0.11 0.54 0.02 0.00 0.00 176.35 176.28 2rmx n ARG 108 N 4.58 0.63 -3.85 1.70 1.74 -0.93 -4.63 116.66 115.90 2rmx n ARG 108 Ca -0.02 0.28 -0.12 0.00 -0.77 0.00 0.00 57.85 57.22 2rmx n ARG 108 Cb 0.41 -1.58 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.25 0.00 5.56 0.00 -1.18 -5.09 119.66 116.71 2rmx s GLN 109 Ca -0.33 -0.04 0.00 0.00 -0.00 0.00 0.00 55.36 54.98 2rmx s GLN 109 Cb 0.10 0.11 0.00 0.00 0.00 0.00 0.00 33.01 33.22 2rmx s GLN 109 CO 0.58 -0.05 0.00 -0.35 0.00 0.00 0.00 175.29 175.48 2rmx n PRO 110 N 2.47 0.18 -3.57 9.60 -0.04 -1.26 -2.93 135.00 139.45 2rmx n PRO 110 Ca -0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.07 2rmx n PRO 110 Cb 0.58 0.00 -0.15 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 -0.41 0.02 -0.23 0.54 5.04 -0.97 -4.59 117.35 116.75 2rmx s TYR 111 Ca 0.00 -0.13 -0.15 0.00 -2.44 0.00 0.00 57.07 54.35 2rmx s TYR 111 Cb 0.00 -0.57 -0.04 0.00 0.35 0.00 0.00 41.96 41.70 2rmx s TYR 111 CO 0.00 -0.55 0.37 0.71 -1.34 0.00 0.00 175.55 174.74 2rmx s TYR 112 N 2.21 3.32 1.03 4.97 2.02 -1.26 -4.90 117.35 124.74 2rmx s TYR 112 Ca 0.04 0.51 -0.22 0.00 -0.37 0.00 0.00 57.07 57.03 2rmx s TYR 112 Cb -0.16 -2.52 -0.07 0.00 -0.40 0.00 0.00 41.96 38.81 2rmx s TYR 112 CO -0.10 -0.08 -0.75 -1.13 -1.57 0.00 0.00 175.55 171.91 2rmx n SER 113 N 4.76 -3.23 -1.25 2.29 3.41 -1.26 -4.70 113.62 113.64 2rmx n SER 113 Ca -0.09 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2rmx n SER 113 Cb 0.51 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2rmx n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rmx n GLY 114 N 2.84 -1.66 0.25 5.00 0.00 -1.26 -4.99 105.19 105.37 2rmx n GLY 114 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2rmx n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rmx h PRO 115 N 0.00 0.88 -4.55 1.61 0.13 -2.00 -3.46 132.00 124.61 2rmx h PRO 115 Ca 0.00 -0.47 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 2rmx h PRO 115 Cb 0.00 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 30.97 2rmx h PRO 115 CO 0.00 1.11 -0.71 0.45 -0.23 0.00 0.00 178.00 178.62 2rmx s SER 116 N -6.76 0.92 -0.69 1.44 0.15 -1.26 -5.05 113.70 102.44 2rmx s SER 116 Ca -0.11 -0.78 -0.24 0.00 0.70 0.00 0.00 55.95 55.52 2rmx s SER 116 Cb 0.10 0.08 -0.16 0.00 -1.71 0.00 0.00 66.02 64.33 2rmx s SER 116 CO 0.87 -0.35 1.93 -0.24 1.20 0.00 0.00 173.24 176.64 2rmx n SER 117 N 0.71 0.25 -0.38 5.45 2.88 -1.26 -5.24 113.62 116.02 2rmx n SER 117 Ca -0.18 0.17 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2rmx n SER 117 Cb 0.58 -0.67 0.61 0.00 -0.75 0.00 0.00 64.21 63.98 2rmx n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42