#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 0.66 -0.07 1.61 1.04 -1.26 -4.98 113.70 110.71 2rmx s SER 2 Ca 0.00 1.44 -0.20 0.00 0.48 0.00 0.00 55.95 57.67 2rmx s SER 2 Cb 0.00 -2.22 -0.15 0.00 0.10 0.00 0.00 66.02 63.75 2rmx s SER 2 CO 0.00 -4.39 0.76 0.77 0.98 0.00 0.00 173.24 171.36 2rmx h SER 3 N -2.75 -0.15 0.00 7.02 4.64 -2.11 -3.49 113.55 116.71 2rmx h SER 3 Ca -0.62 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.32 2rmx h SER 3 Cb 1.34 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2rmx h SER 3 CO 0.50 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 2rmx n GLY 4 N 0.84 1.54 3.74 -0.77 0.00 -1.26 -5.15 105.19 104.13 2rmx n GLY 4 Ca -0.07 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 7.52 -0.10 1.61 0.01 -1.26 -4.97 113.70 116.52 2rmx s SER 5 Ca 0.00 1.95 -0.07 0.00 1.31 0.00 0.00 55.95 59.13 2rmx s SER 5 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2rmx s SER 5 CO 0.00 0.02 -0.17 -1.20 0.41 0.00 0.00 173.24 172.30 2rmx n SER 6 N 1.98 1.11 0.00 2.44 7.64 -1.26 -5.14 113.62 120.39 2rmx n SER 6 Ca -0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2rmx n SER 6 Cb 0.47 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 2.30 0.11 0.86 0.23 0.00 -1.26 -4.66 105.19 102.76 2rmx n GLY 7 Ca -0.19 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 43.99 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 0.69 -3.55 1.61 4.27 -1.26 -4.81 117.44 114.39 2rmx n TRP 8 Ca 0.00 -1.38 -0.41 0.00 -3.89 0.00 0.00 57.50 51.82 2rmx n TRP 8 Cb 0.00 -0.37 -0.08 0.00 -1.36 0.00 0.00 31.31 29.50 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 -3.13 3.44 -0.03 -2.67 5.04 -1.26 -0.70 117.35 118.04 2rmx s TYR 9 Ca 0.41 -1.93 -0.15 0.00 -2.44 0.00 0.00 57.07 52.97 2rmx s TYR 9 Cb 0.37 -3.50 -0.08 0.00 0.35 0.00 0.00 41.96 39.10 2rmx s TYR 9 CO 0.00 -0.99 0.63 0.45 -1.34 0.00 0.00 175.55 174.30 2rmx h HIS 10 N 8.35 -0.49 0.00 4.97 3.86 -1.84 -3.50 115.15 126.50 2rmx h HIS 10 Ca -0.19 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2rmx h HIS 10 Cb 1.07 0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2rmx h HIS 10 CO 0.66 -0.31 0.00 0.41 0.86 0.00 0.00 177.93 179.55 2rmx n GLY 11 N 0.39 0.76 3.66 2.45 0.00 -1.26 -5.03 105.19 106.16 2rmx n GLY 11 Ca -0.07 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 2.96 -0.22 1.61 -3.43 -1.26 -1.16 115.29 113.79 2rmx s HIS 12 Ca 0.00 1.11 -0.30 0.00 -0.80 0.00 0.00 55.06 55.07 2rmx s HIS 12 Cb 0.00 -3.45 0.16 0.00 -1.43 0.00 0.00 32.58 27.85 2rmx s HIS 12 CO 0.00 -1.43 1.17 1.41 -2.00 0.00 0.00 174.74 173.89 2rmx s MET 13 N 3.44 0.34 0.24 -0.38 0.00 -1.26 -4.98 119.30 116.71 2rmx s MET 13 Ca 0.52 0.09 0.08 0.00 0.00 0.00 0.00 55.69 56.38 2rmx s MET 13 Cb -0.20 0.16 -0.04 0.00 0.00 0.00 0.00 34.83 34.75 2rmx s MET 13 CO 0.13 -0.11 0.12 -1.54 0.00 0.00 0.00 175.02 173.62 2rmx s SER 14 N -1.04 5.20 0.11 1.11 1.04 -1.26 -4.63 113.70 114.23 2rmx s SER 14 Ca 0.03 -0.36 -0.32 0.00 0.48 0.00 0.00 55.95 55.78 2rmx s SER 14 Cb -0.01 -1.22 -0.13 0.00 0.10 0.00 0.00 66.02 64.76 2rmx s SER 14 CO -0.03 -0.01 1.52 1.23 0.98 0.00 0.00 173.24 176.94 2rmx h GLY 15 N 1.77 -1.13 -1.03 7.32 0.00 -2.00 -0.43 103.07 107.58 2rmx h GLY 15 Ca -0.47 0.68 0.42 0.00 0.00 0.00 0.00 47.33 47.95 2rmx h GLY 15 CO 0.61 -0.23 0.81 -1.33 0.00 0.00 0.00 176.54 176.40 2rmx h GLY 16 N -0.59 1.40 0.26 4.60 0.00 -2.00 -1.30 103.07 105.44 2rmx h GLY 16 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2rmx h GLY 16 CO -0.39 -0.42 -0.13 -1.61 0.00 0.00 0.00 176.54 174.00 2rmx h GLN 17 N 0.11 -0.34 -0.91 4.80 5.75 -1.51 -3.18 115.11 119.82 2rmx h GLN 17 Ca 0.81 0.02 0.29 0.00 -0.15 0.00 0.00 58.65 59.62 2rmx h GLN 17 Cb 2.46 0.08 -0.17 0.00 1.07 0.00 0.00 27.48 30.92 2rmx h GLN 17 CO -0.45 -0.23 0.16 0.00 -2.65 0.00 0.00 178.83 175.66 2rmx n ALA 18 N -2.44 0.60 -0.17 3.38 0.00 -0.56 0.14 120.51 121.46 2rmx n ALA 18 Ca -0.04 0.97 -0.03 0.00 0.00 0.00 0.00 53.44 54.33 2rmx n ALA 18 Cb 0.14 -0.78 0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 0.41 0.08 0.00 5.08 -1.43 0.21 114.58 118.93 2rmx h GLU 19 Ca 0.62 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2rmx h GLU 19 Cb 1.41 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2rmx h GLU 19 CO -0.81 0.27 -0.04 1.15 -1.00 0.00 0.00 179.01 178.57 2rmx h THR 20 N 0.42 1.02 -0.35 1.13 2.02 0.12 0.24 112.91 117.50 2rmx h THR 20 Ca 0.25 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2rmx h THR 20 Cb 0.23 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2rmx h THR 20 CO -0.22 0.09 0.17 -0.07 0.37 0.00 0.00 175.52 175.86 2rmx h LEU 21 N -0.27 0.26 0.64 2.58 4.07 -0.99 0.21 115.31 121.81 2rmx h LEU 21 Ca -0.01 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2rmx h LEU 21 Cb 0.23 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.95 2rmx h LEU 21 CO 0.02 0.19 -0.31 -0.07 -1.08 0.00 0.00 178.44 177.19 2rmx h LEU 22 N 0.36 -0.73 -1.40 1.67 3.38 -0.52 -2.33 115.31 115.75 2rmx h LEU 22 Ca 0.15 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.27 2rmx h LEU 22 Cb 0.06 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2rmx h LEU 22 CO -0.10 -0.38 0.57 1.56 0.09 0.00 0.00 178.44 180.17 2rmx h GLN 23 N -1.09 0.54 -0.15 1.13 4.20 -0.45 0.17 115.11 119.45 2rmx h GLN 23 Ca -0.09 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 2rmx h GLN 23 Cb 0.70 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2rmx h GLN 23 CO 0.14 0.35 -0.21 0.00 -0.67 0.00 0.00 178.83 178.45 2rmx h ALA 24 N 1.61 1.38 -0.48 3.87 0.00 -0.45 -2.85 119.26 122.34 2rmx h ALA 24 Ca 0.45 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2rmx h ALA 24 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2rmx h ALA 24 CO -0.19 0.43 -0.02 -0.22 0.00 0.00 0.00 179.25 179.24 2rmx h LYS 25 N 0.23 0.86 0.00 0.00 1.63 -0.10 -3.46 116.57 115.73 2rmx h LYS 25 Ca 0.04 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2rmx h LYS 25 Cb 0.50 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2rmx h LYS 25 CO 0.03 0.92 0.00 0.41 -3.45 0.00 0.00 179.45 177.36 2rmx n GLY 26 N -0.34 0.57 3.61 5.01 0.00 -1.07 -4.97 105.19 108.00 2rmx n GLY 26 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.43 4.01 0.36 1.61 0.41 -1.26 -5.03 118.70 118.37 2rmx s GLU 27 Ca 0.00 0.42 -0.27 0.00 -0.41 0.00 0.00 54.97 54.71 2rmx s GLU 27 Cb 0.00 -3.68 -0.09 0.00 -1.78 0.00 0.00 34.13 28.57 2rmx s GLU 27 CO 0.00 -0.48 1.21 -1.25 -0.49 0.00 0.00 175.26 174.25 2rmx s PRO 28 N 2.54 4.24 -0.63 0.39 0.04 -1.26 -3.17 135.00 137.15 2rmx s PRO 28 Ca 0.25 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2rmx s PRO 28 Cb -0.15 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2rmx s PRO 28 CO 0.10 -0.20 0.00 0.91 0.04 0.00 0.00 177.00 177.85 2rmx n TRP 29 N 0.49 -0.21 -2.90 0.56 5.03 0.73 -4.81 117.44 116.33 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 -1.79 -0.04 0.00 -1.03 0.00 0.00 31.31 28.89 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 -2.31 4.40 0.23 -0.99 2.01 -1.19 -2.24 115.64 115.55 2rmx s THR 30 Ca 0.00 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 2rmx s THR 30 Cb 0.00 -4.65 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 2rmx s THR 30 CO 0.00 -1.39 0.48 0.72 -0.69 0.00 0.00 174.62 173.75 2rmx s PHE 31 N 3.85 3.47 -0.23 4.92 -0.71 -1.12 -1.76 117.98 126.39 2rmx s PHE 31 Ca 0.21 0.62 -0.17 0.00 -1.04 0.00 0.00 56.93 56.55 2rmx s PHE 31 Cb -0.18 -2.07 0.06 0.00 -1.21 0.00 0.00 43.02 39.62 2rmx s PHE 31 CO 0.10 0.29 0.57 -0.48 -1.34 0.00 0.00 175.22 174.37 2rmx s LEU 32 N -3.14 -0.40 0.04 -1.99 0.05 -0.04 -2.11 118.68 111.09 2rmx s LEU 32 Ca 0.43 1.21 -0.14 0.00 0.05 0.00 0.00 54.13 55.68 2rmx s LEU 32 Cb -0.11 1.96 -0.06 0.00 -2.05 0.00 0.00 46.19 45.93 2rmx s LEU 32 CO 0.27 -0.21 0.44 -0.69 -0.55 0.00 0.00 176.35 175.60 2rmx s VAL 33 N 0.93 4.99 0.13 1.48 1.01 0.12 -1.90 120.40 127.17 2rmx s VAL 33 Ca -0.05 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 2rmx s VAL 33 Cb -0.05 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2rmx s VAL 33 CO -0.08 0.48 0.32 0.00 0.00 0.00 0.00 175.10 175.82 2rmx s ARG 34 N -1.34 1.06 -0.03 2.72 1.70 -1.13 -2.44 118.95 119.50 2rmx s ARG 34 Ca 0.28 -0.94 -0.14 0.00 -0.47 0.00 0.00 55.73 54.46 2rmx s ARG 34 Cb -0.16 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2rmx s ARG 34 CO 0.15 -0.39 0.38 -1.21 -1.08 0.00 0.00 175.30 173.15 2rmx s GLU 35 N -3.88 3.90 0.51 3.89 2.02 -0.31 -2.85 118.70 121.99 2rmx s GLU 35 Ca 0.08 0.34 -0.17 0.00 0.02 0.00 0.00 54.97 55.24 2rmx s GLU 35 Cb 0.03 -3.24 -0.08 0.00 0.10 0.00 0.00 34.13 30.94 2rmx s GLU 35 CO -0.07 0.65 0.98 0.45 0.02 0.00 0.00 175.26 177.29 2rmx s SER 36 N -0.91 6.65 -0.22 -0.19 0.15 -1.25 -4.21 113.70 113.72 2rmx s SER 36 Ca 0.22 1.59 -0.03 0.00 0.70 0.00 0.00 55.95 58.43 2rmx s SER 36 Cb -0.16 -2.51 -0.19 0.00 -1.71 0.00 0.00 66.02 61.45 2rmx s SER 36 CO 0.12 -0.57 -0.06 0.18 1.20 0.00 0.00 173.24 174.10 2rmx n LEU 37 N -1.49 2.71 0.31 3.45 4.77 -1.26 -4.55 117.00 120.96 2rmx n LEU 37 Ca 0.07 0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 2rmx n LEU 37 Cb 0.54 -0.96 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 2rmx n LEU 37 CO 0.45 0.84 0.65 0.28 -1.33 0.00 0.00 177.39 178.28 2rmx h SER 38 N -0.15 -0.65 -3.31 -1.43 0.02 -1.99 -3.38 113.55 102.67 2rmx h SER 38 Ca -0.54 -0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 59.67 2rmx h SER 38 Cb 1.87 0.17 -0.23 0.00 0.14 0.00 0.00 62.40 64.35 2rmx h SER 38 CO -0.09 -0.43 -0.33 -1.10 -1.14 0.00 0.00 176.83 173.74 2rmx s GLN 39 N -5.84 2.97 0.00 3.45 -0.21 -1.26 -4.92 119.66 113.85 2rmx s GLN 39 Ca -0.17 -1.36 0.10 0.00 0.02 0.00 0.00 55.36 53.95 2rmx s GLN 39 Cb 0.03 -4.12 0.60 0.00 1.00 0.00 0.00 33.01 30.52 2rmx s GLN 39 CO 0.61 -1.03 1.04 -0.35 -2.12 0.00 0.00 175.29 173.43 2rmx n PRO 40 N 5.19 0.49 -1.34 2.91 -0.04 -1.26 -2.55 135.00 138.41 2rmx n PRO 40 Ca -0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.37 2rmx n PRO 40 Cb 0.44 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 2rmx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rmx n GLY 41 N -0.02 2.52 3.14 0.55 0.00 -1.26 -5.08 105.19 105.05 2rmx n GLY 41 Ca 0.08 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.56 0.34 0.43 1.61 1.11 -1.06 -4.71 116.67 111.83 2rmx s ASP 42 Ca 0.35 -0.92 0.06 0.00 0.18 0.00 0.00 52.55 52.23 2rmx s ASP 42 Cb 0.38 0.27 -0.06 0.00 1.07 0.00 0.00 42.92 44.58 2rmx s ASP 42 CO -0.12 -0.67 0.06 -0.36 1.18 0.00 0.00 175.17 175.26 2rmx s PHE 43 N -3.92 2.42 -0.06 4.23 0.40 -0.59 -3.77 117.98 116.69 2rmx s PHE 43 Ca 0.09 -0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 55.65 2rmx s PHE 43 Cb 0.07 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.81 2rmx s PHE 43 CO -0.08 0.33 0.19 0.08 0.70 0.00 0.00 175.22 176.43 2rmx s VAL 44 N -2.71 0.01 -0.18 -0.44 1.01 -1.13 0.22 120.40 117.18 2rmx s VAL 44 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 2rmx s VAL 44 Cb 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.14 2rmx s VAL 44 CO 0.17 -0.07 -0.14 -0.22 0.00 0.00 0.00 175.10 174.84 2rmx s LEU 45 N -0.16 2.44 0.06 3.92 2.96 -0.36 -2.82 118.68 124.73 2rmx s LEU 45 Ca -0.03 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2rmx s LEU 45 Cb -0.02 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2rmx s LEU 45 CO 0.01 0.03 0.02 -0.55 -1.32 0.00 0.00 176.35 174.54 2rmx s SER 46 N 1.16 5.21 -0.18 3.68 0.15 -0.80 -1.70 113.70 121.22 2rmx s SER 46 Ca 0.01 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 2rmx s SER 46 Cb -0.14 -1.32 0.06 0.00 -1.71 0.00 0.00 66.02 62.90 2rmx s SER 46 CO -0.06 0.20 0.44 -0.69 1.20 0.00 0.00 173.24 174.34 2rmx s VAL 47 N -1.28 -0.02 -0.72 4.45 1.01 -0.97 -0.86 120.40 122.02 2rmx s VAL 47 Ca 0.25 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 2rmx s VAL 47 Cb -0.12 -0.64 0.10 0.00 0.00 0.00 0.00 36.38 35.73 2rmx s VAL 47 CO 0.17 0.02 0.91 -0.22 0.00 0.00 0.00 175.10 175.99 2rmx s LEU 48 N 1.04 5.00 0.70 3.92 2.96 -0.72 -0.10 118.68 131.48 2rmx s LEU 48 Ca -0.07 -1.50 -0.16 0.00 -0.22 0.00 0.00 54.13 52.19 2rmx s LEU 48 Cb -0.06 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2rmx s LEU 48 CO -0.09 -1.20 1.05 -1.54 -1.32 0.00 0.00 176.35 173.25 2rmx n SER 49 N 6.78 0.87 0.00 3.68 3.41 0.01 -0.19 113.62 128.17 2rmx n SER 49 Ca 0.02 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2rmx n SER 49 Cb 0.45 -1.44 0.73 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.72 0.00 -4.62 4.04 2.03 -1.26 -4.10 116.55 110.93 2rmx n ASP 50 Ca 0.14 -0.98 -0.39 0.00 0.52 0.00 0.00 54.79 54.08 2rmx n ASP 50 Cb 0.49 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.80 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 4.03 0.49 -0.67 -0.21 -1.26 -5.01 119.66 115.03 2rmx s GLN 51 Ca 0.37 -0.01 -0.22 0.00 0.02 0.00 0.00 55.36 55.52 2rmx s GLN 51 Cb 0.17 -3.63 -0.07 0.00 1.00 0.00 0.00 33.01 30.48 2rmx s GLN 51 CO 0.29 -0.21 1.15 -1.25 -2.12 0.00 0.00 175.29 173.15 2rmx s PRO 52 N 1.85 3.62 0.20 2.91 0.04 -1.26 -2.07 135.00 140.29 2rmx s PRO 52 Ca 0.14 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 2rmx s PRO 52 Cb -0.16 -2.27 0.26 0.00 0.04 0.00 0.00 34.50 32.37 2rmx s PRO 52 CO 0.09 -0.66 1.76 0.87 0.04 0.00 0.00 177.00 179.11 2rmx h LYS 53 N 1.76 0.45 0.00 4.56 1.57 -1.80 -3.38 116.57 119.73 2rmx h LYS 53 Ca -0.50 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2rmx h LYS 53 Cb 1.25 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2rmx h LYS 53 CO 0.59 0.30 -1.04 0.00 -0.57 0.00 0.00 179.45 178.72 2rmx n ALA 54 N -2.43 2.85 0.00 3.86 0.00 -1.26 -5.07 120.51 118.47 2rmx n ALA 54 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2rmx n ALA 54 Cb 0.24 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 3.00 -0.81 3.57 0.00 0.00 -1.26 -5.03 105.19 104.66 2rmx n GLY 55 Ca -0.02 -0.27 -0.27 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 -0.32 2.53 0.00 1.61 0.04 -1.26 -2.52 135.00 135.09 2rmx s PRO 56 Ca 0.00 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.41 2rmx s PRO 56 Cb 0.00 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2rmx s PRO 56 CO 0.00 -3.61 0.00 0.41 0.04 0.00 0.00 177.00 173.84 2rmx n GLY 57 N 6.45 0.86 3.85 0.56 0.00 -1.26 -5.14 105.19 110.51 2rmx n GLY 57 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 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 6.65 -0.19 1.61 1.04 -1.05 -5.00 113.70 116.76 2rmx s SER 58 Ca 0.00 1.42 -0.29 0.00 0.48 0.00 0.00 55.95 57.55 2rmx s SER 58 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2rmx s SER 58 CO 0.00 -0.46 1.59 -2.16 0.98 0.00 0.00 173.24 173.19 2rmx s PRO 59 N -3.76 3.90 0.28 4.02 0.04 -1.26 -4.54 135.00 133.68 2rmx s PRO 59 Ca 0.56 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.20 2rmx s PRO 59 Cb -0.10 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.33 2rmx s PRO 59 CO 0.27 -1.16 0.06 1.28 0.04 0.00 0.00 177.00 177.49 2rmx n LEU 60 N 8.05 -2.00 -4.78 -3.56 4.77 -1.26 -3.88 117.00 114.33 2rmx n LEU 60 Ca 0.18 0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 56.37 2rmx n LEU 60 Cb 0.45 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2rmx n LEU 60 CO 0.63 -2.93 0.76 -0.60 -1.33 0.00 0.00 177.39 173.93 2rmx s ARG 61 N -0.70 3.94 -0.24 3.23 3.52 -0.88 -4.75 118.95 123.06 2rmx s ARG 61 Ca 0.41 1.55 -0.04 0.00 -0.13 0.00 0.00 55.73 57.53 2rmx s ARG 61 Cb -0.45 -2.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.57 2rmx s ARG 61 CO 0.44 -0.35 -0.03 0.08 -0.81 0.00 0.00 175.30 174.63 2rmx s VAL 62 N -1.70 3.29 -0.45 7.11 1.01 -1.26 -0.81 120.40 127.59 2rmx s VAL 62 Ca 0.62 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 2rmx s VAL 62 Cb -0.23 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2rmx s VAL 62 CO 0.28 0.30 0.77 -0.89 0.00 0.00 0.00 175.10 175.56 2rmx s THR 63 N 1.43 4.67 -0.42 3.92 2.01 0.86 -4.91 115.64 123.20 2rmx s THR 63 Ca 0.04 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.24 2rmx s THR 63 Cb -0.15 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 68.07 2rmx s THR 63 CO -0.03 -0.71 0.34 -1.00 -0.69 0.00 0.00 174.62 172.53 2rmx s HIS 64 N 3.23 3.22 -0.16 4.92 3.76 -1.26 -2.29 115.29 126.71 2rmx s HIS 64 Ca 0.29 -0.59 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 2rmx s HIS 64 Cb -0.12 -2.74 -0.02 0.00 1.11 0.00 0.00 32.58 30.81 2rmx s HIS 64 CO 0.22 -0.65 -0.07 0.42 -0.85 0.00 0.00 174.74 173.81 2rmx s ILE 65 N 1.77 3.51 0.18 0.60 1.01 -0.69 -5.00 121.20 122.58 2rmx s ILE 65 Ca 0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 2rmx s ILE 65 Cb -0.19 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 2rmx s ILE 65 CO 0.10 0.49 1.21 -0.54 0.00 0.00 0.00 174.94 176.20 2rmx s LYS 66 N 0.55 4.48 -0.58 2.79 1.02 -1.26 -1.22 119.74 125.52 2rmx s LYS 66 Ca -0.05 1.88 -0.06 0.00 0.02 0.00 0.00 55.97 57.77 2rmx s LYS 66 Cb -0.15 -3.25 0.15 0.00 -0.52 0.00 0.00 37.83 34.07 2rmx s LYS 66 CO 0.03 -0.12 0.42 0.08 -0.92 0.00 0.00 175.35 174.84 2rmx s VAL 67 N 0.06 3.97 0.84 3.17 1.01 0.13 -4.62 120.40 124.95 2rmx s VAL 67 Ca 0.54 -2.48 -0.12 0.00 0.00 0.00 0.00 61.98 59.92 2rmx s VAL 67 Cb -0.33 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.55 2rmx s VAL 67 CO 0.36 -0.84 1.10 -0.04 0.00 0.00 0.00 175.10 175.68 2rmx s MET 68 N 0.50 1.72 -0.11 2.72 -1.94 -0.74 -1.54 119.30 119.91 2rmx s MET 68 Ca 0.13 0.67 0.03 0.00 -1.71 0.00 0.00 55.69 54.81 2rmx s MET 68 Cb -0.21 -1.87 0.01 0.00 2.01 0.00 0.00 34.83 34.77 2rmx s MET 68 CO -0.04 -1.88 -0.19 0.00 -0.01 0.00 0.00 175.02 172.90 2rmx s GLU 70 N 0.77 1.55 -1.75 0.00 0.41 -0.23 -4.76 118.70 114.68 2rmx s GLU 70 Ca -0.10 -0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 2rmx s GLU 70 Cb -0.16 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 2rmx s GLU 70 CO 0.01 -0.32 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 2rmx n GLY 71 N 4.91 0.05 1.18 -1.39 0.00 -1.26 -1.38 105.19 107.30 2rmx n GLY 71 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.93 3.25 3.34 -0.02 0.00 -1.26 -5.04 105.19 104.54 2rmx n GLY 72 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 -0.32 -4.91 1.61 3.00 -0.48 -4.90 116.66 108.66 2rmx n ARG 73 Ca 0.00 -2.19 -0.30 0.00 -0.01 0.00 0.00 57.85 55.36 2rmx n ARG 73 Cb 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 32.46 31.57 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 -2.88 2.25 0.21 -1.55 2.02 -0.75 -1.07 117.35 115.58 2rmx s TYR 74 Ca 0.59 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.84 2rmx s TYR 74 Cb -0.03 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2rmx s TYR 74 CO 0.40 0.11 0.21 -0.08 -1.57 0.00 0.00 175.55 174.62 2rmx s THR 75 N -0.78 0.00 -0.41 -0.71 -1.32 -0.09 -0.77 115.64 111.57 2rmx s THR 75 Ca 0.11 -1.85 0.01 0.00 -1.21 0.00 0.00 61.69 58.76 2rmx s THR 75 Cb -0.10 -2.40 0.14 0.00 -1.51 0.00 0.00 72.50 68.63 2rmx s THR 75 CO 0.02 -0.02 0.24 0.68 -2.21 0.00 0.00 174.62 173.33 2rmx s VAL 76 N -4.12 0.82 -1.49 5.08 -7.23 -1.26 -1.80 120.40 110.40 2rmx s VAL 76 Ca 0.34 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2rmx s VAL 76 Cb 0.05 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2rmx s VAL 76 CO 0.11 -0.97 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 2rmx n GLY 77 N 3.66 1.32 3.30 2.32 0.00 -1.26 -4.91 105.19 109.62 2rmx n GLY 77 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.19 1.45 0.28 -0.02 0.00 -1.26 -5.03 107.32 100.55 2rmx s GLY 78 Ca 0.00 -1.71 0.26 0.00 0.00 0.00 0.00 44.72 43.26 2rmx s GLY 78 CO 0.00 -1.61 1.75 1.41 0.00 0.00 0.00 173.10 174.65 2rmx h LEU 79 N 2.54 0.00-10.30 0.66 3.38 -2.01 -3.46 115.31 106.12 2rmx h LEU 79 Ca -0.38 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.14 2rmx h LEU 79 Cb 1.22 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.14 2rmx h LEU 79 CO 0.64 0.00 0.16 -1.61 0.09 0.00 0.00 178.44 177.72 2rmx s GLU 80 N -3.22 0.24 0.09 1.13 2.02 -1.26 -5.08 118.70 112.63 2rmx s GLU 80 Ca 0.08 0.66 -0.15 0.00 0.02 0.00 0.00 54.97 55.58 2rmx s GLU 80 Cb 0.10 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.65 2rmx s GLU 80 CO 0.55 -2.89 0.34 0.95 0.02 0.00 0.00 175.26 174.23 2rmx s THR 81 N -2.84 0.08 -0.03 3.63 -4.23 -1.26 -4.49 115.64 106.50 2rmx s THR 81 Ca 0.66 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 2rmx s THR 81 Cb -0.20 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.53 2rmx s THR 81 CO 0.59 -0.38 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.89 2rmx s PHE 82 N -3.38 0.64 0.24 3.99 0.40 0.05 -4.89 117.98 115.03 2rmx s PHE 82 Ca 0.01 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.27 2rmx s PHE 82 Cb 0.02 -0.56 0.75 0.00 0.51 0.00 0.00 43.02 43.73 2rmx s PHE 82 CO -0.09 -0.14 1.12 -0.25 0.70 0.00 0.00 175.22 176.56 2rmx n ASP 83 N 3.84 0.08 -3.38 1.36 9.92 -1.26 -1.81 116.55 125.30 2rmx n ASP 83 Ca -0.24 1.20 -0.04 0.00 -0.53 0.00 0.00 54.79 55.18 2rmx n ASP 83 Cb 0.52 -0.51 0.01 0.00 -0.64 0.00 0.00 41.12 40.50 2rmx n ASP 83 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2rmx s SER 84 N -4.84 -0.03 0.56 -2.24 0.01 -1.26 -4.67 113.70 101.22 2rmx s SER 84 Ca -0.08 -0.69 0.40 0.00 1.31 0.00 0.00 55.95 56.89 2rmx s SER 84 Cb 0.23 0.55 1.57 0.00 0.21 0.00 0.00 66.02 68.58 2rmx s SER 84 CO 0.56 -1.08 1.70 -0.07 0.41 0.00 0.00 173.24 174.75 2rmx h LEU 85 N 2.00 0.00 0.47 2.44 -0.00 -1.97 0.83 115.31 119.08 2rmx h LEU 85 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.58 2rmx h LEU 85 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2rmx h LEU 85 CO 0.34 0.00 -0.22 0.74 -0.00 0.00 0.00 178.44 179.30 2rmx h THR 86 N 0.00 0.37 -0.02 0.22 2.02 -1.94 0.21 112.91 113.77 2rmx h THR 86 Ca 0.67 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 67.36 2rmx h THR 86 Cb 2.76 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2rmx h THR 86 CO -0.01 0.06 0.01 0.44 0.37 0.00 0.00 175.52 176.40 2rmx h ASP 87 N -0.98 0.00 0.08 4.18 5.19 -1.23 0.51 116.42 124.15 2rmx h ASP 87 Ca -0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2rmx h ASP 87 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2rmx h ASP 87 CO 0.11 0.00 -0.04 0.25 -3.12 0.00 0.00 179.24 176.44 2rmx h LEU 88 N 0.00 -0.09 0.19 1.55 6.46 -1.15 -3.03 115.31 119.24 2rmx h LEU 88 Ca 0.01 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2rmx h LEU 88 Cb 0.04 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 2rmx h LEU 88 CO -0.00 0.16 -0.44 0.58 -0.62 0.00 0.00 178.44 178.12 2rmx h VAL 89 N -0.54 0.13 -0.55 1.05 2.07 -0.55 -1.98 116.25 115.88 2rmx h VAL 89 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2rmx h VAL 89 Cb 0.08 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 29.88 2rmx h VAL 89 CO 0.02 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.79 2rmx h GLU 90 N -0.72 -0.26 -0.12 1.57 5.08 -1.07 1.11 114.58 120.17 2rmx h GLU 90 Ca 0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2rmx h GLU 90 Cb 0.71 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2rmx h GLU 90 CO -0.21 -0.17 0.32 1.25 -1.00 0.00 0.00 179.01 179.19 2rmx h HIS 91 N -0.27 0.00 0.00 4.33 2.76 -1.37 0.46 115.15 121.06 2rmx h HIS 91 Ca 0.14 0.00 -0.03 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 29.52 2rmx h HIS 91 CO -0.74 0.00 -1.41 1.19 -1.30 0.00 0.00 177.93 175.66 2rmx n PHE 92 N -3.22 0.63 0.42 5.26 3.72 0.33 -3.14 117.46 121.46 2rmx n PHE 92 Ca 0.01 0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2rmx n PHE 92 Cb 0.41 -0.83 0.49 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.49 0.11 116.57 117.66 2rmx h LYS 93 Ca -0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 2rmx h LYS 93 Cb 1.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 2rmx h LYS 93 CO 0.01 0.00 -2.00 0.36 -0.57 0.00 0.00 179.45 177.25 2rmx n LYS 94 N -2.35 0.87 -0.06 3.15 2.85 -1.12 -4.67 118.16 116.83 2rmx n LYS 94 Ca 0.03 0.07 -0.05 0.00 -1.05 0.00 0.00 58.31 57.30 2rmx n LYS 94 Cb 0.28 -1.36 -0.02 0.00 -0.65 0.00 0.00 35.03 33.28 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 -2.86 1.02 0.00 0.58 -2.24 -1.19 -5.13 114.28 104.47 2rmx n THR 95 Ca -0.29 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2rmx n THR 95 Cb 0.88 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 1.56 2.78 3.90 3.38 0.00 0.36 -5.04 105.19 112.13 2rmx n GLY 96 Ca -0.07 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.86 5.41 -0.25 -0.61 1.01 -1.03 -4.95 121.20 117.92 2rmx s ILE 97 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.54 2rmx s ILE 97 Cb 0.00 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.97 2rmx s ILE 97 CO 0.00 0.31 -0.10 -0.70 0.00 0.00 0.00 174.94 174.45 2rmx s GLU 98 N -1.97 2.39 0.18 2.79 2.12 -1.26 -0.98 118.70 121.97 2rmx s GLU 98 Ca 0.28 -1.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.06 2rmx s GLU 98 Cb -0.13 -2.90 -0.08 0.00 0.26 0.00 0.00 34.13 31.29 2rmx s GLU 98 CO 0.19 -0.52 1.00 -1.21 -0.54 0.00 0.00 175.26 174.18 2rmx s GLU 99 N 1.16 4.71 0.19 4.30 2.02 1.00 -4.95 118.70 127.13 2rmx s GLU 99 Ca -0.06 1.56 -0.23 0.00 0.02 0.00 0.00 54.97 56.26 2rmx s GLU 99 Cb -0.19 -3.31 0.11 0.00 0.10 0.00 0.00 34.13 30.84 2rmx s GLU 99 CO -0.05 0.27 1.56 0.00 0.02 0.00 0.00 175.26 177.06 2rmx h ALA 100 N 4.89 -0.14 -0.85 5.21 0.00 -1.99 0.95 119.26 127.32 2rmx h ALA 100 Ca -0.44 0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.84 2rmx h ALA 100 Cb 1.21 0.99 -0.16 0.00 0.00 0.00 0.00 17.79 19.83 2rmx h ALA 100 CO 0.70 -0.75 -0.13 0.45 0.00 0.00 0.00 179.25 179.52 2rmx n SER 101 N -5.41 -0.23 0.00 0.00 2.88 -1.26 -4.71 113.62 104.88 2rmx n SER 101 Ca 0.05 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 59.05 2rmx n SER 101 Cb 0.36 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2rmx n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rmx n GLY 102 N -1.50 0.39 3.57 0.46 0.00 0.32 -5.16 105.19 103.27 2rmx n GLY 102 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.39 2.95 -0.17 4.61 0.00 -1.16 -4.95 121.76 122.64 2rmx s ALA 103 Ca 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.43 2rmx s ALA 103 Cb 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2rmx s ALA 103 CO 0.00 0.42 -0.12 -0.06 0.00 0.00 0.00 175.76 176.01 2rmx s PHE 104 N -1.85 2.24 0.04 0.00 0.40 -1.26 -0.00 117.98 117.55 2rmx s PHE 104 Ca 0.26 -1.38 -0.21 0.00 -0.60 0.00 0.00 56.93 55.00 2rmx s PHE 104 Cb -0.08 -1.59 -0.06 0.00 0.51 0.00 0.00 43.02 41.80 2rmx s PHE 104 CO 0.16 -0.70 0.62 0.08 0.70 0.00 0.00 175.22 176.08 2rmx s VAL 105 N 1.46 4.79 0.03 -0.44 1.01 -0.15 -4.95 120.40 122.15 2rmx s VAL 105 Ca 0.02 1.31 0.09 0.00 0.00 0.00 0.00 61.98 63.39 2rmx s VAL 105 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2rmx s VAL 105 CO -0.09 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 174.91 2rmx s TYR 106 N -0.56 2.20 -0.45 5.22 2.02 -1.26 -2.45 117.35 122.08 2rmx s TYR 106 Ca 0.31 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 2rmx s TYR 106 Cb -0.19 -1.34 0.12 0.00 -0.40 0.00 0.00 41.96 40.15 2rmx s TYR 106 CO 0.19 0.08 0.19 -0.51 -1.57 0.00 0.00 175.55 173.93 2rmx s LEU 107 N -1.07 4.12 -0.19 -1.29 1.02 -1.26 -4.27 118.68 115.74 2rmx s LEU 107 Ca 0.10 -2.66 -0.21 0.00 0.02 0.00 0.00 54.13 51.38 2rmx s LEU 107 Cb -0.10 -1.52 -0.21 0.00 0.02 0.00 0.00 46.19 44.38 2rmx s LEU 107 CO 0.01 -0.29 0.31 0.03 0.02 0.00 0.00 176.35 176.44 2rmx h ARG 108 N 6.92 0.03 -3.78 1.70 3.08 -1.76 -3.42 114.38 117.14 2rmx h ARG 108 Ca -0.06 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.73 2rmx h ARG 108 Cb 0.94 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 30.75 2rmx h ARG 108 CO 0.60 1.03 -0.70 1.14 -1.07 0.00 0.00 179.97 180.97 2rmx s GLN 109 N -2.36 0.12 0.00 0.04 0.00 -1.23 -5.08 119.66 111.15 2rmx s GLN 109 Ca -0.27 -0.19 0.00 0.00 -0.00 0.00 0.00 55.36 54.90 2rmx s GLN 109 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 33.01 33.10 2rmx s GLN 109 CO 0.63 -0.02 0.00 -0.35 0.00 0.00 0.00 175.29 175.54 2rmx n PRO 110 N 2.56 -0.37 -3.81 9.60 -0.04 -1.26 -2.81 135.00 138.87 2rmx n PRO 110 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.02 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 -0.68 1.36 -0.28 0.54 5.04 -0.90 -4.59 117.35 117.84 2rmx s TYR 111 Ca 0.00 -0.99 -0.14 0.00 -2.44 0.00 0.00 57.07 53.50 2rmx s TYR 111 Cb 0.00 -1.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.12 2rmx s TYR 111 CO 0.00 -0.61 0.35 0.71 -1.34 0.00 0.00 175.55 174.66 2rmx s TYR 112 N 1.75 3.24 -0.01 4.97 2.02 -1.26 -4.84 117.35 123.21 2rmx s TYR 112 Ca -0.01 0.31 -0.24 0.00 -0.37 0.00 0.00 57.07 56.76 2rmx s TYR 112 Cb -0.16 -2.56 -0.19 0.00 -0.40 0.00 0.00 41.96 38.64 2rmx s TYR 112 CO -0.07 -0.25 1.23 0.66 -1.57 0.00 0.00 175.55 175.55 2rmx h SER 113 N 8.24 0.17 -4.31 2.29 4.64 -1.99 -3.49 113.55 119.10 2rmx h SER 113 Ca -0.32 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 2rmx h SER 113 Cb 1.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2rmx h SER 113 CO 0.64 0.69 -0.21 0.61 -0.87 0.00 0.00 176.83 177.69 2rmx n GLY 114 N 0.41 -0.99 3.59 -0.77 0.00 -1.26 -4.91 105.19 101.25 2rmx n GLY 114 Ca -0.08 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.20 3.23 -0.24 1.61 0.04 -1.26 -4.85 135.00 131.34 2rmx s PRO 115 Ca 0.11 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 2rmx s PRO 115 Cb -0.03 -4.20 -0.11 0.00 0.04 0.00 0.00 34.50 30.20 2rmx s PRO 115 CO 0.43 -1.98 -0.27 0.45 0.04 0.00 0.00 177.00 175.67 2rmx n SER 116 N 10.52 1.93 -4.32 6.66 2.88 -1.26 -4.82 113.62 125.21 2rmx n SER 116 Ca 0.21 0.37 -0.46 0.00 -1.33 0.00 0.00 58.87 57.66 2rmx n SER 116 Cb 0.48 -0.82 -0.04 0.00 -0.75 0.00 0.00 64.21 63.08 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 -6.91 6.35 0.00 -3.46 0.15 -1.26 -5.36 113.70 103.21 2rmx s SER 117 Ca -0.34 -2.00 0.24 0.00 0.70 0.00 0.00 55.95 54.55 2rmx s SER 117 Cb 0.10 -2.22 0.23 0.00 -1.71 0.00 0.00 66.02 62.41 2rmx s SER 117 CO 0.47 -0.81 1.28 0.61 1.20 0.00 0.00 173.24 175.99