#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 -0.62 -0.12 1.61 0.15 -1.26 -5.14 113.70 108.31 2rmx s SER 2 Ca 0.00 1.18 -0.24 0.00 0.70 0.00 0.00 55.95 57.59 2rmx s SER 2 Cb 0.00 1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 65.70 2rmx s SER 2 CO 0.00 -0.22 0.75 -0.55 1.20 0.00 0.00 173.24 174.42 2rmx s SER 3 N 2.21 6.94 0.00 5.45 0.15 -1.26 -5.00 113.70 122.19 2rmx s SER 3 Ca -0.06 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2rmx s SER 3 Cb -0.10 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2rmx s SER 3 CO -0.15 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2rmx n GLY 4 N 3.34 0.66 3.32 9.45 0.00 -1.26 -5.11 105.19 115.58 2rmx n GLY 4 Ca 0.01 0.63 -0.46 0.00 0.00 0.00 0.00 46.02 46.20 2rmx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rmx s SER 5 N 0.00 6.30 -0.20 1.61 1.04 -1.26 -5.04 113.70 116.15 2rmx s SER 5 Ca 0.00 -1.94 -0.23 0.00 0.48 0.00 0.00 55.95 54.25 2rmx s SER 5 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 2rmx s SER 5 CO 0.00 -0.82 0.76 -0.44 0.98 0.00 0.00 173.24 173.72 2rmx s SER 6 N 3.33 6.83 0.00 7.02 0.01 -1.26 -5.03 113.70 124.60 2rmx s SER 6 Ca 0.06 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2rmx s SER 6 Cb -0.26 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2rmx s SER 6 CO 0.01 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2rmx n GLY 7 N 3.66 0.57 0.43 3.44 0.00 -1.26 -5.00 105.19 107.02 2rmx n GLY 7 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2rmx n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rmx n TRP 8 N 0.00 0.00 -3.43 1.61 4.27 -1.26 -4.85 117.44 113.78 2rmx n TRP 8 Ca 0.00 -1.07 -0.41 0.00 -3.89 0.00 0.00 57.50 52.13 2rmx n TRP 8 Cb 0.00 -0.18 -0.10 0.00 -1.36 0.00 0.00 31.31 29.67 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 -2.55 3.21 -0.17 -2.67 5.04 -1.26 -1.05 117.35 117.90 2rmx s TYR 9 Ca 0.32 -0.15 -0.13 0.00 -2.44 0.00 0.00 57.07 54.66 2rmx s TYR 9 Cb 0.30 -2.64 -0.06 0.00 0.35 0.00 0.00 41.96 39.90 2rmx s TYR 9 CO -0.03 -0.46 -0.16 0.72 -1.34 0.00 0.00 175.55 174.28 2rmx n HIS 10 N 5.32 0.72 0.00 4.97 8.25 -0.29 -5.02 115.22 129.17 2rmx n HIS 10 Ca -0.10 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2rmx n HIS 10 Cb 0.49 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 1.54 0.70 3.69 -1.41 0.00 -1.26 -4.91 105.19 103.55 2rmx n GLY 11 Ca -0.15 -1.38 -0.60 0.00 0.00 0.00 0.00 46.02 43.89 2rmx n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rmx n HIS 12 N 0.00 1.94 -3.61 1.61 8.25 -1.26 -1.49 115.22 120.65 2rmx n HIS 12 Ca 0.00 0.67 -0.05 0.00 -0.26 0.00 0.00 57.72 58.07 2rmx n HIS 12 Cb 0.00 -2.41 -0.04 0.00 1.12 0.00 0.00 29.99 28.66 2rmx n HIS 12 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2rmx s MET 13 N 3.68 0.28 0.14 -0.41 0.00 -1.26 -4.93 119.30 116.80 2rmx s MET 13 Ca 1.01 0.06 0.06 0.00 0.00 0.00 0.00 55.69 56.82 2rmx s MET 13 Cb -1.17 0.13 -0.04 0.00 0.00 0.00 0.00 34.83 33.75 2rmx s MET 13 CO 0.69 -0.09 0.00 -1.12 0.00 0.00 0.00 175.02 174.50 2rmx s SER 14 N -1.13 4.91 0.01 1.11 0.01 -1.26 -4.55 113.70 112.80 2rmx s SER 14 Ca 0.05 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 2rmx s SER 14 Cb -0.01 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 2rmx s SER 14 CO -0.04 0.13 1.03 1.23 0.41 0.00 0.00 173.24 175.99 2rmx h GLY 15 N 3.01 -1.95 -0.25 3.44 0.00 -2.01 0.17 103.07 105.48 2rmx h GLY 15 Ca -0.47 0.85 0.27 0.00 0.00 0.00 0.00 47.33 47.98 2rmx h GLY 15 CO 0.59 -0.73 0.86 -1.33 0.00 0.00 0.00 176.54 175.93 2rmx h GLY 16 N -0.02 0.00 0.27 4.60 0.00 -2.01 -1.84 103.07 104.07 2rmx h GLY 16 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2rmx h GLY 16 CO -0.03 0.00 -0.13 -1.61 0.00 0.00 0.00 176.54 174.77 2rmx h GLN 17 N 0.00 -0.35 -0.87 4.80 4.15 -1.12 -3.24 115.11 118.49 2rmx h GLN 17 Ca 0.44 0.02 0.17 0.00 0.77 0.00 0.00 58.65 60.06 2rmx h GLN 17 Cb 2.16 0.08 -0.16 0.00 0.21 0.00 0.00 27.48 29.77 2rmx h GLN 17 CO -0.00 -0.24 -0.23 0.00 -1.93 0.00 0.00 178.83 176.43 2rmx n ALA 18 N -2.34 0.17 -0.25 3.38 0.00 -0.63 0.85 120.51 121.70 2rmx n ALA 18 Ca -0.05 0.94 0.03 0.00 0.00 0.00 0.00 53.44 54.36 2rmx n ALA 18 Cb 0.14 -0.55 0.11 0.00 0.00 0.00 0.00 19.45 19.15 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 0.04 0.72 0.00 5.08 -1.59 0.17 114.58 119.00 2rmx h GLU 19 Ca 0.40 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2rmx h GLU 19 Cb 0.62 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2rmx h GLU 19 CO -0.89 0.03 -0.35 1.15 -1.00 0.00 0.00 179.01 177.95 2rmx h THR 20 N 0.04 0.00 -0.77 1.13 2.02 0.44 0.27 112.91 116.03 2rmx h THR 20 Ca 0.37 -0.01 0.18 0.00 0.77 0.00 0.00 66.41 67.72 2rmx h THR 20 Cb 0.60 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 2rmx h THR 20 CO -0.70 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.17 2rmx h LEU 21 N -0.98 -0.28 0.38 2.58 4.07 -1.03 0.33 115.31 120.38 2rmx h LEU 21 Ca -0.10 0.19 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2rmx h LEU 21 Cb 0.74 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2rmx h LEU 21 CO 0.16 -0.17 -0.18 -0.07 -1.08 0.00 0.00 178.44 177.10 2rmx h LEU 22 N 0.13 -0.43 -1.42 1.67 3.38 -0.58 -2.53 115.31 115.53 2rmx h LEU 22 Ca 0.43 0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.77 2rmx h LEU 22 Cb 0.78 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 2rmx h LEU 22 CO -0.65 -0.26 0.77 1.56 0.09 0.00 0.00 178.44 179.95 2rmx h GLN 23 N -0.62 0.22 -0.71 1.13 4.20 -0.04 0.62 115.11 119.90 2rmx h GLN 23 Ca -0.05 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 2rmx h GLN 23 Cb 0.39 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2rmx h GLN 23 CO 0.09 0.14 0.24 0.00 -0.67 0.00 0.00 178.83 178.63 2rmx h ALA 24 N 1.60 0.93 -0.66 3.87 0.00 -0.26 -2.55 119.26 122.18 2rmx h ALA 24 Ca 0.70 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.49 2rmx h ALA 24 Cb 2.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 2rmx h ALA 24 CO -0.34 0.59 0.44 -0.22 0.00 0.00 0.00 179.25 179.72 2rmx h LYS 25 N 1.04 0.52 -2.63 0.00 1.63 0.69 -3.46 116.57 114.35 2rmx h LYS 25 Ca 0.23 -0.03 -0.38 0.00 -0.85 0.00 0.00 60.65 59.62 2rmx h LYS 25 Cb 0.28 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2rmx h LYS 25 CO -0.01 0.34 -0.48 0.41 -3.45 0.00 0.00 179.45 176.26 2rmx n GLY 26 N -1.49 -0.33 3.18 5.01 0.00 -0.96 -4.98 105.19 105.61 2rmx n GLY 26 Ca 0.11 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.89 3.06 0.39 1.61 0.41 -1.26 -5.08 118.70 112.94 2rmx s GLU 27 Ca 0.00 -0.82 -0.26 0.00 -0.41 0.00 0.00 54.97 53.48 2rmx s GLU 27 Cb 0.00 -2.53 -0.09 0.00 -1.78 0.00 0.00 34.13 29.73 2rmx s GLU 27 CO 0.00 -0.07 1.19 -1.25 -0.49 0.00 0.00 175.26 174.64 2rmx s PRO 28 N 0.97 4.09 -1.12 0.39 0.04 -1.26 -3.21 135.00 134.91 2rmx s PRO 28 Ca -0.03 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 2rmx s PRO 28 Cb -0.15 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2rmx s PRO 28 CO -0.05 -0.30 0.08 0.91 0.04 0.00 0.00 177.00 177.68 2rmx n TRP 29 N 0.19 -0.77 -3.02 0.56 5.03 0.88 -4.79 117.44 115.52 2rmx n TRP 29 Ca 0.04 0.07 -0.44 0.00 3.03 0.00 0.00 57.50 60.19 2rmx n TRP 29 Cb 0.46 -2.98 -0.04 0.00 -1.03 0.00 0.00 31.31 27.72 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 -2.73 4.74 0.44 -0.99 2.01 -1.20 -2.29 115.64 115.62 2rmx s THR 30 Ca 0.04 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 2rmx s THR 30 Cb -0.02 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2rmx s THR 30 CO 0.05 -1.29 0.73 0.72 -0.69 0.00 0.00 174.62 174.14 2rmx s PHE 31 N 2.84 3.54 -0.28 4.92 -0.71 -1.07 -2.12 117.98 125.08 2rmx s PHE 31 Ca 0.19 0.75 -0.16 0.00 -1.04 0.00 0.00 56.93 56.66 2rmx s PHE 31 Cb -0.17 -2.23 0.10 0.00 -1.21 0.00 0.00 43.02 39.51 2rmx s PHE 31 CO 0.03 -0.16 0.78 -0.48 -1.34 0.00 0.00 175.22 174.05 2rmx s LEU 32 N -4.49 -0.80 0.03 -1.99 0.05 -0.21 -1.26 118.68 110.01 2rmx s LEU 32 Ca 0.46 1.29 -0.17 0.00 0.05 0.00 0.00 54.13 55.76 2rmx s LEU 32 Cb -0.10 2.18 -0.06 0.00 -2.05 0.00 0.00 46.19 46.16 2rmx s LEU 32 CO 0.41 -0.20 0.49 -0.69 -0.55 0.00 0.00 176.35 175.80 2rmx s VAL 33 N 1.48 4.89 -0.04 1.48 1.01 -0.22 -2.66 120.40 126.34 2rmx s VAL 33 Ca -0.09 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.76 2rmx s VAL 33 Cb -0.05 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2rmx s VAL 33 CO -0.17 0.57 0.33 0.00 0.00 0.00 0.00 175.10 175.82 2rmx s ARG 34 N -1.08 0.64 -0.12 2.72 1.70 -1.21 -1.14 118.95 120.48 2rmx s ARG 34 Ca 0.26 -0.06 -0.29 0.00 -0.47 0.00 0.00 55.73 55.17 2rmx s ARG 34 Cb -0.18 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2rmx s ARG 34 CO 0.16 -0.17 0.98 -1.21 -1.08 0.00 0.00 175.30 173.98 2rmx s GLU 35 N -1.07 4.40 0.53 3.89 2.02 -0.56 -3.14 118.70 124.77 2rmx s GLU 35 Ca -0.11 1.33 -0.07 0.00 0.02 0.00 0.00 54.97 56.13 2rmx s GLU 35 Cb -0.05 -3.55 0.11 0.00 0.10 0.00 0.00 34.13 30.75 2rmx s GLU 35 CO 0.04 -0.32 0.25 0.43 0.02 0.00 0.00 175.26 175.68 2rmx n SER 36 N 5.06 -2.23 -4.48 -0.19 7.64 -1.26 -3.99 113.62 114.17 2rmx n SER 36 Ca 0.08 -0.26 -0.39 0.00 1.01 0.00 0.00 58.87 59.32 2rmx n SER 36 Cb 0.49 -0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 2rmx n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2rmx s LEU 37 N 0.00 4.19 -0.20 -3.43 1.43 -1.26 -4.50 118.68 114.91 2rmx s LEU 37 Ca 0.20 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2rmx s LEU 37 Cb -0.03 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2rmx s LEU 37 CO 0.16 -0.18 0.00 -0.24 0.23 0.00 0.00 176.35 176.32 2rmx n SER 38 N 5.02 -1.12 -4.74 2.29 2.88 -1.26 -4.85 113.62 111.84 2rmx n SER 38 Ca -0.14 0.29 -0.40 0.00 -1.33 0.00 0.00 58.87 57.29 2rmx n SER 38 Cb 0.50 -1.22 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 2rmx n SER 38 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2rmx s GLN 39 N -3.87 4.66 -0.48 -1.46 2.00 -1.26 -4.98 119.66 114.27 2rmx s GLN 39 Ca 0.00 1.33 -0.28 0.00 -2.00 0.00 0.00 55.36 54.42 2rmx s GLN 39 Cb 0.00 -3.35 -0.02 0.00 0.80 0.00 0.00 33.01 30.45 2rmx s GLN 39 CO 0.00 0.32 1.78 -1.25 -0.50 0.00 0.00 175.29 175.63 2rmx s PRO 40 N -0.32 3.02 -1.06 1.67 0.04 -1.26 -3.99 135.00 133.09 2rmx s PRO 40 Ca 0.43 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 2rmx s PRO 40 Cb -0.23 -4.27 0.03 0.00 0.04 0.00 0.00 34.50 30.07 2rmx s PRO 40 CO 0.28 -2.24 0.65 0.41 0.04 0.00 0.00 177.00 176.13 2rmx n GLY 41 N 5.51 -1.03 3.16 0.56 0.00 -1.26 -4.96 105.19 107.17 2rmx n GLY 41 Ca 0.21 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 2rmx n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rmx s ASP 42 N -3.31 0.35 0.30 1.61 -1.08 -1.26 -4.28 116.67 109.02 2rmx s ASP 42 Ca 0.29 -1.23 -0.02 0.00 -0.52 0.00 0.00 52.55 51.07 2rmx s ASP 42 Cb -0.16 0.30 -0.01 0.00 -1.46 0.00 0.00 42.92 41.58 2rmx s ASP 42 CO 0.95 -0.73 0.38 -0.36 0.52 0.00 0.00 175.17 175.93 2rmx s PHE 43 N -4.04 1.11 -0.08 -5.34 0.40 -0.94 -4.12 117.98 104.96 2rmx s PHE 43 Ca 0.26 -1.30 -0.06 0.00 -0.60 0.00 0.00 56.93 55.23 2rmx s PHE 43 Cb 0.07 -0.24 0.03 0.00 0.51 0.00 0.00 43.02 43.39 2rmx s PHE 43 CO 0.03 -0.99 0.21 0.08 0.70 0.00 0.00 175.22 175.26 2rmx s VAL 44 N -3.43 -0.01 -0.49 -0.44 1.01 -1.19 -0.44 120.40 115.40 2rmx s VAL 44 Ca 0.33 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 2rmx s VAL 44 Cb 0.01 -0.32 0.13 0.00 0.00 0.00 0.00 36.38 36.21 2rmx s VAL 44 CO 0.19 0.02 0.31 -0.22 0.00 0.00 0.00 175.10 175.40 2rmx s LEU 45 N 0.49 5.37 0.08 3.92 2.96 -0.43 -3.28 118.68 127.79 2rmx s LEU 45 Ca -0.03 -2.25 -0.22 0.00 -0.22 0.00 0.00 54.13 51.41 2rmx s LEU 45 Cb -0.05 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 2rmx s LEU 45 CO -0.02 -0.53 0.64 -0.44 -1.32 0.00 0.00 176.35 174.69 2rmx s SER 46 N 1.68 7.14 -0.06 3.68 0.01 -1.09 -3.35 113.70 121.72 2rmx s SER 46 Ca 0.10 1.35 -0.03 0.00 1.31 0.00 0.00 55.95 58.69 2rmx s SER 46 Cb -0.22 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.63 2rmx s SER 46 CO -0.03 0.20 0.13 -0.69 0.41 0.00 0.00 173.24 173.25 2rmx s VAL 47 N -0.81 -0.03 -0.75 3.43 1.01 -1.03 -1.04 120.40 121.16 2rmx s VAL 47 Ca 0.32 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 2rmx s VAL 47 Cb -0.20 -0.21 0.10 0.00 0.00 0.00 0.00 36.38 36.07 2rmx s VAL 47 CO 0.21 0.05 0.99 -0.22 0.00 0.00 0.00 175.10 176.12 2rmx s LEU 48 N 0.74 4.79 0.71 3.92 2.96 -0.90 -0.34 118.68 130.57 2rmx s LEU 48 Ca -0.06 -1.47 -0.16 0.00 -0.22 0.00 0.00 54.13 52.23 2rmx s LEU 48 Cb -0.08 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.23 2rmx s LEU 48 CO -0.03 -1.25 1.11 -1.54 -1.32 0.00 0.00 176.35 173.31 2rmx n SER 49 N 7.05 1.06 0.00 3.68 3.41 -0.28 -0.08 113.62 128.46 2rmx n SER 49 Ca 0.06 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2rmx n SER 49 Cb 0.46 -1.47 0.72 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.00 0.00 -4.55 4.04 2.03 -1.26 -3.99 116.55 110.82 2rmx n ASP 50 Ca 0.14 -0.96 -0.42 0.00 0.52 0.00 0.00 54.79 54.06 2rmx n ASP 50 Cb 0.49 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.83 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2rmx s GLN 51 N -2.00 3.51 0.55 -0.67 -0.21 -1.26 -4.99 119.66 114.59 2rmx s GLN 51 Ca 0.36 -0.11 -0.19 0.00 0.02 0.00 0.00 55.36 55.44 2rmx s GLN 51 Cb 0.17 -3.87 -0.05 0.00 1.00 0.00 0.00 33.01 30.25 2rmx s GLN 51 CO 0.28 -0.88 1.13 -1.25 -2.12 0.00 0.00 175.29 172.45 2rmx s PRO 52 N 2.82 3.30 0.18 2.91 0.04 -1.26 -2.10 135.00 140.90 2rmx s PRO 52 Ca 0.24 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 2rmx s PRO 52 Cb -0.14 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.53 2rmx s PRO 52 CO 0.17 -0.88 1.80 0.87 0.04 0.00 0.00 177.00 179.00 2rmx h LYS 53 N 1.08 0.57 0.00 4.56 1.57 -1.81 -3.42 116.57 119.12 2rmx h LYS 53 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2rmx h LYS 53 Cb 1.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2rmx h LYS 53 CO 0.57 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 2rmx n ALA 54 N -2.31 2.71 -3.00 3.86 0.00 -1.26 -5.10 120.51 115.41 2rmx n ALA 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2rmx n ALA 54 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 3.33 4.52 3.57 0.00 0.00 -1.26 -5.03 105.19 110.32 2rmx n GLY 55 Ca 0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 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 1.57 2.51 0.00 1.61 0.04 -1.26 -2.55 135.00 136.92 2rmx s PRO 56 Ca 0.00 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.19 2rmx s PRO 56 Cb 0.00 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.36 2rmx s PRO 56 CO 0.00 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 173.67 2rmx n GLY 57 N 6.18 0.48 3.82 0.56 0.00 -1.26 -5.15 105.19 109.83 2rmx n GLY 57 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 5.95 -0.24 1.61 1.04 -1.05 -4.97 113.70 116.03 2rmx s SER 58 Ca 0.00 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 2rmx s SER 58 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 2rmx s SER 58 CO 0.00 -1.05 1.62 -2.16 0.98 0.00 0.00 173.24 172.62 2rmx s PRO 59 N -4.29 3.76 0.37 4.02 0.04 -1.26 -4.58 135.00 133.06 2rmx s PRO 59 Ca 0.61 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 63.06 2rmx s PRO 59 Cb -0.14 -4.04 -0.15 0.00 0.04 0.00 0.00 34.50 30.21 2rmx s PRO 59 CO 0.39 -1.34 0.11 1.28 0.04 0.00 0.00 177.00 177.48 2rmx n LEU 60 N 8.56 -2.65 -4.77 -3.56 4.77 -1.26 -3.94 117.00 114.15 2rmx n LEU 60 Ca 0.19 0.79 -0.33 0.00 -0.03 0.00 0.00 56.01 56.63 2rmx n LEU 60 Cb 0.45 -0.84 0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2rmx n LEU 60 CO 0.65 -3.94 0.75 -0.60 -1.33 0.00 0.00 177.39 172.92 2rmx s ARG 61 N -0.95 2.95 -0.16 3.23 6.06 -0.89 -4.74 118.95 124.45 2rmx s ARG 61 Ca 0.57 1.42 0.01 0.00 -2.50 0.00 0.00 55.73 55.23 2rmx s ARG 61 Cb -0.62 -1.97 0.00 0.00 0.06 0.00 0.00 34.95 32.42 2rmx s ARG 61 CO 0.59 -1.14 -0.17 0.08 -2.50 0.00 0.00 175.30 172.17 2rmx s VAL 62 N -2.23 2.51 -0.45 7.11 1.01 -1.26 -1.12 120.40 125.97 2rmx s VAL 62 Ca 0.68 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2rmx s VAL 62 Cb -0.21 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2rmx s VAL 62 CO 0.38 0.52 0.52 -0.89 0.00 0.00 0.00 175.10 175.63 2rmx s THR 63 N 0.90 5.00 -0.35 3.92 2.01 0.54 -4.93 115.64 122.72 2rmx s THR 63 Ca -0.04 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 2rmx s THR 63 Cb -0.15 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2rmx s THR 63 CO -0.02 -0.56 0.39 -1.00 -0.69 0.00 0.00 174.62 172.73 2rmx s HIS 64 N 2.34 3.20 -0.14 4.92 3.76 -1.26 -2.47 115.29 125.64 2rmx s HIS 64 Ca 0.14 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2rmx s HIS 64 Cb -0.18 -2.72 0.02 0.00 1.11 0.00 0.00 32.58 30.81 2rmx s HIS 64 CO 0.14 -0.48 -0.17 0.42 -0.85 0.00 0.00 174.74 173.80 2rmx s ILE 65 N 2.07 1.69 -0.03 0.60 1.01 -1.21 -5.01 121.20 120.30 2rmx s ILE 65 Ca 0.12 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2rmx s ILE 65 Cb -0.17 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2rmx s ILE 65 CO 0.12 0.48 1.23 -0.54 0.00 0.00 0.00 174.94 176.23 2rmx s LYS 66 N 1.18 4.35 -0.51 2.79 1.02 -1.26 -1.31 119.74 126.00 2rmx s LYS 66 Ca -0.01 1.73 -0.15 0.00 0.02 0.00 0.00 55.97 57.56 2rmx s LYS 66 Cb -0.14 -3.54 0.11 0.00 -0.52 0.00 0.00 37.83 33.75 2rmx s LYS 66 CO -0.06 -0.45 0.45 0.08 -0.92 0.00 0.00 175.35 174.45 2rmx s VAL 67 N 2.12 5.11 1.07 3.17 1.01 0.41 -4.72 120.40 128.57 2rmx s VAL 67 Ca 0.57 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 2rmx s VAL 67 Cb -0.26 -4.22 0.23 0.00 0.00 0.00 0.00 36.38 32.13 2rmx s VAL 67 CO 0.23 -0.78 1.07 -0.04 0.00 0.00 0.00 175.10 175.59 2rmx s MET 68 N 1.59 -0.18 -0.03 2.72 -1.94 -0.54 -2.22 119.30 118.70 2rmx s MET 68 Ca 0.03 0.59 0.01 0.00 -1.71 0.00 0.00 55.69 54.62 2rmx s MET 68 Cb -0.28 -1.66 0.02 0.00 2.01 0.00 0.00 34.83 34.92 2rmx s MET 68 CO 0.04 -3.16 -0.03 0.00 -0.01 0.00 0.00 175.02 171.85 2rmx s GLU 70 N 0.71 1.92 -1.19 0.00 2.02 -0.10 -4.83 118.70 117.24 2rmx s GLU 70 Ca -0.08 -2.64 -0.02 0.00 0.02 0.00 0.00 54.97 52.25 2rmx s GLU 70 Cb -0.12 -3.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 2rmx s GLU 70 CO -0.01 -1.16 0.93 0.41 0.02 0.00 0.00 175.26 175.46 2rmx n GLY 71 N 2.97 -0.52 0.44 -1.39 0.00 -1.26 -2.60 105.19 102.84 2rmx n GLY 71 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.23 2.89 3.79 -0.02 0.00 -1.26 -5.03 105.19 104.32 2rmx n GLY 72 Ca -0.25 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 0.38 0.02 1.61 0.52 -1.07 -4.69 118.95 115.73 2rmx s ARG 73 Ca 0.00 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2rmx s ARG 73 Cb 0.00 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 2rmx s ARG 73 CO 0.00 -2.65 -0.05 0.71 0.02 0.00 0.00 175.30 173.33 2rmx s TYR 74 N -3.42 0.41 0.10 -0.53 2.02 -0.65 -0.92 117.35 114.36 2rmx s TYR 74 Ca 0.69 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.86 2rmx s TYR 74 Cb -0.10 -0.26 0.00 0.00 -0.40 0.00 0.00 41.96 41.21 2rmx s TYR 74 CO 0.54 -0.12 0.24 -0.08 -1.57 0.00 0.00 175.55 174.56 2rmx s THR 75 N -1.17 0.12 -0.45 -0.71 -1.32 -0.90 -1.20 115.64 110.01 2rmx s THR 75 Ca -0.11 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.32 2rmx s THR 75 Cb -0.08 -1.35 0.13 0.00 -1.51 0.00 0.00 72.50 69.68 2rmx s THR 75 CO -0.00 -0.56 0.23 0.68 -2.21 0.00 0.00 174.62 172.76 2rmx s VAL 76 N -3.86 1.85 -0.79 5.08 -7.23 -1.26 -1.46 120.40 112.72 2rmx s VAL 76 Ca 0.06 -2.75 0.00 0.00 -1.81 0.00 0.00 61.98 57.48 2rmx s VAL 76 Cb 0.04 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2rmx s VAL 76 CO -0.10 -0.83 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2rmx n GLY 77 N 3.51 0.71 3.44 2.32 0.00 -1.26 -4.88 105.19 109.03 2rmx n GLY 77 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.61 1.84 0.47 -0.02 0.00 -1.26 -5.03 107.32 101.71 2rmx s GLY 78 Ca 0.00 -1.90 0.26 0.00 0.00 0.00 0.00 44.72 43.09 2rmx s GLY 78 CO 0.00 -1.88 1.74 1.41 0.00 0.00 0.00 173.10 174.38 2rmx h LEU 79 N 2.28 0.00-10.39 0.66 3.38 -2.01 -3.46 115.31 105.77 2rmx h LEU 79 Ca -0.40 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.11 2rmx h LEU 79 Cb 1.24 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.14 2rmx h LEU 79 CO 0.66 0.03 0.22 -1.61 0.09 0.00 0.00 178.44 177.84 2rmx s GLU 80 N -3.38 0.64 0.26 1.13 0.41 -1.26 -5.08 118.70 111.42 2rmx s GLU 80 Ca 0.05 0.46 -0.04 0.00 -0.41 0.00 0.00 54.97 55.02 2rmx s GLU 80 Cb 0.07 -1.77 -0.02 0.00 -1.78 0.00 0.00 34.13 30.63 2rmx s GLU 80 CO 0.63 -2.57 0.33 0.95 -0.49 0.00 0.00 175.26 174.11 2rmx s THR 81 N -3.05 0.00 -0.13 3.63 -4.23 -1.26 -4.58 115.64 106.02 2rmx s THR 81 Ca 0.65 -1.72 -0.09 0.00 -1.18 0.00 0.00 61.69 59.34 2rmx s THR 81 Cb -0.17 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.27 2rmx s THR 81 CO 0.56 0.00 0.32 -0.36 -0.54 0.00 0.00 174.62 174.60 2rmx s PHE 82 N -3.80 -0.39 0.22 3.99 0.40 -0.34 -4.92 117.98 113.15 2rmx s PHE 82 Ca 0.32 0.92 -0.13 0.00 -0.60 0.00 0.00 56.93 57.44 2rmx s PHE 82 Cb 0.02 0.13 0.29 0.00 0.51 0.00 0.00 43.02 43.98 2rmx s PHE 82 CO 0.14 -0.21 1.40 -0.25 0.70 0.00 0.00 175.22 177.00 2rmx n ASP 83 N 3.46 -0.49 -3.09 1.36 9.92 -1.26 -1.64 116.55 124.80 2rmx n ASP 83 Ca -0.18 1.57 -0.07 0.00 -0.53 0.00 0.00 54.79 55.58 2rmx n ASP 83 Cb 0.56 -0.40 0.02 0.00 -0.64 0.00 0.00 41.12 40.66 2rmx n ASP 83 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2rmx s SER 84 N -5.29 -0.01 0.54 -2.24 0.15 -1.26 -4.25 113.70 101.33 2rmx s SER 84 Ca -0.13 -0.99 0.40 0.00 0.70 0.00 0.00 55.95 55.92 2rmx s SER 84 Cb 0.21 0.76 1.58 0.00 -1.71 0.00 0.00 66.02 66.86 2rmx s SER 84 CO 0.67 -1.50 1.73 -0.07 1.20 0.00 0.00 173.24 175.27 2rmx h LEU 85 N 2.00 0.03 0.73 3.45 -0.00 -1.93 0.45 115.31 120.03 2rmx h LEU 85 Ca -0.30 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.55 2rmx h LEU 85 Cb 1.24 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2rmx h LEU 85 CO 0.38 -0.00 -0.35 0.74 -0.00 0.00 0.00 178.44 179.21 2rmx h THR 86 N 0.02 0.04 -0.81 0.22 2.02 -1.96 0.13 112.91 112.57 2rmx h THR 86 Ca 0.68 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.58 2rmx h THR 86 Cb 2.66 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 2rmx h THR 86 CO -0.03 0.00 0.49 -0.78 0.37 0.00 0.00 175.52 175.57 2rmx h ASP 87 N -1.24 0.97 0.32 4.18 3.58 -1.44 -0.32 116.42 122.47 2rmx h ASP 87 Ca -0.10 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.28 2rmx h ASP 87 Cb 0.76 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2rmx h ASP 87 CO 0.16 0.74 -0.15 0.25 -2.88 0.00 0.00 179.24 177.36 2rmx h LEU 88 N 1.12 -0.37 -0.06 2.28 6.46 -0.99 -2.18 115.31 121.56 2rmx h LEU 88 Ca 0.29 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.10 2rmx h LEU 88 Cb -0.05 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 2rmx h LEU 88 CO -0.06 -0.20 -0.44 0.58 -0.62 0.00 0.00 178.44 177.70 2rmx h VAL 89 N -0.56 0.12 -0.63 1.05 2.07 -0.73 -1.61 116.25 115.97 2rmx h VAL 89 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2rmx h VAL 89 Cb 0.33 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 2rmx h VAL 89 CO 0.07 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.93 2rmx h GLU 90 N -0.55 -0.18 -0.07 1.57 4.39 -1.16 1.31 114.58 119.89 2rmx h GLU 90 Ca 0.05 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2rmx h GLU 90 Cb 0.65 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2rmx h GLU 90 CO -0.36 -0.12 0.17 1.25 -1.16 0.00 0.00 179.01 178.79 2rmx h HIS 91 N -0.18 0.00 0.00 4.33 2.76 -0.85 0.90 115.15 122.11 2rmx h HIS 91 Ca 0.21 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 2rmx h HIS 91 Cb 0.56 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 2rmx h HIS 91 CO -0.71 0.00 -1.61 1.19 -1.30 0.00 0.00 177.93 175.50 2rmx n PHE 92 N -3.36 0.62 0.32 5.26 3.72 0.37 -3.18 117.46 121.22 2rmx n PHE 92 Ca -0.01 0.20 0.15 0.00 -0.05 0.00 0.00 57.45 57.74 2rmx n PHE 92 Cb 0.25 -0.92 0.67 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.34 0.13 116.57 117.53 2rmx h LYS 93 Ca -0.15 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.34 2rmx h LYS 93 Cb 1.45 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 2rmx h LYS 93 CO 0.02 0.00 -2.08 0.36 -0.57 0.00 0.00 179.45 177.19 2rmx n LYS 94 N -2.69 1.20 -0.00 3.15 2.85 -1.13 -4.58 118.16 116.96 2rmx n LYS 94 Ca 0.01 0.03 -0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2rmx n LYS 94 Cb 0.22 -1.40 -0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 -2.72 0.06 0.00 0.58 -2.24 -1.14 -5.12 114.28 103.70 2rmx n THR 95 Ca -0.28 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2rmx n THR 95 Cb 0.96 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 1.54 3.20 3.85 3.38 0.00 0.43 -5.00 105.19 112.59 2rmx n GLY 96 Ca -0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.70 5.45 -0.20 -0.61 1.01 -1.10 -4.91 121.20 118.14 2rmx s ILE 97 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 2rmx s ILE 97 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2rmx s ILE 97 CO 0.00 0.58 0.09 -0.70 0.00 0.00 0.00 174.94 174.91 2rmx s GLU 98 N -0.75 4.03 -0.18 2.79 2.56 -1.26 -0.84 118.70 125.06 2rmx s GLU 98 Ca 0.14 -0.31 -0.13 0.00 0.00 0.00 0.00 54.97 54.68 2rmx s GLU 98 Cb -0.12 -3.31 -0.05 0.00 2.00 0.00 0.00 34.13 32.65 2rmx s GLU 98 CO 0.04 0.24 0.26 -1.21 -0.56 0.00 0.00 175.26 174.02 2rmx s GLU 99 N 0.50 4.22 0.26 4.30 2.02 0.77 -4.96 118.70 125.81 2rmx s GLU 99 Ca 0.05 0.01 0.14 0.00 0.02 0.00 0.00 54.97 55.19 2rmx s GLU 99 Cb -0.12 -3.45 0.92 0.00 0.10 0.00 0.00 34.13 31.58 2rmx s GLU 99 CO 0.00 0.20 1.12 0.00 0.02 0.00 0.00 175.26 176.60 2rmx n ALA 100 N 3.75 0.70 -0.13 5.21 0.00 -1.26 0.19 120.51 128.97 2rmx n ALA 100 Ca -0.13 0.73 -0.04 0.00 0.00 0.00 0.00 53.44 54.00 2rmx n ALA 100 Cb 0.52 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.30 2rmx n ALA 100 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2rmx h SER 101 N 0.00 -0.05 0.00 0.00 0.02 -2.04 -3.46 113.55 108.02 2rmx h SER 101 Ca 0.59 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.62 2rmx h SER 101 Cb 1.53 0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2rmx h SER 101 CO -0.56 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 175.75 2rmx n GLY 102 N -1.27 0.62 3.47 -3.77 0.00 0.51 -5.16 105.19 99.59 2rmx n GLY 102 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.62 2.63 -0.29 4.61 0.00 -1.19 -4.93 121.76 121.98 2rmx s ALA 103 Ca 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2rmx s ALA 103 Cb 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.58 2rmx s ALA 103 CO 0.00 0.58 -0.05 -0.06 0.00 0.00 0.00 175.76 176.23 2rmx s PHE 104 N -1.14 3.34 0.20 0.00 0.40 -1.26 -0.16 117.98 119.37 2rmx s PHE 104 Ca 0.17 -2.31 -0.30 0.00 -0.60 0.00 0.00 56.93 53.90 2rmx s PHE 104 Cb -0.10 -2.15 -0.08 0.00 0.51 0.00 0.00 43.02 41.20 2rmx s PHE 104 CO 0.09 -0.87 1.15 0.08 0.70 0.00 0.00 175.22 176.37 2rmx s VAL 105 N 1.11 3.63 -0.01 -0.44 1.01 -0.02 -4.88 120.40 120.81 2rmx s VAL 105 Ca -0.05 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.43 2rmx s VAL 105 Cb -0.20 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2rmx s VAL 105 CO -0.04 0.25 -0.21 -0.31 0.00 0.00 0.00 175.10 174.79 2rmx s TYR 106 N -0.31 2.48 -0.49 5.22 2.02 -1.26 -2.72 117.35 122.29 2rmx s TYR 106 Ca 0.50 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 2rmx s TYR 106 Cb -0.32 -1.52 0.13 0.00 -0.40 0.00 0.00 41.96 39.85 2rmx s TYR 106 CO 0.37 0.10 0.24 -0.51 -1.57 0.00 0.00 175.55 174.18 2rmx s LEU 107 N -0.87 3.92 -0.10 -1.29 1.02 -1.26 -4.18 118.68 115.92 2rmx s LEU 107 Ca 0.11 -2.86 -0.16 0.00 0.02 0.00 0.00 54.13 51.24 2rmx s LEU 107 Cb -0.10 -1.49 -0.28 0.00 0.02 0.00 0.00 46.19 44.35 2rmx s LEU 107 CO 0.01 -0.25 0.59 0.03 0.02 0.00 0.00 176.35 176.75 2rmx h ARG 108 N 6.63 0.25 -3.38 1.70 3.08 -1.75 -3.42 114.38 117.48 2rmx h ARG 108 Ca -0.06 -0.42 -0.18 0.00 0.07 0.00 0.00 59.98 59.38 2rmx h ARG 108 Cb 0.91 0.16 -0.25 0.00 0.08 0.00 0.00 29.97 30.86 2rmx h ARG 108 CO 0.63 1.20 -0.53 1.14 -1.07 0.00 0.00 179.97 181.35 2rmx s GLN 109 N -2.47 0.23 0.00 0.04 0.00 -1.21 -5.09 119.66 111.17 2rmx s GLN 109 Ca -0.19 0.12 0.00 0.00 -0.00 0.00 0.00 55.36 55.28 2rmx s GLN 109 Cb 0.04 0.11 0.00 0.00 0.00 0.00 0.00 33.01 33.16 2rmx s GLN 109 CO 0.77 -0.04 0.00 -0.35 0.00 0.00 0.00 175.29 175.67 2rmx n PRO 110 N 2.74 0.04 -3.84 9.60 -0.04 -1.26 -2.61 135.00 139.63 2rmx n PRO 110 Ca -0.14 0.00 -0.29 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 -0.47 1.68 0.10 0.54 5.04 -0.39 -4.53 117.35 119.31 2rmx s TYR 111 Ca 0.00 -1.23 -0.07 0.00 -2.44 0.00 0.00 57.07 53.33 2rmx s TYR 111 Cb 0.00 -1.29 -0.05 0.00 0.35 0.00 0.00 41.96 40.96 2rmx s TYR 111 CO 0.00 -0.67 0.36 0.71 -1.34 0.00 0.00 175.55 174.61 2rmx s TYR 112 N 1.64 3.53 -0.67 4.97 2.02 -1.26 -4.87 117.35 122.71 2rmx s TYR 112 Ca -0.02 0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 57.27 2rmx s TYR 112 Cb -0.17 -2.05 0.17 0.00 -0.40 0.00 0.00 41.96 39.51 2rmx s TYR 112 CO -0.07 0.49 0.50 0.45 -1.57 0.00 0.00 175.55 175.35 2rmx s SER 113 N -2.08 5.46 0.00 2.29 0.15 -1.26 -4.87 113.70 113.39 2rmx s SER 113 Ca 0.36 -2.88 0.00 0.00 0.70 0.00 0.00 55.95 54.13 2rmx s SER 113 Cb -0.13 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2rmx s SER 113 CO 0.21 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2rmx n GLY 114 N 3.49 -0.52 3.66 9.45 0.00 -1.26 -5.17 105.19 114.83 2rmx n GLY 114 Ca 0.09 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.01 -0.19 1.61 0.04 -1.26 -5.03 135.00 130.18 2rmx s PRO 115 Ca 0.00 0.38 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 2rmx s PRO 115 Cb 0.00 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 2rmx s PRO 115 CO 0.00 -2.98 -0.24 0.43 0.04 0.00 0.00 177.00 174.25 2rmx n SER 116 N -4.33 1.40 -4.91 6.66 7.64 -1.26 -5.03 113.62 113.79 2rmx n SER 116 Ca 0.06 0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.88 2rmx n SER 116 Cb 0.58 -0.54 0.08 0.00 -1.01 0.00 0.00 64.21 63.32 2rmx n SER 116 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rmx s SER 117 N -6.63 4.72 0.00 6.43 0.01 -1.26 -5.37 113.70 111.60 2rmx s SER 117 Ca -0.26 0.69 0.03 0.00 1.31 0.00 0.00 55.95 57.71 2rmx s SER 117 Cb 0.10 -1.28 0.02 0.00 0.21 0.00 0.00 66.02 65.08 2rmx s SER 117 CO 0.33 -1.73 0.59 0.61 0.41 0.00 0.00 173.24 173.46