#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmx n SER 2 N 0.00 -0.76 -3.88 1.61 2.88 -1.26 -5.02 113.62 107.19 2rmx n SER 2 Ca 0.00 0.68 -0.11 0.00 -1.33 0.00 0.00 58.87 58.11 2rmx n SER 2 Cb 0.00 -1.23 -0.12 0.00 -0.75 0.00 0.00 64.21 62.11 2rmx n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rmx s SER 3 N -1.33 0.02 0.00 -3.46 1.04 -1.26 -5.10 113.70 103.61 2rmx s SER 3 Ca 0.69 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2rmx s SER 3 Cb -0.40 0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2rmx s SER 3 CO 0.54 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2rmx n GLY 4 N 2.24 -0.07 4.38 7.32 0.00 -1.26 -4.94 105.19 112.86 2rmx n GLY 4 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2rmx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rmx n SER 5 N -1.76 0.18 -0.01 1.61 7.64 -1.26 -4.86 113.62 115.15 2rmx n SER 5 Ca 0.00 -1.27 -0.00 0.00 1.01 0.00 0.00 58.87 58.60 2rmx n SER 5 Cb 0.00 -1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 61.61 2rmx n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2rmx h SER 6 N -1.53 -0.02 0.00 6.43 0.87 -1.92 -3.46 113.55 113.92 2rmx h SER 6 Ca -0.64 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2rmx h SER 6 Cb 1.40 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2rmx h SER 6 CO 0.76 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 2rmx n GLY 7 N 1.76 2.30 0.99 5.77 0.00 -1.26 -0.77 105.19 113.99 2rmx n GLY 7 Ca -0.00 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 4.93 0.82 -3.61 1.61 4.27 -1.26 -4.84 117.44 119.36 2rmx n TRP 8 Ca 0.00 -1.51 -0.40 0.00 -3.89 0.00 0.00 57.50 51.70 2rmx n TRP 8 Cb 0.00 -0.42 -0.11 0.00 -1.36 0.00 0.00 31.31 29.42 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 -3.20 3.24 -0.16 -2.67 5.04 0.05 -1.74 117.35 117.92 2rmx s TYR 9 Ca 0.43 -1.00 -0.18 0.00 -2.44 0.00 0.00 57.07 53.88 2rmx s TYR 9 Cb 0.39 -2.43 -0.15 0.00 0.35 0.00 0.00 41.96 40.12 2rmx s TYR 9 CO -0.01 -0.65 0.28 0.45 -1.34 0.00 0.00 175.55 174.28 2rmx h HIS 10 N 8.42 0.00 0.00 4.97 3.86 -1.80 -3.47 115.15 127.13 2rmx h HIS 10 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2rmx h HIS 10 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2rmx h HIS 10 CO 0.57 0.86 0.00 0.41 0.86 0.00 0.00 177.93 180.64 2rmx n GLY 11 N 1.57 0.56 3.55 2.45 0.00 -1.26 -4.91 105.19 107.15 2rmx n GLY 11 Ca -0.16 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 2rmx n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2rmx s HIS 12 N 0.00 2.02 0.02 1.61 5.65 -1.26 -3.18 115.29 120.15 2rmx s HIS 12 Ca 0.00 0.25 -0.20 0.00 0.25 0.00 0.00 55.06 55.36 2rmx s HIS 12 Cb 0.00 -4.37 0.04 0.00 -1.18 0.00 0.00 32.58 27.07 2rmx s HIS 12 CO 0.00 -2.12 0.44 1.41 -0.65 0.00 0.00 174.74 173.82 2rmx s MET 13 N 6.28 0.89 0.21 2.88 0.00 -1.26 -5.08 119.30 123.23 2rmx s MET 13 Ca 0.52 -0.21 0.11 0.00 0.00 0.00 0.00 55.69 56.11 2rmx s MET 13 Cb -0.09 0.40 -0.05 0.00 0.00 0.00 0.00 34.83 35.10 2rmx s MET 13 CO 0.13 -0.29 -0.23 -1.12 0.00 0.00 0.00 175.02 173.51 2rmx s SER 14 N -1.71 3.41 0.01 1.11 0.01 -1.26 -4.77 113.70 110.50 2rmx s SER 14 Ca -0.08 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.25 2rmx s SER 14 Cb -0.02 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 2rmx s SER 14 CO 0.01 0.09 1.04 1.23 0.41 0.00 0.00 173.24 176.02 2rmx h GLY 15 N 2.97 -1.77 -0.89 3.44 0.00 -2.00 0.11 103.07 104.95 2rmx h GLY 15 Ca -0.44 0.78 0.42 0.00 0.00 0.00 0.00 47.33 48.08 2rmx h GLY 15 CO 0.51 -0.66 1.03 -1.33 0.00 0.00 0.00 176.54 176.10 2rmx h GLY 16 N -0.03 0.05 0.18 4.60 0.00 -2.01 -1.83 103.07 104.02 2rmx h GLY 16 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2rmx h GLY 16 CO -0.04 -0.01 -0.08 -1.61 0.00 0.00 0.00 176.54 174.80 2rmx h GLN 17 N 0.01 -0.23 -0.78 4.80 4.15 -1.37 -3.15 115.11 118.54 2rmx h GLN 17 Ca 0.69 0.02 0.22 0.00 0.77 0.00 0.00 58.65 60.35 2rmx h GLN 17 Cb 2.74 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 30.33 2rmx h GLN 17 CO -0.02 -0.15 0.03 0.00 -1.93 0.00 0.00 178.83 176.76 2rmx n ALA 18 N -2.35 0.42 -0.12 3.38 0.00 0.18 0.17 120.51 122.20 2rmx n ALA 18 Ca -0.03 0.84 -0.06 0.00 0.00 0.00 0.00 53.44 54.19 2rmx n ALA 18 Cb 0.09 -0.62 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 0.32 -0.26 0.00 5.08 -1.57 0.72 114.58 118.87 2rmx h GLU 19 Ca 0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2rmx h GLU 19 Cb 1.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2rmx h GLU 19 CO -0.73 0.21 0.17 1.15 -1.00 0.00 0.00 179.01 178.81 2rmx h THR 20 N 0.33 1.07 -0.27 1.13 2.02 0.18 0.40 112.91 117.77 2rmx h THR 20 Ca 0.17 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2rmx h THR 20 Cb 0.13 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2rmx h THR 20 CO -0.16 0.07 0.16 -0.07 0.37 0.00 0.00 175.52 175.89 2rmx h LEU 21 N 0.35 0.33 0.44 2.58 4.07 -0.92 0.10 115.31 122.27 2rmx h LEU 21 Ca 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 2rmx h LEU 21 Cb -0.04 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2rmx h LEU 21 CO -0.02 0.30 -0.21 -0.07 -1.08 0.00 0.00 178.44 177.36 2rmx h LEU 22 N 0.34 -0.51 -0.68 1.67 3.38 -0.66 -2.19 115.31 116.66 2rmx h LEU 22 Ca 0.10 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.23 2rmx h LEU 22 Cb 0.04 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 2rmx h LEU 22 CO -0.02 -0.26 0.01 1.56 0.09 0.00 0.00 178.44 179.82 2rmx h GLN 23 N -0.81 0.11 -0.80 1.13 4.20 -0.26 0.94 115.11 119.63 2rmx h GLN 23 Ca -0.06 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.73 2rmx h GLN 23 Cb 0.46 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 2rmx h GLN 23 CO 0.10 0.08 0.46 0.00 -0.67 0.00 0.00 178.83 178.79 2rmx h ALA 24 N 1.62 1.13 -0.72 3.87 0.00 -0.83 -0.69 119.26 123.64 2rmx h ALA 24 Ca 0.36 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.41 2rmx h ALA 24 Cb 0.60 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2rmx h ALA 24 CO -0.58 0.10 0.47 -0.22 0.00 0.00 0.00 179.25 179.02 2rmx h LYS 25 N 0.78 0.51 -1.23 0.00 1.63 -0.14 -3.45 116.57 114.66 2rmx h LYS 25 Ca 0.38 -0.03 -0.36 0.00 -0.85 0.00 0.00 60.65 59.79 2rmx h LYS 25 Cb 0.33 -0.11 -0.12 0.00 -0.60 0.00 0.00 32.23 31.73 2rmx h LYS 25 CO -0.24 0.34 -0.36 0.41 -3.45 0.00 0.00 179.45 176.15 2rmx n GLY 26 N -1.49 1.29 3.40 5.01 0.00 -0.27 -4.97 105.19 108.16 2rmx n GLY 26 Ca 0.12 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.82 3.55 0.39 1.61 2.02 -1.26 -5.06 118.70 116.13 2rmx s GLU 27 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.20 2rmx s GLU 27 Cb 0.00 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 2rmx s GLU 27 CO 0.00 -0.17 1.19 -1.25 0.02 0.00 0.00 175.26 175.06 2rmx s PRO 28 N 1.49 4.10 -0.91 0.39 0.04 -1.26 -3.30 135.00 135.55 2rmx s PRO 28 Ca 0.06 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 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 0.01 -0.30 0.19 0.91 0.04 0.00 0.00 177.00 177.85 2rmx n TRP 29 N 0.20 -0.86 -3.21 0.56 5.03 0.40 -4.83 117.44 114.74 2rmx n TRP 29 Ca 0.04 0.17 -0.46 0.00 3.03 0.00 0.00 57.50 60.28 2rmx n TRP 29 Cb 0.46 -2.81 -0.04 0.00 -1.03 0.00 0.00 31.31 27.89 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 -2.75 5.10 0.32 -0.99 2.01 -1.21 -2.35 115.64 115.77 2rmx s THR 30 Ca 0.10 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 60.55 2rmx s THR 30 Cb -0.04 -4.46 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 2rmx s THR 30 CO 0.12 -1.05 0.59 0.72 -0.69 0.00 0.00 174.62 174.30 2rmx s PHE 31 N 1.83 3.48 -0.27 4.92 -0.71 -0.96 -1.83 117.98 124.44 2rmx s PHE 31 Ca 0.12 0.66 -0.15 0.00 -1.04 0.00 0.00 56.93 56.52 2rmx s PHE 31 Cb -0.22 -2.13 0.08 0.00 -1.21 0.00 0.00 43.02 39.54 2rmx s PHE 31 CO 0.01 0.11 0.65 -0.48 -1.34 0.00 0.00 175.22 174.18 2rmx s LEU 32 N -3.73 -0.85 0.14 -1.99 0.05 0.76 -1.52 118.68 111.55 2rmx s LEU 32 Ca 0.44 1.44 -0.17 0.00 0.05 0.00 0.00 54.13 55.89 2rmx s LEU 32 Cb -0.11 2.26 -0.07 0.00 -2.05 0.00 0.00 46.19 46.22 2rmx s LEU 32 CO 0.32 -0.23 0.60 -0.69 -0.55 0.00 0.00 176.35 175.79 2rmx s VAL 33 N 1.64 4.74 -0.21 1.48 1.01 -0.71 -2.38 120.40 125.97 2rmx s VAL 33 Ca -0.10 1.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 2rmx s VAL 33 Cb -0.06 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2rmx s VAL 33 CO -0.19 0.35 0.47 0.00 0.00 0.00 0.00 175.10 175.73 2rmx s ARG 34 N -1.65 0.42 0.99 2.72 1.70 -1.17 -2.59 118.95 119.38 2rmx s ARG 34 Ca 0.36 1.02 -0.18 0.00 -0.47 0.00 0.00 55.73 56.46 2rmx s ARG 34 Cb -0.17 0.24 -0.15 0.00 -0.57 0.00 0.00 34.95 34.29 2rmx s ARG 34 CO 0.20 -0.20 -0.86 -1.91 -1.08 0.00 0.00 175.30 171.45 2rmx n GLU 35 N 4.85 0.00 -3.42 3.89 2.13 -1.19 -3.15 120.64 123.75 2rmx n GLU 35 Ca -0.16 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.23 2rmx n GLU 35 Cb 0.53 -0.99 -0.08 0.00 0.27 0.00 0.00 31.44 31.17 2rmx n GLU 35 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2rmx s SER 36 N -0.99 6.07 0.07 4.31 0.15 -0.49 -4.69 113.70 118.13 2rmx s SER 36 Ca 0.39 -1.34 -0.37 0.00 0.70 0.00 0.00 55.95 55.34 2rmx s SER 36 Cb -0.16 -2.15 -0.19 0.00 -1.71 0.00 0.00 66.02 61.80 2rmx s SER 36 CO 0.81 -0.62 1.58 -0.07 1.20 0.00 0.00 173.24 176.14 2rmx h LEU 37 N 8.70 -1.16 0.00 3.45 3.38 -1.88 -3.28 115.31 124.52 2rmx h LEU 37 Ca -0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2rmx h LEU 37 Cb 1.11 0.33 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2rmx h LEU 37 CO 0.85 -0.74 0.00 -0.24 0.09 0.00 0.00 178.44 178.40 2rmx n SER 38 N -5.62 0.00 -4.62 -0.43 2.88 -1.26 -4.18 113.62 100.40 2rmx n SER 38 Ca -0.15 0.90 -0.40 0.00 -1.33 0.00 0.00 58.87 57.89 2rmx n SER 38 Cb 0.49 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 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 -2.60 4.07 -0.49 -1.46 -0.44 -1.24 -5.01 119.66 112.49 2rmx s GLN 39 Ca 0.00 0.36 -0.27 0.00 -2.50 0.00 0.00 55.36 52.95 2rmx s GLN 39 Cb 0.00 -3.65 -0.02 0.00 -1.64 0.00 0.00 33.01 27.70 2rmx s GLN 39 CO 0.00 -0.37 1.78 -1.25 0.50 0.00 0.00 175.29 175.96 2rmx s PRO 40 N 2.35 2.99 0.00 1.67 0.04 -1.26 -2.53 135.00 138.26 2rmx s PRO 40 Ca 0.22 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2rmx s PRO 40 Cb -0.16 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2rmx s PRO 40 CO 0.09 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.26 2rmx n GLY 41 N 5.53 0.91 3.76 0.56 0.00 -1.26 -5.11 105.19 109.57 2rmx n GLY 41 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.13 3.72 0.33 1.61 2.15 -1.05 -4.90 116.67 117.39 2rmx s ASP 42 Ca 0.00 1.27 0.03 0.00 0.43 0.00 0.00 52.55 54.28 2rmx s ASP 42 Cb 0.00 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.62 2rmx s ASP 42 CO 0.00 -2.46 0.09 -0.36 -0.17 0.00 0.00 175.17 172.28 2rmx s PHE 43 N -3.09 1.78 -0.03 -5.34 0.40 -1.10 -1.40 117.98 109.20 2rmx s PHE 43 Ca 0.63 -1.13 -0.07 0.00 -0.60 0.00 0.00 56.93 55.76 2rmx s PHE 43 Cb -0.16 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.26 2rmx s PHE 43 CO 0.55 -0.20 0.15 0.08 0.70 0.00 0.00 175.22 176.51 2rmx s VAL 44 N -3.42 0.05 -0.54 -0.44 1.01 -1.19 -0.16 120.40 115.71 2rmx s VAL 44 Ca 0.34 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2rmx s VAL 44 Cb 0.07 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 36.23 2rmx s VAL 44 CO 0.15 -0.21 0.29 -0.22 0.00 0.00 0.00 175.10 175.11 2rmx s LEU 45 N -0.74 4.49 0.08 3.92 2.96 -0.30 -3.04 118.68 126.05 2rmx s LEU 45 Ca -0.08 -2.98 -0.25 0.00 -0.22 0.00 0.00 54.13 50.60 2rmx s LEU 45 Cb -0.05 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 2rmx s LEU 45 CO 0.01 -0.26 0.76 -0.55 -1.32 0.00 0.00 176.35 175.00 2rmx s SER 46 N -0.11 7.27 0.00 3.68 0.15 -1.00 -3.50 113.70 120.18 2rmx s SER 46 Ca 0.17 1.51 -0.00 0.00 0.70 0.00 0.00 55.95 58.33 2rmx s SER 46 Cb -0.25 -2.48 -0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2rmx s SER 46 CO -0.01 0.08 -0.00 -0.69 1.20 0.00 0.00 173.24 173.83 2rmx s VAL 47 N -0.43 0.01 -0.70 4.45 1.01 -0.79 -0.17 120.40 123.78 2rmx s VAL 47 Ca 0.37 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 2rmx s VAL 47 Cb -0.21 -0.03 0.13 0.00 0.00 0.00 0.00 36.38 36.27 2rmx s VAL 47 CO 0.24 -0.03 0.78 -0.22 0.00 0.00 0.00 175.10 175.86 2rmx s LEU 48 N -0.10 5.67 0.50 3.92 2.96 -0.76 -0.13 118.68 130.74 2rmx s LEU 48 Ca -0.01 -1.83 -0.23 0.00 -0.22 0.00 0.00 54.13 51.83 2rmx s LEU 48 Cb -0.01 -2.29 -0.07 0.00 0.50 0.00 0.00 46.19 44.32 2rmx s LEU 48 CO -0.00 -0.98 1.36 -1.54 -1.32 0.00 0.00 176.35 173.87 2rmx n SER 49 N 5.80 2.84 0.00 3.68 3.41 -0.24 -0.45 113.62 128.66 2rmx n SER 49 Ca 0.01 1.04 0.06 0.00 -0.26 0.00 0.00 58.87 59.72 2rmx n SER 49 Cb 0.44 -1.57 0.34 0.00 -0.26 0.00 0.00 64.21 63.16 2rmx n SER 49 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2rmx n ASP 50 N -0.53 0.00 -4.60 4.04 5.75 -1.26 -3.88 116.55 116.07 2rmx n ASP 50 Ca 0.08 -0.09 -0.42 0.00 -0.01 0.00 0.00 54.79 54.35 2rmx n ASP 50 Cb 0.43 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2rmx s GLN 51 N -2.35 3.85 0.56 0.11 -0.21 -1.26 -4.98 119.66 115.38 2rmx s GLN 51 Ca 0.15 0.41 -0.19 0.00 0.02 0.00 0.00 55.36 55.75 2rmx s GLN 51 Cb 0.09 -3.77 -0.05 0.00 1.00 0.00 0.00 33.01 30.28 2rmx s GLN 51 CO 0.17 -0.74 1.13 -1.25 -2.12 0.00 0.00 175.29 172.48 2rmx s PRO 52 N 2.96 3.28 0.16 2.91 0.04 -1.26 -2.04 135.00 141.05 2rmx s PRO 52 Ca 0.31 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2rmx s PRO 52 Cb -0.14 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.43 2rmx s PRO 52 CO 0.14 -0.90 1.81 0.87 0.04 0.00 0.00 177.00 178.96 2rmx h LYS 53 N 1.04 0.50 0.00 4.56 1.57 -1.80 -3.40 116.57 119.03 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 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2rmx h LYS 53 CO 0.56 0.33 -1.00 0.00 -0.57 0.00 0.00 179.45 178.78 2rmx n ALA 54 N -2.22 2.90 0.00 3.86 0.00 -1.26 -5.08 120.51 118.70 2rmx n ALA 54 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2rmx n ALA 54 Cb 0.04 0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 3.04 -0.80 3.57 0.00 0.00 -1.26 -5.03 105.19 104.72 2rmx n GLY 55 Ca 0.00 -0.28 -0.28 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 -0.30 2.51 0.00 1.61 0.04 -1.26 -2.44 135.00 135.16 2rmx s PRO 56 Ca 0.00 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.13 2rmx s PRO 56 Cb 0.00 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2rmx s PRO 56 CO 0.00 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 173.64 2rmx n GLY 57 N 6.12 0.56 3.86 0.56 0.00 -1.26 -5.15 105.19 109.88 2rmx n GLY 57 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 6.63 -0.24 1.61 1.04 -1.02 -5.00 113.70 116.71 2rmx s SER 58 Ca 0.00 1.28 -0.29 0.00 0.48 0.00 0.00 55.95 57.42 2rmx s SER 58 Cb 0.00 -2.38 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 2rmx s SER 58 CO 0.00 -0.38 1.63 -2.16 0.98 0.00 0.00 173.24 173.31 2rmx s PRO 59 N -3.63 3.73 0.32 4.02 0.04 -1.26 -4.55 135.00 133.68 2rmx s PRO 59 Ca 0.54 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 2rmx s PRO 59 Cb -0.10 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.27 2rmx s PRO 59 CO 0.27 -1.37 0.01 1.28 0.04 0.00 0.00 177.00 177.22 2rmx n LEU 60 N 8.68 -2.29 -4.77 -3.56 4.77 -1.26 -4.00 117.00 114.56 2rmx n LEU 60 Ca 0.19 0.55 -0.37 0.00 -0.03 0.00 0.00 56.01 56.35 2rmx n LEU 60 Cb 0.46 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2rmx n LEU 60 CO 0.65 -3.21 0.82 -0.60 -1.33 0.00 0.00 177.39 173.73 2rmx s ARG 61 N -0.73 3.79 -0.26 3.23 6.06 -0.86 -4.69 118.95 125.49 2rmx s ARG 61 Ca 0.42 1.76 -0.03 0.00 -2.50 0.00 0.00 55.73 55.39 2rmx s ARG 61 Cb -0.43 -2.42 0.02 0.00 0.06 0.00 0.00 34.95 32.18 2rmx s ARG 61 CO 0.46 -0.52 -0.02 0.08 -2.50 0.00 0.00 175.30 172.80 2rmx s VAL 62 N -1.55 3.17 -0.21 7.11 1.01 -1.26 -1.08 120.40 127.59 2rmx s VAL 62 Ca 0.63 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 2rmx s VAL 62 Cb -0.28 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 2rmx s VAL 62 CO 0.34 0.17 0.78 -0.89 0.00 0.00 0.00 175.10 175.51 2rmx s THR 63 N 1.37 4.89 -0.39 3.92 2.01 0.82 -4.91 115.64 123.36 2rmx s THR 63 Ca 0.01 1.49 -0.08 0.00 0.31 0.00 0.00 61.69 63.42 2rmx s THR 63 Cb -0.17 -4.08 0.06 0.00 0.01 0.00 0.00 72.50 68.33 2rmx s THR 63 CO -0.03 -0.01 0.21 -1.00 -0.69 0.00 0.00 174.62 173.11 2rmx s HIS 64 N 2.46 3.32 -0.17 4.92 3.76 -1.26 -1.89 115.29 126.43 2rmx s HIS 64 Ca 0.34 -1.49 -0.01 0.00 -0.15 0.00 0.00 55.06 53.75 2rmx s HIS 64 Cb -0.16 -2.73 -0.01 0.00 1.11 0.00 0.00 32.58 30.79 2rmx s HIS 64 CO 0.09 -0.80 -0.11 0.42 -0.85 0.00 0.00 174.74 173.49 2rmx s ILE 65 N 1.42 3.00 0.16 0.60 1.01 -1.23 -5.01 121.20 121.15 2rmx s ILE 65 Ca 0.02 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2rmx s ILE 65 Cb -0.22 -2.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 2rmx s ILE 65 CO 0.02 0.49 1.01 -0.54 0.00 0.00 0.00 174.94 175.93 2rmx s LYS 66 N 0.86 4.69 -0.47 2.79 1.02 -1.26 -1.15 119.74 126.22 2rmx s LYS 66 Ca -0.03 1.56 -0.07 0.00 0.02 0.00 0.00 55.97 57.44 2rmx s LYS 66 Cb -0.15 -3.32 0.12 0.00 -0.52 0.00 0.00 37.83 33.96 2rmx s LYS 66 CO 0.00 0.22 0.33 0.08 -0.92 0.00 0.00 175.35 175.06 2rmx s VAL 67 N -0.33 4.00 0.59 3.17 1.01 0.78 -4.69 120.40 124.93 2rmx s VAL 67 Ca 0.47 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.34 2rmx s VAL 67 Cb -0.26 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2rmx s VAL 67 CO 0.32 -0.77 1.16 -0.04 0.00 0.00 0.00 175.10 175.78 2rmx s MET 68 N 1.21 3.04 -0.14 2.72 -1.94 -0.40 -2.72 119.30 121.06 2rmx s MET 68 Ca 0.07 1.67 -0.01 0.00 -1.71 0.00 0.00 55.69 55.71 2rmx s MET 68 Cb -0.25 -1.96 0.04 0.00 2.01 0.00 0.00 34.83 34.68 2rmx s MET 68 CO -0.02 -1.12 -0.03 0.00 -0.01 0.00 0.00 175.02 173.85 2rmx s GLU 70 N 1.76 2.22 0.00 0.00 2.02 -1.01 -4.73 118.70 118.96 2rmx s GLU 70 Ca 0.02 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.42 2rmx s GLU 70 Cb -0.15 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.60 2rmx s GLU 70 CO -0.07 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.71 2rmx n GLY 71 N 4.65 1.21 0.00 -1.39 0.00 -1.26 -3.31 105.19 105.09 2rmx n GLY 71 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.08 3.88 -0.02 0.00 -1.26 -5.15 105.19 102.72 2rmx n GLY 72 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.81 0.00 1.61 0.52 -1.21 -4.79 118.95 117.89 2rmx s ARG 73 Ca 0.00 0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 2rmx s ARG 73 Cb 0.00 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 2rmx s ARG 73 CO 0.00 -1.07 -0.23 0.71 0.02 0.00 0.00 175.30 174.73 2rmx s TYR 74 N -3.37 2.43 0.06 -0.53 2.02 -0.36 -2.39 117.35 115.21 2rmx s TYR 74 Ca 0.58 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.83 2rmx s TYR 74 Cb -0.11 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2rmx s TYR 74 CO 0.52 0.09 0.22 -0.08 -1.57 0.00 0.00 175.55 174.73 2rmx s THR 75 N -0.73 0.11 -0.55 -0.71 -1.32 -0.46 -1.33 115.64 110.65 2rmx s THR 75 Ca 0.11 -0.92 0.04 0.00 -1.21 0.00 0.00 61.69 59.71 2rmx s THR 75 Cb -0.10 -1.05 0.14 0.00 -1.51 0.00 0.00 72.50 69.97 2rmx s THR 75 CO 0.01 -0.51 0.31 0.68 -2.21 0.00 0.00 174.62 172.91 2rmx s VAL 76 N -3.00 2.49 -1.10 5.08 -7.23 -1.26 -1.27 120.40 114.11 2rmx s VAL 76 Ca -0.02 -3.46 0.00 0.00 -1.81 0.00 0.00 61.98 56.70 2rmx s VAL 76 Cb 0.01 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2rmx s VAL 76 CO -0.06 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2rmx n GLY 77 N 2.88 0.47 3.30 2.32 0.00 -1.26 -4.91 105.19 108.00 2rmx n GLY 77 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.98 1.28 0.37 -0.02 0.00 -1.26 -5.02 107.32 100.69 2rmx s GLY 78 Ca 0.00 -1.55 0.28 0.00 0.00 0.00 0.00 44.72 43.44 2rmx s GLY 78 CO 0.00 -1.64 1.81 1.41 0.00 0.00 0.00 173.10 174.68 2rmx h LEU 79 N 2.80 0.00-10.30 0.66 3.38 -2.01 -3.45 115.31 106.39 2rmx h LEU 79 Ca -0.38 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.19 2rmx h LEU 79 Cb 1.21 0.00 0.20 0.00 0.09 0.00 0.00 40.66 42.16 2rmx h LEU 79 CO 0.60 0.00 0.06 -1.61 0.09 0.00 0.00 178.44 177.58 2rmx s GLU 80 N -3.41 -1.88 0.12 1.13 2.02 -1.26 -5.09 118.70 110.33 2rmx s GLU 80 Ca 0.04 -0.08 -0.25 0.00 0.02 0.00 0.00 54.97 54.70 2rmx s GLU 80 Cb 0.09 -1.52 0.07 0.00 0.10 0.00 0.00 34.13 32.87 2rmx s GLU 80 CO 0.49 -4.14 0.62 0.95 0.02 0.00 0.00 175.26 173.20 2rmx s THR 81 N -2.81 0.00 0.01 3.63 -4.23 -1.26 -4.68 115.64 106.30 2rmx s THR 81 Ca 0.71 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 2rmx s THR 81 Cb -0.09 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 2rmx s THR 81 CO 0.56 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.25 2rmx s PHE 82 N -3.26 0.27 0.18 3.99 0.40 -0.44 -4.92 117.98 114.19 2rmx s PHE 82 Ca -0.01 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 2rmx s PHE 82 Cb -0.01 -0.18 0.12 0.00 0.51 0.00 0.00 43.02 43.46 2rmx s PHE 82 CO -0.09 -0.09 1.63 0.22 0.70 0.00 0.00 175.22 177.59 2rmx h ASP 83 N 5.28 -0.73 -5.09 1.36 3.58 -1.91 -0.94 116.42 117.97 2rmx h ASP 83 Ca -0.30 0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 2rmx h ASP 83 Cb 1.21 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 42.64 2rmx h ASP 83 CO 0.45 -0.24 0.20 -0.44 -2.88 0.00 0.00 179.24 176.33 2rmx s SER 84 N -5.14 0.18 0.47 2.28 0.01 -1.26 -4.50 113.70 105.73 2rmx s SER 84 Ca -0.14 -1.23 0.28 0.00 1.31 0.00 0.00 55.95 56.17 2rmx s SER 84 Cb 0.15 0.83 1.35 0.00 0.21 0.00 0.00 66.02 68.56 2rmx s SER 84 CO 0.70 -1.65 1.77 -0.07 0.41 0.00 0.00 173.24 174.40 2rmx h LEU 85 N 2.01 0.22 0.38 2.44 -0.00 -1.96 0.86 115.31 119.26 2rmx h LEU 85 Ca -0.32 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 2rmx h LEU 85 Cb 1.25 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2rmx h LEU 85 CO 0.41 0.02 -0.18 0.74 -0.00 0.00 0.00 178.44 179.42 2rmx h THR 86 N 0.18 0.60 -0.63 0.22 2.02 -1.98 0.29 112.91 113.61 2rmx h THR 86 Ca 0.61 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 2rmx h THR 86 Cb 1.99 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 2rmx h THR 86 CO -0.18 0.08 0.30 -0.78 0.37 0.00 0.00 175.52 175.31 2rmx h ASP 87 N -0.77 0.81 0.21 4.18 1.82 -1.45 -0.54 116.42 120.67 2rmx h ASP 87 Ca -0.05 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 2rmx h ASP 87 Cb 0.52 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2rmx h ASP 87 CO 0.09 0.70 -0.10 0.25 -1.61 0.00 0.00 179.24 178.56 2rmx h LEU 88 N 0.90 -0.23 -0.21 2.28 6.46 -0.86 -2.73 115.31 120.91 2rmx h LEU 88 Ca 0.22 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2rmx h LEU 88 Cb 0.11 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 2rmx h LEU 88 CO -0.03 -0.05 -0.45 0.58 -0.62 0.00 0.00 178.44 177.86 2rmx h VAL 89 N -0.50 0.10 -0.62 1.05 2.07 -0.46 -1.29 116.25 116.60 2rmx h VAL 89 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 2rmx h VAL 89 Cb 0.21 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 2rmx h VAL 89 CO 0.05 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.91 2rmx h GLU 90 N -0.47 -0.18 -0.03 1.57 5.08 -1.23 1.32 114.58 120.64 2rmx h GLU 90 Ca 0.08 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2rmx h GLU 90 Cb 0.63 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2rmx h GLU 90 CO -0.46 -0.12 0.11 1.25 -1.00 0.00 0.00 179.01 178.79 2rmx h HIS 91 N -0.18 0.00 0.00 4.33 2.76 -1.05 0.40 115.15 121.40 2rmx h HIS 91 Ca 0.21 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.24 2rmx h HIS 91 Cb 0.56 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2rmx h HIS 91 CO -0.70 0.00 -1.63 1.19 -1.30 0.00 0.00 177.93 175.50 2rmx n PHE 92 N -3.25 0.64 0.31 5.26 3.72 0.38 -3.02 117.46 121.48 2rmx n PHE 92 Ca -0.02 0.21 0.16 0.00 -0.05 0.00 0.00 57.45 57.75 2rmx n PHE 92 Cb 0.18 -0.94 0.73 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.30 0.43 116.57 117.79 2rmx h LYS 93 Ca -0.17 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.35 2rmx h LYS 93 Cb 1.50 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.76 2rmx h LYS 93 CO 0.03 0.00 -1.99 0.36 -0.57 0.00 0.00 179.45 177.28 2rmx n LYS 94 N -2.74 0.82 -0.07 3.15 2.85 -1.16 -4.65 118.16 116.36 2rmx n LYS 94 Ca -0.00 0.07 -0.05 0.00 -1.05 0.00 0.00 58.31 57.28 2rmx n LYS 94 Cb 0.20 -1.35 -0.02 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 -2.87 1.42 0.00 0.58 -2.24 -1.16 -5.12 114.28 104.89 2rmx n THR 95 Ca -0.29 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2rmx n THR 95 Cb 0.87 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 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 1.62 2.47 3.89 3.38 0.00 0.15 -5.04 105.19 111.65 2rmx n GLY 96 Ca -0.07 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.59 5.39 -0.30 -0.61 1.01 -1.14 -4.96 121.20 118.01 2rmx s ILE 97 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 2rmx s ILE 97 Cb 0.00 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.99 2rmx s ILE 97 CO 0.00 0.42 0.01 -0.70 0.00 0.00 0.00 174.94 174.68 2rmx s GLU 98 N -1.61 2.59 0.19 2.79 2.12 -1.26 -1.56 118.70 121.96 2rmx s GLU 98 Ca 0.24 -1.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 2rmx s GLU 98 Cb -0.13 -3.20 -0.08 0.00 0.26 0.00 0.00 34.13 30.98 2rmx s GLU 98 CO 0.14 -0.57 0.99 -1.21 -0.54 0.00 0.00 175.26 174.07 2rmx s GLU 99 N 1.31 4.73 0.20 4.30 2.02 1.00 -4.93 118.70 127.33 2rmx s GLU 99 Ca -0.03 1.55 -0.20 0.00 0.02 0.00 0.00 54.97 56.31 2rmx s GLU 99 Cb -0.19 -3.30 0.14 0.00 0.10 0.00 0.00 34.13 30.88 2rmx s GLU 99 CO -0.01 0.30 1.45 0.00 0.02 0.00 0.00 175.26 177.02 2rmx n ALA 100 N 2.05 -0.26 -0.32 5.21 0.00 -1.26 0.11 120.51 126.04 2rmx n ALA 100 Ca 0.00 0.89 0.31 0.00 0.00 0.00 0.00 53.44 54.64 2rmx n ALA 100 Cb 0.47 -0.33 0.57 0.00 0.00 0.00 0.00 19.45 20.16 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 0.36 0.00 0.00 4.64 -2.05 -3.43 113.55 113.07 2rmx h SER 101 Ca 0.27 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2rmx h SER 101 Cb 0.51 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2rmx h SER 101 CO -0.91 -0.38 0.00 0.61 -0.87 0.00 0.00 176.83 175.28 2rmx n GLY 102 N -1.27 1.36 3.95 -0.77 0.00 0.30 -5.15 105.19 103.62 2rmx n GLY 102 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.36 3.94 -0.28 4.61 0.00 -1.13 -4.89 121.76 122.63 2rmx s ALA 103 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2rmx s ALA 103 Cb 0.00 -1.80 0.08 0.00 0.00 0.00 0.00 23.12 21.41 2rmx s ALA 103 CO 0.00 0.42 0.04 -0.06 0.00 0.00 0.00 175.76 176.16 2rmx s PHE 104 N -1.84 2.30 0.19 0.00 0.40 -1.26 -0.00 117.98 117.77 2rmx s PHE 104 Ca 0.35 -1.95 -0.30 0.00 -0.60 0.00 0.00 56.93 54.43 2rmx s PHE 104 Cb -0.10 -1.88 -0.08 0.00 0.51 0.00 0.00 43.02 41.46 2rmx s PHE 104 CO 0.29 -0.84 1.07 0.08 0.70 0.00 0.00 175.22 176.52 2rmx s VAL 105 N 1.42 3.91 -0.14 -0.44 1.01 -0.60 -4.92 120.40 120.63 2rmx s VAL 105 Ca 0.05 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.73 2rmx s VAL 105 Cb -0.18 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2rmx s VAL 105 CO -0.14 0.31 -0.18 -0.31 0.00 0.00 0.00 175.10 174.78 2rmx s TYR 106 N -0.41 2.73 -1.06 5.22 2.02 -1.26 -2.88 117.35 121.71 2rmx s TYR 106 Ca 0.48 -1.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 2rmx s TYR 106 Cb -0.29 -1.85 0.28 0.00 -0.40 0.00 0.00 41.96 39.71 2rmx s TYR 106 CO 0.35 -0.49 1.21 1.28 -1.57 0.00 0.00 175.55 176.32 2rmx n LEU 107 N 3.98 5.65 0.12 -1.29 4.32 -1.26 -4.22 117.00 124.30 2rmx n LEU 107 Ca -0.19 -5.14 -0.09 0.00 -0.02 0.00 0.00 56.01 50.57 2rmx n LEU 107 Cb 0.52 -1.32 -0.06 0.00 -1.62 0.00 0.00 43.42 40.94 2rmx n LEU 107 CO 0.28 1.54 0.30 0.03 -1.22 0.00 0.00 177.39 178.33 2rmx h ARG 108 N 5.99 -0.38 -4.65 3.23 2.47 -1.77 -3.42 114.38 115.86 2rmx h ARG 108 Ca 0.19 0.03 -0.36 0.00 -1.26 0.00 0.00 59.98 58.57 2rmx h ARG 108 Cb 0.76 0.09 -0.27 0.00 -1.65 0.00 0.00 29.97 28.89 2rmx h ARG 108 CO 1.11 -0.09 -0.77 1.14 0.56 0.00 0.00 179.97 181.93 2rmx s GLN 109 N -3.40 0.63 0.00 0.04 0.00 -1.07 -5.06 119.66 110.80 2rmx s GLN 109 Ca -0.10 -0.41 0.00 0.00 -0.00 0.00 0.00 55.36 54.85 2rmx s GLN 109 Cb 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 33.01 32.44 2rmx s GLN 109 CO 0.35 0.15 0.00 -0.35 0.00 0.00 0.00 175.29 175.44 2rmx n PRO 110 N 2.54 0.25 -3.62 9.60 -0.04 -1.26 -2.28 135.00 140.20 2rmx n PRO 110 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.11 2rmx n PRO 110 Cb 0.57 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.37 -0.09 -0.21 0.54 5.04 -0.58 -4.48 117.35 117.20 2rmx s TYR 111 Ca 0.00 0.28 -0.17 0.00 -2.44 0.00 0.00 57.07 54.74 2rmx s TYR 111 Cb 0.00 -0.41 -0.13 0.00 0.35 0.00 0.00 41.96 41.77 2rmx s TYR 111 CO 0.00 -0.39 -0.07 0.66 -1.34 0.00 0.00 175.55 174.41 2rmx n TYR 112 N 5.31 0.61 -3.62 4.97 4.01 -1.26 -4.86 117.16 122.32 2rmx n TYR 112 Ca -0.05 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2rmx n TYR 112 Cb 0.50 -0.95 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 2rmx n TYR 112 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2rmx s SER 113 N -6.74 -0.08 -0.03 7.72 1.04 -1.26 -5.06 113.70 109.29 2rmx s SER 113 Ca -0.29 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2rmx s SER 113 Cb 0.08 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2rmx s SER 113 CO 0.48 -0.34 0.11 -0.83 0.98 0.00 0.00 173.24 173.64 2rmx s GLY 114 N -2.83 2.06 0.11 7.32 0.00 -1.26 -5.08 107.32 107.64 2rmx s GLY 114 Ca 0.13 -0.81 -0.31 0.00 0.00 0.00 0.00 44.72 43.73 2rmx s GLY 114 CO -0.04 -0.67 1.37 2.56 0.00 0.00 0.00 173.10 176.32 2rmx s PRO 115 N -1.64 4.33 -0.83 2.90 0.04 -1.26 -4.86 135.00 133.68 2rmx s PRO 115 Ca 0.22 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 2rmx s PRO 115 Cb -0.12 -3.26 -0.20 0.00 0.04 0.00 0.00 34.50 30.96 2rmx s PRO 115 CO 0.13 -0.41 2.21 0.45 0.04 0.00 0.00 177.00 179.42 2rmx n SER 116 N 3.94 0.62 -3.74 6.66 2.88 -1.26 -1.98 113.62 120.73 2rmx n SER 116 Ca 0.11 -1.37 -0.28 0.00 -1.33 0.00 0.00 58.87 56.00 2rmx n SER 116 Cb 0.43 -1.30 0.04 0.00 -0.75 0.00 0.00 64.21 62.62 2rmx n SER 116 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rmx n SER 117 N 14.48 -5.25 0.00 -3.46 7.64 -1.26 -5.35 113.62 120.42 2rmx n SER 117 Ca 0.49 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2rmx n SER 117 Cb 0.36 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2rmx n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64