#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 2.53 -0.10 1.61 0.01 -1.26 -5.07 113.70 111.42 2rmx s SER 2 Ca 0.00 1.37 -0.06 0.00 1.31 0.00 0.00 55.95 58.56 2rmx s SER 2 Cb 0.00 -2.05 0.04 0.00 0.21 0.00 0.00 66.02 64.22 2rmx s SER 2 CO 0.00 -3.22 0.24 -0.94 0.41 0.00 0.00 173.24 169.73 2rmx s SER 3 N -3.24 -0.26 0.00 2.44 1.04 -1.26 -5.12 113.70 107.31 2rmx s SER 3 Ca 0.65 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.59 2rmx s SER 3 Cb -0.20 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2rmx s SER 3 CO 0.59 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.29 2rmx n GLY 4 N 3.72 -1.82 3.64 7.32 0.00 -1.26 -5.03 105.19 111.76 2rmx n GLY 4 Ca -0.20 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 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 -4.00 -0.55 -0.05 1.61 1.04 -1.26 -5.17 113.70 105.32 2rmx s SER 5 Ca 0.00 0.97 0.05 0.00 0.48 0.00 0.00 55.95 57.44 2rmx s SER 5 Cb 0.00 1.10 -0.02 0.00 0.10 0.00 0.00 66.02 67.20 2rmx s SER 5 CO 0.00 -0.16 -0.19 -0.94 0.98 0.00 0.00 173.24 172.93 2rmx s SER 6 N 0.83 3.59 0.00 7.02 1.04 -1.26 -5.13 113.70 119.79 2rmx s SER 6 Ca -0.03 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2rmx s SER 6 Cb -0.04 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2rmx s SER 6 CO -0.11 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2rmx n GLY 7 N 2.58 0.90 0.34 7.32 0.00 -1.26 -4.97 105.19 110.10 2rmx n GLY 7 Ca -0.17 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 0.30 -3.27 1.61 -0.00 -1.26 -4.68 117.44 110.15 2rmx n TRP 8 Ca 0.00 -0.90 -0.39 0.00 -0.00 0.00 0.00 57.50 56.21 2rmx n TRP 8 Cb 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 31.31 31.06 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 -2.61 3.37 -0.17 -2.67 5.04 -1.26 -1.36 117.35 117.69 2rmx s TYR 9 Ca 0.32 0.75 -0.14 0.00 -2.44 0.00 0.00 57.07 55.56 2rmx s TYR 9 Cb 0.27 -2.65 -0.07 0.00 0.35 0.00 0.00 41.96 39.86 2rmx s TYR 9 CO 0.05 -0.09 -0.30 0.72 -1.34 0.00 0.00 175.55 174.59 2rmx n HIS 10 N 4.74 0.00 0.00 4.97 8.25 -0.86 -5.01 115.22 127.31 2rmx n HIS 10 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2rmx n HIS 10 Cb 0.50 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 1.67 0.72 3.52 -1.41 0.00 -1.26 -4.95 105.19 103.48 2rmx n GLY 11 Ca -0.25 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 2rmx n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rmx n HIS 12 N 0.00 1.10 -3.63 1.61 -0.00 -1.26 -3.22 115.22 109.81 2rmx n HIS 12 Ca 0.00 0.25 -0.12 0.00 0.46 0.00 0.00 57.72 58.31 2rmx n HIS 12 Cb 0.00 -2.52 -0.07 0.00 -0.12 0.00 0.00 29.99 27.28 2rmx n HIS 12 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2rmx s MET 13 N 8.32 0.68 0.46 1.57 0.00 -1.26 -5.05 119.30 124.02 2rmx s MET 13 Ca 1.15 0.81 0.08 0.00 0.00 0.00 0.00 55.69 57.73 2rmx s MET 13 Cb -0.70 0.33 0.01 0.00 0.00 0.00 0.00 34.83 34.47 2rmx s MET 13 CO 0.38 -0.08 0.50 -1.54 0.00 0.00 0.00 175.02 174.29 2rmx s SER 14 N 0.33 5.18 0.06 1.11 1.04 -1.26 -4.76 113.70 115.40 2rmx s SER 14 Ca 0.01 -0.73 -0.32 0.00 0.48 0.00 0.00 55.95 55.39 2rmx s SER 14 Cb -0.05 -0.33 -0.17 0.00 0.10 0.00 0.00 66.02 65.57 2rmx s SER 14 CO -0.03 -0.85 1.49 1.23 0.98 0.00 0.00 173.24 176.06 2rmx h GLY 15 N 0.74 -1.22 -0.56 7.32 0.00 -1.99 -1.27 103.07 106.09 2rmx h GLY 15 Ca -0.38 0.51 0.27 0.00 0.00 0.00 0.00 47.33 47.72 2rmx h GLY 15 CO 0.51 -0.40 0.28 -1.33 0.00 0.00 0.00 176.54 175.60 2rmx h GLY 16 N -1.03 1.52 0.47 4.60 0.00 -2.00 -1.86 103.07 104.77 2rmx h GLY 16 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2rmx h GLY 16 CO 0.06 -0.44 -0.23 -1.61 0.00 0.00 0.00 176.54 174.33 2rmx h GLN 17 N 0.19 -0.61 -0.87 4.80 5.75 -1.91 -3.03 115.11 119.42 2rmx h GLN 17 Ca 0.61 0.04 0.29 0.00 -0.15 0.00 0.00 58.65 59.44 2rmx h GLN 17 Cb 1.29 0.14 -0.16 0.00 1.07 0.00 0.00 27.48 29.82 2rmx h GLN 17 CO -0.69 -0.41 0.20 0.00 -2.65 0.00 0.00 178.83 175.28 2rmx n ALA 18 N -2.41 0.62 -0.17 3.38 0.00 -0.50 0.16 120.51 121.60 2rmx n ALA 18 Ca -0.08 0.92 -0.04 0.00 0.00 0.00 0.00 53.44 54.24 2rmx n ALA 18 Cb 0.25 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 0.47 0.42 0.00 5.08 -1.30 0.15 114.58 119.41 2rmx h GLU 19 Ca 0.61 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.92 2rmx h GLU 19 Cb 1.44 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2rmx h GLU 19 CO -0.76 0.31 -0.20 1.15 -1.00 0.00 0.00 179.01 178.51 2rmx h THR 20 N 0.49 0.56 -0.91 1.13 2.02 0.16 0.42 112.91 116.79 2rmx h THR 20 Ca 0.23 -0.32 0.16 0.00 0.77 0.00 0.00 66.41 67.25 2rmx h THR 20 Cb 0.15 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 2rmx h THR 20 CO -0.17 0.06 0.58 -0.07 0.37 0.00 0.00 175.52 176.29 2rmx h LEU 21 N -0.76 0.64 0.06 2.58 4.07 -1.14 0.21 115.31 120.97 2rmx h LEU 21 Ca -0.06 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2rmx h LEU 21 Cb 0.53 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2rmx h LEU 21 CO 0.09 0.31 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.67 2rmx h LEU 22 N 0.67 -0.06 -0.86 1.67 3.38 -0.79 -3.18 115.31 116.13 2rmx h LEU 22 Ca 0.46 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.65 2rmx h LEU 22 Cb 0.79 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 2rmx h LEU 22 CO -0.22 0.11 0.08 1.56 0.09 0.00 0.00 178.44 180.05 2rmx h GLN 23 N -0.37 0.11 -0.95 1.13 4.20 -0.07 0.50 115.11 119.65 2rmx h GLN 23 Ca -0.01 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.84 2rmx h GLN 23 Cb 0.06 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 2rmx h GLN 23 CO 0.01 0.07 0.56 0.00 -0.67 0.00 0.00 178.83 178.80 2rmx h ALA 24 N 1.81 1.47 -0.98 3.87 0.00 -0.72 -0.38 119.26 124.33 2rmx h ALA 24 Ca 0.50 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.51 2rmx h ALA 24 Cb 0.98 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2rmx h ALA 24 CO -0.73 0.06 0.64 -0.22 0.00 0.00 0.00 179.25 178.99 2rmx h LYS 25 N 0.82 1.20 -0.22 0.00 1.63 0.03 -3.46 116.57 116.56 2rmx h LYS 25 Ca 0.50 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 60.13 2rmx h LYS 25 Cb 0.63 -0.27 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 2rmx h LYS 25 CO -0.32 0.79 -0.09 0.41 -3.45 0.00 0.00 179.45 176.80 2rmx n GLY 26 N -1.36 0.68 3.59 5.01 0.00 -0.15 -4.99 105.19 107.97 2rmx n GLY 26 Ca 0.13 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.84 3.95 0.44 1.61 0.41 -1.26 -5.03 118.70 116.98 2rmx s GLU 27 Ca 0.00 -0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 54.00 2rmx s GLU 27 Cb 0.00 -3.59 -0.08 0.00 -1.78 0.00 0.00 34.13 28.68 2rmx s GLU 27 CO 0.00 -0.12 1.17 -1.25 -0.49 0.00 0.00 175.26 174.57 2rmx s PRO 28 N 1.56 3.83 -1.03 0.39 0.04 -1.26 -3.38 135.00 135.15 2rmx s PRO 28 Ca 0.07 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 2rmx s PRO 28 Cb -0.15 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2rmx s PRO 28 CO 0.09 -0.50 0.35 0.91 0.04 0.00 0.00 177.00 177.89 2rmx n TRP 29 N -0.33 -1.21 -3.22 0.56 5.03 0.14 -4.81 117.44 113.60 2rmx n TRP 29 Ca 0.06 0.30 -0.46 0.00 3.03 0.00 0.00 57.50 60.44 2rmx n TRP 29 Cb 0.47 -3.25 -0.04 0.00 -1.03 0.00 0.00 31.31 27.47 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 -2.92 5.11 0.36 -0.99 2.01 -1.22 -2.19 115.64 115.80 2rmx s THR 30 Ca 0.17 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.60 2rmx s THR 30 Cb -0.08 -4.44 -0.06 0.00 0.01 0.00 0.00 72.50 67.93 2rmx s THR 30 CO 0.22 -1.03 0.68 0.72 -0.69 0.00 0.00 174.62 174.52 2rmx s PHE 31 N 1.81 3.47 -0.21 4.92 -0.71 -1.11 -1.87 117.98 124.29 2rmx s PHE 31 Ca 0.10 0.88 -0.14 0.00 -1.04 0.00 0.00 56.93 56.73 2rmx s PHE 31 Cb -0.23 -2.30 0.06 0.00 -1.21 0.00 0.00 43.02 39.34 2rmx s PHE 31 CO 0.01 0.01 0.53 -0.48 -1.34 0.00 0.00 175.22 173.95 2rmx s LEU 32 N -3.72 -0.29 0.07 -1.99 0.05 0.72 -2.33 118.68 111.20 2rmx s LEU 32 Ca 0.48 1.12 -0.07 0.00 0.05 0.00 0.00 54.13 55.71 2rmx s LEU 32 Cb -0.10 1.79 -0.05 0.00 -2.05 0.00 0.00 46.19 45.77 2rmx s LEU 32 CO 0.31 -0.20 0.34 -0.69 -0.55 0.00 0.00 176.35 175.55 2rmx s VAL 33 N 1.03 5.20 -0.23 1.48 1.01 -0.46 -1.65 120.40 126.78 2rmx s VAL 33 Ca -0.06 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 2rmx s VAL 33 Cb -0.06 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2rmx s VAL 33 CO -0.09 0.24 0.82 0.00 0.00 0.00 0.00 175.10 176.06 2rmx s ARG 34 N -2.08 0.77 0.37 2.72 1.70 -0.99 -2.02 118.95 119.42 2rmx s ARG 34 Ca 0.33 0.69 -0.19 0.00 -0.47 0.00 0.00 55.73 56.10 2rmx s ARG 34 Cb -0.13 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.52 2rmx s ARG 34 CO 0.20 -0.14 0.85 -1.83 -1.08 0.00 0.00 175.30 173.30 2rmx s GLU 35 N -0.06 4.16 1.24 3.89 4.04 -1.20 -1.64 118.70 129.13 2rmx s GLU 35 Ca -0.01 0.94 -0.20 0.00 0.04 0.00 0.00 54.97 55.73 2rmx s GLU 35 Cb -0.04 -2.35 0.30 0.00 0.02 0.00 0.00 34.13 32.07 2rmx s GLU 35 CO 0.01 0.08 1.09 -1.12 -1.84 0.00 0.00 175.26 173.48 2rmx s SER 36 N -2.16 0.55 -0.14 0.83 0.01 -0.98 -4.27 113.70 107.54 2rmx s SER 36 Ca 0.57 0.62 -0.03 0.00 1.31 0.00 0.00 55.95 58.43 2rmx s SER 36 Cb -0.10 -0.85 -0.08 0.00 0.21 0.00 0.00 66.02 65.20 2rmx s SER 36 CO 0.16 -4.35 -0.15 0.18 0.41 0.00 0.00 173.24 169.48 2rmx n LEU 37 N -4.91 2.02 0.12 2.44 4.32 -1.26 -4.79 117.00 114.93 2rmx n LEU 37 Ca 0.14 0.05 -0.05 0.00 -0.02 0.00 0.00 56.01 56.13 2rmx n LEU 37 Cb 0.60 -0.45 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 2rmx n LEU 37 CO 0.44 0.52 0.24 -1.28 -1.22 0.00 0.00 177.39 176.09 2rmx h SER 38 N -0.26 -0.28 -3.37 -1.43 0.87 -1.97 -3.41 113.55 103.70 2rmx h SER 38 Ca -0.34 0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.57 2rmx h SER 38 Cb 1.40 0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 63.27 2rmx h SER 38 CO -0.14 -0.06 0.18 -1.58 -0.53 0.00 0.00 176.83 174.71 2rmx s GLN 39 N -2.80 3.22 0.00 2.24 2.00 -1.26 -4.90 119.66 118.16 2rmx s GLN 39 Ca -0.05 -0.57 0.11 0.00 -2.00 0.00 0.00 55.36 52.85 2rmx s GLN 39 Cb 0.00 -4.03 0.64 0.00 0.80 0.00 0.00 33.01 30.42 2rmx s GLN 39 CO 0.15 -1.20 1.08 -0.35 -0.50 0.00 0.00 175.29 174.46 2rmx n PRO 40 N 6.47 0.49 -0.02 1.67 -0.04 -1.26 -2.01 135.00 140.30 2rmx n PRO 40 Ca -0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 2rmx n PRO 40 Cb 0.47 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.04 3.42 0.55 0.00 -1.26 -4.99 105.19 102.85 2rmx n GLY 41 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.70 3.52 0.47 1.61 1.01 -0.85 -4.51 116.67 117.22 2rmx s ASP 42 Ca 0.10 -0.61 0.02 0.00 0.71 0.00 0.00 52.55 52.77 2rmx s ASP 42 Cb 0.07 -0.38 -0.02 0.00 1.01 0.00 0.00 42.92 43.59 2rmx s ASP 42 CO 0.10 0.21 0.04 -0.36 0.21 0.00 0.00 175.17 175.36 2rmx s PHE 43 N -1.01 1.91 -0.00 4.23 0.40 -0.67 -2.31 117.98 120.53 2rmx s PHE 43 Ca 0.15 -1.01 -0.15 0.00 -0.60 0.00 0.00 56.93 55.31 2rmx s PHE 43 Cb -0.10 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.95 2rmx s PHE 43 CO 0.06 0.11 0.31 0.08 0.70 0.00 0.00 175.22 176.48 2rmx s VAL 44 N -2.96 0.06 -0.13 -0.44 1.01 -0.65 0.62 120.40 117.90 2rmx s VAL 44 Ca 0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2rmx s VAL 44 Cb 0.03 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.77 2rmx s VAL 44 CO 0.08 -0.28 -0.11 -0.22 0.00 0.00 0.00 175.10 174.58 2rmx s LEU 45 N -1.44 1.45 -0.05 3.92 2.96 0.12 -2.35 118.68 123.28 2rmx s LEU 45 Ca -0.12 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2rmx s LEU 45 Cb -0.04 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2rmx s LEU 45 CO 0.03 -0.09 0.03 -0.44 -1.32 0.00 0.00 176.35 174.56 2rmx s SER 46 N 1.60 5.42 -0.01 3.68 0.01 -0.66 -0.61 113.70 123.13 2rmx s SER 46 Ca 0.05 0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.45 2rmx s SER 46 Cb -0.13 -1.53 0.02 0.00 0.21 0.00 0.00 66.02 64.59 2rmx s SER 46 CO -0.09 0.34 0.02 -0.69 0.41 0.00 0.00 173.24 173.23 2rmx s VAL 47 N -1.01 -0.04 -0.75 3.43 1.01 -0.64 -0.20 120.40 122.19 2rmx s VAL 47 Ca 0.17 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 2rmx s VAL 47 Cb -0.12 -0.06 0.10 0.00 0.00 0.00 0.00 36.38 36.30 2rmx s VAL 47 CO 0.07 0.06 0.98 -0.22 0.00 0.00 0.00 175.10 175.98 2rmx s LEU 48 N 0.68 4.85 0.81 3.92 2.96 -0.78 -0.56 118.68 130.56 2rmx s LEU 48 Ca -0.06 -1.49 -0.13 0.00 -0.22 0.00 0.00 54.13 52.23 2rmx s LEU 48 Cb -0.08 -2.39 0.08 0.00 0.50 0.00 0.00 46.19 44.30 2rmx s LEU 48 CO -0.02 -1.23 1.19 -0.94 -1.32 0.00 0.00 176.35 174.03 2rmx s SER 49 N 3.63 3.63 0.00 3.68 1.04 -0.33 0.27 113.70 125.63 2rmx s SER 49 Ca 0.24 2.32 0.24 0.00 0.48 0.00 0.00 55.95 59.22 2rmx s SER 49 Cb -0.13 -2.58 1.41 0.00 0.10 0.00 0.00 66.02 64.81 2rmx s SER 49 CO 0.02 -2.64 1.86 -0.67 0.98 0.00 0.00 173.24 172.79 2rmx n ASP 50 N -3.34 0.00 -4.58 7.02 2.03 -1.26 -4.02 116.55 112.40 2rmx n ASP 50 Ca 0.13 -1.12 -0.42 0.00 0.52 0.00 0.00 54.79 53.90 2rmx n ASP 50 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 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 3.71 0.44 -0.67 -0.21 -1.26 -4.98 119.66 114.69 2rmx s GLN 51 Ca 0.35 0.10 -0.24 0.00 0.02 0.00 0.00 55.36 55.60 2rmx s GLN 51 Cb 0.16 -3.80 -0.08 0.00 1.00 0.00 0.00 33.01 30.30 2rmx s GLN 51 CO 0.27 -0.72 1.17 -1.25 -2.12 0.00 0.00 175.29 172.65 2rmx s PRO 52 N 2.72 3.86 0.17 2.91 0.04 -1.26 -1.40 135.00 142.03 2rmx s PRO 52 Ca 0.25 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 2rmx s PRO 52 Cb -0.14 -2.51 0.11 0.00 0.04 0.00 0.00 34.50 32.00 2rmx s PRO 52 CO 0.14 -0.48 1.75 0.87 0.04 0.00 0.00 177.00 179.33 2rmx h LYS 53 N 2.26 0.32 0.00 4.56 1.57 -1.80 -3.40 116.57 120.08 2rmx h LYS 53 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2rmx h LYS 53 Cb 1.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2rmx h LYS 53 CO 0.61 0.21 -0.09 0.00 -0.57 0.00 0.00 179.45 179.62 2rmx n ALA 54 N -2.37 2.81 -2.84 3.86 0.00 -1.26 -5.08 120.51 115.63 2rmx n ALA 54 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2rmx n ALA 54 Cb 0.15 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 3.32 2.24 3.57 0.00 0.00 -1.26 -5.03 105.19 108.03 2rmx n GLY 55 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 2.91 2.52 0.00 1.61 0.04 -1.26 -2.41 135.00 138.41 2rmx s PRO 56 Ca 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.34 2rmx s PRO 56 Cb 0.00 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2rmx s PRO 56 CO 0.00 -3.67 0.00 0.41 0.04 0.00 0.00 177.00 173.78 2rmx n GLY 57 N 6.36 0.84 3.83 0.56 0.00 -1.26 -5.14 105.19 110.38 2rmx n GLY 57 Ca 0.42 0.00 -0.33 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 6.48 -0.22 1.61 1.04 -1.01 -4.98 113.70 116.62 2rmx s SER 58 Ca 0.00 1.66 -0.29 0.00 0.48 0.00 0.00 55.95 57.80 2rmx s SER 58 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2rmx s SER 58 CO 0.00 -0.68 1.61 -2.16 0.98 0.00 0.00 173.24 172.98 2rmx s PRO 59 N -3.87 3.81 0.32 4.02 0.04 -1.26 -4.54 135.00 133.51 2rmx s PRO 59 Ca 0.61 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 63.11 2rmx s PRO 59 Cb -0.11 -4.03 -0.14 0.00 0.04 0.00 0.00 34.50 30.26 2rmx s PRO 59 CO 0.29 -1.28 0.14 1.28 0.04 0.00 0.00 177.00 177.47 2rmx n LEU 60 N 8.39 -2.22 -4.76 -3.56 4.77 -1.26 -3.77 117.00 114.59 2rmx n LEU 60 Ca 0.19 0.75 -0.36 0.00 -0.03 0.00 0.00 56.01 56.56 2rmx n LEU 60 Cb 0.45 -0.77 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2rmx n LEU 60 CO 0.65 -3.43 0.83 -0.60 -1.33 0.00 0.00 177.39 173.50 2rmx s ARG 61 N -0.86 3.03 -0.24 3.23 6.06 -0.49 -4.77 118.95 124.90 2rmx s ARG 61 Ca 0.52 1.77 0.02 0.00 -2.50 0.00 0.00 55.73 55.54 2rmx s ARG 61 Cb -0.60 -1.94 0.05 0.00 0.06 0.00 0.00 34.95 32.52 2rmx s ARG 61 CO 0.53 -1.15 -0.13 0.08 -2.50 0.00 0.00 175.30 172.13 2rmx s VAL 62 N -1.66 2.14 -0.19 7.11 1.01 -1.26 -1.18 120.40 126.37 2rmx s VAL 62 Ca 0.76 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 2rmx s VAL 62 Cb -0.29 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2rmx s VAL 62 CO 0.32 0.11 0.78 -0.89 0.00 0.00 0.00 175.10 175.43 2rmx s THR 63 N 1.15 4.90 -0.44 3.92 2.01 0.28 -4.89 115.64 122.57 2rmx s THR 63 Ca -0.06 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.32 2rmx s THR 63 Cb -0.18 -4.09 0.06 0.00 0.01 0.00 0.00 72.50 68.30 2rmx s THR 63 CO -0.07 0.03 0.33 -1.00 -0.69 0.00 0.00 174.62 173.21 2rmx s HIS 64 N 2.23 3.26 -0.40 4.92 3.76 -1.26 -1.62 115.29 126.18 2rmx s HIS 64 Ca 0.35 -0.96 -0.04 0.00 -0.15 0.00 0.00 55.06 54.26 2rmx s HIS 64 Cb -0.16 -2.91 0.10 0.00 1.11 0.00 0.00 32.58 30.72 2rmx s HIS 64 CO 0.11 -0.74 0.19 0.42 -0.85 0.00 0.00 174.74 173.86 2rmx s ILE 65 N 1.60 3.40 0.21 0.60 1.01 0.22 -4.97 121.20 123.27 2rmx s ILE 65 Ca 0.04 -1.87 -0.31 0.00 0.00 0.00 0.00 60.65 58.51 2rmx s ILE 65 Cb -0.22 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.91 2rmx s ILE 65 CO 0.07 -0.59 1.52 -1.59 0.00 0.00 0.00 174.94 174.35 2rmx s LYS 66 N 1.20 4.23 -0.38 2.79 -2.85 -1.26 0.15 119.74 123.62 2rmx s LYS 66 Ca 0.06 2.36 -0.13 0.00 -1.00 0.00 0.00 55.97 57.25 2rmx s LYS 66 Cb -0.22 -3.13 0.01 0.00 -2.06 0.00 0.00 37.83 32.43 2rmx s LYS 66 CO -0.03 -0.54 0.26 0.08 0.10 0.00 0.00 175.35 175.22 2rmx s VAL 67 N 0.61 5.11 0.56 1.79 1.01 0.20 -4.80 120.40 124.87 2rmx s VAL 67 Ca 0.65 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2rmx s VAL 67 Cb -0.43 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2rmx s VAL 67 CO 0.37 -0.18 0.99 -0.04 0.00 0.00 0.00 175.10 176.24 2rmx s MET 68 N 1.67 3.77 -0.03 2.72 -1.94 0.25 -1.67 119.30 124.07 2rmx s MET 68 Ca 0.05 0.82 0.05 0.00 -1.71 0.00 0.00 55.69 54.90 2rmx s MET 68 Cb -0.18 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.52 2rmx s MET 68 CO 0.09 -0.39 -0.17 0.00 -0.01 0.00 0.00 175.02 174.54 2rmx n GLU 70 N 2.85 1.42 -2.24 0.00 -0.58 -0.83 -4.89 120.64 116.37 2rmx n GLU 70 Ca -0.16 -3.98 -0.06 0.00 -0.42 0.00 0.00 57.16 52.54 2rmx n GLU 70 Cb 0.54 -1.91 0.03 0.00 -0.57 0.00 0.00 31.44 29.52 2rmx n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rmx n GLY 71 N 1.72 0.12 1.61 0.62 0.00 -1.26 -3.83 105.19 104.17 2rmx n GLY 71 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.33 2.39 3.67 -0.02 0.00 -1.26 -5.00 105.19 103.63 2rmx n GLY 72 Ca -0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.34 0.00 1.61 0.52 -1.25 -4.79 118.95 114.70 2rmx s ARG 73 Ca 0.00 0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2rmx s ARG 73 Cb 0.00 -1.69 -0.00 0.00 0.52 0.00 0.00 34.95 33.78 2rmx s ARG 73 CO 0.00 -3.15 -0.03 0.71 0.02 0.00 0.00 175.30 172.84 2rmx s TYR 74 N -3.11 0.28 0.09 -0.53 2.02 -0.96 -1.97 117.35 113.17 2rmx s TYR 74 Ca 0.69 -0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 57.23 2rmx s TYR 74 Cb -0.12 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.24 2rmx s TYR 74 CO 0.56 -0.02 0.12 -0.08 -1.57 0.00 0.00 175.55 174.56 2rmx s THR 75 N -0.24 0.15 -0.52 -0.71 -1.32 0.70 -1.44 115.64 112.27 2rmx s THR 75 Ca -0.01 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 59.03 2rmx s THR 75 Cb -0.02 -1.54 0.15 0.00 -1.51 0.00 0.00 72.50 69.58 2rmx s THR 75 CO -0.00 -0.69 0.31 0.68 -2.21 0.00 0.00 174.62 172.71 2rmx s VAL 76 N -3.91 1.93 0.00 5.08 -7.23 -1.26 -0.59 120.40 114.41 2rmx s VAL 76 Ca 0.09 -3.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.11 2rmx s VAL 76 Cb 0.06 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2rmx s VAL 76 CO -0.08 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.39 2rmx n GLY 77 N 3.00 1.26 3.62 2.32 0.00 -1.26 -4.92 105.19 109.22 2rmx n GLY 77 Ca 0.12 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.60 0.39 -0.02 0.00 -1.26 -4.93 107.32 103.10 2rmx s GLY 78 Ca 0.00 0.04 0.21 0.00 0.00 0.00 0.00 44.72 44.98 2rmx s GLY 78 CO 0.00 0.61 1.65 1.41 0.00 0.00 0.00 173.10 176.77 2rmx h LEU 79 N -2.05 0.00 -9.15 0.66 3.38 -2.01 -3.46 115.31 102.68 2rmx h LEU 79 Ca -0.53 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.18 2rmx h LEU 79 Cb 1.30 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.20 2rmx h LEU 79 CO 0.50 0.26 -0.46 -0.62 0.09 0.00 0.00 178.44 178.21 2rmx n GLU 80 N -3.24 -2.18 -3.94 1.13 -0.58 -1.26 -5.04 120.64 105.53 2rmx n GLU 80 Ca 0.02 -0.64 -0.08 0.00 -0.42 0.00 0.00 57.16 56.03 2rmx n GLU 80 Cb 0.55 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 2rmx n GLU 80 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2rmx s THR 81 N -2.10 0.00 -0.07 2.62 -4.23 -1.26 -4.59 115.64 106.01 2rmx s THR 81 Ca 0.40 -1.23 -0.08 0.00 -1.18 0.00 0.00 61.69 59.59 2rmx s THR 81 Cb -0.07 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.67 2rmx s THR 81 CO 0.40 0.00 0.23 -0.36 -0.54 0.00 0.00 174.62 174.35 2rmx s PHE 82 N -3.96 -0.22 0.23 3.99 0.40 -0.52 -4.93 117.98 112.96 2rmx s PHE 82 Ca 0.18 0.53 -0.17 0.00 -0.60 0.00 0.00 56.93 56.87 2rmx s PHE 82 Cb -0.03 0.07 0.24 0.00 0.51 0.00 0.00 43.02 43.81 2rmx s PHE 82 CO 0.08 -0.16 1.52 -3.47 0.70 0.00 0.00 175.22 173.89 2rmx n ASP 83 N 2.70 -0.63 -2.60 1.36 2.03 -1.26 -2.26 116.55 115.88 2rmx n ASP 83 Ca -0.14 1.70 -0.07 0.00 0.52 0.00 0.00 54.79 56.81 2rmx n ASP 83 Cb 0.58 -0.39 0.02 0.00 -0.72 0.00 0.00 41.12 40.61 2rmx n ASP 83 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2rmx n SER 84 N -5.44 -1.86 -0.38 1.67 3.41 -1.26 -4.47 113.62 105.29 2rmx n SER 84 Ca 0.10 -2.24 0.37 0.00 -0.26 0.00 0.00 58.87 56.84 2rmx n SER 84 Cb 0.39 3.09 0.74 0.00 -0.26 0.00 0.00 64.21 68.17 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2rmx h LEU 85 N 0.00 0.05 0.60 1.04 -0.00 -1.94 0.33 115.31 115.39 2rmx h LEU 85 Ca -0.27 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 2rmx h LEU 85 Cb 1.04 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.72 2rmx h LEU 85 CO 0.35 0.00 -0.29 0.74 -0.00 0.00 0.00 178.44 179.24 2rmx h THR 86 N 0.04 0.00 -0.80 0.22 2.02 -1.97 0.11 112.91 112.54 2rmx h THR 86 Ca 0.63 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 67.53 2rmx h THR 86 Cb 2.42 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 2rmx h THR 86 CO -0.05 0.00 0.52 -0.78 0.37 0.00 0.00 175.52 175.58 2rmx h ASP 87 N -1.15 0.73 0.42 4.18 1.82 -1.57 0.17 116.42 121.01 2rmx h ASP 87 Ca -0.08 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 2rmx h ASP 87 Cb 0.62 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.48 2rmx h ASP 87 CO 0.13 0.46 -0.20 0.25 -1.61 0.00 0.00 179.24 178.28 2rmx h LEU 88 N 0.83 -0.48 0.26 2.28 6.46 -1.00 -2.51 115.31 121.15 2rmx h LEU 88 Ca 0.35 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.13 2rmx h LEU 88 Cb 0.30 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 2rmx h LEU 88 CO -0.13 -0.18 -0.44 0.58 -0.62 0.00 0.00 178.44 177.65 2rmx h VAL 89 N -0.89 0.12 -0.60 1.05 2.07 -0.65 -1.90 116.25 115.45 2rmx h VAL 89 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2rmx h VAL 89 Cb 0.43 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.22 2rmx h VAL 89 CO 0.09 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.87 2rmx h GLU 90 N -0.77 -0.23 -0.21 1.57 5.08 -0.80 1.17 114.58 120.39 2rmx h GLU 90 Ca -0.01 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2rmx h GLU 90 Cb 0.74 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2rmx h GLU 90 CO -0.17 -0.15 0.31 1.25 -1.00 0.00 0.00 179.01 179.25 2rmx h HIS 91 N -0.23 0.00 0.00 4.33 2.76 -1.21 0.49 115.15 121.29 2rmx h HIS 91 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2rmx h HIS 91 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2rmx h HIS 91 CO -0.76 0.00 -1.07 1.19 -1.30 0.00 0.00 177.93 175.99 2rmx n PHE 92 N -3.49 0.35 0.27 5.26 3.72 0.34 -2.98 117.46 120.93 2rmx n PHE 92 Ca 0.03 0.10 0.15 0.00 -0.05 0.00 0.00 57.45 57.67 2rmx n PHE 92 Cb 0.43 -0.52 0.44 0.00 -0.94 0.00 0.00 39.48 38.90 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 0.53 0.73 116.57 118.32 2rmx h LYS 93 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2rmx h LYS 93 Cb 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 2rmx h LYS 93 CO 0.00 0.00 -2.02 0.36 -0.57 0.00 0.00 179.45 177.22 2rmx n LYS 94 N -3.04 0.93 -0.08 3.15 2.85 -1.13 -4.61 118.16 116.23 2rmx n LYS 94 Ca 0.02 0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.24 2rmx n LYS 94 Cb 0.41 -1.37 -0.05 0.00 -0.65 0.00 0.00 35.03 33.36 2rmx n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2rmx h THR 95 N 0.00 0.42 0.00 0.58 1.35 -1.60 -3.52 112.91 110.14 2rmx h THR 95 Ca -0.40 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2rmx h THR 95 Cb 1.73 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2rmx h THR 95 CO -0.03 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2rmx n GLY 96 N 1.58 2.32 3.84 5.82 0.00 0.25 -5.04 105.19 113.96 2rmx n GLY 96 Ca -0.14 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.31 5.33 -0.23 -0.61 1.01 -1.11 -4.96 121.20 118.32 2rmx s ILE 97 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 2rmx s ILE 97 Cb 0.00 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 2rmx s ILE 97 CO 0.00 0.61 -0.03 -0.70 0.00 0.00 0.00 174.94 174.82 2rmx s GLU 98 N -0.94 3.26 0.02 2.79 2.12 -1.26 -1.31 118.70 123.38 2rmx s GLU 98 Ca 0.14 -0.71 -0.22 0.00 0.36 0.00 0.00 54.97 54.55 2rmx s GLU 98 Cb -0.12 -3.06 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 2rmx s GLU 98 CO 0.03 -0.26 0.64 -1.21 -0.54 0.00 0.00 175.26 173.93 2rmx s GLU 99 N 1.46 4.36 0.24 4.30 8.01 0.58 -4.96 118.70 132.70 2rmx s GLU 99 Ca 0.05 0.83 -0.15 0.00 0.01 0.00 0.00 54.97 55.71 2rmx s GLU 99 Cb -0.15 -3.34 0.30 0.00 -4.31 0.00 0.00 34.13 26.63 2rmx s GLU 99 CO -0.03 0.37 1.56 0.00 0.01 0.00 0.00 175.26 177.17 2rmx h ALA 100 N 5.52 0.29 -1.00 5.21 0.00 -1.99 0.65 119.26 127.94 2rmx h ALA 100 Ca -0.45 0.30 0.42 0.00 0.00 0.00 0.00 54.91 55.18 2rmx h ALA 100 Cb 1.20 0.93 -0.18 0.00 0.00 0.00 0.00 17.79 19.74 2rmx h ALA 100 CO 0.69 -0.56 0.54 0.77 0.00 0.00 0.00 179.25 180.70 2rmx h SER 101 N -0.01 0.33 0.00 0.00 0.02 -2.05 -3.43 113.55 108.41 2rmx h SER 101 Ca 0.38 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 2rmx h SER 101 Cb 0.63 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2rmx h SER 101 CO -0.98 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 174.89 2rmx n GLY 102 N -1.26 1.58 3.61 -3.77 0.00 0.22 -5.15 105.19 100.43 2rmx n GLY 102 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.58 3.06 -0.28 4.61 0.00 -1.13 -4.94 121.76 121.50 2rmx s ALA 103 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.68 2rmx s ALA 103 Cb 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.26 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 -1.45 3.16 -0.04 0.00 0.08 -1.26 -0.31 117.98 118.16 2rmx s PHE 104 Ca 0.24 -2.37 -0.29 0.00 0.12 0.00 0.00 56.93 54.62 2rmx s PHE 104 Cb -0.10 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2rmx s PHE 104 CO 0.16 -0.88 0.97 0.08 -0.10 0.00 0.00 175.22 175.45 2rmx s VAL 105 N 1.13 4.85 -0.14 -0.44 1.01 -0.42 -4.94 120.40 121.43 2rmx s VAL 105 Ca -0.02 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 2rmx s VAL 105 Cb -0.19 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2rmx s VAL 105 CO -0.07 0.11 -0.12 -0.31 0.00 0.00 0.00 175.10 174.71 2rmx s TYR 106 N 1.37 2.84 -0.82 5.22 2.02 -1.26 -2.73 117.35 123.99 2rmx s TYR 106 Ca 0.50 -0.70 -0.08 0.00 -0.37 0.00 0.00 57.07 56.42 2rmx s TYR 106 Cb -0.20 -1.89 0.21 0.00 -0.40 0.00 0.00 41.96 39.69 2rmx s TYR 106 CO 0.24 -0.27 0.72 -0.51 -1.57 0.00 0.00 175.55 174.16 2rmx s LEU 107 N 0.53 6.07 -0.15 -1.29 1.02 -1.26 -4.16 118.68 119.43 2rmx s LEU 107 Ca -0.08 -3.02 -0.28 0.00 0.02 0.00 0.00 54.13 50.77 2rmx s LEU 107 Cb -0.16 -2.06 -0.25 0.00 0.02 0.00 0.00 46.19 43.75 2rmx s LEU 107 CO 0.04 -0.41 0.71 0.03 0.02 0.00 0.00 176.35 176.73 2rmx h ARG 108 N 7.13 0.00 -3.65 1.70 3.08 -1.75 -3.43 114.38 117.46 2rmx h ARG 108 Ca 0.09 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2rmx h ARG 108 Cb 0.96 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.76 2rmx h ARG 108 CO 0.79 1.00 -0.63 1.14 -1.07 0.00 0.00 179.97 181.20 2rmx s GLN 109 N -2.23 0.20 0.00 0.04 0.00 -1.12 -5.08 119.66 111.47 2rmx s GLN 109 Ca -0.20 -0.16 0.00 0.00 -0.00 0.00 0.00 55.36 55.00 2rmx s GLN 109 Cb -0.02 0.08 0.00 0.00 0.00 0.00 0.00 33.01 33.07 2rmx s GLN 109 CO 0.68 -0.04 0.00 -0.35 0.00 0.00 0.00 175.29 175.58 2rmx n PRO 110 N 2.43 0.06 -3.70 9.60 -0.04 -1.26 -2.75 135.00 139.34 2rmx n PRO 110 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 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 -0.46 1.30 -0.42 0.54 5.04 -0.98 -4.57 117.35 117.78 2rmx s TYR 111 Ca 0.00 -1.37 -0.24 0.00 -2.44 0.00 0.00 57.07 53.02 2rmx s TYR 111 Cb 0.00 -1.40 0.02 0.00 0.35 0.00 0.00 41.96 40.94 2rmx s TYR 111 CO 0.00 -0.80 0.85 0.71 -1.34 0.00 0.00 175.55 174.97 2rmx s TYR 112 N 1.76 3.01 0.03 4.97 2.02 -1.26 -4.83 117.35 123.04 2rmx s TYR 112 Ca 0.07 0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.90 2rmx s TYR 112 Cb -0.17 -3.71 -0.17 0.00 -0.40 0.00 0.00 41.96 37.51 2rmx s TYR 112 CO -0.23 -0.95 1.38 1.03 -1.57 0.00 0.00 175.55 175.21 2rmx h SER 113 N 8.84 -0.46 -0.97 2.29 0.87 -1.96 -3.50 113.55 118.66 2rmx h SER 113 Ca -0.24 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2rmx h SER 113 Cb 1.08 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2rmx h SER 113 CO 0.97 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 2rmx n GLY 114 N -0.72 2.30 0.15 5.77 0.00 -1.26 -4.76 105.19 106.67 2rmx n GLY 114 Ca -0.11 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 -0.23 1.61 0.13 -2.02 -3.18 132.00 128.31 2rmx h PRO 115 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 2rmx h PRO 115 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2rmx h PRO 115 CO 0.00 0.00 0.06 1.03 -0.23 0.00 0.00 178.00 178.86 2rmx h SER 116 N 0.00 0.05 -0.97 1.44 0.87 -2.03 -2.82 113.55 110.09 2rmx h SER 116 Ca 0.00 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 60.74 2rmx h SER 116 Cb 0.38 0.03 -0.16 0.00 -0.44 0.00 0.00 62.40 62.22 2rmx h SER 116 CO 0.00 0.06 -0.38 -1.54 -0.53 0.00 0.00 176.83 174.44 2rmx n SER 117 N -5.06 -0.63 0.00 6.23 3.41 -1.20 -5.29 113.62 111.07 2rmx n SER 117 Ca -0.02 1.69 0.00 0.00 -0.26 0.00 0.00 58.87 60.28 2rmx n SER 117 Cb 0.09 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2rmx n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49