#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 -2.94 -4.69 1.61 7.64 -1.26 -4.87 113.62 109.10 2rmx n SER 2 Ca 0.00 -0.46 -0.43 0.00 1.01 0.00 0.00 58.87 58.99 2rmx n SER 2 Cb 0.00 -1.06 -0.01 0.00 -1.01 0.00 0.00 64.21 62.14 2rmx n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rmx n SER 3 N -4.38 2.73 0.00 6.43 3.41 -1.26 -4.91 113.62 115.64 2rmx n SER 3 Ca 0.06 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 2rmx n SER 3 Cb 0.55 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2rmx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rmx n GLY 4 N 0.88 4.02 3.51 5.00 0.00 -1.26 -5.15 105.19 112.19 2rmx n GLY 4 Ca 0.05 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 4.12 0.14 1.61 1.04 -1.26 -5.00 113.70 114.36 2rmx s SER 5 Ca 0.00 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.18 2rmx s SER 5 Cb 0.00 -0.80 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 2rmx s SER 5 CO 0.00 0.27 0.10 -0.55 0.98 0.00 0.00 173.24 174.04 2rmx s SER 6 N -1.37 5.41 0.00 7.02 0.15 -1.26 -5.13 113.70 118.52 2rmx s SER 6 Ca 0.15 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2rmx s SER 6 Cb -0.11 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 2rmx s SER 6 CO 0.06 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2rmx n GLY 7 N -0.11 1.75 0.96 9.45 0.00 -1.26 -5.01 105.19 110.97 2rmx n GLY 7 Ca -0.09 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 1.01 -3.48 1.61 4.27 -1.26 -4.73 117.44 114.86 2rmx n TRP 8 Ca 0.00 -1.01 -0.41 0.00 -3.89 0.00 0.00 57.50 52.19 2rmx n TRP 8 Cb 0.00 -0.36 -0.10 0.00 -1.36 0.00 0.00 31.31 29.49 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 -2.91 3.22 -0.16 -2.67 5.04 -1.26 -1.30 117.35 117.31 2rmx s TYR 9 Ca 0.43 -0.27 -0.13 0.00 -2.44 0.00 0.00 57.07 54.66 2rmx s TYR 9 Cb 0.35 -2.56 -0.05 0.00 0.35 0.00 0.00 41.96 40.05 2rmx s TYR 9 CO 0.07 -0.44 -0.24 0.72 -1.34 0.00 0.00 175.55 174.33 2rmx n HIS 10 N 5.20 0.53 0.00 4.97 8.25 -1.08 -5.04 115.22 128.06 2rmx n HIS 10 Ca -0.11 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2rmx n HIS 10 Cb 0.49 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 1.53 1.33 3.56 -1.41 0.00 -1.26 -4.97 105.19 103.97 2rmx n GLY 11 Ca -0.13 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 2rmx n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rmx s HIS 12 N 0.00 1.66 -0.00 1.61 3.76 -1.26 -1.95 115.29 119.11 2rmx s HIS 12 Ca 0.00 0.80 -0.28 0.00 -0.15 0.00 0.00 55.06 55.43 2rmx s HIS 12 Cb 0.00 -4.07 0.10 0.00 1.11 0.00 0.00 32.58 29.71 2rmx s HIS 12 CO 0.00 -2.37 0.85 1.41 -0.85 0.00 0.00 174.74 173.77 2rmx s MET 13 N 6.93 0.88 0.47 1.40 0.00 -1.26 -5.02 119.30 122.69 2rmx s MET 13 Ca 0.70 -0.25 0.02 0.00 0.00 0.00 0.00 55.69 56.16 2rmx s MET 13 Cb -0.14 0.40 -0.01 0.00 0.00 0.00 0.00 34.83 35.09 2rmx s MET 13 CO 0.22 -0.37 0.08 -1.54 0.00 0.00 0.00 175.02 173.42 2rmx s SER 14 N -2.30 3.48 0.02 1.11 1.04 -1.26 -4.71 113.70 111.09 2rmx s SER 14 Ca 0.03 -1.72 -0.28 0.00 0.48 0.00 0.00 55.95 54.45 2rmx s SER 14 Cb -0.01 0.64 -0.15 0.00 0.10 0.00 0.00 66.02 66.60 2rmx s SER 14 CO -0.07 -0.96 1.20 1.23 0.98 0.00 0.00 173.24 175.61 2rmx h GLY 15 N 1.52 -1.06 -0.14 7.32 0.00 -2.00 -2.25 103.07 106.47 2rmx h GLY 15 Ca -0.38 0.39 0.21 0.00 0.00 0.00 0.00 47.33 47.55 2rmx h GLY 15 CO 0.62 -0.38 0.42 -1.33 0.00 0.00 0.00 176.54 175.87 2rmx h GLY 16 N -1.22 1.55 0.75 4.60 0.00 -2.01 -2.34 103.07 104.40 2rmx h GLY 16 Ca -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2rmx h GLY 16 CO 0.17 -0.23 -0.36 -1.61 0.00 0.00 0.00 176.54 174.51 2rmx h GLN 17 N 0.45 -0.97 -0.92 4.80 5.75 -1.97 -2.91 115.11 119.35 2rmx h GLN 17 Ca 0.56 0.07 0.30 0.00 -0.15 0.00 0.00 58.65 59.43 2rmx h GLN 17 Cb 1.02 0.22 -0.17 0.00 1.07 0.00 0.00 27.48 29.63 2rmx h GLN 17 CO -0.50 -0.65 0.21 0.00 -2.65 0.00 0.00 178.83 175.24 2rmx n ALA 18 N -2.52 0.65 -0.16 3.38 0.00 -0.85 0.14 120.51 121.16 2rmx n ALA 18 Ca -0.12 0.96 -0.04 0.00 0.00 0.00 0.00 53.44 54.23 2rmx n ALA 18 Cb 0.40 -0.80 0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.27 0.00 5.08 -1.29 0.25 114.58 118.83 2rmx h GLU 19 Ca 0.64 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.96 2rmx h GLU 19 Cb 1.50 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2rmx h GLU 19 CO -0.80 0.31 0.09 1.15 -1.00 0.00 0.00 179.01 178.77 2rmx h THR 20 N 0.48 1.19 -0.59 1.13 2.02 0.14 0.47 112.91 117.75 2rmx h THR 20 Ca 0.22 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 2rmx h THR 20 Cb 0.13 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2rmx h THR 20 CO -0.16 0.20 0.24 -0.07 0.37 0.00 0.00 175.52 176.10 2rmx h LEU 21 N 0.28 0.82 0.31 2.58 4.07 -0.90 -0.22 115.31 122.25 2rmx h LEU 21 Ca 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 2rmx h LEU 21 Cb 0.22 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2rmx h LEU 21 CO -0.00 0.76 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.90 2rmx h LEU 22 N 0.82 -0.35 -0.80 1.67 3.38 -0.38 -2.58 115.31 117.07 2rmx h LEU 22 Ca 0.20 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.37 2rmx h LEU 22 Cb 0.20 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 2rmx h LEU 22 CO -0.02 -0.04 0.19 1.56 0.09 0.00 0.00 178.44 180.22 2rmx h GLN 23 N -0.84 0.24 -0.79 1.13 4.20 -0.12 0.17 115.11 119.09 2rmx h GLN 23 Ca -0.04 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2rmx h GLN 23 Cb 0.32 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2rmx h GLN 23 CO 0.07 0.16 0.51 0.00 -0.67 0.00 0.00 178.83 178.90 2rmx h ALA 24 N 1.68 1.02 -0.69 3.87 0.00 -1.12 -2.42 119.26 121.61 2rmx h ALA 24 Ca 0.47 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.44 2rmx h ALA 24 Cb 0.86 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2rmx h ALA 24 CO -0.58 0.34 0.33 -0.22 0.00 0.00 0.00 179.25 179.13 2rmx h LYS 25 N 1.01 0.54 -0.69 0.00 1.63 -0.25 -3.46 116.57 115.35 2rmx h LYS 25 Ca 0.31 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.92 2rmx h LYS 25 Cb -0.03 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 2rmx h LYS 25 CO -0.10 0.36 -0.17 0.41 -3.45 0.00 0.00 179.45 176.50 2rmx n GLY 26 N -1.30 0.56 3.37 5.01 0.00 -0.91 -5.01 105.19 106.90 2rmx n GLY 26 Ca 0.11 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.42 3.49 0.36 1.61 8.01 -1.26 -5.06 118.70 122.42 2rmx s GLU 27 Ca 0.00 -0.57 -0.27 0.00 0.01 0.00 0.00 54.97 54.14 2rmx s GLU 27 Cb 0.00 -3.09 -0.09 0.00 -4.31 0.00 0.00 34.13 26.63 2rmx s GLU 27 CO 0.00 -0.15 1.21 -1.25 0.01 0.00 0.00 175.26 175.08 2rmx s PRO 28 N 1.40 4.24 -0.95 0.39 0.04 -1.26 -3.25 135.00 135.61 2rmx s PRO 28 Ca 0.05 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 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 -0.00 -0.20 0.22 0.91 0.04 0.00 0.00 177.00 177.97 2rmx n TRP 29 N 0.49 -0.93 -3.13 0.56 5.03 0.10 -4.84 117.44 114.73 2rmx n TRP 29 Ca 0.02 0.19 -0.45 0.00 3.03 0.00 0.00 57.50 60.29 2rmx n TRP 29 Cb 0.44 -2.92 -0.04 0.00 -1.03 0.00 0.00 31.31 27.76 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 -2.79 4.87 0.38 -0.99 2.01 -1.20 -2.20 115.64 115.71 2rmx s THR 30 Ca 0.11 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2rmx s THR 30 Cb -0.05 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 2rmx s THR 30 CO 0.14 -1.11 0.59 0.72 -0.69 0.00 0.00 174.62 174.28 2rmx s PHE 31 N 2.54 3.46 -0.28 4.92 -0.71 -0.98 -1.89 117.98 125.03 2rmx s PHE 31 Ca 0.11 0.37 -0.21 0.00 -1.04 0.00 0.00 56.93 56.16 2rmx s PHE 31 Cb -0.24 -2.01 0.11 0.00 -1.21 0.00 0.00 43.02 39.66 2rmx s PHE 31 CO 0.05 -0.00 0.88 -0.48 -1.34 0.00 0.00 175.22 174.33 2rmx s LEU 32 N -4.40 -0.63 0.11 -1.99 0.05 -0.16 -1.65 118.68 110.00 2rmx s LEU 32 Ca 0.42 1.12 0.03 0.00 0.05 0.00 0.00 54.13 55.75 2rmx s LEU 32 Cb -0.10 2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 46.09 2rmx s LEU 32 CO 0.37 -0.19 0.12 -0.69 -0.55 0.00 0.00 176.35 175.42 2rmx s VAL 33 N 0.81 4.67 0.29 1.48 1.01 -0.42 -1.90 120.40 126.35 2rmx s VAL 33 Ca -0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2rmx s VAL 33 Cb -0.05 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.05 2rmx s VAL 33 CO -0.10 0.05 0.47 -2.11 0.00 0.00 0.00 175.10 173.41 2rmx n ARG 34 N 0.15 0.68 -4.33 2.72 1.85 -1.18 -2.63 116.66 113.92 2rmx n ARG 34 Ca -0.08 -2.04 -0.34 0.00 -1.00 0.00 0.00 57.85 54.39 2rmx n ARG 34 Cb 0.53 2.15 -0.11 0.00 -1.05 0.00 0.00 32.46 33.97 2rmx n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2rmx s GLU 35 N -2.43 3.64 1.15 2.89 2.02 -0.82 -3.76 118.70 121.38 2rmx s GLU 35 Ca 0.19 -0.47 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 2rmx s GLU 35 Cb -0.02 -2.95 0.29 0.00 0.10 0.00 0.00 34.13 31.55 2rmx s GLU 35 CO 0.14 0.31 0.66 0.43 0.02 0.00 0.00 175.26 176.82 2rmx n SER 36 N 3.35 -3.66 -3.98 -0.19 7.64 -1.24 -4.34 113.62 111.19 2rmx n SER 36 Ca -0.17 -0.67 -0.30 0.00 1.01 0.00 0.00 58.87 58.74 2rmx n SER 36 Cb 0.53 -0.78 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 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 2.31 -1.26 -3.43 1.43 -1.26 -4.77 118.68 111.70 2rmx s LEU 37 Ca 0.51 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2rmx s LEU 37 Cb -0.09 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2rmx s LEU 37 CO 0.43 -0.17 1.01 -0.24 0.23 0.00 0.00 176.35 177.61 2rmx n SER 38 N 4.69 -3.10 -4.13 2.29 2.88 -1.26 -5.01 113.62 109.98 2rmx n SER 38 Ca -0.14 -0.63 -0.24 0.00 -1.33 0.00 0.00 58.87 56.53 2rmx n SER 38 Cb 0.46 -4.94 -0.16 0.00 -0.75 0.00 0.00 64.21 58.83 2rmx n SER 38 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2rmx s GLN 39 N -5.71 1.46 -0.45 -1.46 -0.21 -1.26 -5.09 119.66 106.93 2rmx s GLN 39 Ca 0.17 -0.57 -0.28 0.00 0.02 0.00 0.00 55.36 54.70 2rmx s GLN 39 Cb -0.08 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.57 2rmx s GLN 39 CO 0.74 0.29 1.76 -1.25 -2.12 0.00 0.00 175.29 174.71 2rmx s PRO 40 N -0.18 3.12 -0.81 2.91 0.04 -1.26 -4.06 135.00 134.75 2rmx s PRO 40 Ca 0.02 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 2rmx s PRO 40 Cb -0.08 -4.24 0.02 0.00 0.04 0.00 0.00 34.50 30.24 2rmx s PRO 40 CO 0.00 -2.13 0.51 0.41 0.04 0.00 0.00 177.00 175.84 2rmx n GLY 41 N 5.47 -0.88 2.86 0.56 0.00 -1.26 -4.94 105.19 107.00 2rmx n GLY 41 Ca 0.21 0.39 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 2rmx n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rmx s ASP 42 N -3.26 0.27 0.55 1.61 1.01 -1.26 -4.06 116.67 111.53 2rmx s ASP 42 Ca 0.18 0.27 0.06 0.00 0.71 0.00 0.00 52.55 53.77 2rmx s ASP 42 Cb -0.10 0.16 0.05 0.00 1.01 0.00 0.00 42.92 44.04 2rmx s ASP 42 CO 0.75 -0.18 0.46 -0.36 0.21 0.00 0.00 175.17 176.05 2rmx s PHE 43 N 1.59 1.59 -0.01 4.23 0.40 -0.74 -3.64 117.98 121.40 2rmx s PHE 43 Ca -0.04 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.37 2rmx s PHE 43 Cb -0.12 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.46 2rmx s PHE 43 CO -0.05 -0.58 0.20 0.08 0.70 0.00 0.00 175.22 175.57 2rmx s VAL 44 N -2.76 0.07 -0.02 -0.44 1.01 -1.25 0.03 120.40 117.05 2rmx s VAL 44 Ca 0.38 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.87 2rmx s VAL 44 Cb -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2rmx s VAL 44 CO 0.24 -0.30 -0.19 -0.22 0.00 0.00 0.00 175.10 174.62 2rmx s LEU 45 N -1.19 2.03 0.09 3.92 2.96 -0.27 -3.12 118.68 123.10 2rmx s LEU 45 Ca -0.13 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2rmx s LEU 45 Cb -0.06 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 2rmx s LEU 45 CO 0.02 0.23 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.65 2rmx s SER 46 N -0.43 2.33 -0.14 3.68 0.01 -0.80 -0.93 113.70 117.42 2rmx s SER 46 Ca 0.07 -0.64 -0.13 0.00 1.31 0.00 0.00 55.95 56.55 2rmx s SER 46 Cb -0.08 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.06 2rmx s SER 46 CO -0.01 0.04 0.37 -0.69 0.41 0.00 0.00 173.24 173.37 2rmx s VAL 47 N -1.13 0.00 -0.60 3.43 1.01 -1.13 -0.98 120.40 121.00 2rmx s VAL 47 Ca 0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2rmx s VAL 47 Cb -0.10 -0.53 0.15 0.00 0.00 0.00 0.00 36.38 35.90 2rmx s VAL 47 CO 0.03 -0.01 0.57 -0.22 0.00 0.00 0.00 175.10 175.47 2rmx s LEU 48 N 0.14 6.25 0.89 3.92 2.96 -0.79 -1.12 118.68 130.92 2rmx s LEU 48 Ca -0.01 -1.94 -0.11 0.00 -0.22 0.00 0.00 54.13 51.85 2rmx s LEU 48 Cb -0.03 -2.22 0.13 0.00 0.50 0.00 0.00 46.19 44.58 2rmx s LEU 48 CO 0.01 -0.82 1.14 -1.54 -1.32 0.00 0.00 176.35 173.81 2rmx n SER 49 N 5.08 0.42 -0.07 3.68 3.41 -0.44 0.03 113.62 125.72 2rmx n SER 49 Ca -0.08 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 2rmx n SER 49 Cb 0.42 -1.48 0.68 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.93 0.23 -4.50 4.04 2.03 -1.26 -4.15 116.55 109.00 2rmx n ASP 50 Ca 0.12 -1.29 -0.43 0.00 0.52 0.00 0.00 54.79 53.71 2rmx n ASP 50 Cb 0.52 -0.01 -0.07 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 -1.98 3.23 0.51 -0.67 -0.21 -1.26 -5.00 119.66 114.27 2rmx s GLN 51 Ca 0.36 -0.52 -0.21 0.00 0.02 0.00 0.00 55.36 55.02 2rmx s GLN 51 Cb 0.17 -3.99 -0.06 0.00 1.00 0.00 0.00 33.01 30.13 2rmx s GLN 51 CO 0.28 -1.06 1.15 -1.25 -2.12 0.00 0.00 175.29 172.29 2rmx s PRO 52 N 2.76 3.52 0.11 2.91 0.04 -1.26 -2.33 135.00 140.75 2rmx s PRO 52 Ca 0.20 1.68 -0.32 0.00 0.04 0.00 0.00 61.00 62.61 2rmx s PRO 52 Cb -0.15 -2.17 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 2rmx s PRO 52 CO 0.17 -0.73 1.58 0.87 0.04 0.00 0.00 177.00 178.93 2rmx h LYS 53 N 1.55 -0.67 0.00 4.56 1.57 -1.81 -3.42 116.57 118.34 2rmx h LYS 53 Ca -0.50 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2rmx h LYS 53 Cb 1.26 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2rmx h LYS 53 CO 0.58 -0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 2rmx n ALA 54 N -2.83 1.60 -3.00 3.86 0.00 -1.26 -5.10 120.51 113.77 2rmx n ALA 54 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2rmx n ALA 54 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 3.10 4.97 3.57 0.00 0.00 -1.26 -5.03 105.19 110.54 2rmx n GLY 55 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 1.56 2.52 0.00 1.61 0.04 -1.26 -2.72 135.00 136.74 2rmx s PRO 56 Ca 0.00 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.16 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 -3.79 0.00 0.41 0.04 0.00 0.00 177.00 173.66 2rmx n GLY 57 N 6.15 0.87 3.78 0.56 0.00 -1.26 -5.15 105.19 110.15 2rmx n GLY 57 Ca 0.43 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 5.41 -0.23 1.61 1.04 -1.10 -4.95 113.70 115.47 2rmx s SER 58 Ca 0.00 1.95 -0.29 0.00 0.48 0.00 0.00 55.95 58.09 2rmx s SER 58 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 2rmx s SER 58 CO 0.00 -1.43 1.62 -2.16 0.98 0.00 0.00 173.24 172.25 2rmx s PRO 59 N -4.01 3.77 0.41 4.02 0.04 -1.26 -4.57 135.00 133.40 2rmx s PRO 59 Ca 0.66 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 2rmx s PRO 59 Cb -0.19 -4.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.18 2rmx s PRO 59 CO 0.38 -1.33 -0.09 1.28 0.04 0.00 0.00 177.00 177.28 2rmx n LEU 60 N 8.55 -3.02 -4.77 -3.56 4.77 -1.26 -4.08 117.00 113.62 2rmx n LEU 60 Ca 0.19 0.56 -0.37 0.00 -0.03 0.00 0.00 56.01 56.35 2rmx n LEU 60 Cb 0.45 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2rmx n LEU 60 CO 0.65 -3.97 0.82 -0.60 -1.33 0.00 0.00 177.39 172.96 2rmx s ARG 61 N -0.84 3.86 -0.11 3.23 6.06 -0.98 -4.75 118.95 125.43 2rmx s ARG 61 Ca 0.48 1.77 0.01 0.00 -2.50 0.00 0.00 55.73 55.48 2rmx s ARG 61 Cb -0.42 -2.48 -0.02 0.00 0.06 0.00 0.00 34.95 32.09 2rmx s ARG 61 CO 0.55 -0.46 -0.14 0.08 -2.50 0.00 0.00 175.30 172.83 2rmx s VAL 62 N -1.53 2.99 -0.38 7.11 1.01 -1.26 -1.33 120.40 127.02 2rmx s VAL 62 Ca 0.61 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2rmx s VAL 62 Cb -0.28 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 33.93 2rmx s VAL 62 CO 0.35 0.54 0.18 -0.89 0.00 0.00 0.00 175.10 175.28 2rmx s THR 63 N 0.10 3.96 -0.35 3.92 2.01 -0.27 -4.96 115.64 120.05 2rmx s THR 63 Ca -0.06 -1.29 -0.18 0.00 0.31 0.00 0.00 61.69 60.47 2rmx s THR 63 Cb -0.15 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 2rmx s THR 63 CO 0.05 -0.35 0.52 -1.00 -0.69 0.00 0.00 174.62 173.15 2rmx s HIS 64 N 1.40 3.18 -0.24 4.92 3.76 -1.26 -2.82 115.29 124.22 2rmx s HIS 64 Ca 0.01 0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2rmx s HIS 64 Cb -0.21 -2.94 0.02 0.00 1.11 0.00 0.00 32.58 30.56 2rmx s HIS 64 CO 0.02 -0.55 -0.06 0.42 -0.85 0.00 0.00 174.74 173.73 2rmx s ILE 65 N 2.42 2.95 -0.36 0.60 1.01 -0.10 -5.00 121.20 122.71 2rmx s ILE 65 Ca 0.19 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2rmx s ILE 65 Cb -0.15 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 2rmx s ILE 65 CO 0.13 0.25 1.59 -0.54 0.00 0.00 0.00 174.94 176.37 2rmx s LYS 66 N 1.35 3.50 -0.20 2.79 1.02 -1.26 -1.12 119.74 125.82 2rmx s LYS 66 Ca 0.01 1.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.93 2rmx s LYS 66 Cb -0.16 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.06 2rmx s LYS 66 CO -0.05 -1.66 1.00 0.08 -0.92 0.00 0.00 175.35 173.80 2rmx s VAL 67 N 6.01 4.73 0.55 3.17 1.01 0.10 -4.83 120.40 131.15 2rmx s VAL 67 Ca 0.70 1.96 -0.03 0.00 0.00 0.00 0.00 61.98 64.60 2rmx s VAL 67 Cb -0.18 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.93 2rmx s VAL 67 CO 0.33 -0.12 0.83 -0.04 0.00 0.00 0.00 175.10 176.09 2rmx s MET 68 N 2.87 2.85 -0.08 2.72 -1.94 -0.96 -1.80 119.30 122.97 2rmx s MET 68 Ca 0.43 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 2rmx s MET 68 Cb -0.16 -2.37 0.01 0.00 2.01 0.00 0.00 34.83 34.32 2rmx s MET 68 CO 0.09 -0.63 -0.13 0.00 -0.01 0.00 0.00 175.02 174.35 2rmx s GLU 70 N 0.81 2.52 -1.13 0.00 0.41 -0.68 -4.83 118.70 115.81 2rmx s GLU 70 Ca -0.11 -3.33 -0.02 0.00 -0.41 0.00 0.00 54.97 51.09 2rmx s GLU 70 Cb -0.15 -3.47 -0.02 0.00 -1.78 0.00 0.00 34.13 28.71 2rmx s GLU 70 CO 0.02 -1.28 0.96 0.41 -0.49 0.00 0.00 175.26 174.88 2rmx n GLY 71 N 2.02 -0.59 0.07 -1.39 0.00 -1.26 -3.11 105.19 100.92 2rmx n GLY 71 Ca 0.20 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.16 2.88 3.55 -0.02 0.00 -1.26 -5.03 105.19 104.15 2rmx n GLY 72 Ca -0.22 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.38 0.02 1.61 0.52 -1.18 -4.79 118.95 113.75 2rmx s ARG 73 Ca 0.00 0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2rmx s ARG 73 Cb 0.00 -1.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 2rmx s ARG 73 CO 0.00 -3.83 -0.06 0.71 0.02 0.00 0.00 175.30 172.14 2rmx s TYR 74 N -2.89 0.53 0.03 -0.53 2.02 -0.64 -1.68 117.35 114.19 2rmx s TYR 74 Ca 0.70 -0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.98 2rmx s TYR 74 Cb -0.11 -0.33 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2rmx s TYR 74 CO 0.57 -0.06 0.18 -0.08 -1.57 0.00 0.00 175.55 174.58 2rmx s THR 75 N -0.89 0.11 -0.58 -0.71 -1.32 -1.09 -0.90 115.64 110.25 2rmx s THR 75 Ca -0.06 -0.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.59 2rmx s THR 75 Cb -0.07 -0.83 0.15 0.00 -1.51 0.00 0.00 72.50 70.24 2rmx s THR 75 CO 0.00 -0.48 0.34 0.68 -2.21 0.00 0.00 174.62 172.96 2rmx s VAL 76 N -2.35 2.51 0.00 5.08 -7.23 -1.26 -2.26 120.40 114.89 2rmx s VAL 76 Ca -0.07 -3.57 0.00 0.00 -1.81 0.00 0.00 61.98 56.53 2rmx s VAL 76 Cb -0.02 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2rmx s VAL 76 CO -0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2rmx n GLY 77 N 2.73 1.14 3.72 2.32 0.00 -1.26 -4.92 105.19 108.92 2rmx n GLY 77 Ca 0.11 0.00 -0.30 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 1.63 0.47 -0.02 0.00 -1.26 -4.94 107.32 103.20 2rmx s GLY 78 Ca 0.00 0.05 0.27 0.00 0.00 0.00 0.00 44.72 45.03 2rmx s GLY 78 CO 0.00 0.50 1.74 1.41 0.00 0.00 0.00 173.10 176.75 2rmx h LEU 79 N -1.49 0.00 0.00 0.66 3.38 -2.00 -3.46 115.31 112.40 2rmx h LEU 79 Ca -0.48 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 2rmx h LEU 79 Cb 1.27 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.11 2rmx h LEU 79 CO 0.53 0.00 -0.08 -0.62 0.09 0.00 0.00 178.44 178.36 2rmx n GLU 80 N -3.07 -1.90 -3.69 1.13 -0.58 -1.26 -5.05 120.64 106.23 2rmx n GLU 80 Ca 0.03 -0.62 -0.09 0.00 -0.42 0.00 0.00 57.16 56.05 2rmx n GLU 80 Cb 0.45 -1.03 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 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 -1.56 0.01 -0.06 2.62 -4.23 -1.26 -4.62 115.64 106.54 2rmx s THR 81 Ca 0.29 -0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 60.12 2rmx s THR 81 Cb -0.05 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.25 2rmx s THR 81 CO 0.24 -0.04 0.15 -0.36 -0.54 0.00 0.00 174.62 174.08 2rmx s PHE 82 N -3.85 -0.17 0.21 3.99 0.40 -0.08 -4.91 117.98 113.57 2rmx s PHE 82 Ca 0.08 0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 56.70 2rmx s PHE 82 Cb -0.03 0.03 0.25 0.00 0.51 0.00 0.00 43.02 43.78 2rmx s PHE 82 CO -0.02 -0.10 1.39 -0.25 0.70 0.00 0.00 175.22 176.93 2rmx n ASP 83 N 3.30 -0.54 -2.18 1.36 8.00 -1.26 -1.61 116.55 123.61 2rmx n ASP 83 Ca -0.16 1.56 -0.05 0.00 0.71 0.00 0.00 54.79 56.85 2rmx n ASP 83 Cb 0.57 -0.37 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2rmx n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2rmx n SER 84 N -5.34 -1.43 -0.34 -2.24 7.64 -1.26 -4.37 113.62 106.28 2rmx n SER 84 Ca 0.10 -1.96 0.24 0.00 1.01 0.00 0.00 58.87 58.26 2rmx n SER 84 Cb 0.37 2.37 0.52 0.00 -1.01 0.00 0.00 64.21 66.46 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2rmx h LEU 85 N 0.00 0.44 0.78 -3.43 -0.00 -1.94 0.46 115.31 111.61 2rmx h LEU 85 Ca -0.21 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.73 2rmx h LEU 85 Cb 0.79 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.49 2rmx h LEU 85 CO 0.27 0.05 -0.38 0.74 -0.00 0.00 0.00 178.44 179.12 2rmx h THR 86 N 0.37 0.00 -1.00 0.22 2.02 -1.97 0.34 112.91 112.89 2rmx h THR 86 Ca 0.63 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.84 2rmx h THR 86 Cb 1.62 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 2rmx h THR 86 CO -0.33 0.00 0.63 -0.78 0.37 0.00 0.00 175.52 175.41 2rmx h ASP 87 N -1.12 0.97 0.33 4.18 1.82 -1.70 0.16 116.42 121.07 2rmx h ASP 87 Ca -0.11 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 2rmx h ASP 87 Cb 0.81 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2rmx h ASP 87 CO 0.18 0.56 -0.16 0.25 -1.61 0.00 0.00 179.24 178.46 2rmx h LEU 88 N 1.07 -0.38 0.12 2.28 6.46 -0.85 -2.07 115.31 121.93 2rmx h LEU 88 Ca 0.46 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.25 2rmx h LEU 88 Cb 0.34 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 2rmx h LEU 88 CO -0.22 -0.20 -0.52 0.58 -0.62 0.00 0.00 178.44 177.46 2rmx h VAL 89 N -0.58 0.02 -0.60 1.05 2.07 -0.23 -1.77 116.25 116.21 2rmx h VAL 89 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2rmx h VAL 89 Cb 0.34 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.04 2rmx h VAL 89 CO 0.08 0.00 -0.54 -0.33 0.02 0.00 0.00 177.57 176.79 2rmx h GLU 90 N -0.74 -0.25 -0.13 1.57 5.08 -0.80 1.28 114.58 120.59 2rmx h GLU 90 Ca -0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2rmx h GLU 90 Cb 0.75 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2rmx h GLU 90 CO -0.29 -0.17 0.36 1.25 -1.00 0.00 0.00 179.01 179.17 2rmx h HIS 91 N -0.26 0.00 0.00 4.33 2.76 -1.07 0.37 115.15 121.28 2rmx h HIS 91 Ca 0.12 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.09 2rmx h HIS 91 Cb 0.54 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 2rmx h HIS 91 CO -0.81 0.00 -1.74 1.19 -1.30 0.00 0.00 177.93 175.27 2rmx n PHE 92 N -3.16 0.63 0.33 5.26 3.72 0.37 -2.95 117.46 121.66 2rmx n PHE 92 Ca 0.01 0.21 0.13 0.00 -0.05 0.00 0.00 57.45 57.75 2rmx n PHE 92 Cb 0.45 -1.00 0.57 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.26 116.57 117.80 2rmx h LYS 93 Ca -0.24 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.25 2rmx h LYS 93 Cb 1.69 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.96 2rmx h LYS 93 CO 0.04 0.00 -2.00 0.36 -0.57 0.00 0.00 179.45 177.28 2rmx n LYS 94 N -2.37 0.40 -0.02 3.15 2.85 -1.09 -4.68 118.16 116.40 2rmx n LYS 94 Ca 0.01 0.14 -0.09 0.00 -1.05 0.00 0.00 58.31 57.32 2rmx n LYS 94 Cb 0.19 -1.23 -0.07 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.38 0.94 0.00 0.58 1.35 -1.52 -3.51 112.91 110.37 2rmx h THR 95 Ca -0.43 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 2rmx h THR 95 Cb 1.48 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2rmx h THR 95 CO -0.19 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2rmx n GLY 96 N 1.33 2.65 3.56 5.82 0.00 0.89 -5.05 105.19 114.40 2rmx n GLY 96 Ca -0.06 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.62 4.04 -0.11 -0.61 1.01 -0.86 -4.94 121.20 117.11 2rmx s ILE 97 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2rmx s ILE 97 Cb 0.00 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 2rmx s ILE 97 CO 0.00 0.53 0.02 -0.70 0.00 0.00 0.00 174.94 174.80 2rmx s GLU 98 N -0.10 3.20 0.13 2.79 2.12 -1.26 -0.08 118.70 125.49 2rmx s GLU 98 Ca 0.03 -0.37 -0.11 0.00 0.36 0.00 0.00 54.97 54.88 2rmx s GLU 98 Cb -0.13 -2.90 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 2rmx s GLU 98 CO 0.02 0.64 0.48 -1.21 -0.54 0.00 0.00 175.26 174.65 2rmx s GLU 99 N -0.69 3.85 0.18 4.30 2.02 0.43 -4.97 118.70 123.82 2rmx s GLU 99 Ca 0.11 0.30 -0.27 0.00 0.02 0.00 0.00 54.97 55.13 2rmx s GLU 99 Cb -0.12 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2rmx s GLU 99 CO 0.02 0.49 1.54 0.00 0.02 0.00 0.00 175.26 177.34 2rmx h ALA 100 N 3.48 -0.37 0.14 5.21 0.00 -1.99 -2.17 119.26 123.56 2rmx h ALA 100 Ca -0.48 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2rmx h ALA 100 Cb 1.19 1.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 2rmx h ALA 100 CO 0.67 -0.88 -0.18 0.77 0.00 0.00 0.00 179.25 179.63 2rmx h SER 101 N -0.00 -0.50 0.00 0.00 0.02 -2.06 -3.47 113.55 107.54 2rmx h SER 101 Ca 0.21 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2rmx h SER 101 Cb 0.46 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2rmx h SER 101 CO -0.95 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 175.13 2rmx n GLY 102 N -1.19 0.07 3.14 -3.77 0.00 -0.81 -5.15 105.19 97.49 2rmx n GLY 102 Ca -0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2rmx n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rmx n ALA 103 N 0.00 -3.48 -3.71 4.61 0.00 -1.26 -4.38 120.51 112.29 2rmx n ALA 103 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 2rmx n ALA 103 Cb 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.95 2rmx n ALA 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2rmx s PHE 104 N -1.96 1.67 -0.07 0.00 0.40 -1.26 -0.43 117.98 116.34 2rmx s PHE 104 Ca 0.53 -0.77 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 2rmx s PHE 104 Cb -0.43 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 2rmx s PHE 104 CO 0.68 -0.45 0.44 0.08 0.70 0.00 0.00 175.22 176.67 2rmx s VAL 105 N 1.17 5.11 -0.13 -0.44 1.01 0.89 -4.94 120.40 123.07 2rmx s VAL 105 Ca -0.04 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2rmx s VAL 105 Cb -0.14 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2rmx s VAL 105 CO -0.03 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 174.98 2rmx s TYR 106 N -0.11 2.58 -1.06 5.22 2.02 -1.26 -2.02 117.35 122.73 2rmx s TYR 106 Ca 0.24 -1.25 -0.06 0.00 -0.37 0.00 0.00 57.07 55.64 2rmx s TYR 106 Cb -0.16 -1.75 0.27 0.00 -0.40 0.00 0.00 41.96 39.92 2rmx s TYR 106 CO 0.11 -0.56 1.11 1.28 -1.57 0.00 0.00 175.55 175.92 2rmx n LEU 107 N 3.96 5.37 0.05 -1.29 4.32 -1.26 -4.17 117.00 123.99 2rmx n LEU 107 Ca -0.20 -5.10 -0.07 0.00 -0.02 0.00 0.00 56.01 50.62 2rmx n LEU 107 Cb 0.52 -1.35 -0.05 0.00 -1.62 0.00 0.00 43.42 40.92 2rmx n LEU 107 CO 0.27 1.47 0.23 0.03 -1.22 0.00 0.00 177.39 178.17 2rmx h ARG 108 N 6.24 -0.23 -4.64 3.23 2.47 -1.74 -3.42 114.38 116.30 2rmx h ARG 108 Ca 0.18 0.02 -0.36 0.00 -1.26 0.00 0.00 59.98 58.55 2rmx h ARG 108 Cb 0.81 0.05 -0.27 0.00 -1.65 0.00 0.00 29.97 28.91 2rmx h ARG 108 CO 1.04 0.06 -0.77 1.14 0.56 0.00 0.00 179.97 182.00 2rmx s GLN 109 N -2.76 0.63 0.00 0.04 0.00 -1.13 -5.05 119.66 111.39 2rmx s GLN 109 Ca -0.08 -0.37 0.00 0.00 -0.00 0.00 0.00 55.36 54.91 2rmx s GLN 109 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 33.01 32.42 2rmx s GLN 109 CO 0.29 0.16 0.00 -0.35 0.00 0.00 0.00 175.29 175.39 2rmx n PRO 110 N 2.64 0.07 -3.65 9.60 -0.04 -1.26 -2.32 135.00 140.04 2rmx n PRO 110 Ca -0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.05 2rmx n PRO 110 Cb 0.57 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.43 -0.16 0.54 5.04 -0.66 -4.53 117.35 117.55 2rmx s TYR 111 Ca 0.00 -0.44 -0.14 0.00 -2.44 0.00 0.00 57.07 54.05 2rmx s TYR 111 Cb 0.00 -0.78 -0.05 0.00 0.35 0.00 0.00 41.96 41.49 2rmx s TYR 111 CO 0.00 -0.52 0.32 0.71 -1.34 0.00 0.00 175.55 174.72 2rmx s TYR 112 N 2.06 3.45 -0.59 4.97 2.02 -1.26 -4.84 117.35 123.15 2rmx s TYR 112 Ca 0.01 0.61 0.25 0.00 -0.37 0.00 0.00 57.07 57.57 2rmx s TYR 112 Cb -0.16 -2.38 0.51 0.00 -0.40 0.00 0.00 41.96 39.53 2rmx s TYR 112 CO -0.08 0.20 1.56 0.66 -1.57 0.00 0.00 175.55 176.31 2rmx h SER 113 N 6.79 0.00 -1.25 2.29 4.64 -1.97 -3.49 113.55 120.56 2rmx h SER 113 Ca -0.40 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2rmx h SER 113 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2rmx h SER 113 CO 0.75 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2rmx n GLY 114 N 1.25 -0.02 3.77 -0.77 0.00 -1.26 -5.02 105.19 103.14 2rmx n GLY 114 Ca 0.04 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.31 4.11 -0.02 1.61 0.04 -1.26 -4.98 135.00 130.19 2rmx s PRO 115 Ca 0.00 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 2rmx s PRO 115 Cb 0.00 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 2rmx s PRO 115 CO 0.00 -0.29 -0.14 -1.13 0.04 0.00 0.00 177.00 175.47 2rmx n SER 116 N 0.22 1.43 -4.64 6.66 3.41 -1.26 -4.97 113.62 114.47 2rmx n SER 116 Ca 0.03 0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.43 2rmx n SER 116 Cb 0.46 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2rmx n SER 116 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rmx s SER 117 N -5.94 6.42 0.00 4.04 1.04 -1.26 -5.30 113.70 112.71 2rmx s SER 117 Ca -0.12 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2rmx s SER 117 Cb 0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2rmx s SER 117 CO 0.18 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.84