#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1re5 n GLN 4 N 0.00 0.22 -0.04 3.52 10.64 -1.26 -4.77 117.38 125.69 1re5 n GLN 4 Ca 0.00 -0.57 -0.10 0.00 -1.83 0.00 0.00 57.00 54.50 1re5 n GLN 4 Cb 0.00 -0.80 -0.04 0.00 -0.86 0.00 0.00 30.24 28.54 1re5 n GLN 4 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1re5 h LEU 5 N 0.00 -1.11 -1.34 2.61 3.38 -2.08 -2.07 115.31 114.70 1re5 h LEU 5 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1re5 h LEU 5 Cb 0.37 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1re5 h LEU 5 CO 0.00 -0.36 0.00 0.49 0.09 0.00 0.00 178.44 178.66 1re5 n PHE 6 N -5.42 0.34 0.12 1.13 3.01 -1.26 -4.31 117.46 111.08 1re5 n PHE 6 Ca -0.02 -0.17 -0.02 0.00 1.01 0.00 0.00 57.45 58.25 1re5 n PHE 6 Cb 0.34 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.00 1re5 n PHE 6 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1re5 h ASP 7 N 2.48 0.11 0.30 4.37 3.58 -1.67 -0.36 116.42 125.23 1re5 h ASP 7 Ca 0.00 -0.06 -0.18 0.00 0.42 0.00 0.00 57.03 57.21 1re5 h ASP 7 Cb 0.55 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1re5 h ASP 7 CO 0.00 0.64 -0.74 0.00 -2.88 0.00 0.00 179.24 176.26 1re5 h ALA 8 N 1.36 0.60 0.06 -0.78 0.00 -1.75 -0.32 119.26 118.43 1re5 h ALA 8 Ca -0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 1re5 h ALA 8 Cb 1.00 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1re5 h ALA 8 CO 0.08 0.77 -1.08 -0.92 0.00 0.00 0.00 179.25 178.10 1re5 h TYR 9 N 0.25 0.60 0.00 0.00 3.20 -1.80 -3.38 116.97 115.84 1re5 h TYR 9 Ca -0.03 -0.37 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 1re5 h TYR 9 Cb 1.31 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1re5 h TYR 9 CO 0.04 1.23 -1.82 1.19 -1.64 0.00 0.00 178.16 177.15 1re5 n PHE 10 N -3.68 0.23 -4.35 -3.82 0.99 -0.16 -4.98 117.46 101.70 1re5 n PHE 10 Ca -0.08 0.07 -0.27 0.00 -0.00 0.00 0.00 57.45 57.17 1re5 n PHE 10 Cb 0.92 -0.66 -0.13 0.00 -1.00 0.00 0.00 39.48 38.61 1re5 n PHE 10 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1re5 s THR 11 N -3.37 2.03 -0.22 4.37 2.01 -0.13 -3.77 115.64 116.56 1re5 s THR 11 Ca -0.07 -1.67 -0.24 0.00 0.31 0.00 0.00 61.69 60.02 1re5 s THR 11 Cb 0.12 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1re5 s THR 11 CO 0.88 0.02 0.77 0.00 -0.69 0.00 0.00 174.62 175.60 1re5 s ALA 12 N -1.11 3.59 0.32 7.40 0.00 -1.26 -4.58 121.76 126.12 1re5 s ALA 12 Ca 0.11 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1re5 s ALA 12 Cb -0.10 -3.19 0.91 0.00 0.00 0.00 0.00 23.12 20.74 1re5 s ALA 12 CO 0.05 -0.78 1.57 -1.00 0.00 0.00 0.00 175.76 175.60 1re5 h PRO 13 N 7.59 0.01 -0.94 0.00 0.13 -1.90 0.20 132.00 137.09 1re5 h PRO 13 Ca -0.26 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1re5 h PRO 13 Cb 1.11 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1re5 h PRO 13 CO 0.83 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 179.16 1re5 h ALA 14 N 1.99 1.20 -0.25 -0.56 0.00 -2.00 -2.10 119.26 117.54 1re5 h ALA 14 Ca 0.67 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.41 1re5 h ALA 14 Cb 1.50 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1re5 h ALA 14 CO -0.89 0.67 -0.06 1.98 0.00 0.00 0.00 179.25 180.96 1re5 h MET 15 N 1.30 0.49 -0.58 0.00 -1.53 -1.04 -2.89 114.93 110.68 1re5 h MET 15 Ca 0.34 -0.18 0.05 0.00 -3.44 0.00 0.00 59.70 56.46 1re5 h MET 15 Cb -0.03 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 1re5 h MET 15 CO -0.06 0.70 0.39 -0.09 0.14 0.00 0.00 176.91 177.99 1re5 h ARG 16 N 0.23 0.58 -0.60 0.39 9.65 -1.11 -1.16 114.38 122.37 1re5 h ARG 16 Ca 0.06 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1re5 h ARG 16 Cb 0.52 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 1re5 h ARG 16 CO 0.02 0.39 0.36 1.49 2.80 0.00 0.00 179.97 185.04 1re5 h GLU 17 N 0.60 0.82 -0.43 0.20 4.57 -1.18 -2.60 114.58 116.56 1re5 h GLU 17 Ca 0.24 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1re5 h GLU 17 Cb 0.21 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1re5 h GLU 17 CO -0.07 0.59 0.14 0.82 -1.18 0.00 0.00 179.01 179.31 1re5 h ILE 18 N 0.82 1.22 -2.87 2.32 2.04 -1.11 -3.29 117.51 116.63 1re5 h ILE 18 Ca 0.22 -0.72 -0.80 0.00 1.00 0.00 0.00 64.86 64.56 1re5 h ILE 18 Cb -0.02 0.88 -0.29 0.00 -0.74 0.00 0.00 36.82 36.65 1re5 h ILE 18 CO -0.04 0.26 0.71 0.49 0.00 0.00 0.00 178.15 179.56 1re5 n PHE 19 N -4.57 2.32 -4.37 1.37 3.72 -0.62 -4.21 117.46 111.10 1re5 n PHE 19 Ca 0.00 -2.67 -0.20 0.00 -0.05 0.00 0.00 57.45 54.54 1re5 n PHE 19 Cb 0.18 -1.21 -0.09 0.00 -0.94 0.00 0.00 39.48 37.41 1re5 n PHE 19 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1re5 s SER 20 N -1.83 1.77 0.22 4.37 1.04 -1.15 -4.81 113.70 113.31 1re5 s SER 20 Ca 0.32 -1.53 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 1re5 s SER 20 Cb 0.05 0.32 0.18 0.00 0.10 0.00 0.00 66.02 66.67 1re5 s SER 20 CO 0.10 -0.84 1.83 0.44 0.98 0.00 0.00 173.24 175.75 1re5 h ASP 21 N 2.16 1.09 -0.17 7.02 3.32 -1.91 -1.23 116.42 126.70 1re5 h ASP 21 Ca -0.35 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.59 1re5 h ASP 21 Cb 1.25 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1re5 h ASP 21 CO 0.56 0.90 0.06 -0.09 -1.72 0.00 0.00 179.24 178.95 1re5 h ARG 22 N 1.19 0.14 -0.85 3.56 2.43 -1.93 -0.29 114.38 118.63 1re5 h ARG 22 Ca 0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1re5 h ARG 22 Cb 0.08 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1re5 h ARG 22 CO -0.04 0.09 0.50 0.78 -1.51 0.00 0.00 179.97 179.79 1re5 h GLY 23 N 0.14 1.24 0.79 2.80 0.00 -1.64 0.18 103.07 106.58 1re5 h GLY 23 Ca 0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1re5 h GLY 23 CO -0.08 0.51 -0.02 -0.09 0.00 0.00 0.00 176.54 176.86 1re5 h ARG 24 N 1.17 -0.05 0.06 4.80 2.43 -0.91 -2.20 114.38 119.68 1re5 h ARG 24 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1re5 h ARG 24 Cb -0.03 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1re5 h ARG 24 CO -0.06 0.17 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.45 1re5 h LEU 25 N -0.26 -0.12 -1.22 3.80 4.07 -0.88 -2.80 115.31 117.89 1re5 h LEU 25 Ca -0.01 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.06 1re5 h LEU 25 Cb 0.24 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.96 1re5 h LEU 25 CO 0.01 -0.08 0.57 -0.61 -1.08 0.00 0.00 178.44 177.25 1re5 h GLN 26 N -0.12 0.83 -0.34 1.13 5.75 -0.61 -0.59 115.11 121.17 1re5 h GLN 26 Ca -0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1re5 h GLN 26 Cb 0.11 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1re5 h GLN 26 CO -0.00 0.55 0.20 0.78 -2.65 0.00 0.00 178.83 177.71 1re5 h GLY 27 N 0.86 0.47 0.98 2.39 0.00 -1.13 0.10 103.07 106.73 1re5 h GLY 27 Ca 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 1re5 h GLY 27 CO -0.18 0.14 0.03 -0.33 0.00 0.00 0.00 176.54 176.20 1re5 h MET 28 N 0.42 0.80 -0.85 4.80 2.86 -1.16 -2.56 114.93 119.25 1re5 h MET 28 Ca 0.13 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1re5 h MET 28 Cb -0.01 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1re5 h MET 28 CO -0.05 0.84 0.48 -0.07 1.06 0.00 0.00 176.91 179.18 1re5 h LEU 29 N 0.66 1.05 -1.21 1.22 3.38 -0.86 -0.87 115.31 118.68 1re5 h LEU 29 Ca 0.13 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1re5 h LEU 29 Cb 0.47 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1re5 h LEU 29 CO 0.02 0.84 0.55 0.44 0.09 0.00 0.00 178.44 180.37 1re5 h ASP 30 N 1.18 0.87 0.04 -0.43 5.19 -0.62 -0.24 116.42 122.42 1re5 h ASP 30 Ca 0.30 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1re5 h ASP 30 Cb 0.01 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1re5 h ASP 30 CO -0.05 0.59 -0.02 0.15 -3.12 0.00 0.00 179.24 176.79 1re5 h PHE 31 N 1.01 -0.05 -0.44 4.55 3.57 -0.80 -1.20 116.94 123.58 1re5 h PHE 31 Ca 0.34 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1re5 h PHE 31 Cb 0.07 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1re5 h PHE 31 CO -0.00 0.17 0.19 0.93 -2.23 0.00 0.00 178.31 177.37 1re5 h GLU 32 N -0.27 0.37 -0.34 1.11 4.39 -0.52 0.22 114.58 119.54 1re5 h GLU 32 Ca -0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1re5 h GLU 32 Cb 0.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1re5 h GLU 32 CO 0.01 0.24 0.15 0.00 -1.16 0.00 0.00 179.01 178.25 1re5 h ALA 33 N 1.27 0.44 0.00 3.43 0.00 -1.02 -1.94 119.26 121.44 1re5 h ALA 33 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1re5 h ALA 33 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1re5 h ALA 33 CO -0.18 0.02 -0.24 0.00 0.00 0.00 0.00 179.25 178.86 1re5 h ALA 34 N 1.00 1.59 0.11 0.00 0.00 -0.82 -2.19 119.26 118.94 1re5 h ALA 34 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1re5 h ALA 34 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1re5 h ALA 34 CO -0.01 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.73 1re5 h LEU 35 N 0.00 -0.12 -0.70 0.00 6.46 0.08 -1.20 115.31 119.84 1re5 h LEU 35 Ca -0.00 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1re5 h LEU 35 Cb 0.42 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1re5 h LEU 35 CO 0.03 0.16 0.44 0.00 -0.62 0.00 0.00 178.44 178.45 1re5 h ALA 36 N 0.44 0.92 -0.56 1.25 0.00 -1.20 0.07 119.26 120.19 1re5 h ALA 36 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1re5 h ALA 36 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1re5 h ALA 36 CO 0.02 0.21 0.34 -0.09 0.00 0.00 0.00 179.25 179.73 1re5 h ARG 37 N 0.85 0.76 -0.07 0.00 2.43 -1.34 -0.00 114.38 117.01 1re5 h ARG 37 Ca 0.28 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.21 1re5 h ARG 37 Cb 0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1re5 h ARG 37 CO -0.11 0.55 -0.71 0.00 -1.51 0.00 0.00 179.97 178.19 1re5 h ALA 38 N 1.17 0.66 0.00 2.80 0.00 -0.70 -3.04 119.26 120.14 1re5 h ALA 38 Ca 0.20 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1re5 h ALA 38 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1re5 h ALA 38 CO -0.04 0.77 -0.51 0.93 0.00 0.00 0.00 179.25 180.41 1re5 h GLU 39 N 0.23 0.00 -0.34 0.00 5.08 -0.78 -3.15 114.58 115.63 1re5 h GLU 39 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1re5 h GLU 39 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1re5 h GLU 39 CO 0.12 0.51 0.07 0.00 -1.00 0.00 0.00 179.01 178.71 1re5 h ALA 40 N 1.49 0.44 0.00 3.43 0.00 -0.95 0.28 119.26 123.96 1re5 h ALA 40 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1re5 h ALA 40 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1re5 h ALA 40 CO 0.07 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1re5 n SER 41 N -4.62 0.00 -0.14 0.00 3.41 -1.16 -1.01 113.62 110.11 1re5 n SER 41 Ca -0.02 -1.10 0.03 0.00 -0.26 0.00 0.00 58.87 57.52 1re5 n SER 41 Cb 0.20 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1re5 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1re5 n ALA 42 N -0.67 2.54 -1.66 7.33 0.00 -0.73 -4.99 120.51 122.33 1re5 n ALA 42 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1re5 n ALA 42 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1re5 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1re5 n GLY 43 N 0.59 0.54 0.01 0.00 0.00 -0.18 -4.96 105.19 101.19 1re5 n GLY 43 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.30 1re5 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1re5 n LEU 44 N 0.00 0.04 -3.93 0.99 7.99 0.01 -4.98 117.00 117.12 1re5 n LEU 44 Ca 0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 56.01 55.78 1re5 n LEU 44 Cb 0.39 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.54 1re5 n LEU 44 CO 0.00 0.01 -0.41 -0.69 -1.51 0.00 0.00 177.39 174.79 1re5 s VAL 45 N -2.97 0.55 0.16 4.08 1.01 -1.21 -4.93 120.40 117.09 1re5 s VAL 45 Ca -0.05 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 1re5 s VAL 45 Cb 0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 1re5 s VAL 45 CO 0.60 0.20 1.47 -2.16 0.00 0.00 0.00 175.10 175.21 1re5 s PRO 46 N 0.50 4.27 0.65 2.72 0.04 -1.26 -4.34 135.00 137.58 1re5 s PRO 46 Ca -0.07 2.22 0.28 0.00 0.04 0.00 0.00 61.00 63.47 1re5 s PRO 46 Cb -0.10 -3.19 1.47 0.00 0.04 0.00 0.00 34.50 32.72 1re5 s PRO 46 CO 0.00 -0.50 1.84 0.45 0.04 0.00 0.00 177.00 178.84 1re5 h HIS 47 N 6.50 0.00 -0.03 0.56 3.86 -1.97 0.22 115.15 124.28 1re5 h HIS 47 Ca -0.43 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.64 1re5 h HIS 47 Cb 1.21 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 1re5 h HIS 47 CO 0.64 0.00 -0.61 0.66 0.86 0.00 0.00 177.93 179.49 1re5 h SER 48 N 0.00 0.11 0.24 2.45 4.64 -2.01 -3.09 113.55 115.89 1re5 h SER 48 Ca 0.06 -0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1re5 h SER 48 Cb 0.90 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1re5 h SER 48 CO -0.00 0.69 -0.98 0.00 -0.87 0.00 0.00 176.83 175.68 1re5 h ALA 49 N 1.31 0.29 -0.70 5.18 0.00 -0.94 -3.06 119.26 121.34 1re5 h ALA 49 Ca -0.01 -0.71 0.13 0.00 0.00 0.00 0.00 54.91 54.32 1re5 h ALA 49 Cb 1.09 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1re5 h ALA 49 CO 0.09 0.78 0.25 0.28 0.00 0.00 0.00 179.25 180.64 1re5 h VAL 50 N 0.28 0.67 -0.63 0.00 2.07 -1.44 0.12 116.25 117.31 1re5 h VAL 50 Ca -0.10 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1re5 h VAL 50 Cb 1.62 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1re5 h VAL 50 CO 0.18 0.07 0.17 0.00 0.02 0.00 0.00 177.57 178.01 1re5 h ALA 51 N 1.51 0.83 -0.44 1.67 0.00 -1.55 -1.83 119.26 119.45 1re5 h ALA 51 Ca 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1re5 h ALA 51 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1re5 h ALA 51 CO -0.39 0.53 0.20 0.00 0.00 0.00 0.00 179.25 179.60 1re5 h ALA 52 N 1.06 0.57 0.25 0.00 0.00 -1.00 -2.66 119.26 117.48 1re5 h ALA 52 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1re5 h ALA 52 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1re5 h ALA 52 CO -0.00 0.15 -0.12 0.82 0.00 0.00 0.00 179.25 180.09 1re5 h ILE 53 N 0.57 0.79 -1.00 0.00 2.04 -0.72 -3.06 117.51 116.13 1re5 h ILE 53 Ca 0.15 -0.30 0.17 0.00 1.00 0.00 0.00 64.86 65.87 1re5 h ILE 53 Cb 0.14 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 1re5 h ILE 53 CO -0.02 0.07 0.62 -0.33 0.00 0.00 0.00 178.15 178.49 1re5 h GLU 54 N -0.50 0.81 0.00 2.37 5.08 -1.32 0.16 114.58 121.19 1re5 h GLU 54 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1re5 h GLU 54 Cb 0.37 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1re5 h GLU 54 CO 0.06 0.54 -0.06 0.00 -1.00 0.00 0.00 179.01 178.55 1re5 h ALA 55 N 1.61 1.18 0.00 3.43 0.00 -1.37 -2.35 119.26 121.76 1re5 h ALA 55 Ca 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1re5 h ALA 55 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1re5 h ALA 55 CO -0.33 0.07 -0.98 0.00 0.00 0.00 0.00 179.25 178.01 1re5 n ALA 56 N -2.20 4.53 -1.22 0.00 0.00 0.49 -4.58 120.51 117.52 1re5 n ALA 56 Ca -0.02 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 1re5 n ALA 56 Cb 0.19 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 1re5 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1re5 s GLN 58 N 0.93 1.59 0.34 0.00 -0.21 -1.26 -4.71 119.66 116.33 1re5 s GLN 58 Ca 0.66 -0.50 0.14 0.00 0.02 0.00 0.00 55.36 55.68 1re5 s GLN 58 Cb 0.27 -1.97 1.05 0.00 1.00 0.00 0.00 33.01 33.37 1re5 s GLN 58 CO -0.05 -0.38 1.68 0.00 -2.12 0.00 0.00 175.29 174.42 1re5 h ALA 59 N 8.11 1.95 -0.92 6.09 0.00 -1.89 -1.43 119.26 131.17 1re5 h ALA 59 Ca -0.27 0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.04 1re5 h ALA 59 Cb 1.12 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1re5 h ALA 59 CO 0.42 -0.52 0.62 0.93 0.00 0.00 0.00 179.25 180.70 1re5 h GLU 60 N 0.39 0.27 0.00 0.00 3.07 -1.95 -1.85 114.58 114.50 1re5 h GLU 60 Ca 0.71 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 1re5 h GLU 60 Cb 1.58 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 1re5 h GLU 60 CO -0.56 0.18 0.00 0.54 -1.40 0.00 0.00 179.01 177.77 1re5 n ARG 61 N -4.45 0.71 -4.39 2.33 1.74 -0.54 -4.85 116.66 107.21 1re5 n ARG 61 Ca 0.20 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.02 1re5 n ARG 61 Cb 0.81 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.78 1re5 n ARG 61 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1re5 s TYR 62 N -2.00 2.40 -0.47 -1.55 1.51 -0.70 -5.10 117.35 111.44 1re5 s TYR 62 Ca 0.25 -0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 55.86 1re5 s TYR 62 Cb 0.12 -1.15 0.08 0.00 -0.11 0.00 0.00 41.96 40.90 1re5 s TYR 62 CO 0.19 0.55 0.38 0.34 -1.11 0.00 0.00 175.55 175.91 1re5 s ASP 63 N -2.94 6.04 0.15 2.29 2.15 -1.26 -4.96 116.67 118.14 1re5 s ASP 63 Ca 0.24 -1.45 -0.18 0.00 0.43 0.00 0.00 52.55 51.59 1re5 s ASP 63 Cb -0.07 -2.14 0.06 0.00 -0.30 0.00 0.00 42.92 40.46 1re5 s ASP 63 CO 0.13 -0.66 1.69 0.74 -0.17 0.00 0.00 175.17 176.90 1re5 h THR 64 N 5.85 0.71 -0.59 1.71 2.02 -1.98 -1.01 112.91 119.62 1re5 h THR 64 Ca -0.27 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 66.99 1re5 h THR 64 Cb 1.10 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 1re5 h THR 64 CO 0.88 0.01 0.17 1.23 0.37 0.00 0.00 175.52 178.17 1re5 h GLY 65 N 0.05 0.78 0.90 2.16 0.00 -2.00 0.19 103.07 105.15 1re5 h GLY 65 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1re5 h GLY 65 CO -0.31 -0.07 0.07 0.00 0.00 0.00 0.00 176.54 176.23 1re5 h ALA 66 N 1.44 0.42 -0.82 3.60 0.00 -1.84 -2.98 119.26 119.08 1re5 h ALA 66 Ca 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1re5 h ALA 66 Cb 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1re5 h ALA 66 CO -0.35 0.09 0.47 -0.07 0.00 0.00 0.00 179.25 179.39 1re5 h LEU 67 N 0.35 1.00 -0.74 0.00 3.38 -0.40 -2.73 115.31 116.16 1re5 h LEU 67 Ca 0.10 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1re5 h LEU 67 Cb 0.31 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1re5 h LEU 67 CO 0.00 0.79 0.36 0.00 0.09 0.00 0.00 178.44 179.68 1re5 h ALA 68 N 1.25 1.03 -0.10 1.53 0.00 -0.50 0.66 119.26 123.14 1re5 h ALA 68 Ca 0.29 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1re5 h ALA 68 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1re5 h ALA 68 CO -0.05 -0.06 -0.52 -0.91 0.00 0.00 0.00 179.25 177.70 1re5 h ASN 69 N 0.60 0.29 -0.36 0.00 2.35 -1.40 -2.85 115.58 114.21 1re5 h ASN 69 Ca 0.37 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 1re5 h ASN 69 Cb 0.43 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1re5 h ASN 69 CO -0.29 0.77 -0.19 0.00 -1.65 0.00 0.00 177.43 176.06 1re5 h ALA 70 N 1.24 0.50 -0.83 -0.83 0.00 -1.02 -2.96 119.26 115.36 1re5 h ALA 70 Ca 0.01 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1re5 h ALA 70 Cb 1.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1re5 h ALA 70 CO 0.08 0.45 0.54 0.82 0.00 0.00 0.00 179.25 181.14 1re5 h ILE 71 N 0.54 0.99 0.00 0.00 2.04 -0.77 0.43 117.51 120.75 1re5 h ILE 71 Ca 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1re5 h ILE 71 Cb 0.74 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1re5 h ILE 71 CO 0.06 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1re5 h ALA 72 N 1.57 1.00 0.00 1.87 0.00 -1.33 -0.90 119.26 121.47 1re5 h ALA 72 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1re5 h ALA 72 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1re5 h ALA 72 CO -0.14 0.00 -1.55 2.41 0.00 0.00 0.00 179.25 179.97 1re5 n THR 73 N -2.54 0.41 0.12 0.00 -1.04 -0.04 -4.66 114.28 106.52 1re5 n THR 73 Ca -0.02 -0.32 -0.20 0.00 -2.04 0.00 0.00 64.05 61.47 1re5 n THR 73 Cb 0.05 -0.43 -0.14 0.00 -1.82 0.00 0.00 70.33 68.00 1re5 n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1re5 h ALA 74 N 0.57 0.00 0.00 2.41 0.00 -0.54 -3.48 119.26 118.22 1re5 h ALA 74 Ca -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1re5 h ALA 74 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1re5 h ALA 74 CO 0.01 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1re5 n GLY 75 N 1.54 0.12 3.76 0.00 0.00 -0.39 -5.02 105.19 105.21 1re5 n GLY 75 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1re5 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1re5 s ASN 76 N -2.16 0.13 -0.06 1.61 2.20 -1.26 -5.08 114.94 110.33 1re5 s ASN 76 Ca 0.00 -1.19 0.19 0.00 -0.94 0.00 0.00 52.86 50.92 1re5 s ASN 76 Cb 0.00 0.82 -0.24 0.00 -2.00 0.00 0.00 41.25 39.84 1re5 s ASN 76 CO 0.00 -1.63 0.44 -1.54 -2.94 0.00 0.00 177.10 171.43 1re5 n SER 77 N -1.39 0.29 0.04 3.54 3.41 -1.26 -4.56 113.62 113.69 1re5 n SER 77 Ca -0.07 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1re5 n SER 77 Cb 0.60 1.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.47 1re5 n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1re5 h ALA 78 N 1.43 -0.05 -0.93 7.33 0.00 -1.98 -2.73 119.26 122.33 1re5 h ALA 78 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1re5 h ALA 78 Cb 1.67 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1re5 h ALA 78 CO 0.03 -0.46 0.60 -0.84 0.00 0.00 0.00 179.25 178.58 1re5 h ILE 79 N -0.18 1.25 -0.01 0.00 3.07 -1.93 0.12 117.51 119.82 1re5 h ILE 79 Ca -0.00 -0.48 -0.12 0.00 1.55 0.00 0.00 64.86 65.81 1re5 h ILE 79 Cb 0.17 -0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 36.59 1re5 h ILE 79 CO 0.01 0.24 -0.54 -0.65 -1.05 0.00 0.00 178.15 176.16 1re5 h PRO 80 N 1.27 0.03 -0.04 0.16 0.11 -1.80 -1.79 132.00 129.94 1re5 h PRO 80 Ca 0.34 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1re5 h PRO 80 Cb -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 1re5 h PRO 80 CO -0.07 0.56 -0.04 1.25 -0.21 0.00 0.00 178.00 179.49 1re5 h LEU 81 N 0.02 0.11 -1.32 2.35 5.85 -1.04 -1.89 115.31 119.39 1re5 h LEU 81 Ca -0.00 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1re5 h LEU 81 Cb 0.96 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1re5 h LEU 81 CO 0.07 0.58 0.47 0.58 -0.34 0.00 0.00 178.44 179.80 1re5 h VAL 82 N -0.35 1.15 -0.13 1.05 2.07 -0.74 0.24 116.25 119.53 1re5 h VAL 82 Ca 0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1re5 h VAL 82 Cb 0.55 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1re5 h VAL 82 CO 0.01 0.17 0.03 0.50 0.02 0.00 0.00 177.57 178.30 1re5 h LYS 83 N 0.91 0.22 -0.60 1.57 3.64 -1.27 0.28 116.57 121.32 1re5 h LYS 83 Ca 0.27 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1re5 h LYS 83 Cb -0.04 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1re5 h LYS 83 CO -0.07 0.39 0.22 0.00 -2.27 0.00 0.00 179.45 177.72 1re5 h ALA 84 N 0.82 1.26 -0.54 5.00 0.00 -0.72 -1.75 119.26 123.32 1re5 h ALA 84 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1re5 h ALA 84 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1re5 h ALA 84 CO 0.00 0.54 0.18 1.25 0.00 0.00 0.00 179.25 181.22 1re5 h LEU 85 N 0.87 0.79 -0.87 0.00 5.85 -0.29 -2.61 115.31 119.04 1re5 h LEU 85 Ca 0.20 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1re5 h LEU 85 Cb 0.20 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1re5 h LEU 85 CO -0.01 0.78 0.56 1.23 -0.34 0.00 0.00 178.44 180.65 1re5 h GLY 86 N 0.75 1.25 2.00 3.75 0.00 -0.30 -1.70 103.07 108.82 1re5 h GLY 86 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1re5 h GLY 86 CO -0.01 0.48 0.00 0.07 0.00 0.00 0.00 176.54 177.08 1re5 h LYS 87 N 1.19 0.00 0.12 4.80 5.09 -1.11 -1.74 116.57 124.92 1re5 h LYS 87 Ca 0.32 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.73 1re5 h LYS 87 Cb -0.10 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.22 1re5 h LYS 87 CO -0.06 0.00 -1.74 0.28 -2.09 0.00 0.00 179.45 175.84 1re5 h VAL 88 N 0.00 0.91 0.00 0.07 2.07 -1.00 -3.30 116.25 115.00 1re5 h VAL 88 Ca 0.00 -2.59 -0.07 0.00 0.82 0.00 0.00 66.70 64.86 1re5 h VAL 88 Cb 0.45 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1re5 h VAL 88 CO 0.00 0.81 -0.34 0.40 0.02 0.00 0.00 177.57 178.46 1re5 h ILE 89 N 0.07 0.77 -0.35 4.57 2.04 -1.13 -3.13 117.51 120.34 1re5 h ILE 89 Ca -0.32 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.04 1re5 h ILE 89 Cb 2.04 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 1re5 h ILE 89 CO 0.13 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.66 1re5 h ALA 90 N 1.66 0.47 -0.85 1.87 0.00 -1.41 -1.43 119.26 119.57 1re5 h ALA 90 Ca -0.00 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.89 1re5 h ALA 90 Cb 0.89 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1re5 h ALA 90 CO 0.04 0.19 0.32 1.15 0.00 0.00 0.00 179.25 180.95 1re5 h THR 91 N 0.43 0.49 0.00 0.00 2.02 -1.61 -3.01 112.91 111.22 1re5 h THR 91 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1re5 h THR 91 Cb 0.38 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1re5 h THR 91 CO 0.01 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1re5 n GLY 92 N -1.34 -0.48 3.08 2.16 0.00 -1.16 -4.81 105.19 102.64 1re5 n GLY 92 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1re5 n GLY 92 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1re5 n VAL 93 N -2.29 3.37 -0.33 1.61 0.31 -0.55 -4.95 118.33 115.50 1re5 n VAL 93 Ca 0.00 -5.23 0.24 0.00 -0.01 0.00 0.00 64.34 59.35 1re5 n VAL 93 Cb 0.00 -2.36 0.48 0.00 -0.91 0.00 0.00 33.84 31.05 1re5 n VAL 93 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1re5 h PRO 94 N 5.89 0.25 -0.07 5.55 0.11 -1.59 0.43 132.00 142.56 1re5 h PRO 94 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1re5 h PRO 94 Cb 0.79 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1re5 h PRO 94 CO 0.92 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 1re5 n GLU 95 N -5.10 1.23 -0.00 1.05 0.00 -1.26 -3.05 120.64 113.50 1re5 n GLU 95 Ca 0.32 -0.35 0.01 0.00 0.00 0.00 0.00 57.16 57.14 1re5 n GLU 95 Cb 1.01 -1.22 -0.11 0.00 0.00 0.00 0.00 31.44 31.12 1re5 n GLU 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1re5 n ALA 96 N -0.34 2.04 -0.35 -1.84 0.00 0.14 -4.36 120.51 115.80 1re5 n ALA 96 Ca 0.10 -0.70 0.25 0.00 0.00 0.00 0.00 53.44 53.09 1re5 n ALA 96 Cb 0.12 -0.75 0.53 0.00 0.00 0.00 0.00 19.45 19.34 1re5 n ALA 96 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1re5 h GLU 97 N 0.00 0.33 0.00 0.00 4.81 -1.62 -1.06 114.58 117.04 1re5 h GLU 97 Ca -0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1re5 h GLU 97 Cb 1.58 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1re5 h GLU 97 CO 0.03 0.22 0.00 2.89 -0.73 0.00 0.00 179.01 181.42 1re5 n ARG 98 N -4.70 0.44 -0.00 1.92 1.85 -1.26 -3.30 116.66 111.61 1re5 n ARG 98 Ca 0.28 0.06 0.09 0.00 -1.00 0.00 0.00 57.85 57.27 1re5 n ARG 98 Cb 0.99 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.79 1re5 n ARG 98 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1re5 n TYR 99 N -1.17 0.00 -2.24 2.89 4.02 -0.40 -4.89 117.16 115.37 1re5 n TYR 99 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.60 1re5 n TYR 99 Cb 0.13 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 1re5 n TYR 99 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1re5 s VAL 100 N -2.81 3.11 -1.72 -0.72 0.11 -1.21 -3.08 120.40 114.08 1re5 s VAL 100 Ca 0.03 1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 60.08 1re5 s VAL 100 Cb 0.13 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1re5 s VAL 100 CO 0.73 0.20 0.15 1.57 -3.33 0.00 0.00 175.10 174.42 1re5 n HIS 101 N 1.75 -1.25 -2.16 1.54 -0.00 -1.26 -4.92 115.22 108.92 1re5 n HIS 101 Ca 0.03 0.13 -0.42 0.00 -0.00 0.00 0.00 57.72 57.45 1re5 n HIS 101 Cb 0.43 -4.09 -0.03 0.00 -0.00 0.00 0.00 29.99 26.31 1re5 n HIS 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1re5 s LEU 102 N -6.20 4.29 0.00 0.27 2.96 -1.18 -3.18 118.68 115.65 1re5 s LEU 102 Ca 0.08 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1re5 s LEU 102 Cb -0.03 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1re5 s LEU 102 CO 0.09 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.90 1re5 n GLY 103 N 3.88 0.68 3.61 7.98 0.00 -1.26 -5.03 105.19 115.06 1re5 n GLY 103 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1re5 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1re5 s ALA 104 N -2.82 3.07 0.25 4.61 0.00 -1.19 -4.43 121.76 121.24 1re5 s ALA 104 Ca 0.00 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1re5 s ALA 104 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1re5 s ALA 104 CO 0.00 0.46 0.22 -0.08 0.00 0.00 0.00 175.76 176.36 1re5 s THR 105 N -1.76 4.57 0.20 0.00 -1.32 -1.26 -4.77 115.64 111.29 1re5 s THR 105 Ca 0.26 -1.34 -0.17 0.00 -1.21 0.00 0.00 61.69 59.23 1re5 s THR 105 Cb -0.09 -3.47 0.19 0.00 -1.51 0.00 0.00 72.50 67.62 1re5 s THR 105 CO 0.17 -0.34 1.60 0.28 -2.21 0.00 0.00 174.62 174.11 1re5 h SER 106 N 1.46 -0.96 -0.25 8.08 0.02 -1.96 -0.81 113.55 119.12 1re5 h SER 106 Ca -0.49 0.22 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 1re5 h SER 106 Cb 1.24 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 64.29 1re5 h SER 106 CO 0.61 -0.28 0.19 -0.61 -1.14 0.00 0.00 176.83 175.60 1re5 h GLN 107 N -0.10 0.00 -0.14 3.45 4.15 -1.97 -0.86 115.11 119.65 1re5 h GLN 107 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1re5 h GLN 107 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1re5 h GLN 107 CO -0.70 0.00 0.07 -0.44 -1.93 0.00 0.00 178.83 175.83 1re5 h ASP 108 N 0.00 0.18 -0.38 -0.69 3.32 -1.36 0.18 116.42 117.68 1re5 h ASP 108 Ca 0.12 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1re5 h ASP 108 Cb 0.50 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1re5 h ASP 108 CO -0.00 0.24 0.01 0.00 -1.72 0.00 0.00 179.24 177.76 1re5 h ALA 109 N 0.95 0.52 0.16 3.45 0.00 -1.22 -2.06 119.26 121.06 1re5 h ALA 109 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1re5 h ALA 109 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1re5 h ALA 109 CO -0.01 0.28 -0.08 0.52 0.00 0.00 0.00 179.25 179.97 1re5 h MET 110 N 0.50 -0.21 -0.20 0.00 2.86 -1.05 -0.24 114.93 116.59 1re5 h MET 110 Ca 0.11 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1re5 h MET 110 Cb 0.46 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1re5 h MET 110 CO 0.02 0.09 0.06 -0.44 1.06 0.00 0.00 176.91 177.69 1re5 h ASP 111 N -0.51 0.29 -0.77 1.22 3.32 -0.71 -0.85 116.42 118.41 1re5 h ASP 111 Ca -0.02 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1re5 h ASP 111 Cb 0.39 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1re5 h ASP 111 CO 0.04 0.43 0.47 0.74 -1.72 0.00 0.00 179.24 179.20 1re5 h THR 112 N 0.14 1.22 -0.56 0.35 2.02 -1.43 0.20 112.91 114.85 1re5 h THR 112 Ca 0.06 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1re5 h THR 112 Cb 0.25 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1re5 h THR 112 CO -0.00 0.22 0.35 1.23 0.37 0.00 0.00 175.52 177.69 1re5 h GLY 113 N 1.06 0.80 0.96 2.16 0.00 -0.88 -1.16 103.07 106.00 1re5 h GLY 113 Ca 0.28 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1re5 h GLY 113 CO -0.05 0.24 0.05 -2.00 0.00 0.00 0.00 176.54 174.77 1re5 h LEU 114 N 0.70 0.07 -0.98 3.11 6.46 -0.27 -1.84 115.31 122.56 1re5 h LEU 114 Ca 0.22 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.09 1re5 h LEU 114 Cb -0.01 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.83 1re5 h LEU 114 CO -0.08 0.06 0.61 0.58 -0.62 0.00 0.00 178.44 178.99 1re5 h VAL 115 N 0.11 0.95 -0.45 1.05 2.07 -0.22 0.40 116.25 120.17 1re5 h VAL 115 Ca 0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1re5 h VAL 115 Cb 0.00 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.61 1re5 h VAL 115 CO -0.03 0.18 0.30 -0.07 0.02 0.00 0.00 177.57 177.98 1re5 h LEU 116 N 1.01 0.52 -0.74 2.57 3.38 -0.57 0.17 115.31 121.64 1re5 h LEU 116 Ca 0.47 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.36 1re5 h LEU 116 Cb 0.40 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1re5 h LEU 116 CO -0.24 0.37 0.21 1.56 0.09 0.00 0.00 178.44 180.43 1re5 h GLN 117 N 0.61 1.16 -0.21 1.13 4.20 -0.18 -2.14 115.11 119.66 1re5 h GLN 117 Ca 0.17 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1re5 h GLN 117 Cb -0.07 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1re5 h GLN 117 CO -0.04 1.00 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.96 1re5 h LEU 118 N 1.10 0.32 -0.35 1.46 3.38 0.42 -0.55 115.31 121.09 1re5 h LEU 118 Ca 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1re5 h LEU 118 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1re5 h LEU 118 CO -0.00 0.44 0.08 -0.09 0.09 0.00 0.00 178.44 178.96 1re5 h ARG 119 N 0.32 0.56 -0.73 1.13 2.43 -0.06 0.56 114.38 118.60 1re5 h ARG 119 Ca 0.07 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1re5 h ARG 119 Cb 0.36 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1re5 h ARG 119 CO 0.02 0.62 0.34 -0.44 -1.51 0.00 0.00 179.97 179.00 1re5 h ASP 120 N 0.41 0.96 -0.52 -3.80 3.32 -0.97 -1.76 116.42 114.06 1re5 h ASP 120 Ca 0.11 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1re5 h ASP 120 Cb 0.31 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1re5 h ASP 120 CO 0.00 0.83 0.15 0.00 -1.72 0.00 0.00 179.24 178.50 1re5 h ALA 121 N 1.17 0.69 -0.68 3.45 0.00 -0.72 -2.28 119.26 120.87 1re5 h ALA 121 Ca 0.25 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1re5 h ALA 121 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1re5 h ALA 121 CO -0.03 0.36 0.43 1.25 0.00 0.00 0.00 179.25 181.26 1re5 h LEU 122 N 0.72 0.70 -0.97 0.00 6.46 0.44 -1.31 115.31 121.34 1re5 h LEU 122 Ca 0.17 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1re5 h LEU 122 Cb 0.30 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 1re5 h LEU 122 CO -0.00 0.48 0.64 0.44 -0.62 0.00 0.00 178.44 179.38 1re5 h ASP 123 N 0.83 1.06 -0.03 1.25 3.45 -0.96 0.34 116.42 122.36 1re5 h ASP 123 Ca 0.28 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 1re5 h ASP 123 Cb 0.02 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.55 1re5 h ASP 123 CO -0.11 0.73 -0.01 -0.07 -1.57 0.00 0.00 179.24 178.21 1re5 h LEU 124 N 1.23 0.06 -1.06 1.55 3.38 -0.83 -2.41 115.31 117.23 1re5 h LEU 124 Ca 0.39 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1re5 h LEU 124 Cb -0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1re5 h LEU 124 CO -0.12 0.41 0.63 0.40 0.09 0.00 0.00 178.44 179.85 1re5 h ILE 125 N -0.29 1.16 -0.38 1.22 2.04 -0.93 0.59 117.51 120.92 1re5 h ILE 125 Ca 0.01 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.34 1re5 h ILE 125 Cb 0.38 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1re5 h ILE 125 CO 0.00 0.22 -0.24 -0.33 0.00 0.00 0.00 178.15 177.80 1re5 h GLU 126 N 1.20 0.78 0.84 2.37 5.08 -0.92 -0.72 114.58 123.21 1re5 h GLU 126 Ca 0.38 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1re5 h GLU 126 Cb 0.02 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1re5 h GLU 126 CO -0.12 0.94 -0.40 0.00 -1.00 0.00 0.00 179.01 178.43 1re5 h ALA 127 N 1.05 -1.18 -0.78 3.43 0.00 -0.78 -1.85 119.26 119.16 1re5 h ALA 127 Ca 0.09 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.90 1re5 h ALA 127 Cb 0.76 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1re5 h ALA 127 CO 0.06 -1.09 0.32 -0.44 0.00 0.00 0.00 179.25 178.10 1re5 h ASP 128 N -1.24 0.31 0.29 0.00 3.32 -0.90 -0.42 116.42 117.77 1re5 h ASP 128 Ca -0.11 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1re5 h ASP 128 Cb 0.86 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1re5 h ASP 128 CO 0.19 0.11 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.61 1re5 h LEU 129 N 0.46 -0.33 -0.67 1.55 3.38 -1.07 0.22 115.31 118.85 1re5 h LEU 129 Ca 0.43 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.48 1re5 h LEU 129 Cb 0.66 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1re5 h LEU 129 CO -0.41 -0.23 0.36 1.23 0.09 0.00 0.00 178.44 179.48 1re5 h GLY 130 N -0.40 0.99 0.96 0.83 0.00 -0.69 0.45 103.07 105.20 1re5 h GLY 130 Ca -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1re5 h GLY 130 CO 0.07 0.13 0.02 1.70 0.00 0.00 0.00 176.54 178.45 1re5 h LYS 131 N 0.65 0.04 -0.68 4.80 3.64 -0.81 -0.61 116.57 123.60 1re5 h LYS 131 Ca 0.31 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1re5 h LYS 131 Cb 0.24 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1re5 h LYS 131 CO -0.21 0.07 0.36 1.25 -2.27 0.00 0.00 179.45 178.65 1re5 h LEU 132 N -0.01 0.84 -0.66 5.20 5.85 0.24 -2.45 115.31 124.32 1re5 h LEU 132 Ca 0.01 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1re5 h LEU 132 Cb 0.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1re5 h LEU 132 CO -0.00 0.69 0.17 0.00 -0.34 0.00 0.00 178.44 178.96 1re5 h ALA 133 N 1.44 0.88 0.80 1.25 0.00 0.28 -1.23 119.26 122.67 1re5 h ALA 133 Ca 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1re5 h ALA 133 Cb 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1re5 h ALA 133 CO -0.04 0.59 -0.40 -0.44 0.00 0.00 0.00 179.25 178.96 1re5 h ASP 134 N 0.99 -0.97 -0.70 0.00 3.32 -0.67 0.12 116.42 118.51 1re5 h ASP 134 Ca 0.21 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1re5 h ASP 134 Cb 0.35 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1re5 h ASP 134 CO 0.00 -0.67 0.36 0.71 -1.72 0.00 0.00 179.24 177.92 1re5 h THR 135 N -1.10 1.22 -0.37 0.35 1.35 -1.49 -0.71 112.91 112.17 1re5 h THR 135 Ca -0.11 -0.59 -0.05 0.00 -0.55 0.00 0.00 66.41 65.11 1re5 h THR 135 Cb 0.85 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 1re5 h THR 135 CO 0.16 0.26 0.00 0.25 -0.25 0.00 0.00 175.52 175.94 1re5 h LEU 136 N 1.00 0.54 -0.32 3.87 5.85 -1.11 -1.91 115.31 123.23 1re5 h LEU 136 Ca 0.25 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1re5 h LEU 136 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1re5 h LEU 136 CO -0.04 0.61 0.18 -1.28 -0.34 0.00 0.00 178.44 177.57 1re5 h SER 137 N 0.55 0.40 0.43 1.25 0.87 0.74 -0.68 113.55 117.12 1re5 h SER 137 Ca 0.12 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1re5 h SER 137 Cb 0.35 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1re5 h SER 137 CO 0.01 0.37 -0.21 1.56 -0.53 0.00 0.00 176.83 178.03 1re5 h GLN 138 N 0.40 -0.56 -0.75 2.24 4.20 -1.07 -1.96 115.11 117.60 1re5 h GLN 138 Ca 0.11 0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.02 1re5 h GLN 138 Cb 0.06 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 27.86 1re5 h GLN 138 CO -0.02 -0.30 0.20 1.96 -0.67 0.00 0.00 178.83 180.00 1re5 h GLN 139 N -0.73 0.28 -0.12 1.46 1.08 -1.30 0.52 115.11 116.31 1re5 h GLN 139 Ca -0.06 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1re5 h GLN 139 Cb 0.52 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 1re5 h GLN 139 CO 0.10 0.19 -0.21 0.00 -0.95 0.00 0.00 178.83 177.96 1re5 h ALA 140 N 1.61 -0.17 -0.12 3.87 0.00 -0.85 -0.81 119.26 122.79 1re5 h ALA 140 Ca 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1re5 h ALA 140 Cb 0.73 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1re5 h ALA 140 CO -0.50 -0.67 0.05 -0.07 0.00 0.00 0.00 179.25 178.06 1re5 h LEU 141 N -0.27 0.16 -0.99 0.00 3.38 -0.21 -0.67 115.31 116.71 1re5 h LEU 141 Ca 0.10 -0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.10 1re5 h LEU 141 Cb 0.41 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.01 1re5 h LEU 141 CO -0.27 0.27 0.60 0.50 0.09 0.00 0.00 178.44 179.62 1re5 h LYS 142 N 0.05 0.73 -0.37 1.13 3.64 0.37 -1.41 116.57 120.71 1re5 h LYS 142 Ca 0.04 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1re5 h LYS 142 Cb 0.15 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1re5 h LYS 142 CO -0.00 0.49 0.03 0.72 -2.27 0.00 0.00 179.45 178.41 1re5 n HIS 143 N -4.78 1.23 -0.00 1.91 8.25 -0.35 -4.71 115.22 116.77 1re5 n HIS 143 Ca 0.23 -1.17 0.23 0.00 -0.26 0.00 0.00 57.72 56.75 1re5 n HIS 143 Cb 0.56 -0.43 0.69 0.00 1.12 0.00 0.00 29.99 31.92 1re5 n HIS 143 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1re5 h ALA 144 N 1.63 2.36 0.00 -1.41 0.00 0.04 -1.17 119.26 120.71 1re5 h ALA 144 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1re5 h ALA 144 Cb 1.66 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1re5 h ALA 144 CO 0.36 -0.93 -0.38 -0.40 0.00 0.00 0.00 179.25 177.90 1re5 n ASP 145 N -3.65 0.74 -4.62 0.00 3.85 -1.26 -4.22 116.55 107.38 1re5 n ASP 145 Ca 0.12 -2.35 -0.42 0.00 -0.71 0.00 0.00 54.79 51.43 1re5 n ASP 145 Cb 0.85 -0.28 -0.04 0.00 -1.35 0.00 0.00 41.12 40.31 1re5 n ASP 145 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1re5 s THR 146 N -0.88 4.66 0.30 2.12 -4.23 -1.00 -4.99 115.64 111.62 1re5 s THR 146 Ca 0.11 1.40 -0.28 0.00 -1.18 0.00 0.00 61.69 61.74 1re5 s THR 146 Cb 0.10 -4.28 -0.09 0.00 1.34 0.00 0.00 72.50 69.57 1re5 s THR 146 CO 0.00 -0.38 1.07 -2.16 -0.54 0.00 0.00 174.62 172.61 1re5 s PRO 147 N 3.29 4.57 0.02 3.99 0.04 -1.26 -2.10 135.00 143.56 1re5 s PRO 147 Ca 0.38 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1re5 s PRO 147 Cb -0.13 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1re5 s PRO 147 CO 0.14 0.18 0.07 -0.48 0.04 0.00 0.00 177.00 176.96 1re5 s LEU 148 N -1.66 1.86 0.52 -3.56 2.34 -0.05 -4.50 118.68 113.64 1re5 s LEU 148 Ca 0.47 -0.43 -0.21 0.00 0.06 0.00 0.00 54.13 54.01 1re5 s LEU 148 Cb -0.29 0.47 -0.06 0.00 -0.56 0.00 0.00 46.19 45.76 1re5 s LEU 148 CO 0.37 -0.41 1.22 0.54 -1.06 0.00 0.00 176.35 177.02 1re5 s VAL 149 N -1.92 2.72 0.25 1.48 0.11 -1.26 -1.13 120.40 120.65 1re5 s VAL 149 Ca -0.11 0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 59.21 1re5 s VAL 149 Cb -0.05 -3.24 -0.09 0.00 -1.53 0.00 0.00 36.38 31.46 1re5 s VAL 149 CO -0.02 -0.04 0.84 -0.83 -3.33 0.00 0.00 175.10 171.72 1re5 s GLY 150 N -1.34 2.80 -0.17 6.54 0.00 -0.99 -4.65 107.32 109.51 1re5 s GLY 150 Ca 0.70 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1re5 s GLY 150 CO 0.37 0.83 -0.17 0.50 0.00 0.00 0.00 173.10 174.63 1re5 s ARG 151 N -1.73 2.70 -0.16 2.90 0.52 -1.26 0.17 118.95 122.10 1re5 s ARG 151 Ca 0.44 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1re5 s ARG 151 Cb -0.20 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 32.85 1re5 s ARG 151 CO 0.24 -0.24 -0.20 0.99 0.02 0.00 0.00 175.30 176.11 1re5 s THR 152 N 1.35 2.15 -1.23 0.02 2.01 0.12 -4.58 115.64 115.48 1re5 s THR 152 Ca 0.04 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1re5 s THR 152 Cb -0.13 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.53 1re5 s THR 152 CO -0.12 0.54 0.33 0.79 -0.69 0.00 0.00 174.62 175.47 1re5 n TRP 153 N 4.27 -1.68 -1.11 4.92 7.02 -1.26 0.11 117.44 129.71 1re5 n TRP 153 Ca -0.20 0.31 -0.04 0.00 -1.02 0.00 0.00 57.50 56.55 1re5 n TRP 153 Cb 0.51 -3.06 -0.02 0.00 -2.42 0.00 0.00 31.31 26.32 1re5 n TRP 153 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1re5 n LEU 154 N -3.43 0.15 -4.75 -0.99 4.77 -1.26 -5.00 117.00 106.49 1re5 n LEU 154 Ca -0.07 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1re5 n LEU 154 Cb 0.58 -1.74 -0.07 0.00 -2.33 0.00 0.00 43.42 39.85 1re5 n LEU 154 CO 0.38 -0.61 -0.28 -1.10 -1.33 0.00 0.00 177.39 174.46 1re5 s GLN 155 N -1.73 2.77 0.30 3.23 -1.52 0.30 -5.05 119.66 117.96 1re5 s GLN 155 Ca 0.00 -0.78 -0.29 0.00 -1.95 0.00 0.00 55.36 52.34 1re5 s GLN 155 Cb 0.00 -2.64 -0.10 0.00 -0.22 0.00 0.00 33.01 30.04 1re5 s GLN 155 CO 0.00 0.54 1.42 -1.01 -0.25 0.00 0.00 175.29 175.99 1re5 s HIS 156 N -1.44 2.92 0.34 0.91 3.76 -1.26 0.16 115.29 120.67 1re5 s HIS 156 Ca 0.28 1.16 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 1re5 s HIS 156 Cb -0.12 -3.83 -0.03 0.00 1.11 0.00 0.00 32.58 29.71 1re5 s HIS 156 CO 0.21 -2.54 0.20 0.00 -0.85 0.00 0.00 174.74 171.76 1re5 s ALA 157 N -0.59 2.12 0.59 -1.40 0.00 0.46 -4.78 121.76 118.16 1re5 s ALA 157 Ca 0.55 -1.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 1re5 s ALA 157 Cb -0.43 1.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.83 1re5 s ALA 157 CO 0.51 -0.54 0.62 0.25 0.00 0.00 0.00 175.76 176.60 1re5 n THR 158 N -0.66 2.56 -1.20 0.00 -2.24 -1.26 -2.34 114.28 109.13 1re5 n THR 158 Ca 0.02 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 1re5 n THR 158 Cb 0.64 -0.78 0.05 0.00 -2.10 0.00 0.00 70.33 68.14 1re5 n THR 158 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1re5 n PRO 159 N -0.33 0.17 -4.05 -0.78 -0.02 -1.26 -2.46 135.00 126.27 1re5 n PRO 159 Ca 0.12 0.08 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1re5 n PRO 159 Cb 0.48 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 1re5 n PRO 159 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1re5 s VAL 160 N -1.96 0.02 0.14 -1.45 1.01 -0.28 -4.67 120.40 113.21 1re5 s VAL 160 Ca 0.60 -1.57 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1re5 s VAL 160 Cb -0.35 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1re5 s VAL 160 CO 0.64 -0.10 -0.19 0.28 0.00 0.00 0.00 175.10 175.72 1re5 s THR 161 N -4.04 2.71 0.21 3.92 -1.32 -1.26 -0.87 115.64 114.99 1re5 s THR 161 Ca 0.25 -1.67 -0.09 0.00 -1.21 0.00 0.00 61.69 58.97 1re5 s THR 161 Cb 0.03 -2.27 0.14 0.00 -1.51 0.00 0.00 72.50 68.90 1re5 s THR 161 CO 0.07 0.02 1.78 0.25 -2.21 0.00 0.00 174.62 174.53 1re5 h LEU 162 N 3.52 1.03 -1.51 9.08 5.85 -1.54 -1.87 115.31 129.88 1re5 h LEU 162 Ca -0.49 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 1re5 h LEU 162 Cb 1.18 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1re5 h LEU 162 CO 0.46 0.91 -0.05 1.23 -0.34 0.00 0.00 178.44 180.66 1re5 h GLY 163 N 1.09 0.28 0.96 3.75 0.00 -1.43 -1.53 103.07 106.18 1re5 h GLY 163 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1re5 h GLY 163 CO -0.02 0.14 -0.09 1.98 0.00 0.00 0.00 176.54 178.55 1re5 h MET 164 N 0.25 -0.21 0.26 4.80 1.85 -1.60 0.18 114.93 120.46 1re5 h MET 164 Ca 0.06 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.17 1re5 h MET 164 Cb 0.25 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.30 1re5 h MET 164 CO 0.01 -0.14 -0.34 0.87 -0.40 0.00 0.00 176.91 176.91 1re5 h LYS 165 N -0.22 -0.63 -0.17 0.39 1.57 -1.09 -1.70 116.57 114.72 1re5 h LYS 165 Ca -0.01 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1re5 h LYS 165 Cb 0.19 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1re5 h LYS 165 CO 0.01 -0.42 0.12 -0.07 -0.57 0.00 0.00 179.45 178.52 1re5 h LEU 166 N -0.65 0.09 -1.34 2.94 3.38 -1.15 -0.63 115.31 117.95 1re5 h LEU 166 Ca -0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1re5 h LEU 166 Cb 0.62 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1re5 h LEU 166 CO -0.11 0.06 -0.13 0.00 0.09 0.00 0.00 178.44 178.36 1re5 h ALA 167 N 1.91 1.45 0.08 1.53 0.00 0.25 -1.54 119.26 122.93 1re5 h ALA 167 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1re5 h ALA 167 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1re5 h ALA 167 CO -0.01 0.38 -0.04 0.78 0.00 0.00 0.00 179.25 180.37 1re5 h GLY 168 N 0.79 -0.11 0.88 0.00 0.00 -0.52 0.23 103.07 104.34 1re5 h GLY 168 Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.46 1re5 h GLY 168 CO 0.02 -0.04 0.66 -2.08 0.00 0.00 0.00 176.54 175.10 1re5 h VAL 169 N -0.13 1.17 -0.36 4.60 2.07 -1.43 -1.43 116.25 120.73 1re5 h VAL 169 Ca -0.01 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1re5 h VAL 169 Cb 0.11 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 1re5 h VAL 169 CO 0.02 0.23 0.20 0.25 0.02 0.00 0.00 177.57 178.29 1re5 h LEU 170 N 1.27 0.45 -0.14 2.57 5.85 -0.76 -1.23 115.31 123.33 1re5 h LEU 170 Ca 0.40 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.09 1re5 h LEU 170 Cb 0.01 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1re5 h LEU 170 CO -0.13 0.41 -0.27 1.23 -0.34 0.00 0.00 178.44 179.34 1re5 h GLY 171 N 0.46 -0.31 0.70 3.75 0.00 0.45 -0.41 103.07 107.71 1re5 h GLY 171 Ca 0.13 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.82 1re5 h GLY 171 CO -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 176.54 176.37 1re5 h ALA 172 N 0.58 0.29 -0.87 3.60 0.00 -1.13 -1.86 119.26 119.87 1re5 h ALA 172 Ca 0.10 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1re5 h ALA 172 Cb 0.49 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1re5 h ALA 172 CO -0.33 -0.35 0.57 -0.07 0.00 0.00 0.00 179.25 179.07 1re5 h LEU 173 N 0.17 0.93 -0.39 0.00 3.38 -0.76 -1.66 115.31 116.98 1re5 h LEU 173 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1re5 h LEU 173 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1re5 h LEU 173 CO -0.16 0.64 0.21 0.74 0.09 0.00 0.00 178.44 179.96 1re5 h THR 174 N 1.08 1.15 -0.22 0.22 2.02 -0.55 -1.17 112.91 115.44 1re5 h THR 174 Ca 0.35 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1re5 h THR 174 Cb 0.03 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1re5 h THR 174 CO -0.10 0.16 0.12 0.03 0.37 0.00 0.00 175.52 176.09 1re5 h ARG 175 N 0.50 0.30 -0.02 6.66 3.08 -0.55 -1.87 114.38 122.47 1re5 h ARG 175 Ca 0.14 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.94 1re5 h ARG 175 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1re5 h ARG 175 CO -0.02 0.22 -0.91 0.45 -1.07 0.00 0.00 179.97 178.64 1re5 h HIS 176 N 0.30 0.65 -0.58 3.04 3.86 -0.67 -1.64 115.15 120.10 1re5 h HIS 176 Ca 0.08 -0.34 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 1re5 h HIS 176 Cb 0.02 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1re5 h HIS 176 CO 0.00 1.15 0.14 0.00 0.86 0.00 0.00 177.93 180.08 1re5 h ARG 177 N 0.26 0.90 -0.28 2.45 3.08 -0.70 0.91 114.38 121.00 1re5 h ARG 177 Ca -0.07 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1re5 h ARG 177 Cb 1.54 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1re5 h ARG 177 CO 0.16 0.81 0.11 0.37 -1.07 0.00 0.00 179.97 180.34 1re5 h GLN 178 N 0.86 0.41 -0.67 0.04 4.15 -1.27 -1.48 115.11 117.16 1re5 h GLN 178 Ca 0.19 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1re5 h GLN 178 Cb 0.32 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1re5 h GLN 178 CO -0.00 0.45 0.16 0.00 -1.93 0.00 0.00 178.83 177.50 1re5 h ARG 179 N 0.29 1.08 -0.16 1.69 3.08 -0.68 -1.29 114.38 118.40 1re5 h ARG 179 Ca 0.09 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1re5 h ARG 179 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1re5 h ARG 179 CO -0.01 0.97 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.60 1re5 h LEU 180 N 1.01 0.25 -0.25 3.04 4.07 -0.68 -2.10 115.31 120.65 1re5 h LEU 180 Ca 0.21 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 58.01 1re5 h LEU 180 Cb 0.38 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1re5 h LEU 180 CO 0.00 0.46 -0.21 -0.61 -1.08 0.00 0.00 178.44 177.00 1re5 h GLN 181 N 0.24 0.58 -0.13 1.13 4.15 -0.70 -2.64 115.11 117.75 1re5 h GLN 181 Ca 0.04 -0.29 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 1re5 h GLN 181 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1re5 h GLN 181 CO 0.03 0.88 -0.26 0.93 -1.93 0.00 0.00 178.83 178.48 1re5 h GLU 182 N 0.29 0.23 0.00 1.69 5.08 -0.85 -3.09 114.58 117.94 1re5 h GLU 182 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1re5 h GLU 182 Cb 0.75 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1re5 h GLU 182 CO 0.05 0.48 -0.56 1.37 -1.00 0.00 0.00 179.01 179.35 1re5 h LEU 183 N 0.21 0.00 -0.68 1.33 8.10 -1.39 -3.39 115.31 119.50 1re5 h LEU 183 Ca 0.03 -0.03 0.14 0.00 0.11 0.00 0.00 57.88 58.14 1re5 h LEU 183 Cb 0.58 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 40.67 1re5 h LEU 183 CO 0.04 0.01 -0.07 -0.09 -4.11 0.00 0.00 178.44 174.23 1re5 h ARG 184 N 0.00 0.06 0.00 0.17 2.43 -1.38 0.20 114.38 115.87 1re5 h ARG 184 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1re5 h ARG 184 Cb 0.95 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1re5 h ARG 184 CO 0.00 0.04 -0.11 -1.00 -1.51 0.00 0.00 179.97 177.39 1re5 h PRO 185 N 0.06 0.00 0.21 0.20 0.13 -1.78 -2.43 132.00 128.40 1re5 h PRO 185 Ca 0.35 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.13 1re5 h PRO 185 Cb 0.57 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.72 1re5 h PRO 185 CO -0.64 0.11 -1.65 -0.09 -0.23 0.00 0.00 178.00 175.50 1re5 h ARG 186 N 0.00 0.44 0.22 0.86 2.43 -1.12 -3.40 114.38 113.80 1re5 h ARG 186 Ca -0.00 -0.75 -0.29 0.00 -0.81 0.00 0.00 59.98 58.13 1re5 h ARG 186 Cb 0.54 0.28 0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1re5 h ARG 186 CO 0.01 1.35 -1.28 1.25 -1.51 0.00 0.00 179.97 179.80 1re5 h LEU 187 N 0.12 0.75 -5.75 3.80 5.85 -0.63 -3.40 115.31 116.05 1re5 h LEU 187 Ca -0.31 -0.92 -0.70 0.00 0.84 0.00 0.00 57.88 56.79 1re5 h LEU 187 Cb 2.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.88 1re5 h LEU 187 CO 0.21 1.62 3.27 0.18 -0.34 0.00 0.00 178.44 183.38 1re5 n LEU 188 N -3.84 7.40 -4.53 2.25 4.77 -0.92 -4.90 117.00 117.23 1re5 n LEU 188 Ca -0.16 -4.24 -0.25 0.00 -0.03 0.00 0.00 56.01 51.33 1re5 n LEU 188 Cb 1.02 -1.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 1re5 n LEU 188 CO 0.57 1.40 -0.43 0.68 -1.33 0.00 0.00 177.39 178.28 1re5 s VAL 189 N 2.70 2.87 0.34 4.08 -7.23 -1.26 -2.02 120.40 119.87 1re5 s VAL 189 Ca 0.53 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.48 1re5 s VAL 189 Cb 0.15 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.52 1re5 s VAL 189 CO -0.08 -0.27 0.82 -0.22 -0.31 0.00 0.00 175.10 175.04 1re5 s LEU 190 N -3.23 4.10 -0.52 1.32 2.96 0.16 -4.86 118.68 118.62 1re5 s LEU 190 Ca 0.27 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1re5 s LEU 190 Cb -0.07 -4.13 0.14 0.00 0.50 0.00 0.00 46.19 42.63 1re5 s LEU 190 CO 0.15 -0.20 0.30 -1.58 -1.32 0.00 0.00 176.35 173.71 1re5 s GLN 191 N -2.78 2.20 -0.31 1.98 2.00 -1.26 -4.50 119.66 116.99 1re5 s GLN 191 Ca 0.54 -2.27 -0.02 0.00 -2.00 0.00 0.00 55.36 51.62 1re5 s GLN 191 Cb -0.12 -3.58 0.10 0.00 0.80 0.00 0.00 33.01 30.22 1re5 s GLN 191 CO 0.17 -1.11 0.12 0.12 -0.50 0.00 0.00 175.29 174.09 1re5 s PHE 192 N 0.36 1.09 0.00 1.67 5.36 -1.26 -4.44 117.98 120.76 1re5 s PHE 192 Ca 0.14 -1.39 0.00 0.00 -0.96 0.00 0.00 56.93 54.71 1re5 s PHE 192 Cb -0.22 -1.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 1re5 s PHE 192 CO -0.04 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.28 1re5 n GLY 193 N 4.94 0.43 0.51 13.12 0.00 -1.26 -4.71 105.19 118.22 1re5 n GLY 193 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1re5 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1re5 n GLY 194 N 0.38 -1.66 0.05 -0.02 0.00 -1.26 -1.32 105.19 101.36 1re5 n GLY 194 Ca 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 1re5 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1re5 n ALA 195 N -1.78 -0.02 -1.16 4.61 0.00 -1.26 -1.01 120.51 119.88 1re5 n ALA 195 Ca -0.00 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1re5 n ALA 195 Cb 0.23 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 19.70 1re5 n ALA 195 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1re5 n SER 196 N -4.19 1.43 0.00 0.00 3.41 -1.26 -4.99 113.62 108.03 1re5 n SER 196 Ca 0.01 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 1re5 n SER 196 Cb 0.05 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1re5 n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1re5 n GLY 197 N -0.77 0.71 0.06 5.00 0.00 -0.18 -4.90 105.19 105.12 1re5 n GLY 197 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1re5 n GLY 197 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1re5 n SER 198 N 0.00 0.52 -1.70 1.61 3.41 -1.00 -4.80 113.62 111.65 1re5 n SER 198 Ca 0.00 0.07 -0.19 0.00 -0.26 0.00 0.00 58.87 58.48 1re5 n SER 198 Cb 0.00 1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 1re5 n SER 198 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1re5 n LEU 199 N -2.34 -1.47 -0.03 1.04 7.94 -0.43 -4.84 117.00 116.86 1re5 n LEU 199 Ca -0.01 0.40 0.11 0.00 -1.11 0.00 0.00 56.01 55.40 1re5 n LEU 199 Cb 0.52 -2.70 0.51 0.00 0.53 0.00 0.00 43.42 42.28 1re5 n LEU 199 CO 0.42 -0.88 1.17 0.00 -1.11 0.00 0.00 177.39 177.00 1re5 h ALA 200 N 0.30 2.00 -0.02 1.96 0.00 -1.90 -2.27 119.26 119.33 1re5 h ALA 200 Ca -0.41 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1re5 h ALA 200 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1re5 h ALA 200 CO 0.57 -0.11 0.10 0.00 0.00 0.00 0.00 179.25 179.82 1re5 h ALA 201 N 1.73 1.21 -0.02 0.00 0.00 -1.90 -0.12 119.26 120.16 1re5 h ALA 201 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1re5 h ALA 201 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1re5 h ALA 201 CO -0.06 -0.11 -0.17 1.28 0.00 0.00 0.00 179.25 180.19 1re5 n LEU 202 N -3.17 1.98 0.00 0.00 4.77 -0.85 -4.95 117.00 114.78 1re5 n LEU 202 Ca -0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1re5 n LEU 202 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1re5 n LEU 202 CO 0.20 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1re5 n GLY 203 N 1.32 3.15 0.00 -0.72 0.00 -0.06 -1.63 105.19 107.24 1re5 n GLY 203 Ca 0.14 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1re5 n GLY 203 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1re5 n SER 204 N 2.92 0.00 -0.64 1.61 3.41 -1.26 -2.97 113.62 116.68 1re5 n SER 204 Ca 0.00 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1re5 n SER 204 Cb 0.00 -0.35 0.28 0.00 -0.26 0.00 0.00 64.21 63.87 1re5 n SER 204 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1re5 n LYS 205 N -1.35 1.82 0.23 4.33 4.76 -0.65 -4.51 118.16 122.79 1re5 n LYS 205 Ca 0.11 -1.26 -0.12 0.00 -2.87 0.00 0.00 58.31 54.17 1re5 n LYS 205 Cb 0.25 -1.36 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 1re5 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1re5 h ALA 206 N 3.91 -1.07 -0.77 7.82 0.00 -1.59 -1.10 119.26 126.46 1re5 h ALA 206 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1re5 h ALA 206 Cb 0.51 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1re5 h ALA 206 CO 0.00 -1.07 0.45 0.52 0.00 0.00 0.00 179.25 179.15 1re5 h MET 207 N -0.70 1.06 -0.50 0.00 2.86 -1.87 -0.49 114.93 115.29 1re5 h MET 207 Ca -0.05 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1re5 h MET 207 Cb 0.58 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1re5 h MET 207 CO 0.01 0.76 0.31 -1.35 1.06 0.00 0.00 176.91 177.70 1re5 h PRO 208 N 1.06 0.60 -0.67 -0.22 0.11 -1.82 -0.22 132.00 130.85 1re5 h PRO 208 Ca 0.28 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 1re5 h PRO 208 Cb -0.02 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1re5 h PRO 208 CO -0.05 0.40 0.12 0.28 -0.21 0.00 0.00 178.00 178.54 1re5 h VAL 209 N 0.62 1.26 0.19 3.15 2.07 -0.94 -2.05 116.25 120.55 1re5 h VAL 209 Ca 0.19 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1re5 h VAL 209 Cb -0.01 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1re5 h VAL 209 CO -0.07 0.38 -0.14 0.00 0.02 0.00 0.00 177.57 177.76 1re5 h ALA 210 N 1.10 -0.32 -0.46 1.67 0.00 -0.44 0.86 119.26 121.67 1re5 h ALA 210 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1re5 h ALA 210 Cb 0.42 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1re5 h ALA 210 CO 0.01 -0.69 0.14 0.93 0.00 0.00 0.00 179.25 179.64 1re5 h GLU 211 N -0.34 0.72 -0.74 0.00 5.08 -1.03 -0.44 114.58 117.83 1re5 h GLU 211 Ca -0.01 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1re5 h GLU 211 Cb 0.30 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1re5 h GLU 211 CO -0.00 0.70 0.48 0.00 -1.00 0.00 0.00 179.01 179.18 1re5 h ALA 212 N 0.99 0.97 -0.51 3.43 0.00 -1.24 -1.31 119.26 121.58 1re5 h ALA 212 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1re5 h ALA 212 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1re5 h ALA 212 CO -0.00 0.29 0.11 1.25 0.00 0.00 0.00 179.25 180.89 1re5 h LEU 213 N 0.94 0.79 -0.22 0.00 5.85 -0.38 -0.16 115.31 122.13 1re5 h LEU 213 Ca 0.29 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1re5 h LEU 213 Cb -0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1re5 h LEU 213 CO -0.10 0.83 0.11 0.00 -0.34 0.00 0.00 178.44 178.94 1re5 h ALA 214 N 0.99 0.28 -0.92 1.25 0.00 -0.75 -2.28 119.26 117.82 1re5 h ALA 214 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1re5 h ALA 214 Cb 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1re5 h ALA 214 CO 0.00 -0.17 0.56 1.49 0.00 0.00 0.00 179.25 181.14 1re5 h GLU 215 N 0.23 1.25 -0.69 0.00 4.81 -1.11 0.56 114.58 119.62 1re5 h GLU 215 Ca 0.08 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1re5 h GLU 215 Cb 0.10 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 29.16 1re5 h GLU 215 CO -0.01 0.87 0.39 1.96 -0.73 0.00 0.00 179.01 181.49 1re5 h GLN 216 N 1.27 0.70 -0.21 1.92 1.08 -0.71 -1.97 115.11 117.18 1re5 h GLN 216 Ca 0.33 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1re5 h GLN 216 Cb -0.06 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 1re5 h GLN 216 CO -0.06 0.46 0.00 1.28 -0.95 0.00 0.00 178.83 179.56 1re5 n LEU 217 N -4.77 2.13 -3.69 1.46 4.77 -0.89 -4.94 117.00 111.08 1re5 n LEU 217 Ca 0.09 -0.88 -0.24 0.00 -0.03 0.00 0.00 56.01 54.94 1re5 n LEU 217 Cb 0.17 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1re5 n LEU 217 CO 0.29 0.44 0.11 0.29 -1.33 0.00 0.00 177.39 177.19 1re5 n LYS 218 N 0.63 -6.28 -4.30 3.23 5.02 -0.19 -5.00 118.16 111.28 1re5 n LYS 218 Ca 0.17 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.93 1re5 n LYS 218 Cb 0.41 -5.60 -0.12 0.00 -0.02 0.00 0.00 35.03 29.70 1re5 n LYS 218 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1re5 s LEU 219 N -6.99 2.32 0.46 -0.35 1.43 0.01 -5.02 118.68 110.54 1re5 s LEU 219 Ca 0.37 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1re5 s LEU 219 Cb -0.18 -0.89 -0.10 0.00 0.03 0.00 0.00 46.19 45.06 1re5 s LEU 219 CO 0.78 0.05 1.00 -0.89 0.23 0.00 0.00 176.35 177.52 1re5 s THR 220 N -1.29 4.05 -0.19 5.49 2.01 -0.86 -4.16 115.64 120.70 1re5 s THR 220 Ca 0.08 1.27 -0.18 0.00 0.31 0.00 0.00 61.69 63.17 1re5 s THR 220 Cb -0.09 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1re5 s THR 220 CO 0.05 -0.28 0.49 -0.22 -0.69 0.00 0.00 174.62 173.97 1re5 s LEU 221 N -3.37 4.17 0.83 4.42 2.96 -1.26 -0.66 118.68 125.76 1re5 s LEU 221 Ca 0.65 0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 55.12 1re5 s LEU 221 Cb -0.13 -2.68 0.09 0.00 0.50 0.00 0.00 46.19 43.97 1re5 s LEU 221 CO 0.17 -0.14 1.12 -2.16 -1.32 0.00 0.00 176.35 174.03 1re5 s PRO 222 N 1.42 1.84 0.53 0.98 0.04 -1.26 -4.93 135.00 133.61 1re5 s PRO 222 Ca 0.24 0.45 0.19 0.00 0.04 0.00 0.00 61.00 61.91 1re5 s PRO 222 Cb -0.15 -1.91 1.35 0.00 0.04 0.00 0.00 34.50 33.83 1re5 s PRO 222 CO 0.09 -1.75 2.15 1.05 0.04 0.00 0.00 177.00 178.59 1re5 h GLU 223 N -1.17 0.00 -2.71 4.56 9.09 -1.98 -3.44 114.58 118.93 1re5 h GLU 223 Ca -0.48 0.00 0.05 0.00 0.05 0.00 0.00 59.36 58.98 1re5 h GLU 223 Cb 1.29 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.27 1re5 h GLU 223 CO 0.61 0.02 0.33 1.14 0.05 0.00 0.00 179.01 181.16 1re5 s GLN 224 N -4.93 1.16 0.88 1.06 -2.07 -1.26 -5.16 119.66 109.34 1re5 s GLN 224 Ca -0.05 -0.47 -0.11 0.00 -1.82 0.00 0.00 55.36 52.91 1re5 s GLN 224 Cb 0.16 0.51 0.13 0.00 -1.09 0.00 0.00 33.01 32.72 1re5 s GLN 224 CO 0.65 -0.51 1.17 -2.14 -1.32 0.00 0.00 175.29 173.13 1re5 s PRO 225 N -3.52 1.21 -0.31 9.60 0.02 -1.26 -4.99 135.00 135.76 1re5 s PRO 225 Ca 0.04 1.62 0.15 0.00 0.02 0.00 0.00 61.00 62.84 1re5 s PRO 225 Cb -0.01 -1.74 0.47 0.00 0.02 0.00 0.00 34.50 33.24 1re5 s PRO 225 CO -0.09 -2.50 1.09 -2.67 -0.33 0.00 0.00 177.00 172.50 1re5 n TRP 226 N -3.93 1.90 -0.27 6.54 4.27 -1.26 -4.91 117.44 119.78 1re5 n TRP 226 Ca 0.12 -2.45 0.19 0.00 -3.89 0.00 0.00 57.50 51.48 1re5 n TRP 226 Cb 0.52 -0.27 0.49 0.00 -1.36 0.00 0.00 31.31 30.68 1re5 n TRP 226 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1re5 h HIS 227 N 2.59 0.62 0.00 -2.67 3.86 -1.94 -2.74 115.15 114.88 1re5 h HIS 227 Ca 0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1re5 h HIS 227 Cb 1.26 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1re5 h HIS 227 CO 0.63 0.14 -0.03 0.25 0.86 0.00 0.00 177.93 179.78 1re5 n THR 228 N -4.55 1.13 -3.78 2.45 -2.24 -1.26 -4.82 114.28 101.21 1re5 n THR 228 Ca 0.21 -1.26 -0.36 0.00 -2.27 0.00 0.00 64.05 60.37 1re5 n THR 228 Cb 0.72 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.13 1re5 n THR 228 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1re5 s GLN 229 N -1.47 2.19 0.00 -0.78 -1.52 -1.03 -4.51 119.66 112.54 1re5 s GLN 229 Ca 0.11 -2.16 0.20 0.00 -1.95 0.00 0.00 55.36 51.56 1re5 s GLN 229 Cb 0.10 -3.61 0.54 0.00 -0.22 0.00 0.00 33.01 29.82 1re5 s GLN 229 CO 0.01 -1.11 1.45 0.54 -0.25 0.00 0.00 175.29 175.93 1re5 n ARG 230 N 4.04 2.39 -0.25 2.91 5.12 -1.26 -4.61 116.66 124.99 1re5 n ARG 230 Ca 0.03 -2.14 0.19 0.00 -1.93 0.00 0.00 57.85 53.99 1re5 n ARG 230 Cb 0.39 -1.48 0.49 0.00 -1.16 0.00 0.00 32.46 30.71 1re5 n ARG 230 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1re5 h ASP 231 N 3.68 0.44 -0.57 0.55 3.04 -1.95 -1.92 116.42 119.68 1re5 h ASP 231 Ca 0.00 0.05 0.02 0.00 -3.24 0.00 0.00 57.03 53.86 1re5 h ASP 231 Cb 0.83 -0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 39.05 1re5 h ASP 231 CO 0.00 0.17 0.35 0.03 -2.04 0.00 0.00 179.24 177.76 1re5 h ARG 232 N 0.44 0.68 -0.33 4.15 3.08 -1.93 0.01 114.38 120.49 1re5 h ARG 232 Ca 0.48 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.33 1re5 h ARG 232 Cb 1.15 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1re5 h ARG 232 CO -0.20 0.45 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.68 1re5 h LEU 233 N 0.70 0.92 -0.95 3.04 3.38 -1.73 -2.92 115.31 117.75 1re5 h LEU 233 Ca 0.23 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1re5 h LEU 233 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1re5 h LEU 233 CO -0.09 1.23 -0.28 0.58 0.09 0.00 0.00 178.44 179.96 1re5 h VAL 234 N 0.64 1.27 -0.04 1.22 2.07 -1.22 -2.46 116.25 117.73 1re5 h VAL 234 Ca 0.04 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1re5 h VAL 234 Cb 1.00 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1re5 h VAL 234 CO 0.10 0.41 0.02 -0.08 0.02 0.00 0.00 177.57 178.03 1re5 h GLU 235 N 0.38 0.06 -0.70 1.57 4.81 -0.96 -0.01 114.58 119.73 1re5 h GLU 235 Ca 0.05 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1re5 h GLU 235 Cb 0.69 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1re5 h GLU 235 CO 0.05 0.16 0.37 0.35 -0.73 0.00 0.00 179.01 179.21 1re5 h PHE 236 N -0.07 0.67 -0.40 0.92 3.57 -1.38 -0.79 116.94 119.47 1re5 h PHE 236 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1re5 h PHE 236 Cb 0.13 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1re5 h PHE 236 CO -0.03 0.28 -0.06 0.00 -2.23 0.00 0.00 178.31 176.26 1re5 h ALA 237 N 1.40 1.15 -0.39 2.41 0.00 -1.24 -2.10 119.26 120.49 1re5 h ALA 237 Ca 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1re5 h ALA 237 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1re5 h ALA 237 CO -0.23 0.54 0.16 1.03 0.00 0.00 0.00 179.25 180.75 1re5 h SER 238 N 0.62 0.54 -0.56 0.00 0.87 0.31 0.27 113.55 115.60 1re5 h SER 238 Ca 0.12 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1re5 h SER 238 Cb 0.48 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1re5 h SER 238 CO 0.03 0.55 0.05 0.58 -0.53 0.00 0.00 176.83 177.50 1re5 h VAL 239 N 0.49 1.26 -0.15 2.23 2.07 -0.97 -0.97 116.25 120.22 1re5 h VAL 239 Ca 0.13 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1re5 h VAL 239 Cb 0.17 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1re5 h VAL 239 CO -0.01 0.38 0.10 -0.07 0.02 0.00 0.00 177.57 177.98 1re5 h LEU 240 N 0.84 0.16 -0.48 2.57 4.07 -1.15 -0.06 115.31 121.26 1re5 h LEU 240 Ca 0.16 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1re5 h LEU 240 Cb 0.47 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1re5 h LEU 240 CO 0.02 0.11 0.01 1.23 -1.08 0.00 0.00 178.44 178.73 1re5 h GLY 241 N 0.19 0.91 0.89 0.83 0.00 0.10 -0.96 103.07 105.03 1re5 h GLY 241 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.75 1re5 h GLY 241 CO -0.01 0.61 0.47 1.41 0.00 0.00 0.00 176.54 179.02 1re5 h LEU 242 N 0.70 0.78 -0.34 3.11 4.07 0.20 -1.11 115.31 122.72 1re5 h LEU 242 Ca 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1re5 h LEU 242 Cb 0.50 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1re5 h LEU 242 CO 0.02 0.54 0.16 0.58 -1.08 0.00 0.00 178.44 178.66 1re5 h VAL 243 N 0.92 1.17 -0.71 1.22 2.07 -0.83 -0.85 116.25 119.24 1re5 h VAL 243 Ca 0.29 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1re5 h VAL 243 Cb -0.00 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1re5 h VAL 243 CO -0.10 0.17 0.44 0.00 0.02 0.00 0.00 177.57 178.10 1re5 h ALA 244 N 1.01 0.90 -0.40 1.67 0.00 -0.78 -1.27 119.26 120.40 1re5 h ALA 244 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1re5 h ALA 244 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1re5 h ALA 244 CO -0.01 0.37 0.26 0.78 0.00 0.00 0.00 179.25 180.64 1re5 h GLY 245 N 0.97 0.57 0.83 0.00 0.00 -0.86 0.17 103.07 104.74 1re5 h GLY 245 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1re5 h GLY 245 CO -0.05 0.19 -0.03 1.76 0.00 0.00 0.00 176.54 178.41 1re5 h SER 246 N 0.53 -0.07 0.24 0.19 0.02 -0.87 -1.56 113.55 112.02 1re5 h SER 246 Ca 0.15 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1re5 h SER 246 Cb -0.04 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1re5 h SER 246 CO -0.04 0.11 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.67 1re5 h LEU 247 N -0.26 0.00 -0.38 5.07 3.38 -1.12 -0.84 115.31 121.17 1re5 h LEU 247 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1re5 h LEU 247 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1re5 h LEU 247 CO 0.01 0.02 -0.30 1.23 0.09 0.00 0.00 178.44 179.50 1re5 h GLY 248 N 0.49 0.95 0.97 0.83 0.00 0.26 0.25 103.07 106.82 1re5 h GLY 248 Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.37 1re5 h GLY 248 CO 0.00 0.84 0.21 1.70 0.00 0.00 0.00 176.54 179.29 1re5 h LYS 249 N 0.68 0.74 -0.17 4.80 3.11 -0.28 -0.83 116.57 124.62 1re5 h LYS 249 Ca 0.07 -0.13 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1re5 h LYS 249 Cb 0.88 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1re5 h LYS 249 CO 0.08 0.65 0.10 0.35 -2.81 0.00 0.00 179.45 177.82 1re5 h PHE 250 N 0.67 0.22 -0.46 1.91 3.57 -1.26 -1.19 116.94 120.39 1re5 h PHE 250 Ca 0.17 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1re5 h PHE 250 Cb 0.18 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1re5 h PHE 250 CO 0.00 0.18 0.19 0.78 -2.23 0.00 0.00 178.31 177.23 1re5 h GLY 251 N 0.20 0.71 0.71 2.40 0.00 -0.75 -1.82 103.07 104.52 1re5 h GLY 251 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1re5 h GLY 251 CO -0.01 0.32 -0.02 -0.09 0.00 0.00 0.00 176.54 176.74 1re5 h ARG 252 N 0.66 0.17 -0.92 4.80 9.65 -0.73 -2.39 114.38 125.62 1re5 h ARG 252 Ca 0.16 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1re5 h ARG 252 Cb 0.12 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.63 1re5 h ARG 252 CO -0.02 0.49 0.58 -0.44 2.80 0.00 0.00 179.97 183.37 1re5 h ASP 253 N -0.15 0.90 0.02 -3.80 3.32 -0.91 -1.20 116.42 114.60 1re5 h ASP 253 Ca 0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1re5 h ASP 253 Cb 0.42 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1re5 h ASP 253 CO 0.01 0.56 -0.01 0.40 -1.72 0.00 0.00 179.24 178.47 1re5 h ILE 254 N 1.02 1.10 -0.22 0.35 1.08 -1.29 -0.74 117.51 118.81 1re5 h ILE 254 Ca 0.41 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1re5 h ILE 254 Cb 0.22 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1re5 h ILE 254 CO -0.19 0.09 0.15 0.77 -0.69 0.00 0.00 178.15 178.28 1re5 h SER 255 N -0.19 0.22 0.52 1.72 4.64 -0.90 0.10 113.55 119.65 1re5 h SER 255 Ca -0.00 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1re5 h SER 255 Cb 0.18 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1re5 h SER 255 CO 0.01 0.15 -0.94 -0.07 -0.87 0.00 0.00 176.83 175.11 1re5 h LEU 256 N 0.25 0.36 -0.52 5.97 3.38 -0.92 -2.97 115.31 120.85 1re5 h LEU 256 Ca 0.08 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1re5 h LEU 256 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1re5 h LEU 256 CO -0.02 1.12 -0.17 -0.07 0.09 0.00 0.00 178.44 179.39 1re5 h LEU 257 N 0.14 0.00 -0.07 1.67 3.38 -0.17 -2.84 115.31 117.43 1re5 h LEU 257 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1re5 h LEU 257 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1re5 h LEU 257 CO 0.15 0.17 -0.15 0.23 0.09 0.00 0.00 178.44 178.93 1re5 n MET 258 N -3.20 0.25 -1.56 1.13 2.81 0.26 -1.44 117.12 115.37 1re5 n MET 258 Ca 0.02 -0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.42 1re5 n MET 258 Cb 0.52 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.53 1re5 n MET 258 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1re5 n GLN 259 N -1.31 1.11 -0.25 0.03 6.02 -1.07 -4.50 117.38 117.41 1re5 n GLN 259 Ca 0.10 0.40 0.02 0.00 -0.01 0.00 0.00 57.00 57.50 1re5 n GLN 259 Cb 0.31 -1.84 0.14 0.00 1.02 0.00 0.00 30.24 29.87 1re5 n GLN 259 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1re5 h THR 260 N 1.40 0.84 0.00 5.09 2.02 -1.91 0.45 112.91 120.80 1re5 h THR 260 Ca -0.42 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1re5 h THR 260 Cb 1.36 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1re5 h THR 260 CO 0.56 0.11 0.00 -1.84 0.37 0.00 0.00 175.52 174.72 1re5 n GLU 261 N -4.86 0.86 0.04 6.66 0.00 -1.26 -4.01 120.64 118.07 1re5 n GLU 261 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1re5 n GLU 261 Cb 0.29 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.47 1re5 n GLU 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1re5 n ALA 262 N -0.76 3.00 -4.18 -1.84 0.00 -0.06 -5.04 120.51 111.63 1re5 n ALA 262 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 1re5 n ALA 262 Cb 0.05 0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1re5 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1re5 n GLY 263 N 3.30 -0.18 0.12 0.00 0.00 0.14 -4.86 105.19 103.70 1re5 n GLY 263 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1re5 n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1re5 n GLU 264 N -4.49 0.69 -4.20 1.61 1.02 -0.52 -4.75 120.64 110.00 1re5 n GLU 264 Ca -0.29 0.10 -0.17 0.00 -0.02 0.00 0.00 57.16 56.78 1re5 n GLU 264 Cb 0.68 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.48 1re5 n GLU 264 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1re5 s VAL 265 N -2.49 0.87 0.03 2.62 1.01 -1.20 -1.22 120.40 120.03 1re5 s VAL 265 Ca -0.26 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.70 1re5 s VAL 265 Cb 0.08 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1re5 s VAL 265 CO 0.63 -0.15 -0.05 -0.36 0.00 0.00 0.00 175.10 175.17 1re5 s PHE 266 N -1.04 0.43 0.60 5.22 0.08 -0.24 -3.30 117.98 119.73 1re5 s PHE 266 Ca -0.03 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.32 1re5 s PHE 266 Cb -0.08 -0.28 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1re5 s PHE 266 CO 0.01 -0.16 1.08 -1.21 -0.10 0.00 0.00 175.22 174.85 1re5 s GLU 267 N -1.60 3.20 0.66 0.44 2.02 -1.26 -0.95 118.70 121.20 1re5 s GLU 267 Ca -0.13 1.33 -0.17 0.00 0.02 0.00 0.00 54.97 56.01 1re5 s GLU 267 Cb -0.09 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1re5 s GLU 267 CO -0.01 -0.92 1.06 -2.30 0.02 0.00 0.00 175.26 173.10 1re5 n PRO 268 N -1.98 0.82 -2.16 0.39 -0.02 -1.25 -4.68 135.00 126.12 1re5 n PRO 268 Ca 0.10 0.33 -0.18 0.00 -2.02 0.00 0.00 63.50 61.73 1re5 n PRO 268 Cb 0.52 -2.29 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1re5 n PRO 268 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1re5 n SER 269 N -1.41 1.09 0.00 2.55 3.41 -1.26 -5.08 113.62 112.92 1re5 n SER 269 Ca 0.14 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1re5 n SER 269 Cb 0.48 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1re5 n SER 269 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1re5 n THR 278 N -2.51 0.00 -3.02 6.66 -2.24 -1.26 -5.21 114.28 106.69 1re5 n THR 278 Ca 0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1re5 n THR 278 Cb 0.46 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1re5 n THR 278 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1re5 n MET 279 N 0.00 0.98 0.00 -0.78 0.00 -1.26 -5.01 117.12 111.05 1re5 n MET 279 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 57.70 54.85 1re5 n MET 279 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 31.76 1re5 n MET 279 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1re5 n PRO 280 N 0.34 0.00 0.00 0.03 -0.04 -1.26 -4.87 135.00 129.20 1re5 n PRO 280 Ca 0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1re5 n PRO 280 Cb 0.67 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.33 1re5 n PRO 280 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1re5 n HIS 281 N 0.00 0.00 -2.72 0.54 1.44 -1.26 -4.61 115.22 108.61 1re5 n HIS 281 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1re5 n HIS 281 Cb 0.00 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 29.98 1re5 n HIS 281 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1re5 s LYS 282 N -2.20 3.22 -0.35 -1.40 -2.85 -1.26 -4.93 119.74 109.97 1re5 s LYS 282 Ca 0.09 -0.42 0.03 0.00 -1.00 0.00 0.00 55.97 54.67 1re5 s LYS 282 Cb 0.05 -4.16 0.15 0.00 -2.06 0.00 0.00 37.83 31.81 1re5 s LYS 282 CO 0.09 -1.85 0.37 1.03 0.10 0.00 0.00 175.35 175.09 1re5 s ARG 283 N 4.69 0.58 0.10 1.78 1.81 -1.26 -5.05 118.95 121.59 1re5 s ARG 283 Ca 0.30 -0.69 -0.21 0.00 -1.72 0.00 0.00 55.73 53.41 1re5 s ARG 283 Cb -0.12 -0.68 -0.07 0.00 -0.45 0.00 0.00 34.95 33.62 1re5 s ARG 283 CO 0.15 -1.16 0.63 -0.80 -0.68 0.00 0.00 175.30 173.44 1re5 s ASN 284 N 1.64 7.17 -1.29 0.23 0.02 -1.26 -5.00 114.94 116.44 1re5 s ASN 284 Ca 0.15 1.38 -0.16 0.00 -1.02 0.00 0.00 52.86 53.21 1re5 s ASN 284 Cb -0.15 -2.40 0.09 0.00 0.02 0.00 0.00 41.25 38.81 1re5 s ASN 284 CO -0.10 0.26 1.72 -0.81 0.02 0.00 0.00 177.10 178.19 1re5 n PRO 285 N 1.68 3.22 0.20 -0.60 -0.04 -1.26 -4.75 135.00 133.46 1re5 n PRO 285 Ca -0.09 -3.36 0.06 0.00 -0.04 0.00 0.00 63.50 60.07 1re5 n PRO 285 Cb 0.50 -3.35 0.42 0.00 -0.04 0.00 0.00 33.50 31.03 1re5 n PRO 285 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1re5 h VAL 286 N 5.13 0.96 -0.03 0.52 -1.51 -1.98 -2.59 116.25 116.75 1re5 h VAL 286 Ca 0.43 -1.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.58 1re5 h VAL 286 Cb 0.84 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1re5 h VAL 286 CO 1.46 0.32 -0.21 1.23 -1.23 0.00 0.00 177.57 179.14 1re5 h GLY 287 N 1.49 0.22 1.64 5.19 0.00 -1.95 -3.17 103.07 106.49 1re5 h GLY 287 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1re5 h GLY 287 CO 0.04 0.29 0.16 0.00 0.00 0.00 0.00 176.54 177.03 1re5 h ALA 288 N 0.37 2.03 -0.71 3.60 0.00 -1.85 -0.98 119.26 121.71 1re5 h ALA 288 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1re5 h ALA 288 Cb 0.89 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1re5 h ALA 288 CO 0.04 -0.08 0.42 0.00 0.00 0.00 0.00 179.25 179.64 1re5 h ALA 289 N 1.87 0.96 -0.24 0.00 0.00 -1.44 0.40 119.26 120.81 1re5 h ALA 289 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1re5 h ALA 289 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1re5 h ALA 289 CO -0.02 0.13 0.08 0.28 0.00 0.00 0.00 179.25 179.72 1re5 h VAL 290 N 0.78 1.19 -0.51 0.00 2.07 -1.21 0.10 116.25 118.68 1re5 h VAL 290 Ca 0.31 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1re5 h VAL 290 Cb 0.15 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1re5 h VAL 290 CO -0.16 0.20 0.29 -0.07 0.02 0.00 0.00 177.57 177.84 1re5 h LEU 291 N 0.22 0.63 -0.71 2.57 3.38 -1.23 -0.57 115.31 119.60 1re5 h LEU 291 Ca 0.08 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1re5 h LEU 291 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1re5 h LEU 291 CO -0.00 0.53 -0.07 0.40 0.09 0.00 0.00 178.44 179.39 1re5 h ILE 292 N 0.68 1.26 -0.15 1.22 2.04 -0.82 -1.83 117.51 119.91 1re5 h ILE 292 Ca 0.18 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1re5 h ILE 292 Cb 0.03 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1re5 h ILE 292 CO -0.03 0.41 0.07 1.23 0.00 0.00 0.00 178.15 179.83 1re5 h GLY 293 N 0.98 0.19 1.00 5.37 0.00 -0.29 -1.75 103.07 108.57 1re5 h GLY 293 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1re5 h GLY 293 CO 0.04 0.04 0.26 0.00 0.00 0.00 0.00 176.54 176.88 1re5 h ALA 294 N 1.08 0.51 0.00 3.60 0.00 -0.95 0.26 119.26 123.76 1re5 h ALA 294 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1re5 h ALA 294 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1re5 h ALA 294 CO -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1re5 h ALA 295 N 1.14 1.00 0.01 0.00 0.00 -1.06 -1.15 119.26 119.20 1re5 h ALA 295 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 1re5 h ALA 295 Cb -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1re5 h ALA 295 CO -0.03 0.00 -2.09 2.41 0.00 0.00 0.00 179.25 179.54 1re5 n THR 296 N -2.72 1.53 0.06 0.00 -1.04 -0.34 -4.52 114.28 107.25 1re5 n THR 296 Ca -0.02 -0.78 -0.20 0.00 -2.04 0.00 0.00 64.05 61.01 1re5 n THR 296 Cb 0.09 -0.94 -0.15 0.00 -1.82 0.00 0.00 70.33 67.51 1re5 n THR 296 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1re5 h ARG 297 N 0.01 0.32 -0.85 -2.82 2.47 -0.49 -3.40 114.38 109.62 1re5 h ARG 297 Ca -0.43 -0.54 0.01 0.00 -1.26 0.00 0.00 59.98 57.75 1re5 h ARG 297 Cb 2.09 0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 30.57 1re5 h ARG 297 CO 0.04 1.21 0.56 0.28 0.56 0.00 0.00 179.97 182.62 1re5 h VAL 298 N 0.09 1.21 -0.77 2.04 2.07 -1.47 -2.96 116.25 116.45 1re5 h VAL 298 Ca -0.32 -0.39 0.16 0.00 0.82 0.00 0.00 66.70 66.97 1re5 h VAL 298 Cb 2.06 -0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.70 1re5 h VAL 298 CO 0.16 0.21 0.26 -0.65 0.02 0.00 0.00 177.57 177.57 1re5 h PRO 299 N 1.14 0.35 -0.43 1.57 0.11 -1.79 0.67 132.00 133.62 1re5 h PRO 299 Ca 0.31 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.37 1re5 h PRO 299 Cb -0.11 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 1re5 h PRO 299 CO -0.07 0.23 0.12 0.78 -0.21 0.00 0.00 178.00 178.85 1re5 h GLY 300 N 0.36 0.73 1.03 -0.55 0.00 -1.78 -1.84 103.07 101.02 1re5 h GLY 300 Ca 0.44 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1re5 h GLY 300 CO -0.47 0.41 0.44 1.41 0.00 0.00 0.00 176.54 178.33 1re5 h LEU 301 N 0.56 1.10 -0.31 3.11 3.38 -1.17 -2.61 115.31 119.37 1re5 h LEU 301 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1re5 h LEU 301 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1re5 h LEU 301 CO -0.00 0.90 0.15 -0.07 0.09 0.00 0.00 178.44 179.51 1re5 h LEU 302 N 1.21 0.41 -2.17 1.67 4.07 -0.70 -2.25 115.31 117.54 1re5 h LEU 302 Ca 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1re5 h LEU 302 Cb 0.07 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1re5 h LEU 302 CO -0.04 0.42 -0.04 0.77 -1.08 0.00 0.00 178.44 178.47 1re5 h SER 303 N 0.36 0.00 -0.47 -0.43 4.64 -1.10 -0.33 113.55 116.22 1re5 h SER 303 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1re5 h SER 303 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1re5 h SER 303 CO -0.01 0.04 0.15 0.74 -0.87 0.00 0.00 176.83 176.88 1re5 h THR 304 N 0.00 1.23 -0.76 2.95 2.02 -1.03 0.56 112.91 117.87 1re5 h THR 304 Ca -0.00 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1re5 h THR 304 Cb 0.10 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1re5 h THR 304 CO 0.01 0.27 0.30 -0.07 0.37 0.00 0.00 175.52 176.40 1re5 h LEU 305 N 0.63 1.05 -0.41 2.58 3.38 -0.92 -1.19 115.31 120.43 1re5 h LEU 305 Ca 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1re5 h LEU 305 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1re5 h LEU 305 CO -0.00 0.94 0.11 -0.26 0.09 0.00 0.00 178.44 179.32 1re5 h PHE 306 N 1.10 0.68 -0.11 1.13 -1.00 -0.81 -2.63 116.94 115.30 1re5 h PHE 306 Ca 0.25 -0.08 0.03 0.00 2.81 0.00 0.00 57.97 60.99 1re5 h PHE 306 Cb 0.22 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1re5 h PHE 306 CO 0.02 0.64 0.10 0.00 -1.61 0.00 0.00 178.31 177.45 1re5 h ALA 307 N 0.96 1.85 -0.41 2.45 0.00 0.57 -2.11 119.26 122.58 1re5 h ALA 307 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1re5 h ALA 307 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1re5 h ALA 307 CO -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1re5 n ALA 308 N -2.43 2.44 -0.04 0.00 0.00 -0.49 -4.46 120.51 115.53 1re5 n ALA 308 Ca -0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 1re5 n ALA 308 Cb 0.21 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1re5 n ALA 308 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1re5 h MET 309 N 2.52 0.73 -4.04 0.00 2.86 -1.40 -3.37 114.93 112.23 1re5 h MET 309 Ca 0.00 -0.45 -0.60 0.00 -2.06 0.00 0.00 59.70 56.59 1re5 h MET 309 Cb 0.58 0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.31 1re5 h MET 309 CO 0.00 1.08 2.63 -0.35 1.06 0.00 0.00 176.91 181.33 1re5 n PRO 310 N -3.99 2.03 -2.83 -0.22 -0.04 -1.26 -4.77 135.00 123.93 1re5 n PRO 310 Ca -0.04 -1.91 -0.42 0.00 -0.04 0.00 0.00 63.50 61.10 1re5 n PRO 310 Cb 0.61 -2.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 1re5 n PRO 310 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1re5 s GLN 311 N 4.10 4.37 0.29 0.54 -0.21 -1.26 -5.01 119.66 122.48 1re5 s GLN 311 Ca 0.52 1.15 -0.29 0.00 0.02 0.00 0.00 55.36 56.75 1re5 s GLN 311 Cb 0.14 -3.54 -0.10 0.00 1.00 0.00 0.00 33.01 30.50 1re5 s GLN 311 CO 0.03 -0.27 1.34 -1.83 -2.12 0.00 0.00 175.29 172.45 1re5 s GLU 312 N 1.90 4.34 0.63 2.91 4.04 -1.26 -4.85 118.70 126.40 1re5 s GLU 312 Ca 0.42 2.21 0.00 0.00 0.04 0.00 0.00 54.97 57.65 1re5 s GLU 312 Cb -0.17 -3.10 0.00 0.00 0.02 0.00 0.00 34.13 30.88 1re5 s GLU 312 CO 0.16 -0.26 0.00 0.72 -1.84 0.00 0.00 175.26 174.04 1re5 n HIS 313 N 1.48 0.00 0.60 4.83 8.25 -1.26 -2.88 115.22 126.24 1re5 n HIS 313 Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1re5 n HIS 313 Cb 0.41 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.87 1re5 n HIS 313 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1re5 h GLU 314 N 0.00 0.00 -1.10 -0.41 3.07 -1.93 -3.43 114.58 110.78 1re5 h GLU 314 Ca 0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.03 1re5 h GLU 314 Cb 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.63 1re5 h GLU 314 CO 0.00 0.00 0.47 0.50 -1.40 0.00 0.00 179.01 178.58 1re5 s ARG 315 N -3.12 0.22 -0.12 2.33 3.52 -1.14 -4.58 118.95 116.06 1re5 s ARG 315 Ca 0.09 0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.08 1re5 s ARG 315 Cb 0.12 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 1re5 s ARG 315 CO 0.63 -0.06 0.07 0.45 -0.81 0.00 0.00 175.30 175.58 1re5 s SER 316 N 1.59 5.80 -0.12 -2.12 0.15 -1.24 -4.80 113.70 112.96 1re5 s SER 316 Ca -0.06 0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 1re5 s SER 316 Cb -0.03 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1re5 s SER 316 CO -0.14 0.34 0.10 -1.48 1.20 0.00 0.00 173.24 173.26 1re5 s LEU 317 N -0.65 4.13 0.00 3.45 -0.00 -1.26 -3.82 118.68 120.53 1re5 s LEU 317 Ca 0.12 0.35 0.00 0.00 -0.00 0.00 0.00 54.13 54.59 1re5 s LEU 317 Cb -0.12 -2.00 0.00 0.00 -0.00 0.00 0.00 46.19 44.07 1re5 s LEU 317 CO 0.02 0.37 0.00 0.61 -0.00 0.00 0.00 176.35 177.36 1re5 n GLY 318 N 2.21 2.11 0.29 -3.48 0.00 -1.26 -4.63 105.19 100.42 1re5 n GLY 318 Ca -0.19 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 1re5 n GLY 318 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1re5 h LEU 319 N 0.00 0.86 -0.56 0.99 3.38 -1.91 -0.16 115.31 117.91 1re5 h LEU 319 Ca 0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1re5 h LEU 319 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1re5 h LEU 319 CO 0.00 0.65 -0.22 -0.25 0.09 0.00 0.00 178.44 178.71 1re5 h TRP 320 N 1.00 1.05 -0.15 1.13 7.01 -1.82 -2.75 115.95 121.42 1re5 h TRP 320 Ca 0.27 -0.25 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 1re5 h TRP 320 Cb -0.07 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 1re5 h TRP 320 CO -0.02 1.05 -0.06 0.45 -2.79 0.00 0.00 178.44 177.07 1re5 h HIS 321 N 0.80 0.23 0.00 2.65 3.86 -1.66 -2.24 115.15 118.78 1re5 h HIS 321 Ca 0.10 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1re5 h HIS 321 Cb 0.78 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1re5 h HIS 321 CO 0.05 0.29 -0.06 0.00 0.86 0.00 0.00 177.93 179.08 1re5 h ALA 322 N 1.72 1.20 -0.07 2.45 0.00 -0.73 -2.90 119.26 120.93 1re5 h ALA 322 Ca 0.05 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1re5 h ALA 322 Cb 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1re5 h ALA 322 CO 0.01 0.07 -0.91 0.93 0.00 0.00 0.00 179.25 179.35 1re5 h GLU 323 N 0.00 0.74 -0.88 0.00 5.08 -1.44 -3.36 114.58 114.72 1re5 h GLU 323 Ca -0.00 -0.69 0.13 0.00 -1.00 0.00 0.00 59.36 57.80 1re5 h GLU 323 Cb 0.24 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 1re5 h GLU 323 CO 0.01 1.28 -0.36 0.91 -1.00 0.00 0.00 179.01 179.85 1re5 n TRP 324 N -3.89 -0.02 0.35 4.33 8.01 -1.10 -2.12 117.44 123.01 1re5 n TRP 324 Ca -0.09 1.08 0.11 0.00 -1.31 0.00 0.00 57.50 57.29 1re5 n TRP 324 Cb 0.82 -0.80 -0.09 0.00 -2.01 0.00 0.00 31.31 29.23 1re5 n TRP 324 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1re5 n GLU 325 N -5.27 0.43 0.02 -0.99 -0.58 -1.26 -4.42 120.64 108.57 1re5 n GLU 325 Ca 0.08 -0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 1re5 n GLU 325 Cb 0.34 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 1re5 n GLU 325 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1re5 h THR 326 N 0.00 1.20 -0.31 2.62 2.02 -1.57 -2.62 112.91 114.26 1re5 h THR 326 Ca 0.00 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.29 1re5 h THR 326 Cb 0.83 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 1re5 h THR 326 CO 0.00 0.23 0.14 0.25 0.37 0.00 0.00 175.52 176.51 1re5 h LEU 327 N -0.49 0.20 -1.01 2.58 6.46 -1.70 -2.02 115.31 119.33 1re5 h LEU 327 Ca -0.01 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1re5 h LEU 327 Cb 0.43 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1re5 h LEU 327 CO 0.01 0.16 0.66 -0.65 -0.62 0.00 0.00 178.44 178.00 1re5 h PRO 328 N 0.30 1.27 -0.74 5.25 0.11 -1.77 -1.53 132.00 134.89 1re5 h PRO 328 Ca 0.13 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 66.21 1re5 h PRO 328 Cb 0.06 -0.29 -0.05 0.00 0.11 0.00 0.00 31.00 30.83 1re5 h PRO 328 CO -0.10 0.84 0.45 -0.44 -0.21 0.00 0.00 178.00 178.54 1re5 h ASP 329 N 1.31 0.72 -0.08 -2.05 3.45 -1.02 -0.93 116.42 117.82 1re5 h ASP 329 Ca 0.39 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.86 1re5 h ASP 329 Cb -0.05 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1re5 h ASP 329 CO -0.11 0.48 0.05 0.40 -1.57 0.00 0.00 179.24 178.49 1re5 h ILE 330 N 0.85 1.05 -0.62 0.35 2.04 -0.62 0.03 117.51 120.59 1re5 h ILE 330 Ca 0.32 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1re5 h ILE 330 Cb 0.11 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1re5 h ILE 330 CO -0.15 0.05 0.36 0.00 0.00 0.00 0.00 178.15 178.41 1re5 h LEU 333 N 0.23 -0.16 -0.67 0.00 4.07 -0.68 -1.81 115.31 116.29 1re5 h LEU 333 Ca 0.08 0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 1re5 h LEU 333 Cb 0.34 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1re5 h LEU 333 CO 0.01 -0.05 -0.16 0.58 -1.08 0.00 0.00 178.44 177.74 1re5 h VAL 334 N 0.05 1.27 -0.78 1.22 2.07 -1.15 -2.50 116.25 116.43 1re5 h VAL 334 Ca 0.13 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1re5 h VAL 334 Cb 0.18 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1re5 h VAL 334 CO -0.24 0.44 0.51 0.77 0.02 0.00 0.00 177.57 179.07 1re5 h SER 335 N 0.77 0.87 0.34 0.57 4.64 -0.60 -0.48 113.55 119.66 1re5 h SER 335 Ca 0.12 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 1re5 h SER 335 Cb 0.69 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1re5 h SER 335 CO 0.05 0.62 -0.52 1.23 -0.87 0.00 0.00 176.83 177.35 1re5 h GLY 336 N 1.02 0.22 0.97 -0.77 0.00 -1.07 -1.77 103.07 101.66 1re5 h GLY 336 Ca 0.29 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 1re5 h GLY 336 CO -0.07 0.21 -0.44 0.00 0.00 0.00 0.00 176.54 176.24 1re5 h ALA 337 N 1.31 0.32 -0.63 3.60 0.00 -0.87 -2.13 119.26 120.87 1re5 h ALA 337 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1re5 h ALA 337 Cb 0.96 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1re5 h ALA 337 CO 0.08 0.45 0.38 -0.07 0.00 0.00 0.00 179.25 180.09 1re5 h LEU 338 N 0.34 0.75 0.08 0.00 3.38 -1.04 0.73 115.31 119.54 1re5 h LEU 338 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1re5 h LEU 338 Cb 1.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1re5 h LEU 338 CO 0.10 0.58 -0.09 -0.09 0.09 0.00 0.00 178.44 179.03 1re5 h ARG 339 N 0.85 -0.18 -0.26 1.13 2.43 -1.24 -1.71 114.38 115.39 1re5 h ARG 339 Ca 0.23 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1re5 h ARG 339 Cb -0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1re5 h ARG 339 CO -0.04 -0.12 -0.21 0.37 -1.51 0.00 0.00 179.97 178.46 1re5 h GLN 340 N -0.19 0.48 -0.08 0.20 5.75 -1.18 -2.71 115.11 117.39 1re5 h GLN 340 Ca 0.01 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.27 1re5 h GLN 340 Cb 0.18 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1re5 h GLN 340 CO -0.03 0.67 -0.29 0.00 -2.65 0.00 0.00 178.83 176.53 1re5 h ALA 341 N 1.35 1.37 -0.28 3.38 0.00 -0.56 -2.49 119.26 122.03 1re5 h ALA 341 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1re5 h ALA 341 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1re5 h ALA 341 CO 0.04 0.45 -0.17 0.37 0.00 0.00 0.00 179.25 179.93 1re5 h GLN 342 N 0.14 0.61 0.15 0.00 5.75 -1.01 -0.29 115.11 120.46 1re5 h GLN 342 Ca 0.02 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1re5 h GLN 342 Cb 0.58 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1re5 h GLN 342 CO 0.04 0.87 -0.14 0.28 -2.65 0.00 0.00 178.83 177.23 1re5 h VAL 343 N 0.34 0.69 -0.09 2.39 2.07 -1.24 -2.08 116.25 118.33 1re5 h VAL 343 Ca 0.06 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 1re5 h VAL 343 Cb 0.70 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1re5 h VAL 343 CO 0.05 0.00 -0.50 0.16 0.02 0.00 0.00 177.57 177.30 1re5 h ILE 344 N -0.31 1.35 -0.67 4.57 3.07 -1.46 -2.85 117.51 121.20 1re5 h ILE 344 Ca 0.00 -1.73 -0.04 0.00 1.55 0.00 0.00 64.86 64.64 1re5 h ILE 344 Cb 0.30 1.83 -0.03 0.00 -0.27 0.00 0.00 36.82 38.65 1re5 h ILE 344 CO -0.03 0.51 0.27 0.00 -1.05 0.00 0.00 178.15 177.85 1re5 h ALA 345 N 1.30 0.87 -0.00 0.16 0.00 -0.80 -1.57 119.26 119.21 1re5 h ALA 345 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1re5 h ALA 345 Cb 0.95 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1re5 h ALA 345 CO 0.08 0.48 -0.25 -0.85 0.00 0.00 0.00 179.25 178.71 1re5 n GLU 346 N -4.41 0.42 -0.20 0.00 0.28 -0.80 -4.27 120.64 111.66 1re5 n GLU 346 Ca 0.05 -0.19 0.02 0.00 -0.16 0.00 0.00 57.16 56.87 1re5 n GLU 346 Cb 0.17 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.57 1re5 n GLU 346 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1re5 n GLY 347 N 1.39 0.61 3.77 -1.84 0.00 -1.08 -5.08 105.19 102.96 1re5 n GLY 347 Ca 0.10 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1re5 n GLY 347 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1re5 s MET 348 N -0.66 4.01 -0.15 1.61 0.23 -0.60 -3.84 119.30 119.90 1re5 s MET 348 Ca 0.06 1.85 -0.16 0.00 -1.03 0.00 0.00 55.69 56.41 1re5 s MET 348 Cb 0.05 -2.64 -0.04 0.00 -1.53 0.00 0.00 34.83 30.66 1re5 s MET 348 CO 0.01 -0.36 0.38 -1.21 -2.03 0.00 0.00 175.02 171.80 1re5 s GLU 349 N -2.35 4.28 -0.09 3.16 2.02 -0.13 -4.91 118.70 120.70 1re5 s GLU 349 Ca 0.58 0.25 -0.01 0.00 0.02 0.00 0.00 54.97 55.81 1re5 s GLU 349 Cb -0.31 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 1re5 s GLU 349 CO 0.39 0.18 -0.04 0.08 0.02 0.00 0.00 175.26 175.88 1re5 s VAL 350 N 0.62 3.91 -0.74 2.63 1.01 -1.26 -1.08 120.40 125.49 1re5 s VAL 350 Ca 0.21 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1re5 s VAL 350 Cb -0.14 -2.63 0.18 0.00 0.00 0.00 0.00 36.38 33.79 1re5 s VAL 350 CO 0.07 0.58 0.56 -0.62 0.00 0.00 0.00 175.10 175.69 1re5 s ASP 351 N -0.64 5.15 0.51 3.32 -1.08 -0.36 -4.92 116.67 118.66 1re5 s ASP 351 Ca 0.10 -3.71 0.17 0.00 -0.52 0.00 0.00 52.55 48.58 1re5 s ASP 351 Cb -0.12 -1.73 1.24 0.00 -1.46 0.00 0.00 42.92 40.86 1re5 s ASP 351 CO 0.02 -0.14 2.11 0.00 0.52 0.00 0.00 175.17 177.68 1re5 h ALA 352 N 5.73 2.05 -0.18 3.66 0.00 -1.96 -1.95 119.26 126.61 1re5 h ALA 352 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1re5 h ALA 352 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1re5 h ALA 352 CO 0.76 -0.09 0.05 0.00 0.00 0.00 0.00 179.25 179.97 1re5 h ALA 353 N 1.92 0.24 -0.45 0.00 0.00 -1.97 -1.58 119.26 117.43 1re5 h ALA 353 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1re5 h ALA 353 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1re5 h ALA 353 CO -0.01 -0.12 0.01 -0.09 0.00 0.00 0.00 179.25 179.04 1re5 h ARG 354 N 0.11 0.74 -0.72 0.00 9.65 -1.76 -1.21 114.38 121.18 1re5 h ARG 354 Ca 0.06 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1re5 h ARG 354 Cb 0.26 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1re5 h ARG 354 CO 0.00 0.75 0.42 0.52 2.80 0.00 0.00 179.97 184.46 1re5 h MET 355 N 0.69 0.99 -0.03 0.20 2.86 -1.10 0.17 114.93 118.72 1re5 h MET 355 Ca 0.14 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1re5 h MET 355 Cb 0.42 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1re5 h MET 355 CO 0.02 0.72 0.02 0.00 1.06 0.00 0.00 176.91 178.72 1re5 h ARG 356 N 0.99 0.04 -0.39 1.72 2.47 -0.81 -1.63 114.38 116.77 1re5 h ARG 356 Ca 0.26 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 59.03 1re5 h ARG 356 Cb -0.00 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.26 1re5 h ARG 356 CO -0.05 0.14 0.10 -0.09 0.56 0.00 0.00 179.97 180.63 1re5 h ARG 357 N -0.06 0.23 0.00 0.04 2.43 -0.78 -1.31 114.38 114.93 1re5 h ARG 357 Ca 0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1re5 h ARG 357 Cb 0.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1re5 h ARG 357 CO -0.00 0.15 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.50 1re5 h ASN 358 N 0.24 0.00 -0.64 -3.80 2.35 -0.53 -3.14 115.58 110.06 1re5 h ASN 358 Ca 0.18 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.02 1re5 h ASN 358 Cb 0.20 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 1re5 h ASN 358 CO -0.22 0.20 0.29 -0.07 -1.65 0.00 0.00 177.43 175.99 1re5 h LEU 359 N 0.00 0.37 -5.41 1.61 3.38 -0.23 -2.50 115.31 112.54 1re5 h LEU 359 Ca -0.00 0.06 -0.75 0.00 0.09 0.00 0.00 57.88 57.28 1re5 h LEU 359 Cb 0.37 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.82 1re5 h LEU 359 CO 0.03 0.22 0.69 -0.90 0.09 0.00 0.00 178.44 178.57 1re5 n ASP 360 N -4.91 6.88 0.09 -0.43 5.75 -1.18 -4.30 116.55 118.44 1re5 n ASP 360 Ca 0.09 -3.76 0.06 0.00 -0.01 0.00 0.00 54.79 51.17 1re5 n ASP 360 Cb 0.25 -0.99 -0.02 0.00 -1.03 0.00 0.00 41.12 39.33 1re5 n ASP 360 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1re5 h LEU 361 N 3.37 0.00 -2.55 -2.12 5.85 -1.59 -3.00 115.31 115.27 1re5 h LEU 361 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1re5 h LEU 361 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1re5 h LEU 361 CO 1.22 0.28 0.00 0.35 -0.34 0.00 0.00 178.44 179.95 1re5 n THR 362 N -2.85 0.85 -3.75 1.05 -2.24 -1.26 -4.97 114.28 101.11 1re5 n THR 362 Ca -0.03 -0.91 -0.24 0.00 -2.27 0.00 0.00 64.05 60.60 1re5 n THR 362 Cb 0.68 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 1re5 n THR 362 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1re5 n GLN 363 N 1.56 -3.55 -0.39 -0.78 6.02 -1.14 -2.37 117.38 116.73 1re5 n GLN 363 Ca 0.23 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 1re5 n GLN 363 Cb 0.60 -4.79 0.00 0.00 1.02 0.00 0.00 30.24 27.07 1re5 n GLN 363 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1re5 n GLY 364 N -1.70 1.89 0.25 1.08 0.00 -1.26 -2.04 105.19 103.41 1re5 n GLY 364 Ca -0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1re5 n GLY 364 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1re5 h LEU 365 N 0.00 0.00 -0.17 0.99 3.38 -1.86 -0.32 115.31 117.34 1re5 h LEU 365 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1re5 h LEU 365 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1re5 h LEU 365 CO 0.00 0.12 0.00 0.55 0.09 0.00 0.00 178.44 179.20 1re5 n VAL 366 N -4.00 0.78 0.44 1.22 3.14 -1.26 -2.06 118.33 116.59 1re5 n VAL 366 Ca -0.02 0.17 0.07 0.00 -2.96 0.00 0.00 64.34 61.60 1re5 n VAL 366 Cb 0.21 -0.94 0.09 0.00 -1.06 0.00 0.00 33.84 32.14 1re5 n VAL 366 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1re5 n LEU 367 N -1.72 2.43 -0.32 6.55 4.32 -0.15 -4.33 117.00 123.78 1re5 n LEU 367 Ca 0.04 -1.21 0.13 0.00 -0.02 0.00 0.00 56.01 54.95 1re5 n LEU 367 Cb 0.23 -0.06 0.31 0.00 -1.62 0.00 0.00 43.42 42.27 1re5 n LEU 367 CO 0.18 0.49 1.11 0.00 -1.22 0.00 0.00 177.39 177.95 1re5 h ALA 368 N 2.85 1.52 -0.74 -1.18 0.00 -1.21 -1.15 119.26 119.34 1re5 h ALA 368 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1re5 h ALA 368 Cb 0.65 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1re5 h ALA 368 CO 0.00 -0.22 0.44 1.49 0.00 0.00 0.00 179.25 180.96 1re5 h GLU 369 N 0.55 0.80 -0.13 0.00 4.81 -1.81 0.35 114.58 119.15 1re5 h GLU 369 Ca 0.56 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 1re5 h GLU 369 Cb 0.98 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1re5 h GLU 369 CO -0.46 0.53 -0.07 0.00 -0.73 0.00 0.00 179.01 178.28 1re5 h ALA 370 N 1.36 1.64 0.19 2.92 0.00 -1.54 -2.43 119.26 121.39 1re5 h ALA 370 Ca 0.32 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.76 1re5 h ALA 370 Cb 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1re5 h ALA 370 CO -0.16 0.27 -1.56 0.28 0.00 0.00 0.00 179.25 178.07 1re5 h VAL 371 N 0.19 1.16 -1.00 0.00 2.07 -1.33 -3.33 116.25 114.00 1re5 h VAL 371 Ca 0.04 -2.70 0.16 0.00 0.82 0.00 0.00 66.70 65.02 1re5 h VAL 371 Cb 0.26 2.87 -0.10 0.00 -1.52 0.00 0.00 31.29 32.80 1re5 h VAL 371 CO 0.01 0.84 0.62 -1.28 0.02 0.00 0.00 177.57 177.78 1re5 h SER 372 N 0.11 0.83 -0.21 0.57 0.87 -0.47 -0.75 113.55 114.49 1re5 h SER 372 Ca -0.27 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.24 1re5 h SER 372 Cb 2.09 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.97 1re5 h SER 372 CO 0.21 0.36 -0.34 0.16 -0.53 0.00 0.00 176.83 176.69 1re5 h ILE 373 N 0.85 1.32 0.21 2.23 3.07 -1.61 -2.26 117.51 121.33 1re5 h ILE 373 Ca 0.54 -1.56 -0.01 0.00 1.55 0.00 0.00 64.86 65.39 1re5 h ILE 373 Cb 0.74 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 1re5 h ILE 373 CO -0.33 0.48 -0.10 0.58 -1.05 0.00 0.00 178.15 177.73 1re5 h VAL 374 N 0.30 0.86 0.00 0.16 2.07 -1.52 -2.17 116.25 115.95 1re5 h VAL 374 Ca 0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1re5 h VAL 374 Cb 0.93 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1re5 h VAL 374 CO 0.08 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1re5 n LEU 375 N -5.11 0.00 -0.08 2.57 4.77 -0.35 -1.87 117.00 116.93 1re5 n LEU 375 Ca -0.09 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 1re5 n LEU 375 Cb 0.21 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1re5 n LEU 375 CO 0.33 -0.23 0.43 0.00 -1.33 0.00 0.00 177.39 176.59 1re5 h ALA 376 N 2.44 0.45 0.11 -1.18 0.00 -0.76 -2.87 119.26 117.45 1re5 h ALA 376 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 54.91 54.10 1re5 h ALA 376 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1re5 h ALA 376 CO 0.00 0.67 -1.52 -0.56 0.00 0.00 0.00 179.25 177.84 1re5 h GLN 377 N 0.67 0.23 -0.91 0.00 3.07 -1.36 -2.87 115.11 113.94 1re5 h GLN 377 Ca 0.01 -0.39 0.16 0.00 0.09 0.00 0.00 58.65 58.53 1re5 h GLN 377 Cb 1.16 0.14 -0.07 0.00 0.08 0.00 0.00 27.48 28.79 1re5 h GLN 377 CO 0.12 1.18 0.59 0.00 0.09 0.00 0.00 178.83 180.81 1re5 h ARG 378 N -0.29 0.63 0.00 0.06 2.47 -1.52 -3.44 114.38 112.30 1re5 h ARG 378 Ca -0.33 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1re5 h ARG 378 Cb 1.78 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.95 1re5 h ARG 378 CO 0.04 0.42 0.00 1.28 0.56 0.00 0.00 179.97 182.27 1re5 n LEU 379 N -4.58 0.00 -4.75 3.04 4.77 -1.08 -5.09 117.00 109.31 1re5 n LEU 379 Ca 0.19 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 1re5 n LEU 379 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1re5 n LEU 379 CO 0.29 0.00 0.13 -0.83 -1.33 0.00 0.00 177.39 175.64 1re5 s GLY 380 N 0.00 2.39 0.54 -0.72 0.00 -1.26 -4.74 107.32 103.53 1re5 s GLY 380 Ca 0.00 -0.23 0.30 0.00 0.00 0.00 0.00 44.72 44.78 1re5 s GLY 380 CO 0.00 0.58 1.92 0.07 0.00 0.00 0.00 173.10 175.67 1re5 h ARG 381 N 6.25 0.00 0.19 2.90 0.11 -1.78 1.38 114.38 123.44 1re5 h ARG 381 Ca -0.43 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.33 1re5 h ARG 381 Cb 1.19 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.30 1re5 h ARG 381 CO 0.72 0.00 -1.37 0.22 0.10 0.00 0.00 179.97 179.65 1re5 h ASP 382 N 0.00 0.81 0.02 0.08 1.82 -1.91 -2.97 116.42 114.26 1re5 h ASP 382 Ca 0.35 -0.82 -0.26 0.00 -0.39 0.00 0.00 57.03 55.91 1re5 h ASP 382 Cb 1.45 -0.26 0.02 0.00 0.68 0.00 0.00 39.33 41.22 1re5 h ASP 382 CO -0.00 1.63 -1.03 -0.09 -1.61 0.00 0.00 179.24 178.14 1re5 h ARG 383 N 0.18 0.66 -0.61 0.28 2.43 -0.85 -3.26 114.38 113.21 1re5 h ARG 383 Ca -0.22 -0.74 0.01 0.00 -0.81 0.00 0.00 59.98 58.23 1re5 h ARG 383 Cb 2.06 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 31.79 1re5 h ARG 383 CO 0.25 1.32 0.39 0.00 -1.51 0.00 0.00 179.97 180.42 1re5 h ALA 384 N 0.37 0.78 0.05 2.80 0.00 0.15 -1.28 119.26 122.13 1re5 h ALA 384 Ca -0.13 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1re5 h ALA 384 Cb 1.69 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1re5 h ALA 384 CO 0.20 0.17 -0.45 1.25 0.00 0.00 0.00 179.25 180.43 1re5 h HIS 385 N 0.79 -1.27 0.23 0.00 -0.00 -1.59 0.17 115.15 113.48 1re5 h HIS 385 Ca 0.23 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.65 1re5 h HIS 385 Cb -0.05 0.55 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1re5 h HIS 385 CO -0.04 -0.53 -0.39 1.25 -0.00 0.00 0.00 177.93 178.22 1re5 h HIS 386 N -0.64 -1.08 -0.79 5.26 6.17 -1.55 -1.98 115.15 120.54 1re5 h HIS 386 Ca 0.03 0.02 0.21 0.00 0.71 0.00 0.00 60.37 61.33 1re5 h HIS 386 Cb 0.69 0.44 -0.04 0.00 2.52 0.00 0.00 27.41 31.02 1re5 h HIS 386 CO -0.42 -0.51 0.55 1.25 0.71 0.00 0.00 177.93 179.51 1re5 h LEU 387 N -0.69 0.16 0.21 0.26 5.85 -0.91 -1.59 115.31 118.60 1re5 h LEU 387 Ca 0.00 0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.45 1re5 h LEU 387 Cb 0.68 -0.02 0.03 0.00 0.37 0.00 0.00 40.66 41.72 1re5 h LEU 387 CO -0.16 0.07 -1.25 0.25 -0.34 0.00 0.00 178.44 177.01 1re5 h LEU 388 N 0.16 0.71 -1.35 2.25 5.85 -0.12 -2.84 115.31 119.98 1re5 h LEU 388 Ca 0.39 -0.93 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1re5 h LEU 388 Cb 1.29 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1re5 h LEU 388 CO -0.07 1.60 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.25 1re5 h GLU 389 N -0.05 0.36 -0.43 1.25 5.08 -0.81 -1.12 114.58 118.86 1re5 h GLU 389 Ca -0.22 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1re5 h GLU 389 Cb 1.98 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 1re5 h GLU 389 CO 0.23 0.44 0.09 0.37 -1.00 0.00 0.00 179.01 179.14 1re5 h GLN 390 N 0.35 0.69 -0.37 2.33 4.15 -1.35 -0.10 115.11 120.81 1re5 h GLN 390 Ca 0.07 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 1re5 h GLN 390 Cb 0.33 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1re5 h GLN 390 CO 0.01 0.71 -0.19 0.00 -1.93 0.00 0.00 178.83 177.44 1re5 h GLN 393 N -0.13 0.33 0.08 0.00 3.07 -0.92 -1.67 115.11 115.87 1re5 h GLN 393 Ca 0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 1re5 h GLN 393 Cb 0.76 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 28.26 1re5 h GLN 393 CO 0.04 0.22 -0.54 0.00 0.09 0.00 0.00 178.83 178.64 1re5 h ARG 394 N 0.34 0.16 -0.26 0.06 3.08 -1.25 -1.97 114.38 114.55 1re5 h ARG 394 Ca 0.34 -0.28 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1re5 h ARG 394 Cb 0.86 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1re5 h ARG 394 CO -0.09 1.13 0.32 0.00 -1.07 0.00 0.00 179.97 180.26 1re5 h ALA 395 N 0.02 1.88 0.00 0.04 0.00 -0.36 -1.03 119.26 119.81 1re5 h ALA 395 Ca -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1re5 h ALA 395 Cb 1.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1re5 h ALA 395 CO 0.07 -0.45 -0.35 0.28 0.00 0.00 0.00 179.25 178.79 1re5 h VAL 396 N 0.00 0.44 0.00 0.00 2.07 -1.37 0.10 116.25 117.49 1re5 h VAL 396 Ca 0.12 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1re5 h VAL 396 Cb 0.76 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1re5 h VAL 396 CO -0.00 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1re5 n ALA 397 N -3.12 -0.05 0.61 1.67 0.00 -0.74 -0.75 120.51 118.13 1re5 n ALA 397 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1re5 n ALA 397 Cb 0.27 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1re5 n ALA 397 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1re5 n GLU 398 N -1.22 0.61 -0.09 0.00 0.28 -0.47 -4.89 120.64 114.86 1re5 n GLU 398 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1re5 n GLU 398 Cb 0.00 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 31.60 1re5 n GLU 398 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1re5 n GLN 399 N 0.37 0.00 -3.58 3.44 10.64 0.07 -4.97 117.38 123.35 1re5 n GLN 399 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1re5 n GLN 399 Cb 0.21 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.53 1re5 n GLN 399 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1re5 s ARG 400 N 0.00 0.60 0.47 2.61 1.70 0.01 -5.00 118.95 119.34 1re5 s ARG 400 Ca 0.00 0.18 -0.19 0.00 -0.47 0.00 0.00 55.73 55.25 1re5 s ARG 400 Cb 0.00 0.28 -0.15 0.00 -0.57 0.00 0.00 34.95 34.51 1re5 s ARG 400 CO 0.00 -0.18 -0.05 1.58 -1.08 0.00 0.00 175.30 175.58 1re5 n HIS 401 N 0.85 -2.60 0.15 5.89 -0.00 -1.26 -4.58 115.22 113.66 1re5 n HIS 401 Ca -0.11 0.52 -0.00 0.00 -0.00 0.00 0.00 57.72 58.13 1re5 n HIS 401 Cb 0.58 -1.72 0.22 0.00 -0.00 0.00 0.00 29.99 29.07 1re5 n HIS 401 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1re5 h LEU 402 N 0.11 0.01 -0.60 0.27 6.46 -1.75 -2.88 115.31 116.93 1re5 h LEU 402 Ca -0.40 -0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.46 1re5 h LEU 402 Cb 1.45 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.30 1re5 h LEU 402 CO 0.44 0.55 0.21 -0.09 -0.62 0.00 0.00 178.44 178.94 1re5 h ARG 403 N 0.01 0.38 0.33 1.25 9.65 -1.89 -0.50 114.38 123.60 1re5 h ARG 403 Ca -0.01 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1re5 h ARG 403 Cb 0.97 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1re5 h ARG 403 CO 0.07 0.25 -0.16 0.00 2.80 0.00 0.00 179.97 182.93 1re5 h ALA 404 N 1.42 -0.44 -0.98 2.80 0.00 -1.87 -2.46 119.26 117.73 1re5 h ALA 404 Ca 0.31 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.25 1re5 h ALA 404 Cb 0.39 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1re5 h ALA 404 CO -0.32 -0.58 0.62 0.28 0.00 0.00 0.00 179.25 179.25 1re5 h VAL 405 N -0.77 0.64 0.00 0.00 2.07 -1.27 0.17 116.25 117.09 1re5 h VAL 405 Ca -0.05 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 1re5 h VAL 405 Cb 0.51 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1re5 h VAL 405 CO 0.07 0.09 -0.65 -0.07 0.02 0.00 0.00 177.57 177.04 1re5 h LEU 406 N 0.52 0.00 -0.90 2.57 3.38 -1.05 -3.03 115.31 116.79 1re5 h LEU 406 Ca 0.54 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.42 1re5 h LEU 406 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1re5 h LEU 406 CO -0.27 0.65 -0.43 1.23 0.09 0.00 0.00 178.44 179.70 1re5 h GLY 407 N 2.18 0.00 -2.15 0.83 0.00 -0.20 -2.76 103.07 100.97 1re5 h GLY 407 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1re5 h GLY 407 CO 0.08 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.84 1re5 n ASP 408 N -3.61 3.18 -4.44 0.19 10.43 -0.80 -4.73 116.55 116.77 1re5 n ASP 408 Ca -0.00 -2.10 -0.43 0.00 2.57 0.00 0.00 54.79 54.83 1re5 n ASP 408 Cb 0.53 -0.41 -0.10 0.00 1.84 0.00 0.00 41.12 42.99 1re5 n ASP 408 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1re5 s GLU 409 N -1.42 2.95 0.11 -1.24 2.56 -1.04 -5.00 118.70 115.62 1re5 s GLU 409 Ca 0.37 -1.09 -0.25 0.00 0.00 0.00 0.00 54.97 54.01 1re5 s GLU 409 Cb 0.21 -3.97 -0.07 0.00 2.00 0.00 0.00 34.13 32.29 1re5 s GLU 409 CO 0.23 -0.79 1.42 -1.35 -0.56 0.00 0.00 175.26 174.21 1re5 h PRO 410 N 8.63 -0.18 -0.99 4.30 0.11 -1.87 0.35 132.00 142.34 1re5 h PRO 410 Ca -0.27 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.94 1re5 h PRO 410 Cb 1.12 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1re5 h PRO 410 CO 0.75 -0.12 0.64 1.96 -0.21 0.00 0.00 178.00 181.01 1re5 h GLN 411 N -0.19 1.06 0.17 1.05 7.50 -1.95 0.56 115.11 123.31 1re5 h GLN 411 Ca 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 1re5 h GLN 411 Cb 0.40 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1re5 h GLN 411 CO -0.56 0.70 -0.08 0.28 -1.50 0.00 0.00 178.83 177.67 1re5 h VAL 412 N 1.09 0.87 0.00 -0.54 2.07 -1.65 -2.62 116.25 115.47 1re5 h VAL 412 Ca 0.45 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1re5 h VAL 412 Cb 0.29 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1re5 h VAL 412 CO -0.20 0.22 0.00 -1.54 0.02 0.00 0.00 177.57 176.07 1re5 n SER 413 N -4.94 0.21 0.10 0.57 3.41 0.12 0.17 113.62 113.26 1re5 n SER 413 Ca -0.08 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1re5 n SER 413 Cb 0.27 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1re5 n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1re5 h ALA 414 N 2.31 0.51 0.00 7.33 0.00 -0.86 -3.37 119.26 125.19 1re5 h ALA 414 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1re5 h ALA 414 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1re5 h ALA 414 CO 0.00 0.00 -1.95 0.39 0.00 0.00 0.00 179.25 177.69 1re5 n GLU 415 N -2.62 1.29 -4.60 0.00 -0.58 -0.25 -4.97 120.64 108.92 1re5 n GLU 415 Ca 0.00 -0.04 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 1re5 n GLU 415 Cb 0.54 -1.38 -0.17 0.00 -0.57 0.00 0.00 31.44 29.86 1re5 n GLU 415 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1re5 s LEU 416 N -4.84 1.67 1.17 -4.62 1.43 0.13 -5.09 118.68 108.52 1re5 s LEU 416 Ca -0.07 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1re5 s LEU 416 Cb 0.06 -0.92 0.27 0.00 0.03 0.00 0.00 46.19 45.63 1re5 s LEU 416 CO 0.62 0.04 1.06 -0.94 0.23 0.00 0.00 176.35 177.36 1re5 s SER 417 N 0.73 1.13 0.35 2.29 1.04 -1.26 -4.33 113.70 113.65 1re5 s SER 417 Ca -0.13 0.99 0.15 0.00 0.48 0.00 0.00 55.95 57.44 1re5 s SER 417 Cb -0.16 -1.50 0.62 0.00 0.10 0.00 0.00 66.02 65.08 1re5 s SER 417 CO 0.03 -4.03 1.74 1.23 0.98 0.00 0.00 173.24 173.18 1re5 h GLY 418 N -2.51 0.00 1.85 7.32 0.00 -1.99 -1.99 103.07 105.75 1re5 h GLY 418 Ca -0.51 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1re5 h GLY 418 CO 0.44 0.00 -0.79 1.05 0.00 0.00 0.00 176.54 177.24 1re5 h GLU 419 N 0.00 0.14 -0.14 4.80 -0.00 -2.00 -2.58 114.58 114.80 1re5 h GLU 419 Ca -0.00 -0.13 -0.21 0.00 -0.00 0.00 0.00 59.36 59.01 1re5 h GLU 419 Cb 0.86 0.03 0.01 0.00 -0.00 0.00 0.00 28.75 29.66 1re5 h GLU 419 CO 0.06 0.85 -0.74 0.93 -0.00 0.00 0.00 179.01 180.11 1re5 h GLU 420 N 0.08 0.74 -0.22 1.06 5.08 -1.81 -3.12 114.58 116.40 1re5 h GLU 420 Ca -0.03 -0.62 -0.10 0.00 -1.00 0.00 0.00 59.36 57.61 1re5 h GLU 420 Cb 1.38 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1re5 h GLU 420 CO 0.11 1.23 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.97 1re5 h LEU 421 N 0.45 0.45 -1.27 1.33 3.38 -1.40 -2.02 115.31 116.24 1re5 h LEU 421 Ca -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1re5 h LEU 421 Cb 1.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1re5 h LEU 421 CO 0.15 0.74 0.17 0.44 0.09 0.00 0.00 178.44 180.03 1re5 h ASP 422 N 0.38 0.62 -0.01 -0.43 3.45 -1.46 -2.22 116.42 116.74 1re5 h ASP 422 Ca 0.05 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 1re5 h ASP 422 Cb 0.73 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1re5 h ASP 422 CO 0.06 0.57 -0.17 -0.09 -1.57 0.00 0.00 179.24 178.03 1re5 h ARG 423 N 0.67 0.14 -0.85 3.56 2.43 -1.43 -3.18 114.38 115.72 1re5 h ARG 423 Ca 0.16 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1re5 h ARG 423 Cb 0.16 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1re5 h ARG 423 CO -0.01 0.85 0.56 -0.07 -1.51 0.00 0.00 179.97 179.78 1re5 h LEU 424 N -0.53 0.84 -1.66 3.80 3.38 -1.25 -0.46 115.31 119.43 1re5 h LEU 424 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1re5 h LEU 424 Cb 0.91 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1re5 h LEU 424 CO 0.03 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.29 1re5 n LEU 425 N -4.48 2.41 -4.58 1.67 7.99 -0.85 -4.73 117.00 114.43 1re5 n LEU 425 Ca 0.13 -1.21 -0.37 0.00 -0.01 0.00 0.00 56.01 54.54 1re5 n LEU 425 Cb 0.20 -0.40 -0.11 0.00 -0.11 0.00 0.00 43.42 43.00 1re5 n LEU 425 CO 0.33 0.42 -0.20 -0.62 -1.51 0.00 0.00 177.39 175.81 1re5 s ASP 426 N -0.66 5.82 0.25 -1.43 2.15 -0.18 -4.99 116.67 117.63 1re5 s ASP 426 Ca 0.23 -0.02 -0.03 0.00 0.43 0.00 0.00 52.55 53.16 1re5 s ASP 426 Cb 0.15 -2.06 0.45 0.00 -0.30 0.00 0.00 42.92 41.16 1re5 s ASP 426 CO 0.11 -0.00 1.79 -0.65 -0.17 0.00 0.00 175.17 176.25 1re5 h PRO 427 N 8.02 0.72 0.00 4.34 0.11 -1.86 -1.71 132.00 141.61 1re5 h PRO 427 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1re5 h PRO 427 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1re5 h PRO 427 CO 0.59 0.48 0.20 0.00 -0.21 0.00 0.00 178.00 179.05 1re5 h ALA 428 N 1.50 1.14 -0.62 -0.75 0.00 -1.94 0.86 119.26 119.45 1re5 h ALA 428 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1re5 h ALA 428 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1re5 h ALA 428 CO -0.29 -0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.54 1re5 n HIS 429 N -2.26 1.07 -2.67 0.00 8.25 -0.64 -4.39 115.22 114.57 1re5 n HIS 429 Ca -0.01 -0.56 -0.09 0.00 -0.26 0.00 0.00 57.72 56.80 1re5 n HIS 429 Cb 0.22 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.26 1re5 n HIS 429 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1re5 n TYR 430 N 1.17 1.38 1.13 4.41 9.36 0.30 -4.86 117.16 130.05 1re5 n TYR 430 Ca 0.23 -2.65 0.12 0.00 3.32 0.00 0.00 57.90 58.92 1re5 n TYR 430 Cb 0.70 -0.32 0.34 0.00 -0.63 0.00 0.00 39.34 39.43 1re5 n TYR 430 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1re5 n LEU 431 N -0.23 2.19 0.00 2.98 4.32 -1.25 -4.44 117.00 120.57 1re5 n LEU 431 Ca 0.12 -0.82 0.00 0.00 -0.02 0.00 0.00 56.01 55.29 1re5 n LEU 431 Cb 0.81 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.54 1re5 n LEU 431 CO 0.23 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 1re5 n GLY 432 N 1.25 2.76 0.43 -0.72 0.00 -1.26 -1.13 105.19 106.53 1re5 n GLY 432 Ca 0.17 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1re5 n GLY 432 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1re5 n GLN 433 N 14.00 1.55 -0.24 1.61 1.13 -1.26 -4.59 117.38 129.58 1re5 n GLN 433 Ca 0.00 -0.85 -0.06 0.00 -1.94 0.00 0.00 57.00 54.15 1re5 n GLN 433 Cb 0.00 -1.27 -0.06 0.00 0.11 0.00 0.00 30.24 29.02 1re5 n GLN 433 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1re5 n ALA 434 N 0.13 -0.37 0.24 -1.58 0.00 -0.28 0.73 120.51 119.38 1re5 n ALA 434 Ca 0.12 0.49 0.07 0.00 0.00 0.00 0.00 53.44 54.12 1re5 n ALA 434 Cb 0.23 -0.02 0.58 0.00 0.00 0.00 0.00 19.45 20.23 1re5 n ALA 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1re5 h ARG 435 N 0.00 0.00 -0.20 0.00 3.08 -1.81 -2.50 114.38 112.95 1re5 h ARG 435 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1re5 h ARG 435 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1re5 h ARG 435 CO -0.54 0.10 -0.17 0.28 -1.07 0.00 0.00 179.97 178.57 1re5 h VAL 436 N 0.00 1.33 -0.15 2.04 2.07 -0.02 -2.13 116.25 119.39 1re5 h VAL 436 Ca -0.00 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.24 1re5 h VAL 436 Cb 0.19 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1re5 h VAL 436 CO 0.01 0.40 -0.09 -0.50 0.02 0.00 0.00 177.57 177.42 1re5 h TRP 437 N 0.14 -0.21 -0.74 1.57 -0.00 -0.63 0.38 115.95 116.47 1re5 h TRP 437 Ca 0.03 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.02 1re5 h TRP 437 Cb 0.71 0.12 -0.07 0.00 -0.00 0.00 0.00 29.16 29.92 1re5 h TRP 437 CO 0.08 -0.14 0.40 0.28 -0.00 0.00 0.00 178.44 179.07 1re5 h VAL 438 N -0.08 0.92 0.33 1.49 2.07 -1.45 -1.20 116.25 118.32 1re5 h VAL 438 Ca 0.09 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1re5 h VAL 438 Cb 0.21 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1re5 h VAL 438 CO -0.20 0.13 -0.24 0.00 0.02 0.00 0.00 177.57 177.28 1re5 h ALA 439 N 1.41 -0.55 -0.65 1.67 0.00 -0.54 -0.14 119.26 120.45 1re5 h ALA 439 Ca 0.35 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1re5 h ALA 439 Cb 0.29 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1re5 h ALA 439 CO -0.23 -0.83 0.40 0.00 0.00 0.00 0.00 179.25 178.59 1re5 h ARG 440 N -0.56 0.75 0.15 0.00 3.08 -0.62 0.21 114.38 117.38 1re5 h ARG 440 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1re5 h ARG 440 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1re5 h ARG 440 CO 0.00 0.50 -0.07 0.00 -1.07 0.00 0.00 179.97 179.33 1re5 h ALA 441 N 1.29 -0.20 -0.68 0.04 0.00 -1.05 -0.31 119.26 118.34 1re5 h ALA 441 Ca 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1re5 h ALA 441 Cb 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1re5 h ALA 441 CO -0.11 -0.57 0.45 0.28 0.00 0.00 0.00 179.25 179.30 1re5 h VAL 442 N -0.28 1.18 0.26 0.00 2.07 -0.74 -1.31 116.25 117.44 1re5 h VAL 442 Ca -0.02 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1re5 h VAL 442 Cb 0.22 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1re5 h VAL 442 CO 0.03 0.17 -0.42 -1.28 0.02 0.00 0.00 177.57 176.10 1re5 h SER 443 N 0.93 -1.18 -0.54 0.57 0.87 -0.30 -1.36 113.55 112.53 1re5 h SER 443 Ca 0.25 0.12 0.12 0.00 -1.23 0.00 0.00 61.79 61.05 1re5 h SER 443 Cb -0.10 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1re5 h SER 443 CO -0.05 -0.53 0.38 -0.08 -0.53 0.00 0.00 176.83 176.02 1re5 h GLU 444 N -0.75 0.18 -0.52 2.24 4.81 -0.77 0.80 114.58 120.58 1re5 h GLU 444 Ca -0.01 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1re5 h GLU 444 Cb 0.71 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1re5 h GLU 444 CO -0.15 0.12 -0.07 1.25 -0.73 0.00 0.00 179.01 179.42 1re5 h HIS 445 N 0.19 1.03 -0.01 0.92 2.76 -0.21 -1.76 115.15 118.07 1re5 h HIS 445 Ca 0.26 -0.19 -0.18 0.00 -2.20 0.00 0.00 60.37 58.05 1re5 h HIS 445 Cb 0.77 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1re5 h HIS 445 CO -0.00 0.96 -0.82 1.96 -1.30 0.00 0.00 177.93 178.73 1re5 h GLN 446 N 0.85 0.16 0.04 5.26 4.20 0.08 -3.09 115.11 122.61 1re5 h GLN 446 Ca 0.14 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1re5 h GLN 446 Cb 0.60 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1re5 h GLN 446 CO 0.04 0.89 -0.02 0.00 -0.67 0.00 0.00 178.83 179.07 1re5 h ARG 447 N 0.09 -0.05 -0.34 1.46 2.47 -0.85 -3.18 114.38 113.99 1re5 h ARG 447 Ca -0.03 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.77 1re5 h ARG 447 Cb 1.43 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.68 1re5 h ARG 447 CO 0.12 0.16 -0.26 0.35 0.56 0.00 0.00 179.97 180.90 1re5 h PHE 448 N -0.26 -0.70 -0.17 3.04 3.57 -1.34 -2.76 116.94 118.32 1re5 h PHE 448 Ca -0.01 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1re5 h PHE 448 Cb 0.24 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1re5 h PHE 448 CO -0.01 -0.34 -0.05 2.41 -2.23 0.00 0.00 178.31 178.10 1re5 n THR 449 N -5.40 -0.08 1.99 4.41 -1.04 -1.17 -5.13 114.28 107.87 1re5 n THR 449 Ca 0.01 0.39 0.16 0.00 -2.04 0.00 0.00 64.05 62.57 1re5 n THR 449 Cb 0.31 -0.53 0.94 0.00 -1.82 0.00 0.00 70.33 69.23 1re5 n THR 449 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43