#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s64 s ASP 19 N 0.00 3.04 -0.59 -1.43 3.84 -1.26 -5.08 116.67 115.19 1s64 s ASP 19 Ca 0.00 -0.91 -0.27 0.00 -0.00 0.00 0.00 52.55 51.37 1s64 s ASP 19 Cb 0.00 -0.21 0.03 0.00 -1.38 0.00 0.00 42.92 41.37 1s64 s ASP 19 CO 0.00 0.01 1.15 0.12 -0.00 0.00 0.00 175.17 176.45 1s64 s PHE 20 N -2.11 2.62 -1.07 2.11 5.36 -1.26 -4.95 117.98 118.67 1s64 s PHE 20 Ca 0.20 0.29 -0.11 0.00 -0.96 0.00 0.00 56.93 56.35 1s64 s PHE 20 Cb -0.06 -4.44 -0.07 0.00 -0.34 0.00 0.00 43.02 38.11 1s64 s PHE 20 CO 0.09 -1.58 2.24 1.28 -1.46 0.00 0.00 175.22 175.79 1s64 n LEU 21 N 8.32 5.67 -0.22 6.12 4.32 -1.26 -4.80 117.00 135.15 1s64 n LEU 21 Ca 0.07 -3.30 -0.02 0.00 -0.02 0.00 0.00 56.01 52.73 1s64 n LEU 21 Cb 0.49 -1.25 0.04 0.00 -1.62 0.00 0.00 43.42 41.08 1s64 n LEU 21 CO 0.70 0.72 0.68 -0.09 -1.22 0.00 0.00 177.39 178.18 1s64 h ARG 22 N 6.39 -0.08 -0.95 3.23 2.43 -1.98 -1.73 114.38 121.70 1s64 h ARG 22 Ca 0.56 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.75 1s64 h ARG 22 Cb 0.35 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1s64 h ARG 22 CO 1.67 -0.05 0.63 -0.44 -1.51 0.00 0.00 179.97 180.27 1s64 h ASP 23 N -0.08 1.08 -0.42 -3.80 3.32 -2.00 -1.68 116.42 112.82 1s64 h ASP 23 Ca 0.28 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1s64 h ASP 23 Cb 0.53 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1s64 h ASP 23 CO -0.70 0.77 0.27 -0.09 -1.72 0.00 0.00 179.24 177.77 1s64 h ARG 24 N 1.27 0.54 0.00 3.56 9.65 -1.74 -1.69 114.38 125.97 1s64 h ARG 24 Ca 0.35 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.16 1s64 h ARG 24 Cb -0.11 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.34 1s64 h ARG 24 CO -0.09 0.35 -0.21 0.45 2.80 0.00 0.00 179.97 183.28 1s64 h HIS 25 N 0.55 0.00 -0.42 2.20 3.86 -0.86 0.26 115.15 120.74 1s64 h HIS 25 Ca 0.16 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1s64 h HIS 25 Cb -0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1s64 h HIS 25 CO -0.05 0.21 -0.17 0.28 0.86 0.00 0.00 177.93 179.06 1s64 h VAL 26 N 0.00 1.28 -0.55 2.45 2.07 -0.56 -1.13 116.25 119.80 1s64 h VAL 26 Ca -0.00 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 1s64 h VAL 26 Cb 0.40 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1s64 h VAL 26 CO 0.03 0.44 0.07 0.03 0.02 0.00 0.00 177.57 178.16 1s64 h ARG 27 N 0.68 0.92 -0.10 1.57 -0.00 -0.45 -1.71 114.38 115.28 1s64 h ARG 27 Ca 0.10 -0.26 0.03 0.00 -0.50 0.00 0.00 59.98 59.35 1s64 h ARG 27 Cb 0.73 -0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.56 1s64 h ARG 27 CO 0.06 0.89 -0.07 0.35 0.00 0.00 0.00 179.97 181.20 1s64 h PHE 28 N 0.80 -0.17 -0.16 3.04 3.57 -0.75 -0.48 116.94 122.79 1s64 h PHE 28 Ca 0.16 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1s64 h PHE 28 Cb 0.43 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1s64 h PHE 28 CO 0.03 -0.11 -0.10 0.74 -2.23 0.00 0.00 178.31 176.64 1s64 h PHE 29 N -0.08 0.25 -0.20 0.41 0.05 -1.08 -2.05 116.94 114.23 1s64 h PHE 29 Ca 0.06 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 1s64 h PHE 29 Cb 0.17 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 1s64 h PHE 29 CO -0.19 0.34 0.07 1.96 -0.18 0.00 0.00 178.31 180.31 1s64 h GLN 30 N 0.23 0.31 -0.93 1.51 4.20 -0.57 -2.59 115.11 117.27 1s64 h GLN 30 Ca 0.05 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.78 1s64 h GLN 30 Cb 0.32 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 1s64 h GLN 30 CO 0.02 0.41 0.60 0.00 -0.67 0.00 0.00 178.83 179.19 1s64 h ARG 31 N 0.16 0.96 -0.20 1.46 3.08 -0.59 -1.72 114.38 117.54 1s64 h ARG 31 Ca 0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1s64 h ARG 31 Cb 0.22 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1s64 h ARG 31 CO -0.00 0.64 0.06 0.00 -1.07 0.00 0.00 179.97 179.59 1s64 n LEU 33 N -4.43 0.53 0.00 0.00 7.99 -0.66 -4.79 117.00 115.64 1s64 n LEU 33 Ca -0.00 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 1s64 n LEU 33 Cb 0.14 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 1s64 n LEU 33 CO 0.36 -0.10 0.00 0.00 -1.51 0.00 0.00 177.39 176.14 1s64 n GLN 34 N -1.97 0.00 -4.86 3.23 6.02 -0.81 -5.07 117.38 113.92 1s64 n GLN 34 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.74 1s64 n GLN 34 Cb 0.40 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.52 1s64 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s64 s VAL 35 N 0.98 2.61 0.04 5.09 1.01 -1.26 -5.12 120.40 123.74 1s64 s VAL 35 Ca 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1s64 s VAL 35 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1s64 s VAL 35 CO 0.00 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.54 1s64 s LEU 36 N -1.12 2.16 0.80 3.92 1.43 -1.26 -4.97 118.68 119.64 1s64 s LEU 36 Ca 0.13 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1s64 s LEU 36 Cb -0.10 -1.14 0.08 0.00 0.03 0.00 0.00 46.19 45.06 1s64 s LEU 36 CO 0.03 0.22 1.14 -2.84 0.23 0.00 0.00 176.35 175.12 1s64 s PRO 37 N -1.14 1.85 0.36 1.29 0.02 -1.26 -4.88 135.00 131.24 1s64 s PRO 37 Ca 0.10 1.44 0.21 0.00 0.02 0.00 0.00 61.00 62.77 1s64 s PRO 37 Cb -0.09 -1.83 1.14 0.00 0.02 0.00 0.00 34.50 33.74 1s64 s PRO 37 CO 0.02 -1.99 1.61 1.49 -0.33 0.00 0.00 177.00 177.80 1s64 h GLU 38 N -1.11 0.00 -0.06 5.54 4.81 -2.03 -1.62 114.58 120.11 1s64 h GLU 38 Ca -0.44 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1s64 h GLU 38 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1s64 h GLU 38 CO 0.48 0.00 0.09 0.00 -0.73 0.00 0.00 179.01 178.85 1s64 h ARG 39 N 0.00 0.00 -0.63 1.92 3.08 -2.06 -1.91 114.38 114.78 1s64 h ARG 39 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1s64 h ARG 39 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1s64 h ARG 39 CO 0.00 0.00 0.01 0.66 -1.07 0.00 0.00 179.97 179.57 1s64 n TYR 40 N -3.67 1.87 -0.10 3.04 4.02 -0.61 -4.60 117.16 117.11 1s64 n TYR 40 Ca -0.01 -0.65 0.21 0.00 -0.01 0.00 0.00 57.90 57.44 1s64 n TYR 40 Cb 0.18 -0.47 0.65 0.00 -0.02 0.00 0.00 39.34 39.67 1s64 n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s64 h SER 41 N 3.52 0.11 0.38 7.72 4.64 -1.55 -0.82 113.55 127.55 1s64 h SER 41 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1s64 h SER 41 Cb 1.83 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1s64 h SER 41 CO 0.45 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92 1s64 n SER 42 N -4.38 0.29 -0.16 4.97 3.41 -1.26 -1.58 113.62 114.91 1s64 n SER 42 Ca 0.14 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1s64 n SER 42 Cb 0.69 -0.64 0.43 0.00 -0.26 0.00 0.00 64.21 64.43 1s64 n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s64 n LEU 43 N -1.84 0.73 -0.16 1.04 4.77 -0.31 -4.46 117.00 116.77 1s64 n LEU 43 Ca 0.02 -0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 1s64 n LEU 43 Cb 0.13 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1s64 n LEU 43 CO 0.12 0.14 0.57 -0.08 -1.33 0.00 0.00 177.39 176.82 1s64 h GLU 44 N 0.77 -0.27 0.00 3.23 4.57 -1.44 0.10 114.58 121.54 1s64 h GLU 44 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1s64 h GLU 44 Cb 0.46 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1s64 h GLU 44 CO 0.00 -0.18 0.00 0.25 -1.18 0.00 0.00 179.01 177.90 1s64 n THR 45 N -5.41 0.00 -2.63 0.32 -2.24 -1.26 -2.91 114.28 100.14 1s64 n THR 45 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1s64 n THR 45 Cb 0.35 -0.61 0.04 0.00 -2.10 0.00 0.00 70.33 68.01 1s64 n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s64 n SER 46 N -0.92 1.63 0.13 3.42 3.41 -0.06 -4.01 113.62 117.22 1s64 n SER 46 Ca 0.12 -2.20 0.04 0.00 -0.26 0.00 0.00 58.87 56.57 1s64 n SER 46 Cb 0.06 -0.42 0.44 0.00 -0.26 0.00 0.00 64.21 64.03 1s64 n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s64 h ARG 47 N 2.01 0.22 -0.40 4.33 3.08 -1.17 -2.36 114.38 120.09 1s64 h ARG 47 Ca -0.13 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1s64 h ARG 47 Cb 1.48 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 1s64 h ARG 47 CO 0.19 0.30 0.14 1.25 -1.07 0.00 0.00 179.97 180.77 1s64 h LEU 48 N 0.21 0.52 -0.40 3.04 5.85 -1.56 -0.24 115.31 122.73 1s64 h LEU 48 Ca 0.05 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1s64 h LEU 48 Cb 0.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1s64 h LEU 48 CO 0.01 0.49 -0.40 0.71 -0.34 0.00 0.00 178.44 178.92 1s64 h THR 49 N 0.57 0.76 -0.18 1.05 1.35 -1.72 -1.26 112.91 113.47 1s64 h THR 49 Ca 0.14 -1.81 -0.19 0.00 -0.55 0.00 0.00 66.41 64.00 1s64 h THR 49 Cb 0.15 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1s64 h THR 49 CO -0.01 0.39 -0.67 0.40 -0.25 0.00 0.00 175.52 175.38 1s64 h ILE 50 N 0.00 1.30 -0.63 6.82 1.08 -1.19 -1.93 117.51 122.96 1s64 h ILE 50 Ca -0.00 -1.91 -0.03 0.00 -0.39 0.00 0.00 64.86 62.53 1s64 h ILE 50 Cb 1.15 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.74 1s64 h ILE 50 CO 0.05 0.60 0.30 0.00 -0.69 0.00 0.00 178.15 178.41 1s64 h ALA 51 N 0.74 0.82 -0.29 1.87 0.00 -0.86 -2.01 119.26 119.54 1s64 h ALA 51 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1s64 h ALA 51 Cb 1.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1s64 h ALA 51 CO 0.13 0.39 0.14 0.35 0.00 0.00 0.00 179.25 180.26 1s64 h PHE 52 N 0.87 0.25 -0.66 0.00 3.57 -1.05 0.27 116.94 120.19 1s64 h PHE 52 Ca 0.22 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1s64 h PHE 52 Cb 0.13 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1s64 h PHE 52 CO 0.00 0.14 0.39 0.74 -2.23 0.00 0.00 178.31 177.35 1s64 h PHE 53 N 0.29 0.87 -0.00 0.41 0.05 -1.07 0.12 116.94 117.61 1s64 h PHE 53 Ca 0.12 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.88 1s64 h PHE 53 Cb 0.05 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.71 1s64 h PHE 53 CO -0.10 0.58 -0.11 0.00 -0.18 0.00 0.00 178.31 178.51 1s64 h ALA 54 N 1.52 0.02 0.05 2.45 0.00 -0.80 -1.67 119.26 120.83 1s64 h ALA 54 Ca 0.24 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s64 h ALA 54 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s64 h ALA 54 CO -0.04 -0.03 -0.02 -0.07 0.00 0.00 0.00 179.25 179.08 1s64 h LEU 55 N -0.64 -0.06 -1.55 0.00 3.38 -0.37 0.27 115.31 116.34 1s64 h LEU 55 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1s64 h LEU 55 Cb 0.86 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1s64 h LEU 55 CO 0.02 0.17 -0.23 -1.28 0.09 0.00 0.00 178.44 177.21 1s64 h SER 56 N -0.28 0.00 -0.16 -0.43 0.87 -0.90 0.16 113.55 112.81 1s64 h SER 56 Ca -0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1s64 h SER 56 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1s64 h SER 56 CO 0.01 0.23 -0.19 1.23 -0.53 0.00 0.00 176.83 177.58 1s64 h GLY 57 N 0.70 0.45 1.00 5.77 0.00 -0.89 0.22 103.07 110.31 1s64 h GLY 57 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1s64 h GLY 57 CO 0.03 0.43 0.33 1.41 0.00 0.00 0.00 176.54 178.74 1s64 h LEU 58 N 0.04 0.80 -0.42 3.11 3.38 0.02 -1.58 115.31 120.65 1s64 h LEU 58 Ca 0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1s64 h LEU 58 Cb 0.74 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1s64 h LEU 58 CO 0.05 0.68 0.23 -0.78 0.09 0.00 0.00 178.44 178.70 1s64 h ASP 59 N 0.86 0.35 -0.05 -0.43 -0.00 -0.60 0.23 116.42 116.78 1s64 h ASP 59 Ca 0.22 0.01 0.02 0.00 -0.00 0.00 0.00 57.03 57.28 1s64 h ASP 59 Cb 0.07 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.33 39.34 1s64 h ASP 59 CO -0.03 0.25 0.04 -0.03 -0.00 0.00 0.00 179.24 179.48 1s64 h MET 60 N 0.46 0.00 -0.46 0.28 4.05 -0.39 0.11 114.93 118.99 1s64 h MET 60 Ca 0.18 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1s64 h MET 60 Cb 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1s64 h MET 60 CO -0.10 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.32 1s64 n LEU 61 N -4.28 3.59 -3.57 3.39 4.77 -0.32 -1.05 117.00 119.53 1s64 n LEU 61 Ca -0.02 -1.60 -0.25 0.00 -0.03 0.00 0.00 56.01 54.12 1s64 n LEU 61 Cb 0.14 -0.30 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1s64 n LEU 61 CO 0.32 0.80 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.49 1s64 n ASP 62 N 1.55 -5.77 -1.15 -1.43 2.03 0.64 -4.93 116.55 107.49 1s64 n ASP 62 Ca 0.21 -0.85 0.02 0.00 0.52 0.00 0.00 54.79 54.69 1s64 n ASP 62 Cb 0.62 -3.62 0.01 0.00 -0.72 0.00 0.00 41.12 37.41 1s64 n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1s64 n SER 63 N -2.59 0.60 0.32 1.67 7.64 -0.11 -4.87 113.62 116.28 1s64 n SER 63 Ca -0.10 -1.98 0.21 0.00 1.01 0.00 0.00 58.87 58.00 1s64 n SER 63 Cb 0.59 -0.24 1.10 0.00 -1.01 0.00 0.00 64.21 64.64 1s64 n SER 63 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1s64 h LEU 64 N 0.63 0.00 -2.62 -3.43 3.38 -1.91 -2.40 115.31 108.97 1s64 h LEU 64 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1s64 h LEU 64 Cb 1.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1s64 h LEU 64 CO 0.05 0.01 -0.01 -2.24 0.09 0.00 0.00 178.44 176.34 1s64 h ASP 65 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -2.22 116.42 113.85 1s64 h ASP 65 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s64 h ASP 65 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1s64 h ASP 65 CO 0.00 0.01 0.00 1.33 -1.03 0.00 0.00 179.24 179.55 1s64 n VAL 66 N -3.32 0.00 -4.22 4.15 0.24 -0.90 -4.78 118.33 109.49 1s64 n VAL 66 Ca -0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.11 1s64 n VAL 66 Cb 0.11 -0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 31.97 1s64 n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1s64 s VAL 67 N -2.00 1.21 -1.02 3.34 -7.23 -0.84 -5.08 120.40 108.79 1s64 s VAL 67 Ca 0.24 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 1s64 s VAL 67 Cb 0.11 -1.49 0.10 0.00 0.56 0.00 0.00 36.38 35.66 1s64 s VAL 67 CO 0.19 -0.47 1.34 0.21 -0.31 0.00 0.00 175.10 176.05 1s64 s ASN 68 N -2.48 6.63 0.29 4.85 3.84 -1.26 -4.87 114.94 121.94 1s64 s ASN 68 Ca 0.08 -1.91 0.04 0.00 0.21 0.00 0.00 52.86 51.28 1s64 s ASN 68 Cb -0.04 -2.49 0.72 0.00 -0.55 0.00 0.00 41.25 38.89 1s64 s ASN 68 CO 0.02 -1.23 1.70 0.11 -2.79 0.00 0.00 177.10 174.91 1s64 h LYS 69 N 8.99 0.40 -0.49 0.43 1.57 -1.94 -1.75 116.57 123.78 1s64 h LYS 69 Ca 0.21 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1s64 h LYS 69 Cb 0.99 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1s64 h LYS 69 CO 1.28 0.26 0.24 -0.44 -0.57 0.00 0.00 179.45 180.22 1s64 h ASP 70 N 0.41 0.64 -0.31 0.86 3.32 -1.92 -0.85 116.42 118.56 1s64 h ASP 70 Ca 0.56 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 1s64 h ASP 70 Cb 1.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1s64 h ASP 70 CO -0.52 0.59 0.11 0.44 -1.72 0.00 0.00 179.24 178.14 1s64 h ASP 71 N 0.65 0.44 -0.83 6.45 3.32 -1.75 -2.70 116.42 121.99 1s64 h ASP 71 Ca 0.17 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1s64 h ASP 71 Cb 0.12 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1s64 h ASP 71 CO -0.02 0.50 0.40 0.40 -1.72 0.00 0.00 179.24 178.80 1s64 h ILE 72 N 0.35 1.26 -0.79 0.35 2.04 -1.31 -1.82 117.51 117.59 1s64 h ILE 72 Ca 0.10 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1s64 h ILE 72 Cb 0.21 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1s64 h ILE 72 CO -0.01 0.31 0.51 0.40 0.00 0.00 0.00 178.15 179.36 1s64 h ILE 73 N 1.19 1.21 -0.43 -0.67 2.04 -1.03 -0.22 117.51 119.59 1s64 h ILE 73 Ca 0.29 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 1s64 h ILE 73 Cb 0.12 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1s64 h ILE 73 CO -0.04 0.21 -0.24 -0.33 0.00 0.00 0.00 178.15 177.75 1s64 h GLU 74 N 1.07 0.93 -0.33 2.37 4.39 -1.10 -1.74 114.58 120.18 1s64 h GLU 74 Ca 0.29 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1s64 h GLU 74 Cb -0.10 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1s64 h GLU 74 CO -0.06 1.08 0.20 2.35 -1.16 0.00 0.00 179.01 181.42 1s64 h TRP 75 N 0.76 0.43 -0.29 4.33 7.01 -0.68 -1.40 115.95 126.11 1s64 h TRP 75 Ca 0.09 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1s64 h TRP 75 Cb 0.82 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 1s64 h TRP 75 CO 0.06 0.30 0.16 0.82 -2.79 0.00 0.00 178.44 176.99 1s64 h ILE 76 N 0.43 1.01 0.00 2.65 2.04 -0.96 -1.66 117.51 121.02 1s64 h ILE 76 Ca 0.12 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1s64 h ILE 76 Cb -0.00 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1s64 h ILE 76 CO -0.02 0.06 -0.03 1.88 0.00 0.00 0.00 178.15 180.04 1s64 h TYR 77 N 0.33 0.00 0.00 1.37 0.05 -0.98 0.57 116.97 118.31 1s64 h TYR 77 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1s64 h TYR 77 Cb 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1s64 h TYR 77 CO -0.09 0.03 0.00 -1.13 -1.05 0.00 0.00 178.16 175.92 1s64 n SER 78 N -3.24 0.11 -0.33 3.88 3.41 -0.56 -2.70 113.62 114.20 1s64 n SER 78 Ca -0.02 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1s64 n SER 78 Cb 0.17 -0.55 0.18 0.00 -0.26 0.00 0.00 64.21 63.76 1s64 n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s64 n LEU 79 N -1.61 1.43 -4.71 1.04 4.77 0.19 -4.63 117.00 113.47 1s64 n LEU 79 Ca 0.05 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1s64 n LEU 79 Cb 0.28 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1s64 n LEU 79 CO 0.22 0.27 0.76 -1.58 -1.33 0.00 0.00 177.39 175.74 1s64 s GLN 80 N -2.54 4.51 -0.56 3.23 0.74 -1.10 0.04 119.66 123.98 1s64 s GLN 80 Ca 0.20 1.57 -0.22 0.00 0.05 0.00 0.00 55.36 56.96 1s64 s GLN 80 Cb 0.18 -3.41 0.05 0.00 1.10 0.00 0.00 33.01 30.94 1s64 s GLN 80 CO 0.57 -0.12 0.86 0.08 -0.55 0.00 0.00 175.29 176.13 1s64 s VAL 81 N 0.97 4.51 0.31 1.34 1.01 0.81 -4.90 120.40 124.45 1s64 s VAL 81 Ca 0.54 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1s64 s VAL 81 Cb -0.25 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 1s64 s VAL 81 CO 0.29 -1.11 0.59 -0.76 0.00 0.00 0.00 175.10 174.11 1s64 s LEU 82 N 3.61 4.02 0.38 3.92 1.43 -1.26 -3.16 118.68 127.62 1s64 s LEU 82 Ca 0.24 0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 53.86 1s64 s LEU 82 Cb -0.15 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1s64 s LEU 82 CO 0.15 -0.23 1.22 -2.16 0.23 0.00 0.00 176.35 175.56 1s64 s PRO 83 N -3.59 4.15 0.97 1.29 0.04 -1.26 -4.44 135.00 132.15 1s64 s PRO 83 Ca 0.45 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 1s64 s PRO 83 Cb -0.11 -2.82 0.17 0.00 0.04 0.00 0.00 34.50 31.79 1s64 s PRO 83 CO 0.30 -0.28 1.11 0.95 0.04 0.00 0.00 177.00 179.12 1s64 s THR 84 N -1.30 2.02 0.20 1.26 -4.23 -1.26 -3.27 115.64 109.06 1s64 s THR 84 Ca 0.54 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 1s64 s THR 84 Cb -0.34 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 71.10 1s64 s THR 84 CO 0.44 -0.01 1.62 1.05 -0.54 0.00 0.00 174.62 177.18 1s64 h GLU 85 N -1.76 -0.03 -0.01 3.99 9.09 -1.95 0.31 114.58 124.23 1s64 h GLU 85 Ca -0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.88 1s64 h GLU 85 Cb 1.33 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1s64 h GLU 85 CO 0.59 -0.02 0.00 -0.40 0.05 0.00 0.00 179.01 179.24 1s64 n ASP 86 N -5.42 0.04 -4.39 3.06 3.85 -1.26 -4.90 116.55 107.53 1s64 n ASP 86 Ca 0.07 -1.83 -0.39 0.00 -0.71 0.00 0.00 54.79 51.92 1s64 n ASP 86 Cb 0.32 -0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 1s64 n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1s64 n ARG 87 N -0.56 -1.84 -0.29 0.11 1.74 0.11 -4.83 116.66 111.10 1s64 n ARG 87 Ca 0.04 0.24 0.09 0.00 -0.77 0.00 0.00 57.85 57.46 1s64 n ARG 87 Cb 0.03 -4.83 0.25 0.00 -1.02 0.00 0.00 32.46 26.89 1s64 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s64 n SER 88 N -2.57 3.08 -0.87 0.55 3.41 -1.26 -4.16 113.62 111.80 1s64 n SER 88 Ca 0.07 -2.00 0.05 0.00 -0.26 0.00 0.00 58.87 56.74 1s64 n SER 88 Cb 0.48 -0.38 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 1s64 n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s64 n ASN 89 N 1.19 1.38 -0.32 4.04 6.94 -1.26 -4.84 115.26 122.38 1s64 n ASN 89 Ca 0.19 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.78 1s64 n ASN 89 Cb 0.49 -0.41 0.14 0.00 -2.36 0.00 0.00 39.78 37.63 1s64 n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1s64 h LEU 90 N 0.83 0.90 0.00 -4.53 3.38 -1.95 -1.37 115.31 112.56 1s64 h LEU 90 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s64 h LEU 90 Cb 1.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1s64 h LEU 90 CO 0.04 0.59 0.00 0.47 0.09 0.00 0.00 178.44 179.63 1s64 n ASP 91 N -4.58 0.00 -0.02 -0.43 8.00 -1.26 -2.07 116.55 116.19 1s64 n ASP 91 Ca 0.12 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.64 1s64 n ASP 91 Cb 0.15 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1s64 n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s64 n ARG 92 N -1.12 2.37 -2.27 -1.24 1.74 -0.52 -4.62 116.66 111.00 1s64 n ARG 92 Ca 0.03 -1.58 -0.30 0.00 -0.77 0.00 0.00 57.85 55.23 1s64 n ARG 92 Cb 0.03 -1.03 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1s64 n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s64 n GLY 94 N -2.23 0.07 3.23 0.00 0.00 -1.19 -4.41 105.19 100.66 1s64 n GLY 94 Ca 0.04 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1s64 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s64 s PHE 95 N -3.92 1.56 0.41 1.61 0.40 -1.26 -0.13 117.98 116.64 1s64 s PHE 95 Ca 0.00 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1s64 s PHE 95 Cb 0.00 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 1s64 s PHE 95 CO 0.00 0.12 0.66 1.03 0.70 0.00 0.00 175.22 177.73 1s64 s ARG 96 N -1.58 3.52 0.32 0.44 0.52 0.11 -1.17 118.95 121.10 1s64 s ARG 96 Ca 0.04 -0.07 0.17 0.00 -0.52 0.00 0.00 55.73 55.34 1s64 s ARG 96 Cb -0.09 -2.53 0.18 0.00 0.52 0.00 0.00 34.95 33.03 1s64 s ARG 96 CO 0.03 -0.01 1.50 0.78 0.02 0.00 0.00 175.30 177.62 1s64 h GLY 97 N 0.54 0.00 -0.45 -3.53 0.00 -1.88 -3.46 103.07 94.29 1s64 h GLY 97 Ca -0.48 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.91 1s64 h GLY 97 CO 0.62 0.00 0.20 -1.14 0.00 0.00 0.00 176.54 176.22 1s64 n SER 98 N -3.22 -0.45 -1.89 0.19 3.41 -1.26 -1.45 113.62 108.95 1s64 n SER 98 Ca 0.02 -1.20 -0.07 0.00 -0.26 0.00 0.00 58.87 57.37 1s64 n SER 98 Cb 0.68 0.72 0.26 0.00 -0.26 0.00 0.00 64.21 65.60 1s64 n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s64 n SER 99 N -0.66 4.43 0.17 4.04 3.41 -1.26 -4.65 113.62 119.11 1s64 n SER 99 Ca 0.00 -3.10 0.09 0.00 -0.26 0.00 0.00 58.87 55.61 1s64 n SER 99 Cb 0.17 -0.73 0.49 0.00 -0.26 0.00 0.00 64.21 63.88 1s64 n SER 99 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1s64 h TYR 100 N 2.23 0.00 0.00 7.33 -0.00 -1.96 -1.47 116.97 123.10 1s64 h TYR 100 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.00 1s64 h TYR 100 Cb 2.20 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.93 1s64 h TYR 100 CO 1.17 0.00 -0.15 1.28 -0.00 0.00 0.00 178.16 180.46 1s64 n LEU 101 N -2.19 0.76 0.00 0.10 4.77 -1.26 -4.93 117.00 114.24 1s64 n LEU 101 Ca -0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1s64 n LEU 101 Cb 0.19 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1s64 n LEU 101 CO 0.08 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1s64 n GLY 102 N 1.32 0.63 3.74 -0.72 0.00 -0.55 -5.03 105.19 104.58 1s64 n GLY 102 Ca 0.05 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1s64 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s64 s ILE 103 N -2.00 3.58 0.12 -0.61 1.01 -1.26 -4.94 121.20 117.10 1s64 s ILE 103 Ca 0.00 1.31 -0.34 0.00 0.00 0.00 0.00 60.65 61.62 1s64 s ILE 103 Cb 0.00 -3.84 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 1s64 s ILE 103 CO 0.00 0.20 1.58 -0.81 0.00 0.00 0.00 174.94 175.91 1s64 n PRO 104 N 2.63 2.03 -1.65 2.79 -0.04 -1.26 -4.85 135.00 134.65 1s64 n PRO 104 Ca 0.05 0.73 -0.59 0.00 -0.04 0.00 0.00 63.50 63.65 1s64 n PRO 104 Cb 0.45 -2.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.33 1s64 n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1s64 n PHE 105 N 3.65 1.55 -3.26 0.54 7.35 -1.26 -4.95 117.46 121.08 1s64 n PHE 105 Ca 0.18 0.82 -0.05 0.00 -0.76 0.00 0.00 57.45 57.63 1s64 n PHE 105 Cb 0.28 -2.30 -0.04 0.00 0.35 0.00 0.00 39.48 37.77 1s64 n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s64 s ASN 106 N 1.91 -0.28 -0.51 -2.13 2.47 -1.26 -5.06 114.94 110.09 1s64 s ASN 106 Ca 0.95 -0.43 -0.04 0.00 0.42 0.00 0.00 52.86 53.77 1s64 s ASN 106 Cb -1.19 1.39 -0.05 0.00 -1.45 0.00 0.00 41.25 39.95 1s64 s ASN 106 CO 0.63 -0.31 1.76 -0.81 -3.72 0.00 0.00 177.10 174.66 1s64 n PRO 107 N 5.13 1.32 -3.87 0.43 -0.04 -1.26 -4.09 135.00 132.62 1s64 n PRO 107 Ca 0.04 -1.01 -0.26 0.00 -0.04 0.00 0.00 63.50 62.23 1s64 n PRO 107 Cb 0.51 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.80 1s64 n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s64 n SER 108 N 4.10 -2.42 0.00 3.54 7.64 -1.13 -4.74 113.62 120.61 1s64 n SER 108 Ca 0.28 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1s64 n SER 108 Cb 0.15 -3.68 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1s64 n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s64 n LYS 109 N -4.45 0.00 -1.19 1.43 5.02 -1.26 -5.03 118.16 112.68 1s64 n LYS 109 Ca -0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 1s64 n LYS 109 Cb 0.61 -0.02 0.24 0.00 -0.02 0.00 0.00 35.03 35.84 1s64 n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s64 s ASN 110 N -1.12 1.12 0.61 4.39 6.03 -1.26 -5.04 114.94 119.67 1s64 s ASN 110 Ca 0.00 0.55 0.00 0.00 -1.03 0.00 0.00 52.86 52.38 1s64 s ASN 110 Cb 0.00 -0.74 0.00 0.00 -3.03 0.00 0.00 41.25 37.48 1s64 s ASN 110 CO 0.00 -3.99 0.00 0.09 -2.03 0.00 0.00 177.10 171.17 1s64 n PRO 111 N -4.66 -0.58 -3.54 3.55 -0.07 -1.26 -4.98 135.00 123.47 1s64 n PRO 111 Ca 0.14 0.00 -0.36 0.00 -0.07 0.00 0.00 63.50 63.21 1s64 n PRO 111 Cb 0.60 0.00 -0.07 0.00 -0.07 0.00 0.00 33.50 33.95 1s64 n PRO 111 CO 0.00 0.00 0.00 0.20 -0.07 0.00 0.00 175.50 175.63 1s64 s GLY 112 N -1.74 2.19 -0.64 1.68 0.00 -1.20 -4.98 107.32 102.63 1s64 s GLY 112 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 1s64 s GLY 112 CO 0.00 0.44 1.27 -1.08 0.00 0.00 0.00 173.10 173.73 1s64 s THR 113 N 0.52 3.86 0.19 0.90 -1.32 -1.26 -4.51 115.64 114.02 1s64 s THR 113 Ca 0.16 0.68 -0.32 0.00 -1.21 0.00 0.00 61.69 61.00 1s64 s THR 113 Cb -0.13 -4.74 -0.15 0.00 -1.51 0.00 0.00 72.50 65.97 1s64 s THR 113 CO 0.04 -1.50 1.19 0.00 -2.21 0.00 0.00 174.62 172.14 1s64 n ALA 114 N 9.03 -0.51 -3.69 11.08 0.00 -1.26 -5.00 120.51 130.16 1s64 n ALA 114 Ca 0.07 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1s64 n ALA 114 Cb 0.49 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 1s64 n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s64 s HIS 115 N -0.20 -0.62 0.49 0.00 5.04 -1.26 -5.06 115.29 113.67 1s64 s HIS 115 Ca 0.72 1.32 0.30 0.00 -1.54 0.00 0.00 55.06 55.86 1s64 s HIS 115 Cb -0.82 0.27 1.39 0.00 0.04 0.00 0.00 32.58 33.47 1s64 s HIS 115 CO 0.52 -0.36 1.79 -1.35 -2.34 0.00 0.00 174.74 173.00 1s64 h PRO 116 N 7.22 0.13 0.00 2.88 0.11 -2.05 -2.92 132.00 137.38 1s64 h PRO 116 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1s64 h PRO 116 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1s64 h PRO 116 CO 0.28 0.09 -0.12 0.66 -0.21 0.00 0.00 178.00 178.70 1s64 n TYR 117 N -4.35 0.00 -3.37 0.65 4.01 -1.26 -5.02 117.16 107.82 1s64 n TYR 117 Ca 0.26 -0.65 -0.39 0.00 -0.16 0.00 0.00 57.90 56.96 1s64 n TYR 117 Cb 1.11 -0.11 -0.08 0.00 -0.31 0.00 0.00 39.34 39.96 1s64 n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1s64 s ASP 118 N -2.05 6.36 0.27 7.72 2.15 -1.10 -5.03 116.67 124.99 1s64 s ASP 118 Ca 0.19 0.43 -0.19 0.00 0.43 0.00 0.00 52.55 53.40 1s64 s ASP 118 Cb 0.16 -2.23 0.02 0.00 -0.30 0.00 0.00 42.92 40.57 1s64 s ASP 118 CO 0.02 -0.15 0.67 -0.94 -0.17 0.00 0.00 175.17 174.60 1s64 s SER 119 N 1.35 -0.23 0.81 -0.34 1.04 -1.26 -4.89 113.70 110.19 1s64 s SER 119 Ca 0.18 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1s64 s SER 119 Cb -0.15 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.77 1s64 s SER 119 CO 0.09 -1.31 1.16 -0.83 0.98 0.00 0.00 173.24 173.33 1s64 s GLY 120 N -2.94 1.66 -0.09 7.32 0.00 -0.46 -4.63 107.32 108.18 1s64 s GLY 120 Ca 0.13 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 1s64 s GLY 120 CO 0.07 -0.34 -0.06 -1.58 0.00 0.00 0.00 173.10 171.19 1s64 s HIS 121 N -3.55 1.24 0.32 1.90 5.04 -0.32 -4.58 115.29 115.34 1s64 s HIS 121 Ca 0.64 -0.55 0.09 0.00 -1.54 0.00 0.00 55.06 53.70 1s64 s HIS 121 Cb -0.09 -1.07 0.89 0.00 0.04 0.00 0.00 32.58 32.35 1s64 s HIS 121 CO 0.49 -0.42 1.69 0.97 -2.34 0.00 0.00 174.74 175.13 1s64 h ILE 122 N 6.18 0.41 0.00 0.89 2.10 -1.02 0.46 117.51 126.53 1s64 h ILE 122 Ca -0.29 -0.14 -0.06 0.00 1.08 0.00 0.00 64.86 65.46 1s64 h ILE 122 Cb 1.14 -0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 1s64 h ILE 122 CO 0.39 0.07 -0.28 0.00 -1.08 0.00 0.00 178.15 177.25 1s64 h ALA 123 N 1.77 1.04 0.20 0.18 0.00 -1.94 -1.82 119.26 118.69 1s64 h ALA 123 Ca 0.64 -0.25 -0.32 0.00 0.00 0.00 0.00 54.91 54.98 1s64 h ALA 123 Cb 1.33 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1s64 h ALA 123 CO -0.56 0.35 -1.46 0.52 0.00 0.00 0.00 179.25 178.10 1s64 h MET 124 N 0.00 0.43 -0.83 0.00 2.86 -0.47 -1.61 114.93 115.31 1s64 h MET 124 Ca -0.00 -0.73 -0.02 0.00 -2.06 0.00 0.00 59.70 56.89 1s64 h MET 124 Cb 0.77 0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1s64 h MET 124 CO 0.04 1.34 0.45 1.15 1.06 0.00 0.00 176.91 180.95 1s64 h THR 125 N 0.12 1.24 0.51 2.22 2.02 -0.76 0.59 112.91 118.85 1s64 h THR 125 Ca -0.24 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1s64 h THR 125 Cb 2.10 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1s64 h THR 125 CO 0.24 0.27 -0.25 0.22 0.37 0.00 0.00 175.52 176.37 1s64 h TYR 126 N 1.15 -0.64 0.00 3.16 3.20 -1.35 -1.84 116.97 120.66 1s64 h TYR 126 Ca 0.29 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1s64 h TYR 126 Cb 0.03 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1s64 h TYR 126 CO 0.01 -0.31 -0.25 1.79 -1.64 0.00 0.00 178.16 177.75 1s64 h THR 127 N -0.98 1.11 0.60 1.81 1.35 -1.20 -1.04 112.91 114.56 1s64 h THR 127 Ca -0.07 -0.87 -0.03 0.00 -0.55 0.00 0.00 66.41 64.89 1s64 h THR 127 Cb 0.61 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1s64 h THR 127 CO 0.12 0.24 -0.29 1.23 -0.25 0.00 0.00 175.52 176.57 1s64 h GLY 128 N 0.82 -0.84 0.76 5.82 0.00 0.24 0.16 103.07 110.04 1s64 h GLY 128 Ca -0.00 0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1s64 h GLY 128 CO 0.03 -0.30 0.43 1.41 0.00 0.00 0.00 176.54 178.11 1s64 h LEU 129 N -1.00 0.67 -0.79 3.11 3.38 -1.26 -1.32 115.31 118.09 1s64 h LEU 129 Ca -0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1s64 h LEU 129 Cb 0.67 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1s64 h LEU 129 CO 0.13 0.44 0.48 -1.28 0.09 0.00 0.00 178.44 178.31 1s64 h SER 130 N 0.81 0.77 -0.44 -0.43 0.87 -1.08 -2.06 113.55 111.99 1s64 h SER 130 Ca 0.31 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.81 1s64 h SER 130 Cb 0.12 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1s64 h SER 130 CO -0.15 0.50 -0.00 0.00 -0.53 0.00 0.00 176.83 176.65 1s64 h LEU 132 N 0.61 0.51 -0.45 0.00 3.38 -0.82 -0.55 115.31 117.99 1s64 h LEU 132 Ca 0.12 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1s64 h LEU 132 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1s64 h LEU 132 CO 0.02 0.34 0.18 0.40 0.09 0.00 0.00 178.44 179.47 1s64 h ILE 133 N 0.65 1.21 -0.88 1.22 2.04 -1.29 -1.51 117.51 118.94 1s64 h ILE 133 Ca 0.28 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1s64 h ILE 133 Cb 0.16 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1s64 h ILE 133 CO -0.17 0.24 0.58 0.40 0.00 0.00 0.00 178.15 179.20 1s64 h ILE 134 N 0.59 1.23 0.00 -0.67 2.04 -0.87 -2.03 117.51 117.80 1s64 h ILE 134 Ca 0.15 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1s64 h ILE 134 Cb 0.20 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1s64 h ILE 134 CO -0.01 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.54 1s64 n LEU 135 N -4.40 0.00 0.00 1.44 4.77 -0.27 -4.91 117.00 113.63 1s64 n LEU 135 Ca 0.10 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1s64 n LEU 135 Cb 0.02 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1s64 n LEU 135 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1s64 n GLY 136 N 1.07 0.13 3.70 -0.72 0.00 -0.76 -4.95 105.19 103.66 1s64 n GLY 136 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1s64 n GLY 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s64 s ASP 137 N -2.16 3.54 0.00 1.61 -1.08 -0.61 -4.94 116.67 113.04 1s64 s ASP 137 Ca 0.00 2.35 0.19 0.00 -0.52 0.00 0.00 52.55 54.57 1s64 s ASP 137 Cb 0.00 -2.59 0.44 0.00 -1.46 0.00 0.00 42.92 39.31 1s64 s ASP 137 CO 0.00 -2.70 1.36 -0.90 0.52 0.00 0.00 175.17 173.46 1s64 n ASP 138 N -3.37 3.37 -1.08 -0.34 5.68 -1.26 -4.46 116.55 115.08 1s64 n ASP 138 Ca 0.13 -1.95 -0.14 0.00 -0.50 0.00 0.00 54.79 52.33 1s64 n ASP 138 Cb 0.51 -0.30 -0.06 0.00 -1.14 0.00 0.00 41.12 40.12 1s64 n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s64 n LEU 139 N 1.24 -0.95 0.18 -2.12 4.32 -1.26 -4.88 117.00 113.53 1s64 n LEU 139 Ca 0.18 0.35 0.03 0.00 -0.02 0.00 0.00 56.01 56.55 1s64 n LEU 139 Cb 0.54 -2.25 0.38 0.00 -1.62 0.00 0.00 43.42 40.47 1s64 n LEU 139 CO 0.13 -0.81 0.76 0.77 -1.22 0.00 0.00 177.39 177.02 1s64 h SER 140 N 0.00 0.02 -0.04 -1.43 4.64 -2.02 -2.31 113.55 112.42 1s64 h SER 140 Ca -0.29 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1s64 h SER 140 Cb 1.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1s64 h SER 140 CO 0.42 0.35 0.00 0.54 -0.87 0.00 0.00 176.83 177.28 1s64 n ARG 141 N -4.14 1.47 -2.97 4.77 1.74 -1.26 -4.80 116.66 111.47 1s64 n ARG 141 Ca -0.02 -0.69 -0.41 0.00 -0.77 0.00 0.00 57.85 55.96 1s64 n ARG 141 Cb 0.38 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.31 1s64 n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s64 s VAL 142 N -1.96 4.91 -1.16 1.55 1.01 -0.87 -4.96 120.40 118.91 1s64 s VAL 142 Ca 0.39 1.43 -0.21 0.00 0.00 0.00 0.00 61.98 63.59 1s64 s VAL 142 Cb 0.20 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1s64 s VAL 142 CO 0.32 0.00 1.70 -0.62 0.00 0.00 0.00 175.10 176.50 1s64 s ASP 143 N 1.29 6.32 0.23 3.32 -1.08 -1.26 -4.81 116.67 120.68 1s64 s ASP 143 Ca 0.33 -1.87 -0.06 0.00 -0.52 0.00 0.00 52.55 50.42 1s64 s ASP 143 Cb -0.16 -2.58 0.40 0.00 -1.46 0.00 0.00 42.92 39.12 1s64 s ASP 143 CO 0.09 -1.69 1.72 0.11 0.52 0.00 0.00 175.17 175.92 1s64 h LYS 144 N 8.89 0.35 -0.25 4.34 1.57 -1.93 -1.60 116.57 127.94 1s64 h LYS 144 Ca 0.31 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1s64 h LYS 144 Cb 0.93 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1s64 h LYS 144 CO 1.39 0.23 -0.11 0.93 -0.57 0.00 0.00 179.45 181.32 1s64 h GLU 145 N 0.36 0.41 -0.26 3.15 4.39 -2.00 -1.84 114.58 118.79 1s64 h GLU 145 Ca 0.38 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.89 1s64 h GLU 145 Cb 0.57 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1s64 h GLU 145 CO -0.41 0.53 -0.15 0.00 -1.16 0.00 0.00 179.01 177.81 1s64 h ALA 146 N 1.50 0.37 -0.51 3.43 0.00 -1.70 -1.34 119.26 121.01 1s64 h ALA 146 Ca 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1s64 h ALA 146 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1s64 h ALA 146 CO 0.02 0.27 0.33 0.00 0.00 0.00 0.00 179.25 179.87 1s64 h LEU 148 N 0.68 0.72 -0.54 0.00 3.38 -1.28 0.86 115.31 119.12 1s64 h LEU 148 Ca 0.19 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1s64 h LEU 148 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1s64 h LEU 148 CO -0.05 0.75 0.03 0.00 0.09 0.00 0.00 178.44 179.26 1s64 h ALA 149 N 1.34 0.73 -0.71 1.53 0.00 -0.71 -1.20 119.26 120.25 1s64 h ALA 149 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1s64 h ALA 149 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1s64 h ALA 149 CO 0.01 0.52 0.16 0.78 0.00 0.00 0.00 179.25 180.72 1s64 h GLY 150 N 0.82 1.23 0.97 0.00 0.00 -0.43 -2.69 103.07 102.96 1s64 h GLY 150 Ca 0.16 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1s64 h GLY 150 CO 0.02 0.72 -0.09 -2.00 0.00 0.00 0.00 176.54 175.20 1s64 h LEU 151 N 1.08 -0.21 -0.91 3.11 6.46 -0.49 -2.83 115.31 121.52 1s64 h LEU 151 Ca 0.22 -0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.11 1s64 h LEU 151 Cb 0.39 0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.28 1s64 h LEU 151 CO 0.00 -0.12 0.51 0.03 -0.62 0.00 0.00 178.44 178.24 1s64 h ARG 152 N -0.28 0.69 0.00 1.25 3.08 -0.93 0.49 114.38 118.68 1s64 h ARG 152 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s64 h ARG 152 Cb 0.22 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1s64 h ARG 152 CO 0.04 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 1s64 h ALA 153 N 1.58 1.00 0.00 0.04 0.00 -1.23 -2.58 119.26 118.07 1s64 h ALA 153 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1s64 h ALA 153 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1s64 h ALA 153 CO -0.35 0.00 -0.54 -0.07 0.00 0.00 0.00 179.25 178.28 1s64 h LEU 154 N 0.00 0.00 -9.65 0.00 3.38 -0.81 -3.47 115.31 104.76 1s64 h LEU 154 Ca 0.00 -0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.32 1s64 h LEU 154 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1s64 h LEU 154 CO 0.00 0.07 0.42 -1.58 0.09 0.00 0.00 178.44 177.44 1s64 s GLN 155 N -3.19 4.67 0.54 1.13 0.74 -0.97 -1.55 119.66 121.03 1s64 s GLN 155 Ca 0.06 1.60 0.03 0.00 0.05 0.00 0.00 55.36 57.10 1s64 s GLN 155 Cb 0.12 -3.31 0.04 0.00 1.10 0.00 0.00 33.01 30.96 1s64 s GLN 155 CO 0.71 0.19 0.75 -0.51 -0.55 0.00 0.00 175.29 175.88 1s64 s LEU 156 N -0.41 3.32 0.31 3.68 1.43 0.31 -4.98 118.68 122.35 1s64 s LEU 156 Ca 0.47 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1s64 s LEU 156 Cb -0.27 -2.71 0.63 0.00 0.03 0.00 0.00 46.19 43.86 1s64 s LEU 156 CO 0.33 -1.13 1.86 1.05 0.23 0.00 0.00 176.35 178.70 1s64 h GLU 157 N 0.14 0.89 0.00 1.70 4.11 -1.97 -0.75 114.58 118.71 1s64 h GLU 157 Ca -0.41 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1s64 h GLU 157 Cb 1.29 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1s64 h GLU 157 CO 0.49 0.59 0.00 -0.40 0.07 0.00 0.00 179.01 179.76 1s64 n ASP 158 N -4.57 0.00 0.00 3.06 3.85 -1.26 -4.88 116.55 112.75 1s64 n ASP 158 Ca 0.17 -0.66 0.00 0.00 -0.71 0.00 0.00 54.79 53.59 1s64 n ASP 158 Cb 0.35 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 1s64 n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s64 n GLY 159 N 0.57 3.06 3.94 6.12 0.00 -0.29 -4.06 105.19 114.54 1s64 n GLY 159 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1s64 n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s64 s SER 160 N -1.14 2.87 0.16 1.61 1.04 -1.26 -4.04 113.70 112.94 1s64 s SER 160 Ca 0.00 0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.60 1s64 s SER 160 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1s64 s SER 160 CO 0.00 -2.87 -0.17 -0.36 0.98 0.00 0.00 173.24 170.82 1s64 s PHE 161 N -3.91 1.69 0.42 5.02 0.40 -1.26 -0.53 117.98 119.80 1s64 s PHE 161 Ca 0.76 -0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.67 1s64 s PHE 161 Cb -0.02 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.67 1s64 s PHE 161 CO 0.53 0.28 0.53 0.00 0.70 0.00 0.00 175.22 177.27 1s64 n ALA 163 N -1.79 1.37 -2.84 0.00 0.00 -1.26 -4.77 120.51 111.21 1s64 n ALA 163 Ca 0.07 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.53 1s64 n ALA 163 Cb 0.59 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 1s64 n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s64 s VAL 164 N -2.57 0.57 0.56 0.00 -7.23 -1.26 -0.38 120.40 110.08 1s64 s VAL 164 Ca -0.11 -1.02 0.25 0.00 -1.81 0.00 0.00 61.98 59.30 1s64 s VAL 164 Cb 0.07 -0.61 0.33 0.00 0.56 0.00 0.00 36.38 36.73 1s64 s VAL 164 CO 0.80 -0.32 2.16 1.55 -0.31 0.00 0.00 175.10 178.98 1s64 h PRO 165 N 4.63 0.00 0.00 4.82 0.13 -1.86 -0.63 132.00 139.08 1s64 h PRO 165 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1s64 h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s64 h PRO 165 CO 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 1s64 n GLU 166 N -4.11 0.04 0.00 0.86 4.71 -1.26 -4.97 120.64 115.92 1s64 n GLU 166 Ca -0.01 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1s64 n GLU 166 Cb 0.20 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1s64 n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s64 n GLY 167 N 0.25 2.71 0.58 0.62 0.00 -0.24 -5.17 105.19 103.94 1s64 n GLY 167 Ca 0.04 -1.71 -0.00 0.00 0.00 0.00 0.00 46.02 44.34 1s64 n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s64 n SER 168 N 0.00 -0.22 -4.80 1.61 3.41 -1.26 -4.71 113.62 107.65 1s64 n SER 168 Ca 0.00 -1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 57.20 1s64 n SER 168 Cb 0.00 0.36 0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1s64 n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1s64 s GLU 169 N -2.01 2.77 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.66 1s64 s GLU 169 Ca 0.04 1.10 0.02 0.00 0.03 0.00 0.00 54.97 56.15 1s64 s GLU 169 Cb -0.00 -1.96 0.01 0.00 -0.80 0.00 0.00 34.13 31.37 1s64 s GLU 169 CO 0.00 -1.24 -0.08 0.54 -1.33 0.00 0.00 175.26 173.15 1s64 s ASN 170 N -3.41 1.19 0.08 0.83 4.22 -1.26 -4.17 114.94 112.41 1s64 s ASN 170 Ca 0.61 -0.18 -0.08 0.00 -2.14 0.00 0.00 52.86 51.06 1s64 s ASN 170 Cb -0.16 -0.42 0.03 0.00 1.28 0.00 0.00 41.25 41.98 1s64 s ASN 170 CO 0.51 0.03 0.38 -0.90 -2.04 0.00 0.00 177.10 175.08 1s64 n ASP 171 N 3.55 -0.70 -0.21 3.54 5.68 -1.19 -4.93 116.55 122.30 1s64 n ASP 171 Ca -0.21 -1.39 0.11 0.00 -0.50 0.00 0.00 54.79 52.81 1s64 n ASP 171 Cb 0.53 1.14 0.41 0.00 -1.14 0.00 0.00 41.12 42.06 1s64 n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1s64 h MET 172 N 0.00 0.60 -0.82 0.11 1.85 -1.75 -2.29 114.93 112.62 1s64 h MET 172 Ca -0.11 -0.04 0.14 0.00 -0.61 0.00 0.00 59.70 59.08 1s64 h MET 172 Cb 0.46 -0.13 -0.09 0.00 0.43 0.00 0.00 31.60 32.27 1s64 h MET 172 CO 0.14 0.40 0.42 0.00 -0.40 0.00 0.00 176.91 177.47 1s64 h ARG 173 N 0.62 0.60 0.00 0.39 3.08 -1.94 -0.96 114.38 116.17 1s64 h ARG 173 Ca 0.38 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 1s64 h ARG 173 Cb 0.62 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1s64 h ARG 173 CO -0.15 0.40 -0.06 0.74 -1.07 0.00 0.00 179.97 179.83 1s64 h PHE 174 N 0.62 0.00 -0.37 3.04 0.05 -1.69 -2.64 116.94 115.95 1s64 h PHE 174 Ca 0.44 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.09 1s64 h PHE 174 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.53 1s64 h PHE 174 CO -0.10 0.01 -0.33 0.28 -0.18 0.00 0.00 178.31 177.99 1s64 h VAL 175 N 0.00 1.28 -0.45 -0.55 2.07 -1.11 -0.57 116.25 116.92 1s64 h VAL 175 Ca -0.00 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 1s64 h VAL 175 Cb 1.01 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1s64 h VAL 175 CO 0.00 0.49 -0.00 0.22 0.02 0.00 0.00 177.57 178.30 1s64 h TYR 176 N 0.69 0.87 -0.42 1.57 3.20 -1.14 -0.81 116.97 120.92 1s64 h TYR 176 Ca 0.07 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1s64 h TYR 176 Cb 0.88 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1s64 h TYR 176 CO 0.05 0.84 0.22 0.00 -1.64 0.00 0.00 178.16 177.64 1s64 h ALA 178 N 1.08 0.64 -0.45 0.00 0.00 -0.94 -1.14 119.26 118.44 1s64 h ALA 178 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1s64 h ALA 178 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1s64 h ALA 178 CO -0.02 0.02 0.28 0.77 0.00 0.00 0.00 179.25 180.30 1s64 h SER 179 N 0.62 0.54 -0.74 0.00 0.02 -0.79 -1.27 113.55 111.92 1s64 h SER 179 Ca 0.20 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1s64 h SER 179 Cb -0.01 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1s64 h SER 179 CO -0.08 0.43 0.40 0.00 -1.14 0.00 0.00 176.83 176.44 1s64 h ILE 181 N 1.03 1.06 -0.85 0.00 2.04 -0.88 0.03 117.51 119.94 1s64 h ILE 181 Ca 0.26 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1s64 h ILE 181 Cb 0.04 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1s64 h ILE 181 CO -0.04 0.07 0.56 0.00 0.00 0.00 0.00 178.15 178.74 1s64 h TYR 183 N 1.09 0.54 -0.45 0.00 3.20 -0.83 -0.74 116.97 119.79 1s64 h TYR 183 Ca 0.33 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 1s64 h TYR 183 Cb -0.03 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1s64 h TYR 183 CO -0.00 0.67 -0.20 0.52 -1.64 0.00 0.00 178.16 177.52 1s64 h MET 184 N 0.25 0.89 -0.11 1.82 2.86 -0.58 -1.70 114.93 118.37 1s64 h MET 184 Ca 0.07 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1s64 h MET 184 Cb 0.48 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1s64 h MET 184 CO 0.02 1.00 0.00 1.28 1.06 0.00 0.00 176.91 180.27 1s64 n LEU 185 N -4.12 0.79 -4.33 1.22 4.77 -0.14 -4.90 117.00 110.29 1s64 n LEU 185 Ca 0.00 -0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 1s64 n LEU 185 Cb 0.43 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1s64 n LEU 185 CO 0.45 0.18 -0.36 -3.20 -1.33 0.00 0.00 177.39 173.14 1s64 n ASN 186 N -0.19 -0.05 -3.56 -1.43 5.15 -0.44 -4.92 115.26 109.83 1s64 n ASN 186 Ca 0.11 -1.23 -0.04 0.00 -0.60 0.00 0.00 54.58 52.81 1s64 n ASN 186 Cb 0.16 -1.80 -0.06 0.00 -0.53 0.00 0.00 39.78 37.55 1s64 n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1s64 s ASN 187 N -4.06 -0.66 -0.12 1.20 3.84 -0.41 -5.03 114.94 109.70 1s64 s ASN 187 Ca 0.24 1.11 0.11 0.00 0.21 0.00 0.00 52.86 54.53 1s64 s ASN 187 Cb -0.14 1.77 0.55 0.00 -0.55 0.00 0.00 41.25 42.88 1s64 s ASN 187 CO 0.99 -0.24 1.38 0.79 -2.79 0.00 0.00 177.10 177.23 1s64 n TRP 188 N 5.41 1.26 0.89 0.43 7.02 -1.26 -4.04 117.44 127.15 1s64 n TRP 188 Ca -0.08 -0.46 0.10 0.00 -1.02 0.00 0.00 57.50 56.03 1s64 n TRP 188 Cb 0.50 -0.29 0.48 0.00 -2.42 0.00 0.00 31.31 29.58 1s64 n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1s64 n SER 189 N 0.59 0.00 0.07 -0.99 3.41 -1.26 -2.63 113.62 112.81 1s64 n SER 189 Ca 0.19 0.10 0.10 0.00 -0.26 0.00 0.00 58.87 59.00 1s64 n SER 189 Cb 0.79 -0.32 0.43 0.00 -0.26 0.00 0.00 64.21 64.84 1s64 n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s64 n GLY 190 N 0.41 -1.23 3.28 5.00 0.00 -1.26 -4.82 105.19 106.57 1s64 n GLY 190 Ca 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1s64 n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s64 s MET 191 N -3.16 0.99 -0.93 1.61 0.23 -1.08 -2.53 119.30 114.44 1s64 s MET 191 Ca 0.07 -0.80 -0.17 0.00 -1.03 0.00 0.00 55.69 53.76 1s64 s MET 191 Cb 0.10 0.42 0.15 0.00 -1.53 0.00 0.00 34.83 33.98 1s64 s MET 191 CO 0.37 -0.36 1.07 0.34 -2.03 0.00 0.00 175.02 174.42 1s64 s ASP 192 N -2.82 6.68 0.38 -1.18 3.68 -1.26 -4.89 116.67 117.26 1s64 s ASP 192 Ca 0.04 -2.23 0.13 0.00 2.13 0.00 0.00 52.55 52.62 1s64 s ASP 192 Cb 0.03 -2.36 0.95 0.00 -1.45 0.00 0.00 42.92 40.09 1s64 s ASP 192 CO -0.12 -0.95 1.84 -0.03 0.13 0.00 0.00 175.17 176.04 1s64 h MET 193 N 8.53 0.53 -0.50 4.34 1.85 -1.98 -1.65 114.93 126.06 1s64 h MET 193 Ca 0.16 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1s64 h MET 193 Cb 1.02 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 1s64 h MET 193 CO 1.05 0.35 0.30 -0.22 -0.40 0.00 0.00 176.91 177.99 1s64 h LYS 194 N 0.55 0.68 -0.22 0.39 3.11 -2.00 -0.78 116.57 118.30 1s64 h LYS 194 Ca 0.50 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 58.14 1s64 h LYS 194 Cb 1.03 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 1s64 h LYS 194 CO -0.23 0.49 -0.45 0.87 -2.81 0.00 0.00 179.45 177.31 1s64 h LYS 195 N 0.67 0.55 -0.34 1.90 1.57 -1.70 -2.14 116.57 117.08 1s64 h LYS 195 Ca 0.18 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1s64 h LYS 195 Cb -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1s64 h LYS 195 CO -0.03 0.89 0.12 0.00 -0.57 0.00 0.00 179.45 179.86 1s64 h ALA 196 N 1.06 0.45 -0.90 3.86 0.00 -1.10 -1.39 119.26 121.24 1s64 h ALA 196 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1s64 h ALA 196 Cb 0.97 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1s64 h ALA 196 CO 0.09 0.08 0.60 0.82 0.00 0.00 0.00 179.25 180.83 1s64 h ILE 197 N 0.41 1.23 -0.67 0.00 2.04 -1.05 -0.76 117.51 118.70 1s64 h ILE 197 Ca 0.11 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1s64 h ILE 197 Cb 0.23 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1s64 h ILE 197 CO -0.01 0.22 0.28 -1.28 0.00 0.00 0.00 178.15 177.37 1s64 h SER 198 N 1.22 0.92 -0.54 1.72 0.87 -1.00 -1.07 113.55 115.66 1s64 h SER 198 Ca 0.33 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1s64 h SER 198 Cb -0.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.56 1s64 h SER 198 CO -0.07 0.82 0.21 0.22 -0.53 0.00 0.00 176.83 177.48 1s64 h TYR 199 N 0.95 0.82 -0.76 2.24 3.20 -0.31 -1.25 116.97 121.86 1s64 h TYR 199 Ca 0.23 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1s64 h TYR 199 Cb 0.18 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1s64 h TYR 199 CO 0.01 0.68 0.36 0.82 -1.64 0.00 0.00 178.16 178.38 1s64 h ILE 200 N 0.73 1.25 -0.27 1.81 2.04 -0.81 -2.55 117.51 119.71 1s64 h ILE 200 Ca 0.18 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1s64 h ILE 200 Cb 0.20 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1s64 h ILE 200 CO -0.01 0.30 0.04 0.03 0.00 0.00 0.00 178.15 178.50 1s64 h ARG 201 N 1.08 0.46 0.00 2.37 3.08 -0.92 -2.75 114.38 117.70 1s64 h ARG 201 Ca 0.26 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1s64 h ARG 201 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1s64 h ARG 201 CO -0.03 0.58 0.00 0.54 -1.07 0.00 0.00 179.97 179.99 1s64 n ARG 202 N -4.65 0.07 0.00 0.04 1.74 -0.50 -1.76 116.66 111.60 1s64 n ARG 202 Ca -0.03 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.63 1s64 n ARG 202 Cb 0.21 -1.69 0.40 0.00 -1.02 0.00 0.00 32.46 30.37 1s64 n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s64 n SER 203 N -1.84 0.32 -4.72 0.55 3.41 -0.98 -4.02 113.62 106.35 1s64 n SER 203 Ca 0.01 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 1s64 n SER 203 Cb 0.10 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1s64 n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1s64 s MET 204 N -2.98 4.24 0.61 4.33 -2.45 -0.73 -1.44 119.30 120.89 1s64 s MET 204 Ca 0.13 2.29 -0.03 0.00 -1.25 0.00 0.00 55.69 56.83 1s64 s MET 204 Cb 0.18 -3.18 0.04 0.00 1.25 0.00 0.00 34.83 33.13 1s64 s MET 204 CO 0.63 -0.56 0.88 0.45 1.05 0.00 0.00 175.02 177.46 1s64 s SER 205 N 1.13 5.15 0.56 1.11 0.15 -0.11 -4.86 113.70 116.82 1s64 s SER 205 Ca 0.69 0.26 0.31 0.00 0.70 0.00 0.00 55.95 57.91 1s64 s SER 205 Cb -0.42 -1.08 1.65 0.00 -1.71 0.00 0.00 66.02 64.46 1s64 s SER 205 CO 0.31 -1.30 2.14 0.10 1.20 0.00 0.00 173.24 175.69 1s64 h TYR 206 N -0.21 0.00 -0.24 3.44 -0.00 -1.94 -0.47 116.97 117.55 1s64 h TYR 206 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1s64 h TYR 206 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 1s64 h TYR 206 CO 0.37 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.20 1s64 n ASP 207 N -3.52 1.83 0.00 0.10 3.85 -1.26 -4.94 116.55 112.62 1s64 n ASP 207 Ca -0.02 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.25 1s64 n ASP 207 Cb 0.20 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 1s64 n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1s64 n ASN 208 N 0.45 0.00 -4.55 -1.12 3.02 -0.19 -4.79 115.26 108.08 1s64 n ASN 208 Ca 0.15 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.42 1s64 n ASN 208 Cb 0.33 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.63 1s64 n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1s64 s GLY 209 N -1.98 1.71 -0.10 7.41 0.00 -1.26 -4.26 107.32 108.84 1s64 s GLY 209 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1s64 s GLY 209 CO 0.00 -0.48 0.04 1.08 0.00 0.00 0.00 173.10 173.75 1s64 s LEU 210 N -5.58 3.82 0.56 0.66 1.02 -1.26 -0.94 118.68 116.95 1s64 s LEU 210 Ca 0.67 0.22 0.07 0.00 0.02 0.00 0.00 54.13 55.12 1s64 s LEU 210 Cb -0.07 -1.90 0.06 0.00 0.02 0.00 0.00 46.19 44.30 1s64 s LEU 210 CO 0.49 0.37 0.57 0.00 0.02 0.00 0.00 176.35 177.80 1s64 s ALA 211 N -0.80 4.56 0.22 4.21 0.00 -0.52 -1.01 121.76 128.42 1s64 s ALA 211 Ca 0.13 -1.64 0.25 0.00 0.00 0.00 0.00 51.96 50.69 1s64 s ALA 211 Cb -0.12 -1.05 1.09 0.00 0.00 0.00 0.00 23.12 23.05 1s64 s ALA 211 CO 0.03 -0.63 1.90 1.96 0.00 0.00 0.00 175.76 179.02 1s64 h GLN 212 N 0.50 0.00 -2.35 0.00 1.08 -1.87 -3.45 115.11 109.02 1s64 h GLN 212 Ca -0.34 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1s64 h GLN 212 Cb 1.30 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.64 1s64 h GLN 212 CO 0.50 0.19 0.48 0.20 -0.95 0.00 0.00 178.83 179.25 1s64 s GLY 213 N -4.26 -0.27 0.21 3.46 0.00 -1.26 -2.19 107.32 103.01 1s64 s GLY 213 Ca -0.00 0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.65 1s64 s GLY 213 CO 0.62 0.05 1.32 0.00 0.00 0.00 0.00 173.10 175.09 1s64 n ALA 214 N -0.44 0.36 0.00 3.20 0.00 -1.26 -2.12 120.51 120.26 1s64 n ALA 214 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1s64 n ALA 214 Cb 0.61 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1s64 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s64 n GLY 215 N 2.15 3.08 3.85 0.00 0.00 -1.26 -5.02 105.19 107.98 1s64 n GLY 215 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1s64 n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s64 s LEU 216 N 0.00 2.84 0.10 0.99 1.02 -0.90 -4.99 118.68 117.74 1s64 s LEU 216 Ca 0.00 1.26 -0.31 0.00 0.02 0.00 0.00 54.13 55.10 1s64 s LEU 216 Cb 0.00 -4.02 -0.09 0.00 0.02 0.00 0.00 46.19 42.10 1s64 s LEU 216 CO 0.00 -1.54 1.63 -0.70 0.02 0.00 0.00 176.35 175.75 1s64 s GLU 217 N -5.24 4.20 0.58 1.70 2.12 -1.26 -4.68 118.70 116.11 1s64 s GLU 217 Ca 0.59 2.34 -0.21 0.00 0.36 0.00 0.00 54.97 58.05 1s64 s GLU 217 Cb -0.13 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1s64 s GLU 217 CO 0.53 -0.69 1.35 -1.54 -0.54 0.00 0.00 175.26 174.36 1s64 s SER 218 N 2.03 5.05 0.00 -1.70 1.04 -1.26 -4.45 113.70 114.41 1s64 s SER 218 Ca 0.73 2.74 -0.08 0.00 0.48 0.00 0.00 55.95 59.82 1s64 s SER 218 Cb -0.41 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.08 1s64 s SER 218 CO 0.32 -1.72 0.15 -2.28 0.98 0.00 0.00 173.24 170.69 1s64 s HIS 219 N -1.32 0.02 0.32 5.02 2.46 -0.18 -4.81 115.29 116.80 1s64 s HIS 219 Ca 0.75 -0.09 0.01 0.00 0.47 0.00 0.00 55.06 56.19 1s64 s HIS 219 Cb -0.40 -0.04 0.54 0.00 -0.13 0.00 0.00 32.58 32.56 1s64 s HIS 219 CO 0.46 -0.29 1.96 0.78 -2.47 0.00 0.00 174.74 175.18 1s64 h GLY 220 N 4.28 1.14 0.67 1.59 0.00 -0.38 -0.34 103.07 110.02 1s64 h GLY 220 Ca -0.31 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1s64 h GLY 220 CO 0.40 0.34 -0.04 -1.33 0.00 0.00 0.00 176.54 175.92 1s64 h GLY 221 N 1.00 0.18 1.95 4.60 0.00 -1.91 -2.02 103.07 106.87 1s64 h GLY 221 Ca 0.32 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1s64 h GLY 221 CO -0.09 0.15 -0.44 1.48 0.00 0.00 0.00 176.54 177.64 1s64 h SER 222 N -0.20 0.06 -0.49 0.19 4.64 -1.77 -1.04 113.55 114.95 1s64 h SER 222 Ca 0.02 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1s64 h SER 222 Cb 0.49 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1s64 h SER 222 CO 0.01 0.49 -0.05 0.74 -0.87 0.00 0.00 176.83 177.15 1s64 h THR 223 N 0.05 1.27 -0.08 2.95 2.02 -1.05 0.09 112.91 118.16 1s64 h THR 223 Ca 0.00 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1s64 h THR 223 Cb 0.79 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1s64 h THR 223 CO 0.06 0.40 0.04 0.15 0.37 0.00 0.00 175.52 176.54 1s64 h PHE 224 N 0.75 0.12 -0.83 3.16 3.57 -1.00 -0.82 116.94 121.88 1s64 h PHE 224 Ca 0.13 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1s64 h PHE 224 Cb 0.59 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1s64 h PHE 224 CO 0.04 0.18 0.50 0.00 -2.23 0.00 0.00 178.31 176.81 1s64 h GLY 226 N 0.89 0.05 0.85 0.00 0.00 -0.78 -1.87 103.07 102.22 1s64 h GLY 226 Ca 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1s64 h GLY 226 CO -0.20 0.04 0.03 -2.22 0.00 0.00 0.00 176.54 174.20 1s64 h ILE 227 N -0.37 1.23 -0.97 2.60 1.08 -0.94 -2.28 117.51 117.86 1s64 h ILE 227 Ca 0.00 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1s64 h ILE 227 Cb 0.45 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.46 1s64 h ILE 227 CO 0.00 0.24 0.61 0.00 -0.69 0.00 0.00 178.15 178.31 1s64 h ALA 228 N 0.84 1.23 -0.34 1.87 0.00 -0.66 -0.76 119.26 121.44 1s64 h ALA 228 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s64 h ALA 228 Cb 0.33 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s64 h ALA 228 CO 0.01 0.66 0.21 0.77 0.00 0.00 0.00 179.25 180.90 1s64 h SER 229 N 1.33 0.41 -0.72 0.00 0.02 -1.20 0.30 113.55 113.69 1s64 h SER 229 Ca 0.35 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1s64 h SER 229 Cb -0.10 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1s64 h SER 229 CO -0.07 0.33 0.36 -0.07 -1.14 0.00 0.00 176.83 176.24 1s64 h LEU 230 N 0.45 0.92 -0.66 5.07 3.38 -0.90 -1.28 115.31 122.29 1s64 h LEU 230 Ca 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s64 h LEU 230 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1s64 h LEU 230 CO -0.02 0.78 0.32 0.00 0.09 0.00 0.00 178.44 179.61 1s64 h LEU 232 N 0.92 0.43 0.00 0.00 4.07 -0.52 -0.08 115.31 120.13 1s64 h LEU 232 Ca 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1s64 h LEU 232 Cb 0.12 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1s64 h LEU 232 CO -0.03 0.41 -0.14 0.23 -1.08 0.00 0.00 178.44 177.83 1s64 n MET 233 N -4.39 0.20 -2.97 1.13 2.81 -0.52 -4.93 117.12 108.46 1s64 n MET 233 Ca 0.02 0.14 -0.13 0.00 -1.81 0.00 0.00 57.70 55.92 1s64 n MET 233 Cb 0.15 -1.71 0.04 0.00 -0.71 0.00 0.00 33.22 30.99 1s64 n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s64 n GLY 234 N 1.36 0.12 0.38 3.03 0.00 0.47 -4.94 105.19 105.61 1s64 n GLY 234 Ca 0.05 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1s64 n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s64 n LYS 235 N -2.80 0.49 0.21 1.61 5.02 -0.33 -4.88 118.16 117.48 1s64 n LYS 235 Ca -0.01 -1.64 -0.16 0.00 -2.02 0.00 0.00 58.31 54.48 1s64 n LYS 235 Cb 0.54 -0.86 -0.08 0.00 -0.02 0.00 0.00 35.03 34.60 1s64 n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1s64 h LEU 236 N 0.05 -1.22 -1.42 -0.35 6.46 -1.91 -0.87 115.31 116.06 1s64 h LEU 236 Ca -0.01 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1s64 h LEU 236 Cb 1.26 0.43 -0.03 0.00 -0.73 0.00 0.00 40.66 41.59 1s64 h LEU 236 CO 0.00 -0.55 0.41 -0.33 -0.62 0.00 0.00 178.44 177.35 1s64 h GLU 237 N -0.80 0.75 -0.17 1.25 4.39 -1.90 -2.08 114.58 116.03 1s64 h GLU 237 Ca -0.02 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1s64 h GLU 237 Cb 0.74 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1s64 h GLU 237 CO -0.13 0.50 -0.57 1.49 -1.16 0.00 0.00 179.01 179.14 1s64 h GLU 238 N 0.78 0.54 0.22 2.33 4.81 -1.82 -3.35 114.58 118.08 1s64 h GLU 238 Ca 0.24 -0.35 -0.34 0.00 -0.13 0.00 0.00 59.36 58.78 1s64 h GLU 238 Cb 0.01 0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.46 1s64 h GLU 238 CO -0.06 0.96 -1.61 0.28 -0.73 0.00 0.00 179.01 177.85 1s64 h VAL 239 N 0.41 1.12 -3.70 0.32 2.07 -0.83 -3.46 116.25 112.18 1s64 h VAL 239 Ca 0.00 -2.63 -0.68 0.00 0.82 0.00 0.00 66.70 64.22 1s64 h VAL 239 Cb 1.11 2.90 -0.22 0.00 -1.52 0.00 0.00 31.29 33.56 1s64 h VAL 239 CO 0.11 0.84 -0.73 -0.36 0.02 0.00 0.00 177.57 177.44 1s64 s PHE 240 N -2.59 2.84 0.91 1.57 2.99 -0.81 -5.08 117.98 117.80 1s64 s PHE 240 Ca -0.12 -0.19 -0.12 0.00 0.00 0.00 0.00 56.93 56.50 1s64 s PHE 240 Cb 0.05 -1.73 0.14 0.00 0.00 0.00 0.00 43.02 41.48 1s64 s PHE 240 CO 0.90 0.15 1.12 -1.54 -0.00 0.00 0.00 175.22 175.84 1s64 s SER 241 N -0.46 3.49 0.21 1.36 1.04 -1.26 -4.62 113.70 113.45 1s64 s SER 241 Ca 0.06 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.50 1s64 s SER 241 Cb -0.12 -1.74 0.15 0.00 0.10 0.00 0.00 66.02 64.41 1s64 s SER 241 CO 0.02 -2.58 1.86 -0.08 0.98 0.00 0.00 173.24 173.44 1s64 h GLU 242 N -1.51 1.01 -0.63 4.02 4.81 -1.99 0.22 114.58 120.51 1s64 h GLU 242 Ca -0.51 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 1s64 h GLU 242 Cb 1.32 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1s64 h GLU 242 CO 0.60 0.70 0.34 -0.22 -0.73 0.00 0.00 179.01 179.70 1s64 h LYS 243 N 1.03 0.89 -0.15 1.92 3.64 -1.99 -0.57 116.57 121.34 1s64 h LYS 243 Ca 0.27 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1s64 h LYS 243 Cb -0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1s64 h LYS 243 CO -0.05 0.68 0.06 0.93 -2.27 0.00 0.00 179.45 178.80 1s64 h GLU 244 N 0.86 0.22 -0.37 1.90 5.08 -1.76 -1.92 114.58 118.60 1s64 h GLU 244 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1s64 h GLU 244 Cb 0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1s64 h GLU 244 CO -0.03 0.29 0.19 -0.07 -1.00 0.00 0.00 179.01 178.38 1s64 h LEU 245 N 0.10 0.44 -0.80 1.33 3.38 -0.74 -0.75 115.31 118.28 1s64 h LEU 245 Ca 0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1s64 h LEU 245 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1s64 h LEU 245 CO -0.01 0.37 -0.05 0.78 0.09 0.00 0.00 178.44 179.62 1s64 h ASN 246 N 0.50 0.83 -0.45 -0.43 -0.26 -0.68 -0.03 115.58 115.06 1s64 h ASN 246 Ca 0.13 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.51 1s64 h ASN 246 Cb 0.03 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 1s64 h ASN 246 CO -0.02 0.93 -0.21 0.03 -1.06 0.00 0.00 177.43 177.10 1s64 h ARG 247 N 0.78 0.94 -0.46 0.81 3.08 -0.49 -1.46 114.38 117.59 1s64 h ARG 247 Ca 0.14 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 1s64 h ARG 247 Cb 0.54 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1s64 h ARG 247 CO 0.03 1.07 0.05 0.82 -1.07 0.00 0.00 179.97 180.87 1s64 h ILE 248 N 0.78 1.25 -0.71 2.04 2.04 -0.96 -1.39 117.51 120.56 1s64 h ILE 248 Ca 0.10 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.02 1s64 h ILE 248 Cb 0.78 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1s64 h ILE 248 CO 0.06 0.33 0.46 0.11 0.00 0.00 0.00 178.15 179.12 1s64 h LYS 249 N 0.63 0.90 -0.42 2.37 1.57 -0.89 0.01 116.57 120.74 1s64 h LYS 249 Ca 0.14 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1s64 h LYS 249 Cb 0.43 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1s64 h LYS 249 CO 0.01 0.60 0.26 -0.09 -0.57 0.00 0.00 179.45 179.66 1s64 h ARG 250 N 0.93 0.56 -0.46 3.15 9.65 -0.96 -0.04 114.38 127.21 1s64 h ARG 250 Ca 0.27 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1s64 h ARG 250 Cb -0.06 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 1s64 h ARG 250 CO -0.08 0.40 0.30 2.35 2.80 0.00 0.00 179.97 185.75 1s64 h TRP 251 N 0.55 0.57 0.05 2.20 7.01 -0.59 -2.27 115.95 123.47 1s64 h TRP 251 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1s64 h TRP 251 Cb -0.02 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 1s64 h TRP 251 CO -0.04 0.36 -0.02 0.00 -2.79 0.00 0.00 178.44 175.95 1s64 h ILE 253 N -0.31 0.00 0.00 0.00 2.10 -0.96 -0.39 117.51 117.95 1s64 h ILE 253 Ca -0.01 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1s64 h ILE 253 Cb 0.28 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1s64 h ILE 253 CO 0.01 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.31 1s64 n MET 254 N -2.74 0.05 0.26 2.19 2.81 -0.86 -3.22 117.12 115.61 1s64 n MET 254 Ca -0.00 0.07 0.16 0.00 -1.81 0.00 0.00 57.70 56.12 1s64 n MET 254 Cb 0.19 -1.50 0.53 0.00 -0.71 0.00 0.00 33.22 31.73 1s64 n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s64 h ARG 255 N 0.00 0.00 -6.30 0.03 2.47 -1.10 -3.44 114.38 106.04 1s64 h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1s64 h ARG 255 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 1s64 h ARG 255 CO 0.00 0.00 0.66 -1.14 0.56 0.00 0.00 179.97 180.05 1s64 s GLN 256 N -3.54 4.37 -0.12 0.04 0.74 -1.20 -2.48 119.66 117.48 1s64 s GLN 256 Ca 0.03 1.60 -0.01 0.00 0.05 0.00 0.00 55.36 57.03 1s64 s GLN 256 Cb 0.08 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.57 1s64 s GLN 256 CO 0.58 -0.40 -0.12 1.04 -0.55 0.00 0.00 175.29 175.84 1s64 n GLN 257 N 5.10 0.29 0.11 1.67 1.13 -1.26 -4.97 117.38 119.46 1s64 n GLN 257 Ca 0.10 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1s64 n GLN 257 Cb 0.47 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1s64 n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1s64 n ASN 258 N -3.02 -2.01 -0.44 1.08 0.23 -1.26 -5.07 115.26 104.78 1s64 n ASN 258 Ca -0.22 0.48 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 1s64 n ASN 258 Cb 0.71 2.09 0.00 0.00 -2.08 0.00 0.00 39.78 40.50 1s64 n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s64 n GLY 259 N -1.45 1.55 3.39 4.83 0.00 -1.26 -2.49 105.19 109.76 1s64 n GLY 259 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1s64 n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s64 s TYR 260 N 1.71 2.34 0.34 1.61 1.51 -1.26 -4.46 117.35 119.14 1s64 s TYR 260 Ca 0.00 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 1s64 s TYR 260 Cb 0.00 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1s64 s TYR 260 CO 0.00 0.28 0.21 -3.38 -1.11 0.00 0.00 175.55 171.56 1s64 s HIS 261 N -0.99 2.79 -0.44 2.71 -3.43 -1.03 -1.19 115.29 113.70 1s64 s HIS 261 Ca 0.14 -0.36 0.23 0.00 -0.80 0.00 0.00 55.06 54.27 1s64 s HIS 261 Cb -0.10 -1.73 0.23 0.00 -1.43 0.00 0.00 32.58 29.55 1s64 s HIS 261 CO 0.05 0.25 1.29 0.78 -2.00 0.00 0.00 174.74 175.12 1s64 h GLY 262 N 1.40 0.00 -3.59 -1.38 0.00 -1.87 -3.45 103.07 94.18 1s64 h GLY 262 Ca -0.44 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1s64 h GLY 262 CO 0.61 0.00 0.23 1.09 0.00 0.00 0.00 176.54 178.47 1s64 s ARG 263 N -3.25 1.11 0.20 4.80 1.70 -1.26 0.36 118.95 122.61 1s64 s ARG 263 Ca 0.04 -0.07 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 1s64 s ARG 263 Cb 0.10 0.52 -0.16 0.00 -0.57 0.00 0.00 34.95 34.84 1s64 s ARG 263 CO 0.73 -0.42 0.84 -2.30 -1.08 0.00 0.00 175.30 173.08 1s64 n PRO 264 N 0.32 0.61 -1.93 3.89 -0.02 -1.26 -2.27 135.00 134.34 1s64 n PRO 264 Ca -0.17 0.22 -0.20 0.00 -2.02 0.00 0.00 63.50 61.33 1s64 n PRO 264 Cb 0.61 -1.47 -0.05 0.00 -0.02 0.00 0.00 33.50 32.56 1s64 n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s64 n ASN 265 N 1.73 -5.47 -4.49 2.55 3.02 -1.26 -5.01 115.26 106.33 1s64 n ASN 265 Ca 0.15 0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 54.67 1s64 n ASN 265 Cb 0.25 -4.61 -0.11 0.00 -0.61 0.00 0.00 39.78 34.70 1s64 n ASN 265 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s64 s LYS 266 N -4.25 1.79 0.58 3.52 -0.14 -0.96 -5.12 119.74 115.17 1s64 s LYS 266 Ca 0.00 -1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 53.25 1s64 s LYS 266 Cb 0.00 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 1s64 s LYS 266 CO 0.00 0.48 1.17 -1.25 -0.76 0.00 0.00 175.35 174.99 1s64 s PRO 267 N -2.15 3.09 0.73 -1.68 0.04 -1.26 -4.77 135.00 129.00 1s64 s PRO 267 Ca 0.18 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1s64 s PRO 267 Cb -0.11 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1s64 s PRO 267 CO 0.10 -1.09 1.13 0.14 0.04 0.00 0.00 177.00 177.33 1s64 s VAL 268 N -1.71 2.90 -0.09 -0.36 -7.23 -1.26 -4.58 120.40 108.07 1s64 s VAL 268 Ca 0.75 0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 61.26 1s64 s VAL 268 Cb -0.27 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 33.87 1s64 s VAL 268 CO 0.31 -0.30 0.20 -0.62 -0.31 0.00 0.00 175.10 174.38 1s64 s ASP 269 N -2.65 -0.01 0.30 4.85 -1.08 -0.33 -4.83 116.67 112.91 1s64 s ASP 269 Ca 0.67 0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 53.11 1s64 s ASP 269 Cb -0.22 0.34 0.65 0.00 -1.46 0.00 0.00 42.92 42.23 1s64 s ASP 269 CO 0.48 -0.18 1.56 0.74 0.52 0.00 0.00 175.17 178.29 1s64 h THR 270 N 6.06 0.00 -0.16 1.71 2.02 -1.60 -0.59 112.91 120.34 1s64 h THR 270 Ca -0.35 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.87 1s64 h THR 270 Cb 1.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1s64 h THR 270 CO 0.34 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.43 1s64 h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.34 -1.16 116.97 114.52 1s64 h TYR 272 Ca 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1s64 h TYR 272 Cb 0.47 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1s64 h TYR 272 CO 0.00 0.00 -0.03 0.77 -1.05 0.00 0.00 178.16 177.85 1s64 h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.23 0.53 113.55 116.75 1s64 h SER 273 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1s64 h SER 273 Cb 0.45 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1s64 h SER 273 CO 0.00 0.03 -2.01 0.33 -1.14 0.00 0.00 176.83 174.03 1s64 n PHE 274 N -3.76 0.29 -0.04 3.45 7.35 -0.50 -2.90 117.46 121.36 1s64 n PHE 274 Ca -0.03 0.13 -0.10 0.00 -0.76 0.00 0.00 57.45 56.69 1s64 n PHE 274 Cb 0.11 -0.97 -0.04 0.00 0.35 0.00 0.00 39.48 38.94 1s64 n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1s64 h TRP 275 N -1.00 -0.93 0.05 -5.13 4.06 -1.24 0.63 115.95 112.39 1s64 h TRP 275 Ca -0.53 0.05 -0.11 0.00 2.06 0.00 0.00 58.89 60.36 1s64 h TRP 275 Cb 1.44 0.44 0.01 0.00 -1.00 0.00 0.00 29.16 30.05 1s64 h TRP 275 CO -0.08 -0.40 -0.47 0.28 -3.56 0.00 0.00 178.44 174.21 1s64 h VAL 276 N -0.36 1.56 -0.65 1.49 2.07 -1.12 -3.07 116.25 116.18 1s64 h VAL 276 Ca 0.12 -2.26 0.08 0.00 0.82 0.00 0.00 66.70 65.45 1s64 h VAL 276 Cb 0.55 3.01 -0.06 0.00 -1.52 0.00 0.00 31.29 33.27 1s64 h VAL 276 CO -0.41 0.63 0.32 1.23 0.02 0.00 0.00 177.57 179.35 1s64 h GLY 277 N -0.48 0.94 1.78 2.17 0.00 -1.41 0.91 103.07 106.99 1s64 h GLY 277 Ca -0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1s64 h GLY 277 CO 0.09 0.08 -0.17 0.00 0.00 0.00 0.00 176.54 176.53 1s64 h ALA 278 N 1.38 1.42 -0.10 3.60 0.00 0.17 0.05 119.26 125.77 1s64 h ALA 278 Ca 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1s64 h ALA 278 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1s64 h ALA 278 CO -0.24 0.41 -0.04 1.15 0.00 0.00 0.00 179.25 180.53 1s64 h THR 279 N 0.25 1.30 -0.81 0.00 2.02 -1.02 -0.91 112.91 113.74 1s64 h THR 279 Ca 0.05 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.27 1s64 h THR 279 Cb 0.45 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1s64 h THR 279 CO 0.03 0.29 0.53 -0.07 0.37 0.00 0.00 175.52 176.66 1s64 h LEU 280 N -0.13 0.81 -0.49 2.58 3.38 -0.46 -0.06 115.31 120.94 1s64 h LEU 280 Ca 0.02 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 280 Cb 0.47 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1s64 h LEU 280 CO 0.01 0.53 0.04 0.50 0.09 0.00 0.00 178.44 179.62 1s64 h LYS 281 N 0.92 0.83 0.00 1.13 1.63 -0.72 -0.20 116.57 120.16 1s64 h LYS 281 Ca 0.34 -0.24 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1s64 h LYS 281 Cb 0.16 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1s64 h LYS 281 CO -0.11 0.85 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.35 1s64 h LEU 282 N 0.69 0.00 -1.22 5.20 3.38 -0.15 -1.56 115.31 121.65 1s64 h LEU 282 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1s64 h LEU 282 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1s64 h LEU 282 CO 0.02 0.31 0.00 0.18 0.09 0.00 0.00 178.44 179.04 1s64 n LEU 283 N -4.15 1.79 -2.34 1.67 4.77 -0.13 -4.94 117.00 113.68 1s64 n LEU 283 Ca -0.02 -0.85 -0.21 0.00 -0.03 0.00 0.00 56.01 54.90 1s64 n LEU 283 Cb 0.36 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1s64 n LEU 283 CO 0.38 0.42 -0.26 0.29 -1.33 0.00 0.00 177.39 176.89 1s64 n LYS 284 N 0.45 -1.65 -0.13 3.23 5.02 -0.59 -4.88 118.16 119.61 1s64 n LYS 284 Ca 0.13 1.02 0.02 0.00 -2.02 0.00 0.00 58.31 57.46 1s64 n LYS 284 Cb 0.31 -5.66 0.03 0.00 -0.02 0.00 0.00 35.03 29.68 1s64 n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1s64 n ILE 285 N -3.95 0.65 0.20 -0.18 -5.35 -0.19 -4.73 119.36 105.81 1s64 n ILE 285 Ca -0.25 -0.72 0.05 0.00 -0.27 0.00 0.00 62.75 61.56 1s64 n ILE 285 Cb 0.69 0.50 0.48 0.00 -1.74 0.00 0.00 39.64 39.57 1s64 n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1s64 h PHE 286 N 0.00 0.06 -0.07 4.28 3.57 -1.79 -1.49 116.94 121.50 1s64 h PHE 286 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1s64 h PHE 286 Cb 0.97 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1s64 h PHE 286 CO 0.02 0.22 0.14 -0.56 -2.23 0.00 0.00 178.31 175.90 1s64 h GLN 287 N 0.05 0.00 -0.22 1.11 3.07 -1.88 -1.14 115.11 116.10 1s64 h GLN 287 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1s64 h GLN 287 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1s64 h GLN 287 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1s64 n TYR 288 N -3.38 0.28 -2.24 0.06 0.53 -0.56 -4.93 117.16 106.92 1s64 n TYR 288 Ca -0.01 -0.14 -0.26 0.00 -1.02 0.00 0.00 57.90 56.47 1s64 n TYR 288 Cb 0.23 0.00 0.06 0.00 -1.03 0.00 0.00 39.34 38.60 1s64 n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1s64 s THR 289 N -1.72 2.43 -0.56 -0.72 -4.23 -0.43 -5.02 115.64 105.39 1s64 s THR 289 Ca 0.34 -0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.36 1s64 s THR 289 Cb 0.19 -3.04 0.05 0.00 1.34 0.00 0.00 72.50 71.04 1s64 s THR 289 CO 0.28 -0.05 0.89 0.21 -0.54 0.00 0.00 174.62 175.42 1s64 s ASN 290 N -4.49 6.30 0.07 3.99 3.84 -1.26 -4.94 114.94 118.45 1s64 s ASN 290 Ca 0.59 -0.54 -0.20 0.00 0.21 0.00 0.00 52.86 52.93 1s64 s ASN 290 Cb -0.11 -2.41 -0.10 0.00 -0.55 0.00 0.00 41.25 38.09 1s64 s ASN 290 CO 0.44 -1.20 1.51 -0.26 -2.79 0.00 0.00 177.10 174.80 1s64 h PHE 291 N 9.29 0.40 -0.06 0.43 0.05 -1.95 -3.19 116.94 121.92 1s64 h PHE 291 Ca -0.27 -0.07 0.03 0.00 3.82 0.00 0.00 57.97 61.48 1s64 h PHE 291 Cb 1.08 -0.10 -0.03 0.00 2.00 0.00 0.00 35.95 38.89 1s64 h PHE 291 CO 0.89 0.55 -0.12 1.49 -0.18 0.00 0.00 178.31 180.95 1s64 h GLU 292 N 0.13 -0.16 -0.24 1.51 4.81 -1.97 -0.02 114.58 118.63 1s64 h GLU 292 Ca 0.06 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1s64 h GLU 292 Cb 0.40 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1s64 h GLU 292 CO 0.01 -0.11 -0.03 0.87 -0.73 0.00 0.00 179.01 179.02 1s64 h LYS 293 N -0.17 0.37 -0.03 1.92 1.57 -1.85 0.10 116.57 118.48 1s64 h LYS 293 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1s64 h LYS 293 Cb 0.25 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1s64 h LYS 293 CO -0.16 0.42 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.14 1s64 h ASN 294 N 0.36 0.08 -0.58 0.86 -1.24 -1.16 -2.08 115.58 111.82 1s64 h ASN 294 Ca 0.08 -0.51 0.02 0.00 0.71 0.00 0.00 56.30 56.60 1s64 h ASN 294 Cb 0.29 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 1s64 h ASN 294 CO 0.01 0.57 0.37 -0.09 -1.29 0.00 0.00 177.43 177.00 1s64 h ARG 295 N -0.41 0.72 -0.66 6.67 2.43 -0.75 -1.00 114.38 121.38 1s64 h ARG 295 Ca 0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1s64 h ARG 295 Cb 0.55 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1s64 h ARG 295 CO 0.01 0.47 0.41 -0.91 -1.51 0.00 0.00 179.97 178.44 1s64 h ASN 296 N 0.74 0.67 0.14 -3.80 2.35 -0.79 -1.64 115.58 113.25 1s64 h ASN 296 Ca 0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1s64 h ASN 296 Cb -0.04 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1s64 h ASN 296 CO -0.07 0.47 -0.07 0.22 -1.65 0.00 0.00 177.43 176.33 1s64 h TYR 297 N 0.80 -0.18 -0.28 1.19 3.20 -0.80 -1.78 116.97 119.12 1s64 h TYR 297 Ca 0.26 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.19 1s64 h TYR 297 Cb 0.01 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.28 1s64 h TYR 297 CO -0.05 0.05 -0.17 0.82 -1.64 0.00 0.00 178.16 177.17 1s64 h ILE 298 N -0.39 0.50 0.00 1.81 2.04 -1.04 -1.00 117.51 119.43 1s64 h ILE 298 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1s64 h ILE 298 Cb 0.31 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1s64 h ILE 298 CO 0.03 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 178.01 1s64 h LEU 299 N -0.14 0.00 -0.14 1.44 3.38 -1.27 -1.44 115.31 117.14 1s64 h LEU 299 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1s64 h LEU 299 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1s64 h LEU 299 CO -0.37 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 1s64 n SER 300 N -4.05 0.17 -1.16 -0.43 3.41 -0.39 -2.01 113.62 109.15 1s64 n SER 300 Ca -0.02 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1s64 n SER 300 Cb 0.19 -0.57 0.26 0.00 -0.26 0.00 0.00 64.21 63.83 1s64 n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1s64 n THR 301 N -1.68 0.86 -2.45 6.66 -2.24 -0.54 -4.29 114.28 110.60 1s64 n THR 301 Ca 0.04 -0.93 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 1s64 n THR 301 Cb 0.22 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1s64 n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1s64 s GLN 302 N -1.11 4.58 -0.55 -0.78 0.74 -0.85 -0.82 119.66 120.88 1s64 s GLN 302 Ca 0.41 1.81 -0.19 0.00 0.05 0.00 0.00 55.36 57.45 1s64 s GLN 302 Cb 0.22 -3.22 0.08 0.00 1.10 0.00 0.00 33.01 31.19 1s64 s GLN 302 CO 0.29 0.09 0.65 0.34 -0.55 0.00 0.00 175.29 176.11 1s64 s ASP 303 N -0.43 6.20 0.31 6.67 -1.08 -0.61 -4.87 116.67 122.86 1s64 s ASP 303 Ca 0.48 -1.20 0.24 0.00 -0.52 0.00 0.00 52.55 51.54 1s64 s ASP 303 Cb -0.32 -2.29 1.13 0.00 -1.46 0.00 0.00 42.92 39.98 1s64 s ASP 303 CO 0.39 -0.98 1.72 0.03 0.52 0.00 0.00 175.17 176.85 1s64 h ARG 304 N 9.07 0.00 0.00 4.34 3.08 -1.88 0.20 114.38 129.18 1s64 h ARG 304 Ca -0.29 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.62 1s64 h ARG 304 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1s64 h ARG 304 CO 1.03 0.00 -1.25 -0.11 -1.07 0.00 0.00 179.97 178.57 1s64 n LEU 305 N -2.31 1.89 0.01 3.04 -0.00 -1.26 -4.64 117.00 113.74 1s64 n LEU 305 Ca 0.00 0.43 0.11 0.00 -0.00 0.00 0.00 56.01 56.56 1s64 n LEU 305 Cb 0.14 -0.83 0.03 0.00 -0.00 0.00 0.00 43.42 42.76 1s64 n LEU 305 CO 0.16 -0.05 0.07 1.33 -0.00 0.00 0.00 177.39 178.89 1s64 n VAL 306 N -4.45 0.08 -0.09 1.96 0.24 -1.23 -5.08 118.33 109.74 1s64 n VAL 306 Ca -0.24 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1s64 n VAL 306 Cb 0.56 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1s64 n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s64 n GLY 307 N 1.43 -3.23 0.33 7.63 0.00 0.69 -4.45 105.19 107.60 1s64 n GLY 307 Ca 0.03 -1.81 0.05 0.00 0.00 0.00 0.00 46.02 44.28 1s64 n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s64 n GLY 308 N -0.50 -1.53 3.29 -0.02 0.00 -1.26 -4.26 105.19 100.90 1s64 n GLY 308 Ca 0.00 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 1s64 n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s64 s PHE 309 N -1.46 1.67 0.54 1.61 0.40 -1.26 -1.57 117.98 117.92 1s64 s PHE 309 Ca 0.00 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1s64 s PHE 309 Cb 0.00 -0.87 0.04 0.00 0.51 0.00 0.00 43.02 42.69 1s64 s PHE 309 CO 0.00 0.23 0.38 0.00 0.70 0.00 0.00 175.22 176.54 1s64 s ALA 310 N -1.77 4.42 0.04 5.36 0.00 0.00 -2.70 121.76 127.11 1s64 s ALA 310 Ca 0.10 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.96 1s64 s ALA 310 Cb -0.07 -0.69 -0.17 0.00 0.00 0.00 0.00 23.12 22.19 1s64 s ALA 310 CO 0.05 -0.42 1.19 1.57 0.00 0.00 0.00 175.76 178.15 1s64 h LYS 311 N 0.78 0.00 -5.00 0.00 2.10 -1.87 -3.41 116.57 109.17 1s64 h LYS 311 Ca -0.37 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.97 1s64 h LYS 311 Cb 1.30 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.49 1s64 h LYS 311 CO 0.58 0.82 -0.71 -1.58 -2.00 0.00 0.00 179.45 176.56 1s64 s TRP 312 N -2.74 1.22 0.53 0.07 0.51 -1.26 -1.87 118.94 115.40 1s64 s TRP 312 Ca 0.00 -0.80 -0.21 0.00 -2.12 0.00 0.00 56.10 52.98 1s64 s TRP 312 Cb 0.09 -0.64 -0.05 0.00 -0.81 0.00 0.00 33.47 32.06 1s64 s TRP 312 CO 0.81 0.04 1.24 -1.25 -0.51 0.00 0.00 176.95 177.28 1s64 s PRO 313 N -3.77 3.30 -1.47 4.98 0.04 -1.26 -2.94 135.00 133.89 1s64 s PRO 313 Ca 0.17 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1s64 s PRO 313 Cb 0.03 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1s64 s PRO 313 CO 0.00 -0.97 0.84 -0.25 0.04 0.00 0.00 177.00 176.66 1s64 n ASP 314 N -1.01 -5.81 -4.43 6.66 8.00 -1.26 -4.99 116.55 113.72 1s64 n ASP 314 Ca 0.10 -0.45 -0.21 0.00 0.71 0.00 0.00 54.79 54.94 1s64 n ASP 314 Cb 0.47 -4.65 -0.10 0.00 -0.02 0.00 0.00 41.12 36.82 1s64 n ASP 314 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1s64 s SER 315 N -2.99 2.95 0.14 -2.24 0.15 -1.15 -5.11 113.70 105.44 1s64 s SER 315 Ca 0.46 -1.12 -0.30 0.00 0.70 0.00 0.00 55.95 55.69 1s64 s SER 315 Cb -0.21 -0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 63.83 1s64 s SER 315 CO 0.57 -0.22 1.21 -1.00 1.20 0.00 0.00 173.24 175.00 1s64 s HIS 316 N -2.88 3.42 0.53 3.44 3.76 -1.26 -4.68 115.29 117.62 1s64 s HIS 316 Ca 0.28 1.35 -0.15 0.00 -0.15 0.00 0.00 55.06 56.39 1s64 s HIS 316 Cb 0.01 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.19 1s64 s HIS 316 CO 0.11 -1.31 0.97 -1.25 -0.85 0.00 0.00 174.74 172.42 1s64 s PRO 317 N 0.33 3.86 0.15 8.40 0.04 -1.26 -4.57 135.00 141.94 1s64 s PRO 317 Ca 0.56 0.86 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1s64 s PRO 317 Cb -0.32 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1s64 s PRO 317 CO 0.33 -0.31 0.23 0.16 0.04 0.00 0.00 177.00 177.45 1s64 s ASP 318 N -3.32 0.10 0.20 6.66 1.47 -1.10 -4.95 116.67 115.73 1s64 s ASP 318 Ca 0.57 -0.93 -0.11 0.00 1.18 0.00 0.00 52.55 53.27 1s64 s ASP 318 Cb -0.10 0.40 0.21 0.00 -0.34 0.00 0.00 42.92 43.09 1s64 s ASP 318 CO 0.36 -0.85 1.78 0.00 0.68 0.00 0.00 175.17 177.14 1s64 h ALA 319 N 2.63 0.75 0.09 2.11 0.00 -1.97 -1.23 119.26 121.64 1s64 h ALA 319 Ca -0.33 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1s64 h ALA 319 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s64 h ALA 319 CO 0.51 -0.10 -0.06 1.25 0.00 0.00 0.00 179.25 180.85 1s64 h LEU 320 N 0.51 -0.15 -1.04 0.00 6.46 -1.95 -0.57 115.31 118.57 1s64 h LEU 320 Ca 0.27 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1s64 h LEU 320 Cb 0.24 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1s64 h LEU 320 CO -0.22 -0.10 -0.27 0.45 -0.62 0.00 0.00 178.44 177.68 1s64 h HIS 321 N -0.15 0.00 -0.15 1.25 3.86 -1.76 -0.75 115.15 117.46 1s64 h HIS 321 Ca -0.01 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1s64 h HIS 321 Cb 0.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1s64 h HIS 321 CO -0.09 0.27 -0.14 0.00 0.86 0.00 0.00 177.93 178.84 1s64 h ALA 322 N 1.73 0.21 -0.01 2.45 0.00 -0.94 0.34 119.26 123.04 1s64 h ALA 322 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1s64 h ALA 322 Cb 0.80 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1s64 h ALA 322 CO 0.04 0.09 0.00 -0.92 0.00 0.00 0.00 179.25 178.46 1s64 h TYR 323 N -0.02 0.02 -0.02 0.00 3.20 -0.89 -2.02 116.97 117.24 1s64 h TYR 323 Ca 0.02 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1s64 h TYR 323 Cb 0.67 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1s64 h TYR 323 CO 0.08 0.28 -0.41 0.74 -1.64 0.00 0.00 178.16 177.21 1s64 h PHE 324 N -0.25 0.05 -0.54 -3.82 -1.00 -1.20 -0.44 116.94 109.74 1s64 h PHE 324 Ca 0.00 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1s64 h PHE 324 Cb 0.27 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1s64 h PHE 324 CO 0.02 0.45 0.06 0.78 -1.61 0.00 0.00 178.31 178.01 1s64 h GLY 325 N 1.25 0.98 1.02 -1.45 0.00 -0.84 0.13 103.07 104.16 1s64 h GLY 325 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1s64 h GLY 325 CO 0.06 0.62 -0.03 -2.22 0.00 0.00 0.00 176.54 174.97 1s64 h ILE 326 N 0.79 1.27 -0.17 2.60 2.04 -0.95 -1.42 117.51 121.67 1s64 h ILE 326 Ca 0.16 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 1s64 h ILE 326 Cb 0.44 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1s64 h ILE 326 CO 0.01 0.39 -0.19 0.00 0.00 0.00 0.00 178.15 178.36 1s64 h GLY 328 N 0.89 0.76 1.03 0.00 0.00 -0.35 -2.06 103.07 103.35 1s64 h GLY 328 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1s64 h GLY 328 CO 0.03 0.49 0.34 1.41 0.00 0.00 0.00 176.54 178.81 1s64 h LEU 329 N 0.56 1.01 -1.67 3.11 4.07 -0.77 -2.66 115.31 118.95 1s64 h LEU 329 Ca 0.12 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1s64 h LEU 329 Cb 0.41 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1s64 h LEU 329 CO 0.01 0.88 0.26 -1.28 -1.08 0.00 0.00 178.44 177.24 1s64 h SER 330 N 1.07 0.38 0.16 -0.43 0.87 -0.57 -1.83 113.55 113.21 1s64 h SER 330 Ca 0.26 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1s64 h SER 330 Cb 0.16 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1s64 h SER 330 CO -0.03 0.27 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.31 1s64 h LEU 331 N 0.44 0.00 -2.97 2.23 4.07 -1.01 -0.40 115.31 117.67 1s64 h LEU 331 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1s64 h LEU 331 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1s64 h LEU 331 CO -0.04 0.16 0.00 0.23 -1.08 0.00 0.00 178.44 177.71 1s64 n MET 332 N -4.33 3.68 -3.08 1.13 2.81 -0.70 -4.98 117.12 111.65 1s64 n MET 332 Ca -0.03 -2.70 -0.19 0.00 -1.81 0.00 0.00 57.70 52.98 1s64 n MET 332 Cb 0.22 -1.90 0.02 0.00 -0.71 0.00 0.00 33.22 30.85 1s64 n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1s64 n GLU 333 N 1.00 -2.23 -3.49 0.03 1.02 -0.16 -4.98 120.64 111.83 1s64 n GLU 333 Ca 0.24 1.89 -0.38 0.00 -0.02 0.00 0.00 57.16 58.89 1s64 n GLU 333 Cb 0.87 -4.38 -0.06 0.00 -0.02 0.00 0.00 31.44 27.85 1s64 n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1s64 s GLU 334 N -2.52 3.94 -0.17 3.49 2.56 -1.16 -5.00 118.70 119.84 1s64 s GLU 334 Ca 0.29 0.43 -0.32 0.00 0.00 0.00 0.00 54.97 55.37 1s64 s GLU 334 Cb -0.06 -3.23 -0.09 0.00 2.00 0.00 0.00 34.13 32.76 1s64 s GLU 334 CO 0.80 0.68 2.08 0.45 -0.56 0.00 0.00 175.26 178.71 1s64 n SER 335 N 1.86 3.23 0.00 -1.70 2.88 -1.26 -2.24 113.62 116.39 1s64 n SER 335 Ca -0.14 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1s64 n SER 335 Cb 0.52 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1s64 n SER 335 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s64 n GLY 336 N 5.34 0.90 3.01 0.46 0.00 -1.26 -5.06 105.19 108.57 1s64 n GLY 336 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1s64 n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s64 s ILE 337 N -2.02 1.30 0.94 -0.61 1.01 -0.95 -4.69 121.20 116.18 1s64 s ILE 337 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1s64 s ILE 337 Cb 0.00 -1.22 0.11 0.00 0.01 0.00 0.00 42.46 41.36 1s64 s ILE 337 CO 0.00 0.40 0.86 0.00 0.00 0.00 0.00 174.94 176.20 1s64 s LYS 339 N -4.25 4.39 0.01 0.00 2.20 -1.26 -4.82 119.74 116.01 1s64 s LYS 339 Ca 0.63 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1s64 s LYS 339 Cb -0.22 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1s64 s LYS 339 CO 0.62 0.03 0.08 0.54 -0.36 0.00 0.00 175.35 176.25 1s64 s VAL 340 N -1.43 4.66 -0.65 4.02 0.11 -1.26 -0.94 120.40 124.91 1s64 s VAL 340 Ca 0.52 -0.49 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 1s64 s VAL 340 Cb -0.26 -3.15 0.06 0.00 -1.53 0.00 0.00 36.38 31.49 1s64 s VAL 340 CO 0.33 0.30 1.01 -2.28 -3.33 0.00 0.00 175.10 171.14 1s64 s HIS 341 N -1.23 2.63 0.49 1.54 2.46 0.20 -4.75 115.29 116.63 1s64 s HIS 341 Ca 0.24 -0.37 0.27 0.00 0.47 0.00 0.00 55.06 55.67 1s64 s HIS 341 Cb -0.12 -4.31 1.35 0.00 -0.13 0.00 0.00 32.58 29.37 1s64 s HIS 341 CO 0.16 -1.67 1.86 -1.00 -2.47 0.00 0.00 174.74 171.62 1s64 h PRO 342 N 9.60 0.14 0.06 2.88 0.13 -1.92 0.83 132.00 143.71 1s64 h PRO 342 Ca -0.28 -0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.54 1s64 h PRO 342 Cb 1.07 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1s64 h PRO 342 CO 1.18 0.09 -1.63 0.00 -0.23 0.00 0.00 178.00 177.42 1s64 h ALA 343 N 1.56 0.53 0.00 -0.56 0.00 -1.91 -3.36 119.26 115.51 1s64 h ALA 343 Ca 0.47 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1s64 h ALA 343 Cb 1.60 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1s64 h ALA 343 CO -0.08 1.38 -0.91 -0.11 0.00 0.00 0.00 179.25 179.53 1s64 n LEU 344 N -3.27 0.63 -3.23 0.00 7.94 -1.04 -4.89 117.00 113.14 1s64 n LEU 344 Ca -0.17 0.03 -0.18 0.00 -1.11 0.00 0.00 56.01 54.58 1s64 n LEU 344 Cb 1.04 -0.12 0.08 0.00 0.53 0.00 0.00 43.42 44.94 1s64 n LEU 344 CO 0.46 0.03 0.14 -3.20 -1.11 0.00 0.00 177.39 173.72 1s64 n ASN 345 N -1.97 -3.43 -4.08 1.96 5.15 0.26 -5.02 115.26 108.13 1s64 n ASN 345 Ca 0.02 -0.53 -0.10 0.00 -0.60 0.00 0.00 54.58 53.37 1s64 n ASN 345 Cb 0.43 -4.65 -0.08 0.00 -0.53 0.00 0.00 39.78 34.95 1s64 n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1s64 s VAL 346 N -3.31 0.01 0.57 3.44 -7.23 -1.23 -4.98 120.40 107.67 1s64 s VAL 346 Ca 0.19 -1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 1s64 s VAL 346 Cb -0.08 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1s64 s VAL 346 CO 0.66 -0.05 1.11 -0.94 -0.31 0.00 0.00 175.10 175.57 1s64 s SER 347 N -3.07 5.64 0.41 4.85 1.04 -1.26 0.60 113.70 121.91 1s64 s SER 347 Ca 0.29 2.10 0.10 0.00 0.48 0.00 0.00 55.95 58.92 1s64 s SER 347 Cb 0.03 -2.57 0.93 0.00 0.10 0.00 0.00 66.02 64.51 1s64 s SER 347 CO 0.09 -1.27 2.00 0.71 0.98 0.00 0.00 173.24 175.75 1s64 h THR 348 N 0.93 0.98 -0.22 2.02 1.35 -1.33 0.02 112.91 116.65 1s64 h THR 348 Ca -0.49 -0.18 0.04 0.00 -0.55 0.00 0.00 66.41 65.24 1s64 h THR 348 Cb 1.25 0.41 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 1s64 h THR 348 CO 0.56 0.09 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.80 1s64 h ARG 349 N 0.52 0.02 -0.48 4.72 2.43 -1.91 0.31 114.38 119.98 1s64 h ARG 349 Ca 0.25 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1s64 h ARG 349 Cb 0.33 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1s64 h ARG 349 CO -0.07 0.01 -0.06 1.15 -1.51 0.00 0.00 179.97 179.48 1s64 h THR 350 N 0.02 1.26 -0.35 0.20 2.02 -1.42 -0.11 112.91 114.52 1s64 h THR 350 Ca 0.11 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 1s64 h THR 350 Cb 0.16 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1s64 h THR 350 CO -0.22 0.39 -0.22 0.77 0.37 0.00 0.00 175.52 176.61 1s64 h SER 351 N 0.77 0.81 -0.42 4.18 4.64 -0.61 -0.67 113.55 122.25 1s64 h SER 351 Ca 0.14 -0.43 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1s64 h SER 351 Cb 0.56 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1s64 h SER 351 CO 0.03 1.06 0.04 -0.33 -0.87 0.00 0.00 176.83 176.76 1s64 h GLU 352 N 0.56 0.80 -0.03 4.77 5.08 -0.26 0.17 114.58 125.67 1s64 h GLU 352 Ca 0.07 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1s64 h GLU 352 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1s64 h GLU 352 CO 0.06 0.78 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.44 1s64 h ARG 353 N 0.76 0.06 -0.02 2.33 1.12 -0.78 -1.61 114.38 116.23 1s64 h ARG 353 Ca 0.15 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.82 1s64 h ARG 353 Cb 0.40 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 1s64 h ARG 353 CO 0.01 0.37 -0.79 1.25 -3.11 0.00 0.00 179.97 177.71 1s64 h LEU 354 N 0.05 0.26 -0.02 3.80 5.85 0.37 -1.96 115.31 123.66 1s64 h LEU 354 Ca 0.01 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1s64 h LEU 354 Cb 0.59 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1s64 h LEU 354 CO 0.04 0.95 0.01 0.03 -0.34 0.00 0.00 178.44 179.13 1s64 h ARG 355 N 0.13 0.03 -0.53 1.25 -0.00 0.04 -1.94 114.38 113.35 1s64 h ARG 355 Ca -0.03 -0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.49 1s64 h ARG 355 Cb 1.38 -0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.30 1s64 h ARG 355 CO 0.12 0.17 0.28 -0.44 0.00 0.00 0.00 179.97 180.11 1s64 h ASP 356 N -0.13 0.42 -0.01 7.04 3.32 -1.28 -0.00 116.42 125.78 1s64 h ASP 356 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1s64 h ASP 356 Cb 0.16 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1s64 h ASP 356 CO -0.00 0.29 0.02 0.25 -1.72 0.00 0.00 179.24 178.08 1s64 h LEU 357 N 0.55 0.00 0.14 1.55 6.46 -1.12 -0.67 115.31 122.22 1s64 h LEU 357 Ca 0.23 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.70 1s64 h LEU 357 Cb 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1s64 h LEU 357 CO -0.15 0.00 -1.37 0.45 -0.62 0.00 0.00 178.44 176.75 1s64 h HIS 358 N 0.00 0.53 0.79 1.25 3.86 -0.22 -3.24 115.15 118.11 1s64 h HIS 358 Ca 0.01 -0.38 -0.04 0.00 -1.16 0.00 0.00 60.37 58.79 1s64 h HIS 358 Cb 0.05 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1s64 h HIS 358 CO 0.00 1.35 -0.41 1.96 0.86 0.00 0.00 177.93 181.68 1s64 h GLN 359 N 0.08 -1.06 0.00 2.45 1.08 -0.41 -2.03 115.11 115.22 1s64 h GLN 359 Ca -0.19 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1s64 h GLN 359 Cb 2.01 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 29.68 1s64 h GLN 359 CO 0.20 -0.71 0.24 -1.13 -0.95 0.00 0.00 178.83 176.47 1s64 n SER 360 N -5.08 0.22 -0.02 1.46 3.41 -0.89 0.65 113.62 113.39 1s64 n SER 360 Ca -0.14 0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1s64 n SER 360 Cb 0.44 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1s64 n SER 360 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1s64 n TRP 361 N -1.79 1.04 -1.33 7.33 8.01 -0.82 -4.46 117.44 125.43 1s64 n TRP 361 Ca -0.01 0.34 -0.38 0.00 -1.31 0.00 0.00 57.50 56.15 1s64 n TRP 361 Cb 0.25 -1.18 -0.02 0.00 -2.01 0.00 0.00 31.31 28.35 1s64 n TRP 361 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1s64 n LYS 362 N -3.13 2.92 0.00 -0.99 4.01 0.21 -5.12 118.16 116.07 1s64 n LYS 362 Ca -0.20 -2.16 0.00 0.00 -0.51 0.00 0.00 58.31 55.44 1s64 n LYS 362 Cb 1.05 -2.91 0.00 0.00 -0.51 0.00 0.00 35.03 32.67 1s64 n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54