#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 5.28 -0.59 -1.43 3.84 -1.26 -5.05 116.67 117.46 1s64 s ASP 19 Ca 0.00 -0.22 -0.28 0.00 -0.00 0.00 0.00 52.55 52.05 1s64 s ASP 19 Cb 0.00 -1.30 0.03 0.00 -1.38 0.00 0.00 42.92 40.27 1s64 s ASP 19 CO 0.00 0.07 1.19 0.12 -0.00 0.00 0.00 175.17 176.55 1s64 s PHE 20 N -1.77 2.58 -1.08 2.11 5.36 -1.26 -4.93 117.98 119.00 1s64 s PHE 20 Ca 0.30 0.35 -0.13 0.00 -0.96 0.00 0.00 56.93 56.49 1s64 s PHE 20 Cb -0.10 -4.51 -0.08 0.00 -0.34 0.00 0.00 43.02 38.00 1s64 s PHE 20 CO 0.22 -1.62 2.20 1.28 -1.46 0.00 0.00 175.22 175.84 1s64 n LEU 21 N 8.48 5.60 -0.21 6.12 4.32 -1.26 -4.78 117.00 135.28 1s64 n LEU 21 Ca 0.08 -3.35 -0.03 0.00 -0.02 0.00 0.00 56.01 52.69 1s64 n LEU 21 Cb 0.49 -1.27 0.04 0.00 -1.62 0.00 0.00 43.42 41.05 1s64 n LEU 21 CO 0.71 0.61 0.69 -0.09 -1.22 0.00 0.00 177.39 178.09 1s64 h ARG 22 N 6.57 -0.08 -0.48 3.23 2.43 -1.97 -1.94 114.38 122.15 1s64 h ARG 22 Ca 0.54 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.75 1s64 h ARG 22 Cb 0.43 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1s64 h ARG 22 CO 1.75 -0.05 0.27 -0.44 -1.51 0.00 0.00 179.97 179.99 1s64 h ASP 23 N -0.08 0.43 -0.66 -3.80 3.32 -2.00 -1.10 116.42 112.53 1s64 h ASP 23 Ca 0.27 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.39 1s64 h ASP 23 Cb 0.51 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1s64 h ASP 23 CO -0.67 0.31 0.44 -0.09 -1.72 0.00 0.00 179.24 177.51 1s64 h ARG 24 N 0.55 0.67 -0.02 3.56 2.43 -1.78 -0.68 114.38 119.11 1s64 h ARG 24 Ca 0.20 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 1s64 h ARG 24 Cb 0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1s64 h ARG 24 CO -0.10 0.45 -0.73 0.45 -1.51 0.00 0.00 179.97 178.52 1s64 h HIS 25 N 0.69 0.21 -0.43 2.20 3.86 -0.76 -1.62 115.15 119.29 1s64 h HIS 25 Ca 0.28 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1s64 h HIS 25 Cb 0.23 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1s64 h HIS 25 CO -0.00 0.83 0.13 0.28 0.86 0.00 0.00 177.93 180.02 1s64 h VAL 26 N 0.10 1.22 -0.51 2.45 2.07 0.07 -1.71 116.25 119.95 1s64 h VAL 26 Ca -0.02 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1s64 h VAL 26 Cb 1.29 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1s64 h VAL 26 CO 0.11 0.27 0.20 0.03 0.02 0.00 0.00 177.57 178.19 1s64 h ARG 27 N 0.56 0.76 -0.65 1.57 3.08 -1.20 -1.60 114.38 116.90 1s64 h ARG 27 Ca 0.14 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1s64 h ARG 27 Cb 0.28 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1s64 h ARG 27 CO -0.00 0.68 0.32 0.35 -1.07 0.00 0.00 179.97 180.24 1s64 h PHE 28 N 0.68 0.57 -0.18 3.04 3.57 -1.04 0.03 116.94 123.61 1s64 h PHE 28 Ca 0.17 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 1s64 h PHE 28 Cb 0.21 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1s64 h PHE 28 CO 0.01 0.22 -0.45 0.74 -2.23 0.00 0.00 178.31 176.59 1s64 h PHE 29 N 0.56 0.53 -0.64 0.41 0.05 -1.05 -2.49 116.94 114.30 1s64 h PHE 29 Ca 0.31 -0.16 -0.04 0.00 3.82 0.00 0.00 57.97 61.90 1s64 h PHE 29 Cb 0.30 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 1s64 h PHE 29 CO -0.11 0.82 0.23 1.96 -0.18 0.00 0.00 178.31 181.02 1s64 h GLN 30 N 0.35 0.97 0.00 1.51 4.20 -0.35 -2.28 115.11 119.52 1s64 h GLN 30 Ca 0.02 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1s64 h GLN 30 Cb 0.94 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1s64 h GLN 30 CO 0.08 0.83 -0.23 0.00 -0.67 0.00 0.00 178.83 178.85 1s64 h ARG 31 N 0.91 0.00 -0.27 1.46 3.08 -0.85 -2.43 114.38 116.28 1s64 h ARG 31 Ca 0.21 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 1s64 h ARG 31 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1s64 h ARG 31 CO -0.01 0.23 -0.25 0.00 -1.07 0.00 0.00 179.97 178.86 1s64 n LEU 33 N -4.12 0.00 0.00 0.00 7.99 -0.93 -4.75 117.00 115.20 1s64 n LEU 33 Ca -0.00 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.49 1s64 n LEU 33 Cb 0.41 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 1s64 n LEU 33 CO 0.42 -0.06 0.00 0.00 -1.51 0.00 0.00 177.39 176.25 1s64 n GLN 34 N -1.49 0.00 -4.98 3.23 6.02 -1.01 -5.08 117.38 114.07 1s64 n GLN 34 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 1s64 n GLN 34 Cb 0.30 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.42 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 1.99 2.79 0.10 5.09 1.01 -1.26 -5.11 120.40 125.01 1s64 s VAL 35 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1s64 s VAL 35 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1s64 s VAL 35 CO 0.00 0.58 -0.19 -0.76 0.00 0.00 0.00 175.10 174.72 1s64 s LEU 36 N -0.45 2.62 0.70 3.92 1.43 -1.26 -4.98 118.68 120.67 1s64 s LEU 36 Ca 0.05 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 1s64 s LEU 36 Cb -0.12 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1s64 s LEU 36 CO 0.02 0.20 1.15 -2.84 0.23 0.00 0.00 176.35 175.11 1s64 s PRO 37 N -1.93 2.42 0.62 1.29 0.02 -1.26 -4.88 135.00 131.28 1s64 s PRO 37 Ca 0.17 1.55 0.29 0.00 0.02 0.00 0.00 61.00 63.02 1s64 s PRO 37 Cb -0.10 -1.89 1.58 0.00 0.02 0.00 0.00 34.50 34.11 1s64 s PRO 37 CO 0.08 -1.57 1.88 1.05 -0.33 0.00 0.00 177.00 178.11 1s64 h GLU 38 N -0.22 0.00 0.00 5.54 9.09 -2.03 -1.02 114.58 125.94 1s64 h GLU 38 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1s64 h GLU 38 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1s64 h GLU 38 CO 0.52 0.00 0.00 2.89 0.05 0.00 0.00 179.01 182.47 1s64 n ARG 39 N -2.79 0.15 -0.42 1.06 1.85 -1.26 -1.77 116.66 113.48 1s64 n ARG 39 Ca -0.02 0.18 0.08 0.00 -1.00 0.00 0.00 57.85 57.09 1s64 n ARG 39 Cb 0.34 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.50 1s64 n ARG 39 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1s64 n TYR 40 N -1.27 0.95 -0.29 2.89 4.02 -0.39 -4.72 117.16 118.36 1s64 n TYR 40 Ca 0.05 -0.76 0.23 0.00 -0.01 0.00 0.00 57.90 57.41 1s64 n TYR 40 Cb 0.07 -0.26 0.55 0.00 -0.02 0.00 0.00 39.34 39.69 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 2.16 0.36 0.17 7.72 4.64 -1.55 -0.62 113.55 126.42 1s64 h SER 41 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1s64 h SER 41 Cb 1.31 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1s64 h SER 41 CO 0.19 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 174.71 1s64 n SER 42 N -4.52 0.00 -0.23 4.97 3.41 -1.26 -1.53 113.62 114.46 1s64 n SER 42 Ca 0.23 0.05 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1s64 n SER 42 Cb 0.86 -0.24 0.18 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.24 1.19 -0.21 1.04 4.77 -0.24 -4.54 117.00 117.78 1s64 n LEU 43 Ca 0.06 -0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 55.59 1s64 n LEU 43 Cb 0.08 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1s64 n LEU 43 CO 0.08 0.24 0.60 -0.08 -1.33 0.00 0.00 177.39 176.90 1s64 h GLU 44 N 1.14 -0.18 0.00 3.23 4.57 -1.44 -0.11 114.58 121.78 1s64 h GLU 44 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1s64 h GLU 44 Cb 0.57 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1s64 h GLU 44 CO 0.00 -0.12 0.00 0.25 -1.18 0.00 0.00 179.01 177.96 1s64 n THR 45 N -5.42 0.00 -2.59 0.32 -2.24 -1.26 -3.12 114.28 99.97 1s64 n THR 45 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1s64 n THR 45 Cb 0.35 -0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.66 1.02 0.19 3.42 3.41 -0.13 -4.14 113.62 116.73 1s64 n SER 46 Ca 0.06 -2.01 0.05 0.00 -0.26 0.00 0.00 58.87 56.70 1s64 n SER 46 Cb 0.03 -0.30 0.48 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.47 0.07 -0.41 4.33 3.08 -1.21 -2.35 114.38 119.36 1s64 h ARG 47 Ca -0.22 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 1s64 h ARG 47 Cb 1.66 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.67 1s64 h ARG 47 CO 0.10 0.23 0.07 1.25 -1.07 0.00 0.00 179.97 180.54 1s64 h LEU 48 N 0.07 0.58 -0.56 3.04 5.85 -1.58 -0.44 115.31 122.27 1s64 h LEU 48 Ca 0.01 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1s64 h LEU 48 Cb 0.32 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1s64 h LEU 48 CO 0.02 0.61 -0.46 0.71 -0.34 0.00 0.00 178.44 178.97 1s64 h THR 49 N 0.60 0.94 -0.23 1.05 1.35 -1.72 -1.23 112.91 113.67 1s64 h THR 49 Ca 0.13 -1.89 -0.19 0.00 -0.55 0.00 0.00 66.41 63.92 1s64 h THR 49 Cb 0.28 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1s64 h THR 49 CO 0.00 0.45 -0.60 0.40 -0.25 0.00 0.00 175.52 175.53 1s64 h ILE 50 N 0.00 1.29 -0.82 6.82 1.08 -1.23 -1.80 117.51 122.86 1s64 h ILE 50 Ca -0.00 -1.81 -0.03 0.00 -0.39 0.00 0.00 64.86 62.62 1s64 h ILE 50 Cb 1.12 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.58 1s64 h ILE 50 CO 0.06 0.58 0.39 0.00 -0.69 0.00 0.00 178.15 178.48 1s64 h ALA 51 N 0.76 1.06 -0.09 1.87 0.00 -0.86 -1.95 119.26 120.04 1s64 h ALA 51 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1s64 h ALA 51 Cb 1.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1s64 h ALA 51 CO 0.12 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.39 1s64 h PHE 52 N 1.17 0.07 -0.98 0.00 3.57 -0.96 0.45 116.94 120.26 1s64 h PHE 52 Ca 0.28 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1s64 h PHE 52 Cb 0.13 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 1s64 h PHE 52 CO 0.01 0.04 0.64 0.74 -2.23 0.00 0.00 178.31 177.51 1s64 h PHE 53 N 0.09 1.20 -0.03 0.41 0.05 -1.05 0.71 116.94 118.31 1s64 h PHE 53 Ca 0.04 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.83 1s64 h PHE 53 Cb 0.01 -0.40 0.00 0.00 2.00 0.00 0.00 35.95 37.56 1s64 h PHE 53 CO -0.09 0.70 -0.08 0.00 -0.18 0.00 0.00 178.31 178.66 1s64 h ALA 54 N 1.42 0.06 0.15 2.45 0.00 -0.86 -0.52 119.26 121.97 1s64 h ALA 54 Ca 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1s64 h ALA 54 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s64 h ALA 54 CO -0.11 -0.08 -0.07 -0.07 0.00 0.00 0.00 179.25 178.91 1s64 h LEU 55 N -0.43 -0.18 -1.78 0.00 3.38 0.01 0.48 115.31 116.79 1s64 h LEU 55 Ca -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1s64 h LEU 55 Cb 0.68 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1s64 h LEU 55 CO 0.02 0.17 -0.16 -1.28 0.09 0.00 0.00 178.44 177.29 1s64 h SER 56 N -0.55 0.00 -0.24 -0.43 0.87 -0.99 0.12 113.55 112.33 1s64 h SER 56 Ca -0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 1s64 h SER 56 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1s64 h SER 56 CO 0.03 0.16 -0.49 1.23 -0.53 0.00 0.00 176.83 177.24 1s64 h GLY 57 N 0.68 0.83 1.65 5.77 0.00 -0.85 -1.15 103.07 110.01 1s64 h GLY 57 Ca -0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 1s64 h GLY 57 CO 0.02 0.88 -0.40 1.41 0.00 0.00 0.00 176.54 178.45 1s64 h LEU 58 N 0.50 0.41 -0.38 3.11 3.38 -0.18 -2.24 115.31 119.92 1s64 h LEU 58 Ca 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1s64 h LEU 58 Cb 1.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1s64 h LEU 58 CO 0.11 0.78 0.09 -0.78 0.09 0.00 0.00 178.44 178.73 1s64 h ASP 59 N 0.33 0.57 0.12 -0.43 -0.00 -0.91 0.34 116.42 116.44 1s64 h ASP 59 Ca 0.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.03 56.81 1s64 h ASP 59 Cb 0.85 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 40.03 1s64 h ASP 59 CO 0.07 0.66 -0.09 -0.03 -0.00 0.00 0.00 179.24 179.85 1s64 h MET 60 N 0.46 0.00 -0.63 0.28 4.05 -0.96 0.68 114.93 118.81 1s64 h MET 60 Ca 0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1s64 h MET 60 Cb 0.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1s64 h MET 60 CO 0.00 0.09 0.00 1.28 0.23 0.00 0.00 176.91 178.51 1s64 n LEU 61 N -4.22 3.66 -3.75 3.39 4.77 -0.86 -0.42 117.00 119.56 1s64 n LEU 61 Ca -0.03 -1.78 -0.23 0.00 -0.03 0.00 0.00 56.01 53.94 1s64 n LEU 61 Cb 0.17 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1s64 n LEU 61 CO 0.33 0.89 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.50 1s64 n ASP 62 N 1.52 -1.52 -0.96 -1.43 2.03 0.23 -4.91 116.55 111.50 1s64 n ASP 62 Ca 0.23 -0.89 0.04 0.00 0.52 0.00 0.00 54.79 54.69 1s64 n ASP 62 Cb 0.59 -3.77 0.07 0.00 -0.72 0.00 0.00 41.12 37.29 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 -3.01 1.07 0.19 1.67 7.64 0.10 -4.84 113.62 116.45 1s64 n SER 63 Ca -0.28 -2.52 0.14 0.00 1.01 0.00 0.00 58.87 57.23 1s64 n SER 63 Cb 0.67 -0.34 0.68 0.00 -1.01 0.00 0.00 64.21 64.21 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 0.70 0.00 -0.07 -3.43 3.38 -1.90 -2.59 115.31 111.40 1s64 h LEU 64 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1s64 h LEU 64 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1s64 h LEU 64 CO 0.05 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.68 1s64 n ASP 65 N -2.46 0.06 -0.22 -0.43 5.75 -1.26 -2.66 116.55 115.34 1s64 n ASP 65 Ca -0.01 0.52 0.08 0.00 -0.01 0.00 0.00 54.79 55.37 1s64 n ASP 65 Cb 0.11 -0.53 0.37 0.00 -1.03 0.00 0.00 41.12 40.04 1s64 n ASP 65 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1s64 n VAL 66 N -1.57 0.10 -4.22 2.12 0.24 -0.98 -4.83 118.33 109.20 1s64 n VAL 66 Ca 0.03 -0.14 -0.17 0.00 -2.04 0.00 0.00 64.34 62.02 1s64 n VAL 66 Cb 0.17 -0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.90 1.23 -0.82 3.34 -7.23 -1.09 -5.08 120.40 108.86 1s64 s VAL 67 Ca 0.24 -1.65 -0.23 0.00 -1.81 0.00 0.00 61.98 58.53 1s64 s VAL 67 Cb 0.12 -1.44 0.07 0.00 0.56 0.00 0.00 36.38 35.69 1s64 s VAL 67 CO 0.19 -0.42 1.19 0.21 -0.31 0.00 0.00 175.10 175.95 1s64 s ASN 68 N -2.36 6.34 0.41 4.85 3.84 -1.26 -4.86 114.94 121.89 1s64 s ASN 68 Ca 0.07 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.11 1s64 s ASN 68 Cb -0.05 -2.49 0.99 0.00 -0.55 0.00 0.00 41.25 39.16 1s64 s ASN 68 CO 0.02 -1.48 1.89 0.11 -2.79 0.00 0.00 177.10 174.85 1s64 h LYS 69 N 9.59 0.48 -0.30 0.43 1.57 -1.93 -2.27 116.57 124.14 1s64 h LYS 69 Ca -0.09 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1s64 h LYS 69 Cb 1.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1s64 h LYS 69 CO 1.25 0.31 0.01 -0.44 -0.57 0.00 0.00 179.45 180.01 1s64 h ASP 70 N 0.49 0.51 -0.23 0.86 3.32 -1.92 -1.26 116.42 118.19 1s64 h ASP 70 Ca 0.41 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1s64 h ASP 70 Cb 0.87 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1s64 h ASP 70 CO -0.15 0.68 0.11 0.44 -1.72 0.00 0.00 179.24 178.60 1s64 h ASP 71 N 0.32 0.30 -0.63 6.45 3.32 -1.84 -2.67 116.42 121.67 1s64 h ASP 71 Ca 0.09 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1s64 h ASP 71 Cb 0.41 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1s64 h ASP 71 CO 0.01 0.34 0.25 0.40 -1.72 0.00 0.00 179.24 178.52 1s64 h ILE 72 N 0.25 1.23 -0.76 0.35 2.04 -1.45 -1.79 117.51 117.38 1s64 h ILE 72 Ca 0.08 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1s64 h ILE 72 Cb 0.12 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1s64 h ILE 72 CO -0.01 0.30 0.42 0.40 0.00 0.00 0.00 178.15 179.26 1s64 h ILE 73 N 0.96 1.22 -0.40 -0.67 2.04 -1.06 -0.28 117.51 119.33 1s64 h ILE 73 Ca 0.22 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1s64 h ILE 73 Cb 0.21 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1s64 h ILE 73 CO -0.02 0.24 -0.27 -0.33 0.00 0.00 0.00 178.15 177.78 1s64 h GLU 74 N 1.05 0.89 -0.51 2.37 4.39 -1.09 -1.70 114.58 119.99 1s64 h GLU 74 Ca 0.27 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1s64 h GLU 74 Cb 0.01 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1s64 h GLU 74 CO -0.05 1.07 0.33 2.35 -1.16 0.00 0.00 179.01 181.55 1s64 h TRP 75 N 0.70 0.65 -0.47 4.33 7.01 -0.79 -1.27 115.95 126.11 1s64 h TRP 75 Ca 0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1s64 h TRP 75 Cb 0.84 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 1s64 h TRP 75 CO 0.06 0.42 0.24 0.82 -2.79 0.00 0.00 178.44 177.20 1s64 h ILE 76 N 0.68 1.17 0.00 2.65 2.04 -0.95 -2.09 117.51 121.01 1s64 h ILE 76 Ca 0.18 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1s64 h ILE 76 Cb -0.05 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1s64 h ILE 76 CO -0.04 0.19 -0.08 1.88 0.00 0.00 0.00 178.15 180.10 1s64 h TYR 77 N 0.62 0.00 0.00 1.37 0.05 -0.93 -0.11 116.97 117.97 1s64 h TYR 77 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1s64 h TYR 77 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1s64 h TYR 77 CO -0.01 0.08 0.00 -1.13 -1.05 0.00 0.00 178.16 176.05 1s64 n SER 78 N -3.48 0.19 -0.36 3.88 3.41 -0.51 -2.43 113.62 114.31 1s64 n SER 78 Ca -0.02 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1s64 n SER 78 Cb 0.22 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.70 1.49 -4.71 1.04 4.77 -0.06 -4.64 117.00 113.20 1s64 n LEU 79 Ca 0.04 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1s64 n LEU 79 Cb 0.25 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1s64 n LEU 79 CO 0.20 0.28 0.75 -1.58 -1.33 0.00 0.00 177.39 175.71 1s64 s GLN 80 N -2.50 4.51 -0.58 3.23 0.74 -1.02 0.08 119.66 124.13 1s64 s GLN 80 Ca 0.21 1.54 -0.23 0.00 0.05 0.00 0.00 55.36 56.93 1s64 s GLN 80 Cb 0.19 -3.43 0.05 0.00 1.10 0.00 0.00 33.01 30.92 1s64 s GLN 80 CO 0.55 -0.13 0.91 0.08 -0.55 0.00 0.00 175.29 176.15 1s64 s VAL 81 N 1.06 4.43 0.33 1.34 1.01 0.65 -4.90 120.40 124.32 1s64 s VAL 81 Ca 0.54 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1s64 s VAL 81 Cb -0.24 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 1s64 s VAL 81 CO 0.28 -1.18 0.62 -0.76 0.00 0.00 0.00 175.10 174.06 1s64 s LEU 82 N 3.82 3.97 0.40 3.92 1.43 -1.26 -3.14 118.68 127.82 1s64 s LEU 82 Ca 0.26 0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 53.90 1s64 s LEU 82 Cb -0.15 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 1s64 s LEU 82 CO 0.15 -0.28 1.18 -2.16 0.23 0.00 0.00 176.35 175.48 1s64 s PRO 83 N -3.77 4.04 0.92 1.29 0.04 -1.26 -4.45 135.00 131.80 1s64 s PRO 83 Ca 0.45 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1s64 s PRO 83 Cb -0.10 -2.68 0.14 0.00 0.04 0.00 0.00 34.50 31.90 1s64 s PRO 83 CO 0.32 -0.34 1.11 0.95 0.04 0.00 0.00 177.00 179.08 1s64 s THR 84 N -1.40 2.24 0.21 1.26 -4.23 -1.26 -3.16 115.64 109.30 1s64 s THR 84 Ca 0.57 0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 61.02 1s64 s THR 84 Cb -0.31 -2.72 0.23 0.00 1.34 0.00 0.00 72.50 71.04 1s64 s THR 84 CO 0.40 -0.10 1.62 1.05 -0.54 0.00 0.00 174.62 177.04 1s64 h GLU 85 N -1.57 -0.03 -0.00 3.99 9.09 -1.96 0.40 114.58 124.50 1s64 h GLU 85 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1s64 h GLU 85 Cb 1.32 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 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 -5.44 0.02 -4.39 3.06 3.85 -1.26 -4.90 116.55 107.49 1s64 n ASP 86 Ca 0.07 -1.75 -0.38 0.00 -0.71 0.00 0.00 54.79 52.03 1s64 n ASP 86 Cb 0.34 -0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.61 -1.58 -0.31 0.11 1.74 0.14 -4.82 116.66 111.32 1s64 n ARG 87 Ca 0.06 0.21 0.10 0.00 -0.77 0.00 0.00 57.85 57.45 1s64 n ARG 87 Cb 0.03 -4.62 0.27 0.00 -1.02 0.00 0.00 32.46 27.12 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 -2.62 3.29 -0.86 0.55 3.41 -1.26 -4.19 113.62 111.94 1s64 n SER 88 Ca 0.01 -1.99 0.05 0.00 -0.26 0.00 0.00 58.87 56.67 1s64 n SER 88 Cb 0.52 -0.40 0.13 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.30 1.42 -0.29 4.04 6.94 -1.26 -4.84 115.26 122.57 1s64 n ASN 89 Ca 0.21 -3.07 -0.02 0.00 -0.02 0.00 0.00 54.58 51.68 1s64 n ASN 89 Cb 0.52 -0.42 0.11 0.00 -2.36 0.00 0.00 39.78 37.62 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 0.85 0.82 0.00 -4.53 3.38 -1.95 -1.57 115.31 112.32 1s64 h LEU 90 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s64 h LEU 90 Cb 1.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1s64 h LEU 90 CO 0.03 0.56 0.00 0.47 0.09 0.00 0.00 178.44 179.59 1s64 n ASP 91 N -4.61 0.00 -0.01 -0.43 9.92 -1.26 -1.96 116.55 118.20 1s64 n ASP 91 Ca 0.10 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1s64 n ASP 91 Cb 0.11 -0.17 0.01 0.00 -0.64 0.00 0.00 41.12 40.43 1s64 n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1s64 n ARG 92 N -1.17 2.56 -2.28 -1.24 1.74 -0.59 -4.61 116.66 111.08 1s64 n ARG 92 Ca 0.02 -1.42 -0.31 0.00 -0.77 0.00 0.00 57.85 55.37 1s64 n ARG 92 Cb 0.02 -0.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.10 -0.01 3.23 0.00 0.00 -1.19 -4.39 105.19 100.73 1s64 n GLY 94 Ca 0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.63 1.53 0.38 1.61 0.40 -1.26 -0.26 117.98 116.76 1s64 s PHE 95 Ca 0.00 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1s64 s PHE 95 Cb 0.00 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1s64 s PHE 95 CO 0.00 0.13 0.61 1.03 0.70 0.00 0.00 175.22 177.69 1s64 s ARG 96 N -1.74 3.51 0.31 0.44 0.52 0.11 -0.99 118.95 121.12 1s64 s ARG 96 Ca 0.03 -0.16 0.16 0.00 -0.52 0.00 0.00 55.73 55.25 1s64 s ARG 96 Cb -0.10 -2.58 0.23 0.00 0.52 0.00 0.00 34.95 33.02 1s64 s ARG 96 CO 0.03 0.06 1.52 0.78 0.02 0.00 0.00 175.30 177.71 1s64 h GLY 97 N 0.69 0.00 -0.42 -3.53 0.00 -1.89 -3.46 103.07 94.46 1s64 h GLY 97 Ca -0.49 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.90 1s64 h GLY 97 CO 0.62 0.00 0.19 -1.14 0.00 0.00 0.00 176.54 176.21 1s64 n SER 98 N -3.28 -0.44 -1.96 0.19 3.41 -1.26 -1.46 113.62 108.82 1s64 n SER 98 Ca 0.02 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.31 1s64 n SER 98 Cb 0.68 0.70 0.23 0.00 -0.26 0.00 0.00 64.21 65.55 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 -0.67 4.19 0.17 4.04 3.41 -1.26 -4.65 113.62 118.85 1s64 n SER 99 Ca -0.00 -3.20 0.10 0.00 -0.26 0.00 0.00 58.87 55.50 1s64 n SER 99 Cb 0.16 -0.75 0.54 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.79 0.00 0.00 7.33 -0.00 -1.96 -1.63 116.97 122.51 1s64 h TYR 100 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.10 1s64 h TYR 100 Cb 2.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 39.09 1s64 h TYR 100 CO 1.25 0.00 -0.12 1.28 -0.00 0.00 0.00 178.16 180.57 1s64 n LEU 101 N -2.23 0.73 0.00 0.10 4.77 -1.26 -4.93 117.00 114.17 1s64 n LEU 101 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1s64 n LEU 101 Cb 0.14 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1s64 n LEU 101 CO 0.09 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1s64 n GLY 102 N 1.33 0.63 3.73 -0.72 0.00 -0.61 -5.03 105.19 104.52 1s64 n GLY 102 Ca 0.05 -0.38 -0.42 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 3.61 0.15 -0.61 1.01 -1.26 -4.94 121.20 117.16 1s64 s ILE 103 Ca 0.00 1.27 -0.34 0.00 0.00 0.00 0.00 60.65 61.57 1s64 s ILE 103 Cb 0.00 -3.81 -0.14 0.00 0.01 0.00 0.00 42.46 38.52 1s64 s ILE 103 CO 0.00 0.16 1.53 -0.81 0.00 0.00 0.00 174.94 175.82 1s64 n PRO 104 N 3.08 1.97 -1.69 2.79 -0.04 -1.26 -4.84 135.00 135.01 1s64 n PRO 104 Ca 0.07 0.71 -0.60 0.00 -0.04 0.00 0.00 63.50 63.64 1s64 n PRO 104 Cb 0.45 -2.46 -0.08 0.00 -0.04 0.00 0.00 33.50 31.37 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 3.25 1.77 -3.30 0.54 7.35 -1.26 -4.95 117.46 120.85 1s64 n PHE 105 Ca 0.17 0.76 -0.09 0.00 -0.76 0.00 0.00 57.45 57.53 1s64 n PHE 105 Cb 0.27 -2.35 -0.06 0.00 0.35 0.00 0.00 39.48 37.70 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 2.64 0.37 -0.55 -2.13 2.47 -1.26 -5.05 114.94 111.43 1s64 s ASN 106 Ca 0.98 -0.55 -0.04 0.00 0.42 0.00 0.00 52.86 53.66 1s64 s ASN 106 Cb -1.19 1.09 -0.06 0.00 -1.45 0.00 0.00 41.25 39.65 1s64 s ASN 106 CO 0.67 -0.33 1.85 -0.81 -3.72 0.00 0.00 177.10 174.75 1s64 n PRO 107 N 5.17 1.44 -3.88 0.43 -0.04 -1.26 -4.06 135.00 132.80 1s64 n PRO 107 Ca 0.02 -1.05 -0.27 0.00 -0.04 0.00 0.00 63.50 62.16 1s64 n PRO 107 Cb 0.49 -2.20 0.02 0.00 -0.04 0.00 0.00 33.50 31.77 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 4.02 -2.77 0.00 3.54 7.64 -1.16 -4.73 113.62 120.16 1s64 n SER 108 Ca 0.31 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1s64 n SER 108 Cb 0.17 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 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 -4.48 0.00 -1.18 1.43 5.02 -1.26 -5.03 118.16 112.66 1s64 n LYS 109 Ca -0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.87 1s64 n LYS 109 Cb 0.60 -0.04 0.24 0.00 -0.02 0.00 0.00 35.03 35.80 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 -1.21 1.06 0.60 4.39 6.03 -1.26 -5.04 114.94 119.51 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 -0.73 0.00 0.00 -3.03 0.00 0.00 41.25 37.49 1s64 s ASN 110 CO 0.00 -4.03 0.00 0.09 -2.03 0.00 0.00 177.10 171.13 1s64 n PRO 111 N -4.68 -0.51 -3.50 3.55 -0.07 -1.26 -4.98 135.00 123.56 1s64 n PRO 111 Ca 0.14 0.00 -0.37 0.00 -0.07 0.00 0.00 63.50 63.20 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 2.17 -0.63 1.68 0.00 -1.19 -4.98 107.32 102.63 1s64 s GLY 112 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 44.72 43.95 1s64 s GLY 112 CO 0.00 0.55 1.35 -0.51 0.00 0.00 0.00 173.10 174.49 1s64 s THR 113 N 0.76 3.78 0.20 0.90 -4.23 -1.26 -4.50 115.64 111.28 1s64 s THR 113 Ca 0.17 0.60 -0.32 0.00 -1.18 0.00 0.00 61.69 60.96 1s64 s THR 113 Cb -0.14 -4.63 -0.15 0.00 1.34 0.00 0.00 72.50 68.93 1s64 s THR 113 CO 0.05 -1.42 1.17 0.00 -0.54 0.00 0.00 174.62 173.89 1s64 n ALA 114 N 9.49 -0.46 -3.69 3.99 0.00 -1.26 -5.00 120.51 123.57 1s64 n ALA 114 Ca 0.09 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1s64 n ALA 114 Cb 0.49 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.29 -0.65 0.51 0.00 5.04 -1.26 -5.06 115.29 113.58 1s64 s HIS 115 Ca 0.71 1.37 0.30 0.00 -1.54 0.00 0.00 55.06 55.89 1s64 s HIS 115 Cb -0.81 0.30 1.41 0.00 0.04 0.00 0.00 32.58 33.53 1s64 s HIS 115 CO 0.53 -0.36 1.86 -1.35 -2.34 0.00 0.00 174.74 173.07 1s64 h PRO 116 N 7.12 0.09 0.00 2.88 0.11 -2.05 -2.99 132.00 137.16 1s64 h PRO 116 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1s64 h PRO 116 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s64 h PRO 116 CO 0.28 0.06 -0.08 0.66 -0.21 0.00 0.00 178.00 178.71 1s64 n TYR 117 N -4.32 0.00 -3.27 0.65 4.01 -1.26 -5.02 117.16 107.95 1s64 n TYR 117 Ca 0.21 -0.57 -0.40 0.00 -0.16 0.00 0.00 57.90 56.98 1s64 n TYR 117 Cb 0.98 -0.09 -0.08 0.00 -0.31 0.00 0.00 39.34 39.85 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 -1.66 6.43 0.25 7.72 2.15 -1.13 -5.03 116.67 125.41 1s64 s ASP 118 Ca 0.13 0.52 -0.19 0.00 0.43 0.00 0.00 52.55 53.44 1s64 s ASP 118 Cb 0.12 -2.27 0.02 0.00 -0.30 0.00 0.00 42.92 40.49 1s64 s ASP 118 CO 0.01 -0.24 0.64 -0.94 -0.17 0.00 0.00 175.17 174.47 1s64 s SER 119 N 1.45 -0.26 0.79 -0.34 1.04 -1.26 -4.89 113.70 110.24 1s64 s SER 119 Ca 0.21 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1s64 s SER 119 Cb -0.16 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.72 1s64 s SER 119 CO 0.09 -1.24 1.15 -0.83 0.98 0.00 0.00 173.24 173.39 1s64 s GLY 120 N -2.92 1.61 -0.11 7.32 0.00 -0.34 -4.66 107.32 108.23 1s64 s GLY 120 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1s64 s GLY 120 CO 0.04 -0.23 -0.10 -1.58 0.00 0.00 0.00 173.10 171.23 1s64 s HIS 121 N -3.52 1.63 0.31 1.90 5.04 -0.16 -4.57 115.29 115.92 1s64 s HIS 121 Ca 0.62 -0.79 0.08 0.00 -1.54 0.00 0.00 55.06 53.43 1s64 s HIS 121 Cb -0.11 -1.27 0.87 0.00 0.04 0.00 0.00 32.58 32.11 1s64 s HIS 121 CO 0.48 -0.49 1.68 0.97 -2.34 0.00 0.00 174.74 175.05 1s64 h ILE 122 N 6.09 0.40 0.00 0.89 2.10 -1.05 0.41 117.51 126.36 1s64 h ILE 122 Ca -0.32 -0.13 -0.05 0.00 1.08 0.00 0.00 64.86 65.44 1s64 h ILE 122 Cb 1.15 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.86 1s64 h ILE 122 CO 0.45 0.07 -0.24 0.00 -1.08 0.00 0.00 178.15 177.34 1s64 h ALA 123 N 1.77 1.06 0.17 0.18 0.00 -1.95 -1.73 119.26 118.77 1s64 h ALA 123 Ca 0.63 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 55.00 1s64 h ALA 123 Cb 1.29 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1s64 h ALA 123 CO -0.57 0.31 -1.49 0.52 0.00 0.00 0.00 179.25 178.02 1s64 h MET 124 N 0.00 0.36 -0.72 0.00 2.86 -0.56 -1.76 114.93 115.10 1s64 h MET 124 Ca -0.00 -0.61 -0.02 0.00 -2.06 0.00 0.00 59.70 57.00 1s64 h MET 124 Cb 0.71 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1s64 h MET 124 CO 0.03 1.26 0.38 1.15 1.06 0.00 0.00 176.91 180.79 1s64 h THR 125 N 0.10 1.23 0.65 2.22 2.02 -0.72 0.54 112.91 118.94 1s64 h THR 125 Ca -0.24 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1s64 h THR 125 Cb 2.06 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1s64 h THR 125 CO 0.21 0.26 -0.31 0.22 0.37 0.00 0.00 175.52 176.26 1s64 h TYR 126 N 1.00 -0.81 0.00 3.16 3.20 -1.36 -1.73 116.97 120.44 1s64 h TYR 126 Ca 0.25 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1s64 h TYR 126 Cb 0.07 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1s64 h TYR 126 CO 0.00 -0.46 -0.22 1.79 -1.64 0.00 0.00 178.16 177.63 1s64 h THR 127 N -1.08 1.04 0.45 1.81 1.35 -1.23 -0.97 112.91 114.27 1s64 h THR 127 Ca -0.09 -0.77 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1s64 h THR 127 Cb 0.71 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1s64 h THR 127 CO 0.15 0.21 -0.21 1.23 -0.25 0.00 0.00 175.52 176.64 1s64 h GLY 128 N 0.76 -0.63 0.81 5.82 0.00 0.15 0.12 103.07 110.11 1s64 h GLY 128 Ca -0.00 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1s64 h GLY 128 CO 0.03 -0.23 0.40 1.41 0.00 0.00 0.00 176.54 178.15 1s64 h LEU 129 N -0.88 0.64 -0.71 3.11 3.38 -1.21 -1.46 115.31 118.18 1s64 h LEU 129 Ca -0.06 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1s64 h LEU 129 Cb 0.57 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1s64 h LEU 129 CO 0.10 0.44 0.41 -1.28 0.09 0.00 0.00 178.44 178.20 1s64 h SER 130 N 0.78 0.62 -0.55 -0.43 0.87 -1.10 -2.06 113.55 111.68 1s64 h SER 130 Ca 0.28 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 1s64 h SER 130 Cb 0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1s64 h SER 130 CO -0.13 0.40 0.06 0.00 -0.53 0.00 0.00 176.83 176.63 1s64 h LEU 132 N 0.81 0.43 -0.43 0.00 3.38 -0.82 -0.69 115.31 117.99 1s64 h LEU 132 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1s64 h LEU 132 Cb 0.45 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1s64 h LEU 132 CO 0.02 0.30 0.20 0.40 0.09 0.00 0.00 178.44 179.45 1s64 h ILE 133 N 0.55 1.18 -0.88 1.22 2.04 -1.27 -1.56 117.51 118.79 1s64 h ILE 133 Ca 0.21 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1s64 h ILE 133 Cb 0.07 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1s64 h ILE 133 CO -0.12 0.20 0.58 0.40 0.00 0.00 0.00 178.15 179.20 1s64 h ILE 134 N 0.55 1.14 0.00 -0.67 2.04 -0.95 -2.09 117.51 117.53 1s64 h ILE 134 Ca 0.15 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1s64 h ILE 134 Cb 0.12 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1s64 h ILE 134 CO -0.02 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.51 1s64 n LEU 135 N -4.45 0.00 0.00 1.44 4.77 -0.31 -4.91 117.00 113.54 1s64 n LEU 135 Ca 0.12 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1s64 n LEU 135 Cb 0.12 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1s64 n LEU 135 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1s64 n GLY 136 N 1.19 0.17 3.70 -0.72 0.00 -0.78 -4.95 105.19 103.80 1s64 n GLY 136 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 3.55 0.00 1.61 -1.08 -0.63 -4.94 116.67 113.15 1s64 s ASP 137 Ca 0.00 2.27 0.18 0.00 -0.52 0.00 0.00 52.55 54.48 1s64 s ASP 137 Cb 0.00 -2.58 0.49 0.00 -1.46 0.00 0.00 42.92 39.37 1s64 s ASP 137 CO 0.00 -2.69 1.40 -0.90 0.52 0.00 0.00 175.17 173.51 1s64 n ASP 138 N -3.50 3.49 -1.25 -0.34 5.68 -1.26 -4.47 116.55 114.89 1s64 n ASP 138 Ca 0.13 -1.98 -0.16 0.00 -0.50 0.00 0.00 54.79 52.27 1s64 n ASP 138 Cb 0.51 -0.36 -0.07 0.00 -1.14 0.00 0.00 41.12 40.06 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 1.20 -1.16 0.14 -2.12 4.32 -1.26 -4.88 117.00 113.24 1s64 n LEU 139 Ca 0.19 0.40 0.01 0.00 -0.02 0.00 0.00 56.01 56.59 1s64 n LEU 139 Cb 0.54 -2.41 0.31 0.00 -1.62 0.00 0.00 43.42 40.24 1s64 n LEU 139 CO 0.13 -0.88 0.72 0.77 -1.22 0.00 0.00 177.39 176.91 1s64 h SER 140 N 0.00 0.13 -0.01 -1.43 4.64 -2.02 -2.50 113.55 112.36 1s64 h SER 140 Ca -0.33 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1s64 h SER 140 Cb 1.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1s64 h SER 140 CO 0.49 0.48 0.00 0.54 -0.87 0.00 0.00 176.83 177.47 1s64 n ARG 141 N -4.10 1.34 -2.97 4.77 1.74 -1.26 -4.80 116.66 111.39 1s64 n ARG 141 Ca -0.02 -0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 56.16 1s64 n ARG 141 Cb 0.41 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.99 4.93 -1.15 1.55 1.01 -0.94 -4.96 120.40 118.85 1s64 s VAL 142 Ca 0.42 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.66 1s64 s VAL 142 Cb 0.21 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1s64 s VAL 142 CO 0.35 0.06 1.58 -0.62 0.00 0.00 0.00 175.10 176.47 1s64 s ASP 143 N 1.17 6.66 0.23 3.32 -1.08 -1.26 -4.82 116.67 120.88 1s64 s ASP 143 Ca 0.35 -1.91 -0.06 0.00 -0.52 0.00 0.00 52.55 50.41 1s64 s ASP 143 Cb -0.16 -2.57 0.40 0.00 -1.46 0.00 0.00 42.92 39.12 1s64 s ASP 143 CO 0.12 -1.35 1.72 0.11 0.52 0.00 0.00 175.17 176.28 1s64 h LYS 144 N 8.78 0.38 -0.25 4.34 1.57 -1.93 -1.52 116.57 127.94 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 0.95 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1s64 h LYS 144 CO 1.44 0.25 -0.12 0.93 -0.57 0.00 0.00 179.45 181.39 1s64 h GLU 145 N 0.39 0.41 -0.18 3.15 4.39 -1.99 -1.80 114.58 118.94 1s64 h GLU 145 Ca 0.38 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.91 1s64 h GLU 145 Cb 0.56 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1s64 h GLU 145 CO -0.40 0.54 -0.12 0.00 -1.16 0.00 0.00 179.01 177.87 1s64 h ALA 146 N 1.50 0.26 -0.51 3.43 0.00 -1.69 -1.43 119.26 120.83 1s64 h ALA 146 Ca 0.08 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1s64 h ALA 146 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1s64 h ALA 146 CO 0.03 0.12 0.31 0.00 0.00 0.00 0.00 179.25 179.70 1s64 h LEU 148 N 0.61 0.69 -0.53 0.00 3.38 -1.29 0.10 115.31 118.28 1s64 h LEU 148 Ca 0.20 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1s64 h LEU 148 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1s64 h LEU 148 CO -0.09 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1s64 h ALA 149 N 1.40 0.71 -0.69 1.53 0.00 -0.62 -1.10 119.26 120.48 1s64 h ALA 149 Ca 0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1s64 h ALA 149 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s64 h ALA 149 CO 0.00 0.52 0.25 0.78 0.00 0.00 0.00 179.25 180.80 1s64 h GLY 150 N 0.80 1.12 0.99 0.00 0.00 -0.33 -2.69 103.07 102.96 1s64 h GLY 150 Ca 0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1s64 h GLY 150 CO 0.03 0.60 -0.09 -2.00 0.00 0.00 0.00 176.54 175.07 1s64 h LEU 151 N 0.99 -0.22 -0.82 3.11 6.46 -0.47 -2.82 115.31 121.53 1s64 h LEU 151 Ca 0.23 -0.01 0.16 0.00 -0.12 0.00 0.00 57.88 58.14 1s64 h LEU 151 Cb 0.25 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.14 1s64 h LEU 151 CO -0.01 -0.14 0.38 0.03 -0.62 0.00 0.00 178.44 178.07 1s64 h ARG 152 N -0.28 0.50 0.00 1.25 3.08 -0.98 0.29 114.38 118.24 1s64 h ARG 152 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1s64 h ARG 152 Cb 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1s64 h ARG 152 CO 0.04 0.33 -0.01 0.00 -1.07 0.00 0.00 179.97 179.26 1s64 h ALA 153 N 1.58 1.17 0.00 0.04 0.00 -1.23 -2.54 119.26 118.28 1s64 h ALA 153 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1s64 h ALA 153 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s64 h ALA 153 CO -0.41 0.01 -0.35 -0.07 0.00 0.00 0.00 179.25 178.44 1s64 h LEU 154 N 0.00 0.00 -9.63 0.00 3.38 -0.83 -3.47 115.31 104.76 1s64 h LEU 154 Ca -0.00 -0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.40 1s64 h LEU 154 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1s64 h LEU 154 CO 0.00 0.03 0.42 -1.58 0.09 0.00 0.00 178.44 177.40 1s64 s GLN 155 N -3.19 4.66 0.55 1.13 0.74 -0.96 -1.59 119.66 120.99 1s64 s GLN 155 Ca 0.07 1.60 0.01 0.00 0.05 0.00 0.00 55.36 57.09 1s64 s GLN 155 Cb 0.10 -3.32 0.03 0.00 1.10 0.00 0.00 33.01 30.93 1s64 s GLN 155 CO 0.68 0.16 0.77 -0.51 -0.55 0.00 0.00 175.29 175.85 1s64 s LEU 156 N -0.28 3.28 0.32 3.68 1.43 0.19 -4.98 118.68 122.32 1s64 s LEU 156 Ca 0.48 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1s64 s LEU 156 Cb -0.27 -2.84 0.68 0.00 0.03 0.00 0.00 46.19 43.80 1s64 s LEU 156 CO 0.33 -1.15 1.87 1.05 0.23 0.00 0.00 176.35 178.67 1s64 h GLU 157 N 0.08 0.83 0.00 1.70 4.11 -1.97 -0.85 114.58 118.48 1s64 h GLU 157 Ca -0.42 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1s64 h GLU 157 Cb 1.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1s64 h GLU 157 CO 0.52 0.55 0.00 -0.40 0.07 0.00 0.00 179.01 179.74 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 -0.89 0.00 0.00 -0.71 0.00 0.00 54.79 53.36 1s64 n ASP 158 Cb 0.38 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 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 0.69 2.84 3.91 6.12 0.00 -0.32 -4.04 105.19 114.38 1s64 n GLY 159 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1s64 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s64 n SER 160 N 0.00 0.22 -4.31 1.61 3.41 -1.26 -4.02 113.62 109.27 1s64 n SER 160 Ca 0.00 -1.55 -0.19 0.00 -0.26 0.00 0.00 58.87 56.87 1s64 n SER 160 Cb 0.00 -0.99 -0.11 0.00 -0.26 0.00 0.00 64.21 62.85 1s64 n SER 160 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s64 s PHE 161 N -3.87 1.64 0.40 7.33 0.40 -1.26 -0.63 117.98 121.99 1s64 s PHE 161 Ca 0.75 -0.55 0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1s64 s PHE 161 Cb -0.02 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 1s64 s PHE 161 CO 0.53 0.28 0.46 0.00 0.70 0.00 0.00 175.22 177.18 1s64 n ALA 163 N -1.66 1.43 -2.91 0.00 0.00 -1.26 -4.78 120.51 111.34 1s64 n ALA 163 Ca 0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1s64 n ALA 163 Cb 0.60 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.59 0.35 0.55 0.00 -7.23 -1.26 -0.42 120.40 109.80 1s64 s VAL 164 Ca -0.07 -0.99 0.23 0.00 -1.81 0.00 0.00 61.98 59.34 1s64 s VAL 164 Cb 0.08 -0.45 0.32 0.00 0.56 0.00 0.00 36.38 36.88 1s64 s VAL 164 CO 0.82 -0.42 2.17 1.55 -0.31 0.00 0.00 175.10 178.91 1s64 h PRO 165 N 4.59 0.00 0.00 4.82 0.13 -1.86 -0.86 132.00 138.82 1s64 h PRO 165 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1s64 h PRO 165 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 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 -4.22 0.05 0.00 0.86 4.71 -1.26 -4.97 120.64 115.81 1s64 n GLU 166 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1s64 n GLU 166 Cb 0.14 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 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 0.18 2.71 0.32 0.62 0.00 -0.33 -5.17 105.19 103.52 1s64 n GLY 167 Ca 0.04 -1.68 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.13 -4.80 1.61 3.41 -1.26 -4.73 113.62 107.72 1s64 n SER 168 Ca 0.00 -1.06 -0.31 0.00 -0.26 0.00 0.00 58.87 57.24 1s64 n SER 168 Cb 0.00 0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.00 2.86 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.74 1s64 s GLU 169 Ca 0.02 1.08 0.02 0.00 0.03 0.00 0.00 54.97 56.12 1s64 s GLU 169 Cb -0.00 -1.98 0.01 0.00 -0.80 0.00 0.00 34.13 31.36 1s64 s GLU 169 CO 0.00 -1.17 -0.08 0.54 -1.33 0.00 0.00 175.26 173.22 1s64 s ASN 170 N -3.41 1.21 0.11 0.83 4.22 -1.26 -4.16 114.94 112.47 1s64 s ASN 170 Ca 0.60 -0.19 -0.10 0.00 -2.14 0.00 0.00 52.86 51.04 1s64 s ASN 170 Cb -0.16 -0.43 0.04 0.00 1.28 0.00 0.00 41.25 41.98 1s64 s ASN 170 CO 0.50 0.03 0.50 -0.90 -2.04 0.00 0.00 177.10 175.19 1s64 n ASP 171 N 3.57 -0.91 -0.27 3.54 5.68 -1.19 -4.93 116.55 122.04 1s64 n ASP 171 Ca -0.21 -1.50 0.12 0.00 -0.50 0.00 0.00 54.79 52.69 1s64 n ASP 171 Cb 0.53 1.48 0.37 0.00 -1.14 0.00 0.00 41.12 42.36 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 0.69 -0.82 0.11 1.85 -1.73 -2.23 114.93 112.79 1s64 h MET 172 Ca -0.14 -0.04 0.16 0.00 -0.61 0.00 0.00 59.70 59.07 1s64 h MET 172 Cb 0.60 -0.15 -0.10 0.00 0.43 0.00 0.00 31.60 32.37 1s64 h MET 172 CO 0.19 0.45 0.37 0.00 -0.40 0.00 0.00 176.91 177.52 1s64 h ARG 173 N 0.71 0.49 0.00 0.39 3.08 -1.94 -0.60 114.38 116.51 1s64 h ARG 173 Ca 0.45 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 1s64 h ARG 173 Cb 0.70 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1s64 h ARG 173 CO -0.21 0.32 -0.09 0.74 -1.07 0.00 0.00 179.97 179.67 1s64 h PHE 174 N 0.50 0.00 -0.43 3.04 0.05 -1.69 -2.64 116.94 115.77 1s64 h PHE 174 Ca 0.46 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.12 1s64 h PHE 174 Cb 0.72 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.66 1s64 h PHE 174 CO -0.13 0.02 -0.27 0.28 -0.18 0.00 0.00 178.31 178.02 1s64 h VAL 175 N 0.00 1.27 -0.53 -0.55 2.07 -1.04 -0.60 116.25 116.88 1s64 h VAL 175 Ca -0.00 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 1s64 h VAL 175 Cb 1.01 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1s64 h VAL 175 CO 0.00 0.48 0.04 0.22 0.02 0.00 0.00 177.57 178.34 1s64 h TYR 176 N 0.78 0.97 -0.44 1.57 3.20 -1.17 -0.64 116.97 121.24 1s64 h TYR 176 Ca 0.09 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1s64 h TYR 176 Cb 0.83 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1s64 h TYR 176 CO 0.05 0.88 0.21 0.00 -1.64 0.00 0.00 178.16 177.66 1s64 h ALA 178 N 1.05 0.50 -0.47 0.00 0.00 -0.94 -1.08 119.26 118.32 1s64 h ALA 178 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1s64 h ALA 178 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1s64 h ALA 178 CO -0.02 -0.05 0.29 0.77 0.00 0.00 0.00 179.25 180.24 1s64 h SER 179 N 0.53 0.48 -0.78 0.00 0.02 -0.77 -1.07 113.55 111.96 1s64 h SER 179 Ca 0.15 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1s64 h SER 179 Cb -0.06 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1s64 h SER 179 CO -0.03 0.35 0.40 0.00 -1.14 0.00 0.00 176.83 176.40 1s64 h ILE 181 N 1.10 1.14 -0.75 0.00 2.04 -0.82 0.27 117.51 120.48 1s64 h ILE 181 Ca 0.27 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s64 h ILE 181 Cb 0.08 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1s64 h ILE 181 CO -0.04 0.12 0.48 0.00 0.00 0.00 0.00 178.15 178.71 1s64 h TYR 183 N 1.02 0.40 -0.55 0.00 3.20 -0.83 -0.63 116.97 119.58 1s64 h TYR 183 Ca 0.27 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 1s64 h TYR 183 Cb -0.09 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1s64 h TYR 183 CO 0.00 0.62 -0.04 0.52 -1.64 0.00 0.00 178.16 177.63 1s64 h MET 184 N 0.07 0.98 -0.11 1.82 2.86 -0.61 -1.43 114.93 118.51 1s64 h MET 184 Ca 0.05 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1s64 h MET 184 Cb 0.50 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1s64 h MET 184 CO 0.02 0.99 0.00 1.28 1.06 0.00 0.00 176.91 180.26 1s64 n LEU 185 N -4.17 0.81 -4.28 1.22 4.77 -0.18 -4.90 117.00 110.27 1s64 n LEU 185 Ca 0.02 -0.36 -0.31 0.00 -0.03 0.00 0.00 56.01 55.33 1s64 n LEU 185 Cb 0.35 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1s64 n LEU 185 CO 0.44 0.18 -0.41 -3.20 -1.33 0.00 0.00 177.39 173.07 1s64 n ASN 186 N -0.19 0.46 -3.45 -1.43 5.15 -0.46 -4.92 115.26 110.41 1s64 n ASN 186 Ca 0.12 -1.23 -0.01 0.00 -0.60 0.00 0.00 54.58 52.86 1s64 n ASN 186 Cb 0.17 -1.85 -0.04 0.00 -0.53 0.00 0.00 39.78 37.53 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 -4.28 -0.93 -0.11 1.20 3.84 -0.37 -5.03 114.94 109.26 1s64 s ASN 187 Ca 0.08 1.10 0.11 0.00 0.21 0.00 0.00 52.86 54.36 1s64 s ASN 187 Cb -0.05 1.98 0.51 0.00 -0.55 0.00 0.00 41.25 43.14 1s64 s ASN 187 CO 0.98 -0.24 1.33 0.79 -2.79 0.00 0.00 177.10 177.17 1s64 n TRP 188 N 5.42 1.16 0.71 0.43 7.02 -1.26 -4.00 117.44 126.93 1s64 n TRP 188 Ca -0.07 -0.43 0.09 0.00 -1.02 0.00 0.00 57.50 56.07 1s64 n TRP 188 Cb 0.50 -0.27 0.42 0.00 -2.42 0.00 0.00 31.31 29.54 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 0.55 0.00 0.00 -0.99 3.41 -1.26 -2.63 113.62 112.70 1s64 n SER 189 Ca 0.18 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 1s64 n SER 189 Cb 0.74 -0.44 0.31 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.39 -0.95 3.34 5.00 0.00 -1.26 -4.81 105.19 106.90 1s64 n GLY 190 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.94 1.11 -0.90 1.61 0.23 -1.08 -2.66 119.30 114.67 1s64 s MET 191 Ca 0.08 -0.72 -0.17 0.00 -1.03 0.00 0.00 55.69 53.84 1s64 s MET 191 Cb 0.09 0.48 0.16 0.00 -1.53 0.00 0.00 34.83 34.03 1s64 s MET 191 CO 0.25 -0.44 1.02 0.34 -2.03 0.00 0.00 175.02 174.16 1s64 s ASP 192 N -2.81 6.66 0.32 -1.18 3.68 -1.26 -4.90 116.67 117.18 1s64 s ASP 192 Ca 0.04 -2.23 0.07 0.00 2.13 0.00 0.00 52.55 52.56 1s64 s ASP 192 Cb 0.01 -2.34 0.78 0.00 -1.45 0.00 0.00 42.92 39.92 1s64 s ASP 192 CO -0.11 -0.92 1.78 -0.03 0.13 0.00 0.00 175.17 176.02 1s64 h MET 193 N 8.53 0.70 -0.61 4.34 1.85 -1.98 -1.61 114.93 126.15 1s64 h MET 193 Ca 0.14 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.22 1s64 h MET 193 Cb 1.03 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 32.86 1s64 h MET 193 CO 1.00 0.46 0.37 -0.22 -0.40 0.00 0.00 176.91 178.13 1s64 h LYS 194 N 0.72 0.71 -0.16 0.39 3.11 -2.00 -0.81 116.57 118.53 1s64 h LYS 194 Ca 0.57 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 58.22 1s64 h LYS 194 Cb 0.95 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.01 1s64 h LYS 194 CO -0.37 0.47 -0.53 0.87 -2.81 0.00 0.00 179.45 177.08 1s64 h LYS 195 N 0.73 0.47 -0.40 1.90 1.57 -1.69 -2.19 116.57 116.96 1s64 h LYS 195 Ca 0.25 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1s64 h LYS 195 Cb 0.03 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1s64 h LYS 195 CO -0.11 0.88 0.11 0.00 -0.57 0.00 0.00 179.45 179.76 1s64 h ALA 196 N 1.06 0.52 -1.01 3.86 0.00 -1.03 -1.38 119.26 121.28 1s64 h ALA 196 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1s64 h ALA 196 Cb 1.05 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1s64 h ALA 196 CO 0.10 0.19 0.67 0.82 0.00 0.00 0.00 179.25 181.03 1s64 h ILE 197 N 0.50 1.26 -0.66 0.00 2.04 -1.08 -0.69 117.51 118.88 1s64 h ILE 197 Ca 0.13 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1s64 h ILE 197 Cb 0.30 -0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 1s64 h ILE 197 CO -0.00 0.25 0.36 -1.28 0.00 0.00 0.00 178.15 177.48 1s64 h SER 198 N 1.37 0.82 -0.44 1.72 0.87 -1.01 -0.70 113.55 116.18 1s64 h SER 198 Ca 0.37 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1s64 h SER 198 Cb -0.15 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 1s64 h SER 198 CO -0.08 0.68 0.20 0.22 -0.53 0.00 0.00 176.83 177.31 1s64 h TYR 199 N 0.90 0.64 -0.77 2.24 3.20 -0.41 -1.30 116.97 121.47 1s64 h TYR 199 Ca 0.23 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1s64 h TYR 199 Cb 0.04 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1s64 h TYR 199 CO -0.01 0.53 0.47 0.82 -1.64 0.00 0.00 178.16 178.34 1s64 h ILE 200 N 0.56 1.21 -0.36 1.81 2.04 -0.71 -2.41 117.51 119.66 1s64 h ILE 200 Ca 0.15 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1s64 h ILE 200 Cb 0.15 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1s64 h ILE 200 CO -0.02 0.22 0.08 0.03 0.00 0.00 0.00 178.15 178.47 1s64 h ARG 201 N 1.06 0.59 0.00 2.37 3.08 -0.87 -2.71 114.38 117.90 1s64 h ARG 201 Ca 0.28 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1s64 h ARG 201 Cb -0.05 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1s64 h ARG 201 CO -0.05 0.64 0.00 0.54 -1.07 0.00 0.00 179.97 180.02 1s64 n ARG 202 N -4.59 0.08 0.00 0.04 1.74 -0.51 -1.81 116.66 111.60 1s64 n ARG 202 Ca -0.01 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.63 1s64 n ARG 202 Cb 0.21 -1.68 0.40 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.83 0.44 -4.71 0.55 3.41 -0.93 -4.02 113.62 106.51 1s64 n SER 203 Ca 0.01 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 1s64 n SER 203 Cb 0.11 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.87 4.25 0.67 4.33 -2.45 -0.75 -1.37 119.30 121.11 1s64 s MET 204 Ca 0.16 2.24 -0.04 0.00 -1.25 0.00 0.00 55.69 56.79 1s64 s MET 204 Cb 0.18 -3.30 0.07 0.00 1.25 0.00 0.00 34.83 33.03 1s64 s MET 204 CO 0.61 -0.57 0.96 0.45 1.05 0.00 0.00 175.02 177.51 1s64 s SER 205 N 1.42 4.82 0.54 1.11 0.15 -0.23 -4.86 113.70 116.64 1s64 s SER 205 Ca 0.69 0.23 0.31 0.00 0.70 0.00 0.00 55.95 57.87 1s64 s SER 205 Cb -0.40 -0.89 1.53 0.00 -1.71 0.00 0.00 66.02 64.55 1s64 s SER 205 CO 0.31 -1.55 2.07 0.10 1.20 0.00 0.00 173.24 175.37 1s64 h TYR 206 N -0.45 0.00 -0.30 3.44 -0.00 -1.94 -1.34 116.97 116.38 1s64 h TYR 206 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 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 0.22 0.09 0.00 -0.40 -0.00 0.00 0.00 178.16 178.07 1s64 n ASP 207 N -3.41 2.05 0.00 0.10 3.85 -1.26 -4.94 116.55 112.94 1s64 n ASP 207 Ca -0.01 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.20 1s64 n ASP 207 Cb 0.25 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 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 0.59 0.00 -4.46 -1.12 3.02 -0.51 -4.78 115.26 108.00 1s64 n ASN 208 Ca 0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.43 1s64 n ASN 208 Cb 0.36 -0.06 0.14 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.00 1.75 -0.11 7.41 0.00 -1.26 -4.24 107.32 108.87 1s64 s GLY 209 Ca 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 44.72 43.44 1s64 s GLY 209 CO 0.00 -0.61 -0.00 1.08 0.00 0.00 0.00 173.10 173.56 1s64 s LEU 210 N -5.57 3.52 0.55 0.66 1.02 -1.26 -1.07 118.68 116.53 1s64 s LEU 210 Ca 0.69 0.07 0.08 0.00 0.02 0.00 0.00 54.13 54.99 1s64 s LEU 210 Cb -0.06 -1.82 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1s64 s LEU 210 CO 0.49 0.31 0.64 0.00 0.02 0.00 0.00 176.35 177.81 1s64 s ALA 211 N -0.47 4.58 0.29 4.21 0.00 -0.47 -1.37 121.76 128.54 1s64 s ALA 211 Ca 0.08 -1.83 0.27 0.00 0.00 0.00 0.00 51.96 50.48 1s64 s ALA 211 Cb -0.12 -1.22 1.26 0.00 0.00 0.00 0.00 23.12 23.04 1s64 s ALA 211 CO 0.02 -0.66 1.98 1.96 0.00 0.00 0.00 175.76 179.06 1s64 h GLN 212 N 0.43 0.00 -2.18 0.00 1.08 -1.87 -3.45 115.11 109.12 1s64 h GLN 212 Ca -0.33 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.06 1s64 h GLN 212 Cb 1.29 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.62 1s64 h GLN 212 CO 0.47 0.15 0.54 0.20 -0.95 0.00 0.00 178.83 179.25 1s64 s GLY 213 N -4.23 -0.29 0.16 3.46 0.00 -1.26 -2.08 107.32 103.07 1s64 s GLY 213 Ca -0.01 0.37 -0.34 0.00 0.00 0.00 0.00 44.72 44.74 1s64 s GLY 213 CO 0.60 0.08 1.29 0.00 0.00 0.00 0.00 173.10 175.06 1s64 n ALA 214 N -0.43 -0.32 0.00 3.20 0.00 -1.26 -2.22 120.51 119.48 1s64 n ALA 214 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1s64 n ALA 214 Cb 0.61 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.29 2.99 3.84 0.00 0.00 -1.26 -5.02 105.19 108.03 1s64 n GLY 215 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 2.75 0.09 0.99 1.02 -0.94 -4.99 118.68 117.60 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 -3.96 -0.08 0.00 0.02 0.00 0.00 46.19 42.17 1s64 s LEU 216 CO 0.00 -1.70 1.56 -0.70 0.02 0.00 0.00 176.35 175.53 1s64 s GLU 217 N -5.23 4.23 0.54 1.70 2.12 -1.26 -4.69 118.70 116.12 1s64 s GLU 217 Ca 0.60 2.26 -0.22 0.00 0.36 0.00 0.00 54.97 57.97 1s64 s GLU 217 Cb -0.13 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1s64 s GLU 217 CO 0.53 -0.64 1.35 -1.54 -0.54 0.00 0.00 175.26 174.43 1s64 s SER 218 N 1.80 5.31 0.01 -1.70 1.04 -1.26 -4.45 113.70 114.45 1s64 s SER 218 Ca 0.70 2.75 -0.06 0.00 0.48 0.00 0.00 55.95 59.82 1s64 s SER 218 Cb -0.39 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.09 1s64 s SER 218 CO 0.31 -1.54 0.11 -2.28 0.98 0.00 0.00 173.24 170.82 1s64 s HIS 219 N -1.31 0.08 0.36 5.02 2.46 -0.47 -4.82 115.29 116.61 1s64 s HIS 219 Ca 0.71 -0.22 0.03 0.00 0.47 0.00 0.00 55.06 56.05 1s64 s HIS 219 Cb -0.40 -0.07 0.68 0.00 -0.13 0.00 0.00 32.58 32.66 1s64 s HIS 219 CO 0.47 -0.28 2.02 0.78 -2.47 0.00 0.00 174.74 175.26 1s64 h GLY 220 N 4.25 0.84 0.66 1.59 0.00 -0.30 -0.46 103.07 109.65 1s64 h GLY 220 Ca -0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1s64 h GLY 220 CO 0.41 0.30 -0.09 -1.33 0.00 0.00 0.00 176.54 175.84 1s64 h GLY 221 N 0.80 0.24 1.96 4.60 0.00 -1.91 -2.16 103.07 106.60 1s64 h GLY 221 Ca 0.22 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1s64 h GLY 221 CO -0.05 0.22 -0.49 1.48 0.00 0.00 0.00 176.54 177.70 1s64 h SER 222 N -0.19 0.04 -0.48 0.19 4.64 -1.76 -1.03 113.55 114.96 1s64 h SER 222 Ca 0.01 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1s64 h SER 222 Cb 0.60 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1s64 h SER 222 CO 0.02 0.52 -0.04 0.74 -0.87 0.00 0.00 176.83 177.21 1s64 h THR 223 N 0.03 1.27 -0.09 2.95 2.02 -1.08 0.58 112.91 118.58 1s64 h THR 223 Ca -0.00 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1s64 h THR 223 Cb 0.87 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1s64 h THR 223 CO 0.07 0.39 0.05 0.15 0.37 0.00 0.00 175.52 176.55 1s64 h PHE 224 N 0.73 0.13 -0.63 3.16 3.57 -1.02 -0.63 116.94 122.25 1s64 h PHE 224 Ca 0.13 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1s64 h PHE 224 Cb 0.56 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1s64 h PHE 224 CO 0.04 0.16 0.33 0.00 -2.23 0.00 0.00 178.31 176.61 1s64 h GLY 226 N 0.61 -0.02 0.85 0.00 0.00 -0.72 -1.74 103.07 102.04 1s64 h GLY 226 Ca 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1s64 h GLY 226 CO -0.19 -0.01 0.05 -2.22 0.00 0.00 0.00 176.54 174.16 1s64 h ILE 227 N -0.36 1.19 -0.96 2.60 1.08 -0.88 -2.32 117.51 117.87 1s64 h ILE 227 Ca -0.00 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1s64 h ILE 227 Cb 0.34 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1s64 h ILE 227 CO 0.00 0.18 0.62 0.00 -0.69 0.00 0.00 178.15 178.27 1s64 h ALA 228 N 0.86 1.29 -0.17 1.87 0.00 -0.47 -0.90 119.26 121.74 1s64 h ALA 228 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s64 h ALA 228 Cb 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s64 h ALA 228 CO -0.00 0.65 0.10 0.77 0.00 0.00 0.00 179.25 180.77 1s64 h SER 229 N 1.31 0.17 -0.88 0.00 0.02 -1.16 0.25 113.55 113.26 1s64 h SER 229 Ca 0.35 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1s64 h SER 229 Cb -0.13 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1s64 h SER 229 CO -0.07 0.13 0.52 -0.07 -1.14 0.00 0.00 176.83 176.20 1s64 h LEU 230 N 0.21 1.07 -0.54 5.07 3.38 -0.91 -1.06 115.31 122.52 1s64 h LEU 230 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 230 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1s64 h LEU 230 CO -0.03 0.83 0.22 0.00 0.09 0.00 0.00 178.44 179.55 1s64 h LEU 232 N 0.74 0.44 0.00 0.00 4.07 -0.47 0.11 115.31 120.20 1s64 h LEU 232 Ca 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1s64 h LEU 232 Cb 0.19 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1s64 h LEU 232 CO -0.02 0.37 -0.15 0.23 -1.08 0.00 0.00 178.44 177.79 1s64 n MET 233 N -4.43 0.22 -2.96 1.13 2.81 -0.45 -4.93 117.12 108.51 1s64 n MET 233 Ca 0.02 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1s64 n MET 233 Cb 0.10 -1.73 0.04 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.35 0.16 0.42 3.03 0.00 0.43 -4.95 105.19 105.63 1s64 n GLY 234 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.72 0.47 0.20 1.61 5.02 -0.23 -4.88 118.16 117.63 1s64 n LYS 235 Ca -0.01 -1.65 -0.16 0.00 -2.02 0.00 0.00 58.31 54.48 1s64 n LYS 235 Cb 0.54 -0.83 -0.08 0.00 -0.02 0.00 0.00 35.03 34.64 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 0.09 -1.19 -1.44 -0.35 6.46 -1.90 -0.89 115.31 116.10 1s64 h LEU 236 Ca -0.01 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1s64 h LEU 236 Cb 1.29 0.42 -0.03 0.00 -0.73 0.00 0.00 40.66 41.60 1s64 h LEU 236 CO 0.01 -0.54 0.39 -0.33 -0.62 0.00 0.00 178.44 177.35 1s64 h GLU 237 N -0.78 0.74 -0.13 1.25 4.39 -1.90 -2.11 114.58 116.04 1s64 h GLU 237 Ca -0.02 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1s64 h GLU 237 Cb 0.73 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1s64 h GLU 237 CO -0.13 0.49 -0.59 1.49 -1.16 0.00 0.00 179.01 179.11 1s64 h GLU 238 N 0.76 0.44 0.21 2.33 4.81 -1.81 -3.34 114.58 117.98 1s64 h GLU 238 Ca 0.22 -0.30 -0.34 0.00 -0.13 0.00 0.00 59.36 58.82 1s64 h GLU 238 Cb -0.03 0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.41 1s64 h GLU 238 CO -0.05 0.90 -1.60 0.28 -0.73 0.00 0.00 179.01 177.81 1s64 h VAL 239 N 0.33 1.10 -3.66 0.32 2.07 -0.87 -3.46 116.25 112.08 1s64 h VAL 239 Ca -0.00 -2.58 -0.68 0.00 0.82 0.00 0.00 66.70 64.26 1s64 h VAL 239 Cb 1.13 2.89 -0.22 0.00 -1.52 0.00 0.00 31.29 33.56 1s64 h VAL 239 CO 0.10 0.83 -0.73 -0.36 0.02 0.00 0.00 177.57 177.43 1s64 s PHE 240 N -2.57 2.85 0.90 1.57 2.99 -0.82 -5.08 117.98 117.82 1s64 s PHE 240 Ca -0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 56.93 56.47 1s64 s PHE 240 Cb 0.05 -1.74 0.13 0.00 0.00 0.00 0.00 43.02 41.46 1s64 s PHE 240 CO 0.89 0.14 1.12 -1.54 -0.00 0.00 0.00 175.22 175.82 1s64 s SER 241 N -0.41 3.53 0.20 1.36 1.04 -1.26 -4.62 113.70 113.54 1s64 s SER 241 Ca 0.05 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.50 1s64 s SER 241 Cb -0.12 -1.77 0.12 0.00 0.10 0.00 0.00 66.02 64.35 1s64 s SER 241 CO 0.02 -2.56 1.85 -0.08 0.98 0.00 0.00 173.24 173.45 1s64 h GLU 242 N -1.50 0.91 -0.55 4.02 4.81 -1.99 0.06 114.58 120.34 1s64 h GLU 242 Ca -0.51 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1s64 h GLU 242 Cb 1.31 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1s64 h GLU 242 CO 0.60 0.63 0.36 -0.22 -0.73 0.00 0.00 179.01 179.65 1s64 h LYS 243 N 0.92 0.71 -0.22 1.92 3.64 -1.99 -0.32 116.57 121.23 1s64 h LYS 243 Ca 0.25 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1s64 h LYS 243 Cb -0.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1s64 h LYS 243 CO -0.05 0.47 0.11 0.93 -2.27 0.00 0.00 179.45 178.65 1s64 h GLU 244 N 0.73 0.32 -0.25 1.90 5.08 -1.77 -1.91 114.58 118.69 1s64 h GLU 244 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1s64 h GLU 244 Cb -0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1s64 h GLU 244 CO -0.05 0.32 0.06 -0.07 -1.00 0.00 0.00 179.01 178.27 1s64 h LEU 245 N 0.24 0.32 -0.66 1.33 3.38 -0.71 -0.71 115.31 118.50 1s64 h LEU 245 Ca 0.08 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1s64 h LEU 245 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1s64 h LEU 245 CO -0.01 0.32 0.01 0.78 0.09 0.00 0.00 178.44 179.64 1s64 h ASN 246 N 0.35 1.03 -0.49 -0.43 -0.26 -0.59 -0.35 115.58 114.86 1s64 h ASN 246 Ca 0.09 -0.29 -0.10 0.00 -0.56 0.00 0.00 56.30 55.44 1s64 h ASN 246 Cb 0.13 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 1s64 h ASN 246 CO -0.00 1.07 -0.09 0.03 -1.06 0.00 0.00 177.43 177.38 1s64 h ARG 247 N 0.97 0.92 -0.56 0.81 3.08 -0.53 -1.52 114.38 117.55 1s64 h ARG 247 Ca 0.18 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1s64 h ARG 247 Cb 0.54 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1s64 h ARG 247 CO 0.03 0.99 0.02 0.82 -1.07 0.00 0.00 179.97 180.76 1s64 h ILE 248 N 0.77 1.26 -0.70 2.04 2.04 -0.98 -1.24 117.51 120.70 1s64 h ILE 248 Ca 0.13 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1s64 h ILE 248 Cb 0.64 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1s64 h ILE 248 CO 0.04 0.39 0.46 0.11 0.00 0.00 0.00 178.15 179.15 1s64 h LYS 249 N 0.86 0.93 -0.30 2.37 1.57 -0.92 -0.03 116.57 121.05 1s64 h LYS 249 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1s64 h LYS 249 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1s64 h LYS 249 CO 0.02 0.62 0.20 -0.09 -0.57 0.00 0.00 179.45 179.63 1s64 h ARG 250 N 0.95 0.39 -0.38 3.15 9.65 -0.95 0.38 114.38 127.57 1s64 h ARG 250 Ca 0.26 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1s64 h ARG 250 Cb -0.10 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 1s64 h ARG 250 CO -0.05 0.26 0.24 2.35 2.80 0.00 0.00 179.97 185.56 1s64 h TRP 251 N 0.40 0.45 0.11 2.20 7.01 -0.69 -2.31 115.95 123.11 1s64 h TRP 251 Ca 0.11 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1s64 h TRP 251 Cb -0.05 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.87 1s64 h TRP 251 CO -0.06 0.27 -0.05 0.00 -2.79 0.00 0.00 178.44 175.81 1s64 h ILE 253 N -0.31 0.00 0.00 0.00 2.10 -0.87 -0.26 117.51 118.17 1s64 h ILE 253 Ca -0.01 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1s64 h ILE 253 Cb 0.26 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 1s64 h ILE 253 CO 0.02 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.32 1s64 n MET 254 N -2.68 0.00 0.18 2.19 2.81 -0.88 -3.17 117.12 115.57 1s64 n MET 254 Ca -0.00 0.09 0.14 0.00 -1.81 0.00 0.00 57.70 56.12 1s64 n MET 254 Cb 0.19 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.65 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 -6.28 0.03 2.47 -1.08 -3.44 114.38 106.08 1s64 h ARG 255 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1s64 h ARG 255 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1s64 h ARG 255 CO 0.00 0.00 0.57 -1.14 0.56 0.00 0.00 179.97 179.96 1s64 s GLN 256 N -3.32 4.43 -0.12 0.04 0.74 -1.19 -2.40 119.66 117.83 1s64 s GLN 256 Ca 0.06 1.43 -0.01 0.00 0.05 0.00 0.00 55.36 56.89 1s64 s GLN 256 Cb 0.09 -3.54 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 1s64 s GLN 256 CO 0.53 -0.31 -0.12 1.04 -0.55 0.00 0.00 175.29 175.89 1s64 n GLN 257 N 4.93 0.29 0.13 1.67 1.13 -1.26 -4.97 117.38 119.30 1s64 n GLN 257 Ca 0.09 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1s64 n GLN 257 Cb 0.49 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.66 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 -3.01 -2.26 -0.42 1.08 0.23 -1.26 -5.07 115.26 104.55 1s64 n ASN 258 Ca -0.22 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1s64 n ASN 258 Cb 0.71 2.30 0.00 0.00 -2.08 0.00 0.00 39.78 40.71 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 -1.46 1.55 3.34 4.83 0.00 -1.26 -2.39 105.19 109.80 1s64 n GLY 259 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 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 1.74 2.20 0.37 1.61 1.51 -1.26 -4.47 117.35 119.05 1s64 s TYR 260 Ca 0.00 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1s64 s TYR 260 Cb 0.00 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1s64 s TYR 260 CO 0.00 0.19 0.27 -3.38 -1.11 0.00 0.00 175.55 171.52 1s64 s HIS 261 N -0.91 2.77 -0.30 2.71 -3.43 -1.01 -1.23 115.29 113.89 1s64 s HIS 261 Ca 0.11 -0.40 0.22 0.00 -0.80 0.00 0.00 55.06 54.19 1s64 s HIS 261 Cb -0.10 -1.88 0.12 0.00 -1.43 0.00 0.00 32.58 29.30 1s64 s HIS 261 CO 0.03 0.14 1.26 0.78 -2.00 0.00 0.00 174.74 174.96 1s64 h GLY 262 N 1.28 0.00 -3.45 -1.38 0.00 -1.87 -3.45 103.07 94.20 1s64 h GLY 262 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1s64 h GLY 262 CO 0.60 0.00 0.19 1.09 0.00 0.00 0.00 176.54 178.42 1s64 s ARG 263 N -3.25 1.17 0.22 4.80 1.70 -1.26 0.44 118.95 122.77 1s64 s ARG 263 Ca 0.02 -0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 1s64 s ARG 263 Cb 0.08 0.54 -0.16 0.00 -0.57 0.00 0.00 34.95 34.84 1s64 s ARG 263 CO 0.74 -0.45 0.82 -2.30 -1.08 0.00 0.00 175.30 173.03 1s64 n PRO 264 N 0.19 0.68 -1.92 3.89 -0.02 -1.26 -2.32 135.00 134.24 1s64 n PRO 264 Ca -0.18 0.24 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 1s64 n PRO 264 Cb 0.61 -1.47 -0.05 0.00 -0.02 0.00 0.00 33.50 32.57 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 1.67 -5.56 -4.51 2.55 3.02 -1.26 -5.01 115.26 106.17 1s64 n ASN 265 Ca 0.14 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.69 1s64 n ASN 265 Cb 0.27 -4.72 -0.11 0.00 -0.61 0.00 0.00 39.78 34.61 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 1.86 0.58 3.52 -0.14 -0.98 -5.12 119.74 115.21 1s64 s LYS 266 Ca 0.00 -1.19 -0.18 0.00 -1.36 0.00 0.00 55.97 53.24 1s64 s LYS 266 Cb 0.00 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 1s64 s LYS 266 CO 0.00 0.47 1.15 -1.25 -0.76 0.00 0.00 175.35 174.96 1s64 s PRO 267 N -2.28 3.13 0.72 -1.68 0.04 -1.26 -4.78 135.00 128.89 1s64 s PRO 267 Ca 0.20 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1s64 s PRO 267 Cb -0.10 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1s64 s PRO 267 CO 0.11 -1.04 1.13 0.14 0.04 0.00 0.00 177.00 177.38 1s64 s VAL 268 N -1.81 2.95 -0.08 -0.36 -7.23 -1.26 -4.58 120.40 108.03 1s64 s VAL 268 Ca 0.73 0.41 -0.04 0.00 -1.81 0.00 0.00 61.98 61.27 1s64 s VAL 268 Cb -0.25 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.85 1s64 s VAL 268 CO 0.31 -0.31 0.18 -0.62 -0.31 0.00 0.00 175.10 174.35 1s64 s ASP 269 N -2.64 -0.07 0.30 4.85 -1.08 -0.36 -4.83 116.67 112.84 1s64 s ASP 269 Ca 0.67 0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 53.06 1s64 s ASP 269 Cb -0.22 0.27 0.65 0.00 -1.46 0.00 0.00 42.92 42.17 1s64 s ASP 269 CO 0.47 -0.16 1.57 0.74 0.52 0.00 0.00 175.17 178.30 1s64 h THR 270 N 6.05 0.02 -0.10 1.71 2.02 -1.61 -0.80 112.91 120.20 1s64 h THR 270 Ca -0.39 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1s64 h THR 270 Cb 1.14 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1s64 h THR 270 CO 0.38 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.41 1s64 h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.37 -1.25 116.97 114.40 1s64 h TYR 272 Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1s64 h TYR 272 Cb 0.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1s64 h TYR 272 CO 0.00 0.00 -0.08 0.77 -1.05 0.00 0.00 178.16 177.80 1s64 h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.24 0.18 113.55 116.39 1s64 h SER 273 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 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 0.08 -1.81 0.33 -1.14 0.00 0.00 176.83 174.29 1s64 n PHE 274 N -3.87 0.43 -0.04 3.45 7.35 -0.55 -2.75 117.46 121.48 1s64 n PHE 274 Ca -0.02 0.19 -0.10 0.00 -0.76 0.00 0.00 57.45 56.75 1s64 n PHE 274 Cb 0.17 -0.98 -0.04 0.00 0.35 0.00 0.00 39.48 38.99 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 -1.02 0.14 -5.13 4.06 -1.24 0.60 115.95 112.36 1s64 h TRP 275 Ca -0.47 0.05 -0.23 0.00 2.06 0.00 0.00 58.89 60.31 1s64 h TRP 275 Cb 1.37 0.48 0.03 0.00 -1.00 0.00 0.00 29.16 30.04 1s64 h TRP 275 CO -0.06 -0.42 -0.97 0.28 -3.56 0.00 0.00 178.44 173.71 1s64 h VAL 276 N -0.38 1.43 -0.74 1.49 2.07 -1.18 -3.06 116.25 115.88 1s64 h VAL 276 Ca 0.11 -2.50 0.06 0.00 0.82 0.00 0.00 66.70 65.20 1s64 h VAL 276 Cb 0.57 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 33.32 1s64 h VAL 276 CO -0.44 0.72 0.43 1.23 0.02 0.00 0.00 177.57 179.54 1s64 h GLY 277 N -0.16 1.10 1.61 2.17 0.00 -1.35 0.16 103.07 106.60 1s64 h GLY 277 Ca -0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1s64 h GLY 277 CO 0.18 0.19 -0.28 0.00 0.00 0.00 0.00 176.54 176.64 1s64 h ALA 278 N 1.37 1.09 -0.30 3.60 0.00 0.11 -0.45 119.26 124.68 1s64 h ALA 278 Ca 0.33 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1s64 h ALA 278 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s64 h ALA 278 CO -0.18 0.56 0.03 1.15 0.00 0.00 0.00 179.25 180.82 1s64 h THR 279 N 0.39 1.24 -0.64 0.00 2.02 -1.19 -0.28 112.91 114.45 1s64 h THR 279 Ca 0.05 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1s64 h THR 279 Cb 0.70 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1s64 h THR 279 CO 0.05 0.27 0.36 -0.07 0.37 0.00 0.00 175.52 176.51 1s64 h LEU 280 N 0.32 0.78 -0.49 2.58 3.38 -0.64 -0.29 115.31 120.94 1s64 h LEU 280 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 280 Cb 0.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1s64 h LEU 280 CO 0.01 0.62 -0.00 0.50 0.09 0.00 0.00 178.44 179.66 1s64 h LYS 281 N 0.89 0.87 0.00 1.13 1.63 -0.66 -0.30 116.57 120.13 1s64 h LYS 281 Ca 0.23 -0.28 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1s64 h LYS 281 Cb 0.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1s64 h LYS 281 CO -0.04 0.91 -0.29 -0.07 -3.45 0.00 0.00 179.45 176.51 1s64 h LEU 282 N 0.72 0.00 -1.46 5.20 3.38 -0.28 -1.48 115.31 121.40 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 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1s64 h LEU 282 CO 0.03 0.29 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1s64 n LEU 283 N -4.08 2.14 -2.39 1.67 4.77 -0.19 -4.94 117.00 113.97 1s64 n LEU 283 Ca -0.02 -1.02 -0.21 0.00 -0.03 0.00 0.00 56.01 54.73 1s64 n LEU 283 Cb 0.35 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1s64 n LEU 283 CO 0.37 0.51 -0.27 0.29 -1.33 0.00 0.00 177.39 176.96 1s64 n LYS 284 N 0.65 -1.68 -0.12 3.23 5.02 -0.56 -4.87 118.16 119.83 1s64 n LYS 284 Ca 0.15 1.02 0.02 0.00 -2.02 0.00 0.00 58.31 57.47 1s64 n LYS 284 Cb 0.36 -5.68 0.02 0.00 -0.02 0.00 0.00 35.03 29.71 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 -3.98 0.61 0.21 -0.18 -5.35 -0.23 -4.72 119.36 105.72 1s64 n ILE 285 Ca -0.25 -0.68 0.05 0.00 -0.27 0.00 0.00 62.75 61.61 1s64 n ILE 285 Cb 0.69 0.54 0.49 0.00 -1.74 0.00 0.00 39.64 39.61 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 0.02 -0.09 4.28 3.57 -1.79 -1.67 116.94 121.25 1s64 h PHE 286 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1s64 h PHE 286 Cb 0.95 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1s64 h PHE 286 CO 0.02 0.20 0.15 -0.56 -2.23 0.00 0.00 178.31 175.89 1s64 h GLN 287 N 0.02 0.00 -0.19 1.11 3.07 -1.88 -1.15 115.11 116.07 1s64 h GLN 287 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1s64 h GLN 287 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 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 -3.49 0.24 -2.27 0.06 0.53 -0.63 -4.92 117.16 106.68 1s64 n TYR 288 Ca -0.01 -0.12 -0.25 0.00 -1.02 0.00 0.00 57.90 56.50 1s64 n TYR 288 Cb 0.24 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.63 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 -1.76 2.29 -0.49 -0.72 -4.23 -0.44 -5.02 115.64 105.27 1s64 s THR 289 Ca 0.33 -0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 60.30 1s64 s THR 289 Cb 0.19 -2.96 0.04 0.00 1.34 0.00 0.00 72.50 71.11 1s64 s THR 289 CO 0.28 0.00 0.74 0.21 -0.54 0.00 0.00 174.62 175.31 1s64 s ASN 290 N -4.55 6.32 0.05 3.99 3.84 -1.26 -4.94 114.94 118.39 1s64 s ASN 290 Ca 0.61 -0.46 -0.20 0.00 0.21 0.00 0.00 52.86 53.02 1s64 s ASN 290 Cb -0.10 -2.35 -0.12 0.00 -0.55 0.00 0.00 41.25 38.12 1s64 s ASN 290 CO 0.44 -0.95 1.42 -0.26 -2.79 0.00 0.00 177.10 174.96 1s64 h PHE 291 N 9.04 0.39 -0.34 0.43 0.05 -1.95 -3.21 116.94 121.36 1s64 h PHE 291 Ca -0.26 -0.09 0.05 0.00 3.82 0.00 0.00 57.97 61.49 1s64 h PHE 291 Cb 1.09 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 38.90 1s64 h PHE 291 CO 0.79 0.64 0.08 1.49 -0.18 0.00 0.00 178.31 181.13 1s64 h GLU 292 N 0.03 0.20 -0.17 1.51 4.22 -1.97 -0.12 114.58 118.28 1s64 h GLU 292 Ca 0.04 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.39 1s64 h GLU 292 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1s64 h GLU 292 CO 0.02 0.13 -0.23 0.87 -2.18 0.00 0.00 179.01 177.62 1s64 h LYS 293 N 0.21 0.30 0.01 1.92 1.57 -1.85 0.18 116.57 118.90 1s64 h LYS 293 Ca 0.16 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1s64 h LYS 293 Cb 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1s64 h LYS 293 CO -0.19 0.52 -0.00 -0.97 -0.57 0.00 0.00 179.45 178.24 1s64 h ASN 294 N 0.27 -0.01 -0.55 0.86 -1.24 -1.09 -2.15 115.58 111.67 1s64 h ASN 294 Ca 0.04 -0.48 0.02 0.00 0.71 0.00 0.00 56.30 56.60 1s64 h ASN 294 Cb 0.57 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.58 1s64 h ASN 294 CO 0.04 0.48 0.34 -0.09 -1.29 0.00 0.00 177.43 176.91 1s64 h ARG 295 N -0.49 0.65 -0.73 6.67 2.43 -0.88 -0.93 114.38 121.10 1s64 h ARG 295 Ca -0.00 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1s64 h ARG 295 Cb 0.49 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1s64 h ARG 295 CO 0.00 0.43 0.45 -0.97 -1.51 0.00 0.00 179.97 178.37 1s64 h ASN 296 N 0.67 0.73 0.04 -3.80 -1.24 -0.96 -1.24 115.58 109.78 1s64 h ASN 296 Ca 0.22 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 1s64 h ASN 296 Cb 0.01 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.91 1s64 h ASN 296 CO -0.09 0.49 -0.02 0.22 -1.29 0.00 0.00 177.43 176.74 1s64 h TYR 297 N 0.86 -0.05 -0.18 0.67 3.20 -0.77 -1.97 116.97 118.73 1s64 h TYR 297 Ca 0.30 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.22 1s64 h TYR 297 Cb 0.06 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1s64 h TYR 297 CO -0.04 0.22 -0.16 0.82 -1.64 0.00 0.00 178.16 177.36 1s64 h ILE 298 N -0.31 0.57 0.00 1.81 2.04 -0.96 -1.07 117.51 119.59 1s64 h ILE 298 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1s64 h ILE 298 Cb 0.28 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1s64 h ILE 298 CO 0.01 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 178.00 1s64 h LEU 299 N -0.17 0.00 -0.23 1.44 3.38 -1.22 -1.10 115.31 117.41 1s64 h LEU 299 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1s64 h LEU 299 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1s64 h LEU 299 CO -0.28 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 176.79 1s64 n SER 300 N -4.14 0.25 -1.20 -0.43 3.41 -0.42 -1.89 113.62 109.20 1s64 n SER 300 Ca -0.03 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 1s64 n SER 300 Cb 0.17 -0.61 0.29 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.78 0.98 -2.48 6.66 -2.24 -0.42 -4.28 114.28 110.73 1s64 n THR 301 Ca 0.03 -0.99 -0.40 0.00 -2.27 0.00 0.00 64.05 60.42 1s64 n THR 301 Cb 0.21 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.02 4.63 -0.55 -0.78 0.74 -0.79 -0.79 119.66 121.09 1s64 s GLN 302 Ca 0.43 1.79 -0.18 0.00 0.05 0.00 0.00 55.36 57.45 1s64 s GLN 302 Cb 0.23 -3.21 0.10 0.00 1.10 0.00 0.00 33.01 31.22 1s64 s GLN 302 CO 0.30 0.17 0.60 0.34 -0.55 0.00 0.00 175.29 176.15 1s64 s ASP 303 N -0.66 6.19 0.46 6.67 -1.08 -0.66 -4.87 116.67 122.72 1s64 s ASP 303 Ca 0.46 -1.40 0.31 0.00 -0.52 0.00 0.00 52.55 51.40 1s64 s ASP 303 Cb -0.31 -2.26 1.51 0.00 -1.46 0.00 0.00 42.92 40.39 1s64 s ASP 303 CO 0.39 -0.96 1.94 0.03 0.52 0.00 0.00 175.17 177.10 1s64 h ARG 304 N 9.03 0.00 0.00 4.34 3.08 -1.88 0.18 114.38 129.13 1s64 h ARG 304 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 1s64 h ARG 304 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1s64 h ARG 304 CO 1.03 0.00 -0.96 -0.11 -1.07 0.00 0.00 179.97 178.86 1s64 n LEU 305 N -2.68 1.85 0.02 3.04 -0.00 -1.26 -4.62 117.00 113.35 1s64 n LEU 305 Ca -0.00 0.52 0.11 0.00 -0.00 0.00 0.00 56.01 56.63 1s64 n LEU 305 Cb 0.16 -0.89 -0.03 0.00 -0.00 0.00 0.00 43.42 42.65 1s64 n LEU 305 CO 0.19 -0.11 -0.13 1.33 -0.00 0.00 0.00 177.39 178.67 1s64 n VAL 306 N -4.51 0.12 -0.21 1.96 0.24 -1.24 -5.09 118.33 109.59 1s64 n VAL 306 Ca -0.20 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1s64 n VAL 306 Cb 0.48 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 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 1.37 -3.32 0.41 7.63 0.00 0.63 -4.50 105.19 107.42 1s64 n GLY 307 Ca 0.01 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.36 -1.73 3.30 -0.02 0.00 -1.26 -4.27 105.19 100.85 1s64 n GLY 308 Ca 0.00 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.76 1.74 0.55 1.61 0.40 -1.26 -1.65 117.98 117.62 1s64 s PHE 309 Ca 0.00 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1s64 s PHE 309 Cb 0.00 -0.90 0.04 0.00 0.51 0.00 0.00 43.02 42.67 1s64 s PHE 309 CO 0.00 0.26 0.41 0.00 0.70 0.00 0.00 175.22 176.59 1s64 s ALA 310 N -1.76 4.47 0.04 5.36 0.00 0.03 -2.68 121.76 127.21 1s64 s ALA 310 Ca 0.12 -1.22 0.10 0.00 0.00 0.00 0.00 51.96 50.95 1s64 s ALA 310 Cb -0.07 -0.73 -0.18 0.00 0.00 0.00 0.00 23.12 22.14 1s64 s ALA 310 CO 0.05 -0.46 1.14 1.57 0.00 0.00 0.00 175.76 178.06 1s64 h LYS 311 N 0.72 0.00 -5.07 0.00 2.10 -1.87 -3.41 116.57 109.05 1s64 h LYS 311 Ca -0.36 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.96 1s64 h LYS 311 Cb 1.31 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.48 1s64 h LYS 311 CO 0.57 0.80 -0.72 -1.58 -2.00 0.00 0.00 179.45 176.52 1s64 s TRP 312 N -2.72 1.24 0.56 0.07 0.51 -1.26 -1.89 118.94 115.44 1s64 s TRP 312 Ca -0.00 -0.74 -0.20 0.00 -2.12 0.00 0.00 56.10 53.04 1s64 s TRP 312 Cb 0.09 -0.64 -0.05 0.00 -0.81 0.00 0.00 33.47 32.07 1s64 s TRP 312 CO 0.81 0.07 1.25 -1.25 -0.51 0.00 0.00 176.95 177.32 1s64 s PRO 313 N -3.57 3.15 -1.51 4.98 0.04 -1.26 -2.87 135.00 133.97 1s64 s PRO 313 Ca 0.15 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 63.08 1s64 s PRO 313 Cb 0.01 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1s64 s PRO 313 CO 0.00 -1.10 0.67 -0.25 0.04 0.00 0.00 177.00 176.36 1s64 n ASP 314 N -1.23 -5.83 -4.46 6.66 8.00 -1.26 -4.98 116.55 113.44 1s64 n ASP 314 Ca 0.12 -0.34 -0.23 0.00 0.71 0.00 0.00 54.79 55.05 1s64 n ASP 314 Cb 0.48 -4.71 -0.10 0.00 -0.02 0.00 0.00 41.12 36.77 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 -2.79 3.09 0.11 -2.24 0.15 -1.14 -5.11 113.70 105.77 1s64 s SER 315 Ca 0.36 -1.17 -0.30 0.00 0.70 0.00 0.00 55.95 55.53 1s64 s SER 315 Cb -0.16 -0.23 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 1s64 s SER 315 CO 0.44 -0.27 1.19 -1.00 1.20 0.00 0.00 173.24 174.80 1s64 s HIS 316 N -2.86 3.45 0.58 3.44 0.09 -1.26 -4.69 115.29 114.04 1s64 s HIS 316 Ca 0.30 1.37 -0.14 0.00 -0.00 0.00 0.00 55.06 56.59 1s64 s HIS 316 Cb 0.02 -3.41 -0.05 0.00 -0.00 0.00 0.00 32.58 29.14 1s64 s HIS 316 CO 0.13 -1.19 1.01 -1.25 -0.00 0.00 0.00 174.74 173.45 1s64 s PRO 317 N 0.50 3.68 0.17 8.40 0.04 -1.26 -4.57 135.00 141.96 1s64 s PRO 317 Ca 0.56 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 1s64 s PRO 317 Cb -0.30 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1s64 s PRO 317 CO 0.32 -0.50 0.27 0.16 0.04 0.00 0.00 177.00 177.29 1s64 s ASP 318 N -3.54 0.06 0.21 6.66 1.47 -1.09 -4.95 116.67 115.49 1s64 s ASP 318 Ca 0.58 -0.95 -0.10 0.00 1.18 0.00 0.00 52.55 53.26 1s64 s ASP 318 Cb -0.11 0.43 0.21 0.00 -0.34 0.00 0.00 42.92 43.11 1s64 s ASP 318 CO 0.43 -0.90 1.83 0.00 0.68 0.00 0.00 175.17 177.21 1s64 h ALA 319 N 2.55 0.90 0.07 2.11 0.00 -1.97 -1.38 119.26 121.55 1s64 h ALA 319 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s64 h ALA 319 Cb 1.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1s64 h ALA 319 CO 0.48 0.15 -0.03 1.25 0.00 0.00 0.00 179.25 181.10 1s64 h LEU 320 N 0.79 -0.08 -0.97 0.00 6.46 -1.95 -0.87 115.31 118.69 1s64 h LEU 320 Ca 0.29 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1s64 h LEU 320 Cb 0.08 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1s64 h LEU 320 CO -0.13 -0.02 -0.27 0.45 -0.62 0.00 0.00 178.44 177.85 1s64 h HIS 321 N -0.13 0.00 -0.17 1.25 3.86 -1.76 -0.60 115.15 117.59 1s64 h HIS 321 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1s64 h HIS 321 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1s64 h HIS 321 CO -0.06 0.27 -0.15 0.00 0.86 0.00 0.00 177.93 178.84 1s64 h ALA 322 N 1.73 0.25 -0.13 2.45 0.00 -1.02 0.49 119.26 123.03 1s64 h ALA 322 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1s64 h ALA 322 Cb 0.83 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1s64 h ALA 322 CO 0.03 0.13 -0.02 -0.92 0.00 0.00 0.00 179.25 178.48 1s64 h TYR 323 N 0.06 0.28 -0.03 0.00 3.20 -0.94 -1.97 116.97 117.57 1s64 h TYR 323 Ca 0.03 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 1s64 h TYR 323 Cb 0.68 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1s64 h TYR 323 CO 0.08 0.52 -0.51 0.74 -1.64 0.00 0.00 178.16 177.35 1s64 h PHE 324 N -0.04 0.08 -0.56 -3.82 -1.00 -1.16 -0.66 116.94 109.78 1s64 h PHE 324 Ca 0.04 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 1s64 h PHE 324 Cb 0.42 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 1s64 h PHE 324 CO 0.05 0.56 0.13 0.78 -1.61 0.00 0.00 178.31 178.22 1s64 h GLY 325 N 1.48 0.97 0.97 -1.45 0.00 -0.82 0.22 103.07 104.43 1s64 h GLY 325 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1s64 h GLY 325 CO 0.07 0.57 0.04 -2.22 0.00 0.00 0.00 176.54 174.99 1s64 h ILE 326 N 0.80 1.25 -0.05 2.60 2.04 -1.00 -1.32 117.51 121.83 1s64 h ILE 326 Ca 0.17 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1s64 h ILE 326 Cb 0.35 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1s64 h ILE 326 CO 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 178.15 178.17 1s64 h GLY 328 N 1.03 0.57 1.05 0.00 0.00 -0.13 -1.52 103.07 104.07 1s64 h GLY 328 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1s64 h GLY 328 CO 0.05 0.36 0.52 1.41 0.00 0.00 0.00 176.54 178.88 1s64 h LEU 329 N 0.35 1.11 -1.30 3.11 4.07 -0.81 -2.47 115.31 119.38 1s64 h LEU 329 Ca 0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1s64 h LEU 329 Cb 0.37 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1s64 h LEU 329 CO 0.01 0.87 0.27 -1.28 -1.08 0.00 0.00 178.44 177.23 1s64 h SER 330 N 1.26 0.67 -0.20 -0.43 0.87 -0.61 -1.54 113.55 113.57 1s64 h SER 330 Ca 0.32 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1s64 h SER 330 Cb -0.01 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1s64 h SER 330 CO -0.06 0.57 0.15 -0.07 -0.53 0.00 0.00 176.83 176.88 1s64 h LEU 331 N 0.76 0.01 -0.86 2.23 4.07 -0.79 -0.35 115.31 120.37 1s64 h LEU 331 Ca 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1s64 h LEU 331 Cb 0.06 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1s64 h LEU 331 CO -0.03 0.00 -0.53 0.23 -1.08 0.00 0.00 178.44 177.04 1s64 n MET 332 N -4.48 1.13 -0.30 1.13 2.81 -0.82 -5.06 117.12 111.53 1s64 n MET 332 Ca 0.02 -0.85 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 1s64 n MET 332 Cb 0.28 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.22 -0.85 -3.72 0.03 1.02 -0.14 -5.09 120.64 111.67 1s64 n GLU 333 Ca 0.08 0.62 -0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1s64 n GLU 333 Cb 0.44 -0.69 -0.10 0.00 -0.02 0.00 0.00 31.44 31.07 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 -4.43 0.46 0.20 3.49 2.56 -1.26 -4.83 118.70 114.89 1s64 s GLU 334 Ca 0.00 0.67 -0.33 0.00 0.00 0.00 0.00 54.97 55.31 1s64 s GLU 334 Cb 0.00 0.15 -0.13 0.00 2.00 0.00 0.00 34.13 36.14 1s64 s GLU 334 CO 0.00 -0.10 1.55 0.43 -0.56 0.00 0.00 175.26 176.59 1s64 n SER 335 N 3.37 3.16 0.00 -1.70 7.64 -1.26 -1.80 113.62 123.04 1s64 n SER 335 Ca -0.17 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1s64 n SER 335 Cb 0.56 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1s64 n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s64 n GLY 336 N 3.05 0.89 3.24 0.23 0.00 -1.26 -5.04 105.19 106.31 1s64 n GLY 336 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.88 1.81 0.62 -0.61 1.01 -0.74 -4.53 121.20 115.89 1s64 s ILE 337 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 1s64 s ILE 337 Cb 0.00 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 1s64 s ILE 337 CO 0.00 0.51 0.98 0.00 0.00 0.00 0.00 174.94 176.43 1s64 s LYS 339 N -5.13 4.35 0.05 0.00 2.20 -1.26 -4.79 119.74 115.16 1s64 s LYS 339 Ca 0.55 1.95 -0.08 0.00 -0.36 0.00 0.00 55.97 58.03 1s64 s LYS 339 Cb -0.11 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1s64 s LYS 339 CO 0.49 -0.40 0.34 0.54 -0.36 0.00 0.00 175.35 175.97 1s64 s VAL 340 N 1.30 5.18 -0.50 4.02 0.11 -1.26 -0.69 120.40 128.57 1s64 s VAL 340 Ca 0.62 0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 59.74 1s64 s VAL 340 Cb -0.33 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1s64 s VAL 340 CO 0.29 0.31 0.88 -2.28 -3.33 0.00 0.00 175.10 170.97 1s64 s HIS 341 N -1.37 2.89 0.31 1.54 2.46 0.80 -4.75 115.29 117.17 1s64 s HIS 341 Ca 0.31 0.14 0.07 0.00 0.47 0.00 0.00 55.06 56.05 1s64 s HIS 341 Cb -0.14 -3.92 0.82 0.00 -0.13 0.00 0.00 32.58 29.22 1s64 s HIS 341 CO 0.18 -1.17 1.74 -1.00 -2.47 0.00 0.00 174.74 172.01 1s64 h PRO 342 N 9.14 0.58 0.14 2.88 0.13 -1.93 -0.04 132.00 142.91 1s64 h PRO 342 Ca -0.25 -0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.51 1s64 h PRO 342 Cb 1.08 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1s64 h PRO 342 CO 1.03 0.38 -1.69 0.00 -0.23 0.00 0.00 178.00 177.49 1s64 h ALA 343 N 1.70 0.27 0.00 -0.56 0.00 -1.92 -3.36 119.26 115.39 1s64 h ALA 343 Ca 0.61 -1.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1s64 h ALA 343 Cb 1.11 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1s64 h ALA 343 CO -0.46 1.14 -0.41 1.25 0.00 0.00 0.00 179.25 180.77 1s64 h LEU 344 N 0.08 0.00 -1.13 0.00 5.85 -1.92 -3.47 115.31 114.72 1s64 h LEU 344 Ca -0.31 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.15 1s64 h LEU 344 Cb 2.06 0.00 0.10 0.00 0.37 0.00 0.00 40.66 43.19 1s64 h LEU 344 CO 0.16 0.12 -0.48 -3.20 -0.34 0.00 0.00 178.44 174.70 1s64 n ASN 345 N -3.01 -4.17 -3.91 1.25 5.15 -0.04 -5.03 115.26 105.51 1s64 n ASN 345 Ca 0.02 -0.38 -0.08 0.00 -0.60 0.00 0.00 54.58 53.54 1s64 n ASN 345 Cb 0.59 -3.58 -0.08 0.00 -0.53 0.00 0.00 39.78 36.18 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 -3.22 0.16 0.72 3.44 -7.23 -1.23 -4.97 120.40 108.06 1s64 s VAL 346 Ca 0.29 -1.32 -0.16 0.00 -1.81 0.00 0.00 61.98 58.98 1s64 s VAL 346 Cb -0.13 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.45 1s64 s VAL 346 CO 0.49 -0.73 1.10 -1.54 -0.31 0.00 0.00 175.10 174.11 1s64 n SER 347 N -0.02 1.01 0.21 4.85 3.41 -1.26 -0.14 113.62 121.68 1s64 n SER 347 Ca -0.15 0.70 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 1s64 n SER 347 Cb 0.62 -1.47 0.46 0.00 -0.26 0.00 0.00 64.21 63.57 1s64 n SER 347 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1s64 h THR 348 N -0.15 1.14 -0.37 6.66 1.35 -1.20 -1.53 112.91 118.81 1s64 h THR 348 Ca -0.48 -0.85 0.04 0.00 -0.55 0.00 0.00 66.41 64.57 1s64 h THR 348 Cb 1.33 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.17 1s64 h THR 348 CO 0.48 0.24 0.13 -0.09 -0.25 0.00 0.00 175.52 176.03 1s64 h ARG 349 N 0.00 0.27 -0.26 4.72 2.43 -1.90 -0.10 114.38 119.53 1s64 h ARG 349 Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1s64 h ARG 349 Cb 0.44 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1s64 h ARG 349 CO 0.03 0.18 0.08 1.15 -1.51 0.00 0.00 179.97 179.90 1s64 h THR 350 N 0.28 1.20 0.00 0.20 2.02 -1.66 -0.92 112.91 114.02 1s64 h THR 350 Ca 0.17 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1s64 h THR 350 Cb 0.15 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1s64 h THR 350 CO -0.18 0.21 -0.14 0.77 0.37 0.00 0.00 175.52 176.56 1s64 h SER 351 N 0.26 0.00 0.72 4.18 4.64 -0.96 0.75 113.55 123.14 1s64 h SER 351 Ca 0.08 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.15 1s64 h SER 351 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1s64 h SER 351 CO -0.00 0.14 -1.25 -0.33 -0.87 0.00 0.00 176.83 174.52 1s64 h GLU 352 N 0.00 0.15 -0.69 4.77 5.08 -0.79 -1.79 114.58 121.31 1s64 h GLU 352 Ca -0.00 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1s64 h GLU 352 Cb 0.33 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1s64 h GLU 352 CO 0.02 1.06 0.22 -0.09 -1.00 0.00 0.00 179.01 179.22 1s64 h ARG 353 N 0.04 1.06 -0.05 2.33 1.12 -0.28 -1.21 114.38 117.39 1s64 h ARG 353 Ca -0.12 -0.21 -0.10 0.00 -1.11 0.00 0.00 59.98 58.44 1s64 h ARG 353 Cb 1.91 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.70 1s64 h ARG 353 CO 0.16 0.90 -0.41 1.25 -3.11 0.00 0.00 179.97 178.75 1s64 h LEU 354 N 1.02 0.12 -0.61 3.80 5.85 -0.83 -2.03 115.31 122.63 1s64 h LEU 354 Ca 0.22 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1s64 h LEU 354 Cb 0.28 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1s64 h LEU 354 CO -0.01 0.53 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.41 1s64 h ARG 355 N 0.10 0.98 0.23 1.25 9.65 -0.36 -1.73 114.38 124.49 1s64 h ARG 355 Ca 0.01 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.52 1s64 h ARG 355 Cb 0.78 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1s64 h ARG 355 CO 0.06 1.03 -0.11 -0.44 2.80 0.00 0.00 179.97 183.31 1s64 h ASP 356 N 0.87 -0.26 -0.78 -3.80 3.32 -0.92 -2.16 116.42 112.69 1s64 h ASP 356 Ca 0.13 -0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.23 1s64 h ASP 356 Cb 0.67 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.19 1s64 h ASP 356 CO 0.05 -0.04 0.29 -0.07 -1.72 0.00 0.00 179.24 177.75 1s64 h LEU 357 N -0.48 0.22 -0.56 1.55 3.38 -1.28 -0.34 115.31 117.81 1s64 h LEU 357 Ca -0.03 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1s64 h LEU 357 Cb 0.36 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1s64 h LEU 357 CO 0.05 0.05 0.27 0.45 0.09 0.00 0.00 178.44 179.36 1s64 h HIS 358 N 0.39 0.79 -0.32 1.13 3.86 -1.15 -1.87 115.15 117.99 1s64 h HIS 358 Ca 0.44 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 1s64 h HIS 358 Cb 0.73 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 1s64 h HIS 358 CO -0.19 0.61 0.18 1.96 0.86 0.00 0.00 177.93 181.35 1s64 h GLN 359 N 0.75 0.45 0.00 2.45 7.50 -0.46 -2.39 115.11 123.41 1s64 h GLN 359 Ca 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.26 1s64 h GLN 359 Cb 0.11 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.54 1s64 h GLN 359 CO -0.03 0.37 -0.14 0.66 -1.50 0.00 0.00 178.83 178.20 1s64 h SER 360 N 0.41 0.00 0.77 1.46 4.64 -0.92 -1.75 113.55 118.15 1s64 h SER 360 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 1s64 h SER 360 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1s64 h SER 360 CO -0.02 0.14 -0.72 -0.50 -0.87 0.00 0.00 176.83 174.86 1s64 h TRP 361 N 0.00 0.00 0.00 4.77 6.55 -0.91 -3.07 115.95 123.29 1s64 h TRP 361 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1s64 h TRP 361 Cb 0.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1s64 h TRP 361 CO 0.00 0.72 0.00 1.63 -1.05 0.00 0.00 178.44 179.74 1s64 n LYS 362 N -3.63 0.53 0.00 0.49 4.01 -0.66 -5.12 118.16 113.79 1s64 n LYS 362 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1s64 n LYS 362 Cb 0.72 -1.11 0.00 0.00 -0.51 0.00 0.00 35.03 34.12 1s64 n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54