#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 3.27 -0.34 -1.43 3.84 -1.26 -5.11 116.67 115.63 1s64 s ASP 19 Ca 0.00 -1.17 -0.20 0.00 -0.00 0.00 0.00 52.55 51.18 1s64 s ASP 19 Cb 0.00 -0.26 -0.00 0.00 -1.38 0.00 0.00 42.92 41.28 1s64 s ASP 19 CO 0.00 -0.24 0.61 0.12 -0.00 0.00 0.00 175.17 175.67 1s64 s PHE 20 N -2.78 3.17 -1.12 2.11 5.36 -1.26 -4.97 117.98 118.49 1s64 s PHE 20 Ca 0.31 0.36 -0.08 0.00 -0.96 0.00 0.00 56.93 56.56 1s64 s PHE 20 Cb 0.02 -3.07 -0.12 0.00 -0.34 0.00 0.00 43.02 39.51 1s64 s PHE 20 CO 0.14 -0.58 2.92 1.28 -1.46 0.00 0.00 175.22 177.52 1s64 n LEU 21 N 5.96 7.19 -0.33 6.12 4.32 -1.26 -4.78 117.00 134.21 1s64 n LEU 21 Ca -0.02 -3.78 -0.03 0.00 -0.02 0.00 0.00 56.01 52.16 1s64 n LEU 21 Cb 0.49 -1.42 0.02 0.00 -1.62 0.00 0.00 43.42 40.89 1s64 n LEU 21 CO 0.48 1.70 0.59 -0.09 -1.22 0.00 0.00 177.39 178.85 1s64 h ARG 22 N 4.80 -0.05 -0.81 3.23 2.43 -1.99 -1.16 114.38 120.84 1s64 h ARG 22 Ca 0.65 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.84 1s64 h ARG 22 Cb 0.52 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 1s64 h ARG 22 CO 1.37 -0.03 0.52 -0.44 -1.51 0.00 0.00 179.97 179.88 1s64 h ASP 23 N -0.05 0.88 -0.83 -3.80 3.32 -2.00 -1.54 116.42 112.40 1s64 h ASP 23 Ca 0.31 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1s64 h ASP 23 Cb 0.58 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1s64 h ASP 23 CO -0.90 0.62 0.48 -0.09 -1.72 0.00 0.00 179.24 177.62 1s64 h ARG 24 N 1.03 1.14 -0.08 3.56 9.65 -1.64 -1.92 114.38 126.12 1s64 h ARG 24 Ca 0.31 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.99 1s64 h ARG 24 Cb -0.04 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.30 1s64 h ARG 24 CO -0.10 0.82 -0.34 0.45 2.80 0.00 0.00 179.97 183.60 1s64 h HIS 25 N 1.15 0.18 -0.27 2.20 3.86 -0.87 -0.45 115.15 120.95 1s64 h HIS 25 Ca 0.30 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1s64 h HIS 25 Cb -0.01 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1s64 h HIS 25 CO 0.00 0.49 0.00 0.28 0.86 0.00 0.00 177.93 179.56 1s64 h VAL 26 N 0.14 1.26 -0.81 2.45 2.07 -0.68 -1.73 116.25 118.94 1s64 h VAL 26 Ca 0.02 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1s64 h VAL 26 Cb 0.68 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1s64 h VAL 26 CO 0.05 0.29 0.34 0.03 0.02 0.00 0.00 177.57 178.30 1s64 h ARG 27 N 0.26 1.20 -0.38 1.57 3.08 -1.08 -1.17 114.38 117.87 1s64 h ARG 27 Ca 0.08 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1s64 h ARG 27 Cb 0.42 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1s64 h ARG 27 CO 0.01 0.96 0.14 0.35 -1.07 0.00 0.00 179.97 180.37 1s64 h PHE 28 N 1.18 0.26 -0.11 3.04 3.57 -0.85 -0.58 116.94 123.45 1s64 h PHE 28 Ca 0.27 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1s64 h PHE 28 Cb 0.19 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1s64 h PHE 28 CO 0.02 0.11 -0.34 0.74 -2.23 0.00 0.00 178.31 176.61 1s64 h PHE 29 N 0.30 0.24 -0.34 0.41 0.05 -0.97 -2.25 116.94 114.38 1s64 h PHE 29 Ca 0.17 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.87 1s64 h PHE 29 Cb 0.14 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 1s64 h PHE 29 CO -0.14 0.53 0.09 1.96 -0.18 0.00 0.00 178.31 180.57 1s64 h GLN 30 N 0.19 0.55 -0.36 1.51 4.20 -0.33 -2.42 115.11 118.43 1s64 h GLN 30 Ca 0.02 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1s64 h GLN 30 Cb 0.69 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1s64 h GLN 30 CO 0.05 0.60 0.22 0.00 -0.67 0.00 0.00 178.83 179.02 1s64 h ARG 31 N 0.40 0.49 -0.23 1.46 3.08 -0.80 -1.62 114.38 117.16 1s64 h ARG 31 Ca 0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1s64 h ARG 31 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1s64 h ARG 31 CO 0.00 0.35 0.02 0.00 -1.07 0.00 0.00 179.97 179.27 1s64 n LEU 33 N -4.37 0.15 0.00 0.00 7.99 -0.62 -4.77 117.00 115.37 1s64 n LEU 33 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 1s64 n LEU 33 Cb 0.18 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 1s64 n LEU 33 CO 0.37 0.03 0.00 0.00 -1.51 0.00 0.00 177.39 176.28 1s64 n GLN 34 N -1.35 0.00 -5.08 3.23 6.02 -0.54 -5.07 117.38 114.59 1s64 n GLN 34 Ca 0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 1s64 n GLN 34 Cb 0.30 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.41 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 1.16 1.73 0.11 5.09 1.01 -1.25 -5.12 120.40 123.12 1s64 s VAL 35 Ca 0.00 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1s64 s VAL 35 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1s64 s VAL 35 CO 0.00 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.62 1s64 s LEU 36 N -0.47 2.58 0.69 3.92 1.43 -1.26 -4.97 118.68 120.61 1s64 s LEU 36 Ca 0.07 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1s64 s LEU 36 Cb -0.09 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1s64 s LEU 36 CO -0.00 0.19 1.13 -2.84 0.23 0.00 0.00 176.35 175.06 1s64 s PRO 37 N -2.00 2.54 0.28 1.29 0.02 -1.26 -4.88 135.00 130.99 1s64 s PRO 37 Ca 0.16 1.46 0.17 0.00 0.02 0.00 0.00 61.00 62.82 1s64 s PRO 37 Cb -0.10 -1.91 0.93 0.00 0.02 0.00 0.00 34.50 33.44 1s64 s PRO 37 CO 0.08 -1.46 1.50 -1.91 -0.33 0.00 0.00 177.00 174.88 1s64 n GLU 38 N -2.64 0.11 0.00 5.54 2.13 -1.26 -1.26 120.64 123.27 1s64 n GLU 38 Ca 0.11 0.60 0.06 0.00 0.66 0.00 0.00 57.16 58.59 1s64 n GLU 38 Cb 0.52 -1.94 0.28 0.00 0.27 0.00 0.00 31.44 30.57 1s64 n GLU 38 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1s64 n ARG 39 N -2.11 0.14 -0.46 5.31 1.85 -1.26 -1.82 116.66 118.31 1s64 n ARG 39 Ca -0.01 0.19 0.08 0.00 -1.00 0.00 0.00 57.85 57.11 1s64 n ARG 39 Cb 0.10 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.27 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 -1.31 1.04 -0.25 2.89 4.02 -0.38 -4.70 117.16 118.47 1s64 n TYR 40 Ca 0.05 -0.74 0.22 0.00 -0.01 0.00 0.00 57.90 57.42 1s64 n TYR 40 Cb 0.09 -0.26 0.55 0.00 -0.02 0.00 0.00 39.34 39.70 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 2.43 0.34 0.15 7.72 4.64 -1.56 -0.68 113.55 126.59 1s64 h SER 41 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1s64 h SER 41 Cb 1.35 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1s64 h SER 41 CO 0.21 0.12 0.00 -1.54 -0.87 0.00 0.00 176.83 174.75 1s64 n SER 42 N -4.49 0.00 -0.30 4.97 3.41 -1.26 -1.42 113.62 114.54 1s64 n SER 42 Ca 0.20 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 1s64 n SER 42 Cb 0.79 -0.28 0.20 0.00 -0.26 0.00 0.00 64.21 64.65 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 -1.28 1.33 -0.25 1.04 4.77 -0.26 -4.58 117.00 117.77 1s64 n LEU 43 Ca 0.04 -0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 55.46 1s64 n LEU 43 Cb 0.06 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1s64 n LEU 43 CO 0.06 0.26 0.49 -0.08 -1.33 0.00 0.00 177.39 176.79 1s64 h GLU 44 N 1.46 -0.23 0.00 3.23 4.57 -1.40 -0.20 114.58 122.01 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 0.59 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1s64 h GLU 44 CO 0.00 -0.15 0.00 0.25 -1.18 0.00 0.00 179.01 177.93 1s64 n THR 45 N -5.33 0.00 -2.52 0.32 -2.24 -1.26 -2.89 114.28 100.36 1s64 n THR 45 Ca -0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1s64 n THR 45 Cb 0.31 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.60 0.72 0.17 3.42 3.41 -0.15 -4.09 113.62 116.50 1s64 n SER 46 Ca 0.03 -2.02 0.06 0.00 -0.26 0.00 0.00 58.87 56.68 1s64 n SER 46 Cb 0.01 -0.20 0.52 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.22 0.16 -0.43 4.33 3.08 -1.23 -2.10 114.38 119.41 1s64 h ARG 47 Ca -0.27 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1s64 h ARG 47 Cb 1.66 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.66 1s64 h ARG 47 CO 0.05 0.18 0.16 1.25 -1.07 0.00 0.00 179.97 180.54 1s64 h LEU 48 N 0.16 0.55 -0.51 3.04 5.85 -1.55 -0.19 115.31 122.65 1s64 h LEU 48 Ca 0.04 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1s64 h LEU 48 Cb 0.12 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1s64 h LEU 48 CO 0.00 0.50 -0.39 0.71 -0.34 0.00 0.00 178.44 178.93 1s64 h THR 49 N 0.60 0.76 -0.19 1.05 1.35 -1.68 -1.15 112.91 113.66 1s64 h THR 49 Ca 0.15 -1.73 -0.20 0.00 -0.55 0.00 0.00 66.41 64.07 1s64 h THR 49 Cb 0.13 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1s64 h THR 49 CO -0.01 0.38 -0.68 0.40 -0.25 0.00 0.00 175.52 175.35 1s64 h ILE 50 N 0.00 1.29 -0.68 6.82 1.08 -1.16 -1.65 117.51 123.21 1s64 h ILE 50 Ca -0.00 -1.90 -0.02 0.00 -0.39 0.00 0.00 64.86 62.54 1s64 h ILE 50 Cb 1.09 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.68 1s64 h ILE 50 CO 0.05 0.60 0.35 0.00 -0.69 0.00 0.00 178.15 178.46 1s64 h ALA 51 N 0.68 0.88 0.00 1.87 0.00 -0.86 -1.74 119.26 120.09 1s64 h ALA 51 Ca -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s64 h ALA 51 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1s64 h ALA 51 CO 0.14 0.42 -0.13 0.35 0.00 0.00 0.00 179.25 180.02 1s64 h PHE 52 N 0.94 -0.34 -0.98 0.00 3.57 -0.99 0.37 116.94 119.52 1s64 h PHE 52 Ca 0.24 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1s64 h PHE 52 Cb 0.08 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1s64 h PHE 52 CO 0.00 -0.20 0.63 0.74 -2.23 0.00 0.00 178.31 177.26 1s64 h PHE 53 N -0.22 1.18 -0.03 0.41 0.05 -1.02 0.25 116.94 117.56 1s64 h PHE 53 Ca 0.05 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 1s64 h PHE 53 Cb 0.28 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.84 1s64 h PHE 53 CO -0.19 0.63 -0.06 0.00 -0.18 0.00 0.00 178.31 178.51 1s64 h ALA 54 N 1.43 0.04 0.07 2.45 0.00 -0.79 -0.91 119.26 121.55 1s64 h ALA 54 Ca 0.42 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s64 h ALA 54 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s64 h ALA 54 CO -0.16 -0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 178.87 1s64 h LEU 55 N -0.47 -0.08 -1.53 0.00 3.38 -0.08 0.15 115.31 116.67 1s64 h LEU 55 Ca -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1s64 h LEU 55 Cb 0.66 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1s64 h LEU 55 CO 0.01 0.23 -0.16 -1.28 0.09 0.00 0.00 178.44 177.34 1s64 h SER 56 N -0.40 0.10 -0.38 -0.43 0.87 -0.63 0.21 113.55 112.88 1s64 h SER 56 Ca -0.01 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 1s64 h SER 56 Cb 0.35 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1s64 h SER 56 CO 0.02 0.27 -0.30 1.23 -0.53 0.00 0.00 176.83 177.51 1s64 h GLY 57 N 0.64 0.96 0.92 5.77 0.00 -0.92 0.37 103.07 110.81 1s64 h GLY 57 Ca 0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 47.33 46.33 1s64 h GLY 57 CO 0.02 0.85 -0.09 1.41 0.00 0.00 0.00 176.54 178.73 1s64 h LEU 58 N 0.69 0.64 -0.41 3.11 3.38 0.16 -2.21 115.31 120.67 1s64 h LEU 58 Ca 0.07 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1s64 h LEU 58 Cb 0.88 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1s64 h LEU 58 CO 0.08 0.87 0.13 -0.78 0.09 0.00 0.00 178.44 178.82 1s64 h ASP 59 N 0.41 0.11 0.04 -0.43 -0.00 -0.53 0.13 116.42 116.15 1s64 h ASP 59 Ca 0.08 0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1s64 h ASP 59 Cb 0.59 0.05 -0.00 0.00 -0.00 0.00 0.00 39.33 39.97 1s64 h ASP 59 CO 0.03 0.10 -0.01 -0.03 -0.00 0.00 0.00 179.24 179.33 1s64 h MET 60 N 0.28 0.00 -0.28 0.28 4.05 -0.71 0.42 114.93 118.97 1s64 h MET 60 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1s64 h MET 60 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1s64 h MET 60 CO -0.21 0.01 0.00 1.28 0.23 0.00 0.00 176.91 178.22 1s64 n LEU 61 N -3.87 3.31 -3.48 3.39 4.77 -0.12 -0.86 117.00 120.14 1s64 n LEU 61 Ca -0.03 -1.36 -0.19 0.00 -0.03 0.00 0.00 56.01 54.40 1s64 n LEU 61 Cb 0.10 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1s64 n LEU 61 CO 0.28 0.67 0.12 -0.67 -1.33 0.00 0.00 177.39 176.46 1s64 n ASP 62 N 1.43 -2.73 -1.07 -1.43 2.03 0.25 -4.94 116.55 110.10 1s64 n ASP 62 Ca 0.18 -0.62 0.05 0.00 0.52 0.00 0.00 54.79 54.91 1s64 n ASP 62 Cb 0.60 -5.02 0.09 0.00 -0.72 0.00 0.00 41.12 36.07 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 -3.10 1.23 0.23 1.67 7.64 -0.21 -4.84 113.62 116.23 1s64 n SER 63 Ca -0.24 -2.69 0.16 0.00 1.01 0.00 0.00 58.87 57.11 1s64 n SER 63 Cb 0.65 -0.38 0.78 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.89 0.00 -1.90 -3.43 3.38 -1.90 -2.60 115.31 109.74 1s64 h LEU 64 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 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 0.06 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.35 1s64 h ASP 65 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -2.74 116.42 113.33 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 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1s64 h ASP 65 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 1s64 n VAL 66 N -2.89 0.00 -4.21 4.15 0.24 -0.98 -4.80 118.33 109.84 1s64 n VAL 66 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1s64 n VAL 66 Cb 0.18 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.36 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 0.98 -0.81 3.34 -7.23 -1.03 -5.08 120.40 108.56 1s64 s VAL 67 Ca 0.08 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.12 1s64 s VAL 67 Cb 0.04 -1.69 0.12 0.00 0.56 0.00 0.00 36.38 35.40 1s64 s VAL 67 CO 0.06 -0.74 1.00 0.21 -0.31 0.00 0.00 175.10 175.32 1s64 s ASN 68 N -2.97 6.47 0.40 4.85 3.84 -1.26 -4.89 114.94 121.38 1s64 s ASN 68 Ca 0.13 -1.78 0.17 0.00 0.21 0.00 0.00 52.86 51.58 1s64 s ASN 68 Cb 0.02 -2.37 1.06 0.00 -0.55 0.00 0.00 41.25 39.41 1s64 s ASN 68 CO -0.01 -1.11 1.81 0.11 -2.79 0.00 0.00 177.10 175.11 1s64 h LYS 69 N 8.96 0.43 -0.31 0.43 1.57 -1.93 -2.25 116.57 123.46 1s64 h LYS 69 Ca -0.01 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1s64 h LYS 69 Cb 1.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1s64 h LYS 69 CO 1.09 0.28 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.60 1s64 h ASP 70 N 0.44 0.72 -0.22 0.86 3.32 -1.92 -1.48 116.42 118.15 1s64 h ASP 70 Ca 0.53 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1s64 h ASP 70 Cb 1.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1s64 h ASP 70 CO -0.24 1.00 0.07 0.44 -1.72 0.00 0.00 179.24 178.80 1s64 h ASP 71 N 0.45 0.31 -0.74 6.45 3.32 -1.84 -2.70 116.42 121.68 1s64 h ASP 71 Ca 0.06 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1s64 h ASP 71 Cb 0.76 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1s64 h ASP 71 CO 0.06 0.42 0.36 0.40 -1.72 0.00 0.00 179.24 178.77 1s64 h ILE 72 N 0.19 1.24 -0.82 0.35 2.04 -1.49 -1.76 117.51 117.26 1s64 h ILE 72 Ca 0.07 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1s64 h ILE 72 Cb 0.22 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1s64 h ILE 72 CO -0.00 0.28 0.48 0.40 0.00 0.00 0.00 178.15 179.31 1s64 h ILE 73 N 1.07 1.23 -0.43 -0.67 2.04 -1.13 -0.48 117.51 119.15 1s64 h ILE 73 Ca 0.26 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1s64 h ILE 73 Cb 0.11 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1s64 h ILE 73 CO -0.03 0.25 -0.13 -0.33 0.00 0.00 0.00 178.15 177.91 1s64 h GLU 74 N 1.14 0.84 -0.27 2.37 4.39 -1.09 -1.50 114.58 120.45 1s64 h GLU 74 Ca 0.29 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1s64 h GLU 74 Cb -0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1s64 h GLU 74 CO -0.05 0.97 0.15 2.35 -1.16 0.00 0.00 179.01 181.27 1s64 h TRP 75 N 0.67 0.28 -0.45 4.33 7.01 -0.80 -1.35 115.95 125.65 1s64 h TRP 75 Ca 0.10 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.12 1s64 h TRP 75 Cb 0.67 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 1s64 h TRP 75 CO 0.05 0.16 0.29 0.82 -2.79 0.00 0.00 178.44 176.97 1s64 h ILE 76 N 0.31 1.09 0.00 2.65 2.04 -0.97 -1.65 117.51 120.99 1s64 h ILE 76 Ca 0.11 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1s64 h ILE 76 Cb 0.01 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1s64 h ILE 76 CO -0.06 0.11 -0.03 1.88 0.00 0.00 0.00 178.15 180.04 1s64 h TYR 77 N 0.59 0.00 0.00 1.37 0.05 -0.88 0.26 116.97 118.35 1s64 h TYR 77 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1s64 h TYR 77 Cb -0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1s64 h TYR 77 CO -0.05 0.03 0.00 -1.13 -1.05 0.00 0.00 178.16 175.96 1s64 n SER 78 N -3.25 0.26 -0.43 3.88 3.41 -0.54 -2.64 113.62 114.31 1s64 n SER 78 Ca -0.01 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1s64 n SER 78 Cb 0.19 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.76 1.60 -4.71 1.04 4.77 0.08 -4.64 117.00 113.37 1s64 n LEU 79 Ca 0.05 -0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 1s64 n LEU 79 Cb 0.29 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1s64 n LEU 79 CO 0.23 0.29 0.70 -1.58 -1.33 0.00 0.00 177.39 175.69 1s64 s GLN 80 N -2.36 4.55 -0.56 3.23 0.74 -1.08 0.11 119.66 124.29 1s64 s GLN 80 Ca 0.25 1.46 -0.23 0.00 0.05 0.00 0.00 55.36 56.89 1s64 s GLN 80 Cb 0.19 -3.44 0.05 0.00 1.10 0.00 0.00 33.01 30.91 1s64 s GLN 80 CO 0.48 -0.06 0.88 0.08 -0.55 0.00 0.00 175.29 176.12 1s64 s VAL 81 N 0.97 4.48 0.32 1.34 1.01 0.85 -4.90 120.40 124.47 1s64 s VAL 81 Ca 0.52 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 1s64 s VAL 81 Cb -0.22 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 1s64 s VAL 81 CO 0.28 -1.11 0.59 -0.76 0.00 0.00 0.00 175.10 174.10 1s64 s LEU 82 N 3.69 4.01 0.41 3.92 1.43 -1.26 -3.14 118.68 127.74 1s64 s LEU 82 Ca 0.26 0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 53.85 1s64 s LEU 82 Cb -0.15 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1s64 s LEU 82 CO 0.16 -0.25 1.18 -2.16 0.23 0.00 0.00 176.35 175.52 1s64 s PRO 83 N -3.71 3.98 0.92 1.29 0.04 -1.26 -4.45 135.00 131.80 1s64 s PRO 83 Ca 0.44 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1s64 s PRO 83 Cb -0.11 -2.63 0.14 0.00 0.04 0.00 0.00 34.50 31.95 1s64 s PRO 83 CO 0.31 -0.39 1.12 0.95 0.04 0.00 0.00 177.00 179.03 1s64 s THR 84 N -1.42 2.17 0.21 1.26 -4.23 -1.26 -3.19 115.64 109.17 1s64 s THR 84 Ca 0.58 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 1s64 s THR 84 Cb -0.31 -2.74 0.21 0.00 1.34 0.00 0.00 72.50 71.01 1s64 s THR 84 CO 0.39 -0.07 1.61 1.05 -0.54 0.00 0.00 174.62 177.06 1s64 h GLU 85 N -1.54 -0.05 0.00 3.99 9.09 -1.96 0.37 114.58 124.48 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 28.43 1s64 h GLU 85 CO 0.60 -0.04 0.00 -0.40 0.05 0.00 0.00 179.01 179.23 1s64 n ASP 86 N -5.44 0.00 -4.33 3.06 3.85 -1.26 -4.90 116.55 107.53 1s64 n ASP 86 Ca 0.07 -1.60 -0.37 0.00 -0.71 0.00 0.00 54.79 52.18 1s64 n ASP 86 Cb 0.35 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.06 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 -0.68 -1.99 -0.32 0.11 1.74 0.13 -4.83 116.66 110.83 1s64 n ARG 87 Ca 0.08 0.25 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 1s64 n ARG 87 Cb 0.04 -4.70 0.28 0.00 -1.02 0.00 0.00 32.46 27.06 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 -2.65 3.34 -0.87 0.55 3.41 -1.26 -4.20 113.62 111.94 1s64 n SER 88 Ca -0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 58.87 56.66 1s64 n SER 88 Cb 0.52 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.33 1.40 -0.32 4.04 6.94 -1.26 -4.84 115.26 122.54 1s64 n ASN 89 Ca 0.21 -3.03 -0.01 0.00 -0.02 0.00 0.00 54.58 51.73 1s64 n ASN 89 Cb 0.53 -0.42 0.11 0.00 -2.36 0.00 0.00 39.78 37.64 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 0.84 0.96 0.00 -4.53 3.38 -1.95 -1.65 115.31 112.36 1s64 h LEU 90 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1s64 h LEU 90 Cb 1.35 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s64 h LEU 90 CO 0.04 0.66 0.00 0.47 0.09 0.00 0.00 178.44 179.70 1s64 n ASP 91 N -4.52 0.00 -0.02 -0.43 9.92 -1.26 -2.01 116.55 118.23 1s64 n ASP 91 Ca 0.11 0.05 0.01 0.00 -0.53 0.00 0.00 54.79 54.44 1s64 n ASP 91 Cb 0.08 -0.16 0.02 0.00 -0.64 0.00 0.00 41.12 40.42 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 -1.16 2.39 -2.29 -1.24 1.74 -0.62 -4.62 116.66 110.85 1s64 n ARG 92 Ca 0.03 -1.55 -0.30 0.00 -0.77 0.00 0.00 57.85 55.26 1s64 n ARG 92 Cb 0.03 -1.01 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.16 0.02 3.28 0.00 0.00 -1.19 -4.39 105.19 100.75 1s64 n GLY 94 Ca 0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.00 1.73 0.34 1.61 0.40 -1.26 -0.10 117.98 116.69 1s64 s PHE 95 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1s64 s PHE 95 Cb 0.00 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 1s64 s PHE 95 CO 0.00 0.19 0.57 1.03 0.70 0.00 0.00 175.22 177.71 1s64 s ARG 96 N -1.93 3.52 0.30 0.44 0.52 0.12 -0.91 118.95 121.01 1s64 s ARG 96 Ca 0.06 -0.21 0.16 0.00 -0.52 0.00 0.00 55.73 55.22 1s64 s ARG 96 Cb -0.10 -2.64 0.25 0.00 0.52 0.00 0.00 34.95 32.98 1s64 s ARG 96 CO 0.04 0.14 1.53 0.78 0.02 0.00 0.00 175.30 177.80 1s64 h GLY 97 N 0.95 0.00 -0.31 -3.53 0.00 -1.88 -3.46 103.07 94.83 1s64 h GLY 97 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1s64 h GLY 97 CO 0.63 0.00 0.14 -1.14 0.00 0.00 0.00 176.54 176.16 1s64 n SER 98 N -3.32 -0.34 -1.95 0.19 3.41 -1.26 -1.42 113.62 108.93 1s64 n SER 98 Ca 0.01 -1.16 -0.10 0.00 -0.26 0.00 0.00 58.87 57.37 1s64 n SER 98 Cb 0.68 0.54 0.25 0.00 -0.26 0.00 0.00 64.21 65.42 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 -0.64 4.34 0.20 4.04 3.41 -1.26 -4.65 113.62 119.05 1s64 n SER 99 Ca -0.00 -3.18 0.11 0.00 -0.26 0.00 0.00 58.87 55.53 1s64 n SER 99 Cb 0.12 -0.75 0.58 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 2.02 0.00 0.00 7.33 -0.00 -1.96 -1.50 116.97 122.86 1s64 h TYR 100 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.06 1s64 h TYR 100 Cb 2.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 39.05 1s64 h TYR 100 CO 1.24 0.00 -0.13 1.28 -0.00 0.00 0.00 178.16 180.56 1s64 n LEU 101 N -2.32 0.65 0.00 0.10 4.77 -1.26 -4.94 117.00 114.00 1s64 n LEU 101 Ca -0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1s64 n LEU 101 Cb 0.20 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1s64 n LEU 101 CO 0.09 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1s64 n GLY 102 N 1.35 0.59 3.73 -0.72 0.00 -0.56 -5.03 105.19 104.55 1s64 n GLY 102 Ca 0.05 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 3.67 0.15 -0.61 1.01 -1.26 -4.94 121.20 117.21 1s64 s ILE 103 Ca 0.00 1.36 -0.34 0.00 0.00 0.00 0.00 60.65 61.67 1s64 s ILE 103 Cb 0.00 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.46 1s64 s ILE 103 CO 0.00 0.20 1.55 -0.81 0.00 0.00 0.00 174.94 175.88 1s64 n PRO 104 N 2.78 2.03 -1.65 2.79 -0.04 -1.26 -4.85 135.00 134.81 1s64 n PRO 104 Ca 0.05 0.73 -0.58 0.00 -0.04 0.00 0.00 63.50 63.67 1s64 n PRO 104 Cb 0.45 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.35 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 3.35 1.64 -3.27 0.54 7.35 -1.26 -4.95 117.46 120.86 1s64 n PHE 105 Ca 0.17 0.75 -0.06 0.00 -0.76 0.00 0.00 57.45 57.55 1s64 n PHE 105 Cb 0.28 -2.33 -0.04 0.00 0.35 0.00 0.00 39.48 37.73 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 2.04 -0.18 -0.57 -2.13 2.47 -1.26 -5.06 114.94 110.25 1s64 s ASN 106 Ca 0.94 -0.48 -0.04 0.00 0.42 0.00 0.00 52.86 53.70 1s64 s ASN 106 Cb -1.14 1.34 -0.05 0.00 -1.45 0.00 0.00 41.25 39.95 1s64 s ASN 106 CO 0.62 -0.31 1.80 -0.81 -3.72 0.00 0.00 177.10 174.68 1s64 n PRO 107 N 5.09 1.41 -3.89 0.43 -0.04 -1.26 -4.08 135.00 132.67 1s64 n PRO 107 Ca 0.04 -1.08 -0.27 0.00 -0.04 0.00 0.00 63.50 62.16 1s64 n PRO 107 Cb 0.51 -2.23 0.01 0.00 -0.04 0.00 0.00 33.50 31.75 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 4.18 -2.55 0.00 3.54 7.64 -1.13 -4.74 113.62 120.56 1s64 n SER 108 Ca 0.30 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1s64 n SER 108 Cb 0.14 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 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 -4.46 0.00 -1.22 1.43 5.02 -1.26 -5.03 118.16 112.64 1s64 n LYS 109 Ca -0.14 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 1s64 n LYS 109 Cb 0.60 -0.03 0.23 0.00 -0.02 0.00 0.00 35.03 35.81 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 -1.18 1.23 0.63 4.39 2.20 -1.26 -5.05 114.94 115.90 1s64 s ASN 110 Ca 0.00 0.56 0.00 0.00 -0.94 0.00 0.00 52.86 52.48 1s64 s ASN 110 Cb 0.00 -0.76 0.00 0.00 -2.00 0.00 0.00 41.25 38.49 1s64 s ASN 110 CO 0.00 -3.93 0.00 0.09 -2.94 0.00 0.00 177.10 170.32 1s64 n PRO 111 N -4.62 -0.64 -3.52 3.55 -0.09 -1.26 -4.97 135.00 123.44 1s64 n PRO 111 Ca 0.14 0.00 -0.36 0.00 -0.09 0.00 0.00 63.50 63.18 1s64 n PRO 111 Cb 0.59 0.00 -0.07 0.00 -0.09 0.00 0.00 33.50 33.93 1s64 n PRO 111 CO 0.00 0.00 0.00 0.20 -0.09 0.00 0.00 175.50 175.61 1s64 s GLY 112 N -1.76 2.21 -0.64 1.68 0.00 -1.19 -4.98 107.32 102.64 1s64 s GLY 112 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 44.72 44.00 1s64 s GLY 112 CO 0.00 0.46 1.26 -1.08 0.00 0.00 0.00 173.10 173.73 1s64 s THR 113 N 0.50 3.88 0.19 0.90 -1.32 -1.26 -4.52 115.64 114.02 1s64 s THR 113 Ca 0.17 0.69 -0.32 0.00 -1.21 0.00 0.00 61.69 61.02 1s64 s THR 113 Cb -0.13 -4.76 -0.15 0.00 -1.51 0.00 0.00 72.50 65.95 1s64 s THR 113 CO 0.04 -1.50 1.20 0.00 -2.21 0.00 0.00 174.62 172.14 1s64 n ALA 114 N 8.96 -0.40 -3.69 11.08 0.00 -1.26 -5.00 120.51 130.20 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 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.22 -0.66 0.49 0.00 5.65 -1.26 -5.06 115.29 114.23 1s64 s HIS 115 Ca 0.71 1.37 0.30 0.00 0.25 0.00 0.00 55.06 57.69 1s64 s HIS 115 Cb -0.80 0.30 1.39 0.00 -1.18 0.00 0.00 32.58 32.28 1s64 s HIS 115 CO 0.52 -0.37 1.79 -1.35 -0.65 0.00 0.00 174.74 174.69 1s64 h PRO 116 N 7.22 0.13 0.00 2.88 0.11 -2.05 -2.93 132.00 137.37 1s64 h PRO 116 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 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 0.27 0.09 -0.09 0.66 -0.21 0.00 0.00 178.00 178.71 1s64 n TYR 117 N -4.36 0.00 -3.26 0.65 4.01 -1.26 -5.02 117.16 107.92 1s64 n TYR 117 Ca 0.25 -0.60 -0.39 0.00 -0.16 0.00 0.00 57.90 57.00 1s64 n TYR 117 Cb 1.11 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.82 6.48 0.27 7.72 2.15 -1.11 -5.03 116.67 125.33 1s64 s ASP 118 Ca 0.15 0.57 -0.20 0.00 0.43 0.00 0.00 52.55 53.51 1s64 s ASP 118 Cb 0.14 -2.28 0.02 0.00 -0.30 0.00 0.00 42.92 40.50 1s64 s ASP 118 CO 0.01 -0.22 0.67 -0.94 -0.17 0.00 0.00 175.17 174.52 1s64 s SER 119 N 1.35 -0.25 0.78 -0.34 1.04 -1.26 -4.89 113.70 110.13 1s64 s SER 119 Ca 0.22 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 1s64 s SER 119 Cb -0.15 0.70 0.09 0.00 0.10 0.00 0.00 66.02 66.75 1s64 s SER 119 CO 0.09 -1.29 1.12 -0.83 0.98 0.00 0.00 173.24 173.31 1s64 s GLY 120 N -2.93 1.65 -0.11 7.32 0.00 -0.49 -4.63 107.32 108.14 1s64 s GLY 120 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1s64 s GLY 120 CO 0.06 -0.36 -0.08 -1.58 0.00 0.00 0.00 173.10 171.14 1s64 s HIS 121 N -3.47 1.48 0.31 1.90 5.04 -0.09 -4.58 115.29 115.89 1s64 s HIS 121 Ca 0.63 -0.71 0.08 0.00 -1.54 0.00 0.00 55.06 53.52 1s64 s HIS 121 Cb -0.10 -1.20 0.89 0.00 0.04 0.00 0.00 32.58 32.20 1s64 s HIS 121 CO 0.48 -0.47 1.67 0.97 -2.34 0.00 0.00 174.74 175.04 1s64 h ILE 122 N 6.14 0.35 0.00 0.89 2.10 -1.10 0.50 117.51 126.39 1s64 h ILE 122 Ca -0.30 -0.11 -0.05 0.00 1.08 0.00 0.00 64.86 65.48 1s64 h ILE 122 Cb 1.14 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 1s64 h ILE 122 CO 0.42 0.06 -0.24 0.00 -1.08 0.00 0.00 178.15 177.31 1s64 h ALA 123 N 1.80 1.05 0.18 0.18 0.00 -1.95 -1.66 119.26 118.87 1s64 h ALA 123 Ca 0.64 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 55.01 1s64 h ALA 123 Cb 1.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1s64 h ALA 123 CO -0.60 0.29 -1.52 0.52 0.00 0.00 0.00 179.25 177.94 1s64 h MET 124 N 0.00 0.39 -0.85 0.00 2.86 -0.39 -1.87 114.93 115.06 1s64 h MET 124 Ca -0.00 -0.66 -0.01 0.00 -2.06 0.00 0.00 59.70 56.97 1s64 h MET 124 Cb 0.72 0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 1s64 h MET 124 CO 0.03 1.29 0.49 1.15 1.06 0.00 0.00 176.91 180.93 1s64 h THR 125 N 0.11 1.24 0.59 2.22 2.02 -0.73 0.58 112.91 118.94 1s64 h THR 125 Ca -0.25 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1s64 h THR 125 Cb 2.08 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1s64 h THR 125 CO 0.21 0.27 -0.28 0.22 0.37 0.00 0.00 175.52 176.30 1s64 h TYR 126 N 1.18 -0.73 0.00 3.16 3.20 -1.34 -1.84 116.97 120.60 1s64 h TYR 126 Ca 0.30 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 1s64 h TYR 126 Cb -0.00 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1s64 h TYR 126 CO 0.00 -0.40 -0.22 1.79 -1.64 0.00 0.00 178.16 177.69 1s64 h THR 127 N -1.06 1.05 0.52 1.81 1.35 -1.25 -0.96 112.91 114.38 1s64 h THR 127 Ca -0.08 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1s64 h THR 127 Cb 0.66 1.44 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1s64 h THR 127 CO 0.13 0.22 -0.25 1.23 -0.25 0.00 0.00 175.52 176.60 1s64 h GLY 128 N 0.78 -0.73 0.82 5.82 0.00 0.22 0.96 103.07 110.95 1s64 h GLY 128 Ca -0.00 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.64 1s64 h GLY 128 CO 0.03 -0.27 0.47 1.41 0.00 0.00 0.00 176.54 178.18 1s64 h LEU 129 N -0.94 0.76 -0.79 3.11 3.38 -1.23 -1.34 115.31 118.27 1s64 h LEU 129 Ca -0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1s64 h LEU 129 Cb 0.62 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1s64 h LEU 129 CO 0.12 0.51 0.49 -1.28 0.09 0.00 0.00 178.44 178.37 1s64 h SER 130 N 0.90 0.78 -0.48 -0.43 0.87 -1.10 -2.05 113.55 112.04 1s64 h SER 130 Ca 0.31 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 1s64 h SER 130 Cb 0.06 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1s64 h SER 130 CO -0.13 0.52 -0.07 0.00 -0.53 0.00 0.00 176.83 176.62 1s64 h LEU 132 N 0.75 0.45 -0.45 0.00 3.38 -0.86 -0.52 115.31 118.07 1s64 h LEU 132 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1s64 h LEU 132 Cb 0.61 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1s64 h LEU 132 CO 0.04 0.31 0.16 0.40 0.09 0.00 0.00 178.44 179.44 1s64 h ILE 133 N 0.58 1.21 -0.93 1.22 2.04 -1.28 -1.47 117.51 118.88 1s64 h ILE 133 Ca 0.23 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1s64 h ILE 133 Cb 0.10 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1s64 h ILE 133 CO -0.14 0.25 0.61 0.40 0.00 0.00 0.00 178.15 179.27 1s64 h ILE 134 N 0.58 1.16 0.00 -0.67 2.04 -0.96 -2.07 117.51 117.59 1s64 h ILE 134 Ca 0.15 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1s64 h ILE 134 Cb 0.23 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1s64 h ILE 134 CO -0.01 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.53 1s64 n LEU 135 N -4.44 0.00 0.00 1.44 4.77 -0.24 -4.91 117.00 113.62 1s64 n LEU 135 Ca 0.12 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1s64 n LEU 135 Cb 0.10 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1s64 n LEU 135 CO 0.35 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1s64 n GLY 136 N 1.04 0.14 3.71 -0.72 0.00 -0.78 -4.94 105.19 103.65 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 -2.25 3.92 0.00 1.61 -1.08 -0.59 -4.94 116.67 113.34 1s64 s ASP 137 Ca 0.00 2.29 0.21 0.00 -0.52 0.00 0.00 52.55 54.53 1s64 s ASP 137 Cb 0.00 -2.58 0.47 0.00 -1.46 0.00 0.00 42.92 39.35 1s64 s ASP 137 CO 0.00 -2.44 1.40 -0.90 0.52 0.00 0.00 175.17 173.75 1s64 n ASP 138 N -3.10 3.50 -1.21 -0.34 5.68 -1.26 -4.46 116.55 115.36 1s64 n ASP 138 Ca 0.13 -1.97 -0.16 0.00 -0.50 0.00 0.00 54.79 52.29 1s64 n ASP 138 Cb 0.51 -0.32 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 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 1.37 -1.15 0.18 -2.12 4.32 -1.26 -4.89 117.00 113.46 1s64 n LEU 139 Ca 0.20 0.39 0.02 0.00 -0.02 0.00 0.00 56.01 56.59 1s64 n LEU 139 Cb 0.57 -2.28 0.33 0.00 -1.62 0.00 0.00 43.42 40.42 1s64 n LEU 139 CO 0.15 -0.82 0.69 0.77 -1.22 0.00 0.00 177.39 176.95 1s64 h SER 140 N 0.00 0.00 -0.03 -1.43 4.64 -2.02 -2.49 113.55 112.21 1s64 h SER 140 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1s64 h SER 140 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1s64 h SER 140 CO 0.47 0.41 0.00 0.54 -0.87 0.00 0.00 176.83 177.38 1s64 n ARG 141 N -4.01 1.44 -2.98 4.77 1.74 -1.26 -4.80 116.66 111.56 1s64 n ARG 141 Ca -0.02 -0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 56.01 1s64 n ARG 141 Cb 0.45 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.97 4.92 -1.21 1.55 1.01 -0.94 -4.96 120.40 118.81 1s64 s VAL 142 Ca 0.39 1.43 -0.20 0.00 0.00 0.00 0.00 61.98 63.61 1s64 s VAL 142 Cb 0.20 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1s64 s VAL 142 CO 0.33 0.03 1.69 -0.62 0.00 0.00 0.00 175.10 176.52 1s64 s ASP 143 N 1.24 6.55 0.24 3.32 -1.08 -1.26 -4.82 116.67 120.86 1s64 s ASP 143 Ca 0.33 -2.07 -0.06 0.00 -0.52 0.00 0.00 52.55 50.23 1s64 s ASP 143 Cb -0.16 -2.58 0.43 0.00 -1.46 0.00 0.00 42.92 39.16 1s64 s ASP 143 CO 0.10 -1.46 1.68 0.11 0.52 0.00 0.00 175.17 176.12 1s64 h LYS 144 N 8.44 0.24 -0.09 4.34 1.57 -1.92 -1.18 116.57 127.96 1s64 h LYS 144 Ca 0.35 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1s64 h LYS 144 Cb 0.92 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1s64 h LYS 144 CO 1.43 0.16 -0.25 0.93 -0.57 0.00 0.00 179.45 181.15 1s64 h GLU 145 N 0.25 0.16 -0.15 3.15 4.39 -1.99 -1.96 114.58 118.42 1s64 h GLU 145 Ca 0.40 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.98 1s64 h GLU 145 Cb 0.67 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1s64 h GLU 145 CO -0.51 0.40 -0.18 0.00 -1.16 0.00 0.00 179.01 177.57 1s64 h ALA 146 N 1.60 0.23 -0.63 3.43 0.00 -1.62 -1.52 119.26 120.74 1s64 h ALA 146 Ca 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1s64 h ALA 146 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1s64 h ALA 146 CO 0.04 0.14 0.40 0.00 0.00 0.00 0.00 179.25 179.83 1s64 h LEU 148 N 0.81 0.67 -0.50 0.00 3.38 -1.32 0.17 115.31 118.52 1s64 h LEU 148 Ca 0.24 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1s64 h LEU 148 Cb -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1s64 h LEU 148 CO -0.07 0.73 0.02 0.00 0.09 0.00 0.00 178.44 179.21 1s64 h ALA 149 N 1.35 0.67 -0.51 1.53 0.00 -0.59 -1.19 119.26 120.52 1s64 h ALA 149 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1s64 h ALA 149 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1s64 h ALA 149 CO 0.01 0.46 0.24 0.78 0.00 0.00 0.00 179.25 180.74 1s64 h GLY 150 N 0.73 0.80 0.82 0.00 0.00 -0.13 -2.71 103.07 102.59 1s64 h GLY 150 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1s64 h GLY 150 CO 0.02 0.39 -0.15 -2.00 0.00 0.00 0.00 176.54 174.80 1s64 h LEU 151 N 0.69 -0.39 -1.03 3.11 6.46 -0.41 -2.70 115.31 121.03 1s64 h LEU 151 Ca 0.18 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.16 1s64 h LEU 151 Cb 0.14 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.10 1s64 h LEU 151 CO -0.02 -0.23 0.61 0.03 -0.62 0.00 0.00 178.44 178.22 1s64 h ARG 152 N -0.33 0.73 0.00 1.25 3.08 -0.96 0.59 114.38 118.74 1s64 h ARG 152 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1s64 h ARG 152 Cb 0.31 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1s64 h ARG 152 CO -0.04 0.48 -0.03 0.00 -1.07 0.00 0.00 179.97 179.32 1s64 h ALA 153 N 1.65 1.06 0.00 0.04 0.00 -1.15 -2.80 119.26 118.05 1s64 h ALA 153 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1s64 h ALA 153 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1s64 h ALA 153 CO -0.38 0.03 -0.38 -0.07 0.00 0.00 0.00 179.25 178.45 1s64 h LEU 154 N 0.00 0.00 -9.64 0.00 3.38 -0.78 -3.47 115.31 104.81 1s64 h LEU 154 Ca -0.00 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 1s64 h LEU 154 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1s64 h LEU 154 CO 0.00 0.03 0.45 -1.58 0.09 0.00 0.00 178.44 177.44 1s64 s GLN 155 N -3.20 4.62 0.55 1.13 0.74 -1.06 -1.49 119.66 120.95 1s64 s GLN 155 Ca 0.06 1.66 0.01 0.00 0.05 0.00 0.00 55.36 57.14 1s64 s GLN 155 Cb 0.10 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 30.95 1s64 s GLN 155 CO 0.69 0.10 0.78 -0.51 -0.55 0.00 0.00 175.29 175.80 1s64 s LEU 156 N -0.27 3.26 0.35 3.68 1.43 0.45 -4.98 118.68 122.60 1s64 s LEU 156 Ca 0.49 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1s64 s LEU 156 Cb -0.28 -2.86 0.73 0.00 0.03 0.00 0.00 46.19 43.82 1s64 s LEU 156 CO 0.34 -1.16 1.91 1.05 0.23 0.00 0.00 176.35 178.72 1s64 h GLU 157 N 0.06 0.76 0.00 1.70 4.11 -1.97 -0.89 114.58 118.35 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 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1s64 h GLU 157 CO 0.52 0.50 0.00 -0.40 0.07 0.00 0.00 179.01 179.70 1s64 n ASP 158 N -4.52 0.00 0.00 3.06 3.85 -1.26 -4.89 116.55 112.79 1s64 n ASP 158 Ca 0.14 -0.59 0.00 0.00 -0.71 0.00 0.00 54.79 53.63 1s64 n ASP 158 Cb 0.33 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 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 0.67 3.22 3.94 6.12 0.00 -0.34 -4.05 105.19 114.74 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 -1.09 2.98 0.17 1.61 1.04 -1.26 -3.98 113.70 113.18 1s64 s SER 160 Ca 0.00 0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.68 1s64 s SER 160 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1s64 s SER 160 CO 0.00 -2.81 -0.16 -0.36 0.98 0.00 0.00 173.24 170.89 1s64 s PHE 161 N -3.90 1.74 0.41 5.02 0.40 -1.26 -0.42 117.98 119.97 1s64 s PHE 161 Ca 0.75 -0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.65 1s64 s PHE 161 Cb -0.03 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 1s64 s PHE 161 CO 0.53 0.32 0.47 0.00 0.70 0.00 0.00 175.22 177.25 1s64 n ALA 163 N -1.69 1.36 -2.83 0.00 0.00 -1.26 -4.77 120.51 111.31 1s64 n ALA 163 Ca 0.05 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 1s64 n ALA 163 Cb 0.60 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.58 0.62 0.55 0.00 -7.23 -1.26 -0.51 120.40 109.99 1s64 s VAL 164 Ca -0.10 -1.13 0.22 0.00 -1.81 0.00 0.00 61.98 59.17 1s64 s VAL 164 Cb 0.07 -0.69 0.31 0.00 0.56 0.00 0.00 36.38 36.64 1s64 s VAL 164 CO 0.81 -0.37 2.18 1.55 -0.31 0.00 0.00 175.10 178.96 1s64 h PRO 165 N 4.44 0.00 0.00 4.82 0.13 -1.87 -1.09 132.00 138.44 1s64 h PRO 165 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 -4.23 0.12 0.00 0.86 4.71 -1.26 -4.96 120.64 115.88 1s64 n GLU 166 Ca -0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1s64 n GLU 166 Cb 0.12 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 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 0.08 2.82 0.28 0.62 0.00 -0.41 -5.17 105.19 103.41 1s64 n GLY 167 Ca 0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.11 -4.80 1.61 3.41 -1.26 -4.71 113.62 107.75 1s64 n SER 168 Ca 0.00 -1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 57.25 1s64 n SER 168 Cb 0.00 0.18 0.06 0.00 -0.26 0.00 0.00 64.21 64.19 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 2.81 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.70 1s64 s GLU 169 Ca 0.02 1.04 0.02 0.00 0.03 0.00 0.00 54.97 56.08 1s64 s GLU 169 Cb -0.00 -1.97 0.01 0.00 -0.80 0.00 0.00 34.13 31.37 1s64 s GLU 169 CO 0.00 -1.21 -0.07 0.54 -1.33 0.00 0.00 175.26 173.19 1s64 s ASN 170 N -3.58 1.12 0.11 0.83 4.22 -1.26 -4.16 114.94 112.21 1s64 s ASN 170 Ca 0.59 -0.17 -0.09 0.00 -2.14 0.00 0.00 52.86 51.05 1s64 s ASN 170 Cb -0.15 -0.41 0.03 0.00 1.28 0.00 0.00 41.25 42.00 1s64 s ASN 170 CO 0.53 0.02 0.46 -0.90 -2.04 0.00 0.00 177.10 175.17 1s64 n ASP 171 N 3.61 -0.86 -0.19 3.54 5.68 -1.19 -4.93 116.55 122.20 1s64 n ASP 171 Ca -0.21 -1.49 0.14 0.00 -0.50 0.00 0.00 54.79 52.72 1s64 n ASP 171 Cb 0.53 1.41 0.46 0.00 -1.14 0.00 0.00 41.12 42.38 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 0.50 -0.81 0.11 1.85 -1.75 -2.21 114.93 112.62 1s64 h MET 172 Ca -0.13 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 59.06 1s64 h MET 172 Cb 0.56 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 32.39 1s64 h MET 172 CO 0.18 0.33 0.41 0.00 -0.40 0.00 0.00 176.91 177.43 1s64 h ARG 173 N 0.51 0.61 0.00 0.39 3.08 -1.94 -1.08 114.38 115.95 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 0.75 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1s64 h ARG 173 CO -0.14 0.40 -0.11 0.74 -1.07 0.00 0.00 179.97 179.80 1s64 h PHE 174 N 0.63 0.00 -0.41 3.04 0.05 -1.68 -2.62 116.94 115.94 1s64 h PHE 174 Ca 0.43 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.08 1s64 h PHE 174 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 1s64 h PHE 174 CO -0.10 0.00 -0.29 0.28 -0.18 0.00 0.00 178.31 178.02 1s64 h VAL 175 N 0.00 1.27 -0.51 -0.55 2.07 -1.13 -0.65 116.25 116.76 1s64 h VAL 175 Ca 0.00 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 1s64 h VAL 175 Cb 0.99 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1s64 h VAL 175 CO 0.00 0.49 0.05 0.22 0.02 0.00 0.00 177.57 178.35 1s64 h TYR 176 N 0.75 0.94 -0.40 1.57 3.20 -1.15 -0.82 116.97 121.05 1s64 h TYR 176 Ca 0.08 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1s64 h TYR 176 Cb 0.86 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1s64 h TYR 176 CO 0.05 0.86 0.19 0.00 -1.64 0.00 0.00 178.16 177.62 1s64 h ALA 178 N 1.04 0.77 -0.61 0.00 0.00 -0.94 -0.93 119.26 118.58 1s64 h ALA 178 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1s64 h ALA 178 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1s64 h ALA 178 CO -0.02 0.17 0.32 0.77 0.00 0.00 0.00 179.25 180.49 1s64 h SER 179 N 0.79 0.77 -0.68 0.00 0.02 -0.78 -1.38 113.55 112.29 1s64 h SER 179 Ca 0.23 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1s64 h SER 179 Cb -0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1s64 h SER 179 CO -0.06 0.66 0.21 0.00 -1.14 0.00 0.00 176.83 176.50 1s64 h ILE 181 N 0.99 1.11 -0.93 0.00 2.04 -0.89 0.19 117.51 120.02 1s64 h ILE 181 Ca 0.22 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1s64 h ILE 181 Cb 0.30 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1s64 h ILE 181 CO -0.01 0.09 0.61 0.00 0.00 0.00 0.00 178.15 178.84 1s64 h TYR 183 N 1.20 0.53 -0.38 0.00 3.20 -0.90 -0.62 116.97 120.00 1s64 h TYR 183 Ca 0.36 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 1s64 h TYR 183 Cb -0.04 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1s64 h TYR 183 CO -0.00 0.66 -0.22 0.52 -1.64 0.00 0.00 178.16 177.48 1s64 h MET 184 N 0.24 0.74 -0.13 1.82 2.86 -0.55 -1.71 114.93 118.20 1s64 h MET 184 Ca 0.07 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1s64 h MET 184 Cb 0.47 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1s64 h MET 184 CO 0.02 0.90 0.00 1.28 1.06 0.00 0.00 176.91 180.16 1s64 n LEU 185 N -4.12 0.97 -4.30 1.22 4.77 -0.02 -4.91 117.00 110.61 1s64 n LEU 185 Ca 0.00 -0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 55.22 1s64 n LEU 185 Cb 0.43 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1s64 n LEU 185 CO 0.44 0.22 -0.35 -3.20 -1.33 0.00 0.00 177.39 173.16 1s64 n ASN 186 N -0.09 -0.03 -3.52 -1.43 5.15 -0.40 -4.92 115.26 110.03 1s64 n ASN 186 Ca 0.12 -1.22 -0.04 0.00 -0.60 0.00 0.00 54.58 52.85 1s64 n ASN 186 Cb 0.20 -1.88 -0.06 0.00 -0.53 0.00 0.00 39.78 37.51 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 -4.10 -0.69 -0.11 1.20 3.84 -0.38 -5.03 114.94 109.67 1s64 s ASN 187 Ca 0.21 1.06 0.11 0.00 0.21 0.00 0.00 52.86 54.44 1s64 s ASN 187 Cb -0.12 1.79 0.50 0.00 -0.55 0.00 0.00 41.25 42.87 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 5.41 1.14 0.84 0.43 7.02 -1.26 -4.02 117.44 126.99 1s64 n TRP 188 Ca -0.08 -0.42 0.09 0.00 -1.02 0.00 0.00 57.50 56.07 1s64 n TRP 188 Cb 0.50 -0.25 0.46 0.00 -2.42 0.00 0.00 31.31 29.60 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 0.57 0.00 0.01 -0.99 3.41 -1.26 -2.60 113.62 112.75 1s64 n SER 189 Ca 0.17 0.16 0.08 0.00 -0.26 0.00 0.00 58.87 59.02 1s64 n SER 189 Cb 0.72 -0.35 0.35 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.07 3.34 5.00 0.00 -1.26 -4.81 105.19 106.78 1s64 n GLY 190 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.02 1.11 -0.92 1.61 0.23 -1.07 -2.60 119.30 114.63 1s64 s MET 191 Ca 0.07 -0.76 -0.17 0.00 -1.03 0.00 0.00 55.69 53.80 1s64 s MET 191 Cb 0.10 0.47 0.16 0.00 -1.53 0.00 0.00 34.83 34.03 1s64 s MET 191 CO 0.30 -0.43 1.05 0.34 -2.03 0.00 0.00 175.02 174.25 1s64 s ASP 192 N -2.82 6.69 0.33 -1.18 3.68 -1.26 -4.89 116.67 117.21 1s64 s ASP 192 Ca 0.04 -2.25 0.09 0.00 2.13 0.00 0.00 52.55 52.57 1s64 s ASP 192 Cb 0.02 -2.35 0.84 0.00 -1.45 0.00 0.00 42.92 39.98 1s64 s ASP 192 CO -0.10 -0.92 1.79 -0.03 0.13 0.00 0.00 175.17 176.03 1s64 h MET 193 N 8.49 0.64 -0.65 4.34 1.85 -1.98 -1.42 114.93 126.21 1s64 h MET 193 Ca 0.15 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1s64 h MET 193 Cb 1.02 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.88 1s64 h MET 193 CO 1.02 0.42 0.38 -0.22 -0.40 0.00 0.00 176.91 178.11 1s64 h LYS 194 N 0.66 0.89 -0.36 0.39 3.64 -2.00 -0.78 116.57 119.01 1s64 h LYS 194 Ca 0.56 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.72 1s64 h LYS 194 Cb 1.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1s64 h LYS 194 CO -0.34 0.65 -0.33 0.87 -2.27 0.00 0.00 179.45 178.03 1s64 h LYS 195 N 0.88 0.80 -0.43 1.90 1.57 -1.66 -2.13 116.57 117.50 1s64 h LYS 195 Ca 0.23 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1s64 h LYS 195 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1s64 h LYS 195 CO -0.04 1.01 0.18 0.00 -0.57 0.00 0.00 179.45 180.02 1s64 h ALA 196 N 0.96 0.56 -0.97 3.86 0.00 -1.07 -1.49 119.26 121.11 1s64 h ALA 196 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1s64 h ALA 196 Cb 0.87 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1s64 h ALA 196 CO 0.08 0.16 0.64 0.82 0.00 0.00 0.00 179.25 180.95 1s64 h ILE 197 N 0.55 1.24 -0.71 0.00 2.04 -1.05 -0.86 117.51 118.71 1s64 h ILE 197 Ca 0.14 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1s64 h ILE 197 Cb 0.18 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1s64 h ILE 197 CO -0.01 0.24 0.43 -1.28 0.00 0.00 0.00 178.15 177.53 1s64 h SER 198 N 1.30 0.86 -0.56 1.72 0.87 -1.01 -0.80 113.55 115.93 1s64 h SER 198 Ca 0.36 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1s64 h SER 198 Cb -0.14 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.58 1s64 h SER 198 CO -0.08 0.67 0.25 0.22 -0.53 0.00 0.00 176.83 177.36 1s64 h TYR 199 N 0.97 0.83 -0.73 2.24 3.20 -0.29 -1.27 116.97 121.93 1s64 h TYR 199 Ca 0.26 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1s64 h TYR 199 Cb -0.03 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 1s64 h TYR 199 CO -0.01 0.65 0.34 0.82 -1.64 0.00 0.00 178.16 178.32 1s64 h ILE 200 N 0.76 1.24 -0.36 1.81 2.04 -0.73 -2.43 117.51 119.84 1s64 h ILE 200 Ca 0.19 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1s64 h ILE 200 Cb 0.15 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1s64 h ILE 200 CO -0.02 0.29 0.04 0.03 0.00 0.00 0.00 178.15 178.48 1s64 h ARG 201 N 1.02 0.62 0.00 2.37 3.08 -0.88 -2.77 114.38 117.82 1s64 h ARG 201 Ca 0.25 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1s64 h ARG 201 Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1s64 h ARG 201 CO -0.03 0.70 0.00 0.54 -1.07 0.00 0.00 179.97 180.11 1s64 n ARG 202 N -4.53 0.10 0.00 0.04 1.74 -0.50 -1.82 116.66 111.69 1s64 n ARG 202 Ca -0.01 0.48 0.13 0.00 -0.77 0.00 0.00 57.85 57.67 1s64 n ARG 202 Cb 0.25 -1.76 0.40 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.97 0.43 -4.71 0.55 3.41 -0.94 -4.04 113.62 106.35 1s64 n SER 203 Ca 0.01 -0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 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 -2.89 4.25 0.65 4.33 -2.45 -0.76 -1.36 119.30 121.08 1s64 s MET 204 Ca 0.15 2.24 -0.04 0.00 -1.25 0.00 0.00 55.69 56.79 1s64 s MET 204 Cb 0.18 -3.25 0.05 0.00 1.25 0.00 0.00 34.83 33.07 1s64 s MET 204 CO 0.61 -0.56 0.93 0.45 1.05 0.00 0.00 175.02 177.51 1s64 s SER 205 N 1.29 4.95 0.53 1.11 0.15 -0.20 -4.87 113.70 116.65 1s64 s SER 205 Ca 0.68 0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.87 1s64 s SER 205 Cb -0.40 -0.98 1.46 0.00 -1.71 0.00 0.00 66.02 64.39 1s64 s SER 205 CO 0.31 -1.45 2.07 0.10 1.20 0.00 0.00 173.24 175.46 1s64 h TYR 206 N -0.37 0.00 -0.27 3.44 -0.00 -1.94 -0.65 116.97 117.18 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 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1s64 h TYR 206 CO 0.32 0.11 0.00 -0.40 -0.00 0.00 0.00 178.16 178.19 1s64 n ASP 207 N -3.58 1.87 0.00 0.10 3.85 -1.26 -4.93 116.55 112.60 1s64 n ASP 207 Ca -0.02 -1.86 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 1s64 n ASP 207 Cb 0.24 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 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 0.48 0.00 -4.59 -1.12 3.02 -0.25 -4.79 115.26 108.01 1s64 n ASN 208 Ca 0.14 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 1s64 n ASN 208 Cb 0.33 -0.01 0.12 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 1.72 -0.10 7.41 0.00 -1.26 -4.23 107.32 108.87 1s64 s GLY 209 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 1s64 s GLY 209 CO 0.00 -0.57 0.02 1.08 0.00 0.00 0.00 173.10 173.63 1s64 s LEU 210 N -5.49 3.66 0.52 0.66 1.02 -1.26 -1.03 118.68 116.76 1s64 s LEU 210 Ca 0.66 0.16 0.07 0.00 0.02 0.00 0.00 54.13 55.05 1s64 s LEU 210 Cb -0.07 -1.85 0.04 0.00 0.02 0.00 0.00 46.19 44.33 1s64 s LEU 210 CO 0.48 0.36 0.54 0.00 0.02 0.00 0.00 176.35 177.75 1s64 s ALA 211 N -0.74 4.46 0.38 4.21 0.00 -0.47 -1.23 121.76 128.38 1s64 s ALA 211 Ca 0.12 -1.70 0.25 0.00 0.00 0.00 0.00 51.96 50.63 1s64 s ALA 211 Cb -0.12 -1.08 1.30 0.00 0.00 0.00 0.00 23.12 23.23 1s64 s ALA 211 CO 0.02 -0.54 2.02 1.96 0.00 0.00 0.00 175.76 179.22 1s64 h GLN 212 N 0.60 0.00 -2.43 0.00 1.08 -1.88 -3.45 115.11 109.03 1s64 h GLN 212 Ca -0.35 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.01 1s64 h GLN 212 Cb 1.29 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.64 1s64 h GLN 212 CO 0.51 0.16 0.45 0.20 -0.95 0.00 0.00 178.83 179.20 1s64 s GLY 213 N -4.22 -0.20 0.22 3.46 0.00 -1.26 -2.18 107.32 103.13 1s64 s GLY 213 Ca -0.02 0.05 -0.32 0.00 0.00 0.00 0.00 44.72 44.43 1s64 s GLY 213 CO 0.61 0.01 1.48 0.00 0.00 0.00 0.00 173.10 175.21 1s64 n ALA 214 N -0.47 1.33 0.00 3.20 0.00 -1.26 -2.34 120.51 120.96 1s64 n ALA 214 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1s64 n ALA 214 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 2.61 3.12 3.83 0.00 0.00 -1.26 -5.03 105.19 108.46 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 2.79 0.09 0.99 1.02 -0.99 -4.99 118.68 117.59 1s64 s LEU 216 Ca 0.00 1.29 -0.31 0.00 0.02 0.00 0.00 54.13 55.14 1s64 s LEU 216 Cb 0.00 -4.02 -0.08 0.00 0.02 0.00 0.00 46.19 42.10 1s64 s LEU 216 CO 0.00 -1.65 1.60 -0.70 0.02 0.00 0.00 176.35 175.62 1s64 s GLU 217 N -5.21 4.21 0.56 1.70 2.12 -1.26 -4.68 118.70 116.14 1s64 s GLU 217 Ca 0.59 2.30 -0.21 0.00 0.36 0.00 0.00 54.97 58.01 1s64 s GLU 217 Cb -0.13 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1s64 s GLU 217 CO 0.54 -0.68 1.36 -1.54 -0.54 0.00 0.00 175.26 174.40 1s64 s SER 218 N 2.02 5.17 0.01 -1.70 1.04 -1.26 -4.46 113.70 114.52 1s64 s SER 218 Ca 0.72 2.77 -0.06 0.00 0.48 0.00 0.00 55.95 59.86 1s64 s SER 218 Cb -0.40 -2.64 -0.00 0.00 0.10 0.00 0.00 66.02 63.08 1s64 s SER 218 CO 0.31 -1.64 0.12 -2.28 0.98 0.00 0.00 173.24 170.74 1s64 s HIS 219 N -1.30 0.08 0.34 5.02 2.46 -0.36 -4.82 115.29 116.71 1s64 s HIS 219 Ca 0.73 -0.21 0.02 0.00 0.47 0.00 0.00 55.06 56.07 1s64 s HIS 219 Cb -0.41 -0.07 0.61 0.00 -0.13 0.00 0.00 32.58 32.59 1s64 s HIS 219 CO 0.48 -0.29 2.01 0.78 -2.47 0.00 0.00 174.74 175.25 1s64 h GLY 220 N 4.24 0.93 0.65 1.59 0.00 -0.37 -0.47 103.07 109.64 1s64 h GLY 220 Ca -0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1s64 h GLY 220 CO 0.41 0.34 -0.05 -1.33 0.00 0.00 0.00 176.54 175.92 1s64 h GLY 221 N 0.89 0.18 1.89 4.60 0.00 -1.91 -2.10 103.07 106.62 1s64 h GLY 221 Ca 0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1s64 h GLY 221 CO -0.05 0.15 -0.44 1.48 0.00 0.00 0.00 176.54 177.68 1s64 h SER 222 N -0.23 0.13 -0.51 0.19 4.64 -1.77 -1.04 113.55 114.96 1s64 h SER 222 Ca 0.02 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1s64 h SER 222 Cb 0.51 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1s64 h SER 222 CO 0.01 0.55 0.01 0.74 -0.87 0.00 0.00 176.83 177.28 1s64 h THR 223 N 0.10 1.26 0.03 2.95 2.02 -1.07 0.48 112.91 118.68 1s64 h THR 223 Ca 0.01 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1s64 h THR 223 Cb 0.82 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1s64 h THR 223 CO 0.06 0.38 -0.01 0.15 0.37 0.00 0.00 175.52 176.47 1s64 h PHE 224 N 0.76 -0.03 -0.77 3.16 3.57 -1.02 -0.70 116.94 121.91 1s64 h PHE 224 Ca 0.15 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1s64 h PHE 224 Cb 0.51 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 1s64 h PHE 224 CO 0.04 0.05 0.44 0.00 -2.23 0.00 0.00 178.31 176.61 1s64 h GLY 226 N 0.77 -0.13 0.94 0.00 0.00 -0.74 -1.87 103.07 102.04 1s64 h GLY 226 Ca 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 1s64 h GLY 226 CO -0.22 -0.05 0.09 -2.22 0.00 0.00 0.00 176.54 174.15 1s64 h ILE 227 N -0.47 1.23 -0.74 2.60 1.08 -0.93 -2.29 117.51 118.01 1s64 h ILE 227 Ca -0.01 -0.81 -0.04 0.00 -0.39 0.00 0.00 64.86 63.60 1s64 h ILE 227 Cb 0.39 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1s64 h ILE 227 CO 0.02 0.28 0.29 0.00 -0.69 0.00 0.00 178.15 178.06 1s64 h ALA 228 N 0.95 0.96 -0.28 1.87 0.00 -0.67 -1.12 119.26 120.97 1s64 h ALA 228 Ca 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1s64 h ALA 228 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s64 h ALA 228 CO 0.00 0.58 0.12 0.77 0.00 0.00 0.00 179.25 180.73 1s64 h SER 229 N 1.06 0.17 -0.79 0.00 0.02 -1.18 0.59 113.55 113.42 1s64 h SER 229 Ca 0.25 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1s64 h SER 229 Cb 0.21 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1s64 h SER 229 CO -0.02 0.14 0.45 -0.07 -1.14 0.00 0.00 176.83 176.19 1s64 h LEU 230 N 0.27 0.98 -0.56 5.07 3.38 -1.10 -1.23 115.31 122.11 1s64 h LEU 230 Ca 0.12 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1s64 h LEU 230 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1s64 h LEU 230 CO -0.09 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.43 1s64 h LEU 232 N 0.78 0.45 0.00 0.00 4.07 -0.44 0.34 115.31 120.51 1s64 h LEU 232 Ca 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1s64 h LEU 232 Cb 0.23 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1s64 h LEU 232 CO -0.01 0.38 -0.03 0.24 -1.08 0.00 0.00 178.44 177.94 1s64 h MET 233 N 0.51 0.00 -2.97 1.13 2.86 -0.49 -3.48 114.93 112.50 1s64 h MET 233 Ca 0.13 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 1s64 h MET 233 Cb 0.05 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.76 1s64 h MET 233 CO -0.02 0.00 -0.31 0.41 1.06 0.00 0.00 176.91 178.05 1s64 n GLY 234 N 1.29 0.20 0.34 8.32 0.00 0.30 -4.95 105.19 110.69 1s64 n GLY 234 Ca 0.05 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.52 0.51 0.25 1.61 5.02 -0.25 -4.88 118.16 117.89 1s64 n LYS 235 Ca -0.02 -1.64 -0.17 0.00 -2.02 0.00 0.00 58.31 54.46 1s64 n LYS 235 Cb 0.54 -0.89 -0.09 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.01 -1.27 -1.41 -0.35 6.46 -1.90 -1.00 115.31 115.85 1s64 h LEU 236 Ca -0.00 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1s64 h LEU 236 Cb 1.24 0.43 -0.04 0.00 -0.73 0.00 0.00 40.66 41.57 1s64 h LEU 236 CO 0.00 -0.60 0.45 -0.33 -0.62 0.00 0.00 178.44 177.34 1s64 h GLU 237 N -0.89 0.72 -0.12 1.25 4.39 -1.90 -2.04 114.58 115.99 1s64 h GLU 237 Ca -0.04 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1s64 h GLU 237 Cb 0.80 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1s64 h GLU 237 CO -0.10 0.48 -0.62 1.49 -1.16 0.00 0.00 179.01 179.10 1s64 h GLU 238 N 0.74 0.42 0.20 2.33 4.81 -1.83 -3.35 114.58 117.91 1s64 h GLU 238 Ca 0.29 -0.29 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 1s64 h GLU 238 Cb 0.19 0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.63 1s64 h GLU 238 CO -0.09 0.91 -1.66 0.28 -0.73 0.00 0.00 179.01 177.72 1s64 h VAL 239 N 0.31 1.05 -3.71 0.32 2.07 -0.80 -3.46 116.25 112.03 1s64 h VAL 239 Ca -0.01 -2.59 -0.68 0.00 0.82 0.00 0.00 66.70 64.24 1s64 h VAL 239 Cb 1.16 2.84 -0.22 0.00 -1.52 0.00 0.00 31.29 33.55 1s64 h VAL 239 CO 0.11 0.84 -0.73 -0.36 0.02 0.00 0.00 177.57 177.45 1s64 s PHE 240 N -2.59 2.83 0.88 1.57 2.99 -0.80 -5.08 117.98 117.77 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 -1.73 0.12 0.00 0.00 0.00 0.00 43.02 41.46 1s64 s PHE 240 CO 0.88 0.14 1.11 -1.54 -0.00 0.00 0.00 175.22 175.81 1s64 s SER 241 N -0.45 3.79 0.23 1.36 1.04 -1.26 -4.63 113.70 113.79 1s64 s SER 241 Ca 0.06 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.58 1s64 s SER 241 Cb -0.12 -1.82 0.25 0.00 0.10 0.00 0.00 66.02 64.42 1s64 s SER 241 CO 0.02 -2.40 1.89 -0.08 0.98 0.00 0.00 173.24 173.65 1s64 h GLU 242 N -1.39 1.08 -0.68 4.02 4.81 -1.99 0.26 114.58 120.69 1s64 h GLU 242 Ca -0.49 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 1s64 h GLU 242 Cb 1.30 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1s64 h GLU 242 CO 0.60 0.71 0.24 -0.22 -0.73 0.00 0.00 179.01 179.61 1s64 h LYS 243 N 1.11 1.05 -0.36 1.92 3.64 -1.99 -0.79 116.57 121.14 1s64 h LYS 243 Ca 0.34 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1s64 h LYS 243 Cb -0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1s64 h LYS 243 CO -0.10 0.89 0.12 0.93 -2.27 0.00 0.00 179.45 179.01 1s64 h GLU 244 N 0.99 0.56 -0.31 1.90 5.08 -1.71 -1.88 114.58 119.21 1s64 h GLU 244 Ca 0.22 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1s64 h GLU 244 Cb 0.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1s64 h GLU 244 CO -0.01 0.58 0.01 -0.07 -1.00 0.00 0.00 179.01 178.51 1s64 h LEU 245 N 0.44 0.43 -0.83 1.33 3.38 -0.77 -0.74 115.31 118.56 1s64 h LEU 245 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1s64 h LEU 245 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1s64 h LEU 245 CO -0.00 0.50 -0.11 0.78 0.09 0.00 0.00 178.44 179.70 1s64 h ASN 246 N 0.45 0.75 -0.42 -0.43 -0.26 -0.76 0.25 115.58 115.17 1s64 h ASN 246 Ca 0.10 -0.22 -0.15 0.00 -0.56 0.00 0.00 56.30 55.47 1s64 h ASN 246 Cb 0.29 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1s64 h ASN 246 CO 0.01 0.89 -0.32 0.03 -1.06 0.00 0.00 177.43 176.97 1s64 h ARG 247 N 0.69 0.95 -0.52 0.81 3.08 -0.52 -1.52 114.38 117.35 1s64 h ARG 247 Ca 0.12 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.62 1s64 h ARG 247 Cb 0.58 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1s64 h ARG 247 CO 0.04 1.13 0.01 0.82 -1.07 0.00 0.00 179.97 180.90 1s64 h ILE 248 N 0.78 1.26 -0.66 2.04 2.04 -0.94 -1.59 117.51 120.45 1s64 h ILE 248 Ca 0.08 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1s64 h ILE 248 Cb 0.91 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1s64 h ILE 248 CO 0.08 0.38 0.43 0.11 0.00 0.00 0.00 178.15 179.16 1s64 h LYS 249 N 0.78 0.87 -0.46 2.37 1.57 -0.82 -0.65 116.57 120.22 1s64 h LYS 249 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1s64 h LYS 249 Cb 0.51 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1s64 h LYS 249 CO 0.02 0.58 0.30 -0.09 -0.57 0.00 0.00 179.45 179.69 1s64 h ARG 250 N 0.89 0.61 -0.53 3.15 9.65 -0.99 -0.49 114.38 126.68 1s64 h ARG 250 Ca 0.24 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1s64 h ARG 250 Cb -0.10 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.32 1s64 h ARG 250 CO -0.05 0.42 0.32 2.35 2.80 0.00 0.00 179.97 185.81 1s64 h TRP 251 N 0.62 0.69 0.10 2.20 7.01 -0.77 -2.39 115.95 123.41 1s64 h TRP 251 Ca 0.17 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1s64 h TRP 251 Cb -0.06 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 1s64 h TRP 251 CO -0.04 0.47 -0.05 0.00 -2.79 0.00 0.00 178.44 176.03 1s64 h ILE 253 N -0.39 0.00 0.00 0.00 2.10 -1.07 -0.20 117.51 117.95 1s64 h ILE 253 Ca -0.01 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1s64 h ILE 253 Cb 0.33 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 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 -2.93 0.15 0.14 2.19 2.81 -0.90 -3.02 117.12 115.56 1s64 n MET 254 Ca -0.01 0.07 0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1s64 n MET 254 Cb 0.18 -1.50 0.42 0.00 -0.71 0.00 0.00 33.22 31.60 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 -1.07 -3.44 114.38 106.07 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 0.33 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1s64 h ARG 255 CO 0.00 0.00 0.52 -1.14 0.56 0.00 0.00 179.97 179.91 1s64 s GLN 256 N -3.20 4.45 -0.11 0.04 0.74 -1.17 -2.38 119.66 118.04 1s64 s GLN 256 Ca 0.08 1.41 -0.01 0.00 0.05 0.00 0.00 55.36 56.89 1s64 s GLN 256 Cb 0.10 -3.52 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 1s64 s GLN 256 CO 0.55 -0.26 -0.11 1.04 -0.55 0.00 0.00 175.29 175.97 1s64 n GLN 257 N 4.74 0.25 0.12 1.67 1.13 -1.26 -4.97 117.38 119.06 1s64 n GLN 257 Ca 0.08 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1s64 n GLN 257 Cb 0.49 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 -3.03 -2.15 -0.61 1.08 0.23 -1.26 -5.07 115.26 104.45 1s64 n ASN 258 Ca -0.20 0.49 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1s64 n ASN 258 Cb 0.68 2.21 0.00 0.00 -2.08 0.00 0.00 39.78 40.60 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 1.44 3.36 4.83 0.00 -1.26 -2.44 105.19 109.65 1s64 n GLY 259 Ca 0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 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 1.75 2.21 0.34 1.61 1.51 -1.26 -4.47 117.35 119.04 1s64 s TYR 260 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1s64 s TYR 260 Cb 0.00 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1s64 s TYR 260 CO 0.00 0.27 0.17 -3.38 -1.11 0.00 0.00 175.55 171.50 1s64 s HIS 261 N -1.02 2.74 -0.31 2.71 -3.43 -1.00 -1.03 115.29 113.95 1s64 s HIS 261 Ca 0.12 -0.37 0.21 0.00 -0.80 0.00 0.00 55.06 54.22 1s64 s HIS 261 Cb -0.10 -1.68 0.16 0.00 -1.43 0.00 0.00 32.58 29.52 1s64 s HIS 261 CO 0.05 0.30 1.35 0.78 -2.00 0.00 0.00 174.74 175.22 1s64 h GLY 262 N 1.48 0.00 -3.49 -1.38 0.00 -1.87 -3.46 103.07 94.36 1s64 h GLY 262 Ca -0.44 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1s64 h GLY 262 CO 0.62 0.00 0.13 1.09 0.00 0.00 0.00 176.54 178.38 1s64 s ARG 263 N -3.20 1.13 0.23 4.80 1.70 -1.26 0.38 118.95 122.73 1s64 s ARG 263 Ca 0.03 -0.21 -0.29 0.00 -0.47 0.00 0.00 55.73 54.80 1s64 s ARG 263 Cb 0.07 0.52 -0.16 0.00 -0.57 0.00 0.00 34.95 34.81 1s64 s ARG 263 CO 0.73 -0.43 0.82 -2.30 -1.08 0.00 0.00 175.30 173.05 1s64 n PRO 264 N 0.24 0.73 -1.93 3.89 -0.02 -1.26 -2.30 135.00 134.35 1s64 n PRO 264 Ca -0.18 0.26 -0.20 0.00 -2.02 0.00 0.00 63.50 61.36 1s64 n PRO 264 Cb 0.61 -1.49 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.63 -5.58 -4.51 2.55 3.02 -1.26 -5.01 115.26 106.10 1s64 n ASN 265 Ca 0.14 0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.68 1s64 n ASN 265 Cb 0.28 -4.74 -0.11 0.00 -0.61 0.00 0.00 39.78 34.59 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 -4.27 1.86 0.54 3.52 -0.14 -0.97 -5.12 119.74 115.16 1s64 s LYS 266 Ca 0.00 -1.22 -0.20 0.00 -1.36 0.00 0.00 55.97 53.19 1s64 s LYS 266 Cb 0.00 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 33.98 1s64 s LYS 266 CO 0.00 0.46 1.15 -1.25 -0.76 0.00 0.00 175.35 174.95 1s64 s PRO 267 N -2.38 3.33 0.73 -1.68 0.04 -1.26 -4.78 135.00 129.00 1s64 s PRO 267 Ca 0.20 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1s64 s PRO 267 Cb -0.10 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1s64 s PRO 267 CO 0.12 -0.88 1.15 0.14 0.04 0.00 0.00 177.00 177.56 1s64 s VAL 268 N -1.72 2.74 -0.08 -0.36 -7.23 -1.26 -4.58 120.40 107.90 1s64 s VAL 268 Ca 0.73 0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 61.18 1s64 s VAL 268 Cb -0.25 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 33.94 1s64 s VAL 268 CO 0.29 -0.23 0.18 -0.62 -0.31 0.00 0.00 175.10 174.40 1s64 s ASP 269 N -2.49 0.04 0.28 4.85 -1.08 -0.20 -4.83 116.67 113.25 1s64 s ASP 269 Ca 0.69 0.38 -0.04 0.00 -0.52 0.00 0.00 52.55 53.06 1s64 s ASP 269 Cb -0.24 0.29 0.57 0.00 -1.46 0.00 0.00 42.92 42.08 1s64 s ASP 269 CO 0.47 -0.18 1.51 0.41 0.52 0.00 0.00 175.17 177.90 1s64 n THR 270 N 4.49 -0.41 0.22 1.71 -1.04 -0.80 -1.04 114.28 117.42 1s64 n THR 270 Ca -0.21 2.17 0.18 0.00 -2.04 0.00 0.00 64.05 64.15 1s64 n THR 270 Cb 0.51 -3.08 0.85 0.00 -1.82 0.00 0.00 70.33 66.80 1s64 n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s64 h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.33 -1.24 116.97 114.45 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 0.52 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1s64 h TYR 272 CO 0.00 0.00 -0.07 0.77 -1.05 0.00 0.00 178.16 177.81 1s64 h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.18 0.01 113.55 116.28 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 0.44 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1s64 h SER 273 CO 0.00 0.07 -1.84 0.33 -1.14 0.00 0.00 176.83 174.25 1s64 n PHE 274 N -3.74 0.35 -0.07 3.45 7.35 -0.54 -2.87 117.46 121.39 1s64 n PHE 274 Ca -0.02 0.15 -0.09 0.00 -0.76 0.00 0.00 57.45 56.73 1s64 n PHE 274 Cb 0.17 -0.94 -0.03 0.00 0.35 0.00 0.00 39.48 39.02 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 -0.92 0.11 -5.13 4.06 -1.25 0.69 115.95 112.52 1s64 h TRP 275 Ca -0.46 0.05 -0.18 0.00 2.06 0.00 0.00 58.89 60.36 1s64 h TRP 275 Cb 1.37 0.44 0.02 0.00 -1.00 0.00 0.00 29.16 29.99 1s64 h TRP 275 CO -0.09 -0.39 -0.76 0.28 -3.56 0.00 0.00 178.44 173.91 1s64 h VAL 276 N -0.32 1.49 -0.70 1.49 2.07 -1.22 -3.03 116.25 116.04 1s64 h VAL 276 Ca 0.14 -2.43 0.06 0.00 0.82 0.00 0.00 66.70 65.29 1s64 h VAL 276 Cb 0.54 3.06 -0.06 0.00 -1.52 0.00 0.00 31.29 33.32 1s64 h VAL 276 CO -0.46 0.69 0.39 1.23 0.02 0.00 0.00 177.57 179.45 1s64 h GLY 277 N -0.31 1.03 1.59 2.17 0.00 -1.37 0.38 103.07 106.56 1s64 h GLY 277 Ca -0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1s64 h GLY 277 CO 0.14 0.16 -0.16 0.00 0.00 0.00 0.00 176.54 176.69 1s64 h ALA 278 N 1.36 1.21 -0.25 3.60 0.00 0.30 -0.30 119.26 125.17 1s64 h ALA 278 Ca 0.31 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1s64 h ALA 278 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s64 h ALA 278 CO -0.19 0.51 0.01 1.15 0.00 0.00 0.00 179.25 180.73 1s64 h THR 279 N 0.45 1.25 -0.54 0.00 2.02 -1.14 -0.35 112.91 114.61 1s64 h THR 279 Ca 0.08 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1s64 h THR 279 Cb 0.54 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1s64 h THR 279 CO 0.03 0.28 0.32 -0.07 0.37 0.00 0.00 175.52 176.45 1s64 h LEU 280 N 0.23 0.64 -0.34 2.58 3.38 -0.61 -0.32 115.31 120.87 1s64 h LEU 280 Ca 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1s64 h LEU 280 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1s64 h LEU 280 CO 0.01 0.50 -0.05 0.50 0.09 0.00 0.00 178.44 179.49 1s64 h LYS 281 N 0.74 0.63 -0.09 1.13 1.63 -0.67 -0.27 116.57 119.67 1s64 h LYS 281 Ca 0.19 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1s64 h LYS 281 Cb -0.02 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1s64 h LYS 281 CO -0.04 0.79 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.54 1s64 h LEU 282 N 0.42 0.13 -1.09 5.20 3.38 -0.28 -1.34 115.31 121.73 1s64 h LEU 282 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s64 h LEU 282 Cb 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.25 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 -4.31 1.62 -2.43 1.67 4.77 -0.20 -4.94 117.00 113.18 1s64 n LEU 283 Ca -0.01 -0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 55.04 1s64 n LEU 283 Cb 0.25 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1s64 n LEU 283 CO 0.37 0.36 -0.18 0.29 -1.33 0.00 0.00 177.39 176.90 1s64 n LYS 284 N 0.32 -2.48 -0.10 3.23 5.02 -0.51 -4.89 118.16 118.76 1s64 n LYS 284 Ca 0.14 0.93 0.01 0.00 -2.02 0.00 0.00 58.31 57.38 1s64 n LYS 284 Cb 0.30 -5.57 0.02 0.00 -0.02 0.00 0.00 35.03 29.75 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 -4.15 0.51 0.24 -0.18 -5.35 -0.21 -4.74 119.36 105.48 1s64 n ILE 285 Ca -0.20 -0.55 0.07 0.00 -0.27 0.00 0.00 62.75 61.80 1s64 n ILE 285 Cb 0.66 0.62 0.58 0.00 -1.74 0.00 0.00 39.64 39.76 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 0.00 0.00 4.28 3.57 -1.78 -1.50 116.94 121.51 1s64 h PHE 286 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s64 h PHE 286 Cb 0.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1s64 h PHE 286 CO 0.02 0.14 0.04 -0.56 -2.23 0.00 0.00 178.31 175.72 1s64 h GLN 287 N 0.00 0.00 -0.29 1.11 3.07 -1.88 -1.55 115.11 115.56 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.83 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 -3.01 0.37 -2.25 0.06 0.53 -0.56 -4.94 117.16 107.36 1s64 n TYR 288 Ca -0.03 -0.18 -0.26 0.00 -1.02 0.00 0.00 57.90 56.41 1s64 n TYR 288 Cb 0.11 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.50 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 -1.63 2.24 -0.48 -0.72 -4.23 -0.59 -5.02 115.64 105.22 1s64 s THR 289 Ca 0.36 -0.31 -0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1s64 s THR 289 Cb 0.21 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1s64 s THR 289 CO 0.30 0.00 0.71 0.21 -0.54 0.00 0.00 174.62 175.30 1s64 s ASN 290 N -4.59 6.31 0.04 3.99 3.84 -1.26 -4.94 114.94 118.33 1s64 s ASN 290 Ca 0.63 -0.45 -0.21 0.00 0.21 0.00 0.00 52.86 53.03 1s64 s ASN 290 Cb -0.09 -2.34 -0.14 0.00 -0.55 0.00 0.00 41.25 38.13 1s64 s ASN 290 CO 0.45 -0.91 1.40 -0.26 -2.79 0.00 0.00 177.10 175.00 1s64 h PHE 291 N 9.00 0.32 -0.39 0.43 0.05 -1.95 -3.21 116.94 121.19 1s64 h PHE 291 Ca -0.26 -0.08 0.03 0.00 3.82 0.00 0.00 57.97 61.48 1s64 h PHE 291 Cb 1.09 -0.07 -0.03 0.00 2.00 0.00 0.00 35.95 38.93 1s64 h PHE 291 CO 0.78 0.60 0.20 0.93 -0.18 0.00 0.00 178.31 180.64 1s64 h GLU 292 N -0.05 0.40 -0.12 1.51 4.39 -1.97 0.54 114.58 119.26 1s64 h GLU 292 Ca 0.03 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1s64 h GLU 292 Cb 0.51 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1s64 h GLU 292 CO 0.02 0.26 -0.26 0.87 -1.16 0.00 0.00 179.01 178.74 1s64 h LYS 293 N 0.41 0.22 -0.08 2.33 1.57 -1.85 0.66 116.57 119.83 1s64 h LYS 293 Ca 0.16 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1s64 h LYS 293 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1s64 h LYS 293 CO -0.11 0.48 -0.15 -0.97 -0.57 0.00 0.00 179.45 178.13 1s64 h ASN 294 N 0.20 0.27 -0.58 0.86 -1.24 -1.12 -2.14 115.58 111.84 1s64 h ASN 294 Ca 0.03 -0.56 -0.01 0.00 0.71 0.00 0.00 56.30 56.47 1s64 h ASN 294 Cb 0.58 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 1s64 h ASN 294 CO 0.04 0.78 0.31 -0.09 -1.29 0.00 0.00 177.43 177.18 1s64 h ARG 295 N -0.23 0.81 -0.77 6.67 2.43 -0.69 -1.31 114.38 121.29 1s64 h ARG 295 Ca 0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1s64 h ARG 295 Cb 0.73 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1s64 h ARG 295 CO 0.03 0.63 0.45 -0.91 -1.51 0.00 0.00 179.97 178.66 1s64 h ASN 296 N 0.78 0.95 0.13 -3.80 2.35 -0.87 -1.51 115.58 113.60 1s64 h ASN 296 Ca 0.20 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1s64 h ASN 296 Cb 0.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1s64 h ASN 296 CO -0.03 0.75 -0.06 0.22 -1.65 0.00 0.00 177.43 176.66 1s64 h TYR 297 N 1.06 -0.16 -0.27 1.19 3.20 -1.02 -1.57 116.97 119.40 1s64 h TYR 297 Ca 0.28 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.20 1s64 h TYR 297 Cb -0.00 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1s64 h TYR 297 CO -0.00 0.03 -0.13 0.82 -1.64 0.00 0.00 178.16 177.24 1s64 h ILE 298 N -0.34 0.60 0.00 1.81 2.04 -1.08 -1.11 117.51 119.43 1s64 h ILE 298 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1s64 h ILE 298 Cb 0.27 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1s64 h ILE 298 CO 0.03 0.00 -0.12 -0.07 0.00 0.00 0.00 178.15 177.99 1s64 h LEU 299 N -0.09 0.00 -0.32 1.44 3.38 -1.22 -1.75 115.31 116.75 1s64 h LEU 299 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1s64 h LEU 299 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s64 h LEU 299 CO -0.33 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 176.78 1s64 n SER 300 N -4.28 0.32 -1.27 -0.43 3.41 -0.43 -1.81 113.62 109.13 1s64 n SER 300 Ca -0.03 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 1s64 n SER 300 Cb 0.20 -0.64 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 -1.85 0.89 -2.48 6.66 -2.24 -0.66 -4.31 114.28 110.29 1s64 n THR 301 Ca 0.03 -0.94 -0.40 0.00 -2.27 0.00 0.00 64.05 60.46 1s64 n THR 301 Cb 0.20 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.10 4.64 -0.53 -0.78 0.74 -0.75 -0.90 119.66 120.99 1s64 s GLN 302 Ca 0.45 1.80 -0.17 0.00 0.05 0.00 0.00 55.36 57.49 1s64 s GLN 302 Cb 0.24 -3.19 0.09 0.00 1.10 0.00 0.00 33.01 31.25 1s64 s GLN 302 CO 0.32 0.21 0.56 0.34 -0.55 0.00 0.00 175.29 176.17 1s64 s ASP 303 N -0.87 6.19 0.34 6.67 -1.08 -0.65 -4.86 116.67 122.41 1s64 s ASP 303 Ca 0.44 -1.33 0.25 0.00 -0.52 0.00 0.00 52.55 51.40 1s64 s ASP 303 Cb -0.32 -2.25 1.21 0.00 -1.46 0.00 0.00 42.92 40.10 1s64 s ASP 303 CO 0.41 -0.88 1.76 0.03 0.52 0.00 0.00 175.17 177.01 1s64 h ARG 304 N 8.96 0.00 0.00 4.34 3.08 -1.88 0.24 114.38 129.11 1s64 h ARG 304 Ca -0.29 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.58 1s64 h ARG 304 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1s64 h ARG 304 CO 0.99 0.00 -1.35 -0.11 -1.07 0.00 0.00 179.97 178.43 1s64 n LEU 305 N -2.37 1.89 0.01 3.04 -0.00 -1.26 -4.64 117.00 113.66 1s64 n LEU 305 Ca -0.00 0.44 0.11 0.00 -0.00 0.00 0.00 56.01 56.55 1s64 n LEU 305 Cb 0.13 -0.86 -0.05 0.00 -0.00 0.00 0.00 43.42 42.65 1s64 n LEU 305 CO 0.16 0.05 -0.11 1.33 -0.00 0.00 0.00 177.39 178.81 1s64 n VAL 306 N -4.44 0.07 -0.39 1.96 0.24 -1.23 -5.09 118.33 109.45 1s64 n VAL 306 Ca -0.28 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1s64 n VAL 306 Cb 0.60 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 1.41 -3.03 0.26 7.63 0.00 0.84 -4.47 105.19 107.84 1s64 n GLY 307 Ca 0.02 -1.80 0.03 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 -0.43 -1.77 3.32 -0.02 0.00 -1.26 -4.27 105.19 100.76 1s64 n GLY 308 Ca 0.00 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.79 1.84 0.51 1.61 0.40 -1.26 -1.64 117.98 117.66 1s64 s PHE 309 Ca 0.00 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1s64 s PHE 309 Cb 0.00 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.60 1s64 s PHE 309 CO 0.00 0.29 0.32 0.00 0.70 0.00 0.00 175.22 176.54 1s64 s ALA 310 N -1.70 4.26 0.11 5.36 0.00 -0.08 -2.65 121.76 127.06 1s64 s ALA 310 Ca 0.13 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1s64 s ALA 310 Cb -0.07 -0.61 -0.20 0.00 0.00 0.00 0.00 23.12 22.23 1s64 s ALA 310 CO 0.06 -0.34 1.28 1.57 0.00 0.00 0.00 175.76 178.33 1s64 h LYS 311 N 0.93 0.00 -5.05 0.00 2.10 -1.87 -3.41 116.57 109.27 1s64 h LYS 311 Ca -0.39 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.94 1s64 h LYS 311 Cb 1.29 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.48 1s64 h LYS 311 CO 0.61 0.99 -0.71 -1.58 -2.00 0.00 0.00 179.45 176.76 1s64 s TRP 312 N -2.72 1.26 0.52 0.07 0.51 -1.26 -1.90 118.94 115.42 1s64 s TRP 312 Ca 0.01 -0.77 -0.21 0.00 -2.12 0.00 0.00 56.10 53.01 1s64 s TRP 312 Cb 0.10 -0.64 -0.06 0.00 -0.81 0.00 0.00 33.47 32.06 1s64 s TRP 312 CO 0.82 0.07 1.24 -1.25 -0.51 0.00 0.00 176.95 177.32 1s64 s PRO 313 N -3.75 3.35 -1.58 4.98 0.04 -1.26 -2.86 135.00 133.92 1s64 s PRO 313 Ca 0.17 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1s64 s PRO 313 Cb 0.03 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1s64 s PRO 313 CO 0.01 -0.94 0.34 -0.25 0.04 0.00 0.00 177.00 176.20 1s64 n ASP 314 N -0.95 -5.83 -4.51 6.66 10.43 -1.26 -4.99 116.55 116.09 1s64 n ASP 314 Ca 0.10 -0.17 -0.25 0.00 2.57 0.00 0.00 54.79 57.04 1s64 n ASP 314 Cb 0.47 -4.74 -0.10 0.00 1.84 0.00 0.00 41.12 38.59 1s64 n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1s64 s SER 315 N -2.46 3.56 0.15 -2.24 0.15 -1.13 -5.11 113.70 106.61 1s64 s SER 315 Ca 0.17 -1.16 -0.30 0.00 0.70 0.00 0.00 55.95 55.35 1s64 s SER 315 Cb -0.07 -0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 1s64 s SER 315 CO 0.21 -0.17 1.19 -1.00 1.20 0.00 0.00 173.24 174.66 1s64 s HIS 316 N -2.65 3.45 0.55 3.44 3.76 -1.26 -4.69 115.29 117.90 1s64 s HIS 316 Ca 0.31 1.41 -0.13 0.00 -0.15 0.00 0.00 55.06 56.50 1s64 s HIS 316 Cb 0.01 -3.41 -0.06 0.00 1.11 0.00 0.00 32.58 30.24 1s64 s HIS 316 CO 0.15 -1.15 0.98 -1.25 -0.85 0.00 0.00 174.74 172.63 1s64 s PRO 317 N 0.16 3.77 0.16 8.40 0.04 -1.26 -4.57 135.00 141.70 1s64 s PRO 317 Ca 0.54 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 1s64 s PRO 317 Cb -0.31 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1s64 s PRO 317 CO 0.34 -0.38 0.24 0.16 0.04 0.00 0.00 177.00 177.40 1s64 s ASP 318 N -3.60 0.09 0.20 6.66 1.47 -1.09 -4.95 116.67 115.46 1s64 s ASP 318 Ca 0.56 -0.95 -0.10 0.00 1.18 0.00 0.00 52.55 53.24 1s64 s ASP 318 Cb -0.10 0.41 0.22 0.00 -0.34 0.00 0.00 42.92 43.11 1s64 s ASP 318 CO 0.42 -0.87 1.80 0.00 0.68 0.00 0.00 175.17 177.20 1s64 h ALA 319 N 2.60 0.84 0.09 2.11 0.00 -1.97 -1.27 119.26 121.65 1s64 h ALA 319 Ca -0.32 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1s64 h ALA 319 Cb 1.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1s64 h ALA 319 CO 0.50 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.95 1s64 h LEU 320 N 0.63 -0.12 -0.95 0.00 6.46 -1.95 -0.83 115.31 118.55 1s64 h LEU 320 Ca 0.28 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1s64 h LEU 320 Cb 0.19 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1s64 h LEU 320 CO -0.18 -0.09 -0.30 0.45 -0.62 0.00 0.00 178.44 177.70 1s64 h HIS 321 N -0.14 0.00 -0.14 1.25 3.86 -1.77 -0.62 115.15 117.59 1s64 h HIS 321 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1s64 h HIS 321 Cb 0.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1s64 h HIS 321 CO -0.08 0.30 -0.08 0.00 0.86 0.00 0.00 177.93 178.93 1s64 h ALA 322 N 1.70 0.20 -0.07 2.45 0.00 -0.98 0.61 119.26 123.18 1s64 h ALA 322 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1s64 h ALA 322 Cb 0.85 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1s64 h ALA 322 CO 0.04 0.02 0.01 -0.92 0.00 0.00 0.00 179.25 178.39 1s64 h TYR 323 N -0.04 0.12 -0.04 0.00 3.20 -0.94 -1.85 116.97 117.43 1s64 h TYR 323 Ca 0.03 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1s64 h TYR 323 Cb 0.56 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1s64 h TYR 323 CO 0.07 0.35 -0.44 0.74 -1.64 0.00 0.00 178.16 177.25 1s64 h PHE 324 N -0.14 0.09 -0.49 -3.82 -1.00 -1.16 -0.28 116.94 110.14 1s64 h PHE 324 Ca 0.02 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1s64 h PHE 324 Cb 0.30 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1s64 h PHE 324 CO 0.02 0.51 0.10 0.78 -1.61 0.00 0.00 178.31 178.10 1s64 h GLY 325 N 1.31 0.86 1.01 -1.45 0.00 -0.79 0.18 103.07 104.19 1s64 h GLY 325 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1s64 h GLY 325 CO 0.06 0.52 0.12 -2.22 0.00 0.00 0.00 176.54 175.02 1s64 h ILE 326 N 0.67 1.25 -0.13 2.60 2.04 -0.95 -1.07 117.51 121.92 1s64 h ILE 326 Ca 0.15 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 1s64 h ILE 326 Cb 0.37 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1s64 h ILE 326 CO 0.01 0.34 -0.28 0.00 0.00 0.00 0.00 178.15 178.21 1s64 h GLY 328 N 1.01 0.71 1.02 0.00 0.00 -0.14 -1.92 103.07 103.74 1s64 h GLY 328 Ca 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1s64 h GLY 328 CO 0.04 0.44 0.40 1.41 0.00 0.00 0.00 176.54 178.84 1s64 h LEU 329 N 0.51 1.01 -1.26 3.11 4.07 -0.82 -2.72 115.31 119.21 1s64 h LEU 329 Ca 0.12 -0.12 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1s64 h LEU 329 Cb 0.38 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 1s64 h LEU 329 CO 0.01 0.84 0.53 -1.28 -1.08 0.00 0.00 178.44 177.46 1s64 h SER 330 N 1.10 0.80 -0.32 -0.43 0.87 -0.63 -1.32 113.55 113.62 1s64 h SER 330 Ca 0.27 -0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 1s64 h SER 330 Cb 0.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1s64 h SER 330 CO -0.04 0.53 0.26 -0.07 -0.53 0.00 0.00 176.83 176.98 1s64 h LEU 331 N 0.92 0.00 -2.99 2.23 4.07 -1.02 0.23 115.31 118.74 1s64 h LEU 331 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1s64 h LEU 331 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1s64 h LEU 331 CO -0.11 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.48 1s64 n MET 332 N -4.20 3.33 -3.36 1.13 2.81 -0.51 -4.98 117.12 111.34 1s64 n MET 332 Ca 0.05 -2.78 -0.19 0.00 -1.81 0.00 0.00 57.70 52.97 1s64 n MET 332 Cb 0.42 -1.75 0.06 0.00 -0.71 0.00 0.00 33.22 31.25 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 1.28 -2.34 -1.90 0.03 1.02 0.82 -4.95 120.64 114.60 1s64 n GLU 333 Ca 0.25 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.75 1s64 n GLU 333 Cb 0.78 -5.47 -0.01 0.00 -0.02 0.00 0.00 31.44 26.71 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 -4.81 4.19 -0.27 3.49 2.56 -1.16 -4.90 118.70 117.82 1s64 s GLU 334 Ca 0.43 2.45 -0.28 0.00 0.00 0.00 0.00 54.97 57.56 1s64 s GLU 334 Cb -0.08 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 32.99 1s64 s GLU 334 CO 0.77 -0.47 1.91 0.45 -0.56 0.00 0.00 175.26 177.36 1s64 s SER 335 N 0.07 5.85 0.00 -1.70 0.15 -1.26 -2.13 113.70 114.68 1s64 s SER 335 Ca 0.56 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1s64 s SER 335 Cb -0.45 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 1s64 s SER 335 CO 0.53 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.88 1s64 n GLY 336 N 5.39 0.79 3.11 9.45 0.00 -1.26 -5.06 105.19 117.61 1s64 n GLY 336 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.54 0.95 -0.61 1.01 -0.91 -4.70 121.20 116.48 1s64 s ILE 337 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 1s64 s ILE 337 Cb 0.00 -1.36 0.16 0.00 0.01 0.00 0.00 42.46 41.27 1s64 s ILE 337 CO 0.00 0.45 1.11 0.00 0.00 0.00 0.00 174.94 176.50 1s64 s LYS 339 N -4.58 4.78 0.13 0.00 2.20 -1.26 -4.77 119.74 116.23 1s64 s LYS 339 Ca 0.67 1.55 -0.07 0.00 -0.36 0.00 0.00 55.97 57.76 1s64 s LYS 339 Cb -0.23 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1s64 s LYS 339 CO 0.59 0.39 0.40 0.54 -0.36 0.00 0.00 175.35 176.91 1s64 s VAL 340 N -0.92 5.12 -0.51 4.02 0.11 -1.26 -1.16 120.40 125.79 1s64 s VAL 340 Ca 0.43 0.22 -0.24 0.00 -2.93 0.00 0.00 61.98 59.46 1s64 s VAL 340 Cb -0.27 -3.63 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1s64 s VAL 340 CO 0.33 0.11 0.89 -2.28 -3.33 0.00 0.00 175.10 170.82 1s64 s HIS 341 N -1.59 2.87 0.54 1.54 2.46 0.10 -4.70 115.29 116.52 1s64 s HIS 341 Ca 0.39 0.04 0.31 0.00 0.47 0.00 0.00 55.06 56.27 1s64 s HIS 341 Cb -0.13 -3.94 1.48 0.00 -0.13 0.00 0.00 32.58 29.86 1s64 s HIS 341 CO 0.22 -1.22 1.89 -1.00 -2.47 0.00 0.00 174.74 172.16 1s64 h PRO 342 N 9.19 0.00 0.04 2.88 0.13 -1.92 0.14 132.00 142.46 1s64 h PRO 342 Ca -0.26 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.49 1s64 h PRO 342 Cb 1.08 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1s64 h PRO 342 CO 1.04 0.00 -2.31 0.00 -0.23 0.00 0.00 178.00 176.51 1s64 n ALA 343 N -2.67 1.24 0.19 -0.56 0.00 -1.26 -4.42 120.51 113.03 1s64 n ALA 343 Ca 0.17 -0.93 0.11 0.00 0.00 0.00 0.00 53.44 52.80 1s64 n ALA 343 Cb 0.93 -0.31 0.13 0.00 0.00 0.00 0.00 19.45 20.19 1s64 n ALA 343 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s64 h LEU 344 N 0.03 0.00 -1.20 0.00 5.85 -1.91 -3.47 115.31 114.61 1s64 h LEU 344 Ca -0.52 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 57.90 1s64 h LEU 344 Cb 1.95 0.00 0.12 0.00 0.37 0.00 0.00 40.66 43.10 1s64 h LEU 344 CO -0.03 0.03 -0.57 -3.20 -0.34 0.00 0.00 178.44 174.33 1s64 n ASN 345 N -3.02 -4.20 -4.14 1.25 5.15 0.48 -5.03 115.26 105.75 1s64 n ASN 345 Ca 0.03 -0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 53.44 1s64 n ASN 345 Cb 0.55 -4.15 -0.09 0.00 -0.53 0.00 0.00 39.78 35.55 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 -3.27 0.02 0.61 3.44 -7.23 -1.25 -4.96 120.40 107.76 1s64 s VAL 346 Ca 0.29 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 1s64 s VAL 346 Cb -0.13 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 1s64 s VAL 346 CO 0.58 -0.09 1.15 -0.94 -0.31 0.00 0.00 175.10 175.50 1s64 s SER 347 N -3.11 5.26 0.37 4.85 1.04 -1.26 0.03 113.70 120.89 1s64 s SER 347 Ca 0.32 2.21 0.05 0.00 0.48 0.00 0.00 55.95 59.02 1s64 s SER 347 Cb 0.05 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.31 1s64 s SER 347 CO 0.09 -1.53 1.97 0.71 0.98 0.00 0.00 173.24 175.46 1s64 h THR 348 N 0.67 1.15 -0.68 2.02 1.35 -1.42 -0.06 112.91 115.94 1s64 h THR 348 Ca -0.49 -0.48 0.12 0.00 -0.55 0.00 0.00 66.41 65.01 1s64 h THR 348 Cb 1.27 0.68 -0.09 0.00 -1.73 0.00 0.00 68.15 68.29 1s64 h THR 348 CO 0.55 0.19 0.24 -0.09 -0.25 0.00 0.00 175.52 176.15 1s64 h ARG 349 N 0.56 0.38 -0.31 4.72 2.43 -1.90 0.15 114.38 120.41 1s64 h ARG 349 Ca 0.14 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 1s64 h ARG 349 Cb 0.12 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1s64 h ARG 349 CO -0.01 0.25 -0.42 1.15 -1.51 0.00 0.00 179.97 179.42 1s64 h THR 350 N 0.39 1.29 0.00 0.20 2.02 -1.41 -1.88 112.91 113.51 1s64 h THR 350 Ca 0.37 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 1s64 h THR 350 Cb 0.53 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1s64 h THR 350 CO -0.38 0.52 -0.34 0.77 0.37 0.00 0.00 175.52 176.45 1s64 h SER 351 N 0.63 0.00 -0.11 4.18 4.64 0.02 -0.55 113.55 122.36 1s64 h SER 351 Ca 0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1s64 h SER 351 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1s64 h SER 351 CO 0.09 0.34 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.91 1s64 h GLU 352 N 0.00 0.30 -0.78 4.77 5.08 -0.57 -0.34 114.58 123.04 1s64 h GLU 352 Ca -0.00 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1s64 h GLU 352 Cb 0.62 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1s64 h GLU 352 CO 0.04 0.74 0.51 -0.09 -1.00 0.00 0.00 179.01 179.22 1s64 h ARG 353 N -0.13 0.78 -0.32 2.33 1.12 -1.07 0.46 114.38 117.54 1s64 h ARG 353 Ca 0.01 -0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 58.71 1s64 h ARG 353 Cb 0.71 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1s64 h ARG 353 CO 0.04 0.51 -0.31 1.25 -3.11 0.00 0.00 179.97 178.35 1s64 h LEU 354 N 0.80 0.72 -0.80 3.80 5.85 -0.81 -1.71 115.31 123.15 1s64 h LEU 354 Ca 0.34 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1s64 h LEU 354 Cb 0.31 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1s64 h LEU 354 CO -0.12 0.97 0.25 -0.09 -0.34 0.00 0.00 178.44 179.12 1s64 h ARG 355 N 0.59 1.14 -0.47 1.25 2.43 0.83 -1.64 114.38 118.51 1s64 h ARG 355 Ca 0.07 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 1s64 h ARG 355 Cb 0.82 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1s64 h ARG 355 CO 0.07 0.96 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.83 1s64 h ASP 356 N 1.10 0.99 -0.77 -3.80 3.32 -1.05 -1.63 116.42 114.59 1s64 h ASP 356 Ca 0.24 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1s64 h ASP 356 Cb 0.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1s64 h ASP 356 CO -0.01 1.16 0.51 -0.07 -1.72 0.00 0.00 179.24 179.11 1s64 h LEU 357 N 0.84 0.83 -0.20 1.55 3.38 -0.94 -1.14 115.31 119.64 1s64 h LEU 357 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1s64 h LEU 357 Cb 0.78 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1s64 h LEU 357 CO 0.07 0.58 -0.17 0.45 0.09 0.00 0.00 178.44 179.46 1s64 h HIS 358 N 0.97 0.55 -0.55 1.13 3.86 -0.93 -2.68 115.15 117.50 1s64 h HIS 358 Ca 0.30 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1s64 h HIS 358 Cb -0.00 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1s64 h HIS 358 CO -0.00 0.80 0.37 1.96 0.86 0.00 0.00 177.93 181.92 1s64 h GLN 359 N 0.13 0.70 -0.03 2.45 7.50 -0.81 -2.09 115.11 122.96 1s64 h GLN 359 Ca 0.03 -0.04 -0.17 0.00 0.50 0.00 0.00 58.65 58.98 1s64 h GLN 359 Cb 0.70 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 1s64 h GLN 359 CO 0.04 0.46 -0.72 0.66 -1.50 0.00 0.00 178.83 177.78 1s64 h SER 360 N 0.72 0.23 0.17 1.46 4.64 -1.16 -3.00 113.55 116.62 1s64 h SER 360 Ca 0.21 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1s64 h SER 360 Cb -0.04 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1s64 h SER 360 CO -0.05 0.87 -0.28 -0.50 -0.87 0.00 0.00 176.83 176.00 1s64 h TRP 361 N 0.13 0.21 -1.46 4.77 6.55 -1.03 -3.37 115.95 121.74 1s64 h TRP 361 Ca -0.02 -0.04 -0.48 0.00 0.95 0.00 0.00 58.89 59.30 1s64 h TRP 361 Cb 1.28 -0.05 -0.07 0.00 -0.86 0.00 0.00 29.16 29.45 1s64 h TRP 361 CO 0.02 0.46 1.16 0.15 -1.05 0.00 0.00 178.44 179.18 1s64 s LYS 362 N -4.40 3.01 0.00 0.49 3.01 -1.03 -5.13 119.74 115.69 1s64 s LYS 362 Ca -0.05 -0.32 0.00 0.00 -1.01 0.00 0.00 55.97 54.59 1s64 s LYS 362 Cb 0.14 -4.81 0.00 0.00 -1.01 0.00 0.00 37.83 32.16 1s64 s LYS 362 CO 0.75 -2.63 0.00 0.25 0.51 0.00 0.00 175.35 174.22