#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kua n PRO -4 N 0.00 0.49 -1.95 1.61 -0.04 -1.26 -4.61 135.00 129.24 2kua n PRO -4 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2kua n PRO -4 Cb 0.00 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 2kua n PRO -4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kua s LEU -3 N -1.89 2.99 0.00 1.53 0.20 -1.26 -4.44 118.68 115.81 2kua s LEU -3 Ca 0.21 -1.00 0.00 0.00 0.69 0.00 0.00 54.13 54.03 2kua s LEU -3 Cb 0.10 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.28 2kua s LEU -3 CO 0.16 -3.24 0.00 0.61 -0.29 0.00 0.00 176.35 173.59 2kua n GLY -2 N 6.37 2.50 2.64 7.98 0.00 -1.26 -5.05 105.19 118.37 2kua n GLY -2 Ca 0.43 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 2kua n GLY -2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kua n SER 0 N 0.00 2.94 -0.10 1.61 2.88 -1.26 -4.92 113.62 114.77 2kua n SER 0 Ca 0.00 -3.22 0.12 0.00 -1.33 0.00 0.00 58.87 54.43 2kua n SER 0 Cb 0.00 -0.70 0.49 0.00 -0.75 0.00 0.00 64.21 63.24 2kua n SER 0 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kua h MET 1 N 4.84 0.43 -2.58 -1.46 -0.00 -1.98 -3.45 114.93 110.74 2kua h MET 1 Ca 0.17 -0.03 0.13 0.00 -0.00 0.00 0.00 59.70 59.98 2kua h MET 1 Cb 0.73 -0.10 -0.04 0.00 -0.00 0.00 0.00 31.60 32.20 2kua h MET 1 CO 0.73 0.28 0.51 0.00 -0.00 0.00 0.00 176.91 178.43 2kua s ALA 2 N -5.42 -1.46 -0.05 -3.00 0.00 -1.26 -5.01 121.76 105.55 2kua s ALA 2 Ca -0.08 -0.31 0.09 0.00 0.00 0.00 0.00 51.96 51.66 2kua s ALA 2 Cb 0.20 0.72 -0.13 0.00 0.00 0.00 0.00 23.12 23.91 2kua s ALA 2 CO 0.75 -1.05 0.21 -3.47 0.00 0.00 0.00 175.76 172.21 2kua n ASP 3 N -1.09 2.72 0.00 0.00 2.03 -1.26 -4.62 116.55 114.32 2kua n ASP 3 Ca -0.04 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2kua n ASP 3 Cb 0.60 1.36 0.00 0.00 -0.72 0.00 0.00 41.12 42.36 2kua n ASP 3 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kua n SER 4 N -1.74 0.96 -1.35 1.67 2.88 -1.26 -4.67 113.62 110.10 2kua n SER 4 Ca -0.01 -1.33 0.12 0.00 -1.33 0.00 0.00 58.87 56.31 2kua n SER 4 Cb 0.22 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.00 2kua n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kua n GLN 5 N -0.17 2.70 -4.33 -1.46 1.13 -1.26 -4.93 117.38 109.06 2kua n GLN 5 Ca 0.00 -2.63 -0.33 0.00 -1.94 0.00 0.00 57.00 52.10 2kua n GLN 5 Cb 0.22 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 28.91 2kua n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2kua s ASP 6 N -1.03 5.02 0.00 1.08 1.11 -1.26 -4.97 116.67 116.62 2kua s ASP 6 Ca 0.49 -0.03 0.11 0.00 0.18 0.00 0.00 52.55 53.30 2kua s ASP 6 Cb 0.25 -1.29 0.67 0.00 1.07 0.00 0.00 42.92 43.63 2kua s ASP 6 CO 0.33 0.29 1.11 -0.81 1.18 0.00 0.00 175.17 177.27 2kua n PRO 7 N 1.49 0.49 0.28 8.23 -0.04 -1.26 -3.11 135.00 141.07 2kua n PRO 7 Ca -0.15 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.50 2kua n PRO 7 Cb 0.53 -1.36 0.88 0.00 -0.04 0.00 0.00 33.50 33.51 2kua n PRO 7 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kua h LEU 8 N 0.00 0.00 0.33 1.53 5.85 -1.97 -2.90 115.31 118.15 2kua h LEU 8 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2kua h LEU 8 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2kua h LEU 8 CO 0.00 0.00 -0.16 1.12 -0.34 0.00 0.00 178.44 179.06 2kua h HIS 9 N 0.00 -0.41 0.00 1.25 2.07 -1.93 -2.33 115.15 113.81 2kua h HIS 9 Ca 0.00 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 2kua h HIS 9 Cb 0.24 0.14 -0.00 0.00 2.57 0.00 0.00 27.41 30.35 2kua h HIS 9 CO 0.00 -0.09 -0.03 1.49 -3.07 0.00 0.00 177.93 176.23 2kua h GLU 10 N -0.75 0.00 -0.00 5.12 4.81 -1.81 -2.19 114.58 119.77 2kua h GLU 10 Ca -0.05 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2kua h GLU 10 Cb 0.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2kua h GLU 10 CO 0.07 0.03 -0.77 0.00 -0.73 0.00 0.00 179.01 177.62 2kua h ARG 11 N 0.00 0.03 0.12 1.92 -0.00 -1.33 -2.89 114.38 112.22 2kua h ARG 11 Ca -0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2kua h ARG 11 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.32 2kua h ARG 11 CO 0.00 0.78 -0.06 1.15 0.00 0.00 0.00 179.97 181.85 2kua h THR 12 N 0.02 0.91 -0.05 2.04 2.02 -0.84 -2.58 112.91 114.42 2kua h THR 12 Ca -0.01 -1.29 0.04 0.00 0.77 0.00 0.00 66.41 65.92 2kua h THR 12 Cb 1.36 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.29 2kua h THR 12 CO 0.10 0.25 -0.29 -0.09 0.37 0.00 0.00 175.52 175.87 2kua h ARG 13 N -0.88 -0.39 -0.59 6.66 9.65 -1.62 0.13 114.38 127.32 2kua h ARG 13 Ca -0.02 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 2kua h ARG 13 Cb 0.54 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.15 2kua h ARG 13 CO 0.03 -0.26 0.26 0.07 2.80 0.00 0.00 179.97 182.86 2kua h ARG 14 N -0.41 0.46 0.26 0.20 -0.00 -1.64 0.20 114.38 113.45 2kua h ARG 14 Ca 0.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 60.02 2kua h ARG 14 Cb 0.52 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.39 2kua h ARG 14 CO -0.29 0.30 -0.13 1.25 -0.00 0.00 0.00 179.97 181.10 2kua h LEU 15 N 0.47 -0.32 0.25 0.08 5.85 -0.95 0.10 115.31 120.79 2kua h LEU 15 Ca 0.29 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2kua h LEU 15 Cb 0.29 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2kua h LEU 15 CO -0.25 -0.23 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.39 2kua h LEU 16 N -0.37 -0.41 -1.15 2.25 4.07 -0.35 -2.50 115.31 116.85 2kua h LEU 16 Ca -0.03 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.05 2kua h LEU 16 Cb 0.29 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 2kua h LEU 16 CO 0.05 -0.26 0.59 -1.28 -1.08 0.00 0.00 178.44 176.46 2kua h SER 17 N -0.41 0.85 -0.69 -0.43 0.87 -0.55 -0.46 113.55 112.74 2kua h SER 17 Ca -0.02 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2kua h SER 17 Cb 0.34 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2kua h SER 17 CO 0.02 0.50 0.45 -0.78 -0.53 0.00 0.00 176.83 176.49 2kua h ASP 18 N 0.94 0.61 1.31 6.23 3.58 -0.36 0.25 116.42 128.97 2kua h ASP 18 Ca 0.43 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.84 2kua h ASP 18 Cb 0.39 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2kua h ASP 18 CO -0.19 0.39 -0.20 0.22 -2.88 0.00 0.00 179.24 176.58 2kua h TYR 19 N 0.69 0.00 -0.22 0.28 3.20 -0.78 -2.99 116.97 117.14 2kua h TYR 19 Ca 0.30 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.10 2kua h TYR 19 Cb 0.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2kua h TYR 19 CO -0.00 0.20 -0.12 0.82 -1.64 0.00 0.00 178.16 177.42 2kua h ILE 20 N 0.00 1.31 0.00 1.81 1.08 -0.61 -2.39 117.51 118.71 2kua h ILE 20 Ca -0.00 -1.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2kua h ILE 20 Cb 0.91 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2kua h ILE 20 CO 0.03 0.37 -0.00 -0.26 -0.69 0.00 0.00 178.15 177.59 2kua h PHE 21 N 0.18 -0.00 -0.35 1.37 -1.00 -1.51 -2.32 116.94 113.30 2kua h PHE 21 Ca 0.05 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.93 2kua h PHE 21 Cb 0.62 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 2kua h PHE 21 CO 0.07 0.35 0.29 0.35 -1.61 0.00 0.00 178.31 177.75 2kua h PHE 22 N -0.36 0.00 0.00 -0.55 3.04 -1.58 0.42 116.94 117.91 2kua h PHE 22 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2kua h PHE 22 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 2kua h PHE 22 CO 0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 178.31 176.02 2kua n ALA 24 N -1.73 2.88 -3.15 0.00 0.00 0.15 -4.77 120.51 113.89 2kua n ALA 24 Ca 0.05 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 2kua n ALA 24 Cb 0.41 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 2kua n ALA 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kua s ARG 25 N -1.67 2.92 0.28 0.00 0.52 -1.23 -5.01 118.95 114.76 2kua s ARG 25 Ca 0.21 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.30 2kua s ARG 25 Cb 0.15 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 32.07 2kua s ARG 25 CO 0.08 -0.54 0.04 0.39 0.02 0.00 0.00 175.30 175.29 2kua n GLU 26 N 4.87 0.00 0.19 3.54 1.02 -1.26 -4.78 120.64 124.21 2kua n GLU 26 Ca -0.14 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.15 2kua n GLU 26 Cb 0.47 -0.68 0.58 0.00 -0.02 0.00 0.00 31.44 31.79 2kua n GLU 26 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2kua h PRO 27 N 0.18 0.00 0.00 3.49 0.13 -1.97 -2.59 132.00 131.24 2kua h PRO 27 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kua h PRO 27 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2kua h PRO 27 CO 0.31 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.61 2kua n ASP 28 N -2.57 0.00 -3.82 1.44 -0.08 -1.26 -4.74 116.55 105.51 2kua n ASP 28 Ca 0.01 -1.49 -0.12 0.00 -1.51 0.00 0.00 54.79 51.69 2kua n ASP 28 Cb 0.25 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2kua s THR 29 N -2.00 0.01 0.24 5.18 -1.32 -0.98 -5.14 115.64 111.63 2kua s THR 29 Ca 0.20 -0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 2kua s THR 29 Cb 0.09 -0.24 -0.09 0.00 -1.51 0.00 0.00 72.50 70.74 2kua s THR 29 CO 0.15 -0.04 1.27 -2.16 -2.21 0.00 0.00 174.62 171.63 2kua s PRO 30 N -0.07 4.42 0.50 7.08 0.04 -1.26 -4.74 135.00 140.96 2kua s PRO 30 Ca -0.02 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2kua s PRO 30 Cb -0.02 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2kua s PRO 30 CO 0.00 -0.16 0.85 -1.21 0.04 0.00 0.00 177.00 176.52 2kua s GLU 31 N -0.73 3.64 1.02 4.56 0.41 -1.26 -5.07 118.70 121.26 2kua s GLU 31 Ca 0.53 0.44 -0.13 0.00 -0.41 0.00 0.00 54.97 55.40 2kua s GLU 31 Cb -0.36 -2.30 0.20 0.00 -1.78 0.00 0.00 34.13 29.89 2kua s GLU 31 CO 0.42 -0.25 1.09 -1.25 -0.49 0.00 0.00 175.26 174.79 2kua s PRO 32 N -4.58 0.28 1.03 0.39 0.04 -1.26 -5.04 135.00 125.86 2kua s PRO 32 Ca 0.51 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 2kua s PRO 32 Cb -0.10 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.92 2kua s PRO 32 CO 0.43 -2.82 1.09 -1.25 0.04 0.00 0.00 177.00 174.49 2kua s PRO 33 N -4.97 0.21 0.12 0.56 0.04 -1.26 -5.04 135.00 124.65 2kua s PRO 33 Ca 0.66 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 2kua s PRO 33 Cb -0.19 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.67 2kua s PRO 33 CO 0.58 -2.87 0.11 -0.35 0.04 0.00 0.00 177.00 174.51 2kua n PRO 34 N -4.26 -1.24 0.00 0.56 -0.04 -1.26 -5.05 135.00 123.71 2kua n PRO 34 Ca 0.05 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2kua n PRO 34 Cb 0.58 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2kua n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kua n THR 35 N -2.75 0.00 -4.32 0.52 5.66 -1.26 -5.03 114.28 107.10 2kua n THR 35 Ca 0.01 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.82 2kua n THR 35 Cb 0.06 -0.42 -0.08 0.00 -1.55 0.00 0.00 70.33 68.33 2kua n THR 35 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kua s SER 36 N -3.84 1.67 0.16 1.09 0.01 -1.26 -5.01 113.70 106.52 2kua s SER 36 Ca 0.00 -1.68 -0.15 0.00 1.31 0.00 0.00 55.95 55.43 2kua s SER 36 Cb 0.00 0.51 0.08 0.00 0.21 0.00 0.00 66.02 66.81 2kua s SER 36 CO 0.00 -0.99 1.76 0.58 0.41 0.00 0.00 173.24 175.00 2kua h VAL 37 N 2.14 0.93 -0.28 3.43 2.07 -1.99 -0.85 116.25 121.70 2kua h VAL 37 Ca -0.29 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2kua h VAL 37 Cb 1.24 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2kua h VAL 37 CO 0.44 0.06 0.01 1.05 0.02 0.00 0.00 177.57 179.15 2kua h GLU 38 N 0.35 0.42 0.00 1.57 4.11 -1.97 -1.84 114.58 117.22 2kua h GLU 38 Ca 0.18 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.44 2kua h GLU 38 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kua h GLU 38 CO -0.15 0.44 -0.46 0.00 0.07 0.00 0.00 179.01 178.91 2kua h ALA 39 N 1.61 1.02 -0.08 1.06 0.00 -1.68 -3.06 119.26 118.14 2kua h ALA 39 Ca 0.09 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 2kua h ALA 39 Cb 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kua h ALA 39 CO 0.01 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.35 2kua h ALA 40 N 1.54 0.17 0.27 0.00 0.00 -0.37 -2.95 119.26 117.92 2kua h ALA 40 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kua h ALA 40 Cb 0.94 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kua h ALA 40 CO 0.06 0.34 -0.29 1.25 0.00 0.00 0.00 179.25 180.61 2kua h LEU 41 N 0.04 -0.80 -0.52 0.00 7.12 -1.42 -2.54 115.31 117.19 2kua h LEU 41 Ca -0.04 0.07 0.10 0.00 0.13 0.00 0.00 57.88 58.15 2kua h LEU 41 Cb 1.13 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 41.46 2kua h LEU 41 CO 0.10 -0.42 0.05 -0.07 -0.13 0.00 0.00 178.44 177.98 2kua h LEU 42 N -0.60 -0.11 -2.01 2.25 -0.00 -1.64 0.39 115.31 113.59 2kua h LEU 42 Ca -0.01 0.11 0.13 0.00 -0.00 0.00 0.00 57.88 58.11 2kua h LEU 42 Cb 0.56 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 2kua h LEU 42 CO -0.07 -0.03 0.42 -0.09 -0.00 0.00 0.00 178.44 178.67 2kua h ARG 43 N 0.18 0.00 0.07 1.13 1.12 -1.30 3.64 114.38 119.22 2kua h ARG 43 Ca 0.26 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.81 2kua h ARG 43 Cb 0.39 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.32 2kua h ARG 43 CO -0.39 0.00 -1.78 0.43 -3.11 0.00 0.00 179.97 175.12 2kua n SER 44 N -3.93 2.01 -0.10 -3.80 7.64 0.68 -3.94 113.62 112.18 2kua n SER 44 Ca 0.08 0.28 -0.15 0.00 1.01 0.00 0.00 58.87 60.09 2kua n SER 44 Cb 0.61 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 2kua n SER 44 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kua n VAL 45 N -3.86 1.49 -0.26 0.44 0.24 0.10 -4.12 118.33 112.37 2kua n VAL 45 Ca -0.34 0.03 0.26 0.00 -2.04 0.00 0.00 64.34 62.25 2kua n VAL 45 Cb 0.90 -2.18 0.62 0.00 -1.47 0.00 0.00 33.84 31.71 2kua n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kua h THR 46 N -1.00 0.55 -0.23 3.34 1.03 0.67 0.47 112.91 117.74 2kua h THR 46 Ca -0.23 -0.07 -0.06 0.00 -0.01 0.00 0.00 66.41 66.04 2kua h THR 46 Cb 1.03 0.33 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 2kua h THR 46 CO -0.14 0.04 -0.11 0.08 -0.01 0.00 0.00 175.52 175.38 2kua h ARG 47 N 0.21 0.37 0.00 0.00 -0.00 -1.43 -2.50 114.38 111.03 2kua h ARG 47 Ca 0.50 -0.09 -0.19 0.00 -0.00 0.00 0.00 59.98 60.20 2kua h ARG 47 Cb 1.60 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 31.50 2kua h ARG 47 CO -0.13 0.49 -0.91 -0.56 -0.00 0.00 0.00 179.97 178.86 2kua h GLN 48 N 0.35 0.02 -0.34 0.08 -0.00 -0.24 -2.53 115.11 112.45 2kua h GLN 48 Ca 0.07 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.62 2kua h GLN 48 Cb 0.41 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.89 2kua h GLN 48 CO 0.02 0.92 -0.08 0.82 -0.00 0.00 0.00 178.83 180.51 2kua h ILE 49 N 0.01 1.23 0.00 1.86 1.08 -0.96 -2.53 117.51 118.20 2kua h ILE 49 Ca -0.02 -0.99 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 2kua h ILE 49 Cb 1.61 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2kua h ILE 49 CO 0.12 0.33 -0.06 1.56 -0.69 0.00 0.00 178.15 179.42 2kua h GLN 50 N 0.52 0.00 -0.14 2.37 4.20 -1.52 -1.09 115.11 119.46 2kua h GLN 50 Ca 0.10 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.85 2kua h GLN 50 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2kua h GLN 50 CO 0.02 0.00 0.76 -0.56 -0.67 0.00 0.00 178.83 178.39 2kua h GLN 51 N -0.78 0.00 0.02 1.46 3.07 -1.54 5.37 115.11 122.72 2kua h GLN 51 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 58.35 2kua h GLN 51 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.56 2kua h GLN 51 CO 0.00 0.00 -2.32 -0.85 0.09 0.00 0.00 178.83 175.75 2kua n GLU 52 N -2.79 0.65 -0.12 0.06 0.28 -0.95 -4.66 120.64 113.10 2kua n GLU 52 Ca 0.02 0.23 -0.21 0.00 -0.16 0.00 0.00 57.16 57.04 2kua n GLU 52 Cb 0.82 -1.57 -0.10 0.00 1.43 0.00 0.00 31.44 32.02 2kua n GLU 52 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kua n HIS 53 N -3.61 0.00 -0.43 -1.84 8.25 0.11 -4.42 115.22 113.28 2kua n HIS 53 Ca -0.44 0.00 0.33 0.00 -0.26 0.00 0.00 57.72 57.35 2kua n HIS 53 Cb 0.96 -0.93 0.51 0.00 1.12 0.00 0.00 29.99 31.65 2kua n HIS 53 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kua n GLN 54 N -3.56 0.00 -0.27 -0.41 -0.00 1.71 0.11 117.38 114.96 2kua n GLN 54 Ca -0.46 0.71 0.09 0.00 -0.00 0.00 0.00 57.00 57.33 2kua n GLN 54 Cb 0.92 -1.64 0.23 0.00 -0.00 0.00 0.00 30.24 29.75 2kua n GLN 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2kua h GLU 55 N 0.00 0.29 0.12 2.61 5.08 -1.77 0.19 114.58 121.11 2kua h GLU 55 Ca 0.59 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.59 2kua h GLU 55 Cb 2.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.60 2kua h GLU 55 CO -0.01 0.19 -1.80 0.74 -1.00 0.00 0.00 179.01 177.14 2kua h PHE 56 N 0.30 0.45 0.26 4.33 -1.00 0.47 -3.16 116.94 118.59 2kua h PHE 56 Ca 0.47 -0.33 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 2kua h PHE 56 Cb 0.85 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.36 2kua h PHE 56 CO -0.23 1.71 -0.43 0.74 -1.61 0.00 0.00 178.31 178.49 2kua h PHE 57 N -0.11 -1.22 -0.81 -0.55 0.04 -1.29 -1.98 116.94 111.02 2kua h PHE 57 Ca -0.39 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 2kua h PHE 57 Cb 1.92 0.50 -0.04 0.00 2.20 0.00 0.00 35.95 40.53 2kua h PHE 57 CO 0.09 -0.52 0.48 1.03 -0.60 0.00 0.00 178.31 178.79 2kua h SER 58 N -0.73 0.98 -1.00 2.17 0.87 -0.84 -0.48 113.55 114.52 2kua h SER 58 Ca -0.03 -0.06 0.21 0.00 -1.23 0.00 0.00 61.79 60.68 2kua h SER 58 Cb 0.67 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.28 2kua h SER 58 CO -0.15 0.76 0.61 -1.28 -0.53 0.00 0.00 176.83 176.24 2kua h SER 59 N 1.12 0.74 0.15 6.23 0.87 -1.41 -1.85 113.55 119.41 2kua h SER 59 Ca 0.29 0.10 -0.31 0.00 -1.23 0.00 0.00 61.79 60.65 2kua h SER 59 Cb -0.03 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kua h SER 59 CO -0.05 0.23 -1.55 0.15 -0.53 0.00 0.00 176.83 175.07 2kua h PHE 60 N 0.70 0.59 -1.00 2.24 3.04 -0.78 -3.35 116.94 118.37 2kua h PHE 60 Ca 0.59 -0.43 0.38 0.00 3.98 0.00 0.00 57.97 62.49 2kua h PHE 60 Cb 1.01 -0.02 -0.17 0.00 2.56 0.00 0.00 35.95 39.32 2kua h PHE 60 CO -0.00 1.61 0.49 0.00 -2.02 0.00 0.00 178.31 178.39 2kua n GLU 62 N -5.24 1.72 0.02 0.00 0.28 -0.99 -2.93 120.64 113.51 2kua n GLU 62 Ca 0.35 -1.60 -0.00 0.00 -0.16 0.00 0.00 57.16 55.75 2kua n GLU 62 Cb 1.16 -1.63 -0.00 0.00 1.43 0.00 0.00 31.44 32.41 2kua n GLU 62 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kua n SER 63 N -0.15 0.61 -0.00 -1.84 7.64 0.61 -4.87 113.62 115.62 2kua n SER 63 Ca 0.31 0.08 0.05 0.00 1.01 0.00 0.00 58.87 60.32 2kua n SER 63 Cb 0.93 -0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.79 2kua n SER 63 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kua n ARG 64 N -3.06 0.65 -0.80 1.43 3.00 -1.22 -4.98 116.66 111.68 2kua n ARG 64 Ca -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 2kua n ARG 64 Cb 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 30.87 2kua n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kua n GLY 65 N 1.37 0.79 1.17 -0.13 0.00 -1.15 -4.90 105.19 102.34 2kua n GLY 65 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2kua n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kua n ASN 66 N 0.00 3.38 -0.37 1.61 3.02 -1.26 -4.55 115.26 117.09 2kua n ASN 66 Ca 0.00 -2.19 0.30 0.00 -0.03 0.00 0.00 54.58 52.66 2kua n ASN 66 Cb 0.00 -0.60 0.49 0.00 -0.61 0.00 0.00 39.78 39.05 2kua n ASN 66 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kua n ARG 67 N 0.47 -0.02 -0.05 3.52 0.00 -1.26 0.18 116.66 119.50 2kua n ARG 67 Ca 0.05 0.80 -0.12 0.00 -0.00 0.00 0.00 57.85 58.59 2kua n ARG 67 Cb 0.59 -1.66 -0.10 0.00 -0.00 0.00 0.00 32.46 31.29 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2kua h LEU 68 N 0.00 -0.02 -1.37 2.89 5.85 -1.92 -2.88 115.31 117.87 2kua h LEU 68 Ca 0.60 -0.73 0.31 0.00 0.84 0.00 0.00 57.88 58.90 2kua h LEU 68 Cb 2.11 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 43.04 2kua h LEU 68 CO -0.21 0.80 0.71 -0.33 -0.34 0.00 0.00 178.44 179.07 2kua h GLU 69 N -0.93 0.31 -0.02 1.25 3.07 0.15 0.41 114.58 118.82 2kua h GLU 69 Ca -0.00 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.60 2kua h GLU 69 Cb 0.75 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2kua h GLU 69 CO 0.00 0.20 -0.96 -0.07 -1.40 0.00 0.00 179.01 176.79 2kua h LEU 70 N 0.32 0.71 -0.36 1.33 4.07 -1.41 -1.91 115.31 118.05 2kua h LEU 70 Ca 0.65 -0.55 0.05 0.00 0.08 0.00 0.00 57.88 58.11 2kua h LEU 70 Cb 1.76 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 43.23 2kua h LEU 70 CO -0.33 1.35 0.06 1.62 -1.08 0.00 0.00 178.44 180.06 2kua h VAL 71 N 0.32 0.81 -0.09 1.22 3.04 0.04 0.86 116.25 122.45 2kua h VAL 71 Ca -0.09 -0.06 -0.16 0.00 -1.01 0.00 0.00 66.70 65.37 2kua h VAL 71 Cb 1.59 0.61 0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2kua h VAL 71 CO 0.18 0.03 -0.58 0.07 -1.01 0.00 0.00 177.57 176.26 2kua h LYS 72 N 0.18 0.56 -0.39 4.17 -0.00 -1.46 -2.97 116.57 116.66 2kua h LYS 72 Ca 0.17 -0.48 0.07 0.00 -0.00 0.00 0.00 60.65 60.41 2kua h LYS 72 Cb 0.20 0.11 -0.06 0.00 -0.00 0.00 0.00 32.23 32.48 2kua h LYS 72 CO -0.23 1.10 0.05 1.96 -0.00 0.00 0.00 179.45 182.32 2kua h GLN 73 N 0.17 0.16 0.30 0.07 7.50 -1.04 -2.22 115.11 120.04 2kua h GLN 73 Ca -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 2kua h GLN 73 Cb 1.23 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.72 2kua h GLN 73 CO 0.12 0.10 -0.20 0.52 -1.50 0.00 0.00 178.83 177.88 2kua h MET 74 N 0.16 -0.47 -0.20 1.46 2.86 -0.90 -1.39 114.93 116.47 2kua h MET 74 Ca 0.19 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 2kua h MET 74 Cb 0.25 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2kua h MET 74 CO -0.28 -0.31 0.47 0.00 1.06 0.00 0.00 176.91 177.86 2kua h ALA 75 N 0.19 1.75 0.00 6.32 0.00 -1.30 0.67 119.26 126.89 2kua h ALA 75 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 2kua h ALA 75 Cb 0.41 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2kua h ALA 75 CO 0.02 -0.58 -1.23 0.22 0.00 0.00 0.00 179.25 177.69 2kua h ASP 76 N 0.00 0.00 0.04 0.00 3.58 -0.66 -1.16 116.42 118.22 2kua h ASP 76 Ca 0.09 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2kua h ASP 76 Cb 1.04 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.10 2kua h ASP 76 CO -0.00 1.00 -0.25 0.07 -2.88 0.00 0.00 179.24 177.18 2kua h LYS 77 N 0.00 0.10 0.00 0.28 2.10 0.75 -3.41 116.57 116.38 2kua h LYS 77 Ca -0.10 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2kua h LYS 77 Cb 1.85 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 2kua h LYS 77 CO 0.11 1.06 -0.15 1.37 -2.00 0.00 0.00 179.45 179.85 2kua h LEU 78 N -0.79 0.00-10.16 7.07 -0.00 -1.27 -3.47 115.31 106.69 2kua h LEU 78 Ca -0.04 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.34 2kua h LEU 78 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.85 2kua h LEU 78 CO 0.05 0.56 0.11 -0.76 -0.00 0.00 0.00 178.44 178.40 2kua s LEU 79 N -8.33 3.82 0.00 0.17 2.01 -0.44 -4.84 118.68 111.08 2kua s LEU 79 Ca -0.04 1.11 0.00 0.00 0.01 0.00 0.00 54.13 55.21 2kua s LEU 79 Cb 0.01 -3.99 0.00 0.00 0.01 0.00 0.00 46.19 42.21 2kua s LEU 79 CO 0.06 -0.41 0.00 -0.24 1.01 0.00 0.00 176.35 176.78 2kua n SER 80 N -1.35 0.00 -0.03 2.29 2.88 -1.26 -3.81 113.62 112.34 2kua n SER 80 Ca 0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2kua n SER 80 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 2kua n SER 80 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kua n LYS 81 N 0.00 0.16 0.22 -1.46 2.85 -1.26 -4.62 118.16 114.05 2kua n LYS 81 Ca 0.00 0.06 0.14 0.00 -1.05 0.00 0.00 58.31 57.47 2kua n LYS 81 Cb 0.00 -0.77 0.43 0.00 -0.65 0.00 0.00 35.03 34.04 2kua n LYS 81 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2kua h ASP 82 N -0.31 0.00 -3.24 -5.58 2.03 -2.01 -3.45 116.42 103.86 2kua h ASP 82 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 2kua h ASP 82 Cb 0.31 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.86 2kua h ASP 82 CO 0.00 0.00 0.80 -1.10 -1.03 0.00 0.00 179.24 177.91 2kua s GLN 83 N -3.38 4.24 -0.61 4.15 1.11 -1.26 -4.86 119.66 119.04 2kua s GLN 83 Ca 0.05 2.35 -0.06 0.00 0.01 0.00 0.00 55.36 57.71 2kua s GLN 83 Cb 0.08 -3.11 -0.13 0.00 -1.01 0.00 0.00 33.01 28.83 2kua s GLN 83 CO 0.59 -0.49 2.65 -0.40 0.01 0.00 0.00 175.29 177.64 2kua n ASP 84 N 2.70 5.24 -4.63 5.90 5.75 -1.26 -4.71 116.55 125.53 2kua n ASP 84 Ca 0.09 -2.33 -0.59 0.00 -0.01 0.00 0.00 54.79 51.95 2kua n ASP 84 Cb 0.39 -1.18 -0.08 0.00 -1.03 0.00 0.00 41.12 39.23 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2kua n PHE 85 N 3.29 1.50 -2.76 2.11 -1.74 -1.26 -4.95 117.46 113.65 2kua n PHE 85 Ca 0.46 0.82 -0.21 0.00 -0.56 0.00 0.00 57.45 57.95 2kua n PHE 85 Cb 0.43 -2.29 0.07 0.00 1.52 0.00 0.00 39.48 39.21 2kua n PHE 85 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kua s SER 86 N 1.71 4.88 0.57 5.98 0.15 -1.26 -4.98 113.70 120.74 2kua s SER 86 Ca 0.94 -0.42 0.33 0.00 0.70 0.00 0.00 55.95 57.51 2kua s SER 86 Cb -1.18 -0.19 1.68 0.00 -1.71 0.00 0.00 66.02 64.62 2kua s SER 86 CO 0.62 -1.46 2.12 -0.50 1.20 0.00 0.00 173.24 175.22 2kua h TRP 87 N -0.10 0.00 -0.12 3.44 -0.00 -2.00 -2.17 115.95 115.00 2kua h TRP 87 Ca -0.36 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.39 2kua h TRP 87 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.43 2kua h TRP 87 CO 0.15 0.06 -0.52 0.77 -0.00 0.00 0.00 178.44 178.90 2kua h SER 88 N 0.00 0.36 0.38 -3.49 0.02 -2.00 -2.80 113.55 106.01 2kua h SER 88 Ca -0.00 -0.18 -0.21 0.00 -0.84 0.00 0.00 61.79 60.56 2kua h SER 88 Cb 0.30 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2kua h SER 88 CO 0.01 0.82 -0.87 1.56 -1.14 0.00 0.00 176.83 177.20 2kua h GLN 89 N 0.26 0.35 0.50 3.45 1.08 -1.78 -2.59 115.11 116.39 2kua h GLN 89 Ca 0.01 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 2kua h GLN 89 Cb 1.01 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2kua h GLN 89 CO 0.09 1.03 -0.24 -0.07 -0.95 0.00 0.00 178.83 178.69 2kua h LEU 90 N 0.21 -0.57 -1.69 1.46 3.38 -1.43 -2.37 115.31 114.29 2kua h LEU 90 Ca -0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2kua h LEU 90 Cb 1.49 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2kua h LEU 90 CO 0.15 -0.31 -0.05 -0.37 0.09 0.00 0.00 178.44 177.95 2kua h VAL 91 N -0.81 1.10 -0.48 1.22 -1.51 -1.60 -2.52 116.25 111.65 2kua h VAL 91 Ca -0.07 -0.40 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 2kua h VAL 91 Cb 0.58 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 2kua h VAL 91 CO 0.11 0.13 0.27 -0.03 -1.23 0.00 0.00 177.57 176.81 2kua h MET 92 N 0.13 0.67 -0.42 5.19 -1.53 -1.25 -2.63 114.93 115.09 2kua h MET 92 Ca 0.03 -0.08 0.03 0.00 -3.44 0.00 0.00 59.70 56.24 2kua h MET 92 Cb 0.18 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.06 2kua h MET 92 CO 0.01 0.52 0.22 -0.07 0.14 0.00 0.00 176.91 177.73 2kua h LEU 93 N 0.64 0.33 -0.62 3.39 3.38 -0.98 -1.49 115.31 119.96 2kua h LEU 93 Ca 0.17 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2kua h LEU 93 Cb 0.05 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2kua h LEU 93 CO -0.03 0.24 0.27 -0.07 0.09 0.00 0.00 178.44 178.94 2kua h LEU 94 N 0.45 0.32 0.47 1.67 4.07 -1.43 -0.73 115.31 120.13 2kua h LEU 94 Ca 0.18 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.18 2kua h LEU 94 Cb 0.06 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2kua h LEU 94 CO -0.11 0.19 -0.23 0.00 -1.08 0.00 0.00 178.44 177.22 2kua h ALA 95 N 1.40 -0.63 0.07 1.53 0.00 -1.08 -2.95 119.26 117.60 2kua h ALA 95 Ca 0.31 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2kua h ALA 95 Cb 0.34 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2kua h ALA 95 CO -0.27 -0.80 -0.50 0.35 0.00 0.00 0.00 179.25 178.03 2kua h PHE 96 N -0.74 -1.47 -0.94 0.00 3.57 -0.96 -1.09 116.94 115.31 2kua h PHE 96 Ca -0.06 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.68 2kua h PHE 96 Cb 0.54 0.63 -0.18 0.00 2.79 0.00 0.00 35.95 39.73 2kua h PHE 96 CO -0.02 -0.56 -0.19 0.00 -2.23 0.00 0.00 178.31 175.31 2kua n ALA 97 N -2.92 0.27 0.21 2.41 0.00 -0.31 0.23 120.51 120.40 2kua n ALA 97 Ca -0.08 1.03 0.06 0.00 0.00 0.00 0.00 53.44 54.46 2kua n ALA 97 Cb 0.38 -0.64 0.46 0.00 0.00 0.00 0.00 19.45 19.66 2kua n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kua h GLY 98 N 0.00 0.00 2.00 0.00 0.00 -1.17 -2.37 103.07 101.53 2kua h GLY 98 Ca 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 2kua h GLY 98 CO -0.95 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 175.13 2kua h THR 99 N 0.00 1.03 0.04 4.70 1.03 0.41 -3.13 112.91 117.00 2kua h THR 99 Ca -0.00 -1.76 -0.26 0.00 -0.01 0.00 0.00 66.41 64.38 2kua h THR 99 Cb 0.62 2.04 -0.03 0.00 -1.07 0.00 0.00 68.15 69.71 2kua h THR 99 CO 0.04 0.45 -1.34 -0.07 -0.01 0.00 0.00 175.52 174.58 2kua h LEU 100 N 0.00 0.15 -4.49 0.00 3.38 -0.77 -3.41 115.31 110.16 2kua h LEU 100 Ca -0.00 -0.20 -0.38 0.00 0.09 0.00 0.00 57.88 57.39 2kua h LEU 100 Cb 1.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2kua h LEU 100 CO 0.06 1.16 0.83 0.80 0.09 0.00 0.00 178.44 181.38 2kua n MET 101 N -3.32 0.00 -3.23 1.13 1.56 -0.93 -4.82 117.12 107.51 2kua n MET 101 Ca -0.10 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 56.95 2kua n MET 101 Cb 1.00 -0.84 -0.06 0.00 2.15 0.00 0.00 33.22 35.47 2kua n MET 101 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2kua s ASN 102 N 3.99 7.01 -0.06 6.12 2.47 -1.26 -4.88 114.94 128.33 2kua s ASN 102 Ca 0.71 1.20 -0.02 0.00 0.42 0.00 0.00 52.86 55.16 2kua s ASN 102 Cb -0.79 -2.36 0.04 0.00 -1.45 0.00 0.00 41.25 36.68 2kua s ASN 102 CO 0.34 0.17 0.12 -1.10 -3.72 0.00 0.00 177.10 172.91 2kua s GLN 103 N -0.53 0.04 -0.33 0.43 -1.52 -1.26 -4.43 119.66 112.06 2kua s GLN 103 Ca 0.30 0.39 0.16 0.00 -1.95 0.00 0.00 55.36 54.26 2kua s GLN 103 Cb -0.19 -0.24 0.44 0.00 -0.22 0.00 0.00 33.01 32.81 2kua s GLN 103 CO 0.18 -0.21 1.19 0.41 -0.25 0.00 0.00 175.29 176.60 2kua n GLY 104 N 4.54 1.59 0.00 3.09 0.00 -1.26 -5.13 105.19 108.02 2kua n GLY 104 Ca -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2kua n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kua n PRO 105 N -0.54 0.66 -0.10 1.61 -0.04 -1.26 -4.93 135.00 130.40 2kua n PRO 105 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2kua n PRO 105 Cb 0.83 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 34.61 2kua n PRO 105 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2kua n TYR 106 N -0.84 0.27 -1.19 0.54 9.36 -1.26 -4.92 117.16 119.11 2kua n TYR 106 Ca 0.00 -0.13 -0.19 0.00 3.32 0.00 0.00 57.90 60.90 2kua n TYR 106 Cb 0.00 0.00 -0.18 0.00 -0.63 0.00 0.00 39.34 38.53 2kua n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kua n MET 107 N 0.72 0.00 0.00 2.98 0.00 -1.26 -4.80 117.12 114.76 2kua n MET 107 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.87 2kua n MET 107 Cb 0.43 -0.84 0.00 0.00 0.00 0.00 0.00 33.22 32.81 2kua n MET 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua n ALA 108 N 4.79 0.00 -1.00 3.17 0.00 -1.26 -5.10 120.51 121.11 2kua n ALA 108 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2kua n ALA 108 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2kua n ALA 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kua n VAL 109 N 0.00 0.00 -2.00 0.00 3.14 -1.26 -4.47 118.33 113.74 2kua n VAL 109 Ca 0.00 0.44 -0.31 0.00 -2.96 0.00 0.00 64.34 61.51 2kua n VAL 109 Cb 0.00 -1.06 -0.04 0.00 -1.06 0.00 0.00 33.84 31.68 2kua n VAL 109 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2kua s LYS 110 N -0.27 2.51 0.07 1.45 1.02 -1.26 -4.88 119.74 118.38 2kua s LYS 110 Ca 0.00 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.18 2kua s LYS 110 Cb 0.00 -4.77 -0.01 0.00 -0.52 0.00 0.00 37.83 32.54 2kua s LYS 110 CO 0.00 -3.19 0.06 1.04 -0.92 0.00 0.00 175.35 172.34 2kua n GLN 111 N 8.99 0.18 -3.83 1.68 1.13 -1.26 -5.15 117.38 119.12 2kua n GLN 111 Ca 0.33 -0.73 -0.06 0.00 -1.94 0.00 0.00 57.00 54.60 2kua n GLN 111 Cb 0.49 0.57 0.01 0.00 0.11 0.00 0.00 30.24 31.42 2kua n GLN 111 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2kua s LYS 112 N -2.30 1.68 -0.93 -1.09 -2.85 -1.26 -5.06 119.74 107.93 2kua s LYS 112 Ca 0.08 -1.02 -0.02 0.00 -1.00 0.00 0.00 55.97 54.00 2kua s LYS 112 Cb 0.00 0.51 0.27 0.00 -2.06 0.00 0.00 37.83 36.54 2kua s LYS 112 CO 0.06 -0.78 2.11 2.89 0.10 0.00 0.00 175.35 179.73 2kua n ARG 113 N -0.55 4.01 -0.11 1.78 0.00 -1.26 -4.56 116.66 115.98 2kua n ARG 113 Ca -0.06 -3.79 -0.18 0.00 -0.00 0.00 0.00 57.85 53.83 2kua n ARG 113 Cb 0.60 -2.38 -0.06 0.00 -0.00 0.00 0.00 32.46 30.61 2kua n ARG 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kua n ASP 114 N 0.17 1.92 0.14 2.89 2.03 -1.26 -4.45 116.55 117.99 2kua n ASP 114 Ca 0.52 0.39 0.13 0.00 0.52 0.00 0.00 54.79 56.35 2kua n ASP 114 Cb 0.29 -0.82 0.39 0.00 -0.72 0.00 0.00 41.12 40.25 2kua n ASP 114 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kua h LEU 115 N -1.00 0.00 -2.99 -2.67 8.10 -2.05 -3.49 115.31 111.21 2kua h LEU 115 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.69 2kua h LEU 115 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.40 2kua h LEU 115 CO -0.18 0.00 -0.83 0.61 -4.11 0.00 0.00 178.44 173.92 2kua n GLY 116 N 0.99 -1.22 2.47 0.17 0.00 -1.26 -4.49 105.19 101.85 2kua n GLY 116 Ca 0.04 0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.84 2kua n GLY 116 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kua n ASN 117 N 1.48 0.63 -0.33 1.61 5.15 -1.26 -4.70 115.26 117.84 2kua n ASN 117 Ca -0.03 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 2kua n ASN 117 Cb 0.31 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 2kua n ASN 117 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kua n ARG 118 N 4.90 0.00 0.00 1.20 1.74 -1.26 -4.83 116.66 118.41 2kua n ARG 118 Ca 0.36 -0.20 -0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2kua n ARG 118 Cb -0.03 -0.12 -0.00 0.00 -1.02 0.00 0.00 32.46 31.29 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2kua h VAL 119 N 4.65 0.00 0.04 1.55 2.07 -1.93 -3.23 116.25 119.39 2kua h VAL 119 Ca 0.00 -0.07 -0.28 0.00 0.82 0.00 0.00 66.70 67.16 2kua h VAL 119 Cb 1.06 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2kua h VAL 119 CO 0.00 0.00 -1.53 0.16 0.02 0.00 0.00 177.57 176.22 2kua h ILE 120 N -0.09 1.10 -0.59 4.57 -2.65 -1.94 -3.30 117.51 114.61 2kua h ILE 120 Ca -0.00 -2.86 -0.02 0.00 1.03 0.00 0.00 64.86 63.02 2kua h ILE 120 Cb 0.01 2.61 -0.03 0.00 -2.05 0.00 0.00 36.82 37.37 2kua h ILE 120 CO 0.00 0.72 0.30 1.62 0.03 0.00 0.00 178.15 180.82 2kua h VAL 121 N 0.02 1.20 -0.44 0.16 3.04 -1.79 0.52 116.25 118.97 2kua h VAL 121 Ca -0.23 -0.55 -0.01 0.00 -1.01 0.00 0.00 66.70 64.91 2kua h VAL 121 Cb 1.96 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.71 2kua h VAL 121 CO 0.11 0.23 0.23 0.00 -1.01 0.00 0.00 177.57 177.13 2kua h THR 122 N 0.80 1.16 -0.14 3.17 1.03 -1.70 0.61 112.91 117.85 2kua h THR 122 Ca 0.20 -0.43 -0.21 0.00 -0.01 0.00 0.00 66.41 65.97 2kua h THR 122 Cb 0.09 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 2kua h THR 122 CO -0.03 0.17 -0.75 0.08 -0.01 0.00 0.00 175.52 174.98 2kua h ARG 123 N 0.57 0.67 -0.14 0.00 0.11 -1.59 -1.99 114.38 112.02 2kua h ARG 123 Ca 0.15 -0.54 -0.15 0.00 0.10 0.00 0.00 59.98 59.55 2kua h ARG 123 Cb 0.07 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 2kua h ARG 123 CO -0.02 1.16 -0.53 -0.44 0.10 0.00 0.00 179.97 180.23 2kua h ASP 124 N 0.46 0.44 -0.08 0.08 3.32 0.23 -2.84 116.42 118.03 2kua h ASP 124 Ca -0.04 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 2kua h ASP 124 Cb 1.36 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2kua h ASP 124 CO 0.15 0.90 -0.17 0.00 -1.72 0.00 0.00 179.24 178.39 2kua h LEU 127 N 0.84 -0.10 -0.44 0.00 3.38 -1.49 0.67 115.31 118.18 2kua h LEU 127 Ca 0.39 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2kua h LEU 127 Cb 0.38 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2kua h LEU 127 CO -0.16 0.56 0.10 -0.29 0.09 0.00 0.00 178.44 178.74 2kua h ILE 128 N -0.91 0.78 -0.03 1.22 2.10 -0.92 -1.81 117.51 117.94 2kua h ILE 128 Ca -0.01 -0.08 -0.17 0.00 1.08 0.00 0.00 64.86 65.68 2kua h ILE 128 Cb 0.56 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.80 2kua h ILE 128 CO 0.02 0.04 -0.73 1.62 -1.08 0.00 0.00 178.15 178.02 2kua h VAL 129 N 0.24 1.46 -0.87 2.19 3.04 -0.60 -3.03 116.25 118.67 2kua h VAL 129 Ca 0.21 -2.33 0.13 0.00 -1.01 0.00 0.00 66.70 63.71 2kua h VAL 129 Cb 0.26 2.25 -0.09 0.00 -2.01 0.00 0.00 31.29 31.71 2kua h VAL 129 CO -0.27 0.68 0.48 -1.13 -1.01 0.00 0.00 177.57 176.32 2kua h ASN 130 N 0.11 0.63 0.18 3.17 -1.24 -0.00 0.61 115.58 119.04 2kua h ASN 130 Ca -0.02 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2kua h ASN 130 Cb 1.30 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2kua h ASN 130 CO 0.11 0.30 -0.09 0.15 -1.29 0.00 0.00 177.43 176.62 2kua h PHE 131 N 0.72 -0.22 0.08 0.67 3.04 -1.46 -2.90 116.94 116.87 2kua h PHE 131 Ca 0.46 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.42 2kua h PHE 131 Cb 0.57 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.11 2kua h PHE 131 CO -0.07 0.15 -0.30 -0.07 -2.02 0.00 0.00 178.31 176.01 2kua h LEU 132 N -0.94 -0.87 -0.51 0.59 4.07 -1.38 0.16 115.31 116.43 2kua h LEU 132 Ca -0.02 0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.14 2kua h LEU 132 Cb 0.47 0.34 -0.10 0.00 1.08 0.00 0.00 40.66 42.45 2kua h LEU 132 CO 0.04 -0.38 -0.19 0.22 -1.08 0.00 0.00 178.44 177.05 2kua h TYR 133 N -0.49 -0.45 0.00 1.13 5.03 0.08 0.30 116.97 122.57 2kua h TYR 133 Ca 0.04 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 2kua h TYR 133 Cb 0.54 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 2kua h TYR 133 CO -0.29 -0.28 -0.21 -0.91 -1.32 0.00 0.00 178.16 175.16 2kua h ASN 134 N -0.07 0.00 0.14 -2.11 2.35 -1.23 0.46 115.58 115.12 2kua h ASN 134 Ca 0.24 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2kua h ASN 134 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 2kua h ASN 134 CO -0.56 0.21 -0.19 0.25 -1.65 0.00 0.00 177.43 175.49 2kua h LEU 135 N 0.00 -0.51 0.00 1.61 7.12 0.25 -2.57 115.31 121.22 2kua h LEU 135 Ca -0.00 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 57.95 2kua h LEU 135 Cb 0.42 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 2kua h LEU 135 CO 0.03 -0.27 -1.17 0.17 -0.13 0.00 0.00 178.44 177.06 2kua h LEU 136 N -0.38 0.00 -1.57 2.25 -0.00 -1.34 -3.32 115.31 110.95 2kua h LEU 136 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 2kua h LEU 136 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2kua h LEU 136 CO -0.08 0.40 0.02 0.23 -0.00 0.00 0.00 178.44 179.02 2kua n MET 137 N -2.88 1.34 -2.66 0.17 2.81 0.16 -0.32 117.12 115.74 2kua n MET 137 Ca -0.06 -0.34 -0.26 0.00 -1.81 0.00 0.00 57.70 55.23 2kua n MET 137 Cb 0.74 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.82 2kua n MET 137 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2kua s GLY 138 N 0.18 1.53 0.14 3.03 0.00 -0.98 -4.76 107.32 106.45 2kua s GLY 138 Ca 0.06 -0.67 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 2kua s GLY 138 CO 0.02 -0.47 1.64 3.21 0.00 0.00 0.00 173.10 177.49 2kua h ARG 139 N 0.16 -0.28 0.03 2.90 3.08 -1.90 0.67 114.38 119.03 2kua h ARG 139 Ca -0.47 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 2kua h ARG 139 Cb 1.23 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.35 2kua h ARG 139 CO 0.61 -0.19 -0.37 0.07 -1.07 0.00 0.00 179.97 179.02 2kua h ARG 140 N -0.29 0.19 0.53 0.04 0.11 -1.94 -2.78 114.38 110.23 2kua h ARG 140 Ca 0.10 -0.25 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 2kua h ARG 140 Cb 0.44 0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.59 2kua h ARG 140 CO -0.29 1.03 -0.45 0.45 0.10 0.00 0.00 179.97 180.81 2kua h HIS 141 N -0.52 -1.24 -0.49 4.08 3.86 -1.79 -1.80 115.15 117.25 2kua h HIS 141 Ca -0.06 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.25 2kua h HIS 141 Cb 1.19 0.47 -0.07 0.00 1.06 0.00 0.00 27.41 30.05 2kua h HIS 141 CO 0.20 -0.62 0.06 -0.09 0.86 0.00 0.00 177.93 178.34 2kua h ARG 142 N -0.96 0.18 -0.90 2.45 1.12 0.34 0.26 114.38 116.87 2kua h ARG 142 Ca -0.07 -0.01 0.19 0.00 -1.11 0.00 0.00 59.98 58.98 2kua h ARG 142 Cb 0.81 -0.04 -0.11 0.00 -0.01 0.00 0.00 29.97 30.62 2kua h ARG 142 CO -0.01 0.12 0.45 0.00 -3.11 0.00 0.00 179.97 177.41 2kua h ALA 143 N 1.40 1.43 0.01 2.80 0.00 -1.28 -1.50 119.26 122.14 2kua h ALA 143 Ca 0.25 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2kua h ALA 143 Cb 0.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kua h ALA 143 CO -0.36 -0.21 -0.20 0.00 0.00 0.00 0.00 179.25 178.48 2kua h ARG 144 N 0.53 0.11 -0.93 0.00 2.47 -0.30 -1.88 114.38 114.39 2kua h ARG 144 Ca 0.53 -0.14 0.27 0.00 -1.26 0.00 0.00 59.98 59.39 2kua h ARG 144 Cb 0.91 0.04 -0.15 0.00 -1.65 0.00 0.00 29.97 29.12 2kua h ARG 144 CO -0.45 0.95 0.28 1.25 0.56 0.00 0.00 179.97 182.55 2kua h LEU 145 N -0.66 0.02 0.22 3.04 7.12 0.17 0.15 115.31 125.37 2kua h LEU 145 Ca -0.03 0.22 -0.33 0.00 0.13 0.00 0.00 57.88 57.87 2kua h LEU 145 Cb 1.03 0.29 0.03 0.00 -0.53 0.00 0.00 40.66 41.47 2kua h LEU 145 CO 0.04 -0.21 -1.50 1.05 -0.13 0.00 0.00 178.44 177.69 2kua h GLU 146 N 0.17 0.46 0.00 1.25 4.11 -1.39 -1.19 114.58 118.00 2kua h GLU 146 Ca 0.61 -0.79 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2kua h GLU 146 Cb 1.32 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2kua h GLU 146 CO -0.70 1.37 0.22 0.00 0.07 0.00 0.00 179.01 179.97 2kua n ALA 147 N -2.71 0.72 -1.20 1.06 0.00 0.45 0.65 120.51 119.47 2kua n ALA 147 Ca -0.17 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kua n ALA 147 Cb 1.09 -0.90 0.24 0.00 0.00 0.00 0.00 19.45 19.87 2kua n ALA 147 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kua n LEU 148 N -2.06 4.43 0.00 0.00 -0.00 -0.68 -4.88 117.00 113.81 2kua n LEU 148 Ca -0.01 -3.39 0.00 0.00 -0.00 0.00 0.00 56.01 52.61 2kua n LEU 148 Cb 0.25 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 2kua n LEU 148 CO 0.06 0.95 0.00 0.61 -0.00 0.00 0.00 177.39 179.02 2kua n GLY 149 N -0.77 0.56 3.98 1.47 0.00 0.21 -4.54 105.19 106.10 2kua n GLY 149 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.37 2kua n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kua n GLY 150 N -2.00 -0.62 0.57 -0.02 0.00 -0.45 0.27 105.19 102.94 2kua n GLY 150 Ca 0.00 -0.48 0.38 0.00 0.00 0.00 0.00 46.02 45.93 2kua n GLY 150 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kua n TRP 151 N -1.52 0.00 -0.05 1.61 7.02 -1.26 0.18 117.44 123.42 2kua n TRP 151 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.37 2kua n TRP 151 Cb 0.14 -0.35 -0.06 0.00 -2.42 0.00 0.00 31.31 28.62 2kua n TRP 151 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2kua h ASP 152 N 0.00 0.28 0.34 -0.99 3.32 -1.83 -2.73 116.42 114.80 2kua h ASP 152 Ca 0.67 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 2kua h ASP 152 Cb 3.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 42.57 2kua h ASP 152 CO -0.01 0.52 -0.20 1.23 -1.72 0.00 0.00 179.24 179.07 2kua h GLY 153 N 0.03 0.00 0.63 2.75 0.00 0.64 -2.89 103.07 104.23 2kua h GLY 153 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2kua h GLY 153 CO 0.01 0.00 -0.24 -2.75 0.00 0.00 0.00 176.54 173.56 2kua h PHE 154 N 0.00 -0.63 -0.99 5.60 3.57 -1.31 0.29 116.94 123.47 2kua h PHE 154 Ca -0.00 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.67 2kua h PHE 154 Cb 0.42 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.27 2kua h PHE 154 CO 0.00 -0.31 0.61 0.00 -2.23 0.00 0.00 178.31 176.38 2kua h ARG 156 N 0.70 0.00 -0.24 0.00 1.12 -1.48 -1.48 114.38 113.00 2kua h ARG 156 Ca 0.55 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 59.32 2kua h ARG 156 Cb 0.94 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.90 2kua h ARG 156 CO -0.33 0.66 -0.25 0.35 -3.11 0.00 0.00 179.97 177.30 2kua h PHE 157 N 0.00 0.71 -0.52 2.20 3.57 0.28 -3.08 116.94 120.09 2kua h PHE 157 Ca -0.01 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2kua h PHE 157 Cb 1.48 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2kua h PHE 157 CO 0.00 0.92 0.00 1.19 -2.23 0.00 0.00 178.31 178.19 2kua n PHE 158 N -4.36 0.69 -2.85 0.41 3.01 -0.11 -5.00 117.46 109.25 2kua n PHE 158 Ca -0.05 -0.34 -0.29 0.00 1.01 0.00 0.00 57.45 57.78 2kua n PHE 158 Cb 0.44 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.94 2kua n PHE 158 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2kua n LYS 159 N 1.29 -1.41 -0.77 -1.08 4.76 -0.59 -4.83 118.16 115.54 2kua n LYS 159 Ca 0.20 1.04 -0.34 0.00 -2.87 0.00 0.00 58.31 56.34 2kua n LYS 159 Cb 0.53 -1.46 0.13 0.00 -1.84 0.00 0.00 35.03 32.40 2kua n LYS 159 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2kua n ASN 160 N 0.14 -2.66 -0.08 4.39 6.94 -1.01 -4.91 115.26 118.07 2kua n ASN 160 Ca -0.07 -0.03 -0.13 0.00 -0.02 0.00 0.00 54.58 54.34 2kua n ASN 160 Cb 0.51 -0.88 -0.05 0.00 -2.36 0.00 0.00 39.78 36.99 2kua n ASN 160 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2kua h PRO 161 N -1.73 0.55 -4.68 -0.53 0.13 -1.91 -3.41 132.00 120.42 2kua h PRO 161 Ca -0.49 -0.29 -0.70 0.00 -0.87 0.00 0.00 66.00 63.66 2kua h PRO 161 Cb 1.36 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.21 2kua h PRO 161 CO 0.33 0.88 -0.61 -0.51 -0.23 0.00 0.00 178.00 177.86 2kua s LEU 162 N -9.03 4.32 -0.02 1.56 2.01 -1.26 -4.99 118.68 111.27 2kua s LEU 162 Ca -0.13 -1.13 -0.26 0.00 0.01 0.00 0.00 54.13 52.62 2kua s LEU 162 Cb 0.07 -1.87 -0.20 0.00 0.01 0.00 0.00 46.19 44.20 2kua s LEU 162 CO 0.80 -0.33 1.24 1.55 1.01 0.00 0.00 176.35 180.62 2kua h PRO 163 N 8.22 -0.04 -6.30 1.29 0.13 -1.98 -3.46 132.00 129.87 2kua h PRO 163 Ca -0.23 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.45 2kua h PRO 163 Cb 1.08 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kua h PRO 163 CO 0.60 0.43 -0.36 -0.51 -0.23 0.00 0.00 178.00 177.93 2kua s LEU 164 N -9.23 3.87 0.00 1.56 1.02 -1.26 -5.13 118.68 109.51 2kua s LEU 164 Ca -0.16 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 53.72 2kua s LEU 164 Cb 0.02 -2.62 0.00 0.00 0.02 0.00 0.00 46.19 43.60 2kua s LEU 164 CO 0.65 -0.43 0.00 0.61 0.02 0.00 0.00 176.35 177.20