#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kua h PRO -4 N 0.00 0.16 -4.48 1.61 0.13 -1.97 -3.41 132.00 124.04 2kua h PRO -4 Ca 0.00 -0.08 -0.71 0.00 -0.87 0.00 0.00 66.00 64.33 2kua h PRO -4 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.86 2kua h PRO -4 CO 0.00 0.60 -0.48 -1.17 -0.23 0.00 0.00 178.00 176.72 2kua s LEU -3 N -8.07 5.04 0.00 1.56 2.96 -1.26 -4.97 118.68 113.94 2kua s LEU -3 Ca -0.04 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.45 2kua s LEU -3 Cb 0.13 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2kua s LEU -3 CO 0.77 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.90 2kua n GLY -2 N 4.91 0.91 2.40 7.98 0.00 -1.26 -3.08 105.19 117.06 2kua n GLY -2 Ca -0.10 0.57 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 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 8.72 0.92 -0.09 1.61 2.88 -1.26 -4.94 113.62 121.46 2kua n SER 0 Ca 0.00 -2.77 -0.16 0.00 -1.33 0.00 0.00 58.87 54.61 2kua n SER 0 Cb 0.00 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 62.75 2kua n SER 0 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2kua n MET 1 N 1.91 0.52 -4.19 -1.46 0.00 -1.18 -4.99 117.12 107.74 2kua n MET 1 Ca 0.25 0.53 -0.19 0.00 0.00 0.00 0.00 57.70 58.29 2kua n MET 1 Cb 0.47 -1.70 -0.12 0.00 0.00 0.00 0.00 33.22 31.86 2kua n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua s ALA 2 N -2.52 1.29 0.00 -5.12 0.00 -1.26 -4.89 121.76 109.25 2kua s ALA 2 Ca -0.24 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2kua s ALA 2 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2kua s ALA 2 CO 0.44 0.20 0.18 -0.25 0.00 0.00 0.00 175.76 176.33 2kua n ASP 3 N 1.24 0.35 -0.14 0.00 8.00 -1.26 -2.02 116.55 122.73 2kua n ASP 3 Ca -0.21 -0.66 0.12 0.00 0.71 0.00 0.00 54.79 54.75 2kua n ASP 3 Cb 0.54 0.52 0.23 0.00 -0.02 0.00 0.00 41.12 42.38 2kua n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kua n SER 4 N -0.52 0.89 -0.03 -2.24 7.64 -1.26 -3.89 113.62 114.22 2kua n SER 4 Ca 0.00 -0.69 0.03 0.00 1.01 0.00 0.00 58.87 59.22 2kua n SER 4 Cb 0.01 0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.58 2kua n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kua n GLN 5 N -1.05 2.39 -4.43 1.43 10.64 -1.26 -5.03 117.38 120.07 2kua n GLN 5 Ca 0.08 -1.82 -0.32 0.00 -1.83 0.00 0.00 57.00 53.11 2kua n GLN 5 Cb 0.35 -1.14 -0.10 0.00 -0.86 0.00 0.00 30.24 28.49 2kua n GLN 5 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2kua s ASP 6 N -1.57 4.67 0.38 2.61 -1.08 -1.25 -4.58 116.67 115.85 2kua s ASP 6 Ca 0.10 -0.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 2kua s ASP 6 Cb 0.09 -1.10 0.00 0.00 -1.46 0.00 0.00 42.92 40.45 2kua s ASP 6 CO 0.01 0.28 0.00 -0.81 0.52 0.00 0.00 175.17 175.17 2kua n PRO 7 N 1.50 0.24 0.01 4.34 -0.04 -1.26 -4.99 135.00 134.80 2kua n PRO 7 Ca -0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 2kua n PRO 7 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 2kua n PRO 7 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kua n LEU 8 N 0.00 0.65 0.00 1.53 0.00 -1.26 -4.03 117.00 113.88 2kua n LEU 8 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.29 2kua n LEU 8 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.55 2kua n LEU 8 CO 0.00 0.19 0.47 1.41 0.00 0.00 0.00 177.39 179.46 2kua n HIS 9 N -2.81 0.00 0.13 1.96 8.25 -1.26 -1.60 115.22 119.89 2kua n HIS 9 Ca -0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.41 2kua n HIS 9 Cb 0.87 -0.44 0.40 0.00 1.12 0.00 0.00 29.99 31.94 2kua n HIS 9 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2kua n GLU 10 N -2.07 0.10 0.01 -0.41 1.02 -1.26 -0.86 120.64 117.17 2kua n GLU 10 Ca 0.00 0.57 -0.18 0.00 -0.02 0.00 0.00 57.16 57.53 2kua n GLU 10 Cb 0.00 -1.93 -0.08 0.00 -0.02 0.00 0.00 31.44 29.41 2kua n GLU 10 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2kua h ARG 11 N 0.00 0.72 -0.04 3.49 2.43 -1.44 -2.60 114.38 116.95 2kua h ARG 11 Ca 0.00 -0.67 -0.04 0.00 -0.81 0.00 0.00 59.98 58.46 2kua h ARG 11 Cb 0.24 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2kua h ARG 11 CO 0.00 1.26 -0.13 1.15 -1.51 0.00 0.00 179.97 180.74 2kua h THR 12 N 0.46 1.47 0.42 0.20 2.02 -0.13 -2.35 112.91 115.01 2kua h THR 12 Ca -0.08 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 2kua h THR 12 Cb 1.53 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 70.33 2kua h THR 12 CO 0.18 0.43 -0.37 -0.09 0.37 0.00 0.00 175.52 176.03 2kua h ARG 13 N -0.41 -0.78 -0.68 6.66 9.65 -1.62 0.16 114.38 127.36 2kua h ARG 13 Ca -0.01 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.01 2kua h ARG 13 Cb 0.77 0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 29.46 2kua h ARG 13 CO 0.03 -0.52 0.33 0.07 2.80 0.00 0.00 179.97 182.68 2kua h ARG 14 N -0.81 0.56 0.21 0.20 -0.00 -1.58 0.13 114.38 113.10 2kua h ARG 14 Ca -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2kua h ARG 14 Cb 0.71 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 2kua h ARG 14 CO -0.04 0.37 -0.10 1.25 -0.00 0.00 0.00 179.97 181.46 2kua h LEU 15 N 0.58 -0.24 0.03 0.08 5.85 -1.08 0.93 115.31 121.46 2kua h LEU 15 Ca 0.33 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2kua h LEU 15 Cb 0.32 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kua h LEU 15 CO -0.25 -0.15 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.57 2kua h LEU 16 N -0.31 -0.17 -1.36 2.25 4.07 -0.23 -2.30 115.31 117.26 2kua h LEU 16 Ca -0.03 0.02 0.04 0.00 0.08 0.00 0.00 57.88 57.99 2kua h LEU 16 Cb 0.24 0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 2kua h LEU 16 CO 0.05 -0.09 0.46 0.28 -1.08 0.00 0.00 178.44 178.06 2kua h SER 17 N -0.12 0.72 -0.12 -0.43 0.02 -0.68 -2.47 113.55 110.47 2kua h SER 17 Ca 0.02 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2kua h SER 17 Cb 0.14 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2kua h SER 17 CO -0.04 0.49 -0.07 -2.24 -1.14 0.00 0.00 176.83 173.83 2kua h ASP 18 N 0.83 -0.23 -0.83 3.07 3.04 -0.26 -2.22 116.42 119.83 2kua h ASP 18 Ca 0.28 0.05 0.11 0.00 -3.24 0.00 0.00 57.03 54.24 2kua h ASP 18 Cb 0.08 0.12 -0.08 0.00 -1.04 0.00 0.00 39.33 38.42 2kua h ASP 18 CO -0.08 -0.10 0.46 0.22 -2.04 0.00 0.00 179.24 177.70 2kua h TYR 19 N -0.07 0.82 -0.78 4.15 3.20 -1.10 -1.22 116.97 121.97 2kua h TYR 19 Ca 0.07 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.09 2kua h TYR 19 Cb 0.17 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.12 2kua h TYR 19 CO -0.20 0.29 0.40 0.82 -1.64 0.00 0.00 178.16 177.84 2kua h ILE 20 N 0.73 0.80 -0.95 1.81 1.08 -1.26 -0.84 117.51 118.89 2kua h ILE 20 Ca 0.41 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.67 2kua h ILE 20 Cb 0.45 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 2kua h ILE 20 CO -0.28 0.12 0.61 -0.26 -0.69 0.00 0.00 178.15 177.64 2kua h PHE 21 N 0.63 1.22 0.42 1.37 -1.00 -0.99 -2.64 116.94 115.96 2kua h PHE 21 Ca 0.40 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.19 2kua h PHE 21 Cb 0.48 -0.41 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 2kua h PHE 21 CO -0.10 0.78 -0.40 0.74 -1.61 0.00 0.00 178.31 177.72 2kua h PHE 22 N 1.30 -1.10 0.00 -0.55 0.04 -0.93 0.07 116.94 115.76 2kua h PHE 22 Ca 0.34 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2kua h PHE 22 Cb -0.11 0.43 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2kua h PHE 22 CO -0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 178.31 177.15 2kua n ALA 24 N -1.37 3.61 -2.14 0.00 0.00 -0.06 -4.88 120.51 115.67 2kua n ALA 24 Ca 0.01 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 2kua n ALA 24 Cb 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.20 3.53 0.82 0.00 0.52 0.43 -4.95 118.95 116.10 2kua s ARG 25 Ca 0.03 1.34 -0.17 0.00 -0.52 0.00 0.00 55.73 56.41 2kua s ARG 25 Cb 0.15 -4.10 -0.13 0.00 0.52 0.00 0.00 34.95 31.38 2kua s ARG 25 CO 0.83 -1.62 -0.45 0.39 0.02 0.00 0.00 175.30 174.47 2kua n GLU 26 N 8.12 0.01 0.25 3.54 -0.58 -1.26 -4.82 120.64 125.89 2kua n GLU 26 Ca 0.20 0.01 0.14 0.00 -0.42 0.00 0.00 57.16 57.08 2kua n GLU 26 Cb 0.47 -1.09 0.61 0.00 -0.57 0.00 0.00 31.44 30.86 2kua n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2kua h PRO 27 N -0.67 0.00 0.00 3.49 0.13 -1.98 -2.54 132.00 130.43 2kua h PRO 27 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kua h PRO 27 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2kua h PRO 27 CO 0.31 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 2kua n ASP 28 N -3.29 0.00 -3.70 1.44 9.92 -1.26 -4.66 116.55 115.00 2kua n ASP 28 Ca -0.00 -1.28 -0.13 0.00 -0.53 0.00 0.00 54.79 52.85 2kua n ASP 28 Cb 0.34 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.69 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kua s THR 29 N -2.00 -0.17 0.23 -3.53 -1.32 -0.96 -5.14 115.64 102.75 2kua s THR 29 Ca 0.25 0.21 -0.30 0.00 -1.21 0.00 0.00 61.69 60.64 2kua s THR 29 Cb 0.11 -0.38 -0.09 0.00 -1.51 0.00 0.00 72.50 70.64 2kua s THR 29 CO 0.19 0.09 1.28 -2.16 -2.21 0.00 0.00 174.62 171.81 2kua s PRO 30 N 1.70 4.42 0.35 7.08 0.04 -1.26 -4.54 135.00 142.79 2kua s PRO 30 Ca -0.05 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 2kua s PRO 30 Cb -0.11 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 2kua s PRO 30 CO -0.08 -0.18 1.31 -1.21 0.04 0.00 0.00 177.00 176.88 2kua s GLU 31 N -0.60 4.24 1.06 4.56 2.02 -1.26 -5.01 118.70 123.70 2kua s GLU 31 Ca 0.54 2.20 -0.14 0.00 0.02 0.00 0.00 54.97 57.59 2kua s GLU 31 Cb -0.36 -2.97 0.22 0.00 0.10 0.00 0.00 34.13 31.11 2kua s GLU 31 CO 0.41 -0.28 1.10 -1.25 0.02 0.00 0.00 175.26 175.26 2kua s PRO 32 N -1.94 -0.05 1.02 0.39 0.04 -1.26 -5.04 135.00 128.16 2kua s PRO 32 Ca 0.51 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.78 2kua s PRO 32 Cb -0.39 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 32.65 2kua s PRO 32 CO 0.52 -3.02 1.09 -1.25 0.04 0.00 0.00 177.00 174.38 2kua s PRO 33 N -5.07 0.25 1.11 0.56 0.04 -1.26 -5.04 135.00 125.59 2kua s PRO 33 Ca 0.67 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.00 2kua s PRO 33 Cb -0.17 -1.72 0.24 0.00 0.04 0.00 0.00 34.50 32.90 2kua s PRO 33 CO 0.57 -2.84 1.10 -1.25 0.04 0.00 0.00 177.00 174.62 2kua s PRO 34 N -4.98 -0.49 -0.05 0.56 0.04 -1.26 -5.03 135.00 123.79 2kua s PRO 34 Ca 0.66 0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.92 2kua s PRO 34 Cb -0.18 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2kua s PRO 34 CO 0.58 -3.28 -0.02 -2.37 0.04 0.00 0.00 177.00 171.95 2kua n THR 35 N -4.50 0.34 -4.54 1.26 5.66 -1.26 -4.96 114.28 106.28 2kua n THR 35 Ca 0.09 -0.17 -0.26 0.00 -3.05 0.00 0.00 64.05 60.66 2kua n THR 35 Cb 0.58 -0.80 -0.09 0.00 -1.55 0.00 0.00 70.33 68.48 2kua n THR 35 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kua s SER 36 N -4.05 2.89 0.10 1.09 1.04 -1.26 -5.02 113.70 108.50 2kua s SER 36 Ca -0.05 -1.61 -0.22 0.00 0.48 0.00 0.00 55.95 54.55 2kua s SER 36 Cb 0.02 0.38 -0.13 0.00 0.10 0.00 0.00 66.02 66.39 2kua s SER 36 CO 0.17 -0.85 1.74 0.58 0.98 0.00 0.00 173.24 175.86 2kua h VAL 37 N 1.80 1.02 -0.01 5.02 2.07 -1.98 -0.76 116.25 123.40 2kua h VAL 37 Ca -0.38 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2kua h VAL 37 Cb 1.27 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2kua h VAL 37 CO 0.62 0.02 -0.29 1.05 0.02 0.00 0.00 177.57 178.99 2kua h GLU 38 N 0.08 0.01 0.00 1.57 9.09 -1.97 -2.24 114.58 121.12 2kua h GLU 38 Ca 0.02 -0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.32 2kua h GLU 38 Cb -0.00 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 2kua h GLU 38 CO -0.00 0.30 -0.50 0.00 0.05 0.00 0.00 179.01 178.86 2kua h ALA 39 N 1.70 0.95 0.08 1.06 0.00 -1.82 -2.14 119.26 119.09 2kua h ALA 39 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kua h ALA 39 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kua h ALA 39 CO 0.04 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 2kua h ALA 40 N 1.50 -0.11 0.38 0.00 0.00 -0.57 -2.88 119.26 117.59 2kua h ALA 40 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2kua h ALA 40 Cb 1.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kua h ALA 40 CO 0.06 -0.19 -0.18 1.25 0.00 0.00 0.00 179.25 180.19 2kua h LEU 41 N -0.85 -0.44 -0.66 0.00 7.12 -1.53 -2.46 115.31 116.49 2kua h LEU 41 Ca -0.01 -0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.13 2kua h LEU 41 Cb 0.60 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.73 2kua h LEU 41 CO 0.02 -0.27 0.04 -0.07 -0.13 0.00 0.00 178.44 178.02 2kua h LEU 42 N -0.56 -0.22 -2.29 2.25 3.38 -1.53 0.73 115.31 117.07 2kua h LEU 42 Ca -0.05 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kua h LEU 42 Cb 0.42 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2kua h LEU 42 CO 0.09 -0.11 -0.02 -0.09 0.09 0.00 0.00 178.44 178.39 2kua h ARG 43 N 0.15 0.00 0.16 1.13 1.12 -1.33 2.66 114.38 118.27 2kua h ARG 43 Ca 0.36 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.87 2kua h ARG 43 Cb 0.59 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.55 2kua h ARG 43 CO -0.54 0.02 -1.84 1.03 -3.11 0.00 0.00 179.97 175.53 2kua h SER 44 N 0.00 0.54 0.00 -3.80 0.87 0.59 -3.29 113.55 108.45 2kua h SER 44 Ca -0.00 -0.94 -0.11 0.00 -1.23 0.00 0.00 61.79 59.50 2kua h SER 44 Cb 0.06 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2kua h SER 44 CO 0.00 1.82 -0.94 1.33 -0.53 0.00 0.00 176.83 178.51 2kua n VAL 45 N -3.56 1.47 -0.29 2.23 0.24 0.20 -4.13 118.33 114.48 2kua n VAL 45 Ca -0.28 0.09 0.23 0.00 -2.04 0.00 0.00 64.34 62.34 2kua n VAL 45 Cb 1.06 -2.23 0.55 0.00 -1.47 0.00 0.00 33.84 31.74 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 0.56 -0.35 3.34 1.03 0.45 0.43 112.91 117.38 2kua h THR 46 Ca -0.17 -0.11 -0.02 0.00 -0.01 0.00 0.00 66.41 66.10 2kua h THR 46 Cb 0.89 0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 68.16 2kua h THR 46 CO -0.10 0.06 0.15 0.08 -0.01 0.00 0.00 175.52 175.70 2kua h ARG 47 N 0.33 0.48 0.02 0.00 -0.00 -1.59 -2.05 114.38 111.57 2kua h ARG 47 Ca 0.54 -0.05 -0.21 0.00 -0.00 0.00 0.00 59.98 60.26 2kua h ARG 47 Cb 1.49 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 31.34 2kua h ARG 47 CO -0.21 0.39 -0.99 -0.56 -0.00 0.00 0.00 179.97 178.60 2kua h GLN 48 N 0.48 0.05 -0.18 0.08 -0.00 -0.32 -3.00 115.11 112.22 2kua h GLN 48 Ca 0.12 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2kua h GLN 48 Cb 0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 2kua h GLN 48 CO -0.01 0.99 0.01 0.82 -0.00 0.00 0.00 178.83 180.64 2kua h ILE 49 N 0.02 1.11 0.00 1.86 1.08 -0.70 -2.17 117.51 118.71 2kua h ILE 49 Ca -0.03 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2kua h ILE 49 Cb 1.72 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 2kua h ILE 49 CO 0.14 0.14 -0.03 1.56 -0.69 0.00 0.00 178.15 179.27 2kua h GLN 50 N 0.25 0.00 0.00 2.37 4.20 -1.53 -1.12 115.11 119.28 2kua h GLN 50 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kua h GLN 50 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2kua h GLN 50 CO 0.00 0.00 0.57 -0.56 -0.67 0.00 0.00 178.83 178.18 2kua h GLN 51 N -0.93 0.00 0.03 1.46 3.07 -1.54 5.34 115.11 122.54 2kua h GLN 51 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 2kua h GLN 51 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.53 2kua h GLN 51 CO 0.00 0.00 -2.29 -0.85 0.09 0.00 0.00 178.83 175.78 2kua n GLU 52 N -2.70 0.67 -0.11 0.06 0.28 -0.82 -4.61 120.64 113.41 2kua n GLU 52 Ca -0.01 0.22 -0.20 0.00 -0.16 0.00 0.00 57.16 57.01 2kua n GLU 52 Cb 0.60 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.80 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 -3.52 0.00 -0.14 -1.84 8.25 0.64 -4.42 115.22 114.20 2kua n HIS 53 Ca -0.43 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.26 2kua n HIS 53 Cb 0.97 -0.85 0.34 0.00 1.12 0.00 0.00 29.99 31.58 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 -3.54 0.01 -0.36 -0.41 -0.00 1.71 0.35 117.38 115.15 2kua n GLN 54 Ca -0.42 0.91 0.33 0.00 -0.00 0.00 0.00 57.00 57.81 2kua n GLN 54 Cb 0.88 -2.28 0.67 0.00 -0.00 0.00 0.00 30.24 29.50 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 0.13 0.00 2.61 5.08 -1.76 0.69 114.58 121.33 2kua h GLU 55 Ca 0.39 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.40 2kua h GLU 55 Cb 2.54 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.70 2kua h GLU 55 CO -0.00 0.08 -2.29 1.19 -1.00 0.00 0.00 179.01 176.99 2kua n PHE 56 N -4.36 0.00 -0.00 4.33 3.01 0.16 -4.39 117.46 116.21 2kua n PHE 56 Ca 0.28 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.64 2kua n PHE 56 Cb 1.19 -0.87 -0.03 0.00 -0.01 0.00 0.00 39.48 39.76 2kua n PHE 56 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 2kua h PHE 57 N -0.05 -0.61 -0.77 1.38 0.04 -1.35 -1.75 116.94 113.82 2kua h PHE 57 Ca -0.51 0.03 0.17 0.00 2.80 0.00 0.00 57.97 60.45 2kua h PHE 57 Cb 1.77 0.29 -0.11 0.00 2.20 0.00 0.00 35.95 40.10 2kua h PHE 57 CO 0.02 -0.31 0.23 1.03 -0.60 0.00 0.00 178.31 178.68 2kua h SER 58 N -0.29 0.11 -0.97 2.17 0.87 -1.14 0.22 113.55 114.52 2kua h SER 58 Ca 0.10 0.14 0.16 0.00 -1.23 0.00 0.00 61.79 60.97 2kua h SER 58 Cb 0.44 0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.48 2kua h SER 58 CO -0.30 -0.01 0.61 -1.28 -0.53 0.00 0.00 176.83 175.32 2kua h SER 59 N 0.32 0.76 0.07 6.23 0.87 -1.53 -1.56 113.55 118.71 2kua h SER 59 Ca 0.44 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.84 2kua h SER 59 Cb 0.75 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2kua h SER 59 CO -0.50 0.34 -0.90 -0.26 -0.53 0.00 0.00 176.83 174.98 2kua h PHE 60 N 0.78 0.78 -0.38 2.24 0.04 -0.45 -2.88 116.94 117.06 2kua h PHE 60 Ca 0.52 -0.47 0.11 0.00 2.80 0.00 0.00 57.97 60.93 2kua h PHE 60 Cb 0.78 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 2kua h PHE 60 CO -0.00 1.32 0.51 0.00 -0.60 0.00 0.00 178.31 179.54 2kua n GLU 62 N -3.47 1.43 0.01 0.00 0.28 -0.94 -4.36 120.64 113.59 2kua n GLU 62 Ca 0.07 -3.15 -0.00 0.00 -0.16 0.00 0.00 57.16 53.91 2kua n GLU 62 Cb 0.67 -1.47 -0.00 0.00 1.43 0.00 0.00 31.44 32.07 2kua n GLU 62 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kua n SER 63 N -0.99 0.21 0.06 -1.84 2.88 0.11 -4.85 113.62 109.21 2kua n SER 63 Ca 0.18 0.03 0.11 0.00 -1.33 0.00 0.00 58.87 57.86 2kua n SER 63 Cb 0.73 -0.11 0.03 0.00 -0.75 0.00 0.00 64.21 64.10 2kua n SER 63 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kua n ARG 64 N -2.69 0.45 -0.94 -1.46 3.00 -1.14 -4.95 116.66 108.92 2kua n ARG 64 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 2kua n ARG 64 Cb 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.77 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 1.28 0.86 1.26 -0.13 0.00 -1.25 -4.87 105.19 102.35 2kua n GLY 65 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 3.42 -0.34 1.61 3.02 -1.26 -4.57 115.26 117.14 2kua n ASN 66 Ca 0.00 -2.32 0.28 0.00 -0.03 0.00 0.00 54.58 52.51 2kua n ASN 66 Cb 0.00 -0.62 0.46 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.31 -0.02 -0.05 3.52 1.85 -1.26 0.20 116.66 121.21 2kua n ARG 67 Ca 0.11 0.77 -0.12 0.00 -1.00 0.00 0.00 57.85 57.60 2kua n ARG 67 Cb 0.69 -1.58 -0.11 0.00 -1.05 0.00 0.00 32.46 30.40 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2kua h LEU 68 N 0.00 -0.02 -1.48 2.89 5.85 -1.94 -2.81 115.31 117.81 2kua h LEU 68 Ca 0.57 -0.77 0.29 0.00 0.84 0.00 0.00 57.88 58.81 2kua h LEU 68 Cb 1.98 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.93 2kua h LEU 68 CO -0.22 0.82 0.70 -0.33 -0.34 0.00 0.00 178.44 179.07 2kua h GLU 69 N -0.90 0.30 0.04 1.25 4.39 0.19 0.34 114.58 120.19 2kua h GLU 69 Ca -0.00 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 59.43 2kua h GLU 69 Cb 0.79 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2kua h GLU 69 CO 0.00 0.20 -1.05 -0.07 -1.16 0.00 0.00 179.01 176.93 2kua h LEU 70 N 0.31 0.60 -0.46 1.33 -0.00 -1.39 -2.21 115.31 113.49 2kua h LEU 70 Ca 0.60 -0.52 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2kua h LEU 70 Cb 1.68 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 42.13 2kua h LEU 70 CO -0.25 1.34 0.28 1.62 -0.00 0.00 0.00 178.44 181.43 2kua h VAL 71 N 0.23 1.07 -0.12 1.22 3.04 -0.08 -0.31 116.25 121.29 2kua h VAL 71 Ca -0.11 -0.20 -0.13 0.00 -1.01 0.00 0.00 66.70 65.25 2kua h VAL 71 Cb 1.71 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2kua h VAL 71 CO 0.19 0.10 -0.44 0.07 -1.01 0.00 0.00 177.57 176.48 2kua h LYS 72 N 0.57 0.50 -0.27 4.17 2.10 -1.39 -2.93 116.57 119.32 2kua h LYS 72 Ca 0.18 -0.39 0.05 0.00 -2.00 0.00 0.00 60.65 58.50 2kua h LYS 72 Cb -0.01 0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.35 2kua h LYS 72 CO -0.07 1.01 -0.03 1.96 -2.00 0.00 0.00 179.45 180.32 2kua h GLN 73 N 0.10 0.05 0.33 0.07 7.50 -1.22 -2.12 115.11 119.82 2kua h GLN 73 Ca -0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 2kua h GLN 73 Cb 1.07 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.57 2kua h GLN 73 CO 0.09 0.03 -0.31 0.52 -1.50 0.00 0.00 178.83 177.66 2kua h MET 74 N 0.05 -0.64 -0.17 1.46 2.86 -1.12 -0.79 114.93 116.59 2kua h MET 74 Ca 0.13 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2kua h MET 74 Cb 0.19 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2kua h MET 74 CO -0.25 -0.43 0.46 0.00 1.06 0.00 0.00 176.91 177.76 2kua h ALA 75 N -0.12 1.70 0.00 6.32 0.00 -1.30 0.65 119.26 126.50 2kua h ALA 75 Ca -0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 2kua h ALA 75 Cb 0.60 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2kua h ALA 75 CO -0.05 -0.54 -1.21 0.22 0.00 0.00 0.00 179.25 177.66 2kua h ASP 76 N 0.00 0.00 0.04 0.00 1.82 -0.49 -0.71 116.42 117.08 2kua h ASP 76 Ca 0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 2kua h ASP 76 Cb 0.99 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.01 2kua h ASP 76 CO -0.00 0.97 -0.26 0.07 -1.61 0.00 0.00 179.24 178.41 2kua h LYS 77 N 0.00 0.09 0.00 0.28 2.10 0.91 -3.40 116.57 116.54 2kua h LYS 77 Ca -0.10 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.37 2kua h LYS 77 Cb 1.83 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 33.21 2kua h LYS 77 CO 0.11 1.07 -0.23 1.37 -2.00 0.00 0.00 179.45 179.77 2kua h LEU 78 N -0.82 0.00-10.20 7.07 -0.00 -1.27 -3.47 115.31 106.63 2kua h LEU 78 Ca -0.05 -0.41 -0.49 0.00 -0.00 0.00 0.00 57.88 56.94 2kua h LEU 78 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2kua h LEU 78 CO 0.04 0.83 -0.18 -0.76 -0.00 0.00 0.00 178.44 178.36 2kua s LEU 79 N -8.31 4.03 0.00 0.17 2.01 -0.27 -4.80 118.68 111.51 2kua s LEU 79 Ca -0.12 0.51 -0.09 0.00 0.01 0.00 0.00 54.13 54.44 2kua s LEU 79 Cb -0.00 -3.36 0.04 0.00 0.01 0.00 0.00 46.19 42.87 2kua s LEU 79 CO 0.34 -0.26 0.47 -0.24 1.01 0.00 0.00 176.35 177.67 2kua n SER 80 N -1.53 -1.07 -0.11 2.29 2.88 -1.25 -3.71 113.62 111.11 2kua n SER 80 Ca -0.04 -1.67 -0.14 0.00 -1.33 0.00 0.00 58.87 55.69 2kua n SER 80 Cb 0.55 1.76 -0.13 0.00 -0.75 0.00 0.00 64.21 65.65 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 -0.33 0.70 0.00 -1.46 2.85 -1.26 -4.51 118.16 114.16 2kua n LYS 81 Ca -0.03 0.09 0.08 0.00 -1.05 0.00 0.00 58.31 57.40 2kua n LYS 81 Cb 0.31 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 2kua n LYS 81 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kua n ASP 82 N -3.05 1.15 -4.70 -5.58 -0.08 -1.26 -4.54 116.55 98.49 2kua n ASP 82 Ca -0.39 -1.07 -0.40 0.00 -1.51 0.00 0.00 54.79 51.42 2kua n ASP 82 Cb 1.01 0.79 -0.05 0.00 2.34 0.00 0.00 41.12 45.21 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kua s GLN 83 N -2.33 4.36 -0.62 -0.67 1.11 -1.26 -4.95 119.66 115.29 2kua s GLN 83 Ca 0.09 0.77 -0.25 0.00 0.01 0.00 0.00 55.36 55.98 2kua s GLN 83 Cb 0.13 -3.49 -0.22 0.00 -1.01 0.00 0.00 33.01 28.42 2kua s GLN 83 CO 0.58 -0.03 1.84 -3.47 0.01 0.00 0.00 175.29 174.22 2kua n ASP 84 N 4.21 2.04 -3.90 5.90 2.03 -1.26 -4.54 116.55 121.03 2kua n ASP 84 Ca -0.02 -2.61 -0.26 0.00 0.52 0.00 0.00 54.79 52.43 2kua n ASP 84 Cb 0.51 -1.06 0.14 0.00 -0.72 0.00 0.00 41.12 39.99 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2kua n PHE 85 N 9.90 -1.86 -3.99 -0.67 -1.74 -1.26 -5.04 117.46 112.80 2kua n PHE 85 Ca 0.47 0.13 -0.08 0.00 -0.56 0.00 0.00 57.45 57.41 2kua n PHE 85 Cb 0.42 -1.45 -0.09 0.00 1.52 0.00 0.00 39.48 39.88 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 -1.81 0.31 0.38 5.98 0.15 -1.26 -5.03 113.70 112.42 2kua s SER 86 Ca 0.43 -0.77 0.14 0.00 0.70 0.00 0.00 55.95 56.46 2kua s SER 86 Cb -0.06 0.23 0.99 0.00 -1.71 0.00 0.00 66.02 65.47 2kua s SER 86 CO 0.49 -0.58 1.80 -0.50 1.20 0.00 0.00 173.24 175.64 2kua h TRP 87 N 3.29 0.75 -0.23 3.44 -0.00 -2.00 0.39 115.95 121.59 2kua h TRP 87 Ca -0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.57 2kua h TRP 87 Cb 1.17 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 30.09 2kua h TRP 87 CO 0.52 0.14 0.11 0.77 -0.00 0.00 0.00 178.44 179.98 2kua h SER 88 N 0.51 0.28 -0.05 -3.49 0.02 -2.00 -2.20 113.55 106.62 2kua h SER 88 Ca 0.55 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.24 2kua h SER 88 Cb 1.22 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.70 2kua h SER 88 CO -0.29 0.24 -0.93 1.56 -1.14 0.00 0.00 176.83 176.27 2kua h GLN 89 N 0.32 0.73 0.28 3.45 1.08 -0.63 -2.58 115.11 117.76 2kua h GLN 89 Ca 0.08 -0.70 -0.00 0.00 -1.45 0.00 0.00 58.65 56.58 2kua h GLN 89 Cb 0.03 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2kua h GLN 89 CO -0.01 1.29 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.86 2kua h LEU 90 N 0.45 -0.59 -1.55 1.46 3.38 -0.93 0.32 115.31 117.86 2kua h LEU 90 Ca -0.10 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2kua h LEU 90 Cb 1.57 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 2kua h LEU 90 CO 0.19 -0.34 -0.08 -0.37 0.09 0.00 0.00 178.44 177.92 2kua h VAL 91 N -0.51 1.14 -0.36 1.22 -1.51 -1.54 -2.59 116.25 112.08 2kua h VAL 91 Ca -0.02 -0.58 -0.09 0.00 -1.23 0.00 0.00 66.70 64.78 2kua h VAL 91 Cb 0.46 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2kua h VAL 91 CO -0.02 0.18 -0.14 -0.03 -1.23 0.00 0.00 177.57 176.33 2kua h MET 92 N 0.18 0.74 -0.57 5.19 -1.53 -0.99 -2.62 114.93 115.32 2kua h MET 92 Ca 0.04 -0.31 0.04 0.00 -3.44 0.00 0.00 59.70 56.04 2kua h MET 92 Cb 0.26 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.24 2kua h MET 92 CO 0.01 0.91 0.31 1.25 0.14 0.00 0.00 176.91 179.54 2kua h LEU 93 N 0.53 0.47 -0.67 3.39 5.85 -0.56 -2.10 115.31 122.22 2kua h LEU 93 Ca 0.09 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2kua h LEU 93 Cb 0.67 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2kua h LEU 93 CO 0.05 0.32 0.36 -0.07 -0.34 0.00 0.00 178.44 178.75 2kua h LEU 94 N 0.60 0.85 0.50 2.25 4.07 -1.46 -2.09 115.31 120.03 2kua h LEU 94 Ca 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 2kua h LEU 94 Cb 0.12 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2kua h LEU 94 CO -0.15 0.71 -0.45 0.00 -1.08 0.00 0.00 178.44 177.48 2kua h ALA 95 N 1.17 -1.03 0.26 1.53 0.00 -1.02 -2.57 119.26 117.61 2kua h ALA 95 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kua h ALA 95 Cb 0.06 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kua h ALA 95 CO -0.04 -1.11 -0.48 0.35 0.00 0.00 0.00 179.25 177.97 2kua h PHE 96 N -0.95 -1.37 -0.82 0.00 3.57 -1.34 -1.31 116.94 114.72 2kua h PHE 96 Ca -0.06 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.62 2kua h PHE 96 Cb 0.82 0.57 -0.15 0.00 2.79 0.00 0.00 35.95 39.98 2kua h PHE 96 CO -0.21 -0.58 -0.25 0.00 -2.23 0.00 0.00 178.31 175.04 2kua n ALA 97 N -2.84 0.08 0.16 2.41 0.00 -0.79 0.24 120.51 119.77 2kua n ALA 97 Ca -0.09 0.87 0.02 0.00 0.00 0.00 0.00 53.44 54.23 2kua n ALA 97 Cb 0.40 -0.47 0.34 0.00 0.00 0.00 0.00 19.45 19.72 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 0.07 2.00 0.00 0.00 -1.02 -2.50 103.07 101.63 2kua h GLY 98 Ca 0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 2kua h GLY 98 CO -0.83 0.05 -0.25 0.00 0.00 0.00 0.00 176.54 175.52 2kua h THR 99 N 0.06 0.76 0.12 4.70 1.03 0.43 -2.96 112.91 117.05 2kua h THR 99 Ca 0.01 -1.03 -0.30 0.00 -0.01 0.00 0.00 66.41 65.07 2kua h THR 99 Cb 0.66 1.64 -0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2kua h THR 99 CO 0.05 0.24 -1.50 -0.07 -0.01 0.00 0.00 175.52 174.23 2kua h LEU 100 N 0.00 0.41 -6.15 0.00 3.38 -0.72 -3.43 115.31 108.79 2kua h LEU 100 Ca -0.00 -0.55 -0.38 0.00 0.09 0.00 0.00 57.88 57.04 2kua h LEU 100 Cb 0.62 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2kua h LEU 100 CO 0.03 1.45 1.36 0.80 0.09 0.00 0.00 178.44 182.17 2kua n MET 101 N -3.47 0.00 -1.28 1.13 1.56 -0.98 -4.84 117.12 109.24 2kua n MET 101 Ca -0.16 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 56.97 2kua n MET 101 Cb 1.04 -1.14 0.10 0.00 2.15 0.00 0.00 33.22 35.37 2kua n MET 101 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2kua s ASN 102 N 6.76 4.29 -0.11 6.12 4.22 -1.26 -4.85 114.94 130.11 2kua s ASN 102 Ca 1.04 1.69 -0.04 0.00 -2.14 0.00 0.00 52.86 53.41 2kua s ASN 102 Cb -0.96 -2.40 0.06 0.00 1.28 0.00 0.00 41.25 39.22 2kua s ASN 102 CO 0.38 -2.15 0.24 -1.10 -2.04 0.00 0.00 177.10 172.42 2kua s GLN 103 N -4.93 0.13 -0.33 3.55 -1.52 -1.26 -4.54 119.66 110.75 2kua s GLN 103 Ca 0.61 0.67 0.03 0.00 -1.95 0.00 0.00 55.36 54.72 2kua s GLN 103 Cb -0.17 -0.10 0.16 0.00 -0.22 0.00 0.00 33.01 32.68 2kua s GLN 103 CO 0.56 -0.27 1.17 0.41 -0.25 0.00 0.00 175.29 176.91 2kua n GLY 104 N 5.14 -0.73 0.00 3.09 0.00 -1.26 -5.15 105.19 106.28 2kua n GLY 104 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.24 0.42 0.00 1.61 -0.04 -1.26 -4.99 135.00 130.51 2kua n PRO 105 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2kua n PRO 105 Cb 0.69 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.15 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 -1.08 0.00 -1.25 0.54 9.36 -1.26 -5.02 117.16 118.46 2kua n TYR 106 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 2kua n TYR 106 Cb 0.00 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 38.55 2kua n TYR 106 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2kua n MET 107 N -0.54 0.00 0.00 2.98 2.81 -1.26 -4.83 117.12 116.28 2kua n MET 107 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kua n MET 107 Cb 0.02 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2kua n MET 107 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kua n ALA 108 N 6.48 0.00 -0.07 3.04 0.00 -1.26 -5.06 120.51 123.64 2kua n ALA 108 Ca 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 2kua n ALA 108 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 2kua n ALA 108 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kua h VAL 109 N 0.00 1.28 -1.68 0.00 3.04 -1.96 -3.40 116.25 113.53 2kua h VAL 109 Ca 0.00 -1.98 -0.69 0.00 -1.01 0.00 0.00 66.70 63.02 2kua h VAL 109 Cb 0.00 2.44 -0.14 0.00 -2.01 0.00 0.00 31.29 31.59 2kua h VAL 109 CO 0.00 0.43 1.49 -0.54 -1.01 0.00 0.00 177.57 177.95 2kua s LYS 110 N -2.06 3.87 0.06 4.17 3.01 -1.26 -4.94 119.74 122.59 2kua s LYS 110 Ca -0.15 -1.98 -0.05 0.00 -1.01 0.00 0.00 55.97 52.78 2kua s LYS 110 Cb -0.02 -5.21 -0.02 0.00 -1.01 0.00 0.00 37.83 31.57 2kua s LYS 110 CO 0.51 -1.98 0.09 -0.65 0.51 0.00 0.00 175.35 173.83 2kua s GLN 111 N 3.14 0.70 0.36 1.68 -1.52 -1.26 -5.04 119.66 117.72 2kua s GLN 111 Ca 0.44 -1.01 0.12 0.00 -1.95 0.00 0.00 55.36 52.96 2kua s GLN 111 Cb -0.01 0.27 0.68 0.00 -0.22 0.00 0.00 33.01 33.73 2kua s GLN 111 CO -0.02 -0.18 1.81 1.57 -0.25 0.00 0.00 175.29 178.22 2kua h LYS 112 N 3.10 0.04 -4.92 2.91 2.10 -1.97 -3.46 116.57 114.37 2kua h LYS 112 Ca -0.34 -0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 57.82 2kua h LYS 112 Cb 1.17 -0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.37 2kua h LYS 112 CO 0.58 0.41 -0.50 1.03 -2.00 0.00 0.00 179.45 178.97 2kua s ARG 113 N -4.19 1.77 0.06 0.07 0.52 -1.26 -5.11 118.95 110.80 2kua s ARG 113 Ca -0.03 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.14 2kua s ARG 113 Cb 0.14 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.67 2kua s ARG 113 CO 0.73 -0.59 0.00 -0.25 0.02 0.00 0.00 175.30 175.21 2kua n ASP 114 N -1.40 0.13 0.00 0.23 9.92 -1.26 -4.80 116.55 119.36 2kua n ASP 114 Ca 0.03 0.10 0.06 0.00 -0.53 0.00 0.00 54.79 54.45 2kua n ASP 114 Cb 0.63 0.02 0.25 0.00 -0.64 0.00 0.00 41.12 41.38 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kua n LEU 115 N -2.79 0.00 -3.40 0.64 -0.00 -1.26 -4.02 117.00 106.16 2kua n LEU 115 Ca 0.00 0.48 -0.39 0.00 -0.00 0.00 0.00 56.01 56.10 2kua n LEU 115 Cb 0.00 -0.48 -0.02 0.00 -0.00 0.00 0.00 43.42 42.91 2kua n LEU 115 CO 0.00 -0.29 3.23 0.61 -0.00 0.00 0.00 177.39 180.94 2kua n GLY 116 N -0.30 4.25 2.96 1.47 0.00 -1.26 -4.77 105.19 107.54 2kua n GLY 116 Ca 0.03 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 2kua n GLY 116 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kua n ASN 117 N 4.16 6.50 -1.77 1.61 6.94 -1.26 -4.73 115.26 126.72 2kua n ASN 117 Ca 0.72 -3.44 -0.19 0.00 -0.02 0.00 0.00 54.58 51.65 2kua n ASN 117 Cb 0.26 -1.27 0.09 0.00 -2.36 0.00 0.00 39.78 36.51 2kua n ASN 117 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2kua n ARG 118 N 1.24 2.81 -0.00 -3.83 -4.01 -1.26 -4.61 116.66 107.01 2kua n ARG 118 Ca 0.29 -3.67 -0.00 0.00 -1.04 0.00 0.00 57.85 53.42 2kua n ARG 118 Cb 0.32 -2.12 -0.00 0.00 -3.04 0.00 0.00 32.46 27.63 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2kua h VAL 119 N 1.54 0.00 0.12 8.89 2.07 -1.99 -3.28 116.25 123.61 2kua h VAL 119 Ca 0.36 -0.13 -0.33 0.00 0.82 0.00 0.00 66.70 67.43 2kua h VAL 119 Cb 1.40 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2kua h VAL 119 CO 0.78 0.00 -1.69 0.16 0.02 0.00 0.00 177.57 176.85 2kua h ILE 120 N -0.13 0.97 -0.85 4.57 -2.65 -1.94 -3.29 117.51 114.19 2kua h ILE 120 Ca -0.00 -2.64 0.03 0.00 1.03 0.00 0.00 64.86 63.28 2kua h ILE 120 Cb 0.01 2.68 -0.05 0.00 -2.05 0.00 0.00 36.82 37.40 2kua h ILE 120 CO 0.00 0.81 0.55 1.62 0.03 0.00 0.00 178.15 181.16 2kua h VAL 121 N 0.07 1.15 -0.54 0.16 3.04 -1.81 0.68 116.25 119.01 2kua h VAL 121 Ca -0.30 -0.37 -0.04 0.00 -1.01 0.00 0.00 66.70 64.97 2kua h VAL 121 Cb 2.04 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.28 2kua h VAL 121 CO 0.14 0.20 0.17 0.00 -1.01 0.00 0.00 177.57 177.07 2kua h THR 122 N 1.08 1.23 -0.03 3.17 1.03 -1.70 0.64 112.91 118.34 2kua h THR 122 Ca 0.33 -0.79 -0.21 0.00 -0.01 0.00 0.00 66.41 65.73 2kua h THR 122 Cb -0.02 0.73 -0.00 0.00 -1.07 0.00 0.00 68.15 67.78 2kua h THR 122 CO -0.10 0.29 -0.87 0.08 -0.01 0.00 0.00 175.52 174.91 2kua h ARG 123 N 0.74 0.40 -0.01 0.00 0.11 -1.51 -2.50 114.38 111.61 2kua h ARG 123 Ca 0.17 -0.39 -0.20 0.00 0.10 0.00 0.00 59.98 59.66 2kua h ARG 123 Cb 0.28 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2kua h ARG 123 CO -0.01 1.06 -0.85 -0.44 0.10 0.00 0.00 179.97 179.83 2kua h ASP 124 N 0.24 0.31 -0.25 0.08 3.32 0.53 -3.01 116.42 117.63 2kua h ASP 124 Ca -0.06 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 56.57 2kua h ASP 124 Cb 1.49 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 2kua h ASP 124 CO 0.15 1.02 -0.51 0.00 -1.72 0.00 0.00 179.24 178.18 2kua h LEU 127 N -0.08 -0.33 -0.35 0.00 8.10 -1.56 0.61 115.31 121.70 2kua h LEU 127 Ca 0.01 -0.18 0.05 0.00 0.11 0.00 0.00 57.88 57.87 2kua h LEU 127 Cb 0.11 0.08 -0.04 0.00 -0.44 0.00 0.00 40.66 40.37 2kua h LEU 127 CO -0.00 0.02 0.10 -0.29 -4.11 0.00 0.00 178.44 174.16 2kua h ILE 128 N -0.70 0.87 -0.08 0.15 2.10 -1.20 -1.99 117.51 116.65 2kua h ILE 128 Ca -0.04 -0.08 -0.13 0.00 1.08 0.00 0.00 64.86 65.68 2kua h ILE 128 Cb 0.48 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 2kua h ILE 128 CO 0.06 0.04 -0.55 0.58 -1.08 0.00 0.00 178.15 177.21 2kua h VAL 129 N 0.24 1.37 -0.98 2.19 2.07 -0.33 -3.03 116.25 117.78 2kua h VAL 129 Ca 0.16 -1.86 0.07 0.00 0.82 0.00 0.00 66.70 65.89 2kua h VAL 129 Cb 0.16 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 2kua h VAL 129 CO -0.19 0.55 0.63 -1.13 0.02 0.00 0.00 177.57 177.45 2kua h ASN 130 N 0.17 1.00 0.28 0.57 -0.73 0.95 0.77 115.58 118.59 2kua h ASN 130 Ca 0.00 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 2kua h ASN 130 Cb 1.03 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.42 2kua h ASN 130 CO 0.08 0.63 -0.13 0.15 -0.37 0.00 0.00 177.43 177.79 2kua h PHE 131 N 1.13 -0.34 0.55 0.67 3.57 -1.35 -2.82 116.94 118.35 2kua h PHE 131 Ca 0.43 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.89 2kua h PHE 131 Cb 0.18 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.04 2kua h PHE 131 CO -0.01 0.02 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.75 2kua h LEU 132 N -0.87 -0.63 -0.97 0.59 4.07 -1.40 -0.09 115.31 116.02 2kua h LEU 132 Ca -0.04 -0.00 0.30 0.00 0.08 0.00 0.00 57.88 58.22 2kua h LEU 132 Cb 0.51 0.16 -0.15 0.00 1.08 0.00 0.00 40.66 42.27 2kua h LEU 132 CO 0.06 -0.40 0.48 0.22 -1.08 0.00 0.00 178.44 177.72 2kua h TYR 133 N -0.80 0.77 0.00 1.13 3.20 0.43 1.10 116.97 122.80 2kua h TYR 133 Ca -0.08 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 2kua h TYR 133 Cb 0.59 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2kua h TYR 133 CO -0.02 -0.19 -0.63 -2.95 -1.64 0.00 0.00 178.16 172.73 2kua h ASN 134 N 0.29 0.00 0.45 -2.11 7.08 -1.22 -2.66 115.58 117.41 2kua h ASN 134 Ca 0.69 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.89 2kua h ASN 134 Cb 1.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.78 2kua h ASN 134 CO -0.63 0.63 -0.22 0.25 -2.08 0.00 0.00 177.43 175.38 2kua h LEU 135 N 0.00 -0.51 -0.23 6.14 7.12 0.32 -2.58 115.31 125.56 2kua h LEU 135 Ca -0.01 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2kua h LEU 135 Cb 1.36 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.62 2kua h LEU 135 CO 0.08 -0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.10 2kua n LEU 136 N -5.31 0.36 -1.70 2.25 -0.00 -0.71 -3.34 117.00 108.55 2kua n LEU 136 Ca -0.11 -0.13 -0.04 0.00 -0.00 0.00 0.00 56.01 55.72 2kua n LEU 136 Cb 0.28 -0.01 0.28 0.00 -0.00 0.00 0.00 43.42 43.96 2kua n LEU 136 CO 0.35 0.07 0.95 0.23 -0.00 0.00 0.00 177.39 178.98 2kua n MET 137 N -0.66 3.22 -3.29 1.47 2.81 -0.98 -3.15 117.12 116.54 2kua n MET 137 Ca 0.20 -3.06 -0.36 0.00 -1.81 0.00 0.00 57.70 52.67 2kua n MET 137 Cb 0.15 -2.09 -0.06 0.00 -0.71 0.00 0.00 33.22 30.51 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 -1.44 2.51 0.24 3.03 0.00 -1.20 -4.77 107.32 105.69 2kua s GLY 138 Ca 0.52 -0.05 -0.10 0.00 0.00 0.00 0.00 44.72 45.09 2kua s GLY 138 CO 0.11 0.26 1.61 3.21 0.00 0.00 0.00 173.10 178.28 2kua h ARG 139 N 3.59 0.02 0.01 2.90 2.47 -1.93 1.55 114.38 122.99 2kua h ARG 139 Ca -0.48 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 2kua h ARG 139 Cb 1.19 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2kua h ARG 139 CO 0.65 0.02 -0.08 0.07 0.56 0.00 0.00 179.97 181.19 2kua h ARG 140 N 0.02 0.03 0.56 0.04 0.11 -1.93 -2.57 114.38 110.64 2kua h ARG 140 Ca 0.39 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 60.39 2kua h ARG 140 Cb 0.63 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2kua h ARG 140 CO -0.76 0.99 -0.32 1.25 0.10 0.00 0.00 179.97 181.23 2kua h HIS 141 N -0.90 -0.84 -0.24 4.08 2.76 -1.64 -1.94 115.15 116.44 2kua h HIS 141 Ca -0.01 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2kua h HIS 141 Cb 1.02 0.29 -0.06 0.00 1.55 0.00 0.00 27.41 30.22 2kua h HIS 141 CO 0.26 -0.48 -0.13 -0.09 -1.30 0.00 0.00 177.93 176.18 2kua h ARG 142 N -0.81 -0.11 -1.06 5.26 9.65 0.22 -0.64 114.38 126.90 2kua h ARG 142 Ca -0.08 0.01 0.29 0.00 -1.10 0.00 0.00 59.98 59.10 2kua h ARG 142 Cb 0.64 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.13 2kua h ARG 142 CO 0.10 -0.07 0.66 0.00 2.80 0.00 0.00 179.97 183.45 2kua h ALA 143 N 1.07 2.14 0.02 2.80 0.00 -1.43 0.28 119.26 124.14 2kua h ALA 143 Ca 0.13 0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 2kua h ALA 143 Cb 0.31 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kua h ALA 143 CO -0.31 -0.62 -1.03 -0.09 0.00 0.00 0.00 179.25 177.20 2kua h ARG 144 N 0.40 0.57 -0.74 0.00 9.65 -0.35 -0.98 114.38 122.91 2kua h ARG 144 Ca 0.66 -0.63 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 2kua h ARG 144 Cb 1.59 0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 30.30 2kua h ARG 144 CO -0.40 1.24 0.45 1.25 2.80 0.00 0.00 179.97 185.31 2kua h LEU 145 N 0.31 0.71 0.04 3.80 7.12 0.90 -2.42 115.31 125.78 2kua h LEU 145 Ca -0.12 0.01 -0.25 0.00 0.13 0.00 0.00 57.88 57.66 2kua h LEU 145 Cb 1.68 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.66 2kua h LEU 145 CO 0.19 0.47 -1.23 1.05 -0.13 0.00 0.00 178.44 178.80 2kua h GLU 146 N 0.85 0.09 0.00 1.25 4.11 -1.31 -1.52 114.58 118.05 2kua h GLU 146 Ca 0.32 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.59 2kua h GLU 146 Cb 0.11 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kua h GLU 146 CO -0.15 0.99 0.01 0.00 0.07 0.00 0.00 179.01 179.93 2kua h ALA 147 N 0.84 1.01 -0.46 1.06 0.00 -0.69 0.59 119.26 121.60 2kua h ALA 147 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2kua h ALA 147 Cb 1.88 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.56 2kua h ALA 147 CO 0.14 -0.01 0.07 1.47 0.00 0.00 0.00 179.25 180.93 2kua n LEU 148 N -2.32 4.61 0.00 0.00 -0.00 -1.02 -4.87 117.00 113.40 2kua n LEU 148 Ca -0.02 -3.54 0.00 0.00 -0.00 0.00 0.00 56.01 52.45 2kua n LEU 148 Cb 0.05 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 2kua n LEU 148 CO 0.10 1.06 0.00 0.61 -0.00 0.00 0.00 177.39 179.17 2kua n GLY 149 N -0.92 0.74 6.07 1.47 0.00 0.15 -4.48 105.19 108.21 2kua n GLY 149 Ca 0.35 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.13 -0.33 0.45 -0.02 0.00 -0.57 0.27 105.19 102.86 2kua n GLY 150 Ca 0.00 -0.32 0.38 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.78 0.52 -0.08 1.61 7.02 -1.26 0.17 117.44 124.63 2kua n TRP 151 Ca 0.00 0.52 -0.08 0.00 -1.02 0.00 0.00 57.50 56.92 2kua n TRP 151 Cb 0.03 -0.95 -0.01 0.00 -2.42 0.00 0.00 31.31 27.96 2kua n TRP 151 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 2kua h ASP 152 N 0.00 0.25 0.04 -0.99 1.82 -1.84 -1.93 116.42 113.77 2kua h ASP 152 Ca 0.79 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 57.40 2kua h ASP 152 Cb 2.65 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 42.61 2kua h ASP 152 CO -0.34 0.18 -0.11 1.23 -1.61 0.00 0.00 179.24 178.59 2kua h GLY 153 N 0.33 0.17 0.64 -0.78 0.00 0.62 -2.88 103.07 101.17 2kua h GLY 153 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2kua h GLY 153 CO -0.06 0.09 -0.08 -2.75 0.00 0.00 0.00 176.54 173.73 2kua h PHE 154 N 0.16 -0.22 -0.96 5.60 3.57 -1.15 0.42 116.94 124.36 2kua h PHE 154 Ca 0.03 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.72 2kua h PHE 154 Cb 0.29 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 2kua h PHE 154 CO 0.00 0.13 0.61 0.00 -2.23 0.00 0.00 178.31 176.83 2kua h ARG 156 N 0.62 0.00 -0.23 0.00 1.12 -1.42 -1.20 114.38 113.27 2kua h ARG 156 Ca 0.52 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.33 2kua h ARG 156 Cb 0.99 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 2kua h ARG 156 CO -0.27 0.65 -0.08 0.35 -3.11 0.00 0.00 179.97 177.50 2kua h PHE 157 N 0.00 0.52 -0.01 2.20 3.57 0.17 -3.06 116.94 120.33 2kua h PHE 157 Ca -0.02 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2kua h PHE 157 Cb 1.52 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2kua h PHE 157 CO 0.00 0.71 -0.20 1.19 -2.23 0.00 0.00 178.31 177.78 2kua n PHE 158 N -4.55 0.00 -2.95 0.41 3.01 -0.42 -5.01 117.46 107.95 2kua n PHE 158 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.35 2kua n PHE 158 Cb 0.31 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.74 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 -0.11 -2.36 -1.48 -1.08 4.01 -0.53 -4.85 118.16 111.76 2kua n LYS 159 Ca 0.14 2.04 -0.41 0.00 -0.51 0.00 0.00 58.31 59.57 2kua n LYS 159 Cb 0.40 -4.12 0.02 0.00 -0.51 0.00 0.00 35.03 30.81 2kua n LYS 159 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2kua n ASN 160 N 0.47 -0.57 -0.07 4.39 5.15 -0.76 -4.90 115.26 118.99 2kua n ASN 160 Ca 0.02 0.88 -0.11 0.00 -0.60 0.00 0.00 54.58 54.78 2kua n ASN 160 Cb 0.31 -1.17 0.03 0.00 -0.53 0.00 0.00 39.78 38.42 2kua n ASN 160 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2kua h PRO 161 N 0.77 0.77 -7.05 1.20 0.13 -1.92 -3.45 132.00 122.45 2kua h PRO 161 Ca -0.42 -0.40 -0.55 0.00 -0.87 0.00 0.00 66.00 63.75 2kua h PRO 161 Cb 1.39 0.01 0.17 0.00 0.13 0.00 0.00 31.00 32.71 2kua h PRO 161 CO 0.51 1.03 0.26 1.47 -0.23 0.00 0.00 178.00 181.04 2kua n LEU 162 N -4.04 4.34 0.00 1.56 -0.00 -1.26 -5.01 117.00 112.59 2kua n LEU 162 Ca -0.02 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.68 2kua n LEU 162 Cb 0.54 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 2kua n LEU 162 CO 0.47 -1.71 0.01 -0.81 -0.00 0.00 0.00 177.39 175.36 2kua n PRO 163 N -2.23 0.00 -4.18 1.47 -0.04 -1.26 -4.95 135.00 123.81 2kua n PRO 163 Ca 0.14 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 2kua n PRO 163 Cb 0.49 -0.30 -0.09 0.00 -0.04 0.00 0.00 33.50 33.56 2kua n PRO 163 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2kua s LEU 164 N -0.09 3.25 0.00 1.53 2.34 -1.26 -5.09 118.68 119.36 2kua s LEU 164 Ca 0.00 -0.31 0.18 0.00 0.06 0.00 0.00 54.13 54.05 2kua s LEU 164 Cb 0.00 -1.99 0.14 0.00 -0.56 0.00 0.00 46.19 43.78 2kua s LEU 164 CO 0.00 0.16 1.06 0.61 -1.06 0.00 0.00 176.35 177.12