#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 0.28 -1.45 1.61 -0.04 -1.26 -4.82 135.00 129.32 2kua n PRO -4 Ca 0.00 0.11 -0.58 0.00 -0.04 0.00 0.00 63.50 62.99 2kua n PRO -4 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2kua n PRO -4 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kua n LEU -3 N -1.21 1.50 0.00 1.53 7.94 -1.26 -4.77 117.00 120.72 2kua n LEU -3 Ca 0.08 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 2kua n LEU -3 Cb 0.10 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.00 2kua n LEU -3 CO 0.11 -0.71 0.00 0.61 -1.11 0.00 0.00 177.39 176.29 2kua n GLY -2 N 6.23 4.10 3.38 -3.96 0.00 -1.26 -5.15 105.19 108.52 2kua n GLY -2 Ca 0.43 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.68 2kua n GLY -2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kua s SER 0 N 0.00 -0.89 0.02 1.61 0.15 -1.26 -5.05 113.70 108.28 2kua s SER 0 Ca 0.00 0.95 -0.17 0.00 0.70 0.00 0.00 55.95 57.43 2kua s SER 0 Cb 0.00 1.91 -0.29 0.00 -1.71 0.00 0.00 66.02 65.92 2kua s SER 0 CO 0.00 -0.17 1.05 0.00 1.20 0.00 0.00 173.24 175.32 2kua h MET 1 N 7.82 0.51 -4.10 5.44 -0.00 -2.01 -3.48 114.93 119.12 2kua h MET 1 Ca -0.18 -0.72 -0.14 0.00 -0.00 0.00 0.00 59.70 58.67 2kua h MET 1 Cb 1.13 0.24 -0.13 0.00 -0.00 0.00 0.00 31.60 32.84 2kua h MET 1 CO 0.10 1.32 -0.40 0.00 -0.00 0.00 0.00 176.91 177.92 2kua s ALA 2 N -2.86 0.39 0.00 -3.00 0.00 -1.26 -5.08 121.76 109.95 2kua s ALA 2 Ca -0.11 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2kua s ALA 2 Cb 0.04 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2kua s ALA 2 CO 0.90 -0.66 0.00 -0.40 0.00 0.00 0.00 175.76 175.59 2kua n ASP 3 N -0.26 1.32 -3.21 0.00 5.75 -1.26 -4.89 116.55 114.01 2kua n ASP 3 Ca -0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.45 2kua n ASP 3 Cb 0.64 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 2kua n ASP 3 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2kua n SER 4 N -2.49 4.85 -0.00 -1.12 2.88 -1.26 -4.72 113.62 111.75 2kua n SER 4 Ca 0.00 -3.62 0.11 0.00 -1.33 0.00 0.00 58.87 54.03 2kua n SER 4 Cb 0.33 -0.71 -0.15 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.12 0.51 -4.04 -1.46 10.64 -1.26 -4.97 117.38 116.92 2kua n GLN 5 Ca 0.33 -0.15 -0.23 0.00 -1.83 0.00 0.00 57.00 55.12 2kua n GLN 5 Cb 0.37 -1.52 -0.06 0.00 -0.86 0.00 0.00 30.24 28.17 2kua n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2kua s ASP 6 N -4.21 4.74 0.53 2.61 1.11 -1.26 -5.14 116.67 115.05 2kua s ASP 6 Ca -0.04 -0.78 0.00 0.00 0.18 0.00 0.00 52.55 51.91 2kua s ASP 6 Cb 0.14 -0.71 0.00 0.00 1.07 0.00 0.00 42.92 43.42 2kua s ASP 6 CO 0.90 -0.36 0.00 -0.81 1.18 0.00 0.00 175.17 176.08 2kua n PRO 7 N -1.21 -0.08 0.06 8.23 -0.04 -1.26 -4.96 135.00 135.74 2kua n PRO 7 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2kua n PRO 7 Cb 0.61 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.02 2kua n PRO 7 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kua n LEU 8 N 0.00 0.68 0.00 1.53 4.32 -1.26 -3.85 117.00 118.42 2kua n LEU 8 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 2kua n LEU 8 Cb 0.00 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 2kua n LEU 8 CO 0.00 -0.07 0.17 1.57 -1.22 0.00 0.00 177.39 177.84 2kua n HIS 9 N -2.65 0.00 0.22 -1.77 -0.00 -1.26 -1.54 115.22 108.22 2kua n HIS 9 Ca -0.04 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.25 2kua n HIS 9 Cb 0.63 0.00 0.56 0.00 -0.12 0.00 0.00 29.99 31.06 2kua n HIS 9 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 2kua h GLU 10 N 0.00 0.00 -0.03 1.57 4.57 -1.98 0.31 114.58 119.01 2kua h GLU 10 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 2kua h GLU 10 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2kua h GLU 10 CO 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 179.01 177.15 2kua h ARG 11 N 0.00 0.15 0.03 1.92 -0.00 -1.63 -2.06 114.38 112.78 2kua h ARG 11 Ca 0.00 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.98 59.31 2kua h ARG 11 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.52 2kua h ARG 11 CO 0.00 0.77 -0.25 1.15 0.00 0.00 0.00 179.97 181.64 2kua h THR 12 N 0.10 1.68 -0.70 2.04 2.02 0.68 -2.79 112.91 115.94 2kua h THR 12 Ca -0.01 -2.38 0.01 0.00 0.77 0.00 0.00 66.41 64.80 2kua h THR 12 Cb 1.21 3.29 -0.04 0.00 -1.74 0.00 0.00 68.15 70.88 2kua h THR 12 CO 0.10 0.62 0.46 -0.09 0.37 0.00 0.00 175.52 176.98 2kua h ARG 13 N -0.86 0.91 -0.25 6.66 9.65 -1.60 -0.09 114.38 128.80 2kua h ARG 13 Ca -0.05 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 2kua h ARG 13 Cb 1.16 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 2kua h ARG 13 CO 0.02 0.60 0.05 0.07 2.80 0.00 0.00 179.97 183.52 2kua h ARG 14 N 0.94 0.40 0.22 0.20 -0.00 -1.50 0.09 114.38 114.72 2kua h ARG 14 Ca 0.26 -0.10 -0.01 0.00 -0.00 0.00 0.00 59.98 60.13 2kua h ARG 14 Cb -0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 29.82 2kua h ARG 14 CO -0.06 0.51 -0.10 1.25 -0.00 0.00 0.00 179.97 181.57 2kua h LEU 15 N 0.22 -0.24 0.16 0.08 5.85 -1.21 0.28 115.31 120.46 2kua h LEU 15 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kua h LEU 15 Cb 0.30 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2kua h LEU 15 CO 0.00 -0.16 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.76 2kua h LEU 16 N -0.31 -0.28 -1.48 2.25 4.07 -1.00 -2.41 115.31 116.15 2kua h LEU 16 Ca -0.03 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kua h LEU 16 Cb 0.24 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2kua h LEU 16 CO 0.05 -0.18 0.31 0.28 -1.08 0.00 0.00 178.44 177.82 2kua h SER 17 N -0.27 0.58 -1.00 -0.43 0.02 -0.90 -1.98 113.55 109.56 2kua h SER 17 Ca -0.01 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2kua h SER 17 Cb 0.23 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 2kua h SER 17 CO 0.01 0.43 0.64 -0.78 -1.14 0.00 0.00 176.83 175.99 2kua h ASP 18 N 0.67 1.03 -0.21 3.07 3.58 0.06 -1.97 116.42 122.66 2kua h ASP 18 Ca 0.18 0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.47 2kua h ASP 18 Cb -0.05 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 2kua h ASP 18 CO -0.04 0.66 -0.49 0.22 -2.88 0.00 0.00 179.24 176.71 2kua h TYR 19 N 1.17 0.97 -0.67 0.28 3.20 -1.06 -2.98 116.97 117.87 2kua h TYR 19 Ca 0.43 -0.32 0.14 0.00 3.14 0.00 0.00 58.73 62.11 2kua h TYR 19 Cb 0.17 -0.19 -0.10 0.00 1.54 0.00 0.00 36.73 38.15 2kua h TYR 19 CO -0.00 1.12 0.16 0.82 -1.64 0.00 0.00 178.16 178.62 2kua h ILE 20 N 0.62 0.59 -0.09 1.81 1.08 -1.02 0.26 117.51 120.74 2kua h ILE 20 Ca 0.03 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2kua h ILE 20 Cb 1.07 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 2kua h ILE 20 CO 0.11 0.05 -0.01 -0.26 -0.69 0.00 0.00 178.15 177.35 2kua h PHE 21 N 0.28 0.18 -0.89 1.37 -1.00 -1.50 -2.30 116.94 113.08 2kua h PHE 21 Ca 0.37 -0.03 0.07 0.00 2.81 0.00 0.00 57.97 61.18 2kua h PHE 21 Cb 0.58 -0.05 -0.06 0.00 3.61 0.00 0.00 35.95 40.04 2kua h PHE 21 CO -0.25 0.44 0.58 0.35 -1.61 0.00 0.00 178.31 177.81 2kua h PHE 22 N -0.13 1.01 -0.26 -0.55 3.04 -1.18 -1.11 116.94 117.76 2kua h PHE 22 Ca 0.02 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 2kua h PHE 22 Cb 0.37 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 2kua h PHE 22 CO 0.04 0.52 -0.26 0.00 -2.02 0.00 0.00 178.31 176.59 2kua n ALA 24 N -2.49 1.91 -0.83 0.00 0.00 -0.45 -4.86 120.51 113.78 2kua n ALA 24 Ca -0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 2kua n ALA 24 Cb 0.41 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 2kua n ALA 24 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kua n ARG 25 N -1.42 0.00 -1.34 0.00 -4.01 -0.81 -4.76 116.66 104.31 2kua n ARG 25 Ca 0.06 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.50 2kua n ARG 25 Cb 0.19 -0.93 0.05 0.00 -3.04 0.00 0.00 32.46 28.73 2kua n ARG 25 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kua n GLU 26 N 4.29 0.37 0.00 2.89 4.71 -1.25 -4.83 120.64 126.82 2kua n GLU 26 Ca 0.32 0.16 0.07 0.00 -0.01 0.00 0.00 57.16 57.69 2kua n GLU 26 Cb -0.03 -1.71 0.32 0.00 -1.01 0.00 0.00 31.44 29.02 2kua n GLU 26 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2kua n PRO 27 N -0.22 0.06 -0.10 3.49 -0.04 -1.26 -1.91 135.00 135.02 2kua n PRO 27 Ca 0.10 0.23 0.06 0.00 -0.04 0.00 0.00 63.50 63.84 2kua n PRO 27 Cb 0.49 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2kua n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kua n ASP 28 N -1.44 2.50 -3.81 3.54 2.03 -1.26 -4.98 116.55 113.14 2kua n ASP 28 Ca 0.04 -1.77 -0.13 0.00 0.52 0.00 0.00 54.79 53.46 2kua n ASP 28 Cb 0.15 -0.13 -0.12 0.00 -0.72 0.00 0.00 41.12 40.30 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kua s THR 29 N -0.97 -0.00 0.79 5.18 -1.32 -0.80 -5.08 115.64 113.44 2kua s THR 29 Ca 0.19 0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.57 2kua s THR 29 Cb 0.11 -0.26 0.07 0.00 -1.51 0.00 0.00 72.50 70.90 2kua s THR 29 CO 0.15 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.49 2kua s PRO 30 N 0.14 2.12 0.40 7.08 0.04 -1.26 -3.96 135.00 139.57 2kua s PRO 30 Ca -0.00 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 2kua s PRO 30 Cb -0.02 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 2kua s PRO 30 CO -0.00 -1.73 0.98 -1.21 0.04 0.00 0.00 177.00 175.08 2kua s GLU 31 N -4.91 4.26 1.01 4.56 8.01 -1.26 -4.85 118.70 125.52 2kua s GLU 31 Ca 0.61 1.28 -0.13 0.00 0.01 0.00 0.00 54.97 56.75 2kua s GLU 31 Cb -0.17 -2.40 0.20 0.00 -4.31 0.00 0.00 34.13 27.44 2kua s GLU 31 CO 0.56 -0.02 1.09 -1.25 0.01 0.00 0.00 175.26 175.66 2kua s PRO 32 N -2.75 0.30 1.02 0.39 0.04 -1.26 -5.04 135.00 127.70 2kua s PRO 32 Ca 0.59 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 2kua s PRO 32 Cb -0.15 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.86 2kua s PRO 32 CO 0.20 -2.81 1.09 -1.25 0.04 0.00 0.00 177.00 174.27 2kua s PRO 33 N -4.97 0.25 0.40 0.56 0.04 -1.26 -5.00 135.00 125.02 2kua s PRO 33 Ca 0.66 0.48 -0.25 0.00 0.04 0.00 0.00 61.00 61.92 2kua s PRO 33 Cb -0.19 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 2kua s PRO 33 CO 0.58 -2.84 1.19 -1.25 0.04 0.00 0.00 177.00 174.71 2kua s PRO 34 N -4.96 4.03 -0.11 0.56 0.04 -1.26 -5.00 135.00 128.30 2kua s PRO 34 Ca 0.66 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 2kua s PRO 34 Cb -0.19 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 2kua s PRO 34 CO 0.58 -0.35 0.11 1.15 0.04 0.00 0.00 177.00 178.53 2kua h THR 35 N 2.32 0.30 -4.32 1.26 2.02 -1.94 -3.49 112.91 109.06 2kua h THR 35 Ca -0.49 -1.23 -0.40 0.00 0.77 0.00 0.00 66.41 65.06 2kua h THR 35 Cb 1.24 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.13 2kua h THR 35 CO 0.62 0.10 -0.35 -0.24 0.37 0.00 0.00 175.52 176.02 2kua n SER 36 N -4.73 0.54 -0.07 4.18 2.88 -1.26 -5.01 113.62 110.15 2kua n SER 36 Ca -0.03 -2.64 -0.09 0.00 -1.33 0.00 0.00 58.87 54.78 2kua n SER 36 Cb 0.11 0.95 -0.02 0.00 -0.75 0.00 0.00 64.21 64.50 2kua n SER 36 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kua h VAL 37 N 1.62 1.03 -0.17 2.46 2.07 -1.93 -0.51 116.25 120.81 2kua h VAL 37 Ca -0.22 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2kua h VAL 37 Cb 0.91 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2kua h VAL 37 CO 0.33 0.06 -0.09 1.05 0.02 0.00 0.00 177.57 178.94 2kua h GLU 38 N 0.31 0.27 -0.17 1.57 4.11 -1.97 -2.31 114.58 116.38 2kua h GLU 38 Ca 0.10 -0.06 -0.16 0.00 0.07 0.00 0.00 59.36 59.31 2kua h GLU 38 Cb -0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2kua h GLU 38 CO -0.05 0.37 -0.57 0.00 0.07 0.00 0.00 179.01 178.83 2kua h ALA 39 N 1.65 0.68 -0.17 1.06 0.00 -1.74 -3.07 119.26 117.67 2kua h ALA 39 Ca 0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2kua h ALA 39 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kua h ALA 39 CO 0.02 0.70 -0.38 0.00 0.00 0.00 0.00 179.25 179.59 2kua h ALA 40 N 0.96 1.04 0.36 0.00 0.00 -0.63 -3.01 119.26 117.98 2kua h ALA 40 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2kua h ALA 40 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kua h ALA 40 CO 0.11 0.60 -0.17 1.25 0.00 0.00 0.00 179.25 181.03 2kua h LEU 41 N 0.32 -0.41 -0.59 0.00 7.12 -1.36 -2.91 115.31 117.48 2kua h LEU 41 Ca 0.03 -0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.10 2kua h LEU 41 Cb 0.81 0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.96 2kua h LEU 41 CO 0.06 -0.20 0.12 -0.07 -0.13 0.00 0.00 178.44 178.22 2kua h LEU 42 N -0.61 -0.02 -2.01 2.25 -0.00 -1.54 0.38 115.31 113.75 2kua h LEU 42 Ca -0.05 0.11 0.15 0.00 -0.00 0.00 0.00 57.88 58.09 2kua h LEU 42 Cb 0.45 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 2kua h LEU 42 CO 0.08 0.00 0.41 0.08 -0.00 0.00 0.00 178.44 179.01 2kua h ARG 43 N 0.24 0.00 0.08 1.13 -0.00 -1.42 3.79 114.38 118.21 2kua h ARG 43 Ca 0.31 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.99 2kua h ARG 43 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.41 2kua h ARG 43 CO -0.40 0.00 -1.62 1.03 -0.00 0.00 0.00 179.97 178.98 2kua h SER 44 N 0.00 0.25 0.00 0.08 0.87 -0.38 -3.32 113.55 111.04 2kua h SER 44 Ca 0.24 -0.76 -0.13 0.00 -1.23 0.00 0.00 61.79 59.91 2kua h SER 44 Cb 1.06 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2kua h SER 44 CO -0.00 1.68 -1.00 1.33 -0.53 0.00 0.00 176.83 178.30 2kua n VAL 45 N -3.93 1.48 -0.30 2.23 0.24 0.97 -4.20 118.33 114.82 2kua n VAL 45 Ca -0.31 0.07 0.21 0.00 -2.04 0.00 0.00 64.34 62.27 2kua n VAL 45 Cb 0.88 -2.21 0.50 0.00 -1.47 0.00 0.00 33.84 31.54 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 0.58 -0.21 3.34 1.03 0.70 0.45 112.91 117.80 2kua h THR 46 Ca -0.20 -0.15 0.02 0.00 -0.01 0.00 0.00 66.41 66.08 2kua h THR 46 Cb 0.95 0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.14 2kua h THR 46 CO -0.12 0.08 0.14 0.08 -0.01 0.00 0.00 175.52 175.69 2kua h ARG 47 N 0.42 0.19 0.09 0.00 -0.00 -1.38 -1.56 114.38 112.14 2kua h ARG 47 Ca 0.56 -0.01 -0.26 0.00 -0.00 0.00 0.00 59.98 60.27 2kua h ARG 47 Cb 1.37 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.29 2kua h ARG 47 CO -0.26 0.13 -1.20 -0.56 -0.00 0.00 0.00 179.97 178.07 2kua h GLN 48 N 0.20 0.19 -0.23 0.08 -0.00 -0.28 -2.66 115.11 112.41 2kua h GLN 48 Ca 0.09 -0.32 -0.06 0.00 -0.00 0.00 0.00 58.65 58.35 2kua h GLN 48 Cb 0.10 0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.69 2kua h GLN 48 CO -0.02 1.14 -0.11 0.82 -0.00 0.00 0.00 178.83 180.66 2kua h ILE 49 N 0.05 1.20 0.00 1.86 1.08 -0.80 -2.29 117.51 118.62 2kua h ILE 49 Ca -0.11 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 2kua h ILE 49 Cb 1.92 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 2kua h ILE 49 CO 0.18 0.29 -0.04 1.56 -0.69 0.00 0.00 178.15 179.45 2kua h GLN 50 N 0.36 0.00 0.00 2.37 4.20 -1.45 -0.72 115.11 119.86 2kua h GLN 50 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kua h GLN 50 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2kua h GLN 50 CO 0.02 0.00 0.57 -0.56 -0.67 0.00 0.00 178.83 178.20 2kua h GLN 51 N -0.87 0.00 0.03 1.46 3.07 -1.54 5.34 115.11 122.60 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 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.54 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 -2.74 0.66 -0.12 0.06 0.28 -0.86 -4.62 120.64 113.30 2kua n GLU 52 Ca -0.01 0.21 -0.21 0.00 -0.16 0.00 0.00 57.16 56.99 2kua n GLU 52 Cb 0.60 -1.57 -0.10 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 -0.29 -1.84 8.25 0.54 -4.41 115.22 113.96 2kua n HIS 53 Ca -0.43 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.32 2kua n HIS 53 Cb 0.97 -0.90 0.44 0.00 1.12 0.00 0.00 29.99 31.62 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 -3.61 0.01 -0.34 -0.41 -0.00 1.71 0.74 117.38 115.48 2kua n GLN 54 Ca -0.45 0.86 0.18 0.00 -0.00 0.00 0.00 57.00 57.59 2kua n GLN 54 Cb 0.90 -2.10 0.41 0.00 -0.00 0.00 0.00 30.24 29.45 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 0.54 0.07 2.61 5.08 -1.76 0.60 114.58 121.72 2kua h GLU 55 Ca 0.51 -0.03 -0.38 0.00 -1.00 0.00 0.00 59.36 58.46 2kua h GLU 55 Cb 2.63 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.72 2kua h GLU 55 CO -0.01 0.36 -2.20 1.19 -1.00 0.00 0.00 179.01 177.35 2kua n PHE 56 N -4.83 0.73 0.18 4.33 3.01 0.23 -3.72 117.46 117.39 2kua n PHE 56 Ca 0.26 0.16 -0.15 0.00 1.01 0.00 0.00 57.45 58.74 2kua n PHE 56 Cb 0.77 -1.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.06 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 0.03 -1.22 -0.76 1.38 0.04 -1.32 -1.51 116.94 113.57 2kua h PHE 57 Ca -0.49 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.36 2kua h PHE 57 Cb 1.97 0.50 -0.06 0.00 2.20 0.00 0.00 35.95 40.56 2kua h PHE 57 CO 0.06 -0.54 0.45 1.03 -0.60 0.00 0.00 178.31 178.71 2kua h SER 58 N -0.75 0.68 -0.96 2.17 0.87 -1.13 0.32 113.55 114.74 2kua h SER 58 Ca -0.03 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.73 2kua h SER 58 Cb 0.69 -0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.43 2kua h SER 58 CO -0.13 0.43 0.56 -1.28 -0.53 0.00 0.00 176.83 175.88 2kua h SER 59 N 0.81 0.71 0.32 6.23 0.87 -1.54 -1.67 113.55 119.28 2kua h SER 59 Ca 0.34 0.10 -0.33 0.00 -1.23 0.00 0.00 61.79 60.67 2kua h SER 59 Cb 0.20 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2kua h SER 59 CO -0.19 0.26 -1.63 0.15 -0.53 0.00 0.00 176.83 174.89 2kua h PHE 60 N 0.72 0.63 -0.99 2.24 3.04 -0.30 -3.35 116.94 118.94 2kua h PHE 60 Ca 0.55 -0.46 0.35 0.00 3.98 0.00 0.00 57.97 62.39 2kua h PHE 60 Cb 0.84 -0.03 -0.17 0.00 2.56 0.00 0.00 35.95 39.15 2kua h PHE 60 CO -0.03 1.53 0.41 0.00 -2.02 0.00 0.00 178.31 178.21 2kua n GLU 62 N -5.25 1.74 -0.05 0.00 0.28 -1.08 -3.11 120.64 113.17 2kua n GLU 62 Ca 0.32 -1.63 -0.06 0.00 -0.16 0.00 0.00 57.16 55.63 2kua n GLU 62 Cb 1.05 -1.64 -0.02 0.00 1.43 0.00 0.00 31.44 32.26 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 -0.16 1.65 -0.01 -1.84 2.88 0.56 -4.87 113.62 111.83 2kua n SER 63 Ca 0.32 0.27 0.01 0.00 -1.33 0.00 0.00 58.87 58.14 2kua n SER 63 Cb 0.94 -0.61 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 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 -4.13 1.16 -0.53 -1.46 5.12 -1.25 -5.02 116.66 110.56 2kua n ARG 64 Ca -0.10 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 2kua n ARG 64 Cb 0.36 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.53 2kua n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kua n GLY 65 N 2.36 0.72 1.26 -0.13 0.00 -1.18 -4.94 105.19 103.27 2kua n GLY 65 Ca -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 0.36 3.55 -0.33 1.61 3.02 -1.26 -4.57 115.26 117.64 2kua n ASN 66 Ca 0.00 -2.31 0.27 0.00 -0.03 0.00 0.00 54.58 52.51 2kua n ASN 66 Cb 0.00 -0.65 0.45 0.00 -0.61 0.00 0.00 39.78 38.97 2kua n ASN 66 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kua n ARG 67 N 0.39 -0.02 -0.03 3.52 1.74 -1.26 0.22 116.66 121.22 2kua n ARG 67 Ca 0.09 0.77 -0.13 0.00 -0.77 0.00 0.00 57.85 57.82 2kua n ARG 67 Cb 0.66 -1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kua h LEU 68 N 0.00 -0.03 -1.71 0.55 5.85 -1.96 -2.65 115.31 115.36 2kua h LEU 68 Ca 0.57 -0.69 0.22 0.00 0.84 0.00 0.00 57.88 58.82 2kua h LEU 68 Cb 1.93 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 2kua h LEU 68 CO -0.23 0.71 0.60 -0.33 -0.34 0.00 0.00 178.44 178.85 2kua h GLU 69 N -0.80 0.22 0.04 1.25 4.39 0.22 0.11 114.58 120.02 2kua h GLU 69 Ca -0.00 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 2kua h GLU 69 Cb 0.71 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2kua h GLU 69 CO 0.01 0.15 -1.07 -0.07 -1.16 0.00 0.00 179.01 176.86 2kua h LEU 70 N 0.23 0.72 -0.44 1.33 3.38 -1.33 -1.95 115.31 117.26 2kua h LEU 70 Ca 0.44 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2kua h LEU 70 Cb 1.37 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2kua h LEU 70 CO -0.11 1.42 0.27 1.62 0.09 0.00 0.00 178.44 181.73 2kua h VAL 71 N 0.28 1.06 -0.12 1.22 3.04 -0.42 -0.40 116.25 120.91 2kua h VAL 71 Ca -0.13 -0.18 -0.14 0.00 -1.01 0.00 0.00 66.70 65.24 2kua h VAL 71 Cb 1.73 0.48 0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2kua h VAL 71 CO 0.20 0.10 -0.47 0.07 -1.01 0.00 0.00 177.57 176.46 2kua h LYS 72 N 0.54 0.52 -0.33 4.17 2.10 -1.44 -2.94 116.57 119.20 2kua h LYS 72 Ca 0.17 -0.41 0.06 0.00 -2.00 0.00 0.00 60.65 58.47 2kua h LYS 72 Cb -0.01 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.35 2kua h LYS 72 CO -0.07 1.03 0.01 1.96 -2.00 0.00 0.00 179.45 180.38 2kua h GLN 73 N 0.13 0.10 0.36 0.07 7.50 -1.17 -2.13 115.11 119.97 2kua h GLN 73 Ca -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 2kua h GLN 73 Cb 1.11 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.60 2kua h GLN 73 CO 0.10 0.06 -0.29 0.52 -1.50 0.00 0.00 178.83 177.72 2kua h MET 74 N 0.10 -0.63 -0.14 1.46 2.86 -1.13 -1.04 114.93 116.41 2kua h MET 74 Ca 0.16 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 2kua h MET 74 Cb 0.21 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2kua h MET 74 CO -0.26 -0.42 0.45 0.00 1.06 0.00 0.00 176.91 177.73 2kua h ALA 75 N -0.12 1.64 0.00 6.32 0.00 -1.30 0.70 119.26 126.50 2kua h ALA 75 Ca -0.03 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2kua h ALA 75 Cb 0.58 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kua h ALA 75 CO -0.02 -0.52 -1.13 0.22 0.00 0.00 0.00 179.25 177.81 2kua h ASP 76 N 0.00 0.00 0.04 0.00 3.58 -0.54 -1.04 116.42 118.46 2kua h ASP 76 Ca 0.06 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 2kua h ASP 76 Cb 0.96 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.00 2kua h ASP 76 CO -0.00 0.87 -0.50 0.07 -2.88 0.00 0.00 179.24 176.80 2kua h LYS 77 N 0.00 0.08 0.00 0.28 2.10 0.91 -3.41 116.57 116.52 2kua h LYS 77 Ca -0.09 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.41 2kua h LYS 77 Cb 1.74 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 33.12 2kua h LYS 77 CO 0.10 1.06 -0.17 1.37 -2.00 0.00 0.00 179.45 179.81 2kua h LEU 78 N -0.82 0.00-10.20 7.07 -0.00 -1.24 -3.47 115.31 106.65 2kua h LEU 78 Ca -0.12 -0.30 -0.50 0.00 -0.00 0.00 0.00 57.88 56.96 2kua h LEU 78 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2kua h LEU 78 CO -0.01 0.75 -0.08 -0.76 -0.00 0.00 0.00 178.44 178.35 2kua s LEU 79 N -8.36 3.92 0.00 0.17 2.01 -0.39 -4.85 118.68 111.18 2kua s LEU 79 Ca -0.09 0.71 -0.11 0.00 0.01 0.00 0.00 54.13 54.65 2kua s LEU 79 Cb -0.00 -3.58 0.04 0.00 0.01 0.00 0.00 46.19 42.66 2kua s LEU 79 CO 0.26 -0.34 0.55 -0.24 1.01 0.00 0.00 176.35 177.59 2kua n SER 80 N -1.56 -1.21 -0.13 2.29 2.88 -1.25 -3.79 113.62 110.85 2kua n SER 80 Ca -0.02 -1.75 -0.18 0.00 -1.33 0.00 0.00 58.87 55.59 2kua n SER 80 Cb 0.55 2.00 -0.12 0.00 -0.75 0.00 0.00 64.21 65.89 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 -0.38 0.63 0.02 -1.46 2.85 -1.26 -4.49 118.16 114.06 2kua n LYS 81 Ca -0.03 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 2kua n LYS 81 Cb 0.35 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.25 2kua n LYS 81 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kua n ASP 82 N -3.32 0.63 -4.70 -5.58 8.00 -1.26 -4.88 116.55 105.44 2kua n ASP 82 Ca -0.45 -0.32 -0.40 0.00 0.71 0.00 0.00 54.79 54.32 2kua n ASP 82 Cb 0.97 0.82 -0.05 0.00 -0.02 0.00 0.00 41.12 42.84 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kua s GLN 83 N -3.16 4.37 -0.65 -1.24 1.11 -1.26 -4.95 119.66 113.88 2kua s GLN 83 Ca 0.05 0.87 -0.25 0.00 0.01 0.00 0.00 55.36 56.03 2kua s GLN 83 Cb 0.15 -3.50 -0.22 0.00 -1.01 0.00 0.00 33.01 28.44 2kua s GLN 83 CO 0.81 -0.08 1.85 -0.25 0.01 0.00 0.00 175.29 177.63 2kua n ASP 84 N 4.32 2.09 -3.93 5.90 9.92 -1.26 -4.53 116.55 129.06 2kua n ASP 84 Ca 0.00 -2.62 -0.26 0.00 -0.53 0.00 0.00 54.79 51.38 2kua n ASP 84 Cb 0.50 -1.10 0.14 0.00 -0.64 0.00 0.00 41.12 40.03 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2kua n PHE 85 N 10.09 -1.81 -4.02 1.24 -1.74 -1.26 -5.04 117.46 114.91 2kua n PHE 85 Ca 0.47 0.15 -0.10 0.00 -0.56 0.00 0.00 57.45 57.42 2kua n PHE 85 Cb 0.42 -1.45 -0.07 0.00 1.52 0.00 0.00 39.48 39.90 2kua n PHE 85 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2kua s SER 86 N -1.77 0.07 0.24 5.98 0.01 -1.26 -5.04 113.70 111.93 2kua s SER 86 Ca 0.43 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 2kua s SER 86 Cb -0.06 0.44 0.38 0.00 0.21 0.00 0.00 66.02 66.99 2kua s SER 86 CO 0.50 -0.91 1.83 -0.50 0.41 0.00 0.00 173.24 174.57 2kua h TRP 87 N 2.55 0.91 -0.82 2.43 -0.00 -2.00 -0.70 115.95 118.33 2kua h TRP 87 Ca -0.32 0.03 0.15 0.00 -0.00 0.00 0.00 58.89 58.75 2kua h TRP 87 Cb 1.23 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.16 30.05 2kua h TRP 87 CO 0.40 0.41 0.54 0.66 -0.00 0.00 0.00 178.44 180.44 2kua h SER 88 N 0.86 0.48 -0.01 -3.49 4.64 -2.00 -1.74 113.55 112.29 2kua h SER 88 Ca 0.39 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.67 2kua h SER 88 Cb 0.30 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2kua h SER 88 CO -0.22 0.24 -0.27 1.56 -0.87 0.00 0.00 176.83 177.27 2kua h GLN 89 N 0.51 0.21 -0.34 4.77 1.08 -1.55 -2.48 115.11 117.31 2kua h GLN 89 Ca 0.41 -0.20 0.07 0.00 -1.45 0.00 0.00 58.65 57.48 2kua h GLN 89 Cb 0.84 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 28.24 2kua h GLN 89 CO -0.15 0.91 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.24 2kua h LEU 90 N -0.42 -1.06 -1.30 1.46 3.38 -0.67 0.65 115.31 117.35 2kua h LEU 90 Ca -0.03 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2kua h LEU 90 Cb 1.00 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2kua h LEU 90 CO 0.05 -0.33 -0.22 -0.37 0.09 0.00 0.00 178.44 177.67 2kua h VAL 91 N -0.28 1.21 -0.43 1.22 -1.51 -1.50 -2.87 116.25 112.09 2kua h VAL 91 Ca 0.15 -0.98 -0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2kua h VAL 91 Cb 0.54 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 2kua h VAL 91 CO -0.50 0.30 0.26 -0.03 -1.23 0.00 0.00 177.57 176.37 2kua h MET 92 N 0.18 0.59 -0.64 5.19 -1.53 -0.46 -2.26 114.93 116.01 2kua h MET 92 Ca 0.03 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 2kua h MET 92 Cb 0.49 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 2kua h MET 92 CO 0.03 0.43 0.38 1.25 0.14 0.00 0.00 176.91 179.14 2kua h LEU 93 N 0.57 0.77 -0.29 3.39 5.85 -0.88 -2.46 115.31 122.27 2kua h LEU 93 Ca 0.16 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2kua h LEU 93 Cb -0.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2kua h LEU 93 CO -0.03 0.61 0.06 -0.07 -0.34 0.00 0.00 178.44 178.68 2kua h LEU 94 N 0.87 0.02 -0.38 2.25 4.07 -1.36 -1.48 115.31 119.30 2kua h LEU 94 Ca 0.23 0.05 0.05 0.00 0.08 0.00 0.00 57.88 58.28 2kua h LEU 94 Cb -0.01 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.74 2kua h LEU 94 CO -0.04 0.05 0.11 0.00 -1.08 0.00 0.00 178.44 177.47 2kua h ALA 95 N 1.21 0.43 0.69 1.53 0.00 -1.16 -2.90 119.26 119.06 2kua h ALA 95 Ca 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2kua h ALA 95 Cb 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kua h ALA 95 CO -0.18 -0.29 -0.50 0.35 0.00 0.00 0.00 179.25 178.63 2kua h PHE 96 N 0.25 -1.36 -0.82 0.00 3.57 -1.01 -1.56 116.94 116.01 2kua h PHE 96 Ca 0.18 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.76 2kua h PHE 96 Cb 0.18 0.50 -0.11 0.00 2.79 0.00 0.00 35.95 39.31 2kua h PHE 96 CO -0.17 -0.72 -0.44 0.00 -2.23 0.00 0.00 178.31 174.76 2kua n ALA 97 N -2.77 -0.40 0.26 2.41 0.00 -0.60 0.24 120.51 119.65 2kua n ALA 97 Ca -0.14 0.73 0.11 0.00 0.00 0.00 0.00 53.44 54.14 2kua n ALA 97 Cb 0.49 -0.19 0.70 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.39 -1.80 103.07 101.89 2kua h GLY 98 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 2kua h GLY 98 CO -0.78 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 175.37 2kua h THR 99 N 0.00 1.06 0.00 4.70 1.03 0.41 -3.27 112.91 116.84 2kua h THR 99 Ca -0.00 -1.43 -0.05 0.00 -0.01 0.00 0.00 66.41 64.92 2kua h THR 99 Cb 0.25 1.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.15 2kua h THR 99 CO 0.01 0.38 -0.32 -0.07 -0.01 0.00 0.00 175.52 175.52 2kua h LEU 100 N 0.00 0.00 -5.40 0.00 3.38 -0.31 -3.42 115.31 109.56 2kua h LEU 100 Ca -0.00 -0.62 -0.49 0.00 0.09 0.00 0.00 57.88 56.86 2kua h LEU 100 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2kua h LEU 100 CO 0.05 0.99 0.95 0.23 0.09 0.00 0.00 178.44 180.75 2kua n MET 101 N -4.61 0.00 -2.62 1.13 2.81 -0.93 -4.87 117.12 108.03 2kua n MET 101 Ca -0.13 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.49 2kua n MET 101 Cb 0.41 -1.01 0.01 0.00 -0.71 0.00 0.00 33.22 31.92 2kua n MET 101 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kua s ASN 102 N 4.43 6.10 -0.07 7.83 6.03 -1.26 -4.73 114.94 133.27 2kua s ASN 102 Ca 0.83 0.84 -0.04 0.00 -1.03 0.00 0.00 52.86 53.46 2kua s ASN 102 Cb -0.98 -2.09 0.04 0.00 -3.03 0.00 0.00 41.25 35.18 2kua s ASN 102 CO 0.42 -0.68 0.17 -1.10 -2.03 0.00 0.00 177.10 173.89 2kua s GLN 103 N -4.77 0.13 -0.30 3.55 -1.52 -1.26 -4.64 119.66 110.85 2kua s GLN 103 Ca 0.49 0.39 0.18 0.00 -1.95 0.00 0.00 55.36 54.46 2kua s GLN 103 Cb -0.10 -0.13 0.46 0.00 -0.22 0.00 0.00 33.01 33.02 2kua s GLN 103 CO 0.44 -0.14 1.28 0.41 -0.25 0.00 0.00 175.29 177.03 2kua n GLY 104 N 4.04 1.85 0.00 3.09 0.00 -1.26 -5.07 105.19 107.83 2kua n GLY 104 Ca -0.24 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.93 0.42 0.00 1.61 -0.04 -1.26 -4.96 135.00 129.84 2kua n PRO 105 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2kua n PRO 105 Cb 0.83 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.29 2kua n PRO 105 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2kua n TYR 106 N -1.08 0.00 -1.03 0.54 4.11 -1.26 -5.02 117.16 113.42 2kua n TYR 106 Ca 0.00 -0.27 -0.20 0.00 -0.00 0.00 0.00 57.90 57.43 2kua n TYR 106 Cb 0.00 -0.03 -0.14 0.00 -0.00 0.00 0.00 39.34 39.17 2kua n TYR 106 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.86 176.74 2kua n MET 107 N -0.27 0.00 0.00 -3.48 1.56 -1.26 -4.83 117.12 108.83 2kua n MET 107 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kua n MET 107 Cb 0.15 -0.80 0.00 0.00 2.15 0.00 0.00 33.22 34.72 2kua n MET 107 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kua n ALA 108 N 4.95 0.00 -1.00 -5.12 0.00 -1.26 -4.89 120.51 113.19 2kua n ALA 108 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2kua n ALA 108 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.89 0.00 3.14 -1.26 -4.63 118.33 111.70 2kua n VAL 109 Ca 0.00 0.69 -0.29 0.00 -2.96 0.00 0.00 64.34 61.79 2kua n VAL 109 Cb 0.00 -1.58 -0.13 0.00 -1.06 0.00 0.00 33.84 31.07 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 -0.50 2.18 0.65 1.45 1.02 -1.26 -5.10 119.74 118.18 2kua s LYS 110 Ca 0.00 -2.99 -0.11 0.00 0.02 0.00 0.00 55.97 52.89 2kua s LYS 110 Cb 0.00 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2kua s LYS 110 CO 0.00 -1.22 1.05 -0.65 -0.92 0.00 0.00 175.35 173.60 2kua s GLN 111 N -0.92 3.35 0.00 1.68 1.11 -1.26 -4.92 119.66 118.70 2kua s GLN 111 Ca 0.22 0.73 0.11 0.00 0.01 0.00 0.00 55.36 56.43 2kua s GLN 111 Cb -0.12 -2.05 0.52 0.00 -1.01 0.00 0.00 33.01 30.34 2kua s GLN 111 CO -0.10 -0.74 1.28 1.63 0.01 0.00 0.00 175.29 177.36 2kua n LYS 112 N -2.86 0.10 -4.49 2.91 4.76 -1.26 -4.64 118.16 112.69 2kua n LYS 112 Ca 0.06 0.23 -0.26 0.00 -2.87 0.00 0.00 58.31 55.47 2kua n LYS 112 Cb 0.54 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.10 2kua n LYS 112 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kua s ARG 113 N -2.71 1.31 -0.26 1.97 6.06 -1.26 -5.06 118.95 119.00 2kua s ARG 113 Ca 0.09 -1.09 -0.15 0.00 -2.50 0.00 0.00 55.73 52.07 2kua s ARG 113 Cb 0.07 -1.54 -0.12 0.00 0.06 0.00 0.00 34.95 33.42 2kua s ARG 113 CO 0.18 0.38 -0.29 -0.25 -2.50 0.00 0.00 175.30 172.81 2kua n ASP 114 N 1.42 1.94 0.00 -2.12 8.00 -1.26 -4.31 116.55 120.22 2kua n ASP 114 Ca -0.18 0.35 0.08 0.00 0.71 0.00 0.00 54.79 55.75 2kua n ASP 114 Cb 0.53 -0.83 0.45 0.00 -0.02 0.00 0.00 41.12 41.25 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kua n LEU 115 N -4.29 0.00 -3.16 0.64 -0.00 -1.26 -4.86 117.00 104.07 2kua n LEU 115 Ca -0.48 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.12 2kua n LEU 115 Cb 0.83 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.15 2kua n LEU 115 CO 0.06 0.00 1.35 0.61 -0.00 0.00 0.00 177.39 179.42 2kua n GLY 116 N 0.26 -0.17 3.58 1.47 0.00 -1.26 -4.87 105.19 104.20 2kua n GLY 116 Ca 0.11 0.83 -0.06 0.00 0.00 0.00 0.00 46.02 46.91 2kua n GLY 116 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kua s ASN 117 N 4.92 -0.92 1.02 1.61 -0.87 -1.26 -4.74 114.94 114.70 2kua s ASN 117 Ca 0.91 1.44 -0.19 0.00 -1.57 0.00 0.00 52.86 53.44 2kua s ASN 117 Cb -1.06 1.62 -0.06 0.00 -0.02 0.00 0.00 41.25 41.74 2kua s ASN 117 CO 0.45 -0.23 -0.53 -1.14 -2.57 0.00 0.00 177.10 173.09 2kua n ARG 118 N 4.75 -0.47 0.04 -0.60 3.00 -1.26 -4.83 116.66 117.29 2kua n ARG 118 Ca -0.17 -0.12 0.12 0.00 -0.00 0.00 0.00 57.85 57.67 2kua n ARG 118 Cb 0.55 -1.37 0.47 0.00 0.00 0.00 0.00 32.46 32.11 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2kua n VAL 119 N -3.50 0.51 0.04 5.15 0.31 -1.26 -3.32 118.33 116.26 2kua n VAL 119 Ca 0.01 0.04 0.19 0.00 -0.01 0.00 0.00 64.34 64.57 2kua n VAL 119 Cb 0.62 -0.75 0.70 0.00 -0.91 0.00 0.00 33.84 33.51 2kua n VAL 119 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2kua h ILE 120 N 0.00 0.71 -0.07 2.52 -2.65 -1.93 0.10 117.51 116.19 2kua h ILE 120 Ca 0.00 0.00 -0.05 0.00 1.03 0.00 0.00 64.86 65.84 2kua h ILE 120 Cb 0.46 0.76 0.00 0.00 -2.05 0.00 0.00 36.82 35.99 2kua h ILE 120 CO 0.00 0.00 -0.14 1.62 0.03 0.00 0.00 178.15 179.66 2kua h VAL 121 N 0.00 1.41 -0.33 0.16 3.04 -1.81 -1.27 116.25 117.44 2kua h VAL 121 Ca 0.22 -1.43 -0.09 0.00 -1.01 0.00 0.00 66.70 64.38 2kua h VAL 121 Cb 0.91 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 2kua h VAL 121 CO -0.00 0.40 -0.15 0.00 -1.01 0.00 0.00 177.57 176.81 2kua h THR 122 N -0.25 1.29 0.05 3.17 1.03 -1.49 0.47 112.91 117.18 2kua h THR 122 Ca 0.00 -1.25 -0.00 0.00 -0.01 0.00 0.00 66.41 65.15 2kua h THR 122 Cb 0.72 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.20 2kua h THR 122 CO 0.03 0.41 -0.03 0.08 -0.01 0.00 0.00 175.52 176.00 2kua h ARG 123 N 0.46 -0.07 0.00 0.00 0.11 -0.92 -1.32 114.38 112.65 2kua h ARG 123 Ca 0.08 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.09 2kua h ARG 123 Cb 0.68 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 2kua h ARG 123 CO 0.05 0.11 -0.34 -0.44 0.10 0.00 0.00 179.97 179.45 2kua h ASP 124 N -0.23 0.00 0.16 0.08 3.32 -1.25 -2.92 116.42 115.57 2kua h ASP 124 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kua h ASP 124 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2kua h ASP 124 CO 0.01 0.34 -0.07 0.00 -1.72 0.00 0.00 179.24 177.80 2kua h LEU 127 N 0.90 -0.12 -0.19 0.00 -0.00 -1.49 -0.83 115.31 113.58 2kua h LEU 127 Ca 0.23 -0.38 -0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2kua h LEU 127 Cb 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2kua h LEU 127 CO -0.04 0.51 0.12 -0.29 -0.00 0.00 0.00 178.44 178.74 2kua h ILE 128 N -0.94 1.07 -0.12 1.22 2.10 0.19 -2.33 117.51 118.70 2kua h ILE 128 Ca -0.01 -0.17 -0.09 0.00 1.08 0.00 0.00 64.86 65.66 2kua h ILE 128 Cb 0.49 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 2kua h ILE 128 CO 0.02 0.07 -0.33 0.58 -1.08 0.00 0.00 178.15 177.41 2kua h VAL 129 N 0.24 1.27 -0.20 2.19 2.07 0.05 -2.69 116.25 119.17 2kua h VAL 129 Ca 0.07 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2kua h VAL 129 Cb 0.01 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2kua h VAL 129 CO -0.01 0.40 0.13 -1.13 0.02 0.00 0.00 177.57 176.97 2kua h ASN 130 N 0.20 0.22 0.39 0.57 -1.24 -0.73 0.65 115.58 115.66 2kua h ASN 130 Ca 0.03 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 2kua h ASN 130 Cb 0.69 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2kua h ASN 130 CO 0.05 0.16 -0.19 0.15 -1.29 0.00 0.00 177.43 176.32 2kua h PHE 131 N 0.27 -0.49 0.51 0.67 3.57 -1.34 -2.17 116.94 117.96 2kua h PHE 131 Ca 0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kua h PHE 131 Cb -0.03 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2kua h PHE 131 CO -0.07 -0.20 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.49 2kua h LEU 132 N -0.74 -0.61 -0.74 0.59 4.07 -1.43 0.20 115.31 116.64 2kua h LEU 132 Ca -0.05 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.09 2kua h LEU 132 Cb 0.51 0.16 -0.14 0.00 1.08 0.00 0.00 40.66 42.28 2kua h LEU 132 CO 0.09 -0.43 -0.12 0.22 -1.08 0.00 0.00 178.44 177.12 2kua h TYR 133 N -0.70 -0.28 0.00 1.13 3.20 0.26 0.56 116.97 121.14 2kua h TYR 133 Ca -0.07 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2kua h TYR 133 Cb 0.54 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2kua h TYR 133 CO -0.05 -0.30 -0.47 -0.91 -1.64 0.00 0.00 178.16 174.80 2kua h ASN 134 N 0.03 0.00 0.19 -2.11 2.35 -1.19 0.11 115.58 114.96 2kua h ASN 134 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2kua h ASN 134 Cb 0.61 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2kua h ASN 134 CO -0.73 0.47 -0.20 0.25 -1.65 0.00 0.00 177.43 175.57 2kua h LEU 135 N 0.00 -0.53 0.00 1.61 7.12 0.33 -1.86 115.31 121.98 2kua h LEU 135 Ca -0.00 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2kua h LEU 135 Cb 0.97 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 2kua h LEU 135 CO 0.06 -0.29 -0.79 0.17 -0.13 0.00 0.00 178.44 177.46 2kua h LEU 136 N -0.42 0.00 -2.80 2.25 -0.00 -1.39 -3.31 115.31 109.63 2kua h LEU 136 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.88 57.72 2kua h LEU 136 Cb 0.40 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.98 2kua h LEU 136 CO -0.05 0.02 0.17 0.80 -0.00 0.00 0.00 178.44 179.37 2kua n MET 137 N -2.66 2.62 -1.86 0.17 1.56 0.37 -2.04 117.12 115.28 2kua n MET 137 Ca 0.01 -1.82 -0.29 0.00 -0.27 0.00 0.00 57.70 55.33 2kua n MET 137 Cb 0.53 -1.84 0.09 0.00 2.15 0.00 0.00 33.22 34.15 2kua n MET 137 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2kua s GLY 138 N -0.41 1.59 0.08 -5.12 0.00 -0.72 -4.68 107.32 98.06 2kua s GLY 138 Ca 0.33 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 2kua s GLY 138 CO 0.08 -0.11 1.66 3.21 0.00 0.00 0.00 173.10 177.94 2kua h ARG 139 N -1.04 -0.52 0.18 2.90 2.47 -1.92 0.67 114.38 117.12 2kua h ARG 139 Ca -0.46 0.04 -0.31 0.00 -1.26 0.00 0.00 59.98 57.98 2kua h ARG 139 Cb 1.32 0.12 0.03 0.00 -1.65 0.00 0.00 29.97 29.78 2kua h ARG 139 CO 0.65 -0.34 -1.35 0.07 0.56 0.00 0.00 179.97 179.57 2kua h ARG 140 N -0.55 0.50 0.42 0.04 0.11 -1.95 -2.77 114.38 110.17 2kua h ARG 140 Ca -0.06 -0.78 -0.02 0.00 0.10 0.00 0.00 59.98 59.22 2kua h ARG 140 Cb 0.42 0.28 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2kua h ARG 140 CO 0.09 1.36 -0.20 1.25 0.10 0.00 0.00 179.97 182.57 2kua h HIS 141 N 0.17 -0.52 -0.87 4.08 2.76 -1.84 -2.60 115.15 116.32 2kua h HIS 141 Ca -0.20 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.01 2kua h HIS 141 Cb 2.04 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 31.11 2kua h HIS 141 CO 0.11 -0.20 0.55 -0.09 -1.30 0.00 0.00 177.93 177.00 2kua h ARG 142 N -0.84 1.00 -0.76 5.26 1.12 0.97 0.16 114.38 121.28 2kua h ARG 142 Ca -0.06 -0.06 0.09 0.00 -1.11 0.00 0.00 59.98 58.84 2kua h ARG 142 Cb 0.55 -0.22 -0.07 0.00 -0.01 0.00 0.00 29.97 30.22 2kua h ARG 142 CO 0.09 0.66 0.42 0.00 -3.11 0.00 0.00 179.97 178.03 2kua h ALA 143 N 1.40 1.06 0.01 2.80 0.00 -1.46 -2.33 119.26 120.74 2kua h ALA 143 Ca 0.37 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 2kua h ALA 143 Cb 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kua h ALA 143 CO -0.16 0.04 -0.43 0.00 0.00 0.00 0.00 179.25 178.71 2kua h ARG 144 N 0.71 0.27 -0.90 0.00 3.08 -0.96 -2.23 114.38 114.35 2kua h ARG 144 Ca 0.37 -0.31 0.24 0.00 0.07 0.00 0.00 59.98 60.35 2kua h ARG 144 Cb 0.33 0.09 -0.16 0.00 0.08 0.00 0.00 29.97 30.32 2kua h ARG 144 CO -0.24 1.03 0.13 1.25 -1.07 0.00 0.00 179.97 181.06 2kua h LEU 145 N -0.36 -0.23 0.01 3.04 7.12 -0.40 0.48 115.31 124.97 2kua h LEU 145 Ca -0.06 0.23 -0.22 0.00 0.13 0.00 0.00 57.88 57.96 2kua h LEU 145 Cb 1.19 0.36 -0.03 0.00 -0.53 0.00 0.00 40.66 41.65 2kua h LEU 145 CO 0.08 -0.24 -1.10 1.05 -0.13 0.00 0.00 178.44 178.10 2kua h GLU 146 N 0.11 0.01 0.00 1.25 4.11 -1.51 -1.44 114.58 117.12 2kua h GLU 146 Ca 0.55 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.97 2kua h GLU 146 Cb 1.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2kua h GLU 146 CO -0.76 0.95 0.00 0.00 0.07 0.00 0.00 179.01 179.27 2kua h ALA 147 N 0.98 1.00 -0.43 1.06 0.00 0.57 0.29 119.26 122.74 2kua h ALA 147 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2kua h ALA 147 Cb 1.81 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 2kua h ALA 147 CO 0.13 0.00 0.05 1.47 0.00 0.00 0.00 179.25 180.89 2kua n LEU 148 N -2.40 4.50 0.00 0.00 -0.00 -0.70 -4.87 117.00 113.53 2kua n LEU 148 Ca -0.02 -3.55 0.00 0.00 -0.00 0.00 0.00 56.01 52.44 2kua n LEU 148 Cb 0.04 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 2kua n LEU 148 CO 0.11 1.07 0.00 0.61 -0.00 0.00 0.00 177.39 179.19 2kua n GLY 149 N -0.93 0.68 6.42 1.47 0.00 0.05 -4.57 105.19 108.31 2kua n GLY 149 Ca 0.34 0.00 0.01 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 -2.05 -0.47 0.36 -0.02 0.00 -0.54 -0.92 105.19 101.55 2kua n GLY 150 Ca 0.00 -0.46 0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.04 0.95 -0.14 1.61 5.03 -1.26 0.97 117.44 123.54 2kua n TRP 151 Ca 0.00 0.96 -0.03 0.00 3.03 0.00 0.00 57.50 61.45 2kua n TRP 151 Cb 0.03 -1.37 0.05 0.00 -1.03 0.00 0.00 31.31 28.98 2kua n TRP 151 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 2kua h ASP 152 N 0.00 -0.19 -0.69 -0.99 5.19 -1.90 -1.68 116.42 116.16 2kua h ASP 152 Ca 0.83 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 57.28 2kua h ASP 152 Cb 2.37 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 42.05 2kua h ASP 152 CO -0.62 -0.06 0.17 1.23 -3.12 0.00 0.00 179.24 176.83 2kua h GLY 153 N 0.11 1.20 -0.25 2.75 0.00 0.25 -2.99 103.07 104.15 2kua h GLY 153 Ca 0.23 -0.75 0.03 0.00 0.00 0.00 0.00 47.33 46.85 2kua h GLY 153 CO -0.38 0.69 -0.45 -2.75 0.00 0.00 0.00 176.54 173.65 2kua h PHE 154 N 1.06 -1.37 -0.56 5.60 3.57 -1.05 0.53 116.94 124.71 2kua h PHE 154 Ca 0.22 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.89 2kua h PHE 154 Cb 0.37 0.63 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 2kua h PHE 154 CO 0.03 -0.42 0.38 0.00 -2.23 0.00 0.00 178.31 176.07 2kua h ARG 156 N 0.27 0.00 0.10 0.00 9.65 -0.61 1.79 114.38 125.58 2kua h ARG 156 Ca 0.26 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.85 2kua h ARG 156 Cb 0.67 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.28 2kua h ARG 156 CO -0.06 0.47 -1.23 0.35 2.80 0.00 0.00 179.97 182.31 2kua h PHE 157 N 0.00 1.03 0.00 2.20 3.04 0.27 -3.32 116.94 120.16 2kua h PHE 157 Ca -0.00 -0.64 0.00 0.00 3.98 0.00 0.00 57.97 61.31 2kua h PHE 157 Cb 1.03 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.45 2kua h PHE 157 CO 0.00 1.47 -1.64 1.19 -2.02 0.00 0.00 178.31 177.31 2kua n PHE 158 N -3.80 0.35 -2.51 0.41 3.01 -0.64 -5.05 117.46 109.24 2kua n PHE 158 Ca -0.13 0.10 -0.04 0.00 1.01 0.00 0.00 57.45 58.39 2kua n PHE 158 Cb 0.98 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 -2.41 -2.22 -1.54 -1.08 4.76 0.61 -4.90 118.16 111.38 2kua n LYS 159 Ca -0.03 1.99 -0.43 0.00 -2.87 0.00 0.00 58.31 56.97 2kua n LYS 159 Cb 0.56 -4.62 -0.00 0.00 -1.84 0.00 0.00 35.03 29.13 2kua n LYS 159 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2kua n ASN 160 N 0.03 0.43 -0.06 4.39 5.15 -1.04 -4.91 115.26 119.25 2kua n ASN 160 Ca 0.05 1.06 -0.13 0.00 -0.60 0.00 0.00 54.58 54.96 2kua n ASN 160 Cb 0.21 -1.23 -0.06 0.00 -0.53 0.00 0.00 39.78 38.17 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 1.43 0.43 -6.97 1.20 0.13 -1.90 -3.45 132.00 122.88 2kua h PRO 161 Ca -0.40 -0.23 -0.53 0.00 -0.87 0.00 0.00 66.00 63.97 2kua h PRO 161 Cb 1.37 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.59 2kua h PRO 161 CO 0.57 0.79 0.62 -0.51 -0.23 0.00 0.00 178.00 179.23 2kua s LEU 162 N -9.08 4.14 0.27 1.56 2.01 -1.26 -4.93 118.68 111.39 2kua s LEU 162 Ca -0.14 2.68 0.05 0.00 0.01 0.00 0.00 54.13 56.73 2kua s LEU 162 Cb 0.06 -3.97 0.37 0.00 0.01 0.00 0.00 46.19 42.65 2kua s LEU 162 CO 0.77 -0.98 1.65 1.55 1.01 0.00 0.00 176.35 180.35 2kua h PRO 163 N 2.45 0.30 -6.61 1.29 0.13 -2.03 -3.45 132.00 124.08 2kua h PRO 163 Ca -0.50 -0.16 -0.58 0.00 -0.87 0.00 0.00 66.00 63.89 2kua h PRO 163 Cb 1.25 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.53 2kua h PRO 163 CO 0.62 0.70 -0.01 1.47 -0.23 0.00 0.00 178.00 180.55 2kua n LEU 164 N -3.99 2.17 0.00 1.56 -0.00 -1.26 -5.17 117.00 110.30 2kua n LEU 164 Ca -0.02 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.92 2kua n LEU 164 Cb 0.51 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 2kua n LEU 164 CO 0.43 -1.98 0.13 0.61 -0.00 0.00 0.00 177.39 176.57