#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 0.00 -3.55 1.61 -0.04 -1.26 -4.86 135.00 126.91 2kua n PRO -4 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2kua n PRO -4 Cb 0.00 -0.23 -0.01 0.00 -0.04 0.00 0.00 33.50 33.22 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 0.00 -1.50 -3.99 1.53 -0.00 -1.26 -4.92 117.00 106.85 2kua n LEU -3 Ca 0.00 -0.51 -0.08 0.00 -0.00 0.00 0.00 56.01 55.42 2kua n LEU -3 Cb 0.00 -2.06 -0.09 0.00 -0.00 0.00 0.00 43.42 41.28 2kua n LEU -3 CO 0.00 0.18 -0.21 -0.83 -0.00 0.00 0.00 177.39 176.52 2kua s GLY -2 N -2.83 0.38 -0.91 -3.96 0.00 -1.26 -5.09 107.32 93.65 2kua s GLY -2 Ca 0.47 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 2kua s GLY -2 CO 0.58 -1.07 1.00 -1.26 0.00 0.00 0.00 173.10 172.35 2kua n SER 0 N -0.01 4.85 -0.01 1.64 2.88 -1.26 -4.79 113.62 116.92 2kua n SER 0 Ca -0.13 -3.28 -0.19 0.00 -1.33 0.00 0.00 58.87 53.94 2kua n SER 0 Cb 0.62 -1.05 -0.14 0.00 -0.75 0.00 0.00 64.21 62.89 2kua n SER 0 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2kua n MET 1 N 1.72 0.74 -4.30 -1.46 0.00 -1.26 -4.94 117.12 107.62 2kua n MET 1 Ca 0.25 0.26 -0.29 0.00 0.00 0.00 0.00 57.70 57.92 2kua n MET 1 Cb 0.37 -1.71 -0.11 0.00 0.00 0.00 0.00 33.22 31.77 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 -2.56 2.74 0.00 3.17 0.00 -1.26 -5.02 121.76 118.82 2kua s ALA 2 Ca -0.21 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2kua s ALA 2 Cb 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2kua s ALA 2 CO 0.77 0.57 0.60 -0.25 0.00 0.00 0.00 175.76 177.45 2kua n ASP 3 N 0.63 1.12 -2.76 0.00 8.00 -1.26 -4.77 116.55 117.51 2kua n ASP 3 Ca -0.14 -1.33 -0.33 0.00 0.71 0.00 0.00 54.79 53.70 2kua n ASP 3 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 2kua n ASP 3 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kua n SER 4 N -0.16 5.88 -0.34 -2.24 2.88 -1.26 -4.81 113.62 113.56 2kua n SER 4 Ca 0.00 -3.76 0.11 0.00 -1.33 0.00 0.00 58.87 53.89 2kua n SER 4 Cb 0.15 -0.74 0.29 0.00 -0.75 0.00 0.00 64.21 63.17 2kua n SER 4 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kua h GLN 5 N 2.88 0.75 -6.23 -1.46 1.08 -2.03 -3.40 115.11 106.71 2kua h GLN 5 Ca 0.40 -0.05 -0.68 0.00 -1.45 0.00 0.00 58.65 56.87 2kua h GLN 5 Cb 0.52 -0.17 -0.17 0.00 -0.05 0.00 0.00 27.48 27.61 2kua h GLN 5 CO 1.08 0.50 -0.69 -0.51 -0.95 0.00 0.00 178.83 178.26 2kua s ASP 6 N -5.47 4.70 0.00 1.46 1.11 -1.26 -5.00 116.67 112.22 2kua s ASP 6 Ca -0.12 -0.09 0.14 0.00 0.18 0.00 0.00 52.55 52.66 2kua s ASP 6 Cb 0.24 -1.14 0.63 0.00 1.07 0.00 0.00 42.92 43.72 2kua s ASP 6 CO 0.80 0.30 1.44 -0.81 1.18 0.00 0.00 175.17 178.08 2kua n PRO 7 N 1.71 0.04 -0.18 8.23 -0.04 -1.26 -1.99 135.00 141.52 2kua n PRO 7 Ca -0.16 0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2kua n PRO 7 Cb 0.53 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.45 2.86 0.11 1.53 7.94 -1.26 -4.51 117.00 122.22 2kua n LEU 8 Ca 0.04 -2.19 -0.12 0.00 -1.11 0.00 0.00 56.01 52.63 2kua n LEU 8 Cb 0.15 -0.24 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 2kua n LEU 8 CO 0.13 0.68 0.48 1.12 -1.11 0.00 0.00 177.39 178.68 2kua h HIS 9 N 1.51 -0.29 0.00 1.96 2.07 -1.78 -2.57 115.15 116.05 2kua h HIS 9 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2kua h HIS 9 Cb 0.80 0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.88 2kua h HIS 9 CO 0.21 0.08 -0.14 -0.85 -3.07 0.00 0.00 177.93 174.17 2kua n GLU 10 N -5.03 0.13 -0.03 5.12 0.28 -1.26 -2.62 120.64 117.23 2kua n GLU 10 Ca -0.09 0.09 -0.13 0.00 -0.16 0.00 0.00 57.16 56.88 2kua n GLU 10 Cb 0.26 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.39 2kua n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kua h ARG 11 N 0.00 -0.03 -0.06 3.44 3.08 -1.78 -2.40 114.38 116.62 2kua h ARG 11 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 2kua h ARG 11 Cb 0.62 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.69 2kua h ARG 11 CO 0.00 0.65 -0.93 1.15 -1.07 0.00 0.00 179.97 179.77 2kua h THR 12 N -0.79 1.28 0.29 2.04 2.02 -1.56 -2.37 112.91 113.81 2kua h THR 12 Ca -0.00 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.03 2kua h THR 12 Cb 0.70 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2kua h THR 12 CO 0.01 0.67 -0.14 -0.09 0.37 0.00 0.00 175.52 176.33 2kua h ARG 13 N 0.45 -0.37 -0.47 6.66 9.65 -1.64 0.26 114.38 128.92 2kua h ARG 13 Ca -0.10 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2kua h ARG 13 Cb 1.58 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 30.22 2kua h ARG 13 CO 0.19 -0.22 0.27 0.07 2.80 0.00 0.00 179.97 183.08 2kua h ARG 14 N -0.43 0.64 0.26 0.20 -0.00 -1.53 0.10 114.38 113.63 2kua h ARG 14 Ca -0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.98 59.86 2kua h ARG 14 Cb 0.32 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 2kua h ARG 14 CO 0.06 0.48 -0.13 1.25 -0.00 0.00 0.00 179.97 181.64 2kua h LEU 15 N 0.62 -0.30 0.09 0.08 5.85 -1.30 0.48 115.31 120.82 2kua h LEU 15 Ca 0.17 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2kua h LEU 15 Cb 0.02 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2kua h LEU 15 CO -0.03 -0.14 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.77 2kua h LEU 16 N -0.44 -0.24 -0.91 2.25 4.07 -0.38 -2.04 115.31 117.61 2kua h LEU 16 Ca -0.04 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 2kua h LEU 16 Cb 0.34 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 2kua h LEU 16 CO 0.06 -0.14 0.39 0.28 -1.08 0.00 0.00 178.44 177.95 2kua h SER 17 N -0.20 1.07 -0.61 -0.43 0.02 -0.76 -2.67 113.55 109.97 2kua h SER 17 Ca 0.01 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2kua h SER 17 Cb 0.20 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 2kua h SER 17 CO -0.03 0.90 0.29 -0.78 -1.14 0.00 0.00 176.83 176.07 2kua h ASP 18 N 1.17 0.38 -0.90 3.07 3.58 0.32 -1.71 116.42 122.33 2kua h ASP 18 Ca 0.28 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 2kua h ASP 18 Cb 0.12 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2kua h ASP 18 CO -0.04 0.24 0.54 0.22 -2.88 0.00 0.00 179.24 177.32 2kua h TYR 19 N 0.53 1.19 -0.74 0.28 3.20 -1.04 -2.56 116.97 117.83 2kua h TYR 19 Ca 0.29 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.29 2kua h TYR 19 Cb 0.27 -0.39 -0.10 0.00 1.54 0.00 0.00 36.73 38.05 2kua h TYR 19 CO -0.12 0.80 0.27 0.82 -1.64 0.00 0.00 178.16 178.29 2kua h ILE 20 N 1.24 0.64 0.18 1.81 1.08 -1.09 -0.25 117.51 121.12 2kua h ILE 20 Ca 0.32 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.64 2kua h ILE 20 Cb -0.04 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 2kua h ILE 20 CO -0.06 0.08 -0.09 -0.26 -0.69 0.00 0.00 178.15 177.13 2kua h PHE 21 N 0.41 -0.22 -0.37 1.37 -1.00 -1.30 -0.34 116.94 115.49 2kua h PHE 21 Ca 0.40 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.28 2kua h PHE 21 Cb 0.62 0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 2kua h PHE 21 CO -0.18 -0.02 0.28 0.35 -1.61 0.00 0.00 178.31 177.13 2kua h PHE 22 N -0.39 0.00 0.00 -0.55 3.04 -1.16 0.35 116.94 118.22 2kua h PHE 22 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2kua h PHE 22 Cb 0.30 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.81 2kua h PHE 22 CO -0.02 0.00 -0.52 0.00 -2.02 0.00 0.00 178.31 175.75 2kua n ALA 24 N -1.72 2.60 -3.33 0.00 0.00 0.12 -4.71 120.51 113.47 2kua n ALA 24 Ca 0.04 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 2kua n ALA 24 Cb 0.40 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.38 2.81 0.71 0.00 1.81 -1.24 -5.00 118.95 116.65 2kua s ARG 25 Ca 0.06 -1.04 -0.16 0.00 -1.72 0.00 0.00 55.73 52.87 2kua s ARG 25 Cb 0.04 -3.32 -0.14 0.00 -0.45 0.00 0.00 34.95 31.08 2kua s ARG 25 CO 0.02 -0.53 -0.46 0.39 -0.68 0.00 0.00 175.30 174.03 2kua n GLU 26 N 4.79 0.00 0.08 3.54 1.02 -1.26 -4.78 120.64 124.03 2kua n GLU 26 Ca -0.14 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2kua n GLU 26 Cb 0.46 -0.91 0.42 0.00 -0.02 0.00 0.00 31.44 31.39 2kua n GLU 26 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kua n PRO 27 N 1.88 0.12 -0.08 3.49 -0.04 -1.26 -2.10 135.00 137.01 2kua n PRO 27 Ca 0.02 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 2kua n PRO 27 Cb 0.47 -1.74 0.34 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.98 1.37 -3.84 3.54 2.03 -1.26 -4.83 116.55 111.58 2kua n ASP 28 Ca 0.02 -1.73 -0.12 0.00 0.52 0.00 0.00 54.79 53.48 2kua n ASP 28 Cb 0.20 -0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.78 0.01 0.25 5.18 -1.32 -0.89 -5.14 115.64 111.94 2kua s THR 29 Ca 0.28 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 2kua s THR 29 Cb 0.15 -0.19 -0.09 0.00 -1.51 0.00 0.00 72.50 70.85 2kua s THR 29 CO 0.22 -0.05 1.27 -2.16 -2.21 0.00 0.00 174.62 171.69 2kua s PRO 30 N -0.11 4.43 0.56 7.08 0.04 -1.26 -4.65 135.00 141.09 2kua s PRO 30 Ca -0.02 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2kua s PRO 30 Cb -0.02 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 2kua s PRO 30 CO 0.00 -0.15 1.01 -1.21 0.04 0.00 0.00 177.00 176.69 2kua s GLU 31 N -0.81 3.79 1.01 4.56 8.01 -1.26 -5.06 118.70 128.94 2kua s GLU 31 Ca 0.52 0.87 -0.12 0.00 0.01 0.00 0.00 54.97 56.25 2kua s GLU 31 Cb -0.36 -2.11 0.19 0.00 -4.31 0.00 0.00 34.13 27.54 2kua s GLU 31 CO 0.43 -0.41 1.09 -1.25 0.01 0.00 0.00 175.26 175.13 2kua s PRO 32 N -4.54 0.37 0.75 0.39 0.04 -1.26 -5.03 135.00 125.72 2kua s PRO 32 Ca 0.57 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 2kua s PRO 32 Cb -0.10 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.75 2kua s PRO 32 CO 0.41 -2.77 1.09 -1.25 0.04 0.00 0.00 177.00 174.53 2kua s PRO 33 N -4.97 2.35 1.02 0.56 0.04 -1.26 -4.96 135.00 127.78 2kua s PRO 33 Ca 0.65 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 2kua s PRO 33 Cb -0.19 -1.91 0.20 0.00 0.04 0.00 0.00 34.50 32.65 2kua s PRO 33 CO 0.58 -1.57 1.09 -1.25 0.04 0.00 0.00 177.00 175.89 2kua s PRO 34 N -4.75 0.26 -0.19 0.56 0.04 -1.26 -5.04 135.00 124.62 2kua s PRO 34 Ca 0.62 0.47 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 2kua s PRO 34 Cb -0.18 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2kua s PRO 34 CO 0.53 -2.83 -0.28 2.41 0.04 0.00 0.00 177.00 176.87 2kua n THR 35 N -4.24 1.49 -4.33 1.26 -1.04 -1.26 -4.97 114.28 101.18 2kua n THR 35 Ca 0.05 0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.95 2kua n THR 35 Cb 0.57 -2.28 -0.06 0.00 -1.82 0.00 0.00 70.33 66.75 2kua n THR 35 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2kua n SER 36 N -4.46 0.62 0.02 8.00 2.88 -1.26 -4.99 113.62 114.42 2kua n SER 36 Ca -0.19 -2.68 -0.12 0.00 -1.33 0.00 0.00 58.87 54.54 2kua n SER 36 Cb 0.53 0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 64.88 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 0.21 -1.00 2.46 2.07 -1.96 0.48 116.25 120.13 2kua h VAL 37 Ca -0.23 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.46 2kua h VAL 37 Cb 0.93 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 2kua h VAL 37 CO 0.35 0.00 0.62 1.05 0.02 0.00 0.00 177.57 179.61 2kua h GLU 38 N -0.48 0.82 -0.09 1.57 4.11 -1.95 0.28 114.58 118.84 2kua h GLU 38 Ca 0.07 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 59.30 2kua h GLU 38 Cb 0.60 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kua h GLU 38 CO -0.35 0.54 -0.63 0.00 0.07 0.00 0.00 179.01 178.64 2kua h ALA 39 N 1.61 0.76 -0.19 1.06 0.00 -1.55 -3.05 119.26 117.89 2kua h ALA 39 Ca 0.55 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2kua h ALA 39 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kua h ALA 39 CO -0.34 0.73 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 2kua h ALA 40 N 1.09 0.31 0.00 0.00 0.00 0.22 -3.03 119.26 117.85 2kua h ALA 40 Ca -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kua h ALA 40 Cb 1.16 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2kua h ALA 40 CO 0.10 0.41 -0.21 1.25 0.00 0.00 0.00 179.25 180.80 2kua h LEU 41 N 0.28 -0.62 -0.34 0.00 7.12 -0.57 -2.48 115.31 118.70 2kua h LEU 41 Ca 0.00 0.09 0.07 0.00 0.13 0.00 0.00 57.88 58.17 2kua h LEU 41 Cb 1.00 0.26 -0.07 0.00 -0.53 0.00 0.00 40.66 41.32 2kua h LEU 41 CO 0.09 -0.28 -0.14 -0.07 -0.13 0.00 0.00 178.44 177.91 2kua h LEU 42 N -0.34 -0.47 -1.96 2.25 4.07 -1.60 0.45 115.31 117.71 2kua h LEU 42 Ca 0.06 0.12 0.13 0.00 0.08 0.00 0.00 57.88 58.27 2kua h LEU 42 Cb 0.42 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2kua h LEU 42 CO -0.19 -0.17 0.46 -0.09 -1.08 0.00 0.00 178.44 177.37 2kua h ARG 43 N -0.08 0.00 0.04 1.13 1.12 -1.34 3.65 114.38 118.91 2kua h ARG 43 Ca 0.17 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.76 2kua h ARG 43 Cb 0.33 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 2kua h ARG 43 CO -0.39 0.00 -1.55 0.45 -3.11 0.00 0.00 179.97 175.37 2kua n SER 44 N -3.75 1.95 -0.10 -3.80 2.88 0.57 -4.00 113.62 107.37 2kua n SER 44 Ca 0.08 0.35 -0.18 0.00 -1.33 0.00 0.00 58.87 57.79 2kua n SER 44 Cb 0.65 -0.93 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 2kua n SER 44 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2kua n VAL 45 N -4.11 1.50 -0.27 2.46 0.24 0.13 -4.26 118.33 114.01 2kua n VAL 45 Ca -0.33 -0.02 0.29 0.00 -2.04 0.00 0.00 64.34 62.25 2kua n VAL 45 Cb 0.81 -2.14 0.67 0.00 -1.47 0.00 0.00 33.84 31.72 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 0.50 -0.04 3.34 1.03 0.67 0.62 112.91 118.04 2kua h THR 46 Ca -0.29 -0.04 -0.04 0.00 -0.01 0.00 0.00 66.41 66.03 2kua h THR 46 Cb 1.13 0.37 -0.01 0.00 -1.07 0.00 0.00 68.15 68.57 2kua h THR 46 CO -0.18 0.02 -0.16 0.08 -0.01 0.00 0.00 175.52 175.28 2kua h ARG 47 N 0.12 0.06 0.08 0.00 -0.00 -1.42 -2.36 114.38 110.85 2kua h ARG 47 Ca 0.52 -0.01 -0.25 0.00 -0.00 0.00 0.00 59.98 60.24 2kua h ARG 47 Cb 1.84 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.79 2kua h ARG 47 CO -0.08 0.22 -1.16 -0.56 -0.00 0.00 0.00 179.97 178.38 2kua h GLN 48 N 0.05 0.16 -0.34 0.08 -0.00 0.07 -2.66 115.11 112.47 2kua h GLN 48 Ca 0.01 -0.27 -0.05 0.00 -0.00 0.00 0.00 58.65 58.34 2kua h GLN 48 Cb 0.32 0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.88 2kua h GLN 48 CO 0.02 1.12 0.01 0.82 -0.00 0.00 0.00 178.83 180.80 2kua h ILE 49 N 0.04 1.20 0.00 1.86 1.08 -1.03 -2.35 117.51 118.32 2kua h ILE 49 Ca -0.09 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2kua h ILE 49 Cb 1.90 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 2kua h ILE 49 CO 0.17 0.27 -0.04 1.56 -0.69 0.00 0.00 178.15 179.42 2kua h GLN 50 N 0.51 0.00 -0.08 2.37 4.20 -1.54 -0.72 115.11 119.86 2kua h GLN 50 Ca 0.11 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.84 2kua h GLN 50 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2kua h GLN 50 CO 0.01 0.00 0.71 -0.56 -0.67 0.00 0.00 178.83 178.32 2kua h GLN 51 N -0.76 0.00 0.02 1.46 3.07 -1.54 5.13 115.11 122.49 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 -2.34 -0.85 0.09 0.00 0.00 178.83 175.73 2kua n GLU 52 N -2.75 0.65 -0.13 0.06 0.28 -0.88 -4.65 120.64 113.21 2kua n GLU 52 Ca 0.01 0.22 -0.22 0.00 -0.16 0.00 0.00 57.16 57.01 2kua n GLU 52 Cb 0.76 -1.56 -0.11 0.00 1.43 0.00 0.00 31.44 31.96 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 -3.62 0.00 -0.43 -1.84 8.25 0.92 -4.40 115.22 114.09 2kua n HIS 53 Ca -0.45 0.00 0.34 0.00 -0.26 0.00 0.00 57.72 57.35 2kua n HIS 53 Cb 0.95 -0.96 0.53 0.00 1.12 0.00 0.00 29.99 31.63 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 -3.63 0.00 -0.27 -0.41 -0.00 1.64 0.96 117.38 115.68 2kua n GLN 54 Ca -0.48 0.76 0.08 0.00 -0.00 0.00 0.00 57.00 57.36 2kua n GLN 54 Cb 0.93 -1.77 0.22 0.00 -0.00 0.00 0.00 30.24 29.62 2kua n GLN 54 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2kua h GLU 55 N 0.00 0.28 0.13 2.61 4.11 -1.76 0.19 114.58 120.14 2kua h GLU 55 Ca 0.60 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.68 2kua h GLU 55 Cb 2.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.73 2kua h GLU 55 CO -0.01 0.19 -1.79 0.74 0.07 0.00 0.00 179.01 178.21 2kua h PHE 56 N 0.29 0.50 0.26 2.06 -1.00 0.28 -3.23 116.94 116.10 2kua h PHE 56 Ca 0.47 -0.37 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 2kua h PHE 56 Cb 0.84 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 2kua h PHE 56 CO -0.24 1.70 -0.42 0.74 -1.61 0.00 0.00 178.31 178.49 2kua h PHE 57 N -0.06 -1.19 -0.40 -0.55 0.04 -1.29 -0.92 116.94 112.58 2kua h PHE 57 Ca -0.38 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.47 2kua h PHE 57 Cb 1.95 0.48 -0.05 0.00 2.20 0.00 0.00 35.95 40.53 2kua h PHE 57 CO 0.09 -0.51 0.08 1.03 -0.60 0.00 0.00 178.31 178.40 2kua h SER 58 N -0.72 0.02 -0.93 2.17 0.87 -0.84 0.31 113.55 114.44 2kua h SER 58 Ca -0.03 0.07 0.22 0.00 -1.23 0.00 0.00 61.79 60.82 2kua h SER 58 Cb 0.66 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 2kua h SER 58 CO -0.14 0.05 0.62 -1.28 -0.53 0.00 0.00 176.83 175.55 2kua h SER 59 N 0.22 0.37 0.18 6.23 0.87 -1.51 -1.10 113.55 118.80 2kua h SER 59 Ca 0.19 0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.47 2kua h SER 59 Cb 0.22 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kua h SER 59 CO -0.25 0.13 -1.62 0.15 -0.53 0.00 0.00 176.83 174.72 2kua h PHE 60 N 0.36 0.69 -0.95 2.24 3.04 0.27 -3.36 116.94 119.23 2kua h PHE 60 Ca 0.49 -0.50 0.28 0.00 3.98 0.00 0.00 57.97 62.21 2kua h PHE 60 Cb 1.29 -0.03 -0.17 0.00 2.56 0.00 0.00 35.95 39.60 2kua h PHE 60 CO -0.00 1.63 0.13 0.00 -2.02 0.00 0.00 178.31 178.05 2kua n GLU 62 N -5.40 1.29 -0.01 0.00 0.28 -1.09 -2.81 120.64 112.91 2kua n GLU 62 Ca 0.24 -0.64 -0.01 0.00 -0.16 0.00 0.00 57.16 56.59 2kua n GLU 62 Cb 0.79 -1.25 -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 0.45 -0.16 0.00 0.00 177.13 177.42 2kua n SER 63 N 0.45 0.37 -0.22 -1.84 2.88 0.47 -4.83 113.62 110.90 2kua n SER 63 Ca 0.13 0.06 0.07 0.00 -1.33 0.00 0.00 58.87 57.79 2kua n SER 63 Cb 0.67 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 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 -2.86 2.08 -0.91 -1.46 3.00 -1.25 -4.97 116.66 110.29 2kua n ARG 64 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.85 57.31 2kua n ARG 64 Cb 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.36 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 1.13 0.47 1.15 -0.13 0.00 -1.12 -4.86 105.19 101.84 2kua n GLY 65 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.19 3.56 -0.34 1.61 5.03 -1.26 -4.55 115.26 119.13 2kua n ASN 66 Ca 0.00 -2.15 0.28 0.00 0.87 0.00 0.00 54.58 53.58 2kua n ASN 66 Cb 0.09 -0.65 0.45 0.00 -1.02 0.00 0.00 39.78 38.66 2kua n ASN 66 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2kua n ARG 67 N 0.66 -0.02 -0.04 3.52 1.85 -1.26 0.24 116.66 121.60 2kua n ARG 67 Ca 0.02 0.77 -0.14 0.00 -1.00 0.00 0.00 57.85 57.50 2kua n ARG 67 Cb 0.53 -1.57 -0.12 0.00 -1.05 0.00 0.00 32.46 30.26 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 0.01 -1.72 2.89 6.46 -1.95 -2.71 115.31 118.29 2kua h LEU 68 Ca 0.57 -0.77 0.29 0.00 -0.12 0.00 0.00 57.88 57.85 2kua h LEU 68 Cb 1.95 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.81 2kua h LEU 68 CO -0.22 0.78 0.73 -0.33 -0.62 0.00 0.00 178.44 178.77 2kua h GLU 69 N -0.76 0.17 0.07 1.25 4.39 0.27 0.47 114.58 120.44 2kua h GLU 69 Ca -0.00 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.44 2kua h GLU 69 Cb 0.78 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2kua h GLU 69 CO 0.00 0.11 -1.18 -0.07 -1.16 0.00 0.00 179.01 176.72 2kua h LEU 70 N 0.18 0.23 -0.10 1.33 -0.00 -1.43 -2.25 115.31 113.26 2kua h LEU 70 Ca 0.55 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 58.16 2kua h LEU 70 Cb 1.81 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.39 2kua h LEU 70 CO -0.13 1.20 0.03 1.62 -0.00 0.00 0.00 178.44 181.16 2kua h VAL 71 N 0.04 1.17 -0.07 1.22 3.04 0.23 -0.79 116.25 121.10 2kua h VAL 71 Ca -0.10 -0.53 -0.19 0.00 -1.01 0.00 0.00 66.70 64.88 2kua h VAL 71 Cb 1.89 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.50 2kua h VAL 71 CO 0.17 0.15 -0.75 0.07 -1.01 0.00 0.00 177.57 176.20 2kua h LYS 72 N -0.02 0.38 -0.21 4.17 2.10 -1.37 -3.05 116.57 118.56 2kua h LYS 72 Ca 0.03 -0.32 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 2kua h LYS 72 Cb 0.21 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2kua h LYS 72 CO -0.00 0.97 0.10 1.96 -2.00 0.00 0.00 179.45 180.48 2kua h GLN 73 N 0.25 0.31 0.57 0.07 7.50 -1.32 -2.50 115.11 120.00 2kua h GLN 73 Ca -0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.05 2kua h GLN 73 Cb 1.33 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.79 2kua h GLN 73 CO 0.13 0.33 -0.40 0.52 -1.50 0.00 0.00 178.83 177.91 2kua h MET 74 N 0.21 -0.90 -0.00 1.46 2.86 -1.18 -1.18 114.93 116.21 2kua h MET 74 Ca 0.07 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2kua h MET 74 Cb 0.13 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2kua h MET 74 CO -0.01 -0.60 0.36 0.00 1.06 0.00 0.00 176.91 177.72 2kua h ALA 75 N -0.63 1.36 0.00 6.32 0.00 -1.52 0.57 119.26 125.36 2kua h ALA 75 Ca -0.07 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2kua h ALA 75 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2kua h ALA 75 CO 0.03 -0.36 -1.03 0.22 0.00 0.00 0.00 179.25 178.12 2kua h ASP 76 N 0.00 0.00 0.00 0.00 3.58 -0.76 -1.49 116.42 117.75 2kua h ASP 76 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2kua h ASP 76 Cb 0.72 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2kua h ASP 76 CO -0.00 0.92 -0.85 0.07 -2.88 0.00 0.00 179.24 176.49 2kua h LYS 77 N 0.00 0.01 0.09 0.28 2.10 0.57 -3.42 116.57 116.20 2kua h LYS 77 Ca -0.05 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2kua h LYS 77 Cb 1.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.07 2kua h LYS 77 CO 0.11 1.01 -0.04 1.37 -2.00 0.00 0.00 179.45 179.90 2kua h LEU 78 N -0.98 -0.10-10.15 7.07 -0.00 -1.22 -3.46 115.31 106.47 2kua h LEU 78 Ca -0.23 -0.05 -0.50 0.00 -0.00 0.00 0.00 57.88 57.10 2kua h LEU 78 Cb 1.22 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2kua h LEU 78 CO -0.13 0.41 0.10 -0.76 -0.00 0.00 0.00 178.44 178.06 2kua s LEU 79 N -8.66 3.84 0.00 0.17 2.01 -0.56 -4.85 118.68 110.63 2kua s LEU 79 Ca -0.03 1.10 -0.06 0.00 0.01 0.00 0.00 54.13 55.15 2kua s LEU 79 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 46.19 42.25 2kua s LEU 79 CO 0.09 -0.39 0.31 -0.24 1.01 0.00 0.00 176.35 177.14 2kua n SER 80 N -1.29 -0.82 -0.13 2.29 2.88 -1.26 -3.93 113.62 111.37 2kua n SER 80 Ca 0.02 -1.54 -0.20 0.00 -1.33 0.00 0.00 58.87 55.82 2kua n SER 80 Cb 0.54 1.35 -0.11 0.00 -0.75 0.00 0.00 64.21 65.24 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 -0.21 0.62 0.00 -1.46 2.85 -1.26 -4.48 118.16 114.21 2kua n LYS 81 Ca -0.03 0.16 0.11 0.00 -1.05 0.00 0.00 58.31 57.51 2kua n LYS 81 Cb 0.22 -1.49 0.07 0.00 -0.65 0.00 0.00 35.03 33.18 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 -3.41 0.99 -4.70 -5.58 9.92 -1.26 -4.67 116.55 107.84 2kua n ASP 82 Ca -0.46 -0.83 -0.39 0.00 -0.53 0.00 0.00 54.79 52.59 2kua n ASP 82 Cb 0.96 0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 41.97 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kua s GLN 83 N -2.87 4.30 -0.65 -1.24 1.11 -1.26 -4.96 119.66 114.09 2kua s GLN 83 Ca 0.12 0.50 -0.27 0.00 0.01 0.00 0.00 55.36 55.73 2kua s GLN 83 Cb 0.17 -3.48 -0.24 0.00 -1.01 0.00 0.00 33.01 28.44 2kua s GLN 83 CO 0.73 0.03 1.86 -0.40 0.01 0.00 0.00 175.29 177.52 2kua n ASP 84 N 4.11 1.78 -4.64 5.90 5.75 -1.26 -4.50 116.55 123.69 2kua n ASP 84 Ca -0.05 -2.57 -0.47 0.00 -0.01 0.00 0.00 54.79 51.69 2kua n ASP 84 Cb 0.51 -1.17 -0.04 0.00 -1.03 0.00 0.00 41.12 39.39 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 12.42 2.23 -2.16 2.11 -1.74 -1.26 -4.95 117.46 124.10 2kua n PHE 85 Ca 0.46 -0.07 -0.29 0.00 -0.56 0.00 0.00 57.45 56.98 2kua n PHE 85 Cb 0.44 -2.69 0.02 0.00 1.52 0.00 0.00 39.48 38.77 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 5.21 5.91 0.53 5.98 0.15 -1.26 -4.94 113.70 125.28 2kua s SER 86 Ca 0.95 1.08 0.23 0.00 0.70 0.00 0.00 55.95 58.92 2kua s SER 86 Cb -0.60 -2.12 1.36 0.00 -1.71 0.00 0.00 66.02 62.94 2kua s SER 86 CO 0.47 -0.96 2.03 -0.50 1.20 0.00 0.00 173.24 175.48 2kua h TRP 87 N -0.24 0.01 -0.65 3.44 -0.00 -2.01 -0.20 115.95 116.31 2kua h TRP 87 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.43 2kua h TRP 87 Cb 1.22 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.35 2kua h TRP 87 CO 0.56 0.01 0.36 0.77 -0.00 0.00 0.00 178.44 180.14 2kua h SER 88 N 0.01 0.79 -0.07 -3.49 0.02 -2.01 -2.48 113.55 106.33 2kua h SER 88 Ca 0.20 -0.06 -0.21 0.00 -0.84 0.00 0.00 61.79 60.89 2kua h SER 88 Cb 0.80 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2kua h SER 88 CO -0.00 0.64 -0.73 1.56 -1.14 0.00 0.00 176.83 177.15 2kua h GLN 89 N 0.90 0.71 0.05 3.45 4.20 -1.40 -2.34 115.11 120.69 2kua h GLN 89 Ca 0.23 -0.56 0.03 0.00 0.06 0.00 0.00 58.65 58.41 2kua h GLN 89 Cb 0.02 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 2kua h GLN 89 CO -0.04 1.18 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.88 2kua h LEU 90 N 0.50 -1.03 -1.14 1.46 -0.00 -1.20 -0.94 115.31 112.94 2kua h LEU 90 Ca -0.04 0.13 -0.08 0.00 -0.00 0.00 0.00 57.88 57.89 2kua h LEU 90 Cb 1.35 0.40 -0.01 0.00 -0.00 0.00 0.00 40.66 42.40 2kua h LEU 90 CO 0.15 -0.42 -0.27 -0.37 -0.00 0.00 0.00 178.44 177.53 2kua h VAL 91 N -0.54 1.25 -0.57 1.22 -1.51 -1.58 -2.93 116.25 111.59 2kua h VAL 91 Ca 0.04 -1.17 0.03 0.00 -1.23 0.00 0.00 66.70 64.38 2kua h VAL 91 Cb 0.60 1.44 -0.04 0.00 -2.13 0.00 0.00 31.29 31.15 2kua h VAL 91 CO -0.25 0.36 0.34 -0.03 -1.23 0.00 0.00 177.57 176.76 2kua h MET 92 N 0.24 0.64 -0.53 5.19 -1.53 -0.76 -1.72 114.93 116.46 2kua h MET 92 Ca 0.04 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 2kua h MET 92 Cb 0.60 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.48 2kua h MET 92 CO 0.04 0.42 0.21 1.25 0.14 0.00 0.00 176.91 178.98 2kua h LEU 93 N 0.66 0.73 -0.56 3.39 6.46 -1.03 -2.25 115.31 122.71 2kua h LEU 93 Ca 0.24 -0.17 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2kua h LEU 93 Cb 0.05 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 2kua h LEU 93 CO -0.11 0.70 0.31 -0.07 -0.62 0.00 0.00 178.44 178.64 2kua h LEU 94 N 0.72 0.46 0.70 2.25 4.07 -1.34 -1.55 115.31 120.61 2kua h LEU 94 Ca 0.18 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 2kua h LEU 94 Cb 0.19 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 41.87 2kua h LEU 94 CO -0.01 0.31 -0.33 0.00 -1.08 0.00 0.00 178.44 177.32 2kua h ALA 95 N 1.28 -0.93 -0.08 1.53 0.00 -1.11 -2.94 119.26 117.01 2kua h ALA 95 Ca 0.24 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kua h ALA 95 Cb 0.12 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2kua h ALA 95 CO -0.15 -1.02 -0.54 0.35 0.00 0.00 0.00 179.25 177.89 2kua h PHE 96 N -0.95 -1.61 -0.92 0.00 3.57 -1.24 -0.40 116.94 115.40 2kua h PHE 96 Ca -0.10 0.06 0.19 0.00 3.53 0.00 0.00 57.97 61.65 2kua h PHE 96 Cb 0.72 0.71 -0.17 0.00 2.79 0.00 0.00 35.95 40.00 2kua h PHE 96 CO -0.02 -0.56 -0.21 0.00 -2.23 0.00 0.00 178.31 175.28 2kua n ALA 97 N -2.99 0.24 0.20 2.41 0.00 -0.60 0.23 120.51 120.00 2kua n ALA 97 Ca -0.07 1.01 0.07 0.00 0.00 0.00 0.00 53.44 54.45 2kua n ALA 97 Cb 0.39 -0.61 0.40 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.11 -2.83 103.07 101.14 2kua h GLY 98 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.68 2kua h GLY 98 CO -0.94 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 175.16 2kua h THR 99 N 0.00 1.02 0.13 4.70 1.03 0.46 -3.12 112.91 117.12 2kua h THR 99 Ca -0.00 -1.72 -0.27 0.00 -0.01 0.00 0.00 66.41 64.41 2kua h THR 99 Cb 0.79 2.01 0.01 0.00 -1.07 0.00 0.00 68.15 69.89 2kua h THR 99 CO 0.04 0.44 -1.23 -0.07 -0.01 0.00 0.00 175.52 174.69 2kua h LEU 100 N 0.00 0.46 -5.90 0.00 3.38 -0.84 -3.42 115.31 109.00 2kua h LEU 100 Ca -0.00 -0.48 -0.46 0.00 0.09 0.00 0.00 57.88 57.02 2kua h LEU 100 Cb 0.98 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2kua h LEU 100 CO 0.06 1.37 1.14 0.80 0.09 0.00 0.00 178.44 181.90 2kua n MET 101 N -3.57 0.00 -2.24 1.13 1.56 -1.12 -4.86 117.12 108.02 2kua n MET 101 Ca -0.09 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.05 2kua n MET 101 Cb 1.01 -1.11 0.01 0.00 2.15 0.00 0.00 33.22 35.29 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 5.58 6.04 -0.18 6.12 6.03 -1.26 -4.89 114.94 132.37 2kua s ASN 102 Ca 0.95 1.08 -0.05 0.00 -1.03 0.00 0.00 52.86 53.81 2kua s ASN 102 Cb -1.01 -2.19 0.09 0.00 -3.03 0.00 0.00 41.25 35.10 2kua s ASN 102 CO 0.42 -0.85 0.35 -1.10 -2.03 0.00 0.00 177.10 173.88 2kua s GLN 103 N -5.01 0.26 -0.39 3.55 -1.52 -1.26 -4.62 119.66 110.66 2kua s GLN 103 Ca 0.52 0.80 0.11 0.00 -1.95 0.00 0.00 55.36 54.84 2kua s GLN 103 Cb -0.11 -0.03 0.39 0.00 -0.22 0.00 0.00 33.01 33.04 2kua s GLN 103 CO 0.49 -0.36 1.13 0.41 -0.25 0.00 0.00 175.29 176.72 2kua n GLY 104 N 5.37 1.50 0.00 3.09 0.00 -1.26 -5.14 105.19 108.75 2kua n GLY 104 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.16 0.33 0.00 1.61 -0.04 -1.26 -5.00 135.00 130.48 2kua n PRO 105 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kua n PRO 105 Cb 0.79 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.25 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 -1.18 0.00 -2.05 0.54 0.18 -1.26 -5.02 117.16 108.37 2kua n TYR 106 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2kua n TYR 106 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2kua n TYR 106 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kua n MET 107 N -0.40 0.00 -3.52 -3.48 0.00 -1.26 -5.15 117.12 103.31 2kua n MET 107 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 2kua n MET 107 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.08 2kua n MET 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua s ALA 108 N -1.40 0.19 0.13 3.17 0.00 -1.26 -4.96 121.76 117.63 2kua s ALA 108 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kua s ALA 108 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2kua s ALA 108 CO 0.00 -1.45 0.00 1.55 0.00 0.00 0.00 175.76 175.86 2kua n VAL 109 N 5.28 0.00 -3.42 0.00 3.14 -1.26 -5.01 118.33 117.06 2kua n VAL 109 Ca -0.05 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.93 2kua n VAL 109 Cb 0.46 -0.12 -0.03 0.00 -1.06 0.00 0.00 33.84 33.09 2kua n VAL 109 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2kua n LYS 110 N -2.78 3.24 0.09 1.45 5.02 -1.26 -4.71 118.16 119.21 2kua n LYS 110 Ca 0.00 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.79 2kua n LYS 110 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 2kua n LYS 110 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kua n GLN 111 N 2.14 0.00 -4.14 1.97 1.13 -1.26 -4.80 117.38 112.42 2kua n GLN 111 Ca 0.24 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 55.00 2kua n GLN 111 Cb 0.37 -0.29 -0.08 0.00 0.11 0.00 0.00 30.24 30.35 2kua n GLN 111 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kua n LYS 112 N -3.46 -0.88 -2.70 -1.09 4.76 -1.26 0.10 118.16 113.64 2kua n LYS 112 Ca 0.00 0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.43 2kua n LYS 112 Cb 0.00 -3.13 0.02 0.00 -1.84 0.00 0.00 35.03 30.08 2kua n LYS 112 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2kua n ARG 113 N -4.30 -2.27 0.00 1.97 3.00 -1.26 -4.92 116.66 108.88 2kua n ARG 113 Ca -0.28 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2kua n ARG 113 Cb 0.62 -3.85 0.00 0.00 0.00 0.00 0.00 32.46 29.23 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 0.07 0.29 -0.24 6.15 -0.08 0.29 -4.84 116.55 118.18 2kua n ASP 114 Ca -0.02 -0.91 0.03 0.00 -1.51 0.00 0.00 54.79 52.38 2kua n ASP 114 Cb 0.53 0.04 0.12 0.00 2.34 0.00 0.00 41.12 44.15 2kua n ASP 114 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2kua h LEU 115 N 0.00 -0.43 1.57 -2.67 -0.00 -1.87 -3.44 115.31 108.47 2kua h LEU 115 Ca 0.00 0.19 -0.05 0.00 -0.00 0.00 0.00 57.88 58.02 2kua h LEU 115 Cb 0.30 0.36 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 2kua h LEU 115 CO 0.00 -0.18 -0.08 0.61 -0.00 0.00 0.00 178.44 178.79 2kua n GLY 116 N -1.42 -0.42 3.56 0.17 0.00 -1.26 -4.74 105.19 101.07 2kua n GLY 116 Ca 0.11 0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.36 0.98 -0.48 1.61 6.94 -1.26 -4.86 115.26 116.82 2kua n ASN 117 Ca 0.01 1.15 0.00 0.00 -0.02 0.00 0.00 54.58 55.72 2kua n ASN 117 Cb 0.43 -1.19 0.00 0.00 -2.36 0.00 0.00 39.78 36.66 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 1.40 0.00 0.00 -3.83 1.85 -1.26 -4.86 116.66 109.96 2kua n ARG 118 Ca 0.14 -0.08 -0.00 0.00 -1.00 0.00 0.00 57.85 56.91 2kua n ARG 118 Cb 0.26 -0.04 -0.00 0.00 -1.05 0.00 0.00 32.46 31.62 2kua n ARG 118 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2kua h VAL 119 N 5.10 0.00 0.07 8.89 -1.51 -1.99 -3.24 116.25 123.58 2kua h VAL 119 Ca 0.00 -0.09 -0.30 0.00 -1.23 0.00 0.00 66.70 65.08 2kua h VAL 119 Cb 1.03 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 2kua h VAL 119 CO 0.00 0.00 -1.57 0.16 -1.23 0.00 0.00 177.57 174.93 2kua h ILE 120 N -0.11 1.08 -0.75 7.19 -2.65 -1.94 -3.29 117.51 117.04 2kua h ILE 120 Ca -0.00 -2.79 -0.00 0.00 1.03 0.00 0.00 64.86 63.09 2kua h ILE 120 Cb 0.02 2.65 -0.04 0.00 -2.05 0.00 0.00 36.82 37.40 2kua h ILE 120 CO 0.00 0.76 0.46 1.62 0.03 0.00 0.00 178.15 181.03 2kua h VAL 121 N 0.04 1.21 -0.61 0.16 3.04 -1.82 0.56 116.25 118.83 2kua h VAL 121 Ca -0.25 -0.43 -0.05 0.00 -1.01 0.00 0.00 66.70 64.96 2kua h VAL 121 Cb 1.99 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 31.39 2kua h VAL 121 CO 0.13 0.21 0.18 0.00 -1.01 0.00 0.00 177.57 177.08 2kua h THR 122 N 1.02 1.25 -0.01 3.17 1.03 -1.69 0.69 112.91 118.36 2kua h THR 122 Ca 0.27 -0.84 -0.20 0.00 -0.01 0.00 0.00 66.41 65.62 2kua h THR 122 Cb -0.06 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 67.66 2kua h THR 122 CO -0.05 0.32 -0.87 0.08 -0.01 0.00 0.00 175.52 174.99 2kua h ARG 123 N 0.87 0.31 0.03 0.00 0.11 -1.54 -2.69 114.38 111.46 2kua h ARG 123 Ca 0.19 -0.31 -0.21 0.00 0.10 0.00 0.00 59.98 59.75 2kua h ARG 123 Cb 0.30 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2kua h ARG 123 CO -0.00 1.00 -0.97 0.22 0.10 0.00 0.00 179.97 180.32 2kua h ASP 124 N 0.18 0.24 -0.18 0.08 3.58 0.30 -3.02 116.42 117.61 2kua h ASP 124 Ca -0.05 -0.22 -0.15 0.00 0.42 0.00 0.00 57.03 57.03 2kua h ASP 124 Cb 1.48 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.45 2kua h ASP 124 CO 0.14 1.07 -0.42 0.00 -2.88 0.00 0.00 179.24 177.16 2kua h LEU 127 N -0.71 -0.41 -0.39 0.00 8.10 -1.58 0.46 115.31 120.79 2kua h LEU 127 Ca -0.04 -0.10 0.07 0.00 0.11 0.00 0.00 57.88 57.92 2kua h LEU 127 Cb 0.49 0.11 -0.06 0.00 -0.44 0.00 0.00 40.66 40.75 2kua h LEU 127 CO 0.07 -0.13 -0.01 -0.29 -4.11 0.00 0.00 178.44 173.97 2kua h ILE 128 N -0.69 0.69 -0.05 0.15 2.10 -1.10 -1.17 117.51 117.45 2kua h ILE 128 Ca -0.05 -0.03 -0.11 0.00 1.08 0.00 0.00 64.86 65.75 2kua h ILE 128 Cb 0.49 0.59 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 2kua h ILE 128 CO 0.08 0.02 -0.47 0.58 -1.08 0.00 0.00 178.15 177.27 2kua h VAL 129 N 0.09 1.34 -0.59 2.19 2.07 -0.92 -3.13 116.25 117.30 2kua h VAL 129 Ca 0.19 -1.66 0.12 0.00 0.82 0.00 0.00 66.70 66.18 2kua h VAL 129 Cb 0.28 1.83 -0.11 0.00 -1.52 0.00 0.00 31.29 31.77 2kua h VAL 129 CO -0.33 0.48 -0.09 -1.13 0.02 0.00 0.00 177.57 176.52 2kua h ASN 130 N 0.10 -0.44 0.26 0.57 -0.73 0.12 1.21 115.58 116.67 2kua h ASN 130 Ca 0.00 0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 2kua h ASN 130 Cb 0.88 0.33 0.00 0.00 0.27 0.00 0.00 38.32 39.80 2kua h ASN 130 CO 0.07 -0.16 -0.13 0.15 -0.37 0.00 0.00 177.43 176.99 2kua h PHE 131 N 0.04 -0.33 -0.11 0.67 3.04 -1.50 -2.25 116.94 116.50 2kua h PHE 131 Ca 0.29 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.27 2kua h PHE 131 Cb 0.46 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 2kua h PHE 131 CO -0.44 0.03 0.11 -0.07 -2.02 0.00 0.00 178.31 175.92 2kua h LEU 132 N -0.77 0.00 0.02 0.59 3.38 -1.39 0.29 115.31 117.43 2kua h LEU 132 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kua h LEU 132 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kua h LEU 132 CO 0.06 0.00 -0.01 0.22 0.09 0.00 0.00 178.44 178.80 2kua h TYR 133 N 0.00 -0.02 -0.05 1.13 5.03 0.16 -3.02 116.97 120.20 2kua h TYR 133 Ca 0.05 -0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.22 2kua h TYR 133 Cb 0.28 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2kua h TYR 133 CO 0.00 0.61 -0.59 -2.95 -1.32 0.00 0.00 178.16 173.90 2kua h ASN 134 N -0.67 0.17 -0.23 -2.11 -1.07 -0.80 0.34 115.58 111.22 2kua h ASN 134 Ca -0.00 -0.10 0.03 0.00 0.07 0.00 0.00 56.30 56.30 2kua h ASN 134 Cb 0.63 -0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 36.81 2kua h ASN 134 CO 0.00 0.73 0.06 0.25 0.07 0.00 0.00 177.43 178.54 2kua h LEU 135 N 0.11 0.05 0.00 6.14 7.12 -0.51 -1.38 115.31 126.84 2kua h LEU 135 Ca -0.01 0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.95 2kua h LEU 135 Cb 1.08 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 2kua h LEU 135 CO 0.09 0.06 -1.19 0.17 -0.13 0.00 0.00 178.44 177.43 2kua h LEU 136 N 0.16 0.00 -2.77 2.25 8.10 -1.52 -3.33 115.31 118.19 2kua h LEU 136 Ca 0.10 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.95 2kua h LEU 136 Cb 0.08 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.22 2kua h LEU 136 CO -0.12 0.29 0.18 0.80 -4.11 0.00 0.00 178.44 175.48 2kua n MET 137 N -2.79 2.51 -2.03 0.17 1.56 0.12 -1.71 117.12 114.95 2kua n MET 137 Ca -0.05 -1.75 -0.28 0.00 -0.27 0.00 0.00 57.70 55.36 2kua n MET 137 Cb 0.70 -1.81 0.08 0.00 2.15 0.00 0.00 33.22 34.34 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 -0.37 1.64 0.10 -5.12 0.00 -0.54 -4.70 107.32 98.32 2kua s GLY 138 Ca 0.32 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 2kua s GLY 138 CO 0.08 -0.32 1.65 3.21 0.00 0.00 0.00 173.10 177.72 2kua h ARG 139 N -0.88 -0.48 0.20 2.90 3.08 -1.92 0.47 114.38 117.75 2kua h ARG 139 Ca -0.45 0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.31 2kua h ARG 139 Cb 1.32 0.11 0.04 0.00 0.08 0.00 0.00 29.97 31.52 2kua h ARG 139 CO 0.63 -0.32 -1.37 0.07 -1.07 0.00 0.00 179.97 177.91 2kua h ARG 140 N -0.50 0.58 0.77 0.04 -0.00 -1.94 -2.35 114.38 110.97 2kua h ARG 140 Ca -0.01 -0.89 -0.04 0.00 -0.00 0.00 0.00 59.98 59.05 2kua h ARG 140 Cb 0.46 0.31 0.01 0.00 -0.00 0.00 0.00 29.97 30.75 2kua h ARG 140 CO -0.04 1.42 -0.37 0.45 -0.00 0.00 0.00 179.97 181.43 2kua h HIS 141 N 0.19 -0.96 -0.20 4.08 3.86 -1.82 -1.50 115.15 118.81 2kua h HIS 141 Ca -0.23 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2kua h HIS 141 Cb 2.05 0.32 -0.01 0.00 1.06 0.00 0.00 27.41 30.83 2kua h HIS 141 CO 0.13 -0.59 0.11 -0.09 0.86 0.00 0.00 177.93 178.35 2kua h ARG 142 N -1.06 0.28 -0.77 2.45 1.12 0.84 0.28 114.38 117.52 2kua h ARG 142 Ca -0.11 -0.03 0.16 0.00 -1.11 0.00 0.00 59.98 58.90 2kua h ARG 142 Cb 0.80 -0.06 -0.11 0.00 -0.01 0.00 0.00 29.97 30.60 2kua h ARG 142 CO 0.17 0.26 0.27 0.00 -3.11 0.00 0.00 179.97 177.56 2kua h ALA 143 N 1.01 1.08 0.02 2.80 0.00 -1.40 -1.60 119.26 121.18 2kua h ALA 143 Ca 0.07 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2kua h ALA 143 Cb 0.06 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kua h ALA 143 CO -0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 179.25 178.59 2kua h ARG 144 N 0.36 0.21 -0.91 0.00 2.47 -0.98 -2.14 114.38 113.39 2kua h ARG 144 Ca 0.44 -0.25 0.26 0.00 -1.26 0.00 0.00 59.98 59.17 2kua h ARG 144 Cb 0.74 0.08 -0.16 0.00 -1.65 0.00 0.00 29.97 28.98 2kua h ARG 144 CO -0.47 1.00 0.17 1.25 0.56 0.00 0.00 179.97 182.48 2kua h LEU 145 N -0.47 -0.17 0.09 3.04 7.12 0.22 0.35 115.31 125.49 2kua h LEU 145 Ca -0.05 0.23 -0.27 0.00 0.13 0.00 0.00 57.88 57.92 2kua h LEU 145 Cb 1.14 0.35 -0.01 0.00 -0.53 0.00 0.00 40.66 41.61 2kua h LEU 145 CO 0.07 -0.25 -1.26 1.05 -0.13 0.00 0.00 178.44 177.92 2kua h GLU 146 N 0.11 0.19 0.00 1.25 4.11 -1.40 -0.93 114.58 117.92 2kua h GLU 146 Ca 0.58 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2kua h GLU 146 Cb 1.20 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2kua h GLU 146 CO -0.76 1.12 0.07 0.00 0.07 0.00 0.00 179.01 179.52 2kua n ALA 147 N -2.52 0.94 -1.15 1.06 0.00 0.11 -0.17 120.51 118.79 2kua n ALA 147 Ca -0.08 0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.56 2kua n ALA 147 Cb 1.01 -1.18 0.24 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.19 4.26 0.00 0.00 -0.00 -0.63 -4.89 117.00 113.56 2kua n LEU 148 Ca -0.01 -3.30 0.00 0.00 -0.00 0.00 0.00 56.01 52.70 2kua n LEU 148 Cb 0.10 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2kua n LEU 148 CO 0.08 0.88 0.00 0.61 -0.00 0.00 0.00 177.39 178.97 2kua n GLY 149 N -0.70 0.36 4.41 1.47 0.00 0.76 -4.49 105.19 107.00 2kua n GLY 149 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.79 0.54 -0.02 0.00 -0.36 0.22 105.19 102.77 2kua n GLY 150 Ca 0.00 -0.63 0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.85 0.00 -0.04 1.61 5.03 -1.26 0.19 117.44 121.11 2kua n TRP 151 Ca 0.00 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.40 2kua n TRP 151 Cb 0.17 -0.30 -0.08 0.00 -1.03 0.00 0.00 31.31 30.06 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 0.25 0.27 -0.99 5.19 -1.85 -2.77 116.42 116.54 2kua h ASP 152 Ca 0.58 -0.50 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 2kua h ASP 152 Cb 2.92 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 42.35 2kua h ASP 152 CO -0.01 0.71 -0.25 1.23 -3.12 0.00 0.00 179.24 177.80 2kua h GLY 153 N -0.19 0.00 0.62 2.75 0.00 0.64 -2.87 103.07 104.02 2kua h GLY 153 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2kua h GLY 153 CO 0.03 0.00 -0.19 -2.75 0.00 0.00 0.00 176.54 173.63 2kua h PHE 154 N 0.00 -0.49 -0.95 5.60 3.57 -1.42 0.42 116.94 123.67 2kua h PHE 154 Ca -0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.69 2kua h PHE 154 Cb 0.46 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 2kua h PHE 154 CO 0.00 -0.16 0.61 0.00 -2.23 0.00 0.00 178.31 176.53 2kua h ARG 156 N 0.54 0.00 -0.22 0.00 1.12 -1.45 -1.32 114.38 113.05 2kua h ARG 156 Ca 0.51 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 59.29 2kua h ARG 156 Cb 1.08 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.04 2kua h ARG 156 CO -0.25 0.65 -0.23 0.35 -3.11 0.00 0.00 179.97 177.39 2kua h PHE 157 N 0.00 0.66 -0.02 2.20 3.57 0.18 -3.08 116.94 120.45 2kua h PHE 157 Ca -0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2kua h PHE 157 Cb 1.47 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2kua h PHE 157 CO 0.00 0.89 0.00 1.19 -2.23 0.00 0.00 178.31 178.16 2kua n PHE 158 N -4.39 0.01 -3.22 0.41 3.01 -0.36 -5.00 117.46 107.91 2kua n PHE 158 Ca -0.05 -0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.16 2kua n PHE 158 Cb 0.42 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.92 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 0.49 -2.08 -1.39 -1.08 4.01 -0.57 -4.84 118.16 112.69 2kua n LYS 159 Ca 0.18 1.71 -0.38 0.00 -0.51 0.00 0.00 58.31 59.31 2kua n LYS 159 Cb 0.42 -3.49 0.04 0.00 -0.51 0.00 0.00 35.03 31.49 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 -0.12 -1.36 -0.02 4.39 2.85 -0.78 -4.92 115.26 115.29 2kua n ASN 160 Ca -0.00 0.68 -0.13 0.00 -0.11 0.00 0.00 54.58 55.02 2kua n ASN 160 Cb 0.57 -1.15 -0.09 0.00 1.24 0.00 0.00 39.78 40.34 2kua n ASN 160 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2kua h PRO 161 N 0.03 0.06 -7.16 1.20 0.13 -1.90 -3.45 132.00 120.91 2kua h PRO 161 Ca -0.45 -0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.14 2kua h PRO 161 Cb 1.39 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.72 2kua h PRO 161 CO 0.45 0.53 0.03 1.28 -0.23 0.00 0.00 178.00 180.06 2kua n LEU 162 N -4.80 1.85 0.00 1.56 4.32 -1.26 -5.02 117.00 113.65 2kua n LEU 162 Ca -0.08 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2kua n LEU 162 Cb 0.27 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 40.68 2kua n LEU 162 CO 0.34 -2.59 0.00 -0.81 -1.22 0.00 0.00 177.39 173.12 2kua n PRO 163 N -3.98 0.00 -2.10 3.23 -0.04 -1.26 -5.00 135.00 125.85 2kua n PRO 163 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2kua n PRO 163 Cb 0.53 -0.24 0.03 0.00 -0.04 0.00 0.00 33.50 33.78 2kua n PRO 163 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kua n LEU 164 N 0.00 0.00 0.00 1.53 4.32 -1.26 -5.05 117.00 116.54 2kua n LEU 164 Ca 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 56.01 54.65 2kua n LEU 164 Cb 0.00 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 2kua n LEU 164 CO 0.00 -0.60 0.00 0.61 -1.22 0.00 0.00 177.39 176.18