#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 0.03 -0.10 1.61 -0.04 -1.26 -4.03 135.00 131.20 2kua n PRO -4 Ca 0.00 0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 2kua n PRO -4 Cb 0.00 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.60 -0.26 0.00 1.53 -0.00 -1.26 -4.92 117.00 110.50 2kua n LEU -3 Ca 0.03 0.90 0.00 0.00 -0.00 0.00 0.00 56.01 56.95 2kua n LEU -3 Cb 0.18 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2kua n LEU -3 CO 0.14 -0.59 0.00 0.61 -0.00 0.00 0.00 177.39 177.55 2kua n GLY -2 N -1.06 -2.57 3.41 -3.96 0.00 -1.26 -5.02 105.19 94.73 2kua n GLY -2 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 2kua n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kua s SER 0 N -2.63 2.86 -0.05 1.61 1.04 -1.26 -5.07 113.70 110.20 2kua s SER 0 Ca 0.00 -1.10 -0.22 0.00 0.48 0.00 0.00 55.95 55.11 2kua s SER 0 Cb 0.00 -0.19 -0.16 0.00 0.10 0.00 0.00 66.02 65.77 2kua s SER 0 CO 0.00 -0.21 0.92 -0.03 0.98 0.00 0.00 173.24 174.89 2kua h MET 1 N 2.37 -0.19 -2.50 4.02 4.05 -2.05 -3.49 114.93 117.15 2kua h MET 1 Ca -0.39 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.16 2kua h MET 1 Cb 1.23 0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 31.98 2kua h MET 1 CO 0.64 0.26 0.42 0.00 0.23 0.00 0.00 176.91 178.46 2kua s ALA 2 N -3.74 -1.61 0.00 0.39 0.00 -1.26 -5.08 121.76 110.46 2kua s ALA 2 Ca -0.13 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2kua s ALA 2 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2kua s ALA 2 CO 0.50 -0.93 0.00 -0.40 0.00 0.00 0.00 175.76 174.93 2kua n ASP 3 N -0.41 1.16 0.30 0.00 5.75 -1.26 -4.62 116.55 117.47 2kua n ASP 3 Ca -0.07 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.89 2kua n ASP 3 Cb 0.61 0.03 0.94 0.00 -1.03 0.00 0.00 41.12 41.68 2kua n ASP 3 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kua h SER 4 N 0.00 0.00 -0.20 -1.12 0.02 -1.97 -1.49 113.55 108.79 2kua h SER 4 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kua h SER 4 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2kua h SER 4 CO 0.00 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 2kua n GLN 5 N -3.27 2.54 -4.19 3.45 3.00 -1.26 -5.01 117.38 112.63 2kua n GLN 5 Ca -0.02 -2.62 -0.23 0.00 -0.01 0.00 0.00 57.00 54.12 2kua n GLN 5 Cb 0.17 -1.65 -0.07 0.00 0.00 0.00 0.00 30.24 28.69 2kua n GLN 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kua s ASP 6 N -2.00 4.53 0.35 1.08 1.11 -0.56 -5.09 116.67 116.10 2kua s ASP 6 Ca 0.35 -0.81 0.00 0.00 0.18 0.00 0.00 52.55 52.27 2kua s ASP 6 Cb 0.28 -0.70 0.00 0.00 1.07 0.00 0.00 42.92 43.58 2kua s ASP 6 CO 0.08 -0.24 0.00 -0.81 1.18 0.00 0.00 175.17 175.38 2kua n PRO 7 N -1.06 0.28 0.00 8.23 -0.04 -1.26 -4.82 135.00 136.33 2kua n PRO 7 Ca -0.04 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.46 2kua n PRO 7 Cb 0.61 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.25 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 0.00 0.00 1.53 4.77 -1.26 -3.71 117.00 118.33 2kua n LEU 8 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2kua n LEU 8 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2kua n LEU 8 CO 0.00 -0.22 0.35 1.41 -1.33 0.00 0.00 177.39 177.60 2kua n HIS 9 N -1.29 0.00 0.25 -1.77 8.25 -1.26 -1.19 115.22 118.20 2kua n HIS 9 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 2kua n HIS 9 Cb 0.06 -0.20 0.63 0.00 1.12 0.00 0.00 29.99 31.60 2kua n HIS 9 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2kua h GLU 10 N 0.00 0.00 -0.70 -0.41 4.57 -1.91 -2.86 114.58 113.27 2kua h GLU 10 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2kua h GLU 10 Cb 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 2kua h GLU 10 CO 0.00 0.17 0.38 -0.09 -1.18 0.00 0.00 179.01 178.29 2kua h ARG 11 N 0.00 0.66 0.06 1.92 9.65 -1.56 0.13 114.38 125.25 2kua h ARG 11 Ca -0.00 -0.04 -0.24 0.00 -1.10 0.00 0.00 59.98 58.60 2kua h ARG 11 Cb 0.47 -0.15 0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2kua h ARG 11 CO 0.02 0.44 -0.99 1.15 2.80 0.00 0.00 179.97 183.40 2kua h THR 12 N 0.68 1.34 -0.13 0.20 2.02 -0.93 -2.52 112.91 113.58 2kua h THR 12 Ca 0.33 -2.31 0.02 0.00 0.77 0.00 0.00 66.41 65.22 2kua h THR 12 Cb 0.26 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2kua h THR 12 CO -0.21 0.69 -0.01 -0.09 0.37 0.00 0.00 175.52 176.27 2kua h ARG 13 N 0.14 0.03 -0.60 6.66 9.65 -1.29 0.30 114.38 129.27 2kua h ARG 13 Ca -0.14 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 2kua h ARG 13 Cb 1.68 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.23 2kua h ARG 13 CO 0.19 0.02 0.02 0.07 2.80 0.00 0.00 179.97 183.07 2kua h ARG 14 N 0.03 1.03 -0.51 0.20 -0.00 -0.85 0.26 114.38 114.54 2kua h ARG 14 Ca 0.06 -0.31 -0.07 0.00 -0.00 0.00 0.00 59.98 59.66 2kua h ARG 14 Cb 0.08 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 29.93 2kua h ARG 14 CO -0.11 1.00 0.05 1.25 -0.00 0.00 0.00 179.97 182.16 2kua h LEU 15 N 0.95 0.83 -0.05 0.08 5.85 -1.04 0.44 115.31 122.37 2kua h LEU 15 Ca 0.17 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2kua h LEU 15 Cb 0.52 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2kua h LEU 15 CO 0.03 0.90 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.71 2kua h LEU 16 N 0.73 0.31 -0.22 2.25 4.07 -0.26 -2.75 115.31 119.45 2kua h LEU 16 Ca 0.15 -0.66 -0.03 0.00 0.08 0.00 0.00 57.88 57.42 2kua h LEU 16 Cb 0.44 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2kua h LEU 16 CO 0.02 0.92 0.03 -1.28 -1.08 0.00 0.00 178.44 177.04 2kua h SER 17 N -0.28 0.35 -0.97 -0.43 0.87 -0.48 -2.88 113.55 109.73 2kua h SER 17 Ca -0.02 -0.27 0.10 0.00 -1.23 0.00 0.00 61.79 60.37 2kua h SER 17 Cb 0.91 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.70 2kua h SER 17 CO 0.05 0.53 0.62 -0.78 -0.53 0.00 0.00 176.83 176.73 2kua h ASP 18 N 0.16 0.93 -0.32 6.23 1.82 -0.21 -1.95 116.42 123.07 2kua h ASP 18 Ca 0.07 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2kua h ASP 18 Cb 0.34 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 2kua h ASP 18 CO 0.01 0.54 0.21 0.22 -1.61 0.00 0.00 179.24 178.61 2kua h TYR 19 N 1.02 0.40 -0.59 0.28 3.20 -1.30 -2.59 116.97 117.39 2kua h TYR 19 Ca 0.45 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.45 2kua h TYR 19 Cb 0.37 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 2kua h TYR 19 CO -0.00 0.25 0.09 0.82 -1.64 0.00 0.00 178.16 177.68 2kua h ILE 20 N 0.43 0.61 -0.50 1.81 1.08 -1.15 0.20 117.51 120.00 2kua h ILE 20 Ca 0.12 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2kua h ILE 20 Cb -0.05 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 2kua h ILE 20 CO -0.03 0.04 0.27 -0.26 -0.69 0.00 0.00 178.15 177.48 2kua h PHE 21 N 0.22 0.50 0.30 1.37 -1.00 -1.31 -2.17 116.94 114.84 2kua h PHE 21 Ca 0.31 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 2kua h PHE 21 Cb 0.47 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2kua h PHE 21 CO -0.27 0.27 -0.14 0.74 -1.61 0.00 0.00 178.31 177.29 2kua h PHE 22 N 0.54 -0.37 -1.13 -0.55 -1.00 -0.85 -2.78 116.94 110.79 2kua h PHE 22 Ca 0.21 -0.01 0.32 0.00 2.81 0.00 0.00 57.97 61.30 2kua h PHE 22 Cb 0.08 0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 2kua h PHE 22 CO -0.08 -0.09 0.81 0.00 -1.61 0.00 0.00 178.31 177.33 2kua n ALA 24 N -2.72 2.58 -1.83 0.00 0.00 -0.83 -4.86 120.51 112.85 2kua n ALA 24 Ca 0.25 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2kua n ALA 24 Cb 1.17 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2kua n ALA 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kua s ARG 25 N -1.35 3.42 0.68 0.00 1.70 0.38 -4.95 118.95 118.83 2kua s ARG 25 Ca 0.04 1.83 -0.17 0.00 -0.47 0.00 0.00 55.73 56.97 2kua s ARG 25 Cb 0.03 -4.24 0.01 0.00 -0.57 0.00 0.00 34.95 30.18 2kua s ARG 25 CO 0.02 -1.76 1.24 0.39 -1.08 0.00 0.00 175.30 174.10 2kua n GLU 26 N 8.33 0.89 0.00 3.89 4.71 -1.26 -4.87 120.64 132.33 2kua n GLU 26 Ca 0.25 0.36 0.07 0.00 -0.01 0.00 0.00 57.16 57.83 2kua n GLU 26 Cb 0.45 -2.47 0.36 0.00 -1.01 0.00 0.00 31.44 28.77 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 -2.10 0.17 -0.22 3.49 -0.04 -1.26 -1.89 135.00 133.15 2kua n PRO 27 Ca 0.15 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2kua n PRO 27 Cb 0.49 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.68 2kua n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kua n ASP 28 N -1.33 3.56 -3.65 3.54 8.00 -1.26 -4.88 116.55 120.53 2kua n ASP 28 Ca 0.06 -2.00 -0.05 0.00 0.71 0.00 0.00 54.79 53.51 2kua n ASP 28 Cb 0.13 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kua s THR 29 N -1.43 -0.37 0.39 -3.53 -1.32 -0.79 -5.11 115.64 103.48 2kua s THR 29 Ca 0.41 0.01 -0.26 0.00 -1.21 0.00 0.00 61.69 60.64 2kua s THR 29 Cb 0.23 -0.97 -0.09 0.00 -1.51 0.00 0.00 72.50 70.17 2kua s THR 29 CO 0.32 0.00 1.19 -2.16 -2.21 0.00 0.00 174.62 171.77 2kua s PRO 30 N 2.10 4.08 0.40 7.08 0.04 -1.26 -4.10 135.00 143.35 2kua s PRO 30 Ca -0.08 1.90 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 2kua s PRO 30 Cb -0.08 -2.73 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 2kua s PRO 30 CO -0.19 -0.31 0.93 -1.83 0.04 0.00 0.00 177.00 175.64 2kua s GLU 31 N -2.22 4.28 1.05 4.56 1.03 -1.26 -5.03 118.70 121.10 2kua s GLU 31 Ca 0.56 1.13 -0.14 0.00 0.03 0.00 0.00 54.97 56.55 2kua s GLU 31 Cb -0.32 -2.32 0.21 0.00 -0.80 0.00 0.00 34.13 30.90 2kua s GLU 31 CO 0.41 0.05 1.10 -1.25 -1.33 0.00 0.00 175.26 174.23 2kua s PRO 32 N -2.93 0.04 1.02 -4.83 0.04 -1.26 -5.04 135.00 122.04 2kua s PRO 32 Ca 0.59 0.39 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 2kua s PRO 32 Cb -0.11 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 32.93 2kua s PRO 32 CO 0.15 -2.96 1.09 -1.25 0.04 0.00 0.00 177.00 174.07 2kua s PRO 33 N -5.04 0.22 0.74 0.56 0.04 -1.26 -5.02 135.00 125.24 2kua s PRO 33 Ca 0.66 0.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 2kua s PRO 33 Cb -0.17 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2kua s PRO 33 CO 0.57 -2.86 1.10 -1.25 0.04 0.00 0.00 177.00 174.60 2kua s PRO 34 N -4.98 2.39 -0.25 0.56 0.04 -1.26 -5.02 135.00 126.49 2kua s PRO 34 Ca 0.66 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2kua s PRO 34 Cb -0.18 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 2kua s PRO 34 CO 0.58 -1.54 -0.18 -2.37 0.04 0.00 0.00 177.00 173.52 2kua n THR 35 N -3.22 1.53 -4.48 1.26 5.66 -1.26 -4.94 114.28 108.82 2kua n THR 35 Ca 0.09 -0.23 -0.23 0.00 -3.05 0.00 0.00 64.05 60.63 2kua n THR 35 Cb 0.53 -1.98 -0.10 0.00 -1.55 0.00 0.00 70.33 67.23 2kua n THR 35 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kua s SER 36 N -7.15 3.26 0.20 1.09 0.01 -1.26 -5.01 113.70 104.84 2kua s SER 36 Ca -0.35 -1.17 -0.12 0.00 1.31 0.00 0.00 55.95 55.63 2kua s SER 36 Cb 0.11 -0.26 0.26 0.00 0.21 0.00 0.00 66.02 66.34 2kua s SER 36 CO 0.51 -0.23 1.68 0.58 0.41 0.00 0.00 173.24 176.18 2kua h VAL 37 N 2.18 0.56 -0.07 3.43 2.07 -1.95 0.22 116.25 122.68 2kua h VAL 37 Ca -0.41 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2kua h VAL 37 Cb 1.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2kua h VAL 37 CO 0.68 0.03 -0.13 1.05 0.02 0.00 0.00 177.57 179.21 2kua h GLU 38 N 0.14 0.10 -0.18 1.57 9.09 -1.96 -1.35 114.58 121.99 2kua h GLU 38 Ca 0.30 -0.02 -0.18 0.00 0.05 0.00 0.00 59.36 59.50 2kua h GLU 38 Cb 0.47 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2kua h GLU 38 CO -0.47 0.24 -0.64 0.00 0.05 0.00 0.00 179.01 178.19 2kua h ALA 39 N 1.77 0.55 0.00 1.06 0.00 -1.03 -3.05 119.26 118.56 2kua h ALA 39 Ca 0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 2kua h ALA 39 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2kua h ALA 39 CO 0.02 0.70 -0.56 0.00 0.00 0.00 0.00 179.25 179.41 2kua h ALA 40 N 0.82 0.86 -0.35 0.00 0.00 -0.48 -3.05 119.26 117.06 2kua h ALA 40 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2kua h ALA 40 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kua h ALA 40 CO 0.12 0.70 0.03 1.25 0.00 0.00 0.00 179.25 181.36 2kua h LEU 41 N 0.00 0.58 0.48 0.00 7.12 -1.20 -2.45 115.31 119.84 2kua h LEU 41 Ca -0.01 -0.28 -0.02 0.00 0.13 0.00 0.00 57.88 57.70 2kua h LEU 41 Cb 1.15 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2kua h LEU 41 CO 0.07 0.71 -0.23 -0.07 -0.13 0.00 0.00 178.44 178.80 2kua h LEU 42 N 0.42 -0.54 -1.93 2.25 3.38 -1.54 0.46 115.31 117.80 2kua h LEU 42 Ca 0.10 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2kua h LEU 42 Cb 0.40 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2kua h LEU 42 CO 0.01 -0.26 0.46 0.08 0.09 0.00 0.00 178.44 178.82 2kua h ARG 43 N -0.82 0.00 0.01 1.13 -0.00 -1.57 4.06 114.38 117.19 2kua h ARG 43 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.69 2kua h ARG 43 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.51 2kua h ARG 43 CO 0.11 0.00 -1.21 1.03 -0.00 0.00 0.00 179.97 179.90 2kua h SER 44 N 0.00 0.02 0.00 0.08 0.87 -1.02 -3.34 113.55 110.16 2kua h SER 44 Ca 0.17 -0.56 -0.26 0.00 -1.23 0.00 0.00 61.79 59.91 2kua h SER 44 Cb 1.08 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 2kua h SER 44 CO -0.00 1.48 -1.46 1.33 -0.53 0.00 0.00 176.83 177.64 2kua n VAL 45 N -4.40 1.53 -0.28 2.23 0.24 0.16 -4.25 118.33 113.55 2kua n VAL 45 Ca -0.31 -0.08 0.21 0.00 -2.04 0.00 0.00 64.34 62.12 2kua n VAL 45 Cb 0.69 -2.03 0.51 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 0.61 -0.26 3.34 1.03 0.77 0.38 112.91 117.77 2kua h THR 46 Ca -0.40 -0.14 0.03 0.00 -0.01 0.00 0.00 66.41 65.89 2kua h THR 46 Cb 1.33 0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 68.57 2kua h THR 46 CO -0.24 0.07 0.18 0.08 -0.01 0.00 0.00 175.52 175.60 2kua h ARG 47 N 0.40 0.23 0.10 0.00 -0.00 -1.48 -1.60 114.38 112.03 2kua h ARG 47 Ca 0.53 -0.01 -0.26 0.00 -0.00 0.00 0.00 59.98 60.23 2kua h ARG 47 Cb 1.35 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2kua h ARG 47 CO -0.22 0.15 -1.20 -0.56 -0.00 0.00 0.00 179.97 178.14 2kua h GLN 48 N 0.24 0.21 -0.20 0.08 -0.00 -0.44 -2.85 115.11 112.15 2kua h GLN 48 Ca 0.11 -0.36 -0.02 0.00 -0.00 0.00 0.00 58.65 58.38 2kua h GLN 48 Cb 0.14 0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 2kua h GLN 48 CO -0.02 1.16 0.02 0.82 -0.00 0.00 0.00 178.83 180.81 2kua h ILE 49 N 0.06 1.12 0.00 1.86 1.08 -0.85 -2.35 117.51 118.43 2kua h ILE 49 Ca -0.11 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 2kua h ILE 49 Cb 1.93 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 2kua h ILE 49 CO 0.19 0.15 -0.05 1.56 -0.69 0.00 0.00 178.15 179.30 2kua h GLN 50 N 0.28 0.00 -0.09 2.37 4.20 -1.50 -1.06 115.11 119.30 2kua h GLN 50 Ca 0.07 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.80 2kua h GLN 50 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2kua h GLN 50 CO 0.00 0.00 0.73 -0.56 -0.67 0.00 0.00 178.83 178.33 2kua h GLN 51 N -0.81 0.00 0.02 1.46 3.07 -1.53 5.24 115.11 122.56 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 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.56 2kua h GLN 51 CO 0.00 0.00 -2.32 -0.85 0.09 0.00 0.00 178.83 175.75 2kua n GLU 52 N -2.76 0.65 -0.13 0.06 0.28 -0.89 -4.64 120.64 113.22 2kua n GLU 52 Ca 0.01 0.23 -0.21 0.00 -0.16 0.00 0.00 57.16 57.03 2kua n GLU 52 Cb 0.78 -1.56 -0.11 0.00 1.43 0.00 0.00 31.44 31.98 2kua n GLU 52 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kua n HIS 53 N -3.61 0.00 -0.34 -1.84 8.25 0.10 -4.40 115.22 113.39 2kua n HIS 53 Ca -0.44 0.00 0.31 0.00 -0.26 0.00 0.00 57.72 57.32 2kua n HIS 53 Cb 0.96 -0.94 0.47 0.00 1.12 0.00 0.00 29.99 31.60 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 -3.59 0.01 -0.32 -0.41 -0.00 1.67 0.84 117.38 115.58 2kua n GLN 54 Ca -0.47 0.81 0.15 0.00 -0.00 0.00 0.00 57.00 57.49 2kua n GLN 54 Cb 0.92 -1.94 0.33 0.00 -0.00 0.00 0.00 30.24 29.56 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 0.47 0.08 2.61 5.08 -1.76 0.14 114.58 121.20 2kua h GLU 55 Ca 0.54 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.51 2kua h GLU 55 Cb 2.56 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.68 2kua h GLU 55 CO -0.01 0.31 -2.04 1.19 -1.00 0.00 0.00 179.01 177.47 2kua n PHE 56 N -4.97 0.95 0.18 4.33 3.01 0.25 -3.52 117.46 117.68 2kua n PHE 56 Ca 0.24 0.22 -0.14 0.00 1.01 0.00 0.00 57.45 58.78 2kua n PHE 56 Cb 0.68 -1.12 -0.08 0.00 -0.01 0.00 0.00 39.48 38.95 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 -0.09 -1.21 -0.86 1.38 0.04 -1.33 -1.60 116.94 113.27 2kua h PHE 57 Ca -0.46 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.37 2kua h PHE 57 Cb 1.92 0.49 -0.05 0.00 2.20 0.00 0.00 35.95 40.51 2kua h PHE 57 CO 0.06 -0.53 0.55 1.03 -0.60 0.00 0.00 178.31 178.83 2kua h SER 58 N -0.75 0.92 -0.93 2.17 0.87 -0.96 0.25 113.55 115.12 2kua h SER 58 Ca -0.03 -0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.71 2kua h SER 58 Cb 0.68 -0.20 -0.11 0.00 -0.44 0.00 0.00 62.40 62.34 2kua h SER 58 CO -0.13 0.62 0.52 -1.28 -0.53 0.00 0.00 176.83 176.03 2kua h SER 59 N 1.07 0.63 0.15 6.23 0.87 -1.50 -2.08 113.55 118.92 2kua h SER 59 Ca 0.35 0.10 -0.30 0.00 -1.23 0.00 0.00 61.79 60.72 2kua h SER 59 Cb 0.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2kua h SER 59 CO -0.12 0.21 -1.46 0.15 -0.53 0.00 0.00 176.83 175.07 2kua h PHE 60 N 0.66 0.59 -0.97 2.24 3.04 -0.56 -3.35 116.94 118.58 2kua h PHE 60 Ca 0.54 -0.43 0.32 0.00 3.98 0.00 0.00 57.97 62.38 2kua h PHE 60 Cb 0.85 -0.02 -0.17 0.00 2.56 0.00 0.00 35.95 39.16 2kua h PHE 60 CO -0.05 1.57 0.32 0.00 -2.02 0.00 0.00 178.31 178.12 2kua n GLU 62 N -5.30 1.53 -0.05 0.00 1.02 -0.92 -2.63 120.64 114.29 2kua n GLU 62 Ca 0.29 -1.18 -0.10 0.00 -0.02 0.00 0.00 57.16 56.15 2kua n GLU 62 Cb 0.96 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.88 2kua n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kua n SER 63 N 0.11 1.20 -0.00 1.62 2.88 0.52 -4.86 113.62 115.09 2kua n SER 63 Ca 0.23 0.20 0.02 0.00 -1.33 0.00 0.00 58.87 57.98 2kua n SER 63 Cb 0.82 -0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 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 -3.77 0.60 -0.67 -1.46 5.12 -1.24 -5.01 116.66 110.23 2kua n ARG 64 Ca -0.18 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 2kua n ARG 64 Cb 0.50 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 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 2.31 0.66 1.26 -0.13 0.00 -1.08 -4.93 105.19 103.28 2kua n GLY 65 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.08 3.55 -0.35 1.61 3.02 -1.26 -4.57 115.26 117.34 2kua n ASN 66 Ca 0.00 -2.30 0.28 0.00 -0.03 0.00 0.00 54.58 52.53 2kua n ASN 66 Cb 0.00 -0.65 0.46 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.41 -0.02 -0.04 3.52 -4.01 -1.26 0.22 116.66 115.48 2kua n ARG 67 Ca 0.09 0.77 -0.13 0.00 -1.04 0.00 0.00 57.85 57.54 2kua n ARG 67 Cb 0.65 -1.58 -0.11 0.00 -3.04 0.00 0.00 32.46 28.38 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2kua h LEU 68 N 0.00 -0.02 -1.91 2.89 5.85 -1.93 -2.63 115.31 117.56 2kua h LEU 68 Ca 0.57 -0.72 0.26 0.00 0.84 0.00 0.00 57.88 58.83 2kua h LEU 68 Cb 1.99 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.98 2kua h LEU 68 CO -0.21 0.74 0.66 -0.33 -0.34 0.00 0.00 178.44 178.96 2kua h GLU 69 N -0.81 0.06 0.15 1.25 3.07 0.23 0.25 114.58 118.78 2kua h GLU 69 Ca -0.00 -0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.56 2kua h GLU 69 Cb 0.74 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2kua h GLU 69 CO 0.00 0.04 -1.33 -0.07 -1.40 0.00 0.00 179.01 176.26 2kua h LEU 70 N 0.07 0.51 -0.32 1.33 3.38 -1.37 -2.20 115.31 116.70 2kua h LEU 70 Ca 0.45 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2kua h LEU 70 Cb 1.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2kua h LEU 70 CO -0.04 1.44 0.13 1.62 0.09 0.00 0.00 178.44 181.68 2kua h VAL 71 N 0.09 1.18 -0.15 1.22 3.04 -0.18 0.10 116.25 121.56 2kua h VAL 71 Ca -0.17 -0.54 -0.22 0.00 -1.01 0.00 0.00 66.70 64.76 2kua h VAL 71 Cb 2.02 0.94 0.01 0.00 -2.01 0.00 0.00 31.29 32.25 2kua h VAL 71 CO 0.21 0.19 -0.76 0.07 -1.01 0.00 0.00 177.57 176.27 2kua h LYS 72 N 0.37 0.73 0.02 4.17 2.10 -1.35 -2.83 116.57 119.78 2kua h LYS 72 Ca 0.11 -0.59 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2kua h LYS 72 Cb 0.17 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2kua h LYS 72 CO -0.01 1.20 -0.01 1.96 -2.00 0.00 0.00 179.45 180.60 2kua h GLN 73 N 0.50 -0.02 0.32 0.07 7.50 -1.29 -2.54 115.11 119.66 2kua h GLN 73 Ca -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 2kua h GLN 73 Cb 1.38 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.90 2kua h GLN 73 CO 0.15 0.07 -0.30 0.52 -1.50 0.00 0.00 178.83 177.78 2kua h MET 74 N -0.11 -0.62 -0.25 1.46 2.86 -1.04 -0.92 114.93 116.31 2kua h MET 74 Ca -0.00 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 2kua h MET 74 Cb 0.10 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2kua h MET 74 CO 0.00 -0.42 0.47 0.00 1.06 0.00 0.00 176.91 178.03 2kua h ALA 75 N -0.10 1.83 0.00 6.32 0.00 -1.47 0.77 119.26 126.61 2kua h ALA 75 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2kua h ALA 75 Cb 0.58 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kua h ALA 75 CO -0.05 -0.60 -0.94 0.22 0.00 0.00 0.00 179.25 177.88 2kua h ASP 76 N 0.00 0.00 0.02 0.00 1.82 -0.74 -1.21 116.42 116.31 2kua h ASP 76 Ca 0.12 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 2kua h ASP 76 Cb 1.07 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 2kua h ASP 76 CO -0.00 0.69 -0.56 0.07 -1.61 0.00 0.00 179.24 177.82 2kua h LYS 77 N 0.00 0.05 0.00 0.28 2.10 0.11 -3.41 116.57 115.69 2kua h LYS 77 Ca -0.07 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 2kua h LYS 77 Cb 1.58 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.94 2kua h LYS 77 CO 0.08 1.04 -0.11 1.37 -2.00 0.00 0.00 179.45 179.83 2kua h LEU 78 N -0.89 0.00-10.08 7.07 -0.00 -1.21 -3.47 115.31 106.73 2kua h LEU 78 Ca -0.14 -0.23 -0.51 0.00 -0.00 0.00 0.00 57.88 57.00 2kua h LEU 78 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2kua h LEU 78 CO -0.04 0.67 -0.03 -0.76 -0.00 0.00 0.00 178.44 178.28 2kua s LEU 79 N -8.42 4.01 0.00 0.17 2.01 -0.46 -4.82 118.68 111.18 2kua s LEU 79 Ca -0.07 0.95 0.00 0.00 0.01 0.00 0.00 54.13 55.02 2kua s LEU 79 Cb -0.00 -3.77 0.00 0.00 0.01 0.00 0.00 46.19 42.43 2kua s LEU 79 CO 0.19 -0.23 0.00 -0.24 1.01 0.00 0.00 176.35 177.08 2kua n SER 80 N -0.80 0.00 -0.12 2.29 2.88 -1.26 -3.83 113.62 112.79 2kua n SER 80 Ca 0.01 -0.70 -0.22 0.00 -1.33 0.00 0.00 58.87 56.63 2kua n SER 80 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 2kua n SER 80 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kua n LYS 81 N 0.00 0.55 -0.17 -1.46 2.85 -1.26 -4.47 118.16 114.20 2kua n LYS 81 Ca 0.00 0.23 0.05 0.00 -1.05 0.00 0.00 58.31 57.55 2kua n LYS 81 Cb 0.00 -1.44 0.14 0.00 -0.65 0.00 0.00 35.03 33.09 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 -4.29 1.78 -4.58 -5.58 -0.08 -1.26 -4.82 116.55 97.71 2kua n ASP 82 Ca -0.39 -2.01 -0.35 0.00 -1.51 0.00 0.00 54.79 50.54 2kua n ASP 82 Cb 0.74 -0.23 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 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 -1.57 3.88 -0.63 -0.67 1.11 -1.26 -5.00 119.66 115.52 2kua s GLN 83 Ca 0.22 -0.39 -0.25 0.00 0.01 0.00 0.00 55.36 54.95 2kua s GLN 83 Cb 0.11 -3.21 -0.21 0.00 -1.01 0.00 0.00 33.01 28.70 2kua s GLN 83 CO 0.15 0.18 1.85 -0.40 0.01 0.00 0.00 175.29 177.07 2kua n ASP 84 N 3.81 2.12 -4.68 5.90 5.75 -1.26 -4.59 116.55 123.59 2kua n ASP 84 Ca -0.16 -2.62 -0.42 0.00 -0.01 0.00 0.00 54.79 51.57 2kua n ASP 84 Cb 0.52 -1.06 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 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 9.44 2.58 -3.47 2.11 -1.74 -1.26 -4.98 117.46 120.14 2kua n PHE 85 Ca 0.48 -0.22 -0.26 0.00 -0.56 0.00 0.00 57.45 56.89 2kua n PHE 85 Cb 0.42 -2.75 -0.02 0.00 1.52 0.00 0.00 39.48 38.64 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 3.35 6.36 0.58 5.98 0.15 -1.26 -4.96 113.70 123.91 2kua s SER 86 Ca 0.85 0.50 0.31 0.00 0.70 0.00 0.00 55.95 58.31 2kua s SER 86 Cb -0.47 -2.05 1.41 0.00 -1.71 0.00 0.00 66.02 63.19 2kua s SER 86 CO 0.39 -0.19 1.77 -0.50 1.20 0.00 0.00 173.24 175.91 2kua h TRP 87 N 1.36 0.00 -0.34 3.44 -0.00 -2.00 0.58 115.95 118.99 2kua h TRP 87 Ca -0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.33 2kua h TRP 87 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.35 2kua h TRP 87 CO 0.54 0.00 -0.09 1.03 -0.00 0.00 0.00 178.44 179.92 2kua h SER 88 N 0.00 0.55 0.19 -3.49 0.87 -2.00 -2.74 113.55 106.93 2kua h SER 88 Ca 0.38 -0.14 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 2kua h SER 88 Cb 1.83 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.65 2kua h SER 88 CO -0.00 0.68 -0.89 1.56 -0.53 0.00 0.00 176.83 177.65 2kua h GLN 89 N 0.53 0.52 0.42 2.24 1.08 -0.21 -2.63 115.11 117.06 2kua h GLN 89 Ca 0.10 -0.51 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 2kua h GLN 89 Cb 0.47 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2kua h GLN 89 CO 0.03 1.14 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.65 2kua h LEU 90 N 0.32 -0.85 -1.46 1.46 -0.00 -1.26 -0.74 115.31 112.79 2kua h LEU 90 Ca -0.07 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 2kua h LEU 90 Cb 1.52 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 42.44 2kua h LEU 90 CO 0.16 -0.48 -0.06 -0.37 -0.00 0.00 0.00 178.44 177.69 2kua h VAL 91 N -0.73 1.15 -0.63 1.22 -1.51 -1.59 -2.57 116.25 111.59 2kua h VAL 91 Ca -0.04 -0.65 -0.04 0.00 -1.23 0.00 0.00 66.70 64.74 2kua h VAL 91 Cb 0.63 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 2kua h VAL 91 CO -0.00 0.21 0.23 -0.03 -1.23 0.00 0.00 177.57 176.74 2kua h MET 92 N 0.26 0.95 -0.73 5.19 -1.53 -1.04 -1.98 114.93 116.05 2kua h MET 92 Ca 0.06 -0.18 -0.03 0.00 -3.44 0.00 0.00 59.70 56.10 2kua h MET 92 Cb 0.29 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.16 2kua h MET 92 CO 0.01 0.82 0.34 1.25 0.14 0.00 0.00 176.91 179.47 2kua h LEU 93 N 0.88 0.95 -0.09 3.39 7.12 -0.74 -1.88 115.31 124.95 2kua h LEU 93 Ca 0.21 -0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2kua h LEU 93 Cb 0.24 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2kua h LEU 93 CO -0.01 0.81 0.01 -0.07 -0.13 0.00 0.00 178.44 179.05 2kua h LEU 94 N 1.04 0.14 -0.01 2.25 3.38 -1.32 -2.67 115.31 118.11 2kua h LEU 94 Ca 0.25 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2kua h LEU 94 Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2kua h LEU 94 CO -0.03 0.38 -0.13 0.00 0.09 0.00 0.00 178.44 178.75 2kua h ALA 95 N 0.76 -0.14 -0.03 1.53 0.00 -1.17 -2.78 119.26 117.43 2kua h ALA 95 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kua h ALA 95 Cb 0.30 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2kua h ALA 95 CO 0.00 -0.62 -0.53 0.35 0.00 0.00 0.00 179.25 178.45 2kua h PHE 96 N -0.22 -1.54 -0.91 0.00 3.57 -1.34 -1.43 116.94 115.06 2kua h PHE 96 Ca 0.05 0.05 0.18 0.00 3.53 0.00 0.00 57.97 61.78 2kua h PHE 96 Cb 0.29 0.68 -0.17 0.00 2.79 0.00 0.00 35.95 39.53 2kua h PHE 96 CO -0.20 -0.56 -0.23 0.00 -2.23 0.00 0.00 178.31 175.08 2kua h ALA 97 N -0.35 0.58 0.00 2.41 0.00 -1.34 1.39 119.26 121.95 2kua h ALA 97 Ca 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2kua h ALA 97 Cb 0.71 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2kua h ALA 97 CO -0.37 -0.40 -0.11 0.78 0.00 0.00 0.00 179.25 179.15 2kua h GLY 98 N -0.00 0.00 2.00 0.00 0.00 -1.06 -1.72 103.07 102.29 2kua h GLY 98 Ca 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.67 2kua h GLY 98 CO -0.94 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 175.17 2kua h THR 99 N 0.00 0.80 0.12 4.70 1.03 0.28 -3.25 112.91 116.59 2kua h THR 99 Ca -0.00 -1.95 -0.29 0.00 -0.01 0.00 0.00 66.41 64.16 2kua h THR 99 Cb 0.28 2.26 -0.00 0.00 -1.07 0.00 0.00 68.15 69.62 2kua h THR 99 CO 0.01 0.43 -1.39 -0.07 -0.01 0.00 0.00 175.52 174.49 2kua h LEU 100 N 0.00 0.39 -4.94 0.00 3.38 -0.33 -3.42 115.31 110.38 2kua h LEU 100 Ca -0.00 -0.47 -0.31 0.00 0.09 0.00 0.00 57.88 57.19 2kua h LEU 100 Cb 1.23 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2kua h LEU 100 CO 0.06 1.38 1.09 0.80 0.09 0.00 0.00 178.44 181.86 2kua n MET 101 N -3.48 0.00 -2.16 1.13 1.56 -0.88 -4.82 117.12 108.47 2kua n MET 101 Ca -0.12 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 56.97 2kua n MET 101 Cb 1.03 -0.92 0.01 0.00 2.15 0.00 0.00 33.22 35.49 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 5.37 5.76 -0.15 6.12 6.03 -1.26 -4.93 114.94 131.87 2kua s ASN 102 Ca 0.84 1.98 -0.09 0.00 -1.03 0.00 0.00 52.86 54.56 2kua s ASN 102 Cb -0.77 -2.56 0.05 0.00 -3.03 0.00 0.00 41.25 34.95 2kua s ASN 102 CO 0.30 -1.19 0.38 -1.10 -2.03 0.00 0.00 177.10 173.47 2kua s GLN 103 N -3.66 0.37 -0.35 3.55 -1.52 -1.26 -4.52 119.66 112.26 2kua s GLN 103 Ca 0.68 0.70 0.13 0.00 -1.95 0.00 0.00 55.36 54.92 2kua s GLN 103 Cb -0.19 -0.00 0.42 0.00 -0.22 0.00 0.00 33.01 33.02 2kua s GLN 103 CO 0.31 -0.14 1.32 0.41 -0.25 0.00 0.00 175.29 176.94 2kua n GLY 104 N 4.03 1.62 0.00 3.09 0.00 -1.26 -5.14 105.19 107.53 2kua n GLY 104 Ca -0.22 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.79 0.30 0.02 1.61 -0.04 -1.26 -5.08 135.00 129.76 2kua n PRO 105 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2kua n PRO 105 Cb 0.85 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.31 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 -1.20 -0.15 -3.40 0.54 4.11 -1.26 -4.99 117.16 110.81 2kua n TYR 106 Ca 0.00 0.03 -0.26 0.00 -0.00 0.00 0.00 57.90 57.67 2kua n TYR 106 Cb 0.00 0.12 -0.09 0.00 -0.00 0.00 0.00 39.34 39.37 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 -2.76 1.32 -0.94 -3.48 0.00 -1.26 -4.99 117.12 105.01 2kua n MET 107 Ca 0.00 -3.83 -0.25 0.00 -0.00 0.00 0.00 57.70 53.61 2kua n MET 107 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 33.22 31.41 2kua n MET 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua n ALA 108 N 1.59 5.78 0.01 -5.12 0.00 -1.26 -3.83 120.51 117.67 2kua n ALA 108 Ca 0.25 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.29 2kua n ALA 108 Cb 0.46 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.92 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 3.67 0.11 -3.17 0.00 3.14 -1.26 -4.90 118.33 115.93 2kua n VAL 109 Ca 0.54 0.04 -0.44 0.00 -2.96 0.00 0.00 64.34 61.51 2kua n VAL 109 Cb 0.28 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 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 -2.99 3.74 -0.28 1.45 5.02 -1.25 -4.60 118.16 119.26 2kua n LYS 110 Ca 0.00 -4.36 0.02 0.00 -2.02 0.00 0.00 58.31 51.95 2kua n LYS 110 Cb 0.39 -2.62 0.03 0.00 -0.02 0.00 0.00 35.03 32.81 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 2.81 0.52 -2.81 1.97 1.13 -1.26 -4.99 117.38 114.74 2kua n GLN 111 Ca 0.27 -1.30 -0.14 0.00 -1.94 0.00 0.00 57.00 53.88 2kua n GLN 111 Cb 0.38 -0.76 -0.03 0.00 0.11 0.00 0.00 30.24 29.94 2kua n GLN 111 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2kua n LYS 112 N -0.36 -1.75 -3.88 -1.09 3.00 -1.26 -0.13 118.16 112.69 2kua n LYS 112 Ca 0.04 0.05 -0.31 0.00 -0.00 0.00 0.00 58.31 58.08 2kua n LYS 112 Cb 0.62 -3.48 -0.07 0.00 0.00 0.00 0.00 35.03 32.10 2kua n LYS 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kua n ARG 113 N -2.47 -0.81 -0.10 1.64 5.12 -1.26 -4.78 116.66 114.00 2kua n ARG 113 Ca 0.04 0.10 -0.16 0.00 -1.93 0.00 0.00 57.85 55.90 2kua n ARG 113 Cb 0.36 -3.48 -0.07 0.00 -1.16 0.00 0.00 32.46 28.11 2kua n ARG 113 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2kua n ASP 114 N -1.83 1.87 -0.01 0.55 5.68 0.82 -4.61 116.55 119.02 2kua n ASP 114 Ca 0.02 0.47 0.10 0.00 -0.50 0.00 0.00 54.79 54.87 2kua n ASP 114 Cb 0.39 -0.89 -0.14 0.00 -1.14 0.00 0.00 41.12 39.34 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kua n LEU 115 N -4.47 0.28 -3.96 -2.12 -0.00 -1.26 -5.00 117.00 100.47 2kua n LEU 115 Ca -0.26 -0.15 -0.26 0.00 -0.00 0.00 0.00 56.01 55.34 2kua n LEU 115 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.97 2kua n LEU 115 CO 0.14 0.07 -0.19 0.61 -0.00 0.00 0.00 177.39 178.02 2kua n GLY 116 N 1.40 -0.26 4.37 1.47 0.00 -1.26 -1.22 105.19 109.69 2kua n GLY 116 Ca -0.01 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 0.18 -1.33 1.61 6.94 -1.26 -4.75 115.26 113.70 2kua n ASN 117 Ca -0.26 -1.27 -0.03 0.00 -0.02 0.00 0.00 54.58 53.01 2kua n ASN 117 Cb 0.66 -1.63 0.01 0.00 -2.36 0.00 0.00 39.78 36.47 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 -4.45 1.13 0.00 -3.83 1.85 -0.36 -4.29 116.66 106.72 2kua n ARG 118 Ca -0.21 -0.27 -0.00 0.00 -1.00 0.00 0.00 57.85 56.37 2kua n ARG 118 Cb 0.63 -1.11 -0.00 0.00 -1.05 0.00 0.00 32.46 30.94 2kua n ARG 118 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 2kua h VAL 119 N 0.52 0.00 0.11 8.89 3.04 -1.86 -3.26 116.25 123.68 2kua h VAL 119 Ca 0.05 -0.10 -0.32 0.00 -1.01 0.00 0.00 66.70 65.32 2kua h VAL 119 Cb 1.08 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2kua h VAL 119 CO 0.12 0.00 -1.67 0.16 -1.01 0.00 0.00 177.57 175.16 2kua h ILE 120 N -0.12 0.98 -0.83 3.17 -2.65 -1.94 -3.28 117.51 112.85 2kua h ILE 120 Ca -0.00 -2.67 0.03 0.00 1.03 0.00 0.00 64.86 63.25 2kua h ILE 120 Cb 0.01 2.65 -0.05 0.00 -2.05 0.00 0.00 36.82 37.39 2kua h ILE 120 CO 0.00 0.79 0.53 1.62 0.03 0.00 0.00 178.15 181.13 2kua h VAL 121 N 0.06 1.15 -0.12 0.16 3.04 -1.80 0.47 116.25 119.21 2kua h VAL 121 Ca -0.29 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 2kua h VAL 121 Cb 2.02 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 2kua h VAL 121 CO 0.13 0.19 0.03 0.00 -1.01 0.00 0.00 177.57 176.92 2kua h THR 122 N 1.05 1.19 -0.35 3.17 1.03 -1.70 0.97 112.91 118.27 2kua h THR 122 Ca 0.32 -0.59 -0.08 0.00 -0.01 0.00 0.00 66.41 66.06 2kua h THR 122 Cb -0.02 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.40 2kua h THR 122 CO -0.10 0.17 -0.08 0.08 -0.01 0.00 0.00 175.52 175.58 2kua h ARG 123 N 0.00 0.67 0.00 0.00 0.11 -1.55 -1.68 114.38 111.93 2kua h ARG 123 Ca 0.04 -0.25 -0.12 0.00 0.10 0.00 0.00 59.98 59.75 2kua h ARG 123 Cb 0.24 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2kua h ARG 123 CO -0.00 0.83 -0.55 -0.44 0.10 0.00 0.00 179.97 179.91 2kua h ASP 124 N 0.46 0.00 -0.28 0.08 3.32 -0.02 -3.01 116.42 116.96 2kua h ASP 124 Ca 0.09 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 2kua h ASP 124 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2kua h ASP 124 CO 0.03 0.55 -0.53 0.00 -1.72 0.00 0.00 179.24 177.58 2kua h LEU 127 N -0.31 -0.41 -0.11 0.00 3.38 -1.58 0.96 115.31 117.25 2kua h LEU 127 Ca -0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2kua h LEU 127 Cb 0.25 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2kua h LEU 127 CO 0.03 -0.12 -0.12 -0.29 0.09 0.00 0.00 178.44 178.03 2kua h ILE 128 N -0.70 0.67 -0.09 1.22 2.10 -1.20 -2.18 117.51 117.33 2kua h ILE 128 Ca -0.05 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.77 2kua h ILE 128 Cb 0.49 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 2kua h ILE 128 CO 0.08 0.00 -0.47 0.58 -1.08 0.00 0.00 178.15 177.26 2kua h VAL 129 N -0.15 1.34 -0.79 2.19 2.07 -0.56 -3.08 116.25 117.26 2kua h VAL 129 Ca 0.08 -1.67 0.17 0.00 0.82 0.00 0.00 66.70 66.10 2kua h VAL 129 Cb 0.27 1.79 -0.11 0.00 -1.52 0.00 0.00 31.29 31.72 2kua h VAL 129 CO -0.20 0.49 0.27 -1.13 0.02 0.00 0.00 177.57 177.03 2kua h ASN 130 N 0.18 0.18 0.22 0.57 -1.24 0.16 0.64 115.58 116.31 2kua h ASN 130 Ca 0.01 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2kua h ASN 130 Cb 0.90 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.10 2kua h ASN 130 CO 0.07 0.02 -0.11 0.15 -1.29 0.00 0.00 177.43 176.28 2kua h PHE 131 N 0.36 -0.28 -0.01 0.67 3.57 -1.44 -2.98 116.94 116.83 2kua h PHE 131 Ca 0.45 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.98 2kua h PHE 131 Cb 0.77 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2kua h PHE 131 CO -0.20 0.09 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.58 2kua h LEU 132 N -0.90 -0.98 -0.62 0.59 3.38 -1.36 0.39 115.31 115.81 2kua h LEU 132 Ca -0.03 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2kua h LEU 132 Cb 0.50 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 2kua h LEU 132 CO 0.05 -0.38 -0.26 0.22 0.09 0.00 0.00 178.44 178.16 2kua h TYR 133 N -0.47 -0.67 0.00 1.13 3.20 0.16 0.39 116.97 120.71 2kua h TYR 133 Ca 0.06 0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2kua h TYR 133 Cb 0.56 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2kua h TYR 133 CO -0.35 -0.34 -0.36 -2.95 -1.64 0.00 0.00 178.16 172.52 2kua h ASN 134 N -0.10 0.00 0.20 -2.11 7.08 -1.26 0.70 115.58 120.10 2kua h ASN 134 Ca 0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.49 2kua h ASN 134 Cb 0.53 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.75 2kua h ASN 134 CO -0.68 0.36 -0.19 0.25 -2.08 0.00 0.00 177.43 175.09 2kua h LEU 135 N 0.00 -0.50 0.03 6.14 7.12 0.41 -1.36 115.31 127.14 2kua h LEU 135 Ca -0.00 0.05 -0.30 0.00 0.13 0.00 0.00 57.88 57.75 2kua h LEU 135 Cb 0.69 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.95 2kua h LEU 135 CO 0.05 -0.29 -1.70 0.17 -0.13 0.00 0.00 178.44 176.54 2kua h LEU 136 N -0.42 0.09 -1.84 2.25 8.10 -1.30 -3.33 115.31 118.86 2kua h LEU 136 Ca -0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 57.88 57.76 2kua h LEU 136 Cb 0.39 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.56 2kua h LEU 136 CO -0.04 1.16 0.05 0.80 -4.11 0.00 0.00 178.44 176.30 2kua n MET 137 N -3.16 1.51 -2.19 0.17 1.56 0.24 -0.64 117.12 114.62 2kua n MET 137 Ca -0.18 -0.56 -0.27 0.00 -0.27 0.00 0.00 57.70 56.41 2kua n MET 137 Cb 1.04 -1.46 0.05 0.00 2.15 0.00 0.00 33.22 35.00 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 0.16 1.63 0.09 -5.12 0.00 -0.52 -4.71 107.32 98.85 2kua s GLY 138 Ca 0.10 -0.68 -0.28 0.00 0.00 0.00 0.00 44.72 43.86 2kua s GLY 138 CO 0.03 -0.33 1.68 3.21 0.00 0.00 0.00 173.10 177.68 2kua h ARG 139 N -0.47 -0.43 0.14 2.90 -0.00 -1.90 0.82 114.38 115.43 2kua h ARG 139 Ca -0.45 0.03 -0.30 0.00 -0.50 0.00 0.00 59.98 58.76 2kua h ARG 139 Cb 1.28 0.10 0.03 0.00 0.00 0.00 0.00 29.97 31.38 2kua h ARG 139 CO 0.62 -0.29 -1.28 0.07 0.00 0.00 0.00 179.97 179.09 2kua h ARG 140 N -0.45 0.59 0.71 0.04 -0.00 -1.95 -2.81 114.38 110.50 2kua h ARG 140 Ca -0.03 -0.83 -0.03 0.00 -0.00 0.00 0.00 59.98 59.09 2kua h ARG 140 Cb 0.37 0.28 0.01 0.00 -0.00 0.00 0.00 29.97 30.63 2kua h ARG 140 CO 0.03 1.38 -0.34 0.45 -0.00 0.00 0.00 179.97 181.49 2kua h HIS 141 N 0.25 -0.88 -0.56 4.08 -0.00 -1.81 -2.75 115.15 113.48 2kua h HIS 141 Ca -0.20 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.26 2kua h HIS 141 Cb 1.95 0.29 -0.08 0.00 -0.00 0.00 0.00 27.41 29.57 2kua h HIS 141 CO 0.11 -0.55 0.09 -0.09 -0.00 0.00 0.00 177.93 177.50 2kua h ARG 142 N -1.25 0.22 -0.92 2.45 1.12 0.31 0.25 114.38 116.56 2kua h ARG 142 Ca -0.10 -0.01 0.18 0.00 -1.11 0.00 0.00 59.98 58.94 2kua h ARG 142 Cb 0.73 -0.05 -0.11 0.00 -0.01 0.00 0.00 29.97 30.53 2kua h ARG 142 CO 0.16 0.14 0.50 0.00 -3.11 0.00 0.00 179.97 177.66 2kua h ALA 143 N 1.45 1.46 0.01 2.80 0.00 -1.53 -1.74 119.26 121.72 2kua h ALA 143 Ca 0.29 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2kua h ALA 143 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kua h ALA 143 CO -0.39 -0.13 -0.14 -0.09 0.00 0.00 0.00 179.25 178.51 2kua h ARG 144 N 0.63 0.08 -0.93 0.00 1.12 -0.80 -2.20 114.38 112.28 2kua h ARG 144 Ca 0.53 -0.09 0.27 0.00 -1.11 0.00 0.00 59.98 59.57 2kua h ARG 144 Cb 0.83 0.03 -0.16 0.00 -0.01 0.00 0.00 29.97 30.67 2kua h ARG 144 CO -0.40 0.91 0.23 1.25 -3.11 0.00 0.00 179.97 178.85 2kua h LEU 145 N -0.72 -0.07 0.03 3.80 7.12 0.04 0.57 115.31 126.07 2kua h LEU 145 Ca -0.02 0.23 -0.23 0.00 0.13 0.00 0.00 57.88 57.99 2kua h LEU 145 Cb 0.97 0.32 -0.02 0.00 -0.53 0.00 0.00 40.66 41.39 2kua h LEU 145 CO 0.03 -0.24 -1.11 1.05 -0.13 0.00 0.00 178.44 178.03 2kua h GLU 146 N 0.13 0.06 0.00 1.25 4.11 -1.42 -1.88 114.58 116.83 2kua h GLU 146 Ca 0.61 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.94 2kua h GLU 146 Cb 1.30 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2kua h GLU 146 CO -0.74 1.01 0.13 0.00 0.07 0.00 0.00 179.01 179.48 2kua n ALA 147 N -2.41 0.87 -1.12 1.06 0.00 0.19 0.16 120.51 119.26 2kua n ALA 147 Ca -0.03 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.62 2kua n ALA 147 Cb 0.97 -1.10 0.24 0.00 0.00 0.00 0.00 19.45 19.56 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 4.08 0.00 0.00 -0.00 -0.93 -4.89 117.00 113.07 2kua n LEU 148 Ca -0.01 -3.23 0.00 0.00 -0.00 0.00 0.00 56.01 52.77 2kua n LEU 148 Cb 0.15 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 2kua n LEU 148 CO 0.08 0.83 0.00 0.61 -0.00 0.00 0.00 177.39 178.92 2kua n GLY 149 N -0.68 0.55 3.79 1.47 0.00 0.12 -4.53 105.19 105.92 2kua n GLY 149 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.34 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 0.55 -0.02 0.00 -0.71 -1.05 105.19 101.18 2kua n GLY 150 Ca 0.00 -0.59 0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.88 0.00 -0.05 1.61 7.02 -1.26 0.16 117.44 123.04 2kua n TRP 151 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 2kua n TRP 151 Cb 0.19 -0.33 -0.05 0.00 -2.42 0.00 0.00 31.31 28.71 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 0.24 0.46 -0.99 1.82 -1.86 -1.77 116.42 114.32 2kua h ASP 152 Ca 0.63 -0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 57.04 2kua h ASP 152 Cb 3.00 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 42.93 2kua h ASP 152 CO -0.01 0.31 -0.44 1.23 -1.61 0.00 0.00 179.24 178.72 2kua h GLY 153 N 0.16 0.00 0.63 -0.78 0.00 0.32 -2.93 103.07 100.47 2kua h GLY 153 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2kua h GLY 153 CO -0.01 0.00 -0.20 -2.75 0.00 0.00 0.00 176.54 173.58 2kua h PHE 154 N 0.00 -0.53 -1.00 5.60 3.57 -1.25 0.35 116.94 123.68 2kua h PHE 154 Ca -0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 2kua h PHE 154 Cb 0.79 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.60 2kua h PHE 154 CO 0.00 -0.20 0.61 0.00 -2.23 0.00 0.00 178.31 176.49 2kua h ARG 156 N 0.81 0.00 -0.34 0.00 1.12 -1.49 -0.54 114.38 113.94 2kua h ARG 156 Ca 0.56 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 59.35 2kua h ARG 156 Cb 0.80 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.75 2kua h ARG 156 CO -0.36 0.67 -0.08 0.35 -3.11 0.00 0.00 179.97 177.44 2kua h PHE 157 N 0.00 0.75 0.00 2.20 3.04 0.25 -3.10 116.94 120.07 2kua h PHE 157 Ca -0.01 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.78 2kua h PHE 157 Cb 1.48 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.81 2kua h PHE 157 CO 0.00 0.83 -0.82 1.19 -2.02 0.00 0.00 178.31 177.49 2kua n PHE 158 N -4.42 0.52 -2.58 0.41 3.01 -0.31 -5.02 117.46 109.08 2kua n PHE 158 Ca -0.02 0.15 -0.04 0.00 1.01 0.00 0.00 57.45 58.55 2kua n PHE 158 Cb 0.34 -0.63 0.01 0.00 -0.01 0.00 0.00 39.48 39.18 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 -2.15 -1.60 -1.47 -1.08 4.76 -0.26 -4.92 118.16 111.44 2kua n LYS 159 Ca 0.02 1.61 -0.39 0.00 -2.87 0.00 0.00 58.31 56.68 2kua n LYS 159 Cb 0.46 -4.73 0.03 0.00 -1.84 0.00 0.00 35.03 28.95 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 -0.70 -0.92 -0.08 4.39 2.85 -0.88 -4.90 115.26 115.01 2kua n ASN 160 Ca 0.07 0.79 -0.11 0.00 -0.11 0.00 0.00 54.58 55.21 2kua n ASN 160 Cb 0.39 -1.16 0.02 0.00 1.24 0.00 0.00 39.78 40.27 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 0.44 0.82 -6.95 1.20 0.13 -1.91 -3.45 132.00 122.28 2kua h PRO 161 Ca -0.44 -0.43 -0.55 0.00 -0.87 0.00 0.00 66.00 63.70 2kua h PRO 161 Cb 1.40 0.02 0.13 0.00 0.13 0.00 0.00 31.00 32.67 2kua h PRO 161 CO 0.48 1.07 0.60 1.28 -0.23 0.00 0.00 178.00 181.20 2kua n LEU 162 N -4.04 4.89 0.01 1.56 4.32 -1.26 -4.95 117.00 117.53 2kua n LEU 162 Ca -0.02 1.07 -0.13 0.00 -0.02 0.00 0.00 56.01 56.91 2kua n LEU 162 Cb 0.54 -1.56 -0.09 0.00 -1.62 0.00 0.00 43.42 40.69 2kua n LEU 162 CO 0.48 -0.46 0.60 1.55 -1.22 0.00 0.00 177.39 178.34 2kua h PRO 163 N 1.94 -0.06 -7.14 3.23 0.13 -2.02 -3.45 132.00 124.63 2kua h PRO 163 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 2kua h PRO 163 Cb 1.29 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.46 2kua h PRO 163 CO 0.59 0.40 0.30 -0.51 -0.23 0.00 0.00 178.00 178.55 2kua s LEU 164 N -9.24 3.56 0.00 1.56 1.02 -1.26 -5.15 118.68 109.17 2kua s LEU 164 Ca -0.15 1.36 0.00 0.00 0.02 0.00 0.00 54.13 55.36 2kua s LEU 164 Cb 0.02 -4.32 0.00 0.00 0.02 0.00 0.00 46.19 41.90 2kua s LEU 164 CO 0.64 -0.63 0.00 0.61 0.02 0.00 0.00 176.35 176.99