#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5u s LEU 5 N 0.00 4.41 -0.15 -4.42 2.96 -1.26 -4.56 118.68 115.67 1s5u s LEU 5 Ca 0.00 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 1s5u s LEU 5 Cb 0.00 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 1s5u s LEU 5 CO 0.00 -0.35 0.32 0.12 -1.32 0.00 0.00 176.35 175.12 1s5u s PHE 6 N 2.07 3.48 -0.12 5.38 5.36 -0.03 -4.92 117.98 129.21 1s5u s PHE 6 Ca 0.13 0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 56.74 1s5u s PHE 6 Cb -0.16 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1s5u s PHE 6 CO 0.12 0.25 -0.07 1.03 -1.46 0.00 0.00 175.22 175.09 1s5u s ARG 7 N 0.40 3.26 -0.09 10.12 0.52 -1.26 -0.61 118.95 131.28 1s5u s ARG 7 Ca 0.18 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1s5u s ARG 7 Cb -0.13 -2.73 0.03 0.00 0.52 0.00 0.00 34.95 32.63 1s5u s ARG 7 CO 0.05 0.40 -0.05 -0.46 0.02 0.00 0.00 175.30 175.27 1s5u s TRP 8 N -0.09 1.15 0.31 -0.53 -0.11 0.34 -4.96 118.94 115.05 1s5u s TRP 8 Ca 0.01 -0.50 -0.27 0.00 1.22 0.00 0.00 56.10 56.56 1s5u s TRP 8 Cb -0.13 -1.05 -0.10 0.00 -1.50 0.00 0.00 33.47 30.69 1s5u s TRP 8 CO 0.03 -0.43 0.95 -1.25 -4.62 0.00 0.00 176.95 171.63 1s5u s PRO 9 N 1.75 4.61 -0.05 5.86 0.04 -1.26 -0.23 135.00 145.72 1s5u s PRO 9 Ca 0.04 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 1s5u s PRO 9 Cb -0.13 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.59 1s5u s PRO 9 CO -0.07 0.30 0.10 0.08 0.04 0.00 0.00 177.00 177.45 1s5u s VAL 10 N -1.56 -0.08 -0.03 -0.36 1.01 -0.32 -4.93 120.40 114.13 1s5u s VAL 10 Ca 0.49 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 1s5u s VAL 10 Cb -0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1s5u s VAL 10 CO 0.25 0.10 0.35 -0.60 0.00 0.00 0.00 175.10 175.19 1s5u s ARG 11 N 1.33 3.83 -0.20 2.72 6.06 -1.26 0.02 118.95 131.45 1s5u s ARG 11 Ca -0.07 0.28 -0.20 0.00 -2.50 0.00 0.00 55.73 53.24 1s5u s ARG 11 Cb -0.12 -3.22 -0.03 0.00 0.06 0.00 0.00 34.95 31.64 1s5u s ARG 11 CO -0.05 0.69 0.60 0.08 -2.50 0.00 0.00 175.30 174.12 1s5u s VAL 12 N -0.99 5.04 0.42 7.11 1.01 -0.55 -4.98 120.40 127.47 1s5u s VAL 12 Ca 0.22 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1s5u s VAL 12 Cb -0.16 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1s5u s VAL 12 CO 0.11 0.13 0.21 -0.31 0.00 0.00 0.00 175.10 175.24 1s5u s TYR 13 N 1.84 2.58 0.29 5.22 2.02 -1.26 -1.28 117.35 126.76 1s5u s TYR 13 Ca 0.27 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1s5u s TYR 13 Cb -0.16 -1.99 0.65 0.00 -0.40 0.00 0.00 41.96 40.07 1s5u s TYR 13 CO 0.10 0.12 1.78 1.88 -1.57 0.00 0.00 175.55 177.86 1s5u h TYR 14 N 1.34 1.01 -0.03 2.71 -1.99 -1.97 -0.61 116.97 117.44 1s5u h TYR 14 Ca -0.42 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.35 1s5u h TYR 14 Cb 1.26 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 39.68 1s5u h TYR 14 CO 0.64 0.26 0.06 1.05 -0.00 0.00 0.00 178.16 180.17 1s5u h GLU 15 N 0.77 0.00 0.00 4.88 4.11 -2.01 -1.87 114.58 120.45 1s5u h GLU 15 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 1s5u h GLU 15 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1s5u h GLU 15 CO -0.36 0.00 -0.90 -0.25 0.07 0.00 0.00 179.01 177.57 1s5u n ASP 16 N -3.47 0.75 -4.96 3.06 8.00 -0.24 -4.95 116.55 114.74 1s5u n ASP 16 Ca -0.02 0.17 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 1s5u n ASP 16 Cb 0.14 0.44 0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1s5u n ASP 16 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s5u s THR 17 N -3.28 3.27 0.36 -3.53 -4.23 -0.71 -0.95 115.64 106.57 1s5u s THR 17 Ca 0.02 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1s5u s THR 17 Cb 0.12 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1s5u s THR 17 CO 0.77 -0.18 0.13 1.51 -0.54 0.00 0.00 174.62 176.31 1s5u s ASP 18 N -4.34 2.32 0.60 3.99 1.47 -0.20 -4.63 116.67 115.89 1s5u s ASP 18 Ca 0.54 -1.58 0.25 0.00 1.18 0.00 0.00 52.55 52.94 1s5u s ASP 18 Cb -0.10 0.36 1.38 0.00 -0.34 0.00 0.00 42.92 44.22 1s5u s ASP 18 CO 0.39 -0.86 1.76 0.00 0.68 0.00 0.00 175.17 177.14 1s5u h ALA 19 N 1.98 1.33 0.00 2.11 0.00 -1.99 0.88 119.26 123.57 1s5u h ALA 19 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1s5u h ALA 19 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1s5u h ALA 19 CO 0.58 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1s5u n GLY 20 N -1.24 -1.12 1.35 0.00 0.00 -1.26 -4.88 105.19 98.04 1s5u n GLY 20 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1s5u n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5u n GLY 21 N 0.60 0.75 3.43 -0.02 0.00 0.30 -5.04 105.19 105.21 1s5u n GLY 21 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1s5u n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s5u s VAL 22 N -2.47 0.44 0.19 1.61 -7.23 -1.25 -4.64 120.40 107.05 1s5u s VAL 22 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1s5u s VAL 22 Cb 0.00 -2.42 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 1s5u s VAL 22 CO 0.00 0.00 1.33 -0.69 -0.31 0.00 0.00 175.10 175.43 1s5u s VAL 23 N -3.34 3.18 0.23 1.32 1.01 -0.53 -1.03 120.40 121.24 1s5u s VAL 23 Ca 0.30 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1s5u s VAL 23 Cb 0.03 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1s5u s VAL 23 CO 0.18 0.14 1.42 -0.47 0.00 0.00 0.00 175.10 176.36 1s5u s TYR 24 N 0.20 3.08 0.47 5.22 5.04 -0.13 -4.83 117.35 126.41 1s5u s TYR 24 Ca 0.58 1.04 0.19 0.00 -2.44 0.00 0.00 57.07 56.44 1s5u s TYR 24 Cb -0.37 -3.78 1.19 0.00 0.35 0.00 0.00 41.96 39.36 1s5u s TYR 24 CO 0.38 -2.54 1.97 1.12 -1.34 0.00 0.00 175.55 175.14 1s5u h HIS 25 N 5.29 0.27 0.00 4.97 2.07 -1.93 -0.28 115.15 125.53 1s5u h HIS 25 Ca -0.45 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.04 1s5u h HIS 25 Cb 1.22 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 31.11 1s5u h HIS 25 CO 0.61 0.11 -0.14 0.00 -3.07 0.00 0.00 177.93 175.44 1s5u h ALA 26 N 1.70 1.01 -0.31 6.11 0.00 -1.96 -2.81 119.26 122.99 1s5u h ALA 26 Ca 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s5u h ALA 26 Cb 0.83 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1s5u h ALA 26 CO -0.06 0.18 -0.03 0.77 0.00 0.00 0.00 179.25 180.11 1s5u h SER 27 N 0.00 0.46 -0.35 0.00 0.02 -1.35 -1.89 113.55 110.43 1s5u h SER 27 Ca -0.00 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1s5u h SER 27 Cb 0.70 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1s5u h SER 27 CO 0.02 0.55 -0.00 1.88 -1.14 0.00 0.00 176.83 178.14 1s5u h TYR 28 N 0.47 0.77 -0.86 3.45 0.05 -1.56 -0.98 116.97 118.31 1s5u h TYR 28 Ca 0.10 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1s5u h TYR 28 Cb 0.35 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 1s5u h TYR 28 CO 0.01 0.72 0.53 0.28 -1.05 0.00 0.00 178.16 178.65 1s5u h VAL 29 N 0.68 1.24 -0.48 -2.88 2.07 -1.42 -0.09 116.25 115.37 1s5u h VAL 29 Ca 0.14 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1s5u h VAL 29 Cb 0.43 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1s5u h VAL 29 CO 0.02 0.24 -0.07 0.00 0.02 0.00 0.00 177.57 177.78 1s5u h ALA 30 N 1.29 0.66 -0.77 1.67 0.00 -1.14 -2.36 119.26 118.62 1s5u h ALA 30 Ca 0.31 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1s5u h ALA 30 Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1s5u h ALA 30 CO -0.06 0.53 0.48 0.74 0.00 0.00 0.00 179.25 180.93 1s5u h PHE 31 N 0.75 0.89 -0.80 0.00 0.04 -0.49 -1.48 116.94 115.84 1s5u h PHE 31 Ca 0.13 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1s5u h PHE 31 Cb 0.61 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1s5u h PHE 31 CO 0.05 0.48 0.46 1.88 -0.60 0.00 0.00 178.31 180.58 1s5u h TYR 32 N 0.91 1.07 -0.55 -0.55 0.99 -0.78 -2.14 116.97 115.92 1s5u h TYR 32 Ca 0.32 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.96 1s5u h TYR 32 Cb 0.08 -0.35 -0.02 0.00 1.00 0.00 0.00 36.73 37.44 1s5u h TYR 32 CO -0.04 0.73 0.06 1.49 -0.00 0.00 0.00 178.16 180.40 1s5u h GLU 33 N 1.11 0.93 -0.74 4.88 4.22 -0.79 -2.11 114.58 122.08 1s5u h GLU 33 Ca 0.28 -0.27 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 1s5u h GLU 33 Cb -0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1s5u h GLU 33 CO -0.05 0.91 0.45 0.00 -2.18 0.00 0.00 179.01 178.14 1s5u h ARG 34 N 0.82 1.01 -0.75 1.92 3.08 -0.91 -1.38 114.38 118.16 1s5u h ARG 34 Ca 0.16 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1s5u h ARG 34 Cb 0.45 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1s5u h ARG 34 CO 0.02 0.71 0.29 0.00 -1.07 0.00 0.00 179.97 179.92 1s5u h ALA 35 N 1.24 0.98 -0.47 0.04 0.00 -1.12 0.13 119.26 120.06 1s5u h ALA 35 Ca 0.27 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1s5u h ALA 35 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1s5u h ALA 35 CO -0.05 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.89 1s5u h ARG 36 N 1.09 0.77 -0.49 0.00 3.08 -1.09 0.88 114.38 118.62 1s5u h ARG 36 Ca 0.25 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1s5u h ARG 36 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1s5u h ARG 36 CO -0.02 0.78 0.32 1.15 -1.07 0.00 0.00 179.97 181.14 1s5u h THR 37 N 0.64 1.11 -0.05 2.04 2.02 -0.86 -1.63 112.91 116.18 1s5u h THR 37 Ca 0.14 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 1s5u h THR 37 Cb 0.38 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1s5u h THR 37 CO 0.01 0.12 -0.50 -0.33 0.37 0.00 0.00 175.52 175.19 1s5u h GLU 38 N 0.65 0.13 -0.23 6.66 4.39 -0.47 -0.64 114.58 125.08 1s5u h GLU 38 Ca 0.18 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1s5u h GLU 38 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1s5u h GLU 38 CO -0.05 0.60 0.05 1.98 -1.16 0.00 0.00 179.01 180.43 1s5u h MET 39 N 0.10 0.37 -0.84 2.33 4.05 -0.44 -0.72 114.93 119.79 1s5u h MET 39 Ca 0.00 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1s5u h MET 39 Cb 0.93 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.64 1s5u h MET 39 CO 0.07 0.50 0.47 -0.07 0.23 0.00 0.00 176.91 178.12 1s5u h LEU 40 N 0.18 1.03 -0.99 3.39 3.38 -1.13 -2.32 115.31 118.85 1s5u h LEU 40 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s5u h LEU 40 Cb 0.30 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1s5u h LEU 40 CO 0.00 0.82 0.61 -0.09 0.09 0.00 0.00 178.44 179.87 1s5u h ARG 41 N 1.16 1.29 -0.28 1.13 2.43 -0.79 0.70 114.38 120.01 1s5u h ARG 41 Ca 0.30 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1s5u h ARG 41 Cb 0.00 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1s5u h ARG 41 CO -0.05 0.88 0.24 1.25 -1.51 0.00 0.00 179.97 180.78 1s5u h HIS 42 N 1.32 0.00 -0.61 2.20 2.76 -0.56 0.38 115.15 120.63 1s5u h HIS 42 Ca 0.35 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1s5u h HIS 42 Cb -0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1s5u h HIS 42 CO 0.00 0.00 0.00 0.72 -1.30 0.00 0.00 177.93 177.35 1s5u n HIS 43 N -4.12 1.75 -1.02 5.26 8.25 -0.44 -4.92 115.22 119.97 1s5u n HIS 43 Ca 0.04 -0.67 -0.01 0.00 -0.26 0.00 0.00 57.72 56.82 1s5u n HIS 43 Cb 0.40 -0.36 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 1s5u n HIS 43 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1s5u n HIS 44 N 0.89 0.00 -2.86 4.41 -0.00 0.13 -4.95 115.22 112.84 1s5u n HIS 44 Ca 0.27 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.56 1s5u n HIS 44 Cb 1.03 -0.59 0.01 0.00 -0.00 0.00 0.00 29.99 30.44 1s5u n HIS 44 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1s5u n PHE 45 N -2.78 2.94 -1.47 4.41 3.72 0.11 -4.78 117.46 119.61 1s5u n PHE 45 Ca -0.01 -2.83 -0.29 0.00 -0.05 0.00 0.00 57.45 54.27 1s5u n PHE 45 Cb 0.13 -1.55 0.14 0.00 -0.94 0.00 0.00 39.48 37.26 1s5u n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1s5u s SER 46 N -0.46 3.32 0.30 4.37 1.04 -1.26 -3.62 113.70 117.39 1s5u s SER 46 Ca 0.34 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 1s5u s SER 46 Cb 0.04 -1.57 0.44 0.00 0.10 0.00 0.00 66.02 65.04 1s5u s SER 46 CO 0.05 -2.67 1.97 1.56 0.98 0.00 0.00 173.24 175.12 1s5u h GLN 47 N -1.58 1.08 -0.58 4.02 1.08 -1.94 -1.35 115.11 115.83 1s5u h GLN 47 Ca -0.51 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.61 1s5u h GLN 47 Cb 1.33 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.49 1s5u h GLN 47 CO 0.61 0.72 0.33 0.37 -0.95 0.00 0.00 178.83 179.91 1s5u h GLN 48 N 1.11 0.80 -0.56 1.46 4.15 -1.97 -1.15 115.11 118.95 1s5u h GLN 48 Ca 0.30 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 1s5u h GLN 48 Cb -0.12 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 1s5u h GLN 48 CO -0.06 0.59 0.04 0.00 -1.93 0.00 0.00 178.83 177.47 1s5u h ALA 49 N 1.16 1.02 -0.37 3.38 0.00 -1.66 -1.86 119.26 120.92 1s5u h ALA 49 Ca 0.21 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1s5u h ALA 49 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1s5u h ALA 49 CO -0.04 0.61 -0.21 -0.07 0.00 0.00 0.00 179.25 179.55 1s5u h LEU 50 N 0.86 0.83 -1.16 0.00 3.38 -0.98 -2.25 115.31 115.99 1s5u h LEU 50 Ca 0.17 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1s5u h LEU 50 Cb 0.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1s5u h LEU 50 CO 0.02 1.06 0.17 -0.03 0.09 0.00 0.00 178.44 179.75 1s5u h MET 51 N 0.59 0.76 0.00 1.13 4.05 -1.06 -0.55 114.93 119.85 1s5u h MET 51 Ca 0.08 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1s5u h MET 51 Cb 0.76 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1s5u h MET 51 CO 0.06 0.66 -0.24 0.00 0.23 0.00 0.00 176.91 177.61 1s5u h ALA 52 N 1.44 1.33 -0.00 0.39 0.00 -1.13 -0.14 119.26 121.15 1s5u h ALA 52 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s5u h ALA 52 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s5u h ALA 52 CO -0.01 0.30 -0.15 0.39 0.00 0.00 0.00 179.25 179.79 1s5u n GLU 53 N -3.86 0.73 -3.27 0.00 -0.58 -0.33 -4.93 120.64 108.41 1s5u n GLU 53 Ca -0.02 -0.31 -0.17 0.00 -0.42 0.00 0.00 57.16 56.25 1s5u n GLU 53 Cb 0.33 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.77 1s5u n GLU 53 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1s5u n ARG 54 N -0.87 -5.62 -4.09 3.49 0.63 -0.06 -4.98 116.66 105.17 1s5u n ARG 54 Ca 0.14 0.58 -0.08 0.00 -0.92 0.00 0.00 57.85 57.57 1s5u n ARG 54 Cb 0.30 -4.88 -0.10 0.00 0.45 0.00 0.00 32.46 28.22 1s5u n ARG 54 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1s5u s VAL 55 N -3.23 0.32 0.04 5.15 -7.23 -0.70 -4.19 120.40 110.57 1s5u s VAL 55 Ca 0.41 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1s5u s VAL 55 Cb -0.18 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 1s5u s VAL 55 CO 0.51 -0.86 0.12 0.00 -0.31 0.00 0.00 175.10 174.56 1s5u s ALA 56 N -3.31 -0.12 -0.13 1.32 0.00 0.17 -3.97 121.76 115.72 1s5u s ALA 56 Ca 0.03 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1s5u s ALA 56 Cb 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1s5u s ALA 56 CO -0.07 -0.33 -0.15 -0.06 0.00 0.00 0.00 175.76 175.14 1s5u s PHE 57 N -2.65 2.76 0.02 0.00 0.08 -1.26 -0.39 117.98 116.54 1s5u s PHE 57 Ca -0.05 -0.81 0.07 0.00 0.12 0.00 0.00 56.93 56.27 1s5u s PHE 57 Cb -0.01 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1s5u s PHE 57 CO -0.05 -0.31 -0.21 0.14 -0.10 0.00 0.00 175.22 174.70 1s5u s VAL 58 N 0.46 1.66 -0.01 -0.44 -7.23 -0.34 -4.93 120.40 109.57 1s5u s VAL 58 Ca -0.11 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1s5u s VAL 58 Cb -0.16 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1s5u s VAL 58 CO 0.05 0.30 1.22 -0.69 -0.31 0.00 0.00 175.10 175.66 1s5u s VAL 59 N -0.69 4.13 -0.19 1.32 1.01 -1.26 -0.44 120.40 124.27 1s5u s VAL 59 Ca 0.08 1.49 0.09 0.00 0.00 0.00 0.00 61.98 63.64 1s5u s VAL 59 Cb -0.08 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.16 1s5u s VAL 59 CO 0.01 0.04 -0.06 -1.14 0.00 0.00 0.00 175.10 173.95 1s5u n ARG 60 N 4.74 0.90 -3.69 2.72 3.00 0.60 -4.92 116.66 120.02 1s5u n ARG 60 Ca 0.10 0.05 -0.10 0.00 -0.00 0.00 0.00 57.85 57.90 1s5u n ARG 60 Cb 0.46 -1.44 -0.10 0.00 0.00 0.00 0.00 32.46 31.39 1s5u n ARG 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1s5u s LYS 61 N -2.42 0.51 -0.05 -0.14 2.20 -1.14 -5.01 119.74 113.68 1s5u s LYS 61 Ca -0.18 0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 56.26 1s5u s LYS 61 Cb 0.06 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1s5u s LYS 61 CO 0.61 -0.14 0.11 1.41 -0.36 0.00 0.00 175.35 176.98 1s5u s MET 62 N 1.18 0.09 -0.05 4.03 1.75 -1.26 -0.31 119.30 124.74 1s5u s MET 62 Ca -0.07 0.23 0.04 0.00 -1.25 0.00 0.00 55.69 54.64 1s5u s MET 62 Cb -0.06 -0.06 -0.00 0.00 2.84 0.00 0.00 34.83 37.54 1s5u s MET 62 CO -0.11 -0.09 -0.16 0.99 -0.65 0.00 0.00 175.02 175.00 1s5u s THR 63 N 0.57 1.39 -0.05 10.11 2.01 -0.54 -4.99 115.64 124.14 1s5u s THR 63 Ca -0.04 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1s5u s THR 63 Cb -0.06 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1s5u s THR 63 CO -0.02 0.40 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.50 1s5u s VAL 64 N 0.13 1.07 -0.15 3.82 1.01 -1.26 -1.22 120.40 123.80 1s5u s VAL 64 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1s5u s VAL 64 Cb -0.12 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1s5u s VAL 64 CO 0.03 0.33 -0.15 -0.70 0.00 0.00 0.00 175.10 174.60 1s5u s GLU 65 N 0.37 3.23 -0.17 2.72 2.12 -0.09 -4.97 118.70 121.91 1s5u s GLU 65 Ca -0.08 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 1s5u s GLU 65 Cb -0.12 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1s5u s GLU 65 CO 0.02 0.04 0.10 0.71 -0.54 0.00 0.00 175.26 175.59 1s5u s TYR 66 N 0.75 3.37 -0.02 5.30 2.02 -1.26 -1.47 117.35 126.04 1s5u s TYR 66 Ca -0.06 0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.90 1s5u s TYR 66 Cb -0.15 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 1s5u s TYR 66 CO 0.01 0.35 -0.03 0.66 -1.57 0.00 0.00 175.55 174.97 1s5u n TYR 67 N 3.10 0.00 -4.00 2.71 4.01 0.90 -4.99 117.16 118.90 1s5u n TYR 67 Ca -0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.49 1s5u n TYR 67 Cb 0.53 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.38 1s5u n TYR 67 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5u s ALA 68 N -2.04 0.19 0.49 -0.72 0.00 -0.66 -5.03 121.76 113.98 1s5u s ALA 68 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1s5u s ALA 68 Cb 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1s5u s ALA 68 CO 0.04 -0.33 0.76 -1.25 0.00 0.00 0.00 175.76 174.97 1s5u s PRO 69 N -3.11 3.16 0.23 0.00 0.04 -1.26 -4.57 135.00 129.49 1s5u s PRO 69 Ca -0.01 -0.18 0.11 0.00 0.04 0.00 0.00 61.00 60.97 1s5u s PRO 69 Cb 0.02 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1s5u s PRO 69 CO -0.07 -0.35 -0.20 0.00 0.04 0.00 0.00 177.00 176.42 1s5u s ALA 70 N -2.71 2.69 0.27 8.56 0.00 -1.26 -5.02 121.76 124.28 1s5u s ALA 70 Ca 0.49 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1s5u s ALA 70 Cb -0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1s5u s ALA 70 CO 0.41 0.36 0.09 1.03 0.00 0.00 0.00 175.76 177.66 1s5u s ARG 71 N -3.08 1.44 0.21 0.00 0.52 -1.26 -1.45 118.95 115.34 1s5u s ARG 71 Ca 0.25 -1.78 -0.31 0.00 -0.52 0.00 0.00 55.73 53.37 1s5u s ARG 71 Cb -0.07 -0.33 -0.15 0.00 0.52 0.00 0.00 34.95 34.92 1s5u s ARG 71 CO 0.13 -0.29 1.06 -0.11 0.02 0.00 0.00 175.30 176.11 1s5u n LEU 72 N -0.49 1.40 0.00 2.53 7.94 -1.26 -1.46 117.00 125.66 1s5u n LEU 72 Ca -0.00 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1s5u n LEU 72 Cb 0.66 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1s5u n LEU 72 CO 0.38 -1.46 0.00 0.47 -1.11 0.00 0.00 177.39 175.67 1s5u n ASP 73 N 1.74 0.00 -4.77 1.96 8.00 -0.40 -5.00 116.55 118.08 1s5u n ASP 73 Ca 0.13 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 1s5u n ASP 73 Cb 0.27 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1s5u n ASP 73 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s5u s ASP 74 N -3.78 6.72 -0.28 -2.24 1.01 -0.54 -4.72 116.67 112.85 1s5u s ASP 74 Ca 0.00 2.73 -0.10 0.00 0.71 0.00 0.00 52.55 55.89 1s5u s ASP 74 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1s5u s ASP 74 CO 0.00 -0.57 0.15 -0.32 0.21 0.00 0.00 175.17 174.64 1s5u s MET 75 N -1.83 3.70 0.36 8.23 -2.45 -1.26 -1.47 119.30 124.57 1s5u s MET 75 Ca 0.49 -0.48 0.08 0.00 -1.25 0.00 0.00 55.69 54.53 1s5u s MET 75 Cb -0.41 -3.56 -0.03 0.00 1.25 0.00 0.00 34.83 32.09 1s5u s MET 75 CO 0.54 -0.25 0.31 -0.51 1.05 0.00 0.00 175.02 176.16 1s5u s LEU 76 N 1.68 3.52 -0.10 4.11 1.43 0.10 -3.31 118.68 126.13 1s5u s LEU 76 Ca 0.06 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1s5u s LEU 76 Cb -0.16 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1s5u s LEU 76 CO 0.08 -0.44 -0.10 -0.70 0.23 0.00 0.00 176.35 175.42 1s5u s GLU 77 N -4.03 1.61 -0.19 1.70 2.12 -0.51 -1.17 118.70 118.23 1s5u s GLU 77 Ca 0.43 -0.32 -0.12 0.00 0.36 0.00 0.00 54.97 55.32 1s5u s GLU 77 Cb -0.05 -1.52 -0.05 0.00 0.26 0.00 0.00 34.13 32.77 1s5u s GLU 77 CO 0.27 -0.15 0.23 0.42 -0.54 0.00 0.00 175.26 175.48 1s5u s ILE 78 N 1.29 5.34 -0.14 -3.70 -1.09 0.68 -1.87 121.20 121.71 1s5u s ILE 78 Ca -0.03 0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.75 1s5u s ILE 78 Cb -0.14 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1s5u s ILE 78 CO -0.04 0.39 -0.04 -1.10 -1.23 0.00 0.00 174.94 172.92 1s5u s GLN 79 N 0.57 3.51 0.01 2.79 -0.21 0.48 -0.51 119.66 126.30 1s5u s GLN 79 Ca 0.13 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 55.01 1s5u s GLN 79 Cb -0.12 -2.86 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 1s5u s GLN 79 CO 0.02 0.33 -0.05 0.99 -2.12 0.00 0.00 175.29 174.46 1s5u s THR 80 N 0.11 0.40 -0.02 -0.19 2.01 0.22 -1.71 115.64 116.46 1s5u s THR 80 Ca -0.01 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 1s5u s THR 80 Cb -0.14 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 72.03 1s5u s THR 80 CO 0.03 -0.00 0.41 -1.83 -0.69 0.00 0.00 174.62 172.54 1s5u s GLU 81 N -0.43 0.78 -0.43 4.92 -1.05 -0.94 -0.85 118.70 120.70 1s5u s GLU 81 Ca -0.01 -0.08 -0.20 0.00 -0.15 0.00 0.00 54.97 54.53 1s5u s GLU 81 Cb -0.04 0.36 0.02 0.00 -0.44 0.00 0.00 34.13 34.03 1s5u s GLU 81 CO -0.00 -0.23 0.57 0.42 0.95 0.00 0.00 175.26 176.97 1s5u s ILE 82 N -1.35 4.91 -1.14 1.83 1.01 -1.26 -1.46 121.20 123.74 1s5u s ILE 82 Ca -0.12 -0.04 0.25 0.00 0.00 0.00 0.00 60.65 60.74 1s5u s ILE 82 Cb -0.04 -4.15 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1s5u s ILE 82 CO 0.05 -0.54 1.46 0.35 0.00 0.00 0.00 174.94 176.26 1s5u n THR 83 N 5.71 0.00 -3.63 2.92 -2.24 -0.12 -4.86 114.28 112.07 1s5u n THR 83 Ca -0.03 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1s5u n THR 83 Cb 0.48 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1s5u n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s5u s SER 84 N -2.90 -0.96 -0.18 3.42 0.15 -1.16 -4.98 113.70 107.08 1s5u s SER 84 Ca 0.14 1.43 -0.00 0.00 0.70 0.00 0.00 55.95 58.22 1s5u s SER 84 Cb 0.18 1.72 0.01 0.00 -1.71 0.00 0.00 66.02 66.22 1s5u s SER 84 CO 0.66 -0.21 -0.15 -0.32 1.20 0.00 0.00 173.24 174.42 1s5u s MET 85 N 2.12 3.15 0.53 5.44 1.75 -1.26 -0.70 119.30 130.33 1s5u s MET 85 Ca -0.08 -0.76 0.04 0.00 -1.25 0.00 0.00 55.69 53.64 1s5u s MET 85 Cb -0.07 -2.70 0.02 0.00 2.84 0.00 0.00 34.83 34.92 1s5u s MET 85 CO -0.19 -0.15 0.25 1.03 -0.65 0.00 0.00 175.02 175.32 1s5u s ARG 86 N 1.21 2.23 0.45 4.11 3.00 0.71 -5.02 118.95 125.65 1s5u s ARG 86 Ca 0.02 -2.17 0.15 0.00 0.00 0.00 0.00 55.73 53.74 1s5u s ARG 86 Cb -0.14 -1.88 1.02 0.00 0.00 0.00 0.00 34.95 33.95 1s5u s ARG 86 CO -0.07 -0.53 1.98 0.78 0.00 0.00 0.00 175.30 177.47 1s5u h GLY 87 N 0.97 0.00 -0.16 -3.53 0.00 -1.99 -3.29 103.07 95.07 1s5u h GLY 87 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1s5u h GLY 87 CO 0.63 0.00 -0.08 -1.30 0.00 0.00 0.00 176.54 175.80 1s5u n THR 88 N -4.23 0.32 -3.76 4.70 -2.24 -1.26 -0.69 114.28 107.11 1s5u n THR 88 Ca -0.02 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1s5u n THR 88 Cb 0.26 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1s5u n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s5u s SER 89 N -0.54 -0.24 0.01 3.42 1.04 -1.24 -1.69 113.70 114.46 1s5u s SER 89 Ca 0.02 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1s5u s SER 89 Cb 0.02 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1s5u s SER 89 CO 0.00 -1.07 -0.03 -0.76 0.98 0.00 0.00 173.24 172.36 1s5u s LEU 90 N -2.89 2.09 -0.18 2.42 1.43 0.17 -0.21 118.68 121.53 1s5u s LEU 90 Ca 0.10 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1s5u s LEU 90 Cb -0.01 -0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 1s5u s LEU 90 CO -0.02 -0.07 -0.09 -0.69 0.23 0.00 0.00 176.35 175.72 1s5u s VAL 91 N -0.53 3.21 -0.11 -1.59 1.01 0.12 -0.73 120.40 121.79 1s5u s VAL 91 Ca -0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1s5u s VAL 91 Cb -0.04 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1s5u s VAL 91 CO -0.00 0.48 0.01 -0.36 0.00 0.00 0.00 175.10 175.23 1s5u s PHE 92 N 0.92 3.18 -0.17 5.22 0.08 0.22 -0.94 117.98 126.48 1s5u s PHE 92 Ca -0.02 0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 1s5u s PHE 92 Cb -0.15 -1.86 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1s5u s PHE 92 CO 0.00 0.37 -0.12 0.99 -0.10 0.00 0.00 175.22 176.36 1s5u s THR 93 N -0.55 2.88 0.13 0.64 2.01 -0.53 -0.67 115.64 119.55 1s5u s THR 93 Ca 0.10 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.45 1s5u s THR 93 Cb -0.12 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1s5u s THR 93 CO 0.02 0.49 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.25 1s5u s GLN 94 N 0.97 0.98 0.04 4.92 -0.21 0.02 -2.22 119.66 124.16 1s5u s GLN 94 Ca -0.02 -1.36 -0.19 0.00 0.02 0.00 0.00 55.36 53.81 1s5u s GLN 94 Cb -0.15 -0.57 0.04 0.00 1.00 0.00 0.00 33.01 33.33 1s5u s GLN 94 CO -0.02 0.07 0.43 -0.98 -2.12 0.00 0.00 175.29 172.67 1s5u s ARG 95 N -3.49 0.93 -0.10 2.91 1.70 -0.70 -0.00 118.95 120.21 1s5u s ARG 95 Ca 0.13 -0.33 0.03 0.00 -0.47 0.00 0.00 55.73 55.09 1s5u s ARG 95 Cb 0.01 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1s5u s ARG 95 CO -0.00 -0.32 -0.19 0.42 -1.08 0.00 0.00 175.30 174.13 1s5u s ILE 96 N -2.40 1.70 0.18 4.99 1.01 -0.11 -0.38 121.20 126.18 1s5u s ILE 96 Ca -0.06 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.87 1s5u s ILE 96 Cb -0.01 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1s5u s ILE 96 CO -0.02 0.48 -0.13 0.68 0.00 0.00 0.00 174.94 175.95 1s5u s VAL 97 N 0.62 1.54 0.36 2.92 -7.23 -0.78 -0.42 120.40 117.40 1s5u s VAL 97 Ca -0.14 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 57.92 1s5u s VAL 97 Cb -0.16 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 34.88 1s5u s VAL 97 CO 0.04 -0.63 0.49 -0.46 -0.31 0.00 0.00 175.10 174.23 1s5u n ASN 98 N -0.28 1.02 0.15 4.85 0.23 -0.95 -1.43 115.26 118.86 1s5u n ASN 98 Ca -0.09 -1.78 0.17 0.00 -0.53 0.00 0.00 54.58 52.35 1s5u n ASN 98 Cb 0.60 -0.29 0.76 0.00 -2.08 0.00 0.00 39.78 38.77 1s5u n ASN 98 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s5u h ALA 99 N -0.04 2.04 -0.01 -2.53 0.00 -1.92 0.36 119.26 117.17 1s5u h ALA 99 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1s5u h ALA 99 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s5u h ALA 99 CO 0.21 -0.36 -0.05 0.39 0.00 0.00 0.00 179.25 179.44 1s5u n GLU 100 N -4.08 1.13 -1.39 0.00 -0.58 -1.26 -4.90 120.64 109.56 1s5u n GLU 100 Ca 0.03 -0.46 -0.09 0.00 -0.42 0.00 0.00 57.16 56.23 1s5u n GLU 100 Cb 0.37 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1s5u n GLU 100 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1s5u n ASN 101 N -0.54 -3.93 -4.74 1.62 5.15 0.13 -5.01 115.26 107.94 1s5u n ASN 101 Ca 0.18 0.19 -0.40 0.00 -0.60 0.00 0.00 54.58 53.95 1s5u n ASN 101 Cb 0.27 -2.35 -0.05 0.00 -0.53 0.00 0.00 39.78 37.11 1s5u n ASN 101 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1s5u s THR 102 N -2.35 4.14 -0.18 -0.44 2.01 -1.26 -4.77 115.64 112.80 1s5u s THR 102 Ca 0.00 2.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.74 1s5u s THR 102 Cb 0.00 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1s5u s THR 102 CO 0.00 0.43 1.41 -0.22 -0.69 0.00 0.00 174.62 175.56 1s5u s LEU 103 N -0.85 4.09 -0.19 4.42 2.96 -1.26 -2.25 118.68 125.60 1s5u s LEU 103 Ca 0.43 1.68 -0.19 0.00 -0.22 0.00 0.00 54.13 55.83 1s5u s LEU 103 Cb -0.26 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.69 1s5u s LEU 103 CO 0.32 -0.96 0.24 -0.07 -1.32 0.00 0.00 176.35 174.56 1s5u h LEU 104 N 10.45 0.08 -7.59 -0.68 3.38 -0.99 -3.35 115.31 116.62 1s5u h LEU 104 Ca -0.30 -0.59 0.13 0.00 0.09 0.00 0.00 57.88 57.21 1s5u h LEU 104 Cb 1.13 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1s5u h LEU 104 CO 0.99 1.56 0.40 0.54 0.09 0.00 0.00 178.44 182.02 1s5u s ASN 105 N -6.90 -0.26 0.05 -0.43 2.20 -1.16 -0.07 114.94 108.38 1s5u s ASN 105 Ca -0.28 -0.36 -0.06 0.00 -0.94 0.00 0.00 52.86 51.23 1s5u s ASN 105 Cb 0.06 0.54 -0.01 0.00 -2.00 0.00 0.00 41.25 39.84 1s5u s ASN 105 CO 0.63 -0.97 0.10 -1.83 -2.94 0.00 0.00 177.10 172.08 1s5u s GLU 106 N -3.45 0.64 0.03 3.55 -1.05 -0.54 -0.94 118.70 116.94 1s5u s GLU 106 Ca 0.10 -0.85 -0.03 0.00 -0.15 0.00 0.00 54.97 54.04 1s5u s GLU 106 Cb -0.02 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1s5u s GLU 106 CO 0.00 -0.17 0.03 0.00 0.95 0.00 0.00 175.26 176.08 1s5u s ALA 107 N -3.02 0.07 -0.15 -0.84 0.00 1.00 -0.92 121.76 117.90 1s5u s ALA 107 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1s5u s ALA 107 Cb 0.01 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1s5u s ALA 107 CO -0.06 -0.26 -0.14 -2.00 0.00 0.00 0.00 175.76 173.30 1s5u s GLU 108 N -2.28 2.24 -0.15 0.00 2.12 -0.35 -0.80 118.70 119.47 1s5u s GLU 108 Ca -0.08 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1s5u s GLU 108 Cb -0.04 -2.07 0.02 0.00 0.26 0.00 0.00 34.13 32.31 1s5u s GLU 108 CO -0.03 -0.24 -0.16 0.08 -0.54 0.00 0.00 175.26 174.37 1s5u s VAL 109 N 1.50 1.71 -0.31 3.70 1.01 0.16 -1.47 120.40 126.70 1s5u s VAL 109 Ca 0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1s5u s VAL 109 Cb -0.13 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1s5u s VAL 109 CO -0.11 0.48 0.44 -0.22 0.00 0.00 0.00 175.10 175.70 1s5u s LEU 110 N 1.39 4.22 -0.05 3.92 2.96 0.58 -0.61 118.68 131.10 1s5u s LEU 110 Ca 0.04 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1s5u s LEU 110 Cb -0.13 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 1s5u s LEU 110 CO -0.11 -0.33 -0.16 0.68 -1.32 0.00 0.00 176.35 175.11 1s5u s VAL 111 N 2.21 2.89 0.00 1.68 -7.23 0.09 -0.29 120.40 119.75 1s5u s VAL 111 Ca 0.17 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 1s5u s VAL 111 Cb -0.16 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1s5u s VAL 111 CO 0.11 0.59 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.70 1s5u s VAL 112 N -0.64 3.42 -0.05 1.32 1.01 0.41 -0.65 120.40 125.21 1s5u s VAL 112 Ca 0.10 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 1s5u s VAL 112 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1s5u s VAL 112 CO 0.01 0.41 0.67 0.00 0.00 0.00 0.00 175.10 176.19 1s5u s VAL 114 N 0.55 0.27 0.07 0.00 -7.23 0.48 -1.18 120.40 113.36 1s5u s VAL 114 Ca 0.35 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 1s5u s VAL 114 Cb -0.18 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1s5u s VAL 114 CO 0.18 -0.48 0.99 -0.62 -0.31 0.00 0.00 175.10 174.85 1s5u s ASP 115 N -3.08 7.42 0.53 4.85 -1.08 -0.14 -0.66 116.67 124.51 1s5u s ASP 115 Ca 0.24 1.77 0.35 0.00 -0.52 0.00 0.00 52.55 54.38 1s5u s ASP 115 Cb 0.07 -2.58 1.88 0.00 -1.46 0.00 0.00 42.92 40.83 1s5u s ASP 115 CO 0.02 -0.16 2.06 -0.65 0.52 0.00 0.00 175.17 176.95 1s5u h PRO 116 N 6.05 0.00 0.00 4.34 0.11 -1.86 0.11 132.00 140.75 1s5u h PRO 116 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1s5u h PRO 116 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s5u h PRO 116 CO 0.73 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 178.41 1s5u n LEU 117 N -2.74 0.11 0.13 2.35 -0.00 -1.26 -4.61 117.00 110.98 1s5u n LEU 117 Ca -0.02 0.15 0.13 0.00 -0.00 0.00 0.00 56.01 56.27 1s5u n LEU 117 Cb 0.09 -0.45 0.42 0.00 -0.00 0.00 0.00 43.42 43.47 1s5u n LEU 117 CO 0.15 -0.45 0.88 0.11 -0.00 0.00 0.00 177.39 178.08 1s5u h LYS 118 N 0.00 0.00 -1.01 1.96 1.57 -2.00 -3.46 116.57 113.63 1s5u h LYS 118 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1s5u h LYS 118 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 1s5u h LYS 118 CO 0.00 0.00 -0.30 -1.33 -0.57 0.00 0.00 179.45 177.25 1s5u n MET 119 N -2.37 -1.07 -2.97 3.15 2.81 0.37 -4.98 117.12 112.06 1s5u n MET 119 Ca 0.04 0.96 -0.29 0.00 -1.81 0.00 0.00 57.70 56.61 1s5u n MET 119 Cb 0.39 -5.13 -0.02 0.00 -0.71 0.00 0.00 33.22 27.74 1s5u n MET 119 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1s5u s LYS 120 N -3.58 3.67 0.51 0.03 1.02 -1.26 -4.68 119.74 115.46 1s5u s LYS 120 Ca 0.00 0.24 -0.21 0.00 0.02 0.00 0.00 55.97 56.01 1s5u s LYS 120 Cb 0.00 -2.48 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 1s5u s LYS 120 CO 0.00 0.01 1.04 -2.30 -0.92 0.00 0.00 175.35 173.18 1s5u n PRO 121 N -1.43 1.23 -3.82 -1.68 -0.02 -1.26 -0.97 135.00 127.06 1s5u n PRO 121 Ca 0.00 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1s5u n PRO 121 Cb 0.54 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1s5u n PRO 121 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1s5u s ARG 122 N -2.43 0.47 0.51 -0.52 3.52 -0.33 -4.67 118.95 115.50 1s5u s ARG 122 Ca 0.69 -0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.97 1s5u s ARG 122 Cb -0.47 0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 33.06 1s5u s ARG 122 CO 0.52 -0.11 1.17 0.00 -0.81 0.00 0.00 175.30 176.07 1s5u s ALA 123 N -0.89 2.82 0.28 6.12 0.00 -1.26 -4.44 121.76 124.39 1s5u s ALA 123 Ca -0.10 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1s5u s ALA 123 Cb -0.05 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1s5u s ALA 123 CO 0.02 -0.78 1.54 -0.51 0.00 0.00 0.00 175.76 176.03 1s5u s LEU 124 N -3.43 4.36 0.58 0.00 1.43 0.13 -4.93 118.68 116.81 1s5u s LEU 124 Ca 0.69 2.86 -0.20 0.00 -1.03 0.00 0.00 54.13 56.44 1s5u s LEU 124 Cb -0.28 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1s5u s LEU 124 CO 0.32 -0.84 1.28 -2.65 0.23 0.00 0.00 176.35 174.70 1s5u n PRO 125 N 2.16 1.42 0.28 1.29 -0.02 -1.26 -4.80 135.00 134.08 1s5u n PRO 125 Ca 0.07 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1s5u n PRO 125 Cb 0.38 -2.50 0.81 0.00 -0.02 0.00 0.00 33.50 32.17 1s5u n PRO 125 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1s5u h LYS 126 N 1.06 0.00 -0.51 -0.52 2.10 -1.99 -1.44 116.57 115.28 1s5u h LYS 126 Ca -0.50 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.07 1s5u h LYS 126 Cb 1.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1s5u h LYS 126 CO 0.55 0.03 0.00 0.66 -2.00 0.00 0.00 179.45 178.69 1s5u h SER 127 N 0.00 0.82 -0.12 7.07 4.64 -1.99 0.22 113.55 124.19 1s5u h SER 127 Ca -0.00 -0.21 -0.17 0.00 -0.47 0.00 0.00 61.79 60.94 1s5u h SER 127 Cb 0.06 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1s5u h SER 127 CO 0.00 0.89 -0.59 0.40 -0.87 0.00 0.00 176.83 176.66 1s5u h ILE 128 N 0.79 1.34 -0.59 0.95 2.04 -1.64 -1.35 117.51 119.05 1s5u h ILE 128 Ca 0.15 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 1s5u h ILE 128 Cb 0.48 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1s5u h ILE 128 CO 0.02 0.57 0.36 0.58 0.00 0.00 0.00 178.15 179.68 1s5u h VAL 129 N 0.26 1.17 -0.46 1.67 2.07 -1.14 -1.85 116.25 117.98 1s5u h VAL 129 Ca -0.04 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1s5u h VAL 129 Cb 1.23 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1s5u h VAL 129 CO 0.12 0.18 0.13 0.00 0.02 0.00 0.00 177.57 178.02 1s5u h ALA 130 N 1.18 0.60 -0.34 1.67 0.00 -0.55 -3.21 119.26 118.62 1s5u h ALA 130 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s5u h ALA 130 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1s5u h ALA 130 CO -0.04 0.26 0.16 1.49 0.00 0.00 0.00 179.25 181.13 1s5u h GLU 131 N 0.61 0.48 -0.03 0.00 4.57 -0.97 -3.51 114.58 115.73 1s5u h GLU 131 Ca 0.15 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1s5u h GLU 131 Cb 0.28 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1s5u h GLU 131 CO -0.00 0.44 0.00 1.19 -1.18 0.00 0.00 179.01 179.46