#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 4.56 -0.10 -4.42 2.96 -1.26 -4.60 118.68 115.82 1s5u s LEU 5 Ca 0.00 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 1s5u s LEU 5 Cb 0.00 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1s5u s LEU 5 CO 0.00 -0.27 0.33 0.12 -1.32 0.00 0.00 176.35 175.21 1s5u s PHE 6 N 1.76 3.56 -0.07 5.38 5.36 0.35 -4.91 117.98 129.41 1s5u s PHE 6 Ca 0.07 0.73 0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1s5u s PHE 6 Cb -0.17 -2.30 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1s5u s PHE 6 CO 0.11 0.41 -0.15 1.03 -1.46 0.00 0.00 175.22 175.15 1s5u s ARG 7 N -0.15 2.70 -0.04 10.12 0.52 -1.26 -0.08 118.95 130.75 1s5u s ARG 7 Ca 0.19 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1s5u s ARG 7 Cb -0.14 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 32.95 1s5u s ARG 7 CO 0.07 0.51 0.04 -0.46 0.02 0.00 0.00 175.30 175.47 1s5u s TRP 8 N -0.43 0.23 0.34 -0.53 -0.11 0.03 -4.97 118.94 113.51 1s5u s TRP 8 Ca 0.05 0.12 -0.24 0.00 1.22 0.00 0.00 56.10 57.25 1s5u s TRP 8 Cb -0.12 -0.52 -0.10 0.00 -1.50 0.00 0.00 33.47 31.23 1s5u s TRP 8 CO 0.02 -0.21 0.92 -1.25 -4.62 0.00 0.00 176.95 171.82 1s5u s PRO 9 N 1.88 4.45 -0.07 5.86 0.04 -1.26 -0.04 135.00 145.86 1s5u s PRO 9 Ca 0.02 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 1s5u s PRO 9 Cb -0.12 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.82 1s5u s PRO 9 CO -0.03 0.21 0.15 0.08 0.04 0.00 0.00 177.00 177.44 1s5u s VAL 10 N -1.76 -0.11 -0.07 -0.36 1.01 -0.47 -4.93 120.40 113.71 1s5u s VAL 10 Ca 0.53 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.61 1s5u s VAL 10 Cb -0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1s5u s VAL 10 CO 0.21 0.10 0.34 -0.60 0.00 0.00 0.00 175.10 175.14 1s5u s ARG 11 N 1.50 3.94 -0.18 2.72 6.06 -1.26 0.20 118.95 131.93 1s5u s ARG 11 Ca -0.06 0.25 -0.22 0.00 -2.50 0.00 0.00 55.73 53.20 1s5u s ARG 11 Cb -0.12 -3.28 -0.02 0.00 0.06 0.00 0.00 34.95 31.59 1s5u s ARG 11 CO -0.06 0.57 0.69 0.08 -2.50 0.00 0.00 175.30 174.09 1s5u s VAL 12 N -0.61 4.98 0.38 7.11 1.01 -0.46 -4.99 120.40 127.83 1s5u s VAL 12 Ca 0.21 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1s5u s VAL 12 Cb -0.15 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1s5u s VAL 12 CO 0.09 0.10 0.13 -0.31 0.00 0.00 0.00 175.10 175.12 1s5u s TYR 13 N 1.86 2.61 0.29 5.22 2.02 -1.26 -0.91 117.35 127.19 1s5u s TYR 13 Ca 0.32 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 1s5u s TYR 13 Cb -0.16 -1.79 0.70 0.00 -0.40 0.00 0.00 41.96 40.31 1s5u s TYR 13 CO 0.12 0.28 1.74 1.88 -1.57 0.00 0.00 175.55 178.00 1s5u h TYR 14 N 1.54 0.85 -0.32 2.71 -1.99 -1.97 0.78 116.97 118.57 1s5u h TYR 14 Ca -0.43 0.04 0.09 0.00 2.00 0.00 0.00 58.73 60.43 1s5u h TYR 14 Cb 1.25 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1s5u h TYR 14 CO 0.65 0.10 0.39 1.05 -0.00 0.00 0.00 178.16 180.35 1s5u h GLU 15 N 0.58 0.00 0.00 4.88 4.11 -2.01 -0.91 114.58 121.23 1s5u h GLU 15 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1s5u h GLU 15 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1s5u h GLU 15 CO -0.44 0.00 -0.84 -0.25 0.07 0.00 0.00 179.01 177.55 1s5u n ASP 16 N -3.62 0.63 -4.97 3.06 8.00 0.26 -4.96 116.55 114.95 1s5u n ASP 16 Ca 0.05 -0.17 -0.21 0.00 0.71 0.00 0.00 54.79 55.17 1s5u n ASP 16 Cb 0.54 0.56 0.01 0.00 -0.02 0.00 0.00 41.12 42.21 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 -3.15 3.84 0.43 -3.53 -4.23 -0.35 -0.87 115.64 107.79 1s5u s THR 17 Ca 0.06 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1s5u s THR 17 Cb 0.15 -3.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 1s5u s THR 17 CO 0.77 -0.22 0.09 1.51 -0.54 0.00 0.00 174.62 176.23 1s5u s ASP 18 N -4.23 3.11 0.36 3.99 1.47 -0.09 -4.64 116.67 116.64 1s5u s ASP 18 Ca 0.48 -1.65 0.23 0.00 1.18 0.00 0.00 52.55 52.80 1s5u s ASP 18 Cb -0.10 0.46 1.26 0.00 -0.34 0.00 0.00 42.92 44.20 1s5u s ASP 18 CO 0.35 -0.89 1.70 0.00 0.68 0.00 0.00 175.17 177.02 1s5u h ALA 19 N 1.70 1.02 0.00 2.11 0.00 -2.00 0.52 119.26 122.61 1s5u h ALA 19 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1s5u h ALA 19 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1s5u h ALA 19 CO 0.62 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1s5u n GLY 20 N -1.28 -1.19 1.54 0.00 0.00 -1.26 -4.87 105.19 98.14 1s5u n GLY 20 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.63 0.56 3.33 -0.02 0.00 0.17 -5.05 105.19 104.82 1s5u n GLY 21 Ca 0.06 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 0.26 0.20 1.61 -7.23 -1.25 -4.62 120.40 107.36 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 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1s5u s VAL 22 CO 0.00 0.00 1.29 -0.69 -0.31 0.00 0.00 175.10 175.39 1s5u s VAL 23 N -3.57 3.27 0.20 1.32 1.01 -0.56 -0.91 120.40 121.16 1s5u s VAL 23 Ca 0.36 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 63.08 1s5u s VAL 23 Cb 0.04 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 1s5u s VAL 23 CO 0.19 0.16 1.52 -0.47 0.00 0.00 0.00 175.10 176.49 1s5u s TYR 24 N 0.09 3.04 0.56 5.22 5.04 -0.05 -4.82 117.35 126.44 1s5u s TYR 24 Ca 0.56 0.79 0.27 0.00 -2.44 0.00 0.00 57.07 56.25 1s5u s TYR 24 Cb -0.36 -3.88 1.47 0.00 0.35 0.00 0.00 41.96 39.54 1s5u s TYR 24 CO 0.38 -3.11 1.99 1.12 -1.34 0.00 0.00 175.55 174.59 1s5u h HIS 25 N 6.10 0.00 0.00 4.97 2.07 -1.93 0.86 115.15 127.22 1s5u h HIS 25 Ca -0.44 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.01 1s5u h HIS 25 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 1s5u h HIS 25 CO 0.63 0.00 -0.35 0.00 -3.07 0.00 0.00 177.93 175.13 1s5u h ALA 26 N 1.68 0.88 -0.28 6.11 0.00 -1.96 -3.08 119.26 122.62 1s5u h ALA 26 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1s5u h ALA 26 Cb 0.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1s5u h ALA 26 CO -0.00 0.44 -0.07 0.77 0.00 0.00 0.00 179.25 180.39 1s5u h SER 27 N 0.00 0.42 -0.67 0.00 0.02 -1.13 -2.19 113.55 109.99 1s5u h SER 27 Ca -0.00 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1s5u h SER 27 Cb 1.03 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 1s5u h SER 27 CO 0.05 0.54 0.25 1.88 -1.14 0.00 0.00 176.83 178.41 1s5u h TYR 28 N 0.42 1.06 -0.71 3.45 0.05 -1.58 -1.25 116.97 118.41 1s5u h TYR 28 Ca 0.09 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1s5u h TYR 28 Cb 0.40 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.77 1s5u h TYR 28 CO 0.01 0.82 0.44 0.28 -1.05 0.00 0.00 178.16 178.66 1s5u h VAL 29 N 1.01 1.07 -0.70 -2.88 2.07 -1.48 -0.03 116.25 115.32 1s5u h VAL 29 Ca 0.23 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1s5u h VAL 29 Cb 0.23 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1s5u h VAL 29 CO -0.02 0.15 0.15 0.00 0.02 0.00 0.00 177.57 177.88 1s5u h ALA 30 N 1.32 0.95 -0.74 1.67 0.00 -1.19 -2.19 119.26 119.08 1s5u h ALA 30 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1s5u h ALA 30 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1s5u h ALA 30 CO -0.12 0.67 0.47 0.74 0.00 0.00 0.00 179.25 181.00 1s5u h PHE 31 N 1.06 0.88 -0.89 0.00 0.04 -0.17 -1.54 116.94 116.33 1s5u h PHE 31 Ca 0.22 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.00 1s5u h PHE 31 Cb 0.39 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 1s5u h PHE 31 CO 0.03 0.52 0.50 1.88 -0.60 0.00 0.00 178.31 180.63 1s5u h TYR 32 N 0.93 1.22 -0.51 -0.55 0.05 -0.69 -2.23 116.97 115.19 1s5u h TYR 32 Ca 0.29 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 1s5u h TYR 32 Cb -0.01 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.32 1s5u h TYR 32 CO -0.03 0.83 0.26 1.49 -1.05 0.00 0.00 178.16 179.66 1s5u h GLU 33 N 1.25 0.72 -0.52 4.88 4.22 -0.75 -1.94 114.58 122.45 1s5u h GLU 33 Ca 0.32 -0.09 0.02 0.00 0.08 0.00 0.00 59.36 59.68 1s5u h GLU 33 Cb 0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1s5u h GLU 33 CO -0.05 0.58 0.32 0.00 -2.18 0.00 0.00 179.01 177.68 1s5u h ARG 34 N 0.68 0.62 -0.84 1.92 3.08 -0.94 -1.09 114.38 117.81 1s5u h ARG 34 Ca 0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1s5u h ARG 34 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1s5u h ARG 34 CO -0.03 0.41 0.43 0.00 -1.07 0.00 0.00 179.97 179.71 1s5u h ALA 35 N 1.22 1.07 -0.63 0.04 0.00 -1.09 0.15 119.26 120.02 1s5u h ALA 35 Ca 0.20 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1s5u h ALA 35 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1s5u h ALA 35 CO -0.08 0.61 0.03 0.00 0.00 0.00 0.00 179.25 179.81 1s5u h ARG 36 N 1.17 1.09 -0.67 0.00 3.08 -0.99 0.29 114.38 118.36 1s5u h ARG 36 Ca 0.29 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1s5u h ARG 36 Cb 0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1s5u h ARG 36 CO -0.04 1.05 0.29 1.15 -1.07 0.00 0.00 179.97 181.34 1s5u h THR 37 N 1.00 1.23 -0.07 2.04 2.02 -0.56 -1.82 112.91 116.76 1s5u h THR 37 Ca 0.18 -0.71 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 1s5u h THR 37 Cb 0.53 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1s5u h THR 37 CO 0.03 0.29 -0.55 -0.33 0.37 0.00 0.00 175.52 175.33 1s5u h GLU 38 N 0.94 0.21 -0.31 6.66 4.39 -0.40 -0.61 114.58 125.45 1s5u h GLU 38 Ca 0.22 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1s5u h GLU 38 Cb 0.17 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1s5u h GLU 38 CO -0.02 0.70 0.08 1.98 -1.16 0.00 0.00 179.01 180.59 1s5u h MET 39 N 0.16 0.50 -0.68 2.33 4.05 -0.62 -0.87 114.93 119.80 1s5u h MET 39 Ca 0.00 -0.12 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 1s5u h MET 39 Cb 1.02 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 1s5u h MET 39 CO 0.08 0.56 0.29 -0.07 0.23 0.00 0.00 176.91 178.00 1s5u h LEU 40 N 0.35 0.92 -1.38 3.39 3.38 -1.19 -2.34 115.31 118.44 1s5u h LEU 40 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s5u h LEU 40 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1s5u h LEU 40 CO -0.00 0.83 0.40 -0.09 0.09 0.00 0.00 178.44 179.67 1s5u h ARG 41 N 0.96 0.81 -0.03 1.13 2.43 -0.81 0.11 114.38 118.99 1s5u h ARG 41 Ca 0.23 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1s5u h ARG 41 Cb 0.18 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1s5u h ARG 41 CO -0.02 0.55 0.02 1.25 -1.51 0.00 0.00 179.97 180.26 1s5u h HIS 42 N 0.83 0.00 -0.62 2.20 2.76 -0.60 0.05 115.15 119.77 1s5u h HIS 42 Ca 0.22 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1s5u h HIS 42 Cb -0.08 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1s5u h HIS 42 CO 0.00 0.00 0.07 0.72 -1.30 0.00 0.00 177.93 177.42 1s5u n HIS 43 N -4.38 2.19 -1.14 5.26 8.25 -0.43 -4.90 115.22 120.07 1s5u n HIS 43 Ca -0.02 -0.84 -0.05 0.00 -0.26 0.00 0.00 57.72 56.54 1s5u n HIS 43 Cb 0.12 -0.56 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 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 0.43 0.00 -2.62 4.41 -0.00 0.00 -4.91 115.22 112.53 1s5u n HIS 44 Ca 0.31 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.61 1s5u n HIS 44 Cb 1.25 -1.53 0.01 0.00 -0.00 0.00 0.00 29.99 29.72 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 -2.55 2.55 -1.50 4.41 3.72 0.26 -4.80 117.46 119.56 1s5u n PHE 45 Ca -0.05 -2.65 -0.29 0.00 -0.05 0.00 0.00 57.45 54.41 1s5u n PHE 45 Cb 0.31 -1.48 0.13 0.00 -0.94 0.00 0.00 39.48 37.50 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 -0.79 3.63 0.20 4.37 1.04 -1.26 -3.59 113.70 117.31 1s5u s SER 46 Ca 0.38 1.07 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 1s5u s SER 46 Cb 0.11 -1.69 0.14 0.00 0.10 0.00 0.00 66.02 64.68 1s5u s SER 46 CO 0.00 -2.48 1.84 -0.61 0.98 0.00 0.00 173.24 172.97 1s5u h GLN 47 N -1.45 0.99 0.00 4.02 5.75 -1.95 -0.84 115.11 121.64 1s5u h GLN 47 Ca -0.50 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 57.86 1s5u h GLN 47 Cb 1.32 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 1s5u h GLN 47 CO 0.61 0.71 -0.21 -0.56 -2.65 0.00 0.00 178.83 176.73 1s5u h GLN 48 N 1.00 0.00 -0.36 1.69 3.07 -1.98 0.57 115.11 119.10 1s5u h GLN 48 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.88 1s5u h GLN 48 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 1s5u h GLN 48 CO -0.05 0.21 -0.24 0.00 0.09 0.00 0.00 178.83 178.84 1s5u h ALA 49 N 1.79 0.51 -0.26 0.06 0.00 -1.59 -0.10 119.26 119.69 1s5u h ALA 49 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1s5u h ALA 49 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s5u h ALA 49 CO 0.03 0.50 -0.19 -0.07 0.00 0.00 0.00 179.25 179.52 1s5u h LEU 50 N 0.59 0.61 -1.12 0.00 3.38 -0.06 -2.92 115.31 115.79 1s5u h LEU 50 Ca 0.07 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1s5u h LEU 50 Cb 0.80 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1s5u h LEU 50 CO 0.07 0.93 0.60 -0.03 0.09 0.00 0.00 178.44 180.09 1s5u h MET 51 N 0.30 1.04 -0.07 1.13 4.05 0.18 -0.70 114.93 120.87 1s5u h MET 51 Ca 0.05 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1s5u h MET 51 Cb 0.73 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1s5u h MET 51 CO 0.05 0.69 0.04 0.00 0.23 0.00 0.00 176.91 177.92 1s5u h ALA 52 N 1.49 1.97 -0.72 0.39 0.00 -0.82 0.16 119.26 121.74 1s5u h ALA 52 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1s5u h ALA 52 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1s5u h ALA 52 CO -0.15 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.51 1s5u n GLU 53 N -4.53 3.01 -3.50 0.00 1.02 -0.47 -4.96 120.64 111.22 1s5u n GLU 53 Ca -0.02 -2.74 -0.21 0.00 -0.02 0.00 0.00 57.16 54.18 1s5u n GLU 53 Cb 0.10 -1.67 0.06 0.00 -0.02 0.00 0.00 31.44 29.91 1s5u n GLU 53 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1s5u n ARG 54 N 1.54 -3.54 -4.10 3.49 0.00 0.58 -5.01 116.66 109.61 1s5u n ARG 54 Ca 0.25 0.71 -0.14 0.00 -0.00 0.00 0.00 57.85 58.67 1s5u n ARG 54 Cb 0.70 -5.30 -0.13 0.00 0.00 0.00 0.00 32.46 27.73 1s5u n ARG 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1s5u s VAL 55 N -3.48 0.45 0.08 5.15 -7.23 -0.40 -4.39 120.40 110.59 1s5u s VAL 55 Ca 0.25 -0.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 1s5u s VAL 55 Cb -0.06 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1s5u s VAL 55 CO 0.78 -0.14 -0.06 0.00 -0.31 0.00 0.00 175.10 175.38 1s5u s ALA 56 N -0.75 0.81 -0.07 1.32 0.00 -0.10 -3.95 121.76 119.02 1s5u s ALA 56 Ca -0.04 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1s5u s ALA 56 Cb -0.06 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1s5u s ALA 56 CO 0.00 -0.26 -0.18 -0.06 0.00 0.00 0.00 175.76 175.27 1s5u s PHE 57 N -3.54 1.89 0.02 0.00 0.08 -1.26 -1.06 117.98 114.10 1s5u s PHE 57 Ca 0.09 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.52 1s5u s PHE 57 Cb 0.05 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1s5u s PHE 57 CO -0.06 -0.28 -0.18 0.14 -0.10 0.00 0.00 175.22 174.73 1s5u s VAL 58 N 0.36 1.46 0.06 -0.44 -7.23 -0.66 -4.94 120.40 109.01 1s5u s VAL 58 Ca -0.12 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1s5u s VAL 58 Cb -0.15 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 1s5u s VAL 58 CO 0.05 0.27 1.13 -0.69 -0.31 0.00 0.00 175.10 175.54 1s5u s VAL 59 N -0.63 4.24 -0.07 1.32 1.01 -1.26 -0.79 120.40 124.22 1s5u s VAL 59 Ca 0.06 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1s5u s VAL 59 Cb -0.08 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1s5u s VAL 59 CO 0.01 0.14 0.09 0.54 0.00 0.00 0.00 175.10 175.88 1s5u n ARG 60 N 3.75 3.34 -3.66 2.72 5.12 0.12 -4.93 116.66 123.13 1s5u n ARG 60 Ca 0.07 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 1s5u n ARG 60 Cb 0.48 -0.83 -0.08 0.00 -1.16 0.00 0.00 32.46 30.86 1s5u n ARG 60 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1s5u s LYS 61 N -1.69 0.65 -0.14 5.56 2.20 -1.16 -5.00 119.74 120.16 1s5u s LYS 61 Ca 0.00 1.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.58 1s5u s LYS 61 Cb 0.02 0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.57 1s5u s LYS 61 CO 0.12 -0.13 0.30 1.41 -0.36 0.00 0.00 175.35 176.68 1s5u s MET 62 N 1.19 0.22 -0.12 4.03 1.75 -1.26 -0.65 119.30 124.47 1s5u s MET 62 Ca -0.07 0.72 0.03 0.00 -1.25 0.00 0.00 55.69 55.12 1s5u s MET 62 Cb -0.06 -0.02 -0.00 0.00 2.84 0.00 0.00 34.83 37.60 1s5u s MET 62 CO -0.12 -0.22 -0.21 0.99 -0.65 0.00 0.00 175.02 174.81 1s5u s THR 63 N 1.91 2.26 -0.06 10.11 2.01 -0.81 -4.99 115.64 126.06 1s5u s THR 63 Ca -0.04 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.06 1s5u s THR 63 Cb -0.11 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.51 1s5u s THR 63 CO -0.10 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.52 1s5u s VAL 64 N 0.47 1.48 -0.19 3.82 1.01 -1.26 -1.51 120.40 124.21 1s5u s VAL 64 Ca -0.14 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1s5u s VAL 64 Cb -0.17 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1s5u s VAL 64 CO 0.06 0.43 -0.03 -1.61 0.00 0.00 0.00 175.10 173.94 1s5u s GLU 65 N 0.31 3.55 -0.25 2.72 0.41 -0.22 -4.98 118.70 120.24 1s5u s GLU 65 Ca -0.11 -0.56 -0.08 0.00 -0.41 0.00 0.00 54.97 53.81 1s5u s GLU 65 Cb -0.14 -2.98 -0.03 0.00 -1.78 0.00 0.00 34.13 29.19 1s5u s GLU 65 CO 0.04 0.03 0.09 0.71 -0.49 0.00 0.00 175.26 175.64 1s5u s TYR 66 N 0.93 3.12 -0.16 1.61 2.02 -1.26 -1.77 117.35 121.83 1s5u s TYR 66 Ca 0.00 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1s5u s TYR 66 Cb -0.15 -2.25 -0.09 0.00 -0.40 0.00 0.00 41.96 39.08 1s5u s TYR 66 CO 0.01 -0.28 -0.17 0.66 -1.57 0.00 0.00 175.55 174.20 1s5u n TYR 67 N 4.82 0.00 -3.80 2.71 4.01 0.89 -5.00 117.16 120.79 1s5u n TYR 67 Ca -0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.46 1s5u n TYR 67 Cb 0.52 -0.60 -0.08 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.31 -0.57 0.45 -0.72 0.00 -0.58 -5.03 121.76 112.99 1s5u s ALA 68 Ca -0.22 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 1s5u s ALA 68 Cb 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1s5u s ALA 68 CO 0.34 -0.31 0.78 -1.25 0.00 0.00 0.00 175.76 175.31 1s5u s PRO 69 N -1.95 3.64 0.13 0.00 0.04 -1.26 -4.55 135.00 131.05 1s5u s PRO 69 Ca -0.10 0.31 0.05 0.00 0.04 0.00 0.00 61.00 61.31 1s5u s PRO 69 Cb -0.03 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1s5u s PRO 69 CO -0.00 -0.13 0.04 0.00 0.04 0.00 0.00 177.00 176.95 1s5u s ALA 70 N -2.58 3.37 0.40 8.56 0.00 -1.26 -5.01 121.76 125.24 1s5u s ALA 70 Ca 0.49 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1s5u s ALA 70 Cb -0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1s5u s ALA 70 CO 0.39 0.59 0.05 1.03 0.00 0.00 0.00 175.76 177.82 1s5u s ARG 71 N -2.72 1.89 0.11 0.00 0.52 -1.26 -1.49 118.95 115.99 1s5u s ARG 71 Ca 0.28 -2.11 -0.36 0.00 -0.52 0.00 0.00 55.73 53.02 1s5u s ARG 71 Cb -0.11 -1.12 -0.16 0.00 0.52 0.00 0.00 34.95 34.08 1s5u s ARG 71 CO 0.20 -0.25 1.36 -0.11 0.02 0.00 0.00 175.30 176.52 1s5u n LEU 72 N -0.91 1.88 0.00 2.53 7.94 -1.26 -1.78 117.00 125.40 1s5u n LEU 72 Ca -0.07 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 1s5u n LEU 72 Cb 0.66 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.38 1s5u n LEU 72 CO 0.42 -0.95 0.00 -0.67 -1.11 0.00 0.00 177.39 175.08 1s5u n ASP 73 N 2.59 -2.77 -4.77 1.96 2.03 -0.08 -5.00 116.55 110.50 1s5u n ASP 73 Ca 0.18 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.11 1s5u n ASP 73 Cb 0.21 -1.31 -0.01 0.00 -0.72 0.00 0.00 41.12 39.29 1s5u n ASP 73 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1s5u s ASP 74 N -2.21 6.33 -0.30 1.67 1.01 -0.73 -4.70 116.67 117.74 1s5u s ASP 74 Ca 0.00 2.34 -0.10 0.00 0.71 0.00 0.00 52.55 55.50 1s5u s ASP 74 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1s5u s ASP 74 CO 0.00 -0.81 0.15 -0.32 0.21 0.00 0.00 175.17 174.40 1s5u s MET 75 N -2.50 3.39 0.39 8.23 -2.45 -1.26 -1.36 119.30 123.74 1s5u s MET 75 Ca 0.60 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 54.44 1s5u s MET 75 Cb -0.30 -3.55 -0.01 0.00 1.25 0.00 0.00 34.83 32.22 1s5u s MET 75 CO 0.37 -0.39 0.42 -0.51 1.05 0.00 0.00 175.02 175.96 1s5u s LEU 76 N 1.62 3.59 -0.09 4.11 1.43 0.13 -3.30 118.68 126.17 1s5u s LEU 76 Ca 0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1s5u s LEU 76 Cb -0.17 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1s5u s LEU 76 CO 0.06 -0.58 -0.07 -0.70 0.23 0.00 0.00 176.35 175.28 1s5u s GLU 77 N -4.16 1.36 -0.16 1.70 2.12 -0.44 -1.37 118.70 117.75 1s5u s GLU 77 Ca 0.48 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.46 1s5u s GLU 77 Cb -0.06 -1.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.91 1s5u s GLU 77 CO 0.29 -0.18 0.25 0.42 -0.54 0.00 0.00 175.26 175.51 1s5u s ILE 78 N 1.39 5.33 -0.14 -3.70 -1.09 0.94 -1.87 121.20 122.06 1s5u s ILE 78 Ca -0.02 0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1s5u s ILE 78 Cb -0.14 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1s5u s ILE 78 CO -0.04 0.42 -0.11 -1.10 -1.23 0.00 0.00 174.94 172.88 1s5u s GLN 79 N 0.27 3.42 0.02 2.79 -0.21 0.59 -0.79 119.66 125.75 1s5u s GLN 79 Ca 0.15 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 54.91 1s5u s GLN 79 Cb -0.13 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 1s5u s GLN 79 CO 0.03 0.19 -0.12 0.99 -2.12 0.00 0.00 175.29 174.26 1s5u s THR 80 N 0.44 0.91 -0.11 -0.19 2.01 0.88 -1.47 115.64 118.11 1s5u s THR 80 Ca -0.09 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 1s5u s THR 80 Cb -0.16 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1s5u s THR 80 CO 0.04 0.01 0.40 -0.70 -0.69 0.00 0.00 174.62 173.69 1s5u s GLU 81 N -0.90 0.55 -0.39 4.92 2.12 -0.73 -0.50 118.70 123.76 1s5u s GLU 81 Ca 0.01 0.36 -0.20 0.00 0.36 0.00 0.00 54.97 55.50 1s5u s GLU 81 Cb -0.07 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.60 1s5u s GLU 81 CO 0.01 -0.10 0.58 0.42 -0.54 0.00 0.00 175.26 175.63 1s5u s ILE 82 N -0.24 4.92 -1.69 -3.70 1.01 -1.26 -0.77 121.20 119.47 1s5u s ILE 82 Ca -0.04 0.23 0.22 0.00 0.00 0.00 0.00 60.65 61.06 1s5u s ILE 82 Cb -0.03 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1s5u s ILE 82 CO 0.02 -0.42 1.03 0.35 0.00 0.00 0.00 174.94 175.93 1s5u n THR 83 N 5.64 0.00 -3.63 2.92 -2.24 -0.36 -4.96 114.28 111.65 1s5u n THR 83 Ca -0.03 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 1s5u n THR 83 Cb 0.48 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.65 -0.67 -0.02 3.42 0.15 -1.19 -4.98 113.70 107.75 1s5u s SER 84 Ca 0.15 1.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 1s5u s SER 84 Cb 0.17 1.18 0.02 0.00 -1.71 0.00 0.00 66.02 65.68 1s5u s SER 84 CO 0.67 -0.30 0.04 -0.32 1.20 0.00 0.00 173.24 174.53 1s5u s MET 85 N 0.03 0.01 0.21 5.44 1.75 -1.26 -0.52 119.30 124.96 1s5u s MET 85 Ca -0.02 0.14 0.02 0.00 -1.25 0.00 0.00 55.69 54.58 1s5u s MET 85 Cb -0.04 -0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.51 1s5u s MET 85 CO 0.03 -0.09 0.08 0.54 -0.65 0.00 0.00 175.02 174.92 1s5u n ARG 86 N 3.67 0.74 -0.32 4.11 1.74 -0.15 -5.01 116.66 121.44 1s5u n ARG 86 Ca -0.20 -1.77 0.12 0.00 -0.77 0.00 0.00 57.85 55.22 1s5u n ARG 86 Cb 0.55 0.97 0.33 0.00 -1.02 0.00 0.00 32.46 33.29 1s5u n ARG 86 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1s5u h GLY 87 N 0.84 1.51 0.00 -0.13 0.00 -2.00 -3.19 103.07 100.10 1s5u h GLY 87 Ca -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1s5u h GLY 87 CO 0.26 0.04 0.00 -1.30 0.00 0.00 0.00 176.54 175.54 1s5u n THR 88 N -4.64 0.49 -4.09 4.70 -2.24 -1.26 -1.23 114.28 106.01 1s5u n THR 88 Ca 0.20 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 1s5u n THR 88 Cb 0.50 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.49 0.10 0.02 3.42 1.04 -1.21 -0.36 113.70 116.22 1s5u s SER 89 Ca 0.00 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.31 1s5u s SER 89 Cb 0.00 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1s5u s SER 89 CO 0.00 -0.90 -0.05 -0.76 0.98 0.00 0.00 173.24 172.51 1s5u s LEU 90 N -3.06 2.16 -0.16 2.42 1.43 -0.33 -0.98 118.68 120.16 1s5u s LEU 90 Ca 0.28 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1s5u s LEU 90 Cb 0.04 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.16 1s5u s LEU 90 CO 0.07 -0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 175.66 1s5u s VAL 91 N -0.94 2.60 -0.14 -1.59 1.01 0.33 -1.08 120.40 120.59 1s5u s VAL 91 Ca -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1s5u s VAL 91 Cb -0.07 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1s5u s VAL 91 CO -0.00 0.52 0.01 -0.36 0.00 0.00 0.00 175.10 175.26 1s5u s PHE 92 N 0.88 3.16 -0.21 5.22 0.08 0.32 -1.22 117.98 126.20 1s5u s PHE 92 Ca -0.04 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.97 1s5u s PHE 92 Cb -0.15 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1s5u s PHE 92 CO -0.01 0.22 -0.03 0.99 -0.10 0.00 0.00 175.22 176.29 1s5u s THR 93 N -0.10 3.60 0.11 0.64 2.01 0.05 -0.49 115.64 121.46 1s5u s THR 93 Ca 0.04 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.67 1s5u s THR 93 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1s5u s THR 93 CO 0.02 0.42 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.16 1s5u s GLN 94 N 1.29 0.91 0.03 4.92 -0.21 0.08 -1.78 119.66 124.91 1s5u s GLN 94 Ca 0.04 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 54.09 1s5u s GLN 94 Cb -0.14 -0.64 0.01 0.00 1.00 0.00 0.00 33.01 33.24 1s5u s GLN 94 CO -0.01 0.10 0.26 1.03 -2.12 0.00 0.00 175.29 174.56 1s5u s ARG 95 N -2.85 0.73 -0.10 2.91 0.52 -0.54 -0.06 118.95 119.56 1s5u s ARG 95 Ca 0.07 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 1s5u s ARG 95 Cb -0.03 0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.77 1s5u s ARG 95 CO 0.01 -0.22 -0.16 0.42 0.02 0.00 0.00 175.30 175.37 1s5u s ILE 96 N -2.31 1.54 0.18 1.52 1.01 -0.18 -0.30 121.20 122.67 1s5u s ILE 96 Ca -0.07 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 59.99 1s5u s ILE 96 Cb -0.02 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1s5u s ILE 96 CO -0.02 0.45 -0.18 0.68 0.00 0.00 0.00 174.94 175.87 1s5u s VAL 97 N 0.84 1.87 0.24 2.92 -7.23 -0.78 -0.65 120.40 117.61 1s5u s VAL 97 Ca -0.09 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 1s5u s VAL 97 Cb -0.15 -1.93 0.04 0.00 0.56 0.00 0.00 36.38 34.90 1s5u s VAL 97 CO 0.01 -0.37 0.34 -0.46 -0.31 0.00 0.00 175.10 174.30 1s5u n ASN 98 N 0.09 0.78 0.21 4.85 0.23 -0.76 -1.32 115.26 119.34 1s5u n ASN 98 Ca -0.12 -1.58 0.16 0.00 -0.53 0.00 0.00 54.58 52.51 1s5u n ASN 98 Cb 0.58 -0.19 0.80 0.00 -2.08 0.00 0.00 39.78 38.89 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 0.18 1.87 -0.33 -2.53 0.00 -1.91 0.71 119.26 117.25 1s5u h ALA 99 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s5u h ALA 99 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1s5u h ALA 99 CO 0.15 -0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1s5u n GLU 100 N -4.01 2.01 -1.99 0.00 1.02 -1.26 -4.91 120.64 111.51 1s5u n GLU 100 Ca 0.01 -1.55 -0.11 0.00 -0.02 0.00 0.00 57.16 55.49 1s5u n GLU 100 Cb 0.27 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1s5u n GLU 100 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1s5u n ASN 101 N 0.76 -3.77 -4.71 1.62 5.15 0.24 -5.00 115.26 109.55 1s5u n ASN 101 Ca 0.16 0.06 -0.41 0.00 -0.60 0.00 0.00 54.58 53.79 1s5u n ASN 101 Cb 0.41 -2.81 -0.04 0.00 -0.53 0.00 0.00 39.78 36.80 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 -2.51 4.90 -0.37 -0.44 2.01 -1.26 -4.79 115.64 113.18 1s5u s THR 102 Ca 0.00 1.85 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 1s5u s THR 102 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1s5u s THR 102 CO 0.00 0.21 1.41 -0.22 -0.69 0.00 0.00 174.62 175.32 1s5u s LEU 103 N 0.84 3.67 -0.09 4.42 2.96 -1.26 -1.82 118.68 127.40 1s5u s LEU 103 Ca 0.47 0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 55.18 1s5u s LEU 103 Cb -0.20 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.67 1s5u s LEU 103 CO 0.25 -1.35 0.65 -0.07 -1.32 0.00 0.00 176.35 174.51 1s5u h LEU 104 N 11.89 0.40 -7.53 -0.68 3.38 -1.13 -3.38 115.31 118.27 1s5u h LEU 104 Ca -0.28 -0.87 0.19 0.00 0.09 0.00 0.00 57.88 57.01 1s5u h LEU 104 Cb 1.11 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 1s5u h LEU 104 CO 1.07 1.55 0.53 0.54 0.09 0.00 0.00 178.44 182.21 1s5u s ASN 105 N -7.01 -0.18 0.08 -0.43 2.20 -1.17 -0.08 114.94 108.35 1s5u s ASN 105 Ca -0.18 -0.32 -0.08 0.00 -0.94 0.00 0.00 52.86 51.34 1s5u s ASN 105 Cb 0.03 0.43 -0.01 0.00 -2.00 0.00 0.00 41.25 39.71 1s5u s ASN 105 CO 0.78 -0.79 0.16 -1.83 -2.94 0.00 0.00 177.10 172.48 1s5u s GLU 106 N -3.15 0.81 0.04 3.55 -1.05 -0.73 -1.01 118.70 117.15 1s5u s GLU 106 Ca 0.12 -0.98 -0.06 0.00 -0.15 0.00 0.00 54.97 53.89 1s5u s GLU 106 Cb -0.01 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1s5u s GLU 106 CO 0.00 -0.24 0.11 0.00 0.95 0.00 0.00 175.26 176.08 1s5u s ALA 107 N -3.83 -0.12 -0.14 -0.84 0.00 0.92 -1.05 121.76 116.70 1s5u s ALA 107 Ca 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1s5u s ALA 107 Cb 0.05 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1s5u s ALA 107 CO -0.11 -0.32 -0.15 -2.00 0.00 0.00 0.00 175.76 173.18 1s5u s GLU 108 N -2.56 2.31 -0.13 0.00 2.12 -0.57 -0.74 118.70 119.13 1s5u s GLU 108 Ca -0.05 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1s5u s GLU 108 Cb -0.01 -2.07 0.02 0.00 0.26 0.00 0.00 34.13 32.32 1s5u s GLU 108 CO -0.04 -0.19 -0.15 0.08 -0.54 0.00 0.00 175.26 174.41 1s5u s VAL 109 N 1.35 1.59 -0.27 3.70 1.01 0.36 -1.93 120.40 126.22 1s5u s VAL 109 Ca 0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 1s5u s VAL 109 Cb -0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1s5u s VAL 109 CO -0.08 0.46 0.26 -0.22 0.00 0.00 0.00 175.10 175.52 1s5u s LEU 110 N 1.24 4.04 -0.05 3.92 2.96 0.18 -0.52 118.68 130.45 1s5u s LEU 110 Ca -0.00 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1s5u s LEU 110 Cb -0.14 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1s5u s LEU 110 CO -0.07 -0.09 -0.23 0.68 -1.32 0.00 0.00 176.35 175.33 1s5u s VAL 111 N 1.80 2.28 -0.01 1.68 -7.23 -0.24 -0.70 120.40 117.98 1s5u s VAL 111 Ca 0.10 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 1s5u s VAL 111 Cb -0.16 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1s5u s VAL 111 CO 0.10 0.57 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.67 1s5u s VAL 112 N -0.37 3.39 -0.04 1.32 1.01 0.03 -1.19 120.40 124.54 1s5u s VAL 112 Ca 0.03 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1s5u s VAL 112 Cb -0.12 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1s5u s VAL 112 CO 0.02 0.44 0.90 0.00 0.00 0.00 0.00 175.10 176.46 1s5u s VAL 114 N 1.18 0.50 0.11 0.00 -7.23 -0.23 -1.36 120.40 113.37 1s5u s VAL 114 Ca 0.47 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.44 1s5u s VAL 114 Cb -0.19 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1s5u s VAL 114 CO 0.23 -0.78 0.90 1.51 -0.31 0.00 0.00 175.10 176.65 1s5u s ASP 115 N -3.04 7.43 0.30 4.85 -4.77 -0.25 -0.93 116.67 120.26 1s5u s ASP 115 Ca 0.15 1.71 0.04 0.00 -3.30 0.00 0.00 52.55 51.14 1s5u s ASP 115 Cb 0.06 -2.55 0.66 0.00 -1.09 0.00 0.00 42.92 40.00 1s5u s ASP 115 CO -0.04 -0.01 1.81 -0.65 0.70 0.00 0.00 175.17 176.99 1s5u h PRO 116 N 5.40 0.85 -0.87 2.11 0.11 -1.86 -2.52 132.00 135.22 1s5u h PRO 116 Ca -0.44 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1s5u h PRO 116 Cb 1.21 -0.19 -0.14 0.00 0.11 0.00 0.00 31.00 31.98 1s5u h PRO 116 CO 0.71 0.56 -0.39 1.25 -0.21 0.00 0.00 178.00 179.92 1s5u h LEU 117 N 0.87 -1.42 -5.00 2.35 5.85 -1.94 -3.38 115.31 112.65 1s5u h LEU 117 Ca 0.53 0.29 -0.11 0.00 0.84 0.00 0.00 57.88 59.43 1s5u h LEU 117 Cb 0.69 0.72 -0.15 0.00 0.37 0.00 0.00 40.66 42.29 1s5u h LEU 117 CO -0.31 -0.29 -0.36 0.29 -0.34 0.00 0.00 178.44 177.42 1s5u n LYS 118 N -5.45 0.43 -1.48 1.25 4.76 -0.97 -5.04 118.16 111.66 1s5u n LYS 118 Ca 0.08 -1.57 -0.00 0.00 -2.87 0.00 0.00 58.31 53.94 1s5u n LYS 118 Cb 0.38 -0.96 -0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1s5u n LYS 118 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1s5u n MET 119 N 2.56 -1.97 -3.65 1.97 2.81 -1.07 -4.88 117.12 112.89 1s5u n MET 119 Ca 0.14 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.66 1s5u n MET 119 Cb 0.60 -2.19 -0.06 0.00 -0.71 0.00 0.00 33.22 30.86 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 -2.44 3.86 0.37 0.03 3.01 -1.26 -4.84 119.74 118.47 1s5u s LYS 120 Ca 0.00 0.11 -0.25 0.00 -1.01 0.00 0.00 55.97 54.82 1s5u s LYS 120 Cb -0.00 -3.28 -0.12 0.00 -1.01 0.00 0.00 37.83 33.42 1s5u s LYS 120 CO 0.00 0.58 0.86 -2.30 0.51 0.00 0.00 175.35 175.00 1s5u n PRO 121 N 2.45 1.08 -3.55 -1.68 -0.02 -1.26 -1.10 135.00 130.92 1s5u n PRO 121 Ca -0.16 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.59 1s5u n PRO 121 Cb 0.53 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 1s5u n PRO 121 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1s5u s ARG 122 N -1.71 1.13 0.53 -0.52 1.70 -0.47 -4.76 118.95 114.86 1s5u s ARG 122 Ca 0.62 -0.50 -0.20 0.00 -0.47 0.00 0.00 55.73 55.18 1s5u s ARG 122 Cb -0.63 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.20 1s5u s ARG 122 CO 0.58 -0.45 1.17 0.00 -1.08 0.00 0.00 175.30 175.52 1s5u s ALA 123 N -3.41 2.74 0.48 7.88 0.00 -1.26 -4.48 121.76 123.70 1s5u s ALA 123 Ca 0.00 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.64 1s5u s ALA 123 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1s5u s ALA 123 CO -0.10 -0.86 1.37 -0.51 0.00 0.00 0.00 175.76 175.66 1s5u s LEU 124 N -3.65 4.03 0.58 0.00 1.02 -0.36 -4.95 118.68 115.36 1s5u s LEU 124 Ca 0.71 2.78 -0.20 0.00 0.02 0.00 0.00 54.13 57.45 1s5u s LEU 124 Cb -0.27 -4.07 -0.03 0.00 0.02 0.00 0.00 46.19 41.83 1s5u s LEU 124 CO 0.31 -1.25 1.29 -2.84 0.02 0.00 0.00 176.35 173.88 1s5u s PRO 125 N -2.60 2.95 0.57 1.29 0.02 -1.26 -4.83 135.00 131.14 1s5u s PRO 125 Ca 0.64 2.04 0.25 0.00 0.02 0.00 0.00 61.00 63.96 1s5u s PRO 125 Cb -0.41 -2.05 1.63 0.00 0.02 0.00 0.00 34.50 33.70 1s5u s PRO 125 CO 0.51 -1.28 2.22 0.87 -0.33 0.00 0.00 177.00 178.98 1s5u h LYS 126 N 1.06 0.00 -0.36 5.54 1.57 -1.99 -2.02 116.57 120.37 1s5u h LYS 126 Ca -0.51 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1s5u h LYS 126 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1s5u h LYS 126 CO 0.56 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 180.11 1s5u h SER 127 N 0.00 0.62 -0.39 0.86 4.64 -1.99 -1.35 113.55 115.94 1s5u h SER 127 Ca -0.00 -0.30 -0.15 0.00 -0.47 0.00 0.00 61.79 60.86 1s5u h SER 127 Cb 0.01 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1s5u h SER 127 CO 0.00 0.77 -0.35 0.40 -0.87 0.00 0.00 176.83 176.78 1s5u h ILE 128 N 0.45 1.27 -0.31 0.95 2.04 -1.76 -1.76 117.51 118.39 1s5u h ILE 128 Ca 0.10 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 1s5u h ILE 128 Cb 0.45 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1s5u h ILE 128 CO 0.02 0.51 0.03 0.58 0.00 0.00 0.00 178.15 179.29 1s5u h VAL 129 N 0.78 1.17 0.01 1.67 2.07 -1.29 -1.98 116.25 118.68 1s5u h VAL 129 Ca 0.07 -0.64 -0.26 0.00 0.82 0.00 0.00 66.70 66.69 1s5u h VAL 129 Cb 0.94 0.91 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1s5u h VAL 129 CO 0.09 0.22 -1.04 0.00 0.02 0.00 0.00 177.57 176.86 1s5u h ALA 130 N 1.60 0.17 0.07 1.67 0.00 -1.06 -3.15 119.26 118.57 1s5u h ALA 130 Ca 0.10 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1s5u h ALA 130 Cb 0.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s5u h ALA 130 CO 0.00 0.72 -0.03 1.49 0.00 0.00 0.00 179.25 181.43 1s5u h GLU 131 N 0.35 -0.09 -1.16 0.00 4.57 -1.10 -3.27 114.58 113.87 1s5u h GLU 131 Ca -0.12 0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.49 1s5u h GLU 131 Cb 1.69 0.02 -0.24 0.00 -0.16 0.00 0.00 28.75 30.05 1s5u h GLU 131 CO 0.20 0.38 0.74 1.19 -1.18 0.00 0.00 179.01 180.35 1s5u n PHE 132 N -4.89 2.74 1.82 0.92 3.01 -0.76 -5.11 117.46 115.18 1s5u n PHE 132 Ca -0.09 -2.72 0.15 0.00 1.01 0.00 0.00 57.45 55.80 1s5u n PHE 132 Cb 0.26 -1.31 0.87 0.00 -0.01 0.00 0.00 39.48 39.29 1s5u n PHE 132 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13