#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5u n LEU 5 N 0.00 2.10 -4.02 3.22 7.94 -1.26 -4.64 117.00 120.34 1s5u n LEU 5 Ca 0.00 1.09 -0.23 0.00 -1.11 0.00 0.00 56.01 55.76 1s5u n LEU 5 Cb 0.00 -1.17 -0.16 0.00 0.53 0.00 0.00 43.42 42.62 1s5u n LEU 5 CO 0.00 -0.68 -0.46 0.12 -1.11 0.00 0.00 177.39 175.26 1s5u s PHE 6 N 2.25 1.30 -0.09 1.96 5.36 -0.13 -4.97 117.98 123.66 1s5u s PHE 6 Ca 0.92 -0.42 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1s5u s PHE 6 Cb -1.01 -0.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 1s5u s PHE 6 CO 0.57 -0.20 0.01 1.03 -1.46 0.00 0.00 175.22 175.17 1s5u s ARG 7 N 0.46 3.05 -0.07 10.12 0.52 -1.26 -0.79 118.95 130.99 1s5u s ARG 7 Ca -0.10 -0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1s5u s ARG 7 Cb -0.13 -2.84 0.03 0.00 0.52 0.00 0.00 34.95 32.53 1s5u s ARG 7 CO 0.02 0.70 0.02 -0.46 0.02 0.00 0.00 175.30 175.60 1s5u s TRP 8 N -0.86 0.48 0.38 -0.53 -0.11 0.49 -4.96 118.94 113.83 1s5u s TRP 8 Ca 0.13 -0.07 -0.24 0.00 1.22 0.00 0.00 56.10 57.14 1s5u s TRP 8 Cb -0.11 -0.71 -0.10 0.00 -1.50 0.00 0.00 33.47 31.04 1s5u s TRP 8 CO 0.02 -0.31 0.97 -1.25 -4.62 0.00 0.00 176.95 171.77 1s5u s PRO 9 N 2.03 4.36 -0.09 5.86 0.04 -1.26 -0.29 135.00 145.65 1s5u s PRO 9 Ca 0.05 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 1s5u s PRO 9 Cb -0.12 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.95 1s5u s PRO 9 CO -0.05 0.07 0.20 0.08 0.04 0.00 0.00 177.00 177.34 1s5u s VAL 10 N -1.83 -0.18 -0.05 -0.36 1.01 -0.20 -4.92 120.40 113.87 1s5u s VAL 10 Ca 0.56 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 1s5u s VAL 10 Cb -0.16 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1s5u s VAL 10 CO 0.21 0.10 0.41 -0.60 0.00 0.00 0.00 175.10 175.21 1s5u s ARG 11 N 1.74 4.06 -0.21 2.72 6.06 -1.26 -0.10 118.95 131.96 1s5u s ARG 11 Ca -0.04 0.38 -0.23 0.00 -2.50 0.00 0.00 55.73 53.34 1s5u s ARG 11 Cb -0.11 -3.30 -0.02 0.00 0.06 0.00 0.00 34.95 31.58 1s5u s ARG 11 CO -0.07 0.50 0.73 0.08 -2.50 0.00 0.00 175.30 174.04 1s5u s VAL 12 N -0.45 4.93 0.44 7.11 1.01 -0.60 -4.99 120.40 127.85 1s5u s VAL 12 Ca 0.23 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.67 1s5u s VAL 12 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1s5u s VAL 12 CO 0.11 0.03 0.25 -0.31 0.00 0.00 0.00 175.10 175.18 1s5u s TYR 13 N 2.30 2.46 0.35 5.22 2.02 -1.26 -0.83 117.35 127.61 1s5u s TYR 13 Ca 0.32 -0.62 0.08 0.00 -0.37 0.00 0.00 57.07 56.49 1s5u s TYR 13 Cb -0.16 -1.99 0.80 0.00 -0.40 0.00 0.00 41.96 40.21 1s5u s TYR 13 CO 0.10 0.03 1.87 1.88 -1.57 0.00 0.00 175.55 177.85 1s5u h TYR 14 N 1.25 0.85 -0.16 2.71 -1.99 -1.97 -0.71 116.97 116.94 1s5u h TYR 14 Ca -0.42 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.38 1s5u h TYR 14 Cb 1.26 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 1s5u h TYR 14 CO 0.69 0.31 0.16 1.05 -0.00 0.00 0.00 178.16 180.37 1s5u h GLU 15 N 0.72 0.00 0.00 4.88 4.11 -2.01 -1.67 114.58 120.61 1s5u h GLU 15 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1s5u h GLU 15 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1s5u h GLU 15 CO -0.21 0.00 -0.65 -0.44 0.07 0.00 0.00 179.01 177.78 1s5u h ASP 16 N 0.00 0.00 -2.28 3.06 3.32 -1.52 -3.48 116.42 115.52 1s5u h ASP 16 Ca 0.08 -0.21 -0.44 0.00 0.02 0.00 0.00 57.03 56.47 1s5u h ASP 16 Cb 0.39 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.97 1s5u h ASP 16 CO -0.00 0.11 -0.13 0.42 -1.72 0.00 0.00 179.24 177.92 1s5u s THR 17 N -3.17 3.23 0.34 0.35 -4.23 -0.63 -0.73 115.64 110.80 1s5u s THR 17 Ca 0.06 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1s5u s THR 17 Cb 0.13 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1s5u s THR 17 CO 0.73 -0.10 0.13 1.51 -0.54 0.00 0.00 174.62 176.34 1s5u s ASP 18 N -4.33 2.08 0.37 3.99 1.47 -0.43 -4.62 116.67 115.21 1s5u s ASP 18 Ca 0.53 -1.55 0.19 0.00 1.18 0.00 0.00 52.55 52.90 1s5u s ASP 18 Cb -0.10 0.32 1.01 0.00 -0.34 0.00 0.00 42.92 43.81 1s5u s ASP 18 CO 0.36 -0.84 1.51 0.00 0.68 0.00 0.00 175.17 176.89 1s5u h ALA 19 N 2.07 1.15 0.00 2.11 0.00 -1.99 0.51 119.26 123.09 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 0.57 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1s5u n GLY 20 N -1.27 -1.21 1.65 0.00 0.00 -1.26 -4.88 105.19 98.22 1s5u n GLY 20 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.01 0.53 3.29 -0.02 0.00 0.17 -5.04 105.19 105.13 1s5u n GLY 21 Ca 0.11 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 0.23 1.61 -7.23 -1.25 -4.61 120.40 107.42 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 -2.53 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 1s5u s VAL 22 CO 0.00 0.00 1.41 -0.69 -0.31 0.00 0.00 175.10 175.51 1s5u s VAL 23 N -3.76 2.80 0.24 1.32 1.01 -0.40 -1.31 120.40 120.29 1s5u s VAL 23 Ca 0.37 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1s5u s VAL 23 Cb 0.06 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 1s5u s VAL 23 CO 0.16 0.10 1.53 -0.47 0.00 0.00 0.00 175.10 176.42 1s5u s TYR 24 N 0.08 2.95 0.54 5.22 5.04 0.09 -4.82 117.35 126.46 1s5u s TYR 24 Ca 0.59 0.83 0.27 0.00 -2.44 0.00 0.00 57.07 56.31 1s5u s TYR 24 Cb -0.41 -3.93 1.44 0.00 0.35 0.00 0.00 41.96 39.41 1s5u s TYR 24 CO 0.41 -3.18 1.99 1.12 -1.34 0.00 0.00 175.55 174.55 1s5u h HIS 25 N 5.51 0.00 0.00 4.97 2.07 -1.92 0.88 115.15 126.66 1s5u h HIS 25 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 1s5u h HIS 25 Cb 1.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.19 1s5u h HIS 25 CO 0.61 0.00 -0.03 0.00 -3.07 0.00 0.00 177.93 175.44 1s5u h ALA 26 N 1.69 0.98 -0.22 6.11 0.00 -1.96 -3.22 119.26 122.64 1s5u h ALA 26 Ca 0.24 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1s5u h ALA 26 Cb 1.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1s5u h ALA 26 CO -0.00 0.04 -0.15 0.77 0.00 0.00 0.00 179.25 179.91 1s5u h SER 27 N 0.00 0.36 -0.64 0.00 0.02 -1.13 -2.10 113.55 110.06 1s5u h SER 27 Ca -0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1s5u h SER 27 Cb 1.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 1s5u h SER 27 CO 0.00 0.54 0.35 1.88 -1.14 0.00 0.00 176.83 178.46 1s5u h TYR 28 N 0.34 0.89 -0.94 3.45 0.05 -1.60 -1.46 116.97 117.70 1s5u h TYR 28 Ca 0.06 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.85 1s5u h TYR 28 Cb 0.47 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 1s5u h TYR 28 CO 0.01 0.63 0.62 0.28 -1.05 0.00 0.00 178.16 178.65 1s5u h VAL 29 N 0.92 1.20 -0.49 -2.88 2.07 -1.52 0.19 116.25 115.73 1s5u h VAL 29 Ca 0.23 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1s5u h VAL 29 Cb 0.04 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 1s5u h VAL 29 CO -0.04 0.22 -0.01 0.00 0.02 0.00 0.00 177.57 177.77 1s5u h ALA 30 N 1.37 0.66 -0.71 1.67 0.00 -1.26 -2.27 119.26 118.73 1s5u h ALA 30 Ca 0.36 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1s5u h ALA 30 Cb -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1s5u h ALA 30 CO -0.10 0.48 0.44 0.74 0.00 0.00 0.00 179.25 180.81 1s5u h PHE 31 N 0.73 0.82 -0.71 0.00 0.04 -0.44 -1.34 116.94 116.04 1s5u h PHE 31 Ca 0.14 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1s5u h PHE 31 Cb 0.53 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1s5u h PHE 31 CO 0.04 0.46 0.34 1.88 -0.60 0.00 0.00 178.31 180.44 1s5u h TYR 32 N 0.85 1.01 -0.66 -0.55 0.05 -0.78 -2.06 116.97 114.82 1s5u h TYR 32 Ca 0.29 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.97 1s5u h TYR 32 Cb 0.03 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 1s5u h TYR 32 CO -0.04 0.73 0.20 1.49 -1.05 0.00 0.00 178.16 179.49 1s5u h GLU 33 N 1.01 1.03 -0.59 4.88 4.22 -0.72 -1.70 114.58 122.71 1s5u h GLU 33 Ca 0.25 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1s5u h GLU 33 Cb 0.10 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1s5u h GLU 33 CO -0.03 0.90 0.31 0.00 -2.18 0.00 0.00 179.01 178.01 1s5u h ARG 34 N 0.97 0.83 -0.80 1.92 3.08 -0.91 -0.94 114.38 118.53 1s5u h ARG 34 Ca 0.21 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1s5u h ARG 34 Cb 0.30 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1s5u h ARG 34 CO -0.01 0.65 0.35 0.00 -1.07 0.00 0.00 179.97 179.89 1s5u h ALA 35 N 1.14 1.11 -0.47 0.04 0.00 -1.05 0.19 119.26 120.21 1s5u h ALA 35 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1s5u h ALA 35 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1s5u h ALA 35 CO -0.03 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 1s5u h ARG 36 N 1.15 0.91 -0.63 0.00 3.08 -1.04 0.10 114.38 117.95 1s5u h ARG 36 Ca 0.27 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1s5u h ARG 36 Cb 0.16 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1s5u h ARG 36 CO -0.03 1.00 0.35 1.15 -1.07 0.00 0.00 179.97 181.37 1s5u h THR 37 N 0.76 1.20 -0.03 2.04 2.02 -0.62 -1.66 112.91 116.60 1s5u h THR 37 Ca 0.12 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 1s5u h THR 37 Cb 0.67 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1s5u h THR 37 CO 0.05 0.22 -0.58 -0.33 0.37 0.00 0.00 175.52 175.24 1s5u h GLU 38 N 0.86 0.11 -0.40 6.66 4.39 -0.46 -1.20 114.58 124.53 1s5u h GLU 38 Ca 0.22 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.71 1s5u h GLU 38 Cb 0.04 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1s5u h GLU 38 CO -0.04 0.66 -0.32 1.98 -1.16 0.00 0.00 179.01 180.13 1s5u h MET 39 N 0.08 0.92 -0.77 2.33 4.05 -0.68 -0.95 114.93 119.91 1s5u h MET 39 Ca -0.00 -0.46 -0.05 0.00 -0.28 0.00 0.00 59.70 58.91 1s5u h MET 39 Cb 1.05 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.81 1s5u h MET 39 CO 0.08 1.11 0.30 -0.07 0.23 0.00 0.00 176.91 178.56 1s5u h LEU 40 N 0.74 1.07 -1.11 3.39 3.38 -1.16 -2.23 115.31 119.39 1s5u h LEU 40 Ca 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1s5u h LEU 40 Cb 0.90 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1s5u h LEU 40 CO 0.08 0.95 0.13 -0.09 0.09 0.00 0.00 178.44 179.60 1s5u h ARG 41 N 1.12 0.76 -0.12 1.13 2.43 -0.97 0.21 114.38 118.94 1s5u h ARG 41 Ca 0.26 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1s5u h ARG 41 Cb 0.23 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1s5u h ARG 41 CO -0.02 0.68 0.12 1.25 -1.51 0.00 0.00 179.97 180.49 1s5u h HIS 42 N 0.74 0.00 -0.51 2.20 2.76 -0.54 0.22 115.15 120.02 1s5u h HIS 42 Ca 0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1s5u h HIS 42 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1s5u h HIS 42 CO 0.01 0.00 0.00 0.72 -1.30 0.00 0.00 177.93 177.36 1s5u n HIS 43 N -3.97 1.77 -1.14 5.26 8.25 -0.63 -4.91 115.22 119.83 1s5u n HIS 43 Ca -0.00 -0.75 -0.05 0.00 -0.26 0.00 0.00 57.72 56.65 1s5u n HIS 43 Cb 0.23 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 0.39 0.00 -2.68 4.41 -0.00 0.78 -4.93 115.22 113.19 1s5u n HIS 44 Ca 0.26 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.56 1s5u n HIS 44 Cb 1.10 -1.39 0.01 0.00 -0.00 0.00 0.00 29.99 29.71 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 -2.65 2.51 -1.45 4.41 3.72 0.63 -4.77 117.46 119.87 1s5u n PHE 45 Ca -0.05 -2.64 -0.29 0.00 -0.05 0.00 0.00 57.45 54.42 1s5u n PHE 45 Cb 0.27 -1.48 0.13 0.00 -0.94 0.00 0.00 39.48 37.46 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 -0.84 3.53 0.23 4.37 1.04 -1.26 -3.54 113.70 117.23 1s5u s SER 46 Ca 0.36 1.10 -0.07 0.00 0.48 0.00 0.00 55.95 57.83 1s5u s SER 46 Cb 0.09 -1.73 0.29 0.00 0.10 0.00 0.00 66.02 64.77 1s5u s SER 46 CO 0.03 -2.55 1.84 1.56 0.98 0.00 0.00 173.24 175.10 1s5u h GLN 47 N -1.50 0.85 -0.26 4.02 1.08 -1.94 -0.76 115.11 116.61 1s5u h GLN 47 Ca -0.51 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 56.69 1s5u h GLN 47 Cb 1.32 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 28.51 1s5u h GLN 47 CO 0.60 0.56 -0.00 0.37 -0.95 0.00 0.00 178.83 179.41 1s5u h GLN 48 N 0.88 0.07 -0.79 1.46 4.15 -1.97 0.19 115.11 119.10 1s5u h GLN 48 Ca 0.34 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.72 1s5u h GLN 48 Cb 0.16 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 1s5u h GLN 48 CO -0.17 0.05 0.33 0.00 -1.93 0.00 0.00 178.83 177.11 1s5u h ALA 49 N 1.22 1.02 -0.32 3.38 0.00 -1.69 -1.10 119.26 121.77 1s5u h ALA 49 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1s5u h ALA 49 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s5u h ALA 49 CO -0.21 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.64 1s5u h LEU 50 N 1.14 0.52 -1.06 0.00 3.38 -0.61 -2.51 115.31 116.17 1s5u h LEU 50 Ca 0.27 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s5u h LEU 50 Cb 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1s5u h LEU 50 CO -0.02 0.67 0.60 -0.03 0.09 0.00 0.00 178.44 179.74 1s5u h MET 51 N 0.36 1.23 0.00 1.13 4.05 -0.41 -0.12 114.93 121.16 1s5u h MET 51 Ca 0.09 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1s5u h MET 51 Cb 0.38 -0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1s5u h MET 51 CO 0.01 0.83 -0.08 0.00 0.23 0.00 0.00 176.91 177.90 1s5u h ALA 52 N 1.40 1.30 -0.42 0.39 0.00 -0.96 -0.18 119.26 120.80 1s5u h ALA 52 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1s5u h ALA 52 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1s5u h ALA 52 CO -0.07 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1s5u n GLU 53 N -3.62 2.28 -3.50 0.00 1.02 -0.16 -4.94 120.64 111.71 1s5u n GLU 53 Ca -0.02 -1.95 -0.18 0.00 -0.02 0.00 0.00 57.16 54.99 1s5u n GLU 53 Cb 0.19 -1.46 0.07 0.00 -0.02 0.00 0.00 31.44 30.22 1s5u n GLU 53 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s5u n ARG 54 N 1.12 -5.79 -3.87 3.49 1.74 -0.08 -4.99 116.66 108.27 1s5u n ARG 54 Ca 0.19 0.78 -0.12 0.00 -0.77 0.00 0.00 57.85 57.93 1s5u n ARG 54 Cb 0.50 -5.64 -0.13 0.00 -1.02 0.00 0.00 32.46 26.17 1s5u n ARG 54 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s5u s VAL 55 N -3.45 0.03 0.06 1.55 1.01 -0.60 -4.44 120.40 114.55 1s5u s VAL 55 Ca 0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1s5u s VAL 55 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1s5u s VAL 55 CO 0.76 -0.13 0.09 0.00 0.00 0.00 0.00 175.10 175.82 1s5u s ALA 56 N -0.38 0.04 -0.06 5.51 0.00 -0.00 -3.94 121.76 122.92 1s5u s ALA 56 Ca -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1s5u s ALA 56 Cb -0.03 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1s5u s ALA 56 CO 0.00 -0.39 -0.21 -0.06 0.00 0.00 0.00 175.76 175.10 1s5u s PHE 57 N -3.32 2.54 0.01 0.00 0.08 -1.26 -0.69 117.98 115.34 1s5u s PHE 57 Ca 0.01 -0.55 0.07 0.00 0.12 0.00 0.00 56.93 56.58 1s5u s PHE 57 Cb 0.03 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1s5u s PHE 57 CO -0.08 -0.11 -0.22 0.08 -0.10 0.00 0.00 175.22 174.80 1s5u s VAL 58 N -0.26 1.71 -0.01 -0.44 1.01 -0.38 -4.95 120.40 117.08 1s5u s VAL 58 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1s5u s VAL 58 Cb -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1s5u s VAL 58 CO 0.03 0.37 1.08 -0.69 0.00 0.00 0.00 175.10 175.89 1s5u s VAL 59 N -0.63 4.54 -0.23 2.92 1.01 -1.26 -0.36 120.40 126.39 1s5u s VAL 59 Ca 0.08 1.82 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1s5u s VAL 59 Cb -0.09 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.93 1s5u s VAL 59 CO 0.00 0.10 -0.10 -1.14 0.00 0.00 0.00 175.10 173.96 1s5u n ARG 60 N 4.26 0.71 -3.68 2.72 0.63 0.75 -4.90 116.66 117.15 1s5u n ARG 60 Ca 0.08 0.08 -0.14 0.00 -0.92 0.00 0.00 57.85 56.95 1s5u n ARG 60 Cb 0.49 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.81 1s5u n ARG 60 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1s5u s LYS 61 N -2.49 0.66 -0.11 -0.14 2.20 -1.01 -5.01 119.74 113.84 1s5u s LYS 61 Ca -0.24 0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 55.97 1s5u s LYS 61 Cb 0.07 0.32 0.05 0.00 -1.51 0.00 0.00 37.83 36.76 1s5u s LYS 61 CO 0.67 -0.10 0.27 1.41 -0.36 0.00 0.00 175.35 177.23 1s5u s MET 62 N 0.07 0.22 -0.14 4.03 1.75 -1.26 -0.34 119.30 123.63 1s5u s MET 62 Ca -0.02 0.57 0.03 0.00 -1.25 0.00 0.00 55.69 55.02 1s5u s MET 62 Cb -0.04 -0.10 0.01 0.00 2.84 0.00 0.00 34.83 37.54 1s5u s MET 62 CO 0.02 -0.17 -0.22 0.99 -0.65 0.00 0.00 175.02 174.99 1s5u s THR 63 N 1.35 2.06 -0.06 10.11 2.01 -0.55 -4.99 115.64 125.57 1s5u s THR 63 Ca -0.09 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 60.99 1s5u s THR 63 Cb -0.10 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1s5u s THR 63 CO -0.09 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.47 1s5u s VAL 64 N 0.80 1.92 -0.20 3.82 1.01 -1.26 -1.35 120.40 125.15 1s5u s VAL 64 Ca -0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1s5u s VAL 64 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1s5u s VAL 64 CO -0.02 0.54 -0.05 -1.61 0.00 0.00 0.00 175.10 173.96 1s5u s GLU 65 N -0.01 3.45 -0.38 2.72 2.02 0.36 -4.98 118.70 121.87 1s5u s GLU 65 Ca -0.07 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.18 1s5u s GLU 65 Cb -0.14 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.15 1s5u s GLU 65 CO 0.04 -0.06 0.26 0.71 0.02 0.00 0.00 175.26 176.24 1s5u s TYR 66 N 1.12 3.24 -0.26 1.61 2.02 -1.26 -1.40 117.35 122.41 1s5u s TYR 66 Ca 0.02 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 55.99 1s5u s TYR 66 Cb -0.15 -2.52 -0.11 0.00 -0.40 0.00 0.00 41.96 38.78 1s5u s TYR 66 CO -0.00 -0.55 -0.33 0.66 -1.57 0.00 0.00 175.55 173.75 1s5u n TYR 67 N 5.10 0.00 -3.92 2.71 4.01 0.05 -5.01 117.16 120.10 1s5u n TYR 67 Ca -0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.52 1s5u n TYR 67 Cb 0.47 -0.92 -0.10 0.00 -0.31 0.00 0.00 39.34 38.48 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 -2.47 -0.12 0.42 -0.72 0.00 -0.61 -5.00 121.76 113.26 1s5u s ALA 68 Ca -0.36 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 1s5u s ALA 68 Cb 0.14 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.28 1s5u s ALA 68 CO 0.45 -0.18 0.90 -1.25 0.00 0.00 0.00 175.76 175.68 1s5u s PRO 69 N -1.39 4.11 0.02 0.00 0.04 -1.26 -4.46 135.00 132.06 1s5u s PRO 69 Ca -0.15 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1s5u s PRO 69 Cb -0.09 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1s5u s PRO 69 CO 0.00 -0.03 0.17 0.00 0.04 0.00 0.00 177.00 177.19 1s5u s ALA 70 N -2.22 3.91 0.38 8.56 0.00 -1.26 -4.99 121.76 126.14 1s5u s ALA 70 Ca 0.59 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.80 1s5u s ALA 70 Cb -0.09 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 1s5u s ALA 70 CO 0.18 0.77 0.01 1.03 0.00 0.00 0.00 175.76 177.75 1s5u s ARG 71 N -2.11 1.86 0.04 0.00 0.52 -1.26 -1.28 118.95 116.71 1s5u s ARG 71 Ca 0.29 -2.04 -0.37 0.00 -0.52 0.00 0.00 55.73 53.10 1s5u s ARG 71 Cb -0.13 -1.43 -0.16 0.00 0.52 0.00 0.00 34.95 33.76 1s5u s ARG 71 CO 0.21 -0.07 1.46 -0.11 0.02 0.00 0.00 175.30 176.81 1s5u n LEU 72 N -0.87 2.05 0.00 2.53 7.94 -1.26 -1.55 117.00 125.84 1s5u n LEU 72 Ca -0.04 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1s5u n LEU 72 Cb 0.67 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1s5u n LEU 72 CO 0.47 -0.80 0.00 -0.67 -1.11 0.00 0.00 177.39 175.28 1s5u n ASP 73 N 3.25 -3.79 -4.77 1.96 2.03 -0.01 -5.00 116.55 110.21 1s5u n ASP 73 Ca 0.20 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.12 1s5u n ASP 73 Cb 0.20 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.12 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 -2.03 6.75 -0.33 1.67 1.01 -0.60 -4.70 116.67 118.44 1s5u s ASP 74 Ca 0.00 2.32 -0.13 0.00 0.71 0.00 0.00 52.55 55.45 1s5u s ASP 74 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1s5u s ASP 74 CO 0.00 -0.51 0.24 -0.32 0.21 0.00 0.00 175.17 174.78 1s5u s MET 75 N -2.08 3.60 0.36 8.23 -2.45 -1.26 -1.56 119.30 124.13 1s5u s MET 75 Ca 0.53 -0.56 0.07 0.00 -1.25 0.00 0.00 55.69 54.49 1s5u s MET 75 Cb -0.31 -3.77 -0.02 0.00 1.25 0.00 0.00 34.83 31.98 1s5u s MET 75 CO 0.39 -0.39 0.36 -0.51 1.05 0.00 0.00 175.02 175.92 1s5u s LEU 76 N 1.75 3.62 -0.10 4.11 1.43 0.85 -3.20 118.68 127.14 1s5u s LEU 76 Ca 0.07 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1s5u s LEU 76 Cb -0.17 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.77 1s5u s LEU 76 CO 0.11 -0.46 -0.07 -0.70 0.23 0.00 0.00 176.35 175.46 1s5u s GLU 77 N -4.08 1.42 -0.15 1.70 2.12 -0.60 -1.03 118.70 118.09 1s5u s GLU 77 Ca 0.44 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.41 1s5u s GLU 77 Cb -0.06 -1.47 -0.05 0.00 0.26 0.00 0.00 34.13 32.81 1s5u s GLU 77 CO 0.28 -0.23 0.27 0.42 -0.54 0.00 0.00 175.26 175.46 1s5u s ILE 78 N 1.59 5.31 -0.13 -3.70 -1.09 0.61 -2.01 121.20 121.78 1s5u s ILE 78 Ca 0.02 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1s5u s ILE 78 Cb -0.13 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1s5u s ILE 78 CO -0.06 0.43 -0.15 -1.10 -1.23 0.00 0.00 174.94 172.83 1s5u s GLN 79 N 0.19 3.34 0.03 2.79 -0.21 0.41 -0.38 119.66 125.83 1s5u s GLN 79 Ca 0.16 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.87 1s5u s GLN 79 Cb -0.13 -2.59 -0.02 0.00 1.00 0.00 0.00 33.01 31.28 1s5u s GLN 79 CO 0.04 0.21 -0.13 0.99 -2.12 0.00 0.00 175.29 174.28 1s5u s THR 80 N 0.35 1.02 -0.02 -0.19 2.01 0.03 -1.55 115.64 117.29 1s5u s THR 80 Ca -0.12 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1s5u s THR 80 Cb -0.16 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1s5u s THR 80 CO 0.06 0.03 0.25 -1.61 -0.69 0.00 0.00 174.62 172.66 1s5u s GLU 81 N -0.99 0.55 -0.31 4.92 2.02 -0.58 -0.95 118.70 123.36 1s5u s GLU 81 Ca 0.01 -0.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.72 1s5u s GLU 81 Cb -0.07 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 1s5u s GLU 81 CO 0.01 -0.14 0.22 0.42 0.02 0.00 0.00 175.26 175.79 1s5u s ILE 82 N -1.11 5.30 -1.81 -1.63 1.01 -1.26 -0.74 121.20 120.96 1s5u s ILE 82 Ca -0.12 -0.01 0.16 0.00 0.00 0.00 0.00 60.65 60.68 1s5u s ILE 82 Cb -0.05 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.88 1s5u s ILE 82 CO 0.03 0.12 0.95 0.35 0.00 0.00 0.00 174.94 176.39 1s5u n THR 83 N 5.08 0.00 -3.61 2.92 -2.24 -0.15 -4.91 114.28 111.38 1s5u n THR 83 Ca -0.13 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1s5u n THR 83 Cb 0.51 1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.47 -0.53 -0.22 3.42 0.15 -1.22 -4.97 113.70 108.87 1s5u s SER 84 Ca 0.17 0.90 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 1s5u s SER 84 Cb 0.13 0.87 0.10 0.00 -1.71 0.00 0.00 66.02 65.41 1s5u s SER 84 CO 0.25 -0.26 0.24 -0.32 1.20 0.00 0.00 173.24 174.35 1s5u s MET 85 N -0.14 0.21 -0.10 5.44 1.75 -1.26 -0.85 119.30 124.36 1s5u s MET 85 Ca -0.00 0.17 -0.04 0.00 -1.25 0.00 0.00 55.69 54.57 1s5u s MET 85 Cb -0.04 -1.12 0.05 0.00 2.84 0.00 0.00 34.83 36.57 1s5u s MET 85 CO -0.01 -0.70 0.21 1.03 -0.65 0.00 0.00 175.02 174.89 1s5u s ARG 86 N 2.34 0.12 3.50 4.11 0.52 -0.33 -5.02 118.95 124.19 1s5u s ARG 86 Ca 0.08 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 1s5u s ARG 86 Cb -0.16 -0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.16 1s5u s ARG 86 CO -0.15 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.34 1s5u n GLY 87 N 4.86 0.47 0.16 -3.53 0.00 -1.26 -0.53 105.19 105.36 1s5u n GLY 87 Ca -0.14 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.49 1s5u n GLY 87 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1s5u n THR 88 N 0.00 0.00 -4.04 2.61 5.66 -1.26 -2.20 114.28 115.05 1s5u n THR 88 Ca 0.00 -0.48 -0.32 0.00 -3.05 0.00 0.00 64.05 60.20 1s5u n THR 88 Cb 0.00 1.09 -0.06 0.00 -1.55 0.00 0.00 70.33 69.80 1s5u n THR 88 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1s5u s SER 89 N -0.58 5.77 -0.02 1.09 0.01 0.31 -0.52 113.70 119.76 1s5u s SER 89 Ca 0.05 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1s5u s SER 89 Cb 0.04 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1s5u s SER 89 CO 0.08 0.22 -0.09 -0.76 0.41 0.00 0.00 173.24 173.10 1s5u s LEU 90 N -2.12 1.80 -0.21 2.44 1.43 0.65 -1.19 118.68 121.47 1s5u s LEU 90 Ca 0.28 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1s5u s LEU 90 Cb -0.12 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1s5u s LEU 90 CO 0.20 0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 176.05 1s5u s VAL 91 N 0.18 2.89 -0.12 -1.59 1.01 -0.03 -0.23 120.40 122.51 1s5u s VAL 91 Ca -0.03 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1s5u s VAL 91 Cb -0.08 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1s5u s VAL 91 CO 0.00 0.45 0.01 -0.36 0.00 0.00 0.00 175.10 175.21 1s5u s PHE 92 N 1.41 3.18 -0.17 5.22 0.08 0.14 -0.97 117.98 126.86 1s5u s PHE 92 Ca 0.05 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 1s5u s PHE 92 Cb -0.14 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1s5u s PHE 92 CO -0.07 0.31 -0.13 0.99 -0.10 0.00 0.00 175.22 176.23 1s5u s THR 93 N -0.36 2.84 0.09 0.64 2.01 0.08 0.03 115.64 120.98 1s5u s THR 93 Ca 0.07 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1s5u s THR 93 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1s5u s THR 93 CO 0.02 0.50 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.26 1s5u s GLN 94 N 0.98 0.81 0.04 4.92 -0.21 0.33 -1.53 119.66 125.01 1s5u s GLN 94 Ca -0.02 -1.18 -0.15 0.00 0.02 0.00 0.00 55.36 54.04 1s5u s GLN 94 Cb -0.15 -0.40 0.02 0.00 1.00 0.00 0.00 33.01 33.48 1s5u s GLN 94 CO -0.02 0.04 0.33 -0.98 -2.12 0.00 0.00 175.29 172.54 1s5u s ARG 95 N -3.02 0.82 -0.09 2.91 1.70 -0.59 0.08 118.95 120.76 1s5u s ARG 95 Ca 0.06 -0.45 0.03 0.00 -0.47 0.00 0.00 55.73 54.90 1s5u s ARG 95 Cb -0.01 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1s5u s ARG 95 CO -0.01 -0.27 -0.17 0.42 -1.08 0.00 0.00 175.30 174.19 1s5u s ILE 96 N -2.45 1.55 0.17 4.99 1.01 -0.02 -0.45 121.20 125.99 1s5u s ILE 96 Ca -0.06 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1s5u s ILE 96 Cb -0.01 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1s5u s ILE 96 CO -0.03 0.45 -0.16 0.68 0.00 0.00 0.00 174.94 175.88 1s5u s VAL 97 N 0.59 1.66 0.20 2.92 -7.23 -0.85 -1.09 120.40 116.59 1s5u s VAL 97 Ca -0.15 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1s5u s VAL 97 Cb -0.16 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 34.97 1s5u s VAL 97 CO 0.05 -0.45 0.27 -0.46 -0.31 0.00 0.00 175.10 174.20 1s5u n ASN 98 N 0.09 0.43 -0.28 4.85 0.23 -0.77 -1.56 115.26 118.25 1s5u n ASN 98 Ca -0.12 -1.35 -0.02 0.00 -0.53 0.00 0.00 54.58 52.56 1s5u n ASN 98 Cb 0.58 -0.17 0.15 0.00 -2.08 0.00 0.00 39.78 38.27 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 -0.29 1.27 0.00 -2.53 0.00 -1.90 -0.08 119.26 115.73 1s5u h ALA 99 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s5u h ALA 99 Cb 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s5u h ALA 99 CO 0.10 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.34 1s5u n GLU 100 N -4.35 0.87 -1.10 0.00 1.02 -1.26 -4.84 120.64 110.97 1s5u n GLU 100 Ca 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1s5u n GLU 100 Cb 0.09 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.65 -4.35 -4.76 1.62 5.15 -0.04 -4.99 115.26 107.23 1s5u n ASN 101 Ca 0.06 0.09 -0.41 0.00 -0.60 0.00 0.00 54.58 53.73 1s5u n ASN 101 Cb 0.03 -2.17 -0.03 0.00 -0.53 0.00 0.00 39.78 37.08 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 -1.83 3.20 -0.08 -0.44 2.01 -1.26 -4.69 115.64 112.55 1s5u s THR 102 Ca 0.00 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1s5u s THR 102 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1s5u s THR 102 CO 0.00 0.25 1.22 -0.22 -0.69 0.00 0.00 174.62 175.18 1s5u s LEU 103 N -1.28 4.26 -0.16 4.42 2.96 -1.26 -1.84 118.68 125.78 1s5u s LEU 103 Ca 0.48 1.79 0.02 0.00 -0.22 0.00 0.00 54.13 56.21 1s5u s LEU 103 Cb -0.35 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.67 1s5u s LEU 103 CO 0.44 -0.63 -0.12 0.18 -1.32 0.00 0.00 176.35 174.91 1s5u n LEU 104 N 5.53 2.63 -3.59 -0.68 4.77 -0.25 -3.85 117.00 121.54 1s5u n LEU 104 Ca 0.12 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1s5u n LEU 104 Cb 0.46 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1s5u n LEU 104 CO 0.55 0.72 0.23 0.21 -1.33 0.00 0.00 177.39 177.77 1s5u s ASN 105 N -5.44 -0.36 -0.04 -1.43 3.84 -1.13 -0.77 114.94 109.62 1s5u s ASN 105 Ca -0.20 -0.05 -0.08 0.00 0.21 0.00 0.00 52.86 52.74 1s5u s ASN 105 Cb 0.05 0.49 0.01 0.00 -0.55 0.00 0.00 41.25 41.25 1s5u s ASN 105 CO 0.39 -0.79 0.20 -0.70 -2.79 0.00 0.00 177.10 173.41 1s5u s GLU 106 N -3.09 0.41 -0.01 0.43 2.12 -0.49 -0.84 118.70 117.22 1s5u s GLU 106 Ca -0.02 -0.06 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 1s5u s GLU 106 Cb 0.00 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1s5u s GLU 106 CO -0.07 -0.09 0.22 0.00 -0.54 0.00 0.00 175.26 174.78 1s5u s ALA 107 N -0.72 -0.54 -0.14 6.30 0.00 0.11 -0.49 121.76 126.29 1s5u s ALA 107 Ca -0.08 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1s5u s ALA 107 Cb -0.05 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1s5u s ALA 107 CO 0.01 -0.22 -0.21 -2.00 0.00 0.00 0.00 175.76 173.34 1s5u s GLU 108 N -1.21 3.04 -0.12 0.00 2.12 -0.46 -0.51 118.70 121.57 1s5u s GLU 108 Ca -0.13 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.36 1s5u s GLU 108 Cb -0.06 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.90 1s5u s GLU 108 CO 0.03 -0.00 -0.11 0.08 -0.54 0.00 0.00 175.26 174.71 1s5u s VAL 109 N 0.79 1.29 -0.28 3.70 1.01 0.10 -1.48 120.40 125.53 1s5u s VAL 109 Ca -0.07 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1s5u s VAL 109 Cb -0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1s5u s VAL 109 CO -0.01 0.41 0.19 -0.22 0.00 0.00 0.00 175.10 175.46 1s5u s LEU 110 N 1.47 4.01 0.07 3.92 1.98 0.54 0.26 118.68 130.93 1s5u s LEU 110 Ca 0.02 -0.01 0.09 0.00 -2.89 0.00 0.00 54.13 51.34 1s5u s LEU 110 Cb -0.13 -2.11 -0.03 0.00 0.66 0.00 0.00 46.19 44.57 1s5u s LEU 110 CO -0.08 -0.05 -0.25 0.68 -1.89 0.00 0.00 176.35 174.77 1s5u s VAL 111 N 1.74 2.03 0.20 1.68 -7.23 0.67 -0.18 120.40 119.31 1s5u s VAL 111 Ca 0.07 -1.45 0.09 0.00 -1.81 0.00 0.00 61.98 58.88 1s5u s VAL 111 Cb -0.16 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1s5u s VAL 111 CO 0.11 0.23 -0.06 0.68 -0.31 0.00 0.00 175.10 175.75 1s5u s VAL 112 N -0.89 3.35 -0.10 1.32 -7.23 0.51 -0.25 120.40 117.11 1s5u s VAL 112 Ca 0.11 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 1s5u s VAL 112 Cb -0.10 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 1s5u s VAL 112 CO 0.03 -0.16 0.37 0.00 -0.31 0.00 0.00 175.10 175.03 1s5u s VAL 114 N -0.08 0.35 -0.05 0.00 -7.23 0.13 0.69 120.40 114.22 1s5u s VAL 114 Ca 0.21 -1.92 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 1s5u s VAL 114 Cb -0.15 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1s5u s VAL 114 CO 0.09 -0.55 0.62 1.51 -0.31 0.00 0.00 175.10 176.45 1s5u s ASP 115 N -3.08 6.93 0.01 4.85 -4.77 -1.11 -0.82 116.67 118.69 1s5u s ASP 115 Ca 0.21 1.11 0.00 0.00 -3.30 0.00 0.00 52.55 50.58 1s5u s ASP 115 Cb 0.07 -2.37 0.02 0.00 -1.09 0.00 0.00 42.92 39.55 1s5u s ASP 115 CO 0.01 -0.01 0.70 -2.65 0.70 0.00 0.00 175.17 173.92 1s5u n PRO 116 N 3.34 0.00 0.00 2.11 -0.02 -1.26 -1.97 135.00 137.20 1s5u n PRO 116 Ca -0.05 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1s5u n PRO 116 Cb 0.51 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1s5u n PRO 116 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s5u n LEU 117 N -1.22 0.27 0.00 2.45 4.77 -1.26 -4.65 117.00 117.36 1s5u n LEU 117 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1s5u n LEU 117 Cb 0.32 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1s5u n LEU 117 CO 0.00 0.00 0.56 0.29 -1.33 0.00 0.00 177.39 176.91 1s5u n LYS 118 N -1.40 0.01 -1.79 3.23 5.02 -1.22 -4.82 118.16 117.19 1s5u n LYS 118 Ca 0.00 0.40 -0.16 0.00 -2.02 0.00 0.00 58.31 56.52 1s5u n LYS 118 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1s5u n LYS 118 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1s5u n MET 119 N -1.47 -1.56 -3.98 1.97 2.81 -0.83 -4.95 117.12 109.12 1s5u n MET 119 Ca 0.01 0.90 -0.30 0.00 -1.81 0.00 0.00 57.70 56.50 1s5u n MET 119 Cb 0.05 -5.31 -0.05 0.00 -0.71 0.00 0.00 33.22 27.20 1s5u n MET 119 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1s5u s LYS 120 N -3.93 3.20 0.79 0.03 -2.85 -1.26 -4.88 119.74 110.84 1s5u s LYS 120 Ca 0.00 -0.56 -0.14 0.00 -1.00 0.00 0.00 55.97 54.27 1s5u s LYS 120 Cb 0.00 -2.90 0.04 0.00 -2.06 0.00 0.00 37.83 32.91 1s5u s LYS 120 CO 0.00 0.58 0.97 -2.30 0.10 0.00 0.00 175.35 174.70 1s5u n PRO 121 N 0.30 0.25 -3.80 1.78 -0.02 -1.26 -2.73 135.00 129.52 1s5u n PRO 121 Ca -0.07 0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1s5u n PRO 121 Cb 0.51 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 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 -3.66 1.31 0.53 -0.52 1.70 0.22 -4.79 118.95 113.74 1s5u s ARG 122 Ca 0.71 -0.95 -0.21 0.00 -0.47 0.00 0.00 55.73 54.81 1s5u s ARG 122 Cb -0.31 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 1s5u s ARG 122 CO 0.53 -0.53 1.24 0.00 -1.08 0.00 0.00 175.30 175.45 1s5u s ALA 123 N -3.90 2.78 0.21 7.88 0.00 -1.26 -4.41 121.76 123.06 1s5u s ALA 123 Ca 0.11 1.08 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 1s5u s ALA 123 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1s5u s ALA 123 CO -0.02 -1.04 1.49 -0.51 0.00 0.00 0.00 175.76 175.68 1s5u s LEU 124 N -3.53 4.38 0.49 0.00 1.43 -0.93 -4.94 118.68 115.58 1s5u s LEU 124 Ca 0.71 2.64 -0.23 0.00 -1.03 0.00 0.00 54.13 56.22 1s5u s LEU 124 Cb -0.33 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 1s5u s LEU 124 CO 0.38 -0.75 1.17 -2.65 0.23 0.00 0.00 176.35 174.72 1s5u n PRO 125 N 3.05 1.51 -0.18 1.29 -0.02 -1.26 -4.85 135.00 134.53 1s5u n PRO 125 Ca 0.10 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 1s5u n PRO 125 Cb 0.40 -2.31 0.49 0.00 -0.02 0.00 0.00 33.50 32.06 1s5u n PRO 125 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s5u h LYS 126 N 1.44 0.44 -0.76 -0.52 1.57 -2.00 -2.01 116.57 114.73 1s5u h LYS 126 Ca -0.48 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1s5u h LYS 126 Cb 1.32 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1s5u h LYS 126 CO 0.56 0.29 0.30 0.66 -0.57 0.00 0.00 179.45 180.69 1s5u h SER 127 N 0.45 1.05 0.05 0.86 4.64 -1.99 -2.12 113.55 116.49 1s5u h SER 127 Ca 0.39 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1s5u h SER 127 Cb 0.85 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1s5u h SER 127 CO -0.13 0.93 -0.02 0.40 -0.87 0.00 0.00 176.83 177.13 1s5u h ILE 128 N 1.11 1.19 -0.66 0.95 2.04 -1.72 -0.60 117.51 119.82 1s5u h ILE 128 Ca 0.25 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1s5u h ILE 128 Cb 0.21 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1s5u h ILE 128 CO -0.02 0.20 0.42 0.58 0.00 0.00 0.00 178.15 179.33 1s5u h VAL 129 N -0.43 1.18 -0.93 1.67 2.07 -1.56 -1.45 116.25 116.80 1s5u h VAL 129 Ca -0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1s5u h VAL 129 Cb 0.38 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1s5u h VAL 129 CO 0.01 0.18 0.59 0.00 0.02 0.00 0.00 177.57 178.37 1s5u h ALA 130 N 1.22 1.29 -0.19 1.67 0.00 -1.34 0.16 119.26 122.07 1s5u h ALA 130 Ca 0.24 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1s5u h ALA 130 Cb -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.35 1s5u h ALA 130 CO -0.05 0.64 -0.65 1.49 0.00 0.00 0.00 179.25 180.68 1s5u h GLU 131 N 1.27 0.71 0.00 0.00 4.57 -0.56 -3.36 114.58 117.21 1s5u h GLU 131 Ca 0.34 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1s5u h GLU 131 Cb -0.10 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1s5u h GLU 131 CO -0.07 1.13 -1.84 1.19 -1.18 0.00 0.00 179.01 178.24 1s5u n PHE 132 N -3.95 0.00 0.00 0.92 3.01 -0.60 -5.10 117.46 111.75 1s5u n PHE 132 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1s5u n PHE 132 Cb 0.67 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1s5u n PHE 132 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13