#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5u s PHE 6 N 0.00 3.19 -0.09 1.96 5.36 0.07 -4.95 117.98 123.53 1s5u s PHE 6 Ca 0.00 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1s5u s PHE 6 Cb 0.00 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 1s5u s PHE 6 CO 0.00 0.27 -0.08 1.03 -1.46 0.00 0.00 175.22 174.98 1s5u s ARG 7 N -0.20 3.01 -0.08 10.12 0.52 -1.26 -0.85 118.95 130.21 1s5u s ARG 7 Ca 0.06 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1s5u s ARG 7 Cb -0.12 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.74 1s5u s ARG 7 CO 0.02 0.50 -0.03 -0.46 0.02 0.00 0.00 175.30 175.34 1s5u s TRP 8 N -0.37 0.96 0.35 -0.53 -0.11 0.18 -4.96 118.94 114.46 1s5u s TRP 8 Ca 0.05 -0.36 -0.21 0.00 1.22 0.00 0.00 56.10 56.80 1s5u s TRP 8 Cb -0.12 -0.92 -0.10 0.00 -1.50 0.00 0.00 33.47 30.83 1s5u s TRP 8 CO 0.02 -0.36 0.86 -1.25 -4.62 0.00 0.00 176.95 171.61 1s5u s PRO 9 N 1.67 4.27 -0.10 5.86 0.04 -1.26 0.36 135.00 145.84 1s5u s PRO 9 Ca 0.02 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 1s5u s PRO 9 Cb -0.13 -2.50 0.05 0.00 0.04 0.00 0.00 34.50 31.96 1s5u s PRO 9 CO -0.05 0.16 0.22 0.08 0.04 0.00 0.00 177.00 177.45 1s5u s VAL 10 N -1.89 -0.21 -0.01 -0.36 1.01 -0.45 -4.92 120.40 113.57 1s5u s VAL 10 Ca 0.54 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 1s5u s VAL 10 Cb -0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.83 1s5u s VAL 10 CO 0.18 0.10 0.43 -0.60 0.00 0.00 0.00 175.10 175.21 1s5u s ARG 11 N 1.83 4.00 -0.19 2.72 6.06 -1.26 -0.22 118.95 131.90 1s5u s ARG 11 Ca -0.03 0.44 -0.21 0.00 -2.50 0.00 0.00 55.73 53.43 1s5u s ARG 11 Cb -0.11 -3.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.62 1s5u s ARG 11 CO -0.08 0.62 0.62 0.08 -2.50 0.00 0.00 175.30 174.04 1s5u s VAL 12 N -0.86 5.04 0.43 7.11 1.01 -0.60 -4.99 120.40 127.53 1s5u s VAL 12 Ca 0.24 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.46 1s5u s VAL 12 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1s5u s VAL 12 CO 0.13 0.13 0.22 -0.31 0.00 0.00 0.00 175.10 175.28 1s5u s TYR 13 N 1.79 2.49 0.32 5.22 2.02 -1.26 -1.07 117.35 126.85 1s5u s TYR 13 Ca 0.29 -0.62 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1s5u s TYR 13 Cb -0.16 -1.97 0.73 0.00 -0.40 0.00 0.00 41.96 40.16 1s5u s TYR 13 CO 0.11 0.08 1.82 1.88 -1.57 0.00 0.00 175.55 177.86 1s5u h TYR 14 N 1.30 1.00 -0.07 2.71 -1.99 -1.97 -0.21 116.97 117.73 1s5u h TYR 14 Ca -0.42 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.36 1s5u h TYR 14 Cb 1.26 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 39.68 1s5u h TYR 14 CO 0.69 0.30 0.10 1.05 -0.00 0.00 0.00 178.16 180.30 1s5u h GLU 15 N 0.79 0.00 0.00 4.88 4.11 -2.01 -1.84 114.58 120.50 1s5u h GLU 15 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 1s5u h GLU 15 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1s5u h GLU 15 CO -0.30 0.00 -0.80 -0.44 0.07 0.00 0.00 179.01 177.54 1s5u h ASP 16 N 0.00 0.00 -2.35 3.06 3.32 -1.42 -3.48 116.42 115.55 1s5u h ASP 16 Ca 0.04 -0.17 -0.44 0.00 0.02 0.00 0.00 57.03 56.47 1s5u h ASP 16 Cb 0.23 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.81 1s5u h ASP 16 CO -0.00 0.09 -0.13 0.42 -1.72 0.00 0.00 179.24 177.90 1s5u s THR 17 N -3.23 3.36 0.39 0.35 -4.23 -0.69 -0.96 115.64 110.62 1s5u s THR 17 Ca 0.04 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1s5u s THR 17 Cb 0.12 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 1s5u s THR 17 CO 0.75 -0.14 0.13 1.51 -0.54 0.00 0.00 174.62 176.34 1s5u s ASP 18 N -4.31 2.58 0.41 3.99 1.47 -0.51 -4.65 116.67 115.65 1s5u s ASP 18 Ca 0.52 -1.64 0.22 0.00 1.18 0.00 0.00 52.55 52.84 1s5u s ASP 18 Cb -0.10 0.44 1.20 0.00 -0.34 0.00 0.00 42.92 44.11 1s5u s ASP 18 CO 0.36 -0.90 1.64 0.00 0.68 0.00 0.00 175.17 176.95 1s5u h ALA 19 N 1.88 1.12 0.00 2.11 0.00 -1.99 0.48 119.26 122.85 1s5u h ALA 19 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1s5u h ALA 19 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1s5u h ALA 19 CO 0.57 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1s5u n GLY 20 N -1.26 -1.14 1.79 0.00 0.00 -1.26 -4.88 105.19 98.45 1s5u n GLY 20 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.75 0.49 3.37 -0.02 0.00 0.16 -5.04 105.19 104.90 1s5u n GLY 21 Ca 0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 0.39 0.20 1.61 -7.23 -1.25 -4.61 120.40 107.51 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 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1s5u s VAL 22 CO 0.00 0.00 1.28 -0.69 -0.31 0.00 0.00 175.10 175.38 1s5u s VAL 23 N -3.51 3.27 0.23 1.32 1.01 -0.44 -1.43 120.40 120.85 1s5u s VAL 23 Ca 0.34 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 1s5u s VAL 23 Cb 0.05 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 1s5u s VAL 23 CO 0.18 0.17 1.39 -0.47 0.00 0.00 0.00 175.10 176.37 1s5u s TYR 24 N -0.02 3.10 0.53 5.22 5.04 -0.14 -4.83 117.35 126.26 1s5u s TYR 24 Ca 0.55 1.11 0.22 0.00 -2.44 0.00 0.00 57.07 56.51 1s5u s TYR 24 Cb -0.36 -3.74 1.36 0.00 0.35 0.00 0.00 41.96 39.58 1s5u s TYR 24 CO 0.39 -2.37 2.05 1.12 -1.34 0.00 0.00 175.55 175.40 1s5u h HIS 25 N 5.10 0.00 0.00 4.97 2.07 -1.93 0.36 115.15 125.72 1s5u h HIS 25 Ca -0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.01 1s5u h HIS 25 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 1s5u h HIS 25 CO 0.61 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 175.19 1s5u h ALA 26 N 1.83 0.98 -0.51 6.11 0.00 -1.96 -3.00 119.26 122.71 1s5u h ALA 26 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1s5u h ALA 26 Cb 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1s5u h ALA 26 CO -0.00 0.35 0.12 0.77 0.00 0.00 0.00 179.25 180.49 1s5u h SER 27 N 0.00 0.73 -0.66 0.00 0.02 -1.23 -2.21 113.55 110.19 1s5u h SER 27 Ca -0.00 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1s5u h SER 27 Cb 0.84 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1s5u h SER 27 CO 0.04 0.72 0.30 1.88 -1.14 0.00 0.00 176.83 178.62 1s5u h TYR 28 N 0.76 1.00 -0.79 3.45 0.05 -1.57 -1.14 116.97 118.72 1s5u h TYR 28 Ca 0.17 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.93 1s5u h TYR 28 Cb 0.28 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 1s5u h TYR 28 CO 0.02 0.74 0.50 0.28 -1.05 0.00 0.00 178.16 178.65 1s5u h VAL 29 N 0.98 1.10 -0.64 -2.88 2.07 -1.48 -0.37 116.25 115.04 1s5u h VAL 29 Ca 0.24 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1s5u h VAL 29 Cb 0.14 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1s5u h VAL 29 CO -0.03 0.18 0.10 0.00 0.02 0.00 0.00 177.57 177.84 1s5u h ALA 30 N 1.34 0.85 -0.84 1.67 0.00 -1.09 -2.60 119.26 118.60 1s5u h ALA 30 Ca 0.32 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1s5u h ALA 30 Cb 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1s5u h ALA 30 CO -0.12 0.62 0.55 0.74 0.00 0.00 0.00 179.25 181.03 1s5u h PHE 31 N 0.98 1.03 -0.76 0.00 0.04 -0.15 -1.54 116.94 116.54 1s5u h PHE 31 Ca 0.19 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1s5u h PHE 31 Cb 0.44 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 1s5u h PHE 31 CO 0.03 0.61 0.36 1.88 -0.60 0.00 0.00 178.31 180.60 1s5u h TYR 32 N 1.08 1.08 -0.51 -0.55 0.05 -0.88 -1.91 116.97 115.35 1s5u h TYR 32 Ca 0.32 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 1s5u h TYR 32 Cb -0.05 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.33 1s5u h TYR 32 CO -0.02 0.79 0.11 1.49 -1.05 0.00 0.00 178.16 179.48 1s5u h GLU 33 N 1.08 0.82 -0.70 4.88 4.22 -0.99 -1.63 114.58 122.25 1s5u h GLU 33 Ca 0.26 -0.20 0.02 0.00 0.08 0.00 0.00 59.36 59.52 1s5u h GLU 33 Cb 0.11 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1s5u h GLU 33 CO -0.03 0.80 0.44 0.00 -2.18 0.00 0.00 179.01 178.04 1s5u h ARG 34 N 0.71 0.85 -0.65 1.92 3.08 -0.89 -1.05 114.38 118.35 1s5u h ARG 34 Ca 0.16 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1s5u h ARG 34 Cb 0.35 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1s5u h ARG 34 CO 0.00 0.56 0.43 0.00 -1.07 0.00 0.00 179.97 179.90 1s5u h ALA 35 N 1.29 0.83 -0.58 0.04 0.00 -1.00 0.09 119.26 119.92 1s5u h ALA 35 Ca 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1s5u h ALA 35 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1s5u h ALA 35 CO -0.09 0.26 0.19 0.00 0.00 0.00 0.00 179.25 179.61 1s5u h ARG 36 N 0.89 0.90 -0.59 0.00 3.08 -0.85 -0.09 114.38 117.71 1s5u h ARG 36 Ca 0.24 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1s5u h ARG 36 Cb -0.09 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 1s5u h ARG 36 CO -0.05 0.80 0.38 1.15 -1.07 0.00 0.00 179.97 181.18 1s5u h THR 37 N 0.82 1.10 -0.05 2.04 2.02 -0.62 -1.87 112.91 116.36 1s5u h THR 37 Ca 0.19 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 1s5u h THR 37 Cb 0.27 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1s5u h THR 37 CO -0.01 0.14 -0.56 -0.33 0.37 0.00 0.00 175.52 175.12 1s5u h GLU 38 N 0.75 0.14 -0.52 6.66 4.39 -0.68 -1.82 114.58 123.50 1s5u h GLU 38 Ca 0.23 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1s5u h GLU 38 Cb -0.02 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1s5u h GLU 38 CO -0.08 0.67 0.07 1.98 -1.16 0.00 0.00 179.01 180.49 1s5u h MET 39 N 0.11 0.88 -0.67 2.33 4.05 -0.64 -0.89 114.93 120.09 1s5u h MET 39 Ca -0.00 -0.24 -0.06 0.00 -0.28 0.00 0.00 59.70 59.11 1s5u h MET 39 Cb 1.03 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.70 1s5u h MET 39 CO 0.08 0.87 0.17 -0.07 0.23 0.00 0.00 176.91 178.19 1s5u h LEU 40 N 0.76 1.00 -0.57 3.39 3.38 -1.15 -2.21 115.31 119.91 1s5u h LEU 40 Ca 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1s5u h LEU 40 Cb 0.43 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1s5u h LEU 40 CO 0.01 0.96 0.27 -0.09 0.09 0.00 0.00 178.44 179.69 1s5u h ARG 41 N 1.01 0.82 -0.48 1.13 2.43 -1.02 0.53 114.38 118.80 1s5u h ARG 41 Ca 0.21 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1s5u h ARG 41 Cb 0.34 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1s5u h ARG 41 CO -0.00 0.67 0.32 1.25 -1.51 0.00 0.00 179.97 180.70 1s5u h HIS 42 N 0.77 0.47 -0.66 2.20 2.76 -0.74 -0.96 115.15 119.00 1s5u h HIS 42 Ca 0.20 0.01 -0.35 0.00 -2.20 0.00 0.00 60.37 58.03 1s5u h HIS 42 Cb 0.12 -0.16 -0.20 0.00 1.55 0.00 0.00 27.41 28.72 1s5u h HIS 42 CO -0.00 0.26 0.45 0.72 -1.30 0.00 0.00 177.93 178.06 1s5u n HIS 43 N -4.48 2.03 -1.75 5.26 8.25 -0.82 -4.85 115.22 118.87 1s5u n HIS 43 Ca 0.06 -1.48 -0.13 0.00 -0.26 0.00 0.00 57.72 55.91 1s5u n HIS 43 Cb 0.19 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.52 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 -0.54 -0.26 -3.38 4.41 -0.00 -0.37 -4.97 115.22 110.12 1s5u n HIS 44 Ca 0.40 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.85 1s5u n HIS 44 Cb 1.21 -2.57 -0.08 0.00 -0.00 0.00 0.00 29.99 28.56 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 -3.22 3.00 -1.33 4.41 3.72 0.18 -4.90 117.46 119.32 1s5u n PHE 45 Ca -0.14 -4.06 -0.29 0.00 -0.05 0.00 0.00 57.45 52.91 1s5u n PHE 45 Cb 0.51 -0.53 0.19 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.27 2.34 0.37 4.37 1.04 -1.26 -3.18 113.70 115.11 1s5u s SER 46 Ca 0.39 0.83 0.04 0.00 0.48 0.00 0.00 55.95 57.70 1s5u s SER 46 Cb 0.15 -1.26 0.70 0.00 0.10 0.00 0.00 66.02 65.71 1s5u s SER 46 CO -0.03 -3.26 1.98 1.56 0.98 0.00 0.00 173.24 174.47 1s5u h GLN 47 N -1.99 0.64 0.00 4.02 1.08 -1.97 -0.10 115.11 116.80 1s5u h GLN 47 Ca -0.49 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1s5u h GLN 47 Cb 1.31 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1s5u h GLN 47 CO 0.49 0.49 -0.00 0.37 -0.95 0.00 0.00 178.83 179.23 1s5u h GLN 48 N 0.65 -0.00 -0.61 1.46 4.15 -1.99 0.33 115.11 119.08 1s5u h GLN 48 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1s5u h GLN 48 Cb 0.05 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1s5u h GLN 48 CO -0.02 0.10 0.32 0.00 -1.93 0.00 0.00 178.83 177.29 1s5u h ALA 49 N 0.89 1.41 -0.40 3.38 0.00 -1.76 -1.22 119.26 121.57 1s5u h ALA 49 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1s5u h ALA 49 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s5u h ALA 49 CO 0.00 0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 179.48 1s5u h LEU 50 N 0.85 0.85 -0.82 0.00 3.38 -0.66 -2.10 115.31 116.81 1s5u h LEU 50 Ca 0.22 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1s5u h LEU 50 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1s5u h LEU 50 CO -0.03 1.06 0.43 0.24 0.09 0.00 0.00 178.44 180.23 1s5u h MET 51 N 0.64 1.16 -0.39 1.13 2.86 -0.50 -0.67 114.93 119.17 1s5u h MET 51 Ca 0.09 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1s5u h MET 51 Cb 0.73 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1s5u h MET 51 CO 0.06 0.87 0.21 0.00 1.06 0.00 0.00 176.91 179.11 1s5u h ALA 52 N 1.23 1.64 -0.00 6.32 0.00 -1.03 0.77 119.26 128.19 1s5u h ALA 52 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1s5u h ALA 52 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1s5u h ALA 52 CO -0.04 0.30 -0.10 0.39 0.00 0.00 0.00 179.25 179.80 1s5u n GLU 53 N -4.43 0.56 -3.17 0.00 -0.58 -0.69 -4.92 120.64 107.40 1s5u n GLU 53 Ca 0.03 -0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.46 1s5u n GLU 53 Cb 0.10 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.53 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 -1.09 -5.29 -4.65 3.49 0.63 0.26 -4.98 116.66 105.04 1s5u n ARG 54 Ca 0.13 0.60 -0.22 0.00 -0.92 0.00 0.00 57.85 57.45 1s5u n ARG 54 Cb 0.28 -4.93 -0.15 0.00 0.45 0.00 0.00 32.46 28.10 1s5u n ARG 54 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1s5u s VAL 55 N -3.24 1.11 0.04 5.15 1.01 -0.38 -4.29 120.40 119.80 1s5u s VAL 55 Ca 0.22 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1s5u s VAL 55 Cb -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1s5u s VAL 55 CO 0.53 0.31 -0.04 0.00 0.00 0.00 0.00 175.10 175.90 1s5u s ALA 56 N -0.34 0.36 -0.04 5.51 0.00 -0.14 -4.23 121.76 122.88 1s5u s ALA 56 Ca 0.05 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1s5u s ALA 56 Cb -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1s5u s ALA 56 CO -0.01 -0.21 -0.21 -0.06 0.00 0.00 0.00 175.76 175.27 1s5u s PHE 57 N -2.36 2.50 -0.06 0.00 0.08 -1.26 -0.59 117.98 116.29 1s5u s PHE 57 Ca -0.06 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1s5u s PHE 57 Cb -0.03 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1s5u s PHE 57 CO -0.04 0.02 -0.16 0.08 -0.10 0.00 0.00 175.22 175.03 1s5u s VAL 58 N -0.58 1.36 -0.05 -0.44 1.01 -0.52 -4.95 120.40 116.23 1s5u s VAL 58 Ca 0.08 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1s5u s VAL 58 Cb -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1s5u s VAL 58 CO 0.00 0.40 1.43 -0.69 0.00 0.00 0.00 175.10 176.25 1s5u s VAL 59 N 0.32 3.79 -0.21 2.92 1.01 -1.26 -0.87 120.40 126.09 1s5u s VAL 59 Ca -0.10 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.01 1s5u s VAL 59 Cb -0.14 -3.70 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 1s5u s VAL 59 CO 0.03 -0.04 -0.02 -1.14 0.00 0.00 0.00 175.10 173.93 1s5u n ARG 60 N 6.05 0.68 -3.70 2.72 3.00 0.38 -4.94 116.66 120.85 1s5u n ARG 60 Ca 0.14 0.15 -0.13 0.00 -0.00 0.00 0.00 57.85 58.01 1s5u n ARG 60 Cb 0.44 -1.57 -0.09 0.00 0.00 0.00 0.00 32.46 31.24 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 -2.53 0.60 -0.09 -0.14 2.20 -1.09 -5.01 119.74 113.68 1s5u s LYS 61 Ca -0.27 0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 56.02 1s5u s LYS 61 Cb 0.08 0.29 0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1s5u s LYS 61 CO 0.68 -0.07 0.21 1.41 -0.36 0.00 0.00 175.35 177.22 1s5u s MET 62 N 0.31 0.18 -0.09 4.03 1.75 -1.26 -0.85 119.30 123.36 1s5u s MET 62 Ca -0.00 0.44 0.02 0.00 -1.25 0.00 0.00 55.69 54.90 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 0.00 -0.14 -0.17 0.99 -0.65 0.00 0.00 175.02 175.05 1s5u s THR 63 N 1.04 1.55 -0.04 10.11 2.01 -0.82 -5.00 115.64 124.49 1s5u s THR 63 Ca -0.08 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1s5u s THR 63 Cb -0.09 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 1s5u s THR 63 CO -0.06 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.46 1s5u s VAL 64 N 0.71 1.41 -0.12 3.82 1.01 -1.26 -1.41 120.40 124.56 1s5u s VAL 64 Ca -0.12 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1s5u s VAL 64 Cb -0.16 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1s5u s VAL 64 CO 0.03 0.41 -0.19 -0.70 0.00 0.00 0.00 175.10 174.65 1s5u s GLU 65 N 0.02 3.21 -0.27 2.72 2.12 0.29 -4.97 118.70 121.80 1s5u s GLU 65 Ca -0.03 -0.78 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 1s5u s GLU 65 Cb -0.11 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 1s5u s GLU 65 CO 0.02 0.17 0.10 0.71 -0.54 0.00 0.00 175.26 175.72 1s5u s TYR 66 N 0.40 3.13 -0.22 5.30 2.02 -1.26 -1.24 117.35 125.48 1s5u s TYR 66 Ca -0.14 -0.52 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 1s5u s TYR 66 Cb -0.17 -2.28 -0.11 0.00 -0.40 0.00 0.00 41.96 39.00 1s5u s TYR 66 CO 0.06 -0.41 -0.25 0.66 -1.57 0.00 0.00 175.55 174.05 1s5u n TYR 67 N 4.94 0.00 -3.90 2.71 4.01 0.14 -4.99 117.16 120.07 1s5u n TYR 67 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 1s5u n TYR 67 Cb 0.50 -0.81 -0.10 0.00 -0.31 0.00 0.00 39.34 38.62 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 -2.42 -0.22 0.55 -0.72 0.00 -0.42 -5.03 121.76 113.50 1s5u s ALA 68 Ca -0.30 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1s5u s ALA 68 Cb 0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1s5u s ALA 68 CO 0.43 -0.22 0.90 -1.25 0.00 0.00 0.00 175.76 175.63 1s5u s PRO 69 N -1.60 3.57 0.13 0.00 0.04 -1.26 -4.57 135.00 131.31 1s5u s PRO 69 Ca -0.13 0.46 0.06 0.00 0.04 0.00 0.00 61.00 61.43 1s5u s PRO 69 Cb -0.07 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1s5u s PRO 69 CO 0.00 -0.38 -0.00 0.00 0.04 0.00 0.00 177.00 176.66 1s5u s ALA 70 N -2.95 3.23 0.34 8.56 0.00 -1.26 -5.01 121.76 124.68 1s5u s ALA 70 Ca 0.51 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1s5u s ALA 70 Cb -0.11 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 1s5u s ALA 70 CO 0.49 0.59 0.06 1.03 0.00 0.00 0.00 175.76 177.93 1s5u s ARG 71 N -2.61 1.72 0.12 0.00 0.52 -1.26 -1.32 118.95 116.11 1s5u s ARG 71 Ca 0.26 -1.97 -0.35 0.00 -0.52 0.00 0.00 55.73 53.15 1s5u s ARG 71 Cb -0.11 -0.93 -0.16 0.00 0.52 0.00 0.00 34.95 34.27 1s5u s ARG 71 CO 0.18 -0.21 1.25 -0.11 0.02 0.00 0.00 175.30 176.43 1s5u n LEU 72 N -0.75 1.48 0.00 2.53 7.94 -1.26 -1.67 117.00 125.27 1s5u n LEU 72 Ca -0.03 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 1s5u n LEU 72 Cb 0.67 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1s5u n LEU 72 CO 0.42 -1.21 0.00 -0.67 -1.11 0.00 0.00 177.39 174.82 1s5u n ASP 73 N 2.27 -0.70 -4.77 1.96 2.03 -0.24 -5.00 116.55 112.10 1s5u n ASP 73 Ca 0.17 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.10 1s5u n ASP 73 Cb 0.21 -0.82 -0.00 0.00 -0.72 0.00 0.00 41.12 39.78 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 -2.59 6.14 -0.30 1.67 1.01 -0.67 -4.67 116.67 117.25 1s5u s ASP 74 Ca 0.00 2.46 -0.10 0.00 0.71 0.00 0.00 52.55 55.63 1s5u s ASP 74 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1s5u s ASP 74 CO 0.00 -0.95 0.15 -0.32 0.21 0.00 0.00 175.17 174.26 1s5u s MET 75 N -2.54 3.45 0.40 8.23 -2.45 -1.26 -1.56 119.30 123.56 1s5u s MET 75 Ca 0.62 -0.64 0.08 0.00 -1.25 0.00 0.00 55.69 54.49 1s5u s MET 75 Cb -0.33 -3.56 -0.01 0.00 1.25 0.00 0.00 34.83 32.18 1s5u s MET 75 CO 0.41 -0.37 0.45 -0.51 1.05 0.00 0.00 175.02 176.06 1s5u s LEU 76 N 1.64 3.60 -0.07 4.11 1.43 0.70 -3.48 118.68 126.60 1s5u s LEU 76 Ca 0.05 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1s5u s LEU 76 Cb -0.17 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1s5u s LEU 76 CO 0.07 -0.63 -0.09 -0.70 0.23 0.00 0.00 176.35 175.23 1s5u s GLU 77 N -4.21 1.41 -0.21 1.70 2.12 -0.19 -1.35 118.70 117.98 1s5u s GLU 77 Ca 0.49 -0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.45 1s5u s GLU 77 Cb -0.07 -1.31 -0.05 0.00 0.26 0.00 0.00 34.13 32.96 1s5u s GLU 77 CO 0.30 -0.10 0.13 0.42 -0.54 0.00 0.00 175.26 175.48 1s5u s ILE 78 N 1.09 5.37 -0.16 -3.70 -1.09 0.16 -1.61 121.20 121.26 1s5u s ILE 78 Ca -0.07 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1s5u s ILE 78 Cb -0.14 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1s5u s ILE 78 CO -0.01 0.42 -0.03 -1.10 -1.23 0.00 0.00 174.94 172.99 1s5u s GLN 79 N 0.51 3.67 0.01 2.79 -0.21 0.17 -0.65 119.66 125.95 1s5u s GLN 79 Ca 0.08 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 54.97 1s5u s GLN 79 Cb -0.12 -2.93 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 1s5u s GLN 79 CO -0.01 0.22 -0.10 0.99 -2.12 0.00 0.00 175.29 174.28 1s5u s THR 80 N 0.42 0.77 -0.08 -0.19 2.01 -0.03 -1.58 115.64 116.96 1s5u s THR 80 Ca -0.04 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 1s5u s THR 80 Cb -0.14 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.73 1s5u s THR 80 CO 0.03 0.12 0.38 -0.70 -0.69 0.00 0.00 174.62 173.75 1s5u s GLU 81 N -0.49 0.60 -0.29 4.92 2.12 -0.75 -0.75 118.70 124.06 1s5u s GLU 81 Ca 0.02 0.18 -0.16 0.00 0.36 0.00 0.00 54.97 55.37 1s5u s GLU 81 Cb -0.05 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 1s5u s GLU 81 CO -0.00 -0.13 0.43 0.42 -0.54 0.00 0.00 175.26 175.43 1s5u s ILE 82 N -0.60 5.12 -0.79 -3.70 1.01 -1.26 -0.66 121.20 120.32 1s5u s ILE 82 Ca -0.07 0.53 0.17 0.00 0.00 0.00 0.00 60.65 61.28 1s5u s ILE 82 Cb -0.04 -3.79 -0.18 0.00 0.01 0.00 0.00 42.46 38.46 1s5u s ILE 82 CO 0.03 0.05 0.71 0.35 0.00 0.00 0.00 174.94 176.08 1s5u n THR 83 N 5.20 0.00 -3.65 2.92 -2.24 -0.50 -4.97 114.28 111.04 1s5u n THR 83 Ca -0.07 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1s5u n THR 83 Cb 0.50 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.61 -0.54 -0.05 3.42 0.15 -1.21 -4.98 113.70 107.87 1s5u s SER 84 Ca 0.06 0.87 -0.02 0.00 0.70 0.00 0.00 55.95 57.56 1s5u s SER 84 Cb 0.13 0.87 0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1s5u s SER 84 CO 0.69 -0.34 0.10 -0.32 1.20 0.00 0.00 173.24 174.57 1s5u s MET 85 N -0.34 0.02 -0.23 5.44 1.75 -1.26 -0.81 119.30 123.87 1s5u s MET 85 Ca -0.05 0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.69 1s5u s MET 85 Cb -0.03 -0.26 0.13 0.00 2.84 0.00 0.00 34.83 37.51 1s5u s MET 85 CO 0.04 -0.20 0.38 0.50 -0.65 0.00 0.00 175.02 175.08 1s5u s ARG 86 N 1.40 0.34 1.01 4.11 3.52 -0.03 -5.01 118.95 124.29 1s5u s ARG 86 Ca -0.06 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1s5u s ARG 86 Cb -0.12 -0.35 0.00 0.00 -1.56 0.00 0.00 34.95 32.92 1s5u s ARG 86 CO -0.05 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.28 1s5u n GLY 87 N 5.37 0.25 0.35 8.12 0.00 -1.26 -0.75 105.19 117.27 1s5u n GLY 87 Ca -0.04 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.53 1s5u n GLY 87 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s5u n THR 88 N 0.00 0.58 -4.26 2.61 -2.24 -1.26 -1.70 114.28 108.01 1s5u n THR 88 Ca 0.00 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.85 1s5u n THR 88 Cb 0.00 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.83 1.50 0.02 3.42 1.04 0.07 0.16 113.70 119.08 1s5u s SER 89 Ca 0.12 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.44 1s5u s SER 89 Cb 0.07 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1s5u s SER 89 CO 0.09 -0.48 -0.04 -0.76 0.98 0.00 0.00 173.24 173.03 1s5u s LEU 90 N -3.19 2.15 -0.17 2.42 1.02 -0.20 -0.85 118.68 119.86 1s5u s LEU 90 Ca 0.22 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.02 1s5u s LEU 90 Cb 0.05 -0.08 -0.01 0.00 0.02 0.00 0.00 46.19 46.17 1s5u s LEU 90 CO 0.03 -0.13 -0.09 -0.69 0.02 0.00 0.00 176.35 175.49 1s5u s VAL 91 N -0.86 3.18 -0.14 -1.59 1.01 0.01 -0.41 120.40 121.61 1s5u s VAL 91 Ca -0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1s5u s VAL 91 Cb -0.06 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1s5u s VAL 91 CO -0.00 0.48 0.04 -0.36 0.00 0.00 0.00 175.10 175.26 1s5u s PHE 92 N 0.91 3.24 -0.21 5.22 0.08 0.14 -1.41 117.98 125.95 1s5u s PHE 92 Ca -0.02 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1s5u s PHE 92 Cb -0.15 -1.95 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 1s5u s PHE 92 CO 0.00 0.32 -0.07 0.99 -0.10 0.00 0.00 175.22 176.36 1s5u s THR 93 N -0.24 3.18 0.16 0.64 2.01 0.16 -0.12 115.64 121.43 1s5u s THR 93 Ca 0.07 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1s5u s THR 93 Cb -0.12 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1s5u s THR 93 CO 0.02 0.44 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.25 1s5u s GLN 94 N 1.38 1.08 0.06 4.92 -0.21 -0.19 -1.80 119.66 124.89 1s5u s GLN 94 Ca 0.05 -1.49 -0.20 0.00 0.02 0.00 0.00 55.36 53.73 1s5u s GLN 94 Cb -0.14 -0.42 0.05 0.00 1.00 0.00 0.00 33.01 33.49 1s5u s GLN 94 CO -0.04 -0.04 0.47 -0.98 -2.12 0.00 0.00 175.29 172.58 1s5u s ARG 95 N -3.84 1.01 -0.11 2.91 1.70 -0.62 -0.70 118.95 119.30 1s5u s ARG 95 Ca 0.20 -0.33 0.03 0.00 -0.47 0.00 0.00 55.73 55.16 1s5u s ARG 95 Cb 0.05 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 1s5u s ARG 95 CO 0.02 -0.36 -0.22 0.42 -1.08 0.00 0.00 175.30 174.07 1s5u s ILE 96 N -2.63 1.96 0.22 4.99 1.01 0.07 -0.65 121.20 126.16 1s5u s ILE 96 Ca -0.04 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1s5u s ILE 96 Cb -0.00 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 1s5u s ILE 96 CO -0.03 0.54 -0.06 0.68 0.00 0.00 0.00 174.94 176.06 1s5u s VAL 97 N 0.49 1.35 0.03 2.92 -7.23 -0.63 -0.91 120.40 116.42 1s5u s VAL 97 Ca -0.16 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 57.92 1s5u s VAL 97 Cb -0.17 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1s5u s VAL 97 CO 0.06 -0.44 0.04 -0.46 -0.31 0.00 0.00 175.10 173.99 1s5u n ASN 98 N -0.42 0.14 0.10 4.85 0.23 -0.99 -1.02 115.26 118.16 1s5u n ASN 98 Ca -0.07 -1.08 0.07 0.00 -0.53 0.00 0.00 54.58 52.98 1s5u n ASN 98 Cb 0.63 -0.02 0.38 0.00 -2.08 0.00 0.00 39.78 38.69 1s5u n ASN 98 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s5u n ALA 99 N -2.96 1.13 0.13 -2.53 0.00 -1.23 -1.18 120.51 113.87 1s5u n ALA 99 Ca -0.01 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1s5u n ALA 99 Cb 0.03 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 18.39 1s5u n ALA 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s5u n GLU 100 N -1.98 1.99 -1.34 0.00 1.02 -1.26 -4.96 120.64 114.11 1s5u n GLU 100 Ca -0.00 -1.79 -0.09 0.00 -0.02 0.00 0.00 57.16 55.25 1s5u n GLU 100 Cb 0.05 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.75 -4.03 -4.76 1.62 5.15 -0.32 -5.00 115.26 108.66 1s5u n ASN 101 Ca 0.11 0.21 -0.41 0.00 -0.60 0.00 0.00 54.58 53.90 1s5u n ASN 101 Cb 0.41 -2.42 -0.03 0.00 -0.53 0.00 0.00 39.78 37.21 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 3.13 -0.33 -0.44 2.01 -1.26 -4.78 115.64 111.61 1s5u s THR 102 Ca 0.00 1.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.84 1s5u s THR 102 Cb 0.00 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1s5u s THR 102 CO 0.00 0.25 0.92 -0.22 -0.69 0.00 0.00 174.62 174.88 1s5u s LEU 103 N -1.39 4.02 -0.15 4.42 2.96 -1.26 -2.34 118.68 124.94 1s5u s LEU 103 Ca 0.48 0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 54.99 1s5u s LEU 103 Cb -0.36 -3.27 -0.24 0.00 0.50 0.00 0.00 46.19 42.82 1s5u s LEU 103 CO 0.46 -0.78 0.36 -0.07 -1.32 0.00 0.00 176.35 174.99 1s5u h LEU 104 N 9.85 0.26 -7.43 -0.68 3.38 -1.27 -3.37 115.31 116.05 1s5u h LEU 104 Ca -0.23 -0.77 0.14 0.00 0.09 0.00 0.00 57.88 57.11 1s5u h LEU 104 Cb 1.08 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 1s5u h LEU 104 CO 0.96 1.67 0.45 0.54 0.09 0.00 0.00 178.44 182.16 1s5u s ASN 105 N -6.97 -0.27 0.05 -0.43 2.20 -1.17 0.25 114.94 108.59 1s5u s ASN 105 Ca -0.24 -0.26 -0.09 0.00 -0.94 0.00 0.00 52.86 51.32 1s5u s ASN 105 Cb 0.06 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.79 1s5u s ASN 105 CO 0.70 -0.85 0.20 -1.83 -2.94 0.00 0.00 177.10 172.38 1s5u s GLU 106 N -3.31 0.72 0.05 3.55 -1.05 -0.37 -0.75 118.70 117.54 1s5u s GLU 106 Ca 0.09 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.16 1s5u s GLU 106 Cb -0.02 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 33.97 1s5u s GLU 106 CO -0.02 -0.21 0.15 0.00 0.95 0.00 0.00 175.26 176.13 1s5u s ALA 107 N -2.76 -0.18 -0.13 -0.84 0.00 0.12 -0.55 121.76 117.41 1s5u s ALA 107 Ca -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1s5u s ALA 107 Cb -0.00 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1s5u s ALA 107 CO -0.05 -0.38 -0.18 -2.00 0.00 0.00 0.00 175.76 173.14 1s5u s GLU 108 N -2.98 2.63 -0.17 0.00 2.12 -0.50 -1.03 118.70 118.77 1s5u s GLU 108 Ca -0.02 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1s5u s GLU 108 Cb 0.01 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.23 1s5u s GLU 108 CO -0.06 -0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 174.53 1s5u s VAL 109 N 1.00 1.61 -0.28 3.70 1.01 0.83 -1.95 120.40 126.32 1s5u s VAL 109 Ca -0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1s5u s VAL 109 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1s5u s VAL 109 CO -0.04 0.35 0.45 -0.22 0.00 0.00 0.00 175.10 175.64 1s5u s LEU 110 N 1.45 4.11 0.07 3.92 2.96 -0.03 0.25 118.68 131.41 1s5u s LEU 110 Ca 0.03 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1s5u s LEU 110 Cb -0.14 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1s5u s LEU 110 CO -0.10 -0.28 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.81 1s5u s VAL 111 N 2.22 3.01 -0.06 1.68 1.01 0.45 -0.47 120.40 128.23 1s5u s VAL 111 Ca 0.18 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 60.97 1s5u s VAL 111 Cb -0.16 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1s5u s VAL 111 CO 0.10 0.23 -0.24 -0.69 0.00 0.00 0.00 175.10 174.50 1s5u s VAL 112 N -1.05 2.10 -0.03 2.92 1.01 -0.05 -1.03 120.40 124.27 1s5u s VAL 112 Ca 0.17 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1s5u s VAL 112 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1s5u s VAL 112 CO 0.09 0.57 1.00 0.00 0.00 0.00 0.00 175.10 176.76 1s5u s VAL 114 N 1.30 0.31 0.04 0.00 -7.23 0.24 -0.76 120.40 114.31 1s5u s VAL 114 Ca 0.51 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1s5u s VAL 114 Cb -0.21 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1s5u s VAL 114 CO 0.25 -0.51 1.15 -0.62 -0.31 0.00 0.00 175.10 175.06 1s5u s ASP 115 N -3.08 7.14 0.19 4.85 2.15 -0.88 -0.97 116.67 126.07 1s5u s ASP 115 Ca 0.23 1.91 -0.14 0.00 0.43 0.00 0.00 52.55 54.98 1s5u s ASP 115 Cb 0.07 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 40.31 1s5u s ASP 115 CO 0.02 -0.43 1.66 -0.65 -0.17 0.00 0.00 175.17 175.59 1s5u h PRO 116 N 6.86 0.04 0.23 4.34 0.11 -1.85 1.14 132.00 142.86 1s5u h PRO 116 Ca -0.41 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1s5u h PRO 116 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s5u h PRO 116 CO 0.80 0.02 -0.11 1.25 -0.21 0.00 0.00 178.00 179.76 1s5u h LEU 117 N 0.04 -0.26 0.00 2.35 5.85 -1.95 -3.32 115.31 118.02 1s5u h LEU 117 Ca 0.26 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1s5u h LEU 117 Cb 0.40 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1s5u h LEU 117 CO -0.51 0.12 -0.80 0.11 -0.34 0.00 0.00 178.44 177.03 1s5u h LYS 118 N -0.68 0.00 -6.22 1.25 1.79 -1.97 -3.48 116.57 107.26 1s5u h LYS 118 Ca -0.03 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.98 1s5u h LYS 118 Cb 0.48 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1s5u h LYS 118 CO 0.05 0.00 -0.76 -1.33 -1.08 0.00 0.00 179.45 176.33 1s5u n MET 119 N -2.43 -5.64 -4.42 3.15 2.81 0.39 -4.94 117.12 106.03 1s5u n MET 119 Ca 0.02 0.62 -0.32 0.00 -1.81 0.00 0.00 57.70 56.21 1s5u n MET 119 Cb 0.50 -5.47 -0.10 0.00 -0.71 0.00 0.00 33.22 27.44 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 -6.48 2.63 0.28 0.03 -0.14 -1.25 -4.80 119.74 110.01 1s5u s LYS 120 Ca 0.53 -0.68 -0.28 0.00 -1.36 0.00 0.00 55.97 54.19 1s5u s LYS 120 Cb -0.26 -2.55 -0.14 0.00 -1.68 0.00 0.00 37.83 33.19 1s5u s LYS 120 CO 0.82 0.61 0.95 -2.30 -0.76 0.00 0.00 175.35 174.67 1s5u n PRO 121 N 1.57 1.18 -3.71 -1.68 -0.02 -1.26 -2.08 135.00 129.01 1s5u n PRO 121 Ca -0.15 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.60 1s5u n PRO 121 Cb 0.53 -1.74 -0.09 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 -1.49 0.62 0.31 -0.52 1.70 0.07 -4.83 118.95 114.81 1s5u s ARG 122 Ca 0.59 0.36 -0.28 0.00 -0.47 0.00 0.00 55.73 55.93 1s5u s ARG 122 Cb -0.73 0.29 -0.13 0.00 -0.57 0.00 0.00 34.95 33.81 1s5u s ARG 122 CO 0.59 -0.12 1.15 0.00 -1.08 0.00 0.00 175.30 175.84 1s5u n ALA 123 N 2.20 0.48 -1.85 7.88 0.00 -1.26 -4.53 120.51 123.42 1s5u n ALA 123 Ca -0.16 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1s5u n ALA 123 Cb 0.57 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1s5u n ALA 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s5u s LEU 124 N -0.20 4.38 0.47 0.00 1.43 -0.69 -4.93 118.68 119.15 1s5u s LEU 124 Ca 0.58 2.53 -0.23 0.00 -1.03 0.00 0.00 54.13 55.98 1s5u s LEU 124 Cb -0.64 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.93 1s5u s LEU 124 CO 0.60 -0.95 1.01 -2.65 0.23 0.00 0.00 176.35 174.59 1s5u n PRO 125 N 6.25 1.27 0.30 1.29 -0.02 -1.26 -4.68 135.00 138.15 1s5u n PRO 125 Ca 0.17 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 1s5u n PRO 125 Cb 0.41 -2.10 0.97 0.00 -0.02 0.00 0.00 33.50 32.76 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 1.29 0.00 -0.70 -0.52 1.79 -1.98 -0.97 116.57 115.48 1s5u h LYS 126 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1s5u h LYS 126 Cb 1.34 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 1s5u h LYS 126 CO 0.55 0.00 0.45 0.66 -1.08 0.00 0.00 179.45 180.04 1s5u h SER 127 N 0.00 0.81 0.13 0.86 4.64 -1.97 0.42 113.55 118.44 1s5u h SER 127 Ca 0.01 -0.03 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1s5u h SER 127 Cb 0.07 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1s5u h SER 127 CO -0.00 0.60 -1.64 -0.29 -0.87 0.00 0.00 176.83 174.62 1s5u h ILE 128 N 0.95 0.88 -0.55 0.95 2.10 -1.56 -3.22 117.51 117.07 1s5u h ILE 128 Ca 0.26 -2.39 0.02 0.00 1.08 0.00 0.00 64.86 63.83 1s5u h ILE 128 Cb -0.09 2.63 -0.03 0.00 -1.09 0.00 0.00 36.82 38.23 1s5u h ILE 128 CO -0.05 0.77 0.34 0.58 -1.08 0.00 0.00 178.15 178.70 1s5u h VAL 129 N -0.16 1.07 0.00 2.19 2.07 -1.16 0.13 116.25 120.40 1s5u h VAL 129 Ca -0.35 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1s5u h VAL 129 Cb 1.88 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1s5u h VAL 129 CO 0.07 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1s5u n ALA 130 N -2.28 1.74 0.03 1.67 0.00 0.15 -2.50 120.51 119.32 1s5u n ALA 130 Ca 0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1s5u n ALA 130 Cb 0.07 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 1s5u n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s5u h GLU 131 N 0.00 0.21 -0.01 0.00 4.22 -0.76 -3.50 114.58 114.74 1s5u h GLU 131 Ca 0.00 -0.36 0.00 0.00 0.08 0.00 0.00 59.36 59.08 1s5u h GLU 131 Cb 0.20 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s5u h GLU 131 CO 0.00 1.02 0.00 1.19 -2.18 0.00 0.00 179.01 179.04