#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5u s THR 4 N 0.00 2.65 0.26 4.28 -4.23 -1.26 -4.86 115.64 112.48 1s5u s THR 4 Ca 0.00 0.60 -0.31 0.00 -1.18 0.00 0.00 61.69 60.81 1s5u s THR 4 Cb 0.00 -3.39 -0.12 0.00 1.34 0.00 0.00 72.50 70.34 1s5u s THR 4 CO 0.00 0.13 1.65 -0.11 -0.54 0.00 0.00 174.62 175.74 1s5u n LEU 5 N 1.39 4.25 -4.58 4.79 7.94 -1.26 -4.86 117.00 124.67 1s5u n LEU 5 Ca 0.03 1.12 -0.35 0.00 -1.11 0.00 0.00 56.01 55.70 1s5u n LEU 5 Cb 0.41 -1.59 -0.11 0.00 0.53 0.00 0.00 43.42 42.66 1s5u n LEU 5 CO 0.60 0.17 -0.27 0.12 -1.11 0.00 0.00 177.39 176.90 1s5u s PHE 6 N 0.41 3.18 -0.13 1.96 5.36 0.55 -4.93 117.98 124.38 1s5u s PHE 6 Ca 0.68 -0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1s5u s PHE 6 Cb -0.50 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 1s5u s PHE 6 CO 0.43 0.02 -0.00 1.03 -1.46 0.00 0.00 175.22 175.24 1s5u s ARG 7 N 0.61 3.45 -0.09 10.12 0.52 -1.26 -0.36 118.95 131.94 1s5u s ARG 7 Ca 0.02 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 1s5u s ARG 7 Cb -0.13 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.45 1s5u s ARG 7 CO 0.02 0.43 -0.04 -0.46 0.02 0.00 0.00 175.30 175.27 1s5u s TRP 8 N -0.14 1.09 0.26 -0.53 -0.11 0.06 -4.96 118.94 114.61 1s5u s TRP 8 Ca 0.04 -0.46 -0.29 0.00 1.22 0.00 0.00 56.10 56.62 1s5u s TRP 8 Cb -0.13 -1.01 -0.09 0.00 -1.50 0.00 0.00 33.47 30.74 1s5u s TRP 8 CO 0.02 -0.41 0.95 -1.25 -4.62 0.00 0.00 176.95 171.64 1s5u s PRO 9 N 1.78 4.78 -0.05 5.86 0.04 -1.26 -0.09 135.00 146.05 1s5u s PRO 9 Ca 0.04 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 1s5u s PRO 9 Cb -0.13 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1s5u s PRO 9 CO -0.06 0.44 0.09 0.08 0.04 0.00 0.00 177.00 177.59 1s5u s VAL 10 N -1.29 -0.12 0.02 -0.36 1.01 -0.50 -4.94 120.40 114.21 1s5u s VAL 10 Ca 0.44 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 1s5u s VAL 10 Cb -0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 1s5u s VAL 10 CO 0.30 0.14 0.48 -0.60 0.00 0.00 0.00 175.10 175.42 1s5u s ARG 11 N 1.78 4.08 -0.18 2.72 6.06 -1.26 -0.37 118.95 131.78 1s5u s ARG 11 Ca -0.01 0.56 -0.21 0.00 -2.50 0.00 0.00 55.73 53.57 1s5u s ARG 11 Cb -0.12 -3.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.62 1s5u s ARG 11 CO -0.04 0.62 0.65 0.08 -2.50 0.00 0.00 175.30 174.11 1s5u s VAL 12 N -0.94 5.01 0.41 7.11 1.01 -0.66 -4.98 120.40 127.36 1s5u s VAL 12 Ca 0.26 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1s5u s VAL 12 Cb -0.18 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1s5u s VAL 12 CO 0.16 0.12 0.19 -0.31 0.00 0.00 0.00 175.10 175.26 1s5u s TYR 13 N 1.81 2.62 0.36 5.22 2.02 -1.26 -1.07 117.35 127.04 1s5u s TYR 13 Ca 0.30 -0.58 0.10 0.00 -0.37 0.00 0.00 57.07 56.53 1s5u s TYR 13 Cb -0.16 -1.97 0.86 0.00 -0.40 0.00 0.00 41.96 40.29 1s5u s TYR 13 CO 0.11 0.17 1.85 1.88 -1.57 0.00 0.00 175.55 177.98 1s5u h TYR 14 N 1.40 0.81 -0.05 2.71 0.05 -1.97 -0.11 116.97 119.81 1s5u h TYR 14 Ca -0.43 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.39 1s5u h TYR 14 Cb 1.25 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1s5u h TYR 14 CO 0.62 0.26 0.07 1.05 -1.05 0.00 0.00 178.16 179.11 1s5u h GLU 15 N 0.65 0.00 0.00 4.88 4.11 -2.01 -1.99 114.58 120.21 1s5u h GLU 15 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1s5u h GLU 15 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1s5u h GLU 15 CO -0.23 0.00 -0.87 -0.25 0.07 0.00 0.00 179.01 177.73 1s5u n ASP 16 N -3.67 0.74 -4.96 3.06 8.00 -0.06 -4.95 116.55 114.71 1s5u n ASP 16 Ca -0.02 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.40 1s5u n ASP 16 Cb 0.16 0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.70 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 -3.26 3.60 0.41 -3.53 -4.23 -0.75 -0.87 115.64 107.00 1s5u s THR 17 Ca 0.03 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1s5u s THR 17 Cb 0.12 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1s5u s THR 17 CO 0.77 -0.24 0.13 1.51 -0.54 0.00 0.00 174.62 176.25 1s5u s ASP 18 N -4.28 2.75 0.66 3.99 1.47 -0.35 -4.65 116.67 116.27 1s5u s ASP 18 Ca 0.51 -1.67 0.34 0.00 1.18 0.00 0.00 52.55 52.91 1s5u s ASP 18 Cb -0.10 0.50 1.87 0.00 -0.34 0.00 0.00 42.92 44.85 1s5u s ASP 18 CO 0.38 -0.93 2.06 0.00 0.68 0.00 0.00 175.17 177.36 1s5u h ALA 19 N 1.80 1.26 0.00 2.11 0.00 -1.99 -0.08 119.26 122.37 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 0.56 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1s5u n GLY 20 N -1.19 -0.94 1.58 0.00 0.00 -1.26 -4.87 105.19 98.50 1s5u n GLY 20 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.46 0.66 3.40 -0.02 0.00 -0.04 -5.04 105.19 104.60 1s5u n GLY 21 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.17 0.34 0.18 1.61 -7.23 -1.25 -4.60 120.40 107.28 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 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 1s5u s VAL 22 CO 0.00 0.00 1.33 -0.69 -0.31 0.00 0.00 175.10 175.43 1s5u s VAL 23 N -3.39 3.20 0.26 1.32 1.01 -0.62 -1.21 120.40 120.97 1s5u s VAL 23 Ca 0.32 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 1s5u s VAL 23 Cb 0.03 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1s5u s VAL 23 CO 0.19 0.13 1.46 -0.47 0.00 0.00 0.00 175.10 176.41 1s5u s TYR 24 N 0.32 2.98 0.53 5.22 5.04 -0.05 -4.83 117.35 126.55 1s5u s TYR 24 Ca 0.59 1.00 0.23 0.00 -2.44 0.00 0.00 57.07 56.45 1s5u s TYR 24 Cb -0.37 -3.85 1.37 0.00 0.35 0.00 0.00 41.96 39.46 1s5u s TYR 24 CO 0.37 -2.78 2.03 1.12 -1.34 0.00 0.00 175.55 174.95 1s5u h HIS 25 N 4.94 0.00 0.00 4.97 2.07 -1.93 -0.03 115.15 125.17 1s5u h HIS 25 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1s5u h HIS 25 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1s5u h HIS 25 CO 0.60 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.46 1s5u h ALA 26 N 1.80 1.00 -0.47 6.11 0.00 -1.96 -3.11 119.26 122.63 1s5u h ALA 26 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1s5u h ALA 26 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1s5u h ALA 26 CO -0.00 0.00 -0.09 0.77 0.00 0.00 0.00 179.25 179.92 1s5u h SER 27 N 0.00 0.83 -0.80 0.00 0.02 -1.30 -2.48 113.55 109.82 1s5u h SER 27 Ca 0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1s5u h SER 27 Cb 0.80 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 1s5u h SER 27 CO 0.00 0.95 0.47 1.88 -1.14 0.00 0.00 176.83 179.00 1s5u h TYR 28 N 0.76 1.07 -0.81 3.45 0.05 -1.59 -1.29 116.97 118.61 1s5u h TYR 28 Ca 0.13 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.94 1s5u h TYR 28 Cb 0.59 -0.35 -0.05 0.00 1.01 0.00 0.00 36.73 37.94 1s5u h TYR 28 CO 0.03 0.72 0.51 0.28 -1.05 0.00 0.00 178.16 178.66 1s5u h VAL 29 N 1.11 1.12 -0.52 -2.88 2.07 -1.53 0.08 116.25 115.71 1s5u h VAL 29 Ca 0.29 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1s5u h VAL 29 Cb -0.03 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1s5u h VAL 29 CO -0.05 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 1s5u h ALA 30 N 1.34 0.86 -0.75 1.67 0.00 -1.14 -2.46 119.26 118.78 1s5u h ALA 30 Ca 0.32 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1s5u h ALA 30 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1s5u h ALA 30 CO -0.12 0.65 0.48 0.74 0.00 0.00 0.00 179.25 181.01 1s5u h PHE 31 N 0.85 0.91 -0.87 0.00 0.04 -0.27 -1.23 116.94 116.37 1s5u h PHE 31 Ca 0.14 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1s5u h PHE 31 Cb 0.63 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1s5u h PHE 31 CO 0.04 0.54 0.49 1.88 -0.60 0.00 0.00 178.31 180.66 1s5u h TYR 32 N 0.96 1.18 -0.52 -0.55 0.05 -0.75 -1.84 116.97 115.49 1s5u h TYR 32 Ca 0.29 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 1s5u h TYR 32 Cb -0.03 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.31 1s5u h TYR 32 CO -0.03 0.81 0.21 1.49 -1.05 0.00 0.00 178.16 179.59 1s5u h GLU 33 N 1.21 0.78 -0.51 4.88 4.22 -0.92 -1.86 114.58 122.37 1s5u h GLU 33 Ca 0.31 -0.14 0.04 0.00 0.08 0.00 0.00 59.36 59.65 1s5u h GLU 33 Cb 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1s5u h GLU 33 CO -0.05 0.68 0.26 0.00 -2.18 0.00 0.00 179.01 177.72 1s5u h ARG 34 N 0.71 0.49 -0.90 1.92 3.08 -0.82 -1.01 114.38 117.84 1s5u h ARG 34 Ca 0.17 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1s5u h ARG 34 Cb 0.19 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1s5u h ARG 34 CO -0.02 0.33 0.49 0.00 -1.07 0.00 0.00 179.97 179.70 1s5u h ALA 35 N 1.27 1.16 -0.60 0.04 0.00 -1.06 0.51 119.26 120.58 1s5u h ALA 35 Ca 0.22 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1s5u h ALA 35 Cb 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1s5u h ALA 35 CO -0.15 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.80 1s5u h ARG 36 N 1.26 1.03 -0.61 0.00 3.08 -0.80 0.51 114.38 118.86 1s5u h ARG 36 Ca 0.32 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1s5u h ARG 36 Cb 0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1s5u h ARG 36 CO -0.05 0.99 0.29 1.15 -1.07 0.00 0.00 179.97 181.28 1s5u h THR 37 N 0.93 1.22 -0.06 2.04 2.02 -0.67 -1.89 112.91 116.50 1s5u h THR 37 Ca 0.17 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 1s5u h THR 37 Cb 0.50 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1s5u h THR 37 CO 0.02 0.25 -0.56 -0.33 0.37 0.00 0.00 175.52 175.28 1s5u h GLU 38 N 0.84 0.19 -0.57 6.66 4.39 -0.65 -1.21 114.58 124.23 1s5u h GLU 38 Ca 0.21 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1s5u h GLU 38 Cb 0.14 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1s5u h GLU 38 CO -0.02 0.70 -0.08 0.00 -1.16 0.00 0.00 179.01 178.44 1s5u h MET 39 N 0.14 1.05 -0.45 2.33 -0.00 -0.67 0.25 114.93 117.59 1s5u h MET 39 Ca -0.00 -0.38 -0.11 0.00 -0.00 0.00 0.00 59.70 59.21 1s5u h MET 39 Cb 1.03 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.54 1s5u h MET 39 CO 0.08 1.07 -0.15 -0.07 -0.00 0.00 0.00 176.91 177.85 1s5u h LEU 40 N 0.94 0.86 -0.68 -0.10 3.38 -1.17 -1.97 115.31 116.58 1s5u h LEU 40 Ca 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1s5u h LEU 40 Cb 0.65 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1s5u h LEU 40 CO 0.04 1.01 0.29 -0.09 0.09 0.00 0.00 178.44 179.78 1s5u h ARG 41 N 0.76 1.00 -0.72 1.13 2.43 -0.80 0.25 114.38 118.43 1s5u h ARG 41 Ca 0.12 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1s5u h ARG 41 Cb 0.67 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1s5u h ARG 41 CO 0.05 0.82 0.47 1.25 -1.51 0.00 0.00 179.97 181.05 1s5u h HIS 42 N 0.95 0.87 -0.44 2.20 2.76 -0.69 -1.72 115.15 119.09 1s5u h HIS 42 Ca 0.23 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.28 1s5u h HIS 42 Cb 0.18 -0.29 -0.08 0.00 1.55 0.00 0.00 27.41 28.76 1s5u h HIS 42 CO 0.01 0.53 0.18 0.72 -1.30 0.00 0.00 177.93 178.06 1s5u n HIS 43 N -4.44 1.44 -2.61 5.26 8.25 -0.75 -4.88 115.22 117.48 1s5u n HIS 43 Ca 0.08 -0.81 -0.10 0.00 -0.26 0.00 0.00 57.72 56.63 1s5u n HIS 43 Cb 0.08 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.02 -0.92 -3.22 4.41 -0.00 -0.64 -4.99 115.22 109.84 1s5u n HIS 44 Ca 0.24 0.24 -0.24 0.00 -0.00 0.00 0.00 57.72 57.96 1s5u n HIS 44 Cb 0.96 -2.64 -0.07 0.00 -0.00 0.00 0.00 29.99 28.25 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 -3.83 0.32 -0.97 4.41 3.72 0.81 -4.98 117.46 116.95 1s5u n PHE 45 Ca -0.05 -3.67 -0.29 0.00 -0.05 0.00 0.00 57.45 53.38 1s5u n PHE 45 Cb 0.56 -0.39 0.22 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.50 1.54 0.23 4.37 1.04 -1.26 -3.65 113.70 114.47 1s5u s SER 46 Ca 0.36 1.07 -0.07 0.00 0.48 0.00 0.00 55.95 57.79 1s5u s SER 46 Cb 0.18 -1.64 0.20 0.00 0.10 0.00 0.00 66.02 64.87 1s5u s SER 46 CO -0.09 -3.79 1.85 1.56 0.98 0.00 0.00 173.24 173.75 1s5u h GLN 47 N -2.35 1.22 -0.29 4.02 1.08 -1.97 -1.21 115.11 115.61 1s5u h GLN 47 Ca -0.53 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 56.49 1s5u h GLN 47 Cb 1.33 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 1s5u h GLN 47 CO 0.49 0.89 0.02 -0.56 -0.95 0.00 0.00 178.83 178.72 1s5u h GLN 48 N 1.22 0.43 -0.33 1.46 3.07 -1.99 -0.24 115.11 118.74 1s5u h GLN 48 Ca 0.31 -0.08 -0.12 0.00 0.09 0.00 0.00 58.65 58.85 1s5u h GLN 48 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 1s5u h GLN 48 CO -0.05 0.45 -0.27 0.00 0.09 0.00 0.00 178.83 179.05 1s5u h ALA 49 N 1.61 0.47 -0.55 0.06 0.00 -1.65 -2.38 119.26 116.82 1s5u h ALA 49 Ca 0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1s5u h ALA 49 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1s5u h ALA 49 CO 0.00 0.48 0.10 -0.07 0.00 0.00 0.00 179.25 179.76 1s5u h LEU 50 N 0.53 0.87 -0.89 0.00 3.38 -0.68 -2.60 115.31 115.93 1s5u h LEU 50 Ca 0.06 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1s5u h LEU 50 Cb 0.84 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1s5u h LEU 50 CO 0.07 0.91 0.58 0.24 0.09 0.00 0.00 178.44 180.33 1s5u h MET 51 N 0.80 1.13 -0.21 1.13 2.86 -1.00 -0.60 114.93 119.04 1s5u h MET 51 Ca 0.17 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1s5u h MET 51 Cb 0.40 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1s5u h MET 51 CO 0.01 0.75 0.09 0.00 1.06 0.00 0.00 176.91 178.82 1s5u h ALA 52 N 1.34 1.77 -0.01 6.32 0.00 -1.15 0.24 119.26 127.79 1s5u h ALA 52 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1s5u h ALA 52 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1s5u h ALA 52 CO -0.09 0.19 -0.00 0.39 0.00 0.00 0.00 179.25 179.74 1s5u n GLU 53 N -4.46 1.25 -3.64 0.00 -0.58 -0.31 -4.91 120.64 107.98 1s5u n GLU 53 Ca 0.00 -0.36 -0.21 0.00 -0.42 0.00 0.00 57.16 56.17 1s5u n GLU 53 Cb 0.11 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.54 1s5u n GLU 53 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1s5u n ARG 54 N -0.56 -5.66 -4.26 3.49 1.74 0.85 -4.99 116.66 107.27 1s5u n ARG 54 Ca 0.22 0.70 -0.18 0.00 -0.77 0.00 0.00 57.85 57.82 1s5u n ARG 54 Cb 0.20 -5.45 -0.13 0.00 -1.02 0.00 0.00 32.46 26.06 1s5u n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s5u s VAL 55 N -3.52 0.88 0.04 1.55 0.11 -0.73 -4.44 120.40 114.30 1s5u s VAL 55 Ca 0.11 -0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 58.24 1s5u s VAL 55 Cb -0.05 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1s5u s VAL 55 CO 0.79 -0.07 -0.01 0.00 -3.33 0.00 0.00 175.10 172.48 1s5u s ALA 56 N -0.86 0.31 -0.04 1.54 0.00 -0.21 -4.20 121.76 118.30 1s5u s ALA 56 Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1s5u s ALA 56 Cb -0.07 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1s5u s ALA 56 CO 0.01 -0.31 -0.23 -0.06 0.00 0.00 0.00 175.76 175.17 1s5u s PHE 57 N -3.08 2.19 0.00 0.00 0.08 -1.26 -0.67 117.98 115.25 1s5u s PHE 57 Ca -0.01 -0.56 0.05 0.00 0.12 0.00 0.00 56.93 56.52 1s5u s PHE 57 Cb 0.02 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1s5u s PHE 57 CO -0.07 -0.14 -0.14 0.14 -0.10 0.00 0.00 175.22 174.91 1s5u s VAL 58 N -0.28 1.13 -0.10 -0.44 -7.23 -0.56 -4.96 120.40 107.97 1s5u s VAL 58 Ca 0.01 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 1s5u s VAL 58 Cb -0.12 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1s5u s VAL 58 CO 0.02 0.23 1.23 -0.69 -0.31 0.00 0.00 175.10 175.57 1s5u s VAL 59 N -0.49 4.26 -0.17 1.32 1.01 -1.26 -0.86 120.40 124.21 1s5u s VAL 59 Ca 0.04 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.59 1s5u s VAL 59 Cb -0.06 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.09 1s5u s VAL 59 CO 0.00 -0.06 0.15 -1.14 0.00 0.00 0.00 175.10 174.05 1s5u n ARG 60 N 5.81 0.70 -3.70 2.72 3.00 0.66 -4.93 116.66 120.91 1s5u n ARG 60 Ca 0.12 0.20 -0.13 0.00 -0.00 0.00 0.00 57.85 58.04 1s5u n ARG 60 Cb 0.46 -1.63 -0.09 0.00 0.00 0.00 0.00 32.46 31.19 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 -2.54 0.58 -0.10 -0.14 2.20 -1.09 -5.00 119.74 113.64 1s5u s LYS 61 Ca -0.24 0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 56.03 1s5u s LYS 61 Cb 0.08 0.27 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1s5u s LYS 61 CO 0.72 -0.07 0.23 1.41 -0.36 0.00 0.00 175.35 177.27 1s5u s MET 62 N 0.34 0.19 -0.11 4.03 1.75 -1.26 -0.47 119.30 123.77 1s5u s MET 62 Ca -0.01 0.51 0.03 0.00 -1.25 0.00 0.00 55.69 54.98 1s5u s MET 62 Cb -0.04 -0.13 0.01 0.00 2.84 0.00 0.00 34.83 37.51 1s5u s MET 62 CO -0.00 -0.17 -0.20 0.99 -0.65 0.00 0.00 175.02 174.99 1s5u s THR 63 N 1.29 1.79 -0.05 10.11 2.01 -0.82 -5.00 115.64 124.98 1s5u s THR 63 Ca -0.09 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1s5u s THR 63 Cb -0.11 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 1s5u s THR 63 CO -0.08 0.50 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.48 1s5u s VAL 64 N 0.67 1.46 -0.12 3.82 1.01 -1.26 -1.67 120.40 124.32 1s5u s VAL 64 Ca -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1s5u s VAL 64 Cb -0.16 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1s5u s VAL 64 CO 0.03 0.42 -0.16 -1.61 0.00 0.00 0.00 175.10 173.78 1s5u s GLU 65 N 0.08 3.28 -0.21 2.72 2.02 -0.26 -4.98 118.70 121.35 1s5u s GLU 65 Ca -0.05 -0.74 -0.06 0.00 0.02 0.00 0.00 54.97 54.14 1s5u s GLU 65 Cb -0.12 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1s5u s GLU 65 CO 0.03 0.21 0.03 0.71 0.02 0.00 0.00 175.26 176.26 1s5u s TYR 66 N 0.33 3.08 -0.13 1.61 2.02 -1.26 -1.55 117.35 121.44 1s5u s TYR 66 Ca -0.13 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1s5u s TYR 66 Cb -0.16 -2.13 -0.06 0.00 -0.40 0.00 0.00 41.96 39.20 1s5u s TYR 66 CO 0.07 -0.24 -0.14 0.66 -1.57 0.00 0.00 175.55 174.33 1s5u n TYR 67 N 4.39 0.00 -3.97 2.71 4.01 0.96 -4.99 117.16 120.27 1s5u n TYR 67 Ca -0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.48 1s5u n TYR 67 Cb 0.52 -0.46 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 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 -2.24 0.08 0.53 -0.72 0.00 -0.56 -5.03 121.76 113.82 1s5u s ALA 68 Ca -0.17 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1s5u s ALA 68 Cb 0.06 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 1s5u s ALA 68 CO 0.25 -0.25 0.80 -1.25 0.00 0.00 0.00 175.76 175.31 1s5u s PRO 69 N -2.25 3.06 0.13 0.00 0.04 -1.26 -4.54 135.00 130.18 1s5u s PRO 69 Ca -0.08 -0.15 0.09 0.00 0.04 0.00 0.00 61.00 60.90 1s5u s PRO 69 Cb -0.04 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1s5u s PRO 69 CO -0.03 -0.48 -0.14 0.00 0.04 0.00 0.00 177.00 176.38 1s5u s ALA 70 N -2.80 2.80 0.37 8.56 0.00 -1.26 -5.01 121.76 124.42 1s5u s ALA 70 Ca 0.51 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1s5u s ALA 70 Cb -0.10 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 1s5u s ALA 70 CO 0.43 0.57 0.05 1.03 0.00 0.00 0.00 175.76 177.84 1s5u s ARG 71 N -2.35 1.81 0.09 0.00 0.52 -1.26 -1.59 118.95 116.17 1s5u s ARG 71 Ca 0.21 -2.04 -0.37 0.00 -0.52 0.00 0.00 55.73 53.01 1s5u s ARG 71 Cb -0.10 -1.04 -0.17 0.00 0.52 0.00 0.00 34.95 34.16 1s5u s ARG 71 CO 0.12 -0.22 1.33 -0.11 0.02 0.00 0.00 175.30 176.44 1s5u n LEU 72 N -0.83 1.64 0.00 2.53 7.94 -1.26 -1.81 117.00 125.20 1s5u n LEU 72 Ca -0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1s5u n LEU 72 Cb 0.66 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1s5u n LEU 72 CO 0.42 -1.06 0.00 -0.67 -1.11 0.00 0.00 177.39 174.98 1s5u n ASP 73 N 2.50 -1.40 -4.77 1.96 2.03 -0.23 -5.00 116.55 111.64 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 0.19 -0.87 -0.02 0.00 -0.72 0.00 0.00 41.12 39.71 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 -2.47 6.43 -0.30 1.67 1.01 -0.75 -4.70 116.67 117.56 1s5u s ASP 74 Ca 0.00 2.34 -0.11 0.00 0.71 0.00 0.00 52.55 55.49 1s5u s ASP 74 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1s5u s ASP 74 CO 0.00 -0.74 0.19 -0.32 0.21 0.00 0.00 175.17 174.51 1s5u s MET 75 N -2.40 3.64 0.39 8.23 -2.45 -1.26 -1.65 119.30 123.80 1s5u s MET 75 Ca 0.59 -0.53 0.08 0.00 -1.25 0.00 0.00 55.69 54.58 1s5u s MET 75 Cb -0.30 -3.66 -0.01 0.00 1.25 0.00 0.00 34.83 32.11 1s5u s MET 75 CO 0.38 -0.32 0.42 -0.51 1.05 0.00 0.00 175.02 176.04 1s5u s LEU 76 N 1.70 3.58 -0.09 4.11 1.43 0.51 -3.28 118.68 126.63 1s5u s LEU 76 Ca 0.06 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1s5u s LEU 76 Cb -0.17 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1s5u s LEU 76 CO 0.09 -0.58 -0.08 -0.70 0.23 0.00 0.00 176.35 175.31 1s5u s GLU 77 N -4.16 1.47 -0.17 1.70 2.12 -0.12 -1.41 118.70 118.12 1s5u s GLU 77 Ca 0.48 -0.26 -0.14 0.00 0.36 0.00 0.00 54.97 55.41 1s5u s GLU 77 Cb -0.06 -1.45 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 1s5u s GLU 77 CO 0.29 -0.18 0.29 0.42 -0.54 0.00 0.00 175.26 175.55 1s5u s ILE 78 N 1.40 5.30 -0.12 -3.70 -1.09 0.87 -1.51 121.20 122.34 1s5u s ILE 78 Ca -0.01 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 58.92 1s5u s ILE 78 Cb -0.13 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1s5u s ILE 78 CO -0.04 0.37 -0.04 -1.10 -1.23 0.00 0.00 174.94 172.89 1s5u s GLN 79 N 0.59 3.35 0.01 2.79 -0.21 0.70 -0.76 119.66 126.13 1s5u s GLN 79 Ca 0.16 -0.52 0.02 0.00 0.02 0.00 0.00 55.36 55.04 1s5u s GLN 79 Cb -0.13 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 1s5u s GLN 79 CO 0.04 0.40 -0.05 0.99 -2.12 0.00 0.00 175.29 174.55 1s5u s THR 80 N -0.09 0.41 -0.08 -0.19 2.01 0.51 -1.66 115.64 116.55 1s5u s THR 80 Ca 0.02 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.29 1s5u s THR 80 Cb -0.13 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.04 1s5u s THR 80 CO 0.03 -0.06 0.57 -1.83 -0.69 0.00 0.00 174.62 172.63 1s5u s GLU 81 N -0.59 0.87 -0.28 4.92 -1.05 -0.87 -0.33 118.70 121.37 1s5u s GLU 81 Ca -0.02 0.29 -0.18 0.00 -0.15 0.00 0.00 54.97 54.91 1s5u s GLU 81 Cb -0.05 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 1s5u s GLU 81 CO -0.00 -0.23 0.53 0.42 0.95 0.00 0.00 175.26 176.92 1s5u s ILE 82 N -0.85 5.05 -1.45 1.83 1.01 -1.26 -0.73 121.20 124.80 1s5u s ILE 82 Ca -0.09 0.79 0.18 0.00 0.00 0.00 0.00 60.65 61.53 1s5u s ILE 82 Cb -0.02 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1s5u s ILE 82 CO 0.06 0.01 0.87 0.35 0.00 0.00 0.00 174.94 176.24 1s5u n THR 83 N 5.23 0.00 -3.68 2.92 -2.24 0.12 -4.78 114.28 111.86 1s5u n THR 83 Ca -0.04 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1s5u n THR 83 Cb 0.50 1.17 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 1s5u n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1s5u s SER 84 N -2.15 -0.62 -0.29 3.42 0.01 -1.20 -4.96 113.70 107.90 1s5u s SER 84 Ca 0.13 1.16 -0.02 0.00 1.31 0.00 0.00 55.95 58.53 1s5u s SER 84 Cb 0.14 1.15 0.12 0.00 0.21 0.00 0.00 66.02 67.64 1s5u s SER 84 CO 0.50 -0.20 0.20 -0.32 0.41 0.00 0.00 173.24 173.83 1s5u s MET 85 N 0.52 0.25 0.00 12.44 1.75 -1.26 -0.48 119.30 132.52 1s5u s MET 85 Ca -0.02 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 1s5u s MET 85 Cb -0.04 -0.94 0.00 0.00 2.84 0.00 0.00 34.83 36.69 1s5u s MET 85 CO -0.02 -1.03 0.00 -2.13 -0.65 0.00 0.00 175.02 171.19 1s5u n ARG 86 N 5.26 3.27 0.50 4.11 0.63 0.12 -5.01 116.66 125.54 1s5u n ARG 86 Ca -0.04 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 1s5u n ARG 86 Cb 0.44 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.25 1s5u n ARG 86 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1s5u h GLY 87 N 0.00 -1.33 -0.21 5.14 0.00 -2.00 -3.36 103.07 101.30 1s5u h GLY 87 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1s5u h GLY 87 CO 0.00 -0.48 0.00 -1.30 0.00 0.00 0.00 176.54 174.76 1s5u n THR 88 N -5.43 0.93 -4.25 4.70 -2.24 -1.26 -1.01 114.28 105.72 1s5u n THR 88 Ca -0.16 -0.97 -0.17 0.00 -2.27 0.00 0.00 64.05 60.49 1s5u n THR 88 Cb 0.50 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1s5u n THR 88 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1s5u s SER 89 N -0.94 1.93 0.01 3.42 0.01 -1.26 -0.64 113.70 116.23 1s5u s SER 89 Ca 0.04 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.44 1s5u s SER 89 Cb 0.02 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 1s5u s SER 89 CO 0.03 -0.21 -0.08 -0.76 0.41 0.00 0.00 173.24 172.63 1s5u s LEU 90 N -2.73 2.10 -0.17 2.44 1.43 0.11 -0.70 118.68 121.15 1s5u s LEU 90 Ca 0.12 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1s5u s LEU 90 Cb -0.02 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.88 1s5u s LEU 90 CO 0.02 -0.00 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 1s5u s VAL 91 N -0.56 2.69 -0.16 -1.59 1.01 0.37 -0.51 120.40 121.64 1s5u s VAL 91 Ca -0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1s5u s VAL 91 Cb -0.05 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1s5u s VAL 91 CO 0.00 0.50 0.03 -0.36 0.00 0.00 0.00 175.10 175.27 1s5u s PHE 92 N 1.04 3.19 -0.22 5.22 0.08 0.23 -0.70 117.98 126.81 1s5u s PHE 92 Ca -0.01 0.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 1s5u s PHE 92 Cb -0.15 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1s5u s PHE 92 CO -0.03 0.16 0.01 0.99 -0.10 0.00 0.00 175.22 176.24 1s5u s THR 93 N 0.17 3.86 0.14 0.64 2.01 0.09 -0.60 115.64 121.95 1s5u s THR 93 Ca 0.03 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1s5u s THR 93 Cb -0.13 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1s5u s THR 93 CO 0.01 0.40 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.16 1s5u s GLN 94 N 1.36 1.01 0.06 4.92 -0.21 -0.06 -2.06 119.66 124.68 1s5u s GLN 94 Ca 0.04 -1.43 -0.21 0.00 0.02 0.00 0.00 55.36 53.79 1s5u s GLN 94 Cb -0.15 -0.48 0.05 0.00 1.00 0.00 0.00 33.01 33.43 1s5u s GLN 94 CO 0.01 0.03 0.49 -0.98 -2.12 0.00 0.00 175.29 172.71 1s5u s ARG 95 N -3.79 1.03 -0.09 2.91 1.70 -0.66 -0.28 118.95 119.77 1s5u s ARG 95 Ca 0.16 -0.33 0.03 0.00 -0.47 0.00 0.00 55.73 55.13 1s5u s ARG 95 Cb 0.04 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1s5u s ARG 95 CO -0.01 -0.38 -0.21 0.42 -1.08 0.00 0.00 175.30 174.05 1s5u s ILE 96 N -2.68 1.84 0.24 4.99 1.01 -0.13 -0.21 121.20 126.25 1s5u s ILE 96 Ca -0.04 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.78 1s5u s ILE 96 Cb -0.00 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1s5u s ILE 96 CO -0.04 0.51 -0.05 0.68 0.00 0.00 0.00 174.94 176.05 1s5u s VAL 97 N 0.46 1.36 0.11 2.92 -7.23 -0.57 -0.84 120.40 116.61 1s5u s VAL 97 Ca -0.17 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 57.93 1s5u s VAL 97 Cb -0.17 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1s5u s VAL 97 CO 0.07 -0.37 0.14 -0.46 -0.31 0.00 0.00 175.10 174.17 1s5u n ASN 98 N -0.47 0.62 0.15 4.85 0.23 -1.00 -0.95 115.26 118.70 1s5u n ASN 98 Ca -0.06 -1.31 0.10 0.00 -0.53 0.00 0.00 54.58 52.78 1s5u n ASN 98 Cb 0.63 -0.07 0.54 0.00 -2.08 0.00 0.00 39.78 38.80 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 -2.85 1.10 0.72 -2.53 0.00 -1.21 -0.93 120.51 114.81 1s5u n ALA 99 Ca -0.03 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.68 1s5u n ALA 99 Cb 0.12 -1.30 0.09 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.20 1.72 -1.22 0.00 4.71 -1.26 -4.96 120.64 117.44 1s5u n GLU 100 Ca -0.01 -1.69 -0.05 0.00 -0.01 0.00 0.00 57.16 55.40 1s5u n GLU 100 Cb 0.05 -1.37 -0.02 0.00 -1.01 0.00 0.00 31.44 29.09 1s5u n GLU 100 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1s5u n ASN 101 N 1.08 -3.42 -4.74 1.62 5.15 -0.10 -5.02 115.26 109.83 1s5u n ASN 101 Ca 0.12 0.10 -0.41 0.00 -0.60 0.00 0.00 54.58 53.79 1s5u n ASN 101 Cb 0.48 -1.46 -0.03 0.00 -0.53 0.00 0.00 39.78 38.24 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 -2.18 3.35 -0.31 -0.44 2.01 -1.26 -4.76 115.64 112.05 1s5u s THR 102 Ca 0.00 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 1s5u s THR 102 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1s5u s THR 102 CO 0.00 0.18 1.10 -0.22 -0.69 0.00 0.00 174.62 174.99 1s5u s LEU 103 N -0.28 3.94 -0.16 4.42 2.96 -1.26 -2.37 118.68 125.93 1s5u s LEU 103 Ca 0.54 1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 55.40 1s5u s LEU 103 Cb -0.35 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.57 1s5u s LEU 103 CO 0.38 -0.88 0.31 -0.07 -1.32 0.00 0.00 176.35 174.77 1s5u h LEU 104 N 10.11 0.20 -7.42 -0.68 3.38 -1.22 -3.36 115.31 116.32 1s5u h LEU 104 Ca -0.21 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.15 1s5u h LEU 104 Cb 1.06 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 1s5u h LEU 104 CO 1.03 1.64 0.39 0.54 0.09 0.00 0.00 178.44 182.13 1s5u s ASN 105 N -6.94 -0.32 0.04 -0.43 2.20 -1.17 -0.02 114.94 108.29 1s5u s ASN 105 Ca -0.25 -0.25 -0.02 0.00 -0.94 0.00 0.00 52.86 51.39 1s5u s ASN 105 Cb 0.06 0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 39.81 1s5u s ASN 105 CO 0.68 -0.92 0.01 -1.83 -2.94 0.00 0.00 177.10 172.11 1s5u s GLU 106 N -3.44 0.50 0.04 3.55 -1.05 -0.60 -0.96 118.70 116.74 1s5u s GLU 106 Ca 0.08 -0.84 -0.06 0.00 -0.15 0.00 0.00 54.97 54.00 1s5u s GLU 106 Cb -0.02 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 1s5u s GLU 106 CO -0.03 -0.10 0.10 0.00 0.95 0.00 0.00 175.26 176.18 1s5u s ALA 107 N -2.60 -0.09 -0.12 -0.84 0.00 0.62 -1.11 121.76 117.61 1s5u s ALA 107 Ca -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1s5u s ALA 107 Cb -0.01 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1s5u s ALA 107 CO -0.05 -0.31 -0.13 -2.00 0.00 0.00 0.00 175.76 173.27 1s5u s GLU 108 N -2.53 2.08 -0.16 0.00 2.12 -0.67 -0.88 118.70 118.67 1s5u s GLU 108 Ca -0.06 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1s5u s GLU 108 Cb -0.02 -1.89 0.03 0.00 0.26 0.00 0.00 34.13 32.50 1s5u s GLU 108 CO -0.04 -0.18 -0.15 0.08 -0.54 0.00 0.00 175.26 174.44 1s5u s VAL 109 N 1.33 1.69 -0.26 3.70 1.01 0.23 -1.94 120.40 126.17 1s5u s VAL 109 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1s5u s VAL 109 Cb -0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1s5u s VAL 109 CO -0.07 0.43 0.50 -0.22 0.00 0.00 0.00 175.10 175.74 1s5u s LEU 110 N 1.43 4.05 -0.06 3.92 2.96 0.38 -0.60 118.68 130.76 1s5u s LEU 110 Ca 0.04 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1s5u s LEU 110 Cb -0.13 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 1s5u s LEU 110 CO -0.11 -0.27 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.76 1s5u s VAL 111 N 2.26 2.53 -0.06 1.68 1.01 0.33 -0.25 120.40 127.90 1s5u s VAL 111 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1s5u s VAL 111 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1s5u s VAL 111 CO 0.09 0.57 -0.08 -0.69 0.00 0.00 0.00 175.10 174.99 1s5u s VAL 112 N -0.39 3.57 0.03 2.92 1.01 -0.04 -0.71 120.40 126.80 1s5u s VAL 112 Ca 0.03 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 1s5u s VAL 112 Cb -0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1s5u s VAL 112 CO 0.02 0.59 0.81 0.00 0.00 0.00 0.00 175.10 176.52 1s5u s VAL 114 N 0.19 0.05 -0.13 0.00 -7.23 0.15 -0.54 120.40 112.90 1s5u s VAL 114 Ca 0.41 -1.94 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 1s5u s VAL 114 Cb -0.21 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1s5u s VAL 114 CO 0.24 -0.22 0.45 -0.62 -0.31 0.00 0.00 175.10 174.64 1s5u s ASP 115 N -3.10 6.65 0.33 4.85 -1.08 -0.86 -1.04 116.67 122.41 1s5u s ASP 115 Ca 0.32 0.77 0.11 0.00 -0.52 0.00 0.00 52.55 53.23 1s5u s ASP 115 Cb 0.07 -2.27 0.97 0.00 -1.46 0.00 0.00 42.92 40.23 1s5u s ASP 115 CO 0.07 0.01 1.69 -0.65 0.52 0.00 0.00 175.17 176.81 1s5u h PRO 116 N 6.73 0.41 0.00 4.34 0.11 -1.87 0.86 132.00 142.58 1s5u h PRO 116 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1s5u h PRO 116 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s5u h PRO 116 CO 0.76 0.27 0.00 -0.11 -0.21 0.00 0.00 178.00 178.71 1s5u n LEU 117 N -4.99 0.04 -0.06 2.35 -0.00 -1.26 -4.03 117.00 109.04 1s5u n LEU 117 Ca 0.29 0.88 0.12 0.00 -0.00 0.00 0.00 56.01 57.31 1s5u n LEU 117 Cb 0.85 -0.43 0.32 0.00 -0.00 0.00 0.00 43.42 44.17 1s5u n LEU 117 CO 0.12 -0.43 0.55 0.29 -0.00 0.00 0.00 177.39 177.93 1s5u n LYS 118 N -1.78 0.22 -3.82 1.96 4.01 -1.19 -4.95 118.16 112.62 1s5u n LYS 118 Ca 0.00 -0.12 -0.27 0.00 -0.51 0.00 0.00 58.31 57.40 1s5u n LYS 118 Cb 0.00 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.06 1s5u n LYS 118 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1s5u n MET 119 N -1.28 -5.86 -4.33 1.97 2.81 0.30 -4.96 117.12 105.77 1s5u n MET 119 Ca 0.08 0.64 -0.35 0.00 -1.81 0.00 0.00 57.70 56.26 1s5u n MET 119 Cb 0.34 -5.51 -0.09 0.00 -0.71 0.00 0.00 33.22 27.24 1s5u n MET 119 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1s5u s LYS 120 N -6.44 3.02 0.25 0.03 2.20 -1.25 -4.78 119.74 112.77 1s5u s LYS 120 Ca 0.53 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1s5u s LYS 120 Cb -0.26 -2.83 -0.15 0.00 -1.51 0.00 0.00 37.83 33.08 1s5u s LYS 120 CO 0.81 0.71 0.97 -2.30 -0.36 0.00 0.00 175.35 175.18 1s5u n PRO 121 N 2.11 1.11 -3.89 4.03 -0.02 -1.26 -2.03 135.00 135.04 1s5u n PRO 121 Ca -0.19 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 1s5u n PRO 121 Cb 0.54 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.22 0.74 0.49 -0.52 1.70 0.30 -4.85 118.95 115.60 1s5u s ARG 122 Ca 0.63 -0.88 -0.22 0.00 -0.47 0.00 0.00 55.73 54.78 1s5u s ARG 122 Cb -0.77 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 33.84 1s5u s ARG 122 CO 0.58 -0.21 1.21 0.00 -1.08 0.00 0.00 175.30 175.80 1s5u s ALA 123 N -3.36 2.90 0.34 7.88 0.00 -1.26 -4.43 121.76 123.83 1s5u s ALA 123 Ca 0.01 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1s5u s ALA 123 Cb 0.03 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 1s5u s ALA 123 CO -0.08 -0.87 1.43 1.28 0.00 0.00 0.00 175.76 177.52 1s5u n LEU 124 N -0.71 4.17 -4.75 0.00 4.32 -0.18 -4.92 117.00 114.92 1s5u n LEU 124 Ca 0.09 1.20 -0.40 0.00 -0.02 0.00 0.00 56.01 56.88 1s5u n LEU 124 Cb 0.47 -1.56 0.02 0.00 -1.62 0.00 0.00 43.42 40.74 1s5u n LEU 124 CO 0.48 -0.11 1.03 -2.65 -1.22 0.00 0.00 177.39 174.92 1s5u n PRO 125 N 0.87 2.13 -0.33 3.23 -0.02 -1.26 -4.85 135.00 134.78 1s5u n PRO 125 Ca 0.04 0.76 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1s5u n PRO 125 Cb 0.37 -2.58 0.11 0.00 -0.02 0.00 0.00 33.50 31.38 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 2.15 1.10 -0.93 -0.52 1.57 -1.99 -2.04 116.57 115.91 1s5u h LYS 126 Ca -0.50 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.29 1s5u h LYS 126 Cb 1.28 -0.25 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 1s5u h LYS 126 CO 0.60 0.73 0.60 0.66 -0.57 0.00 0.00 179.45 181.48 1s5u h SER 127 N 1.14 0.91 -0.29 0.86 4.64 -1.98 0.24 113.55 119.06 1s5u h SER 127 Ca 0.35 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.57 1s5u h SER 127 Cb -0.03 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1s5u h SER 127 CO -0.10 0.56 -0.23 0.40 -0.87 0.00 0.00 176.83 176.59 1s5u h ILE 128 N 1.02 1.30 -0.26 0.95 2.04 -1.75 -0.82 117.51 119.99 1s5u h ILE 128 Ca 0.41 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1s5u h ILE 128 Cb 0.27 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1s5u h ILE 128 CO -0.17 0.44 -0.16 0.58 0.00 0.00 0.00 178.15 178.84 1s5u h VAL 129 N 0.41 1.24 -0.27 1.67 2.07 -0.79 -2.37 116.25 118.20 1s5u h VAL 129 Ca 0.05 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 1s5u h VAL 129 Cb 0.79 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1s5u h VAL 129 CO 0.06 0.34 -0.34 0.00 0.02 0.00 0.00 177.57 177.65 1s5u h ALA 130 N 1.41 0.89 -0.18 1.67 0.00 -0.36 -2.99 119.26 119.71 1s5u h ALA 130 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1s5u h ALA 130 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1s5u h ALA 130 CO 0.03 0.63 -0.31 1.49 0.00 0.00 0.00 179.25 181.09 1s5u h GLU 131 N 0.51 0.35 -0.02 0.00 4.57 -0.69 -3.51 114.58 115.80 1s5u h GLU 131 Ca 0.05 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1s5u h GLU 131 Cb 0.84 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1s5u h GLU 131 CO 0.07 0.63 0.00 1.19 -1.18 0.00 0.00 179.01 179.72