#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5j s LEU 2 N 0.00 2.87 -0.05 -0.89 2.96 -1.26 -1.09 118.68 121.21 1n5j s LEU 2 Ca 0.00 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1n5j s LEU 2 Cb 0.00 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1n5j s LEU 2 CO 0.00 -0.01 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.14 1n5j s ILE 3 N 1.43 2.02 -0.09 6.68 1.01 -0.03 -0.68 121.20 131.54 1n5j s ILE 3 Ca 0.05 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.68 1n5j s ILE 3 Cb -0.14 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1n5j s ILE 3 CO -0.03 0.56 -0.19 0.00 0.00 0.00 0.00 174.94 175.28 1n5j s ALA 4 N -0.17 2.40 -0.25 9.38 0.00 -0.41 0.12 121.76 132.84 1n5j s ALA 4 Ca -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1n5j s ALA 4 Cb -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1n5j s ALA 4 CO 0.03 0.35 0.13 0.42 0.00 0.00 0.00 175.76 176.70 1n5j s ILE 5 N 0.04 5.01 0.30 0.00 -1.09 0.50 -0.23 121.20 125.74 1n5j s ILE 5 Ca -0.07 0.06 0.10 0.00 -2.23 0.00 0.00 60.65 58.51 1n5j s ILE 5 Cb -0.15 -3.34 -0.06 0.00 -1.58 0.00 0.00 42.46 37.33 1n5j s ILE 5 CO 0.05 0.33 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.35 1n5j s GLU 6 N 1.31 1.70 0.00 2.79 0.41 0.93 -1.15 118.70 124.69 1n5j s GLU 6 Ca 0.06 -1.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.79 1n5j s GLU 6 Cb -0.15 -1.63 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 1n5j s GLU 6 CO 0.06 0.21 0.00 0.41 -0.49 0.00 0.00 175.26 175.44 1n5j n GLY 7 N -0.67 2.98 3.63 -1.39 0.00 -1.26 -1.08 105.19 107.39 1n5j n GLY 7 Ca -0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1n5j n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n5j s VAL 8 N -2.00 1.76 0.20 1.61 -7.23 -1.26 -4.90 120.40 108.57 1n5j s VAL 8 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 1n5j s VAL 8 Cb 0.00 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 1n5j s VAL 8 CO 0.00 0.00 1.46 -1.81 -0.31 0.00 0.00 175.10 174.44 1n5j s ASP 9 N -3.77 6.68 -0.16 4.85 1.01 -1.26 -2.38 116.67 121.64 1n5j s ASP 9 Ca 0.69 2.57 0.00 0.00 0.71 0.00 0.00 52.55 56.52 1n5j s ASP 9 Cb -0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1n5j s ASP 9 CO 0.56 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1n5j n GLY 10 N 2.92 0.52 0.23 0.21 0.00 -1.26 -4.50 105.19 103.30 1n5j n GLY 10 Ca 0.10 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.65 1n5j n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5j h ALA 11 N 0.00 1.00 0.00 4.61 0.00 -1.75 -3.40 119.26 119.72 1n5j h ALA 11 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n5j h ALA 11 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n5j h ALA 11 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1n5j n GLY 12 N 0.65 1.16 0.09 0.00 0.00 -1.26 -4.90 105.19 100.93 1n5j n GLY 12 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1n5j n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5j h LYS 13 N 0.00 0.12 -0.78 1.61 1.57 -1.90 -2.17 116.57 115.02 1n5j h LYS 13 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1n5j h LYS 13 Cb 0.00 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1n5j h LYS 13 CO 0.00 0.08 0.43 -0.09 -0.57 0.00 0.00 179.45 179.30 1n5j h ARG 14 N 0.12 0.72 -0.44 3.15 9.65 -1.98 -0.46 114.38 125.14 1n5j h ARG 14 Ca 0.07 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1n5j h ARG 14 Cb 0.04 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 1n5j h ARG 14 CO -0.07 0.47 -0.02 1.15 2.80 0.00 0.00 179.97 184.31 1n5j h THR 15 N 0.74 1.26 -0.61 0.20 2.02 -1.96 -2.61 112.91 111.96 1n5j h THR 15 Ca 0.37 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 1n5j h THR 15 Cb 0.34 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1n5j h THR 15 CO -0.24 0.37 0.22 0.25 0.37 0.00 0.00 175.52 176.48 1n5j h LEU 16 N 0.62 0.82 -0.88 2.58 5.85 -0.72 -0.87 115.31 122.71 1n5j h LEU 16 Ca 0.12 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1n5j h LEU 16 Cb 0.52 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1n5j h LEU 16 CO 0.03 0.76 0.58 0.58 -0.34 0.00 0.00 178.44 180.04 1n5j h VAL 17 N 0.88 1.20 -0.16 1.05 2.07 -0.87 0.27 116.25 120.69 1n5j h VAL 17 Ca 0.20 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1n5j h VAL 17 Cb 0.21 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1n5j h VAL 17 CO -0.01 0.21 -0.35 -0.33 0.02 0.00 0.00 177.57 177.11 1n5j h GLU 18 N 1.16 0.52 -0.51 1.57 3.07 -1.03 -0.72 114.58 118.65 1n5j h GLU 18 Ca 0.33 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 1n5j h GLU 18 Cb -0.10 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1n5j h GLU 18 CO -0.08 0.96 -0.03 0.87 -1.40 0.00 0.00 179.01 179.32 1n5j h LYS 19 N 0.16 0.88 -0.35 2.33 1.57 -0.96 -1.55 116.57 118.65 1n5j h LYS 19 Ca 0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1n5j h LYS 19 Cb 0.95 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1n5j h LYS 19 CO 0.08 0.90 -0.19 1.25 -0.57 0.00 0.00 179.45 180.92 1n5j h LEU 20 N 0.81 0.77 -0.76 2.94 5.85 -0.45 -1.34 115.31 123.13 1n5j h LEU 20 Ca 0.15 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1n5j h LEU 20 Cb 0.53 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1n5j h LEU 20 CO 0.03 1.01 0.48 0.28 -0.34 0.00 0.00 178.44 179.90 1n5j h SER 21 N 0.53 0.78 -0.80 1.25 0.02 -0.94 -0.86 113.55 113.53 1n5j h SER 21 Ca 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1n5j h SER 21 Cb 0.73 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1n5j h SER 21 CO 0.05 0.53 0.38 1.23 -1.14 0.00 0.00 176.83 177.89 1n5j h GLY 22 N 0.92 1.24 0.92 -3.77 0.00 -1.04 -1.44 103.07 99.91 1n5j h GLY 22 Ca 0.31 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1n5j h GLY 22 CO -0.12 0.59 0.06 0.00 0.00 0.00 0.00 176.54 177.07 1n5j h ALA 23 N 1.20 0.49 -0.65 3.60 0.00 -0.49 -0.64 119.26 122.77 1n5j h ALA 23 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1n5j h ALA 23 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1n5j h ALA 23 CO -0.03 0.20 0.38 0.74 0.00 0.00 0.00 179.25 180.54 1n5j h PHE 24 N 0.46 0.87 -0.30 0.00 0.05 -0.98 -2.20 116.94 114.84 1n5j h PHE 24 Ca 0.11 -0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.81 1n5j h PHE 24 Cb 0.37 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 1n5j h PHE 24 CO 0.03 0.61 -0.16 0.00 -0.18 0.00 0.00 178.31 178.60 1n5j h ARG 25 N 0.89 0.52 0.00 1.51 3.08 -1.08 -1.07 114.38 118.22 1n5j h ARG 25 Ca 0.23 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1n5j h ARG 25 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1n5j h ARG 25 CO -0.04 0.67 -0.08 0.00 -1.07 0.00 0.00 179.97 179.45 1n5j h ALA 26 N 1.36 1.17 -0.36 0.04 0.00 -0.64 -0.83 119.26 119.99 1n5j h ALA 26 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n5j h ALA 26 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1n5j h ALA 26 CO 0.04 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1n5j n ALA 27 N -2.21 2.45 -0.85 0.00 0.00 -0.48 -4.93 120.51 114.50 1n5j n ALA 27 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1n5j n ALA 27 Cb 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1n5j n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5j n GLY 28 N 1.24 0.56 3.88 0.00 0.00 -0.32 -5.05 105.19 105.49 1n5j n GLY 28 Ca 0.16 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1n5j n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5j s ARG 29 N -0.39 3.43 0.15 1.61 0.52 -0.76 -5.00 118.95 118.50 1n5j s ARG 29 Ca 0.00 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 54.76 1n5j s ARG 29 Cb 0.00 -3.17 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 1n5j s ARG 29 CO 0.00 0.77 1.00 -1.54 0.02 0.00 0.00 175.30 175.55 1n5j s SER 30 N -1.08 7.46 0.01 0.23 1.04 -1.26 -3.72 113.70 116.37 1n5j s SER 30 Ca 0.16 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.53 1n5j s SER 30 Cb -0.12 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1n5j s SER 30 CO 0.05 -0.08 -0.15 -0.69 0.98 0.00 0.00 173.24 173.35 1n5j s VAL 31 N -0.22 1.16 0.02 5.02 1.01 -1.26 -1.45 120.40 124.68 1n5j s VAL 31 Ca 0.47 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1n5j s VAL 31 Cb -0.25 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1n5j s VAL 31 CO 0.31 0.23 -0.13 0.00 0.00 0.00 0.00 175.10 175.51 1n5j s ALA 32 N -0.51 1.11 0.05 5.51 0.00 -0.47 -5.00 121.76 122.44 1n5j s ALA 32 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1n5j s ALA 32 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1n5j s ALA 32 CO 0.00 0.23 -0.16 0.95 0.00 0.00 0.00 175.76 176.78 1n5j s THR 33 N -0.63 1.25 -0.03 0.00 -4.23 -1.26 -0.71 115.64 110.03 1n5j s THR 33 Ca 0.03 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1n5j s THR 33 Cb -0.07 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1n5j s THR 33 CO 0.01 0.02 0.05 -0.22 -0.54 0.00 0.00 174.62 173.94 1n5j s LEU 34 N -1.25 1.41 -0.04 4.79 2.96 -0.42 -4.96 118.68 121.16 1n5j s LEU 34 Ca 0.03 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1n5j s LEU 34 Cb -0.08 0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 1n5j s LEU 34 CO 0.02 -0.07 -0.12 0.00 -1.32 0.00 0.00 176.35 174.85 1n5j s ALA 35 N 0.56 2.76 0.00 5.97 0.00 -1.26 -0.65 121.76 129.13 1n5j s ALA 35 Ca -0.04 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 50.99 1n5j s ALA 35 Cb -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1n5j s ALA 35 CO -0.02 0.57 -0.18 -0.06 0.00 0.00 0.00 175.76 176.07 1n5j s PHE 36 N -0.79 2.58 0.52 0.00 0.08 -0.48 -3.71 117.98 116.19 1n5j s PHE 36 Ca 0.12 -0.24 -0.20 0.00 0.12 0.00 0.00 56.93 56.73 1n5j s PHE 36 Cb -0.11 -1.53 -0.06 0.00 -0.57 0.00 0.00 43.02 40.75 1n5j s PHE 36 CO 0.02 0.19 1.13 -2.14 -0.10 0.00 0.00 175.22 174.32 1n5j s PRO 37 N -1.08 3.48 -1.42 0.24 0.02 -1.26 -4.65 135.00 130.34 1n5j s PRO 37 Ca 0.13 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 62.68 1n5j s PRO 37 Cb -0.10 -2.12 0.07 0.00 0.02 0.00 0.00 34.50 32.36 1n5j s PRO 37 CO 0.03 -0.75 2.25 0.54 -0.33 0.00 0.00 177.00 178.74 1n5j n ARG 38 N -1.06 3.38 -1.64 5.54 1.74 -1.24 -4.98 116.66 118.39 1n5j n ARG 38 Ca 0.10 -2.90 -0.44 0.00 -0.77 0.00 0.00 57.85 53.85 1n5j n ARG 38 Cb 0.50 -3.04 -0.01 0.00 -1.02 0.00 0.00 32.46 28.88 1n5j n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n5j n TYR 39 N 4.63 1.77 0.00 -1.55 0.53 -1.26 -1.49 117.16 119.80 1n5j n TYR 39 Ca 0.53 0.62 0.00 0.00 -1.02 0.00 0.00 57.90 58.03 1n5j n TYR 39 Cb 0.34 -2.34 0.00 0.00 -1.03 0.00 0.00 39.34 36.32 1n5j n TYR 39 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n5j n GLY 40 N 1.14 2.74 0.00 2.72 0.00 -1.26 -4.72 105.19 105.81 1n5j n GLY 40 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1n5j n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n5j n GLN 41 N -0.42 0.91 -4.09 1.61 6.02 -0.55 -4.91 117.38 115.94 1n5j n GLN 41 Ca 0.00 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.00 56.65 1n5j n GLN 41 Cb 0.00 -1.37 -0.17 0.00 1.02 0.00 0.00 30.24 29.72 1n5j n GLN 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1n5j s SER 42 N -3.33 2.09 0.20 1.08 0.15 -0.95 -5.01 113.70 107.92 1n5j s SER 42 Ca 0.00 -0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.24 1n5j s SER 42 Cb 0.12 -0.85 0.13 0.00 -1.71 0.00 0.00 66.02 63.72 1n5j s SER 42 CO 0.73 -0.08 1.80 0.58 1.20 0.00 0.00 173.24 177.47 1n5j h VAL 43 N 6.12 1.23 -0.66 4.45 2.07 -1.91 -1.67 116.25 125.88 1n5j h VAL 43 Ca -0.31 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.62 1n5j h VAL 43 Cb 1.15 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1n5j h VAL 43 CO 0.43 0.27 0.37 0.00 0.02 0.00 0.00 177.57 178.67 1n5j h ALA 44 N 1.18 0.87 -0.43 1.67 0.00 -1.95 -0.07 119.26 120.54 1n5j h ALA 44 Ca 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1n5j h ALA 44 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1n5j h ALA 44 CO -0.03 0.07 0.12 0.00 0.00 0.00 0.00 179.25 179.40 1n5j h ALA 45 N 1.33 0.57 -0.36 0.00 0.00 -1.66 -1.30 119.26 117.84 1n5j h ALA 45 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n5j h ALA 45 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n5j h ALA 45 CO -0.17 0.23 0.14 -0.44 0.00 0.00 0.00 179.25 179.02 1n5j h ASP 46 N 0.56 0.50 -0.87 0.00 3.45 -0.88 -1.82 116.42 117.36 1n5j h ASP 46 Ca 0.14 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 1n5j h ASP 46 Cb 0.29 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 38.89 1n5j h ASP 46 CO -0.00 0.53 0.45 0.40 -1.57 0.00 0.00 179.24 179.05 1n5j h ILE 47 N 0.44 1.26 -0.13 0.35 2.04 -0.93 -0.84 117.51 119.70 1n5j h ILE 47 Ca 0.12 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1n5j h ILE 47 Cb 0.19 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1n5j h ILE 47 CO -0.01 0.30 0.01 0.00 0.00 0.00 0.00 178.15 178.45 1n5j h ALA 48 N 1.25 0.12 -0.46 1.87 0.00 -0.92 0.16 119.26 121.26 1n5j h ALA 48 Ca 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1n5j h ALA 48 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1n5j h ALA 48 CO -0.04 -0.44 0.27 0.00 0.00 0.00 0.00 179.25 179.03 1n5j h ALA 49 N 1.10 0.59 -0.82 0.00 0.00 -1.03 -1.50 119.26 117.59 1n5j h ALA 49 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n5j h ALA 49 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1n5j h ALA 49 CO -0.08 0.09 0.50 0.93 0.00 0.00 0.00 179.25 180.69 1n5j h GLU 50 N 0.61 1.11 -0.66 0.00 5.08 -0.78 -2.11 114.58 117.84 1n5j h GLU 50 Ca 0.16 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1n5j h GLU 50 Cb 0.02 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1n5j h GLU 50 CO -0.03 0.77 0.17 0.00 -1.00 0.00 0.00 179.01 178.92 1n5j h ALA 51 N 1.42 0.86 0.00 3.43 0.00 -0.14 -1.36 119.26 123.47 1n5j h ALA 51 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n5j h ALA 51 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1n5j h ALA 51 CO -0.06 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1n5j n LEU 52 N -4.30 0.37 -1.26 0.00 4.77 -0.62 -1.89 117.00 114.07 1n5j n LEU 52 Ca 0.04 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 1n5j n LEU 52 Cb 0.24 -0.55 0.30 0.00 -2.33 0.00 0.00 43.42 41.09 1n5j n LEU 52 CO 0.42 -0.44 0.76 1.41 -1.33 0.00 0.00 177.39 178.21 1n5j n HIS 53 N -1.91 1.20 0.00 -1.77 8.25 -0.82 -1.10 115.22 119.07 1n5j n HIS 53 Ca 0.03 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1n5j n HIS 53 Cb 0.20 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1n5j n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5j n GLY 54 N 0.60 0.59 4.03 -1.41 0.00 -0.79 -5.05 105.19 103.15 1n5j n GLY 54 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 1n5j n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5j s GLU 55 N -0.75 2.21 -1.18 1.61 2.02 -0.58 -4.74 118.70 117.29 1n5j s GLU 55 Ca 0.00 -1.57 -0.01 0.00 0.02 0.00 0.00 54.97 53.41 1n5j s GLU 55 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1n5j s GLU 55 CO 0.00 -0.95 0.99 0.72 0.02 0.00 0.00 175.26 176.05 1n5j n HIS 56 N -2.33 -2.22 0.00 1.61 8.25 -1.26 -4.22 115.22 115.05 1n5j n HIS 56 Ca 0.16 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.54 1n5j n HIS 56 Cb 0.61 -4.98 0.00 0.00 1.12 0.00 0.00 29.99 26.75 1n5j n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5j n GLY 57 N -1.25 2.64 0.69 -1.41 0.00 -1.26 -1.90 105.19 102.69 1n5j n GLY 57 Ca -0.24 0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1n5j n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n5j n ASP 58 N 2.24 1.94 0.11 1.61 5.68 -1.26 -4.48 116.55 122.39 1n5j n ASP 58 Ca 0.00 -2.12 -0.13 0.00 -0.50 0.00 0.00 54.79 52.04 1n5j n ASP 58 Cb 0.00 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 39.60 1n5j n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1n5j h LEU 59 N 1.58 -0.46 -2.55 -2.12 6.46 -1.68 -2.66 115.31 113.88 1n5j h LEU 59 Ca 0.00 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1n5j h LEU 59 Cb 0.61 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1n5j h LEU 59 CO 0.06 -0.25 -0.01 0.00 -0.62 0.00 0.00 178.44 177.62 1n5j h ALA 60 N 0.47 1.10 0.00 1.25 0.00 -1.81 -2.07 119.26 118.20 1n5j h ALA 60 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n5j h ALA 60 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n5j h ALA 60 CO -0.07 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.85 1n5j h SER 61 N 0.00 0.00 -3.60 0.00 4.64 -1.79 -3.42 113.55 109.38 1n5j h SER 61 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1n5j h SER 61 Cb 0.12 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.08 1n5j h SER 61 CO 0.00 0.00 -0.09 -0.55 -0.87 0.00 0.00 176.83 175.32 1n5j s SER 62 N -4.84 6.40 0.12 4.97 0.15 -0.78 -4.96 113.70 114.76 1n5j s SER 62 Ca 0.04 0.48 -0.15 0.00 0.70 0.00 0.00 55.95 57.02 1n5j s SER 62 Cb 0.09 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 1n5j s SER 62 CO 0.47 -0.23 1.57 0.58 1.20 0.00 0.00 173.24 176.83 1n5j h VAL 63 N 5.33 1.26 0.00 4.45 2.07 -1.87 -2.80 116.25 124.69 1n5j h VAL 63 Ca -0.31 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1n5j h VAL 63 Cb 1.15 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1n5j h VAL 63 CO 0.70 0.34 -0.50 1.88 0.02 0.00 0.00 177.57 180.01 1n5j h TYR 64 N 0.52 0.00 -0.20 1.57 -1.99 -1.95 -2.16 116.97 112.76 1n5j h TYR 64 Ca 0.11 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 1n5j h TYR 64 Cb 0.47 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1n5j h TYR 64 CO 0.04 0.50 0.02 0.00 -0.00 0.00 0.00 178.16 178.72 1n5j h ALA 65 N 1.50 0.26 -0.41 3.88 0.00 -1.85 0.30 119.26 122.95 1n5j h ALA 65 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1n5j h ALA 65 Cb 1.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1n5j h ALA 65 CO 0.06 -0.05 0.15 0.52 0.00 0.00 0.00 179.25 179.93 1n5j h MET 66 N 0.12 0.63 -0.90 0.00 2.86 -1.44 -1.62 114.93 114.57 1n5j h MET 66 Ca 0.06 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1n5j h MET 66 Cb 0.33 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1n5j h MET 66 CO 0.01 0.61 0.58 0.00 1.06 0.00 0.00 176.91 179.16 1n5j h ALA 67 N 0.99 1.15 -0.77 6.32 0.00 -1.28 -2.22 119.26 123.46 1n5j h ALA 67 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n5j h ALA 67 Cb 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1n5j h ALA 67 CO -0.01 0.57 0.27 1.15 0.00 0.00 0.00 179.25 181.23 1n5j h THR 68 N 1.23 1.26 -0.62 0.00 2.02 -0.60 -0.58 112.91 115.63 1n5j h THR 68 Ca 0.33 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1n5j h THR 68 Cb -0.11 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1n5j h THR 68 CO -0.07 0.35 0.28 -0.07 0.37 0.00 0.00 175.52 176.38 1n5j h LEU 69 N 1.13 0.83 -0.95 2.58 3.38 -0.85 0.19 115.31 121.62 1n5j h LEU 69 Ca 0.25 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1n5j h LEU 69 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1n5j h LEU 69 CO -0.01 0.74 -0.38 -0.26 0.09 0.00 0.00 178.44 178.62 1n5j h PHE 70 N 0.85 0.34 -0.22 1.13 0.05 -1.14 -1.49 116.94 116.47 1n5j h PHE 70 Ca 0.21 -0.09 -0.18 0.00 3.82 0.00 0.00 57.97 61.73 1n5j h PHE 70 Cb 0.15 -0.08 -0.00 0.00 2.00 0.00 0.00 35.95 38.03 1n5j h PHE 70 CO 0.00 0.63 -0.60 0.00 -0.18 0.00 0.00 178.31 178.17 1n5j h ALA 71 N 1.36 0.53 -0.10 2.45 0.00 -0.65 -2.47 119.26 120.39 1n5j h ALA 71 Ca 0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1n5j h ALA 71 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1n5j h ALA 71 CO 0.06 0.69 -0.30 -0.07 0.00 0.00 0.00 179.25 179.64 1n5j h LEU 72 N 0.53 0.18 0.39 0.00 3.38 -0.38 0.12 115.31 119.54 1n5j h LEU 72 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1n5j h LEU 72 Cb 1.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1n5j h LEU 72 CO 0.12 0.48 -0.19 -0.78 0.09 0.00 0.00 178.44 178.17 1n5j h ASP 73 N 0.17 -0.44 -0.14 -0.43 3.58 -1.13 -2.49 116.42 115.53 1n5j h ASP 73 Ca 0.02 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1n5j h ASP 73 Cb 0.62 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1n5j h ASP 73 CO 0.04 -0.18 0.05 0.03 -2.88 0.00 0.00 179.24 176.30 1n5j h ARG 74 N -0.70 0.29 -0.19 0.28 3.08 -1.16 -1.64 114.38 114.33 1n5j h ARG 74 Ca -0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1n5j h ARG 74 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1n5j h ARG 74 CO 0.09 0.27 -0.04 0.00 -1.07 0.00 0.00 179.97 179.22 1n5j h ALA 75 N 1.77 1.57 -0.00 0.04 0.00 -0.58 -0.77 119.26 121.29 1n5j h ALA 75 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n5j h ALA 75 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n5j h ALA 75 CO -0.00 0.31 -0.01 0.41 0.00 0.00 0.00 179.25 179.96 1n5j n GLY 76 N -1.03 -0.84 0.53 0.00 0.00 -0.63 -3.43 105.19 99.79 1n5j n GLY 76 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.83 1n5j n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5j n ALA 77 N -0.81 2.41 -0.09 4.61 0.00 -0.31 -4.71 120.51 121.61 1n5j n ALA 77 Ca 0.21 -0.73 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 1n5j n ALA 77 Cb 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1n5j n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n5j h VAL 78 N 2.29 0.50 -0.71 0.00 2.07 -1.55 0.52 116.25 119.37 1n5j h VAL 78 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1n5j h VAL 78 Cb 0.56 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1n5j h VAL 78 CO 0.00 0.00 0.37 0.45 0.02 0.00 0.00 177.57 178.41 1n5j h HIS 79 N -0.11 1.01 -0.23 1.57 3.86 -1.87 -1.11 115.15 118.27 1n5j h HIS 79 Ca 0.17 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1n5j h HIS 79 Cb 0.37 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1n5j h HIS 79 CO -0.38 0.73 0.15 1.15 0.86 0.00 0.00 177.93 180.44 1n5j h THR 80 N 0.99 1.08 0.02 2.45 2.02 -1.68 0.38 112.91 118.17 1n5j h THR 80 Ca 0.25 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1n5j h THR 80 Cb 0.08 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1n5j h THR 80 CO -0.04 0.07 -0.01 0.40 0.37 0.00 0.00 175.52 176.32 1n5j h ILE 81 N 0.30 1.03 -0.43 3.11 2.04 -0.65 -1.14 117.51 121.78 1n5j h ILE 81 Ca 0.09 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1n5j h ILE 81 Cb -0.01 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1n5j h ILE 81 CO -0.02 0.04 0.22 1.56 0.00 0.00 0.00 178.15 179.95 1n5j h GLN 82 N -0.09 0.58 -0.39 2.37 4.20 -1.09 -1.46 115.11 119.23 1n5j h GLN 82 Ca -0.00 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1n5j h GLN 82 Cb 0.09 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1n5j h GLN 82 CO 0.00 0.44 0.07 0.78 -0.67 0.00 0.00 178.83 179.45 1n5j h GLY 83 N 0.68 0.69 1.09 3.46 0.00 -0.49 -2.71 103.07 105.78 1n5j h GLY 83 Ca 0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1n5j h GLY 83 CO -0.02 0.43 0.25 1.41 0.00 0.00 0.00 176.54 178.60 1n5j h LEU 84 N 0.49 1.07 -1.35 3.11 3.38 -0.63 -2.24 115.31 119.14 1n5j h LEU 84 Ca 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1n5j h LEU 84 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1n5j h LEU 84 CO 0.01 0.98 0.17 0.00 0.09 0.00 0.00 178.44 179.68 1n5j n ARG 86 N -4.37 0.05 -0.05 0.00 0.00 -1.04 -4.07 116.66 107.18 1n5j n ARG 86 Ca 0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 57.85 57.87 1n5j n ARG 86 Cb 0.15 -1.50 -0.15 0.00 -0.00 0.00 0.00 32.46 30.96 1n5j n ARG 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n5j n GLY 87 N 1.49 -0.93 3.34 2.89 0.00 -0.77 -5.00 105.19 106.20 1n5j n GLY 87 Ca 0.06 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1n5j n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n5j s TYR 88 N -2.96 1.73 0.14 1.61 1.51 0.10 -5.05 117.35 114.44 1n5j s TYR 88 Ca -0.08 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.33 1n5j s TYR 88 Cb 0.09 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1n5j s TYR 88 CO 0.81 0.34 1.49 -0.44 -1.11 0.00 0.00 175.55 176.65 1n5j h ASP 89 N 2.83 0.97 -3.83 2.29 3.32 -1.67 -3.43 116.42 116.90 1n5j h ASP 89 Ca -0.39 -0.44 -0.44 0.00 0.02 0.00 0.00 57.03 55.78 1n5j h ASP 89 Cb 1.22 -0.27 -0.31 0.00 0.22 0.00 0.00 39.33 40.19 1n5j h ASP 89 CO 0.58 1.20 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.82 1n5j s VAL 90 N -4.50 0.84 -0.16 -1.35 1.01 -0.53 -1.63 120.40 114.07 1n5j s VAL 90 Ca -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1n5j s VAL 90 Cb 0.11 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1n5j s VAL 90 CO 0.87 0.26 -0.16 -0.69 0.00 0.00 0.00 175.10 175.38 1n5j s VAL 91 N 0.16 1.75 -0.20 2.92 1.01 -0.25 -1.37 120.40 124.43 1n5j s VAL 91 Ca -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1n5j s VAL 91 Cb -0.09 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1n5j s VAL 91 CO 0.01 0.46 0.00 -0.63 0.00 0.00 0.00 175.10 174.94 1n5j s ILE 92 N 1.41 4.01 -0.18 2.22 1.01 0.11 -0.85 121.20 128.92 1n5j s ILE 92 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1n5j s ILE 92 Cb -0.13 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1n5j s ILE 92 CO -0.11 0.43 0.05 -0.76 0.00 0.00 0.00 174.94 174.55 1n5j s LEU 93 N 0.92 3.74 -0.76 2.97 1.43 0.12 -1.31 118.68 125.79 1n5j s LEU 93 Ca 0.01 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1n5j s LEU 93 Cb -0.14 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.25 1n5j s LEU 93 CO 0.02 0.16 0.92 -0.62 0.23 0.00 0.00 176.35 177.07 1n5j s ASP 94 N 0.42 6.41 0.00 2.29 3.68 0.18 -0.37 116.67 129.28 1n5j s ASP 94 Ca 0.02 -1.72 0.00 0.00 2.13 0.00 0.00 52.55 52.98 1n5j s ASP 94 Cb -0.13 -2.35 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 1n5j s ASP 94 CO 0.01 -1.10 0.00 0.54 0.13 0.00 0.00 175.17 174.75 1n5j n ARG 95 N 6.42 0.00 0.00 4.34 1.74 -0.30 -1.38 116.66 127.48 1n5j n ARG 95 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1n5j n ARG 95 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1n5j n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n5j n TYR 96 N -1.03 0.00 -0.33 -1.55 9.36 -1.26 -4.22 117.16 118.13 1n5j n TYR 96 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1n5j n TYR 96 Cb 0.00 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 38.97 1n5j n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n5j h VAL 97 N 0.00 0.97 0.00 2.97 2.07 -1.99 -2.07 116.25 118.21 1n5j h VAL 97 Ca 0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1n5j h VAL 97 Cb 0.00 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1n5j h VAL 97 CO 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 177.76 1n5j h ALA 98 N 1.53 1.79 -0.60 1.67 0.00 -1.96 -1.37 119.26 120.32 1n5j h ALA 98 Ca 0.45 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.39 1n5j h ALA 98 Cb 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1n5j h ALA 98 CO -0.21 0.01 0.35 0.77 0.00 0.00 0.00 179.25 180.18 1n5j h SER 99 N 0.00 0.56 -0.72 0.00 0.02 -1.77 0.12 113.55 111.75 1n5j h SER 99 Ca -0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1n5j h SER 99 Cb 0.02 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1n5j h SER 99 CO 0.00 0.38 0.37 -1.13 -1.14 0.00 0.00 176.83 175.32 1n5j h ASN 100 N 0.69 0.93 -0.26 3.07 -1.24 -1.37 -1.64 115.58 115.75 1n5j h ASN 100 Ca 0.25 -0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 1n5j h ASN 100 Cb 0.07 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1n5j h ASN 100 CO -0.13 0.78 0.02 0.00 -1.29 0.00 0.00 177.43 176.81 1n5j h ALA 101 N 1.19 0.35 0.06 1.57 0.00 -1.28 -1.69 119.26 119.46 1n5j h ALA 101 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n5j h ALA 101 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n5j h ALA 101 CO -0.04 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.26 1n5j h ALA 102 N 0.84 -0.08 -0.27 0.00 0.00 -0.82 -2.11 119.26 116.82 1n5j h ALA 102 Ca 0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1n5j h ALA 102 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1n5j h ALA 102 CO 0.01 -0.43 -0.45 1.88 0.00 0.00 0.00 179.25 180.26 1n5j h TYR 103 N -0.31 0.84 -0.32 0.00 -1.99 -1.38 -1.94 116.97 111.88 1n5j h TYR 103 Ca -0.01 -0.27 -0.04 0.00 2.00 0.00 0.00 58.73 60.41 1n5j h TYR 103 Cb 0.28 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1n5j h TYR 103 CO 0.00 1.02 0.03 0.77 -0.00 0.00 0.00 178.16 179.98 1n5j h SER 104 N 0.56 0.52 -0.36 3.88 0.02 -1.35 -0.34 113.55 116.49 1n5j h SER 104 Ca 0.03 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1n5j h SER 104 Cb 1.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1n5j h SER 104 CO 0.09 0.67 0.18 0.00 -1.14 0.00 0.00 176.83 176.64 1n5j h ALA 105 N 0.87 0.46 -0.85 3.77 0.00 -1.39 -2.65 119.26 119.47 1n5j h ALA 105 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n5j h ALA 105 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1n5j h ALA 105 CO 0.01 0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.74 1n5j h ALA 106 N 1.04 1.08 -0.14 0.00 0.00 -1.19 0.16 119.26 120.21 1n5j h ALA 106 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1n5j h ALA 106 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1n5j h ALA 106 CO -0.02 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 1n5j h ARG 107 N 1.18 0.21 -0.28 0.00 3.08 -0.90 -2.05 114.38 115.62 1n5j h ARG 107 Ca 0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1n5j h ARG 107 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1n5j h ARG 107 CO -0.05 0.33 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1n5j n LEU 108 N -4.31 2.53 -2.90 3.04 4.77 -0.76 -4.94 117.00 114.44 1n5j n LEU 108 Ca -0.01 -1.08 -0.22 0.00 -0.03 0.00 0.00 56.01 54.67 1n5j n LEU 108 Cb 0.24 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1n5j n LEU 108 CO 0.37 0.54 -0.06 1.41 -1.33 0.00 0.00 177.39 178.32 1n5j n HIS 109 N 0.89 -1.76 -3.29 -1.77 8.25 -0.13 -5.00 115.22 112.41 1n5j n HIS 109 Ca 0.17 0.41 -0.19 0.00 -0.26 0.00 0.00 57.72 57.85 1n5j n HIS 109 Cb 0.46 -4.34 -0.01 0.00 1.12 0.00 0.00 29.99 27.23 1n5j n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n5j s GLU 110 N -5.57 2.72 0.53 -0.41 2.02 0.37 -5.01 118.70 113.35 1n5j s GLU 110 Ca 0.24 -1.35 0.06 0.00 0.02 0.00 0.00 54.97 53.94 1n5j s GLU 110 Cb -0.11 -2.60 0.06 0.00 0.10 0.00 0.00 34.13 31.59 1n5j s GLU 110 CO 0.30 -0.20 0.51 0.27 0.02 0.00 0.00 175.26 176.15 1n5j n ASN 111 N -1.70 2.43 0.30 -0.19 0.23 -1.26 -4.34 115.26 110.73 1n5j n ASN 111 Ca 0.05 -2.67 0.15 0.00 -0.53 0.00 0.00 54.58 51.59 1n5j n ASN 111 Cb 0.60 -0.16 0.91 0.00 -2.08 0.00 0.00 39.78 39.05 1n5j n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n5j h ALA 112 N 0.50 1.46 -0.39 -2.53 0.00 -1.94 -0.69 119.26 115.67 1n5j h ALA 112 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n5j h ALA 112 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n5j h ALA 112 CO 0.46 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1n5j n ALA 113 N -2.30 2.44 -1.64 0.00 0.00 -1.26 -4.73 120.51 113.02 1n5j n ALA 113 Ca -0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 53.44 52.64 1n5j n ALA 113 Cb 0.10 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.64 1n5j n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5j n GLY 114 N 1.14 -0.64 0.11 0.00 0.00 -0.27 -4.94 105.19 100.60 1n5j n GLY 114 Ca 0.14 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 1n5j n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5j h LYS 115 N 0.00 -0.19 -0.46 1.61 1.79 -1.92 -2.85 116.57 114.55 1n5j h LYS 115 Ca -0.13 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1n5j h LYS 115 Cb 0.40 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1n5j h LYS 115 CO 0.11 -0.05 0.28 0.00 -1.08 0.00 0.00 179.45 178.71 1n5j h ALA 116 N 0.57 0.59 -0.84 3.86 0.00 -1.93 0.01 119.26 121.52 1n5j h ALA 116 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n5j h ALA 116 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1n5j h ALA 116 CO 0.03 -0.02 0.44 0.00 0.00 0.00 0.00 179.25 179.71 1n5j h ALA 117 N 1.19 1.08 -0.46 0.00 0.00 -1.80 -0.62 119.26 118.65 1n5j h ALA 117 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1n5j h ALA 117 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1n5j h ALA 117 CO -0.07 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 1n5j h ALA 118 N 1.24 1.02 -0.49 0.00 0.00 -1.21 -1.76 119.26 118.05 1n5j h ALA 118 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n5j h ALA 118 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1n5j h ALA 118 CO -0.04 0.60 0.09 2.35 0.00 0.00 0.00 179.25 182.24 1n5j h TRP 119 N 0.74 0.85 -0.67 0.00 7.01 -0.32 -1.36 115.95 122.20 1n5j h TRP 119 Ca 0.13 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1n5j h TRP 119 Cb 0.54 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1n5j h TRP 119 CO 0.03 0.78 0.33 0.28 -2.79 0.00 0.00 178.44 177.06 1n5j h VAL 120 N 0.68 1.22 -0.07 2.65 2.07 -0.91 -0.74 116.25 121.15 1n5j h VAL 120 Ca 0.15 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1n5j h VAL 120 Cb 0.38 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1n5j h VAL 120 CO 0.01 0.26 0.01 -0.61 0.02 0.00 0.00 177.57 177.26 1n5j h GLN 121 N 0.93 0.04 -0.37 1.57 5.75 -1.07 -0.96 115.11 120.99 1n5j h GLN 121 Ca 0.23 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.70 1n5j h GLN 121 Cb 0.11 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1n5j h GLN 121 CO -0.03 0.02 0.13 0.00 -2.65 0.00 0.00 178.83 176.30 1n5j h ARG 122 N 0.04 0.57 0.03 1.69 3.08 -1.00 -2.97 114.38 115.82 1n5j h ARG 122 Ca 0.03 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1n5j h ARG 122 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1n5j h ARG 122 CO -0.05 0.57 -0.01 0.82 -1.07 0.00 0.00 179.97 180.23 1n5j h ILE 123 N 0.45 1.43 0.01 2.04 1.08 -1.08 -1.16 117.51 120.29 1n5j h ILE 123 Ca 0.12 -1.74 -0.06 0.00 -0.39 0.00 0.00 64.86 62.79 1n5j h ILE 123 Cb 0.23 2.54 0.01 0.00 -3.07 0.00 0.00 36.82 36.53 1n5j h ILE 123 CO -0.01 0.42 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.30 1n5j h GLU 124 N -0.83 0.15 0.03 2.37 5.08 -1.31 0.32 114.58 120.39 1n5j h GLU 124 Ca -0.00 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1n5j h GLU 124 Cb 0.72 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1n5j h GLU 124 CO 0.01 0.94 -0.01 0.74 -1.00 0.00 0.00 179.01 179.68 1n5j h PHE 125 N -0.56 -0.03 0.10 4.33 0.05 -1.65 -1.46 116.94 117.72 1n5j h PHE 125 Ca -0.03 -0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 1n5j h PHE 125 Cb 1.04 0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.00 1n5j h PHE 125 CO 0.19 0.42 -0.05 0.00 -0.18 0.00 0.00 178.31 178.69 1n5j h ALA 126 N -0.52 -0.14 0.14 2.45 0.00 -1.59 -3.01 119.26 116.59 1n5j h ALA 126 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1n5j h ALA 126 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n5j h ALA 126 CO 0.01 -0.20 -0.07 -0.09 0.00 0.00 0.00 179.25 178.90 1n5j h ARG 127 N -0.91 -0.18 0.00 0.00 2.43 -1.16 -3.33 114.38 111.24 1n5j h ARG 127 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n5j h ARG 127 Cb 0.54 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1n5j h ARG 127 CO 0.02 0.28 -0.04 1.28 -1.51 0.00 0.00 179.97 180.01 1n5j n LEU 128 N -4.90 0.25 -0.36 3.80 4.77 0.11 -4.95 117.00 115.72 1n5j n LEU 128 Ca -0.08 0.49 -0.05 0.00 -0.03 0.00 0.00 56.01 56.34 1n5j n LEU 128 Cb 0.27 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1n5j n LEU 128 CO 0.27 -0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.85 1n5j n GLY 129 N 1.45 0.74 3.73 -0.72 0.00 -1.08 -4.96 105.19 104.35 1n5j n GLY 129 Ca 0.06 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1n5j n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5j s LEU 130 N -1.07 4.38 0.40 0.99 2.01 -0.57 -4.95 118.68 119.88 1n5j s LEU 130 Ca 0.00 2.54 -0.26 0.00 0.01 0.00 0.00 54.13 56.42 1n5j s LEU 130 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 46.19 42.51 1n5j s LEU 130 CO 0.00 -0.70 1.25 -2.16 1.01 0.00 0.00 176.35 175.75 1n5j s PRO 131 N 0.43 4.00 0.12 1.29 0.04 -1.26 -4.54 135.00 135.08 1n5j s PRO 131 Ca 0.63 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 1n5j s PRO 131 Cb -0.41 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1n5j s PRO 131 CO 0.36 -0.43 1.02 0.15 0.04 0.00 0.00 177.00 178.14 1n5j s LYS 132 N -2.25 4.65 0.46 4.56 1.02 -1.26 -5.01 119.74 121.91 1n5j s LYS 132 Ca 0.57 1.55 -0.23 0.00 0.02 0.00 0.00 55.97 57.87 1n5j s LYS 132 Cb -0.35 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.53 1n5j s LYS 132 CO 0.45 0.13 1.19 -1.25 -0.92 0.00 0.00 175.35 174.96 1n5j s PRO 133 N -0.01 3.74 0.22 -1.68 0.04 -1.26 -4.93 135.00 131.11 1n5j s PRO 133 Ca 0.49 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 63.35 1n5j s PRO 133 Cb -0.25 -2.44 0.20 0.00 0.04 0.00 0.00 34.50 32.05 1n5j s PRO 133 CO 0.31 -0.59 1.60 -0.44 0.04 0.00 0.00 177.00 177.92 1n5j h ASP 134 N 2.08 0.67 -4.51 6.66 3.32 -1.26 -3.42 116.42 119.97 1n5j h ASP 134 Ca -0.49 -0.28 -0.22 0.00 0.02 0.00 0.00 57.03 56.06 1n5j h ASP 134 Cb 1.25 -0.19 -0.24 0.00 0.22 0.00 0.00 39.33 40.38 1n5j h ASP 134 CO 0.60 0.96 -0.72 0.26 -1.72 0.00 0.00 179.24 178.62 1n5j s TRP 135 N -4.37 0.27 -0.15 4.55 0.52 -1.09 -4.05 118.94 114.63 1n5j s TRP 135 Ca -0.08 -0.34 -0.01 0.00 0.02 0.00 0.00 56.10 55.69 1n5j s TRP 135 Cb 0.13 -0.18 0.04 0.00 -1.15 0.00 0.00 33.47 32.30 1n5j s TRP 135 CO 0.83 -0.11 -0.03 -0.65 0.02 0.00 0.00 176.95 177.01 1n5j s GLN 136 N -0.96 1.15 -0.33 4.98 -0.21 -0.58 -1.28 119.66 122.42 1n5j s GLN 136 Ca -0.09 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 54.80 1n5j s GLN 136 Cb -0.07 -1.81 -0.02 0.00 1.00 0.00 0.00 33.01 32.12 1n5j s GLN 136 CO -0.00 -0.43 0.22 0.08 -2.12 0.00 0.00 175.29 173.03 1n5j s VAL 137 N 1.74 5.15 -0.36 1.09 1.01 0.69 -1.09 120.40 128.63 1n5j s VAL 137 Ca 0.01 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1n5j s VAL 137 Cb -0.15 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1n5j s VAL 137 CO -0.07 0.03 0.53 -0.22 0.00 0.00 0.00 175.10 175.36 1n5j s LEU 138 N 1.70 4.36 -0.89 3.92 2.96 0.20 -0.05 118.68 130.88 1n5j s LEU 138 Ca 0.06 -0.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.73 1n5j s LEU 138 Cb -0.17 -2.60 0.12 0.00 0.50 0.00 0.00 46.19 44.03 1n5j s LEU 138 CO 0.10 -0.50 1.11 -0.22 -1.32 0.00 0.00 176.35 175.51 1n5j s LEU 139 N 2.43 4.88 -0.05 -0.68 2.96 -0.25 -1.47 118.68 126.51 1n5j s LEU 139 Ca 0.19 -1.84 -0.29 0.00 -0.22 0.00 0.00 54.13 51.97 1n5j s LEU 139 Cb -0.15 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 1n5j s LEU 139 CO 0.14 -1.15 0.96 0.00 -1.32 0.00 0.00 176.35 174.99 1n5j s ALA 140 N 3.01 3.26 0.06 5.97 0.00 -0.54 -4.62 121.76 128.91 1n5j s ALA 140 Ca 0.31 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 1n5j s ALA 140 Cb -0.07 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1n5j s ALA 140 CO -0.06 -0.36 0.08 0.14 0.00 0.00 0.00 175.76 175.56 1n5j s VAL 141 N 1.37 0.16 0.42 0.00 -7.23 -1.26 -4.35 120.40 109.50 1n5j s VAL 141 Ca 0.49 -1.33 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 1n5j s VAL 141 Cb -0.20 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 1n5j s VAL 141 CO 0.23 -0.73 1.38 -0.94 -0.31 0.00 0.00 175.10 174.73 1n5j s SER 142 N -2.55 6.13 0.29 4.85 1.04 -1.26 -4.88 113.70 117.32 1n5j s SER 142 Ca 0.01 2.82 -0.02 0.00 0.48 0.00 0.00 55.95 59.24 1n5j s SER 142 Cb 0.03 -2.65 0.43 0.00 0.10 0.00 0.00 66.02 63.93 1n5j s SER 142 CO -0.08 -0.99 1.95 0.00 0.98 0.00 0.00 173.24 175.10 1n5j h ALA 143 N 2.58 1.41 0.03 5.32 0.00 -1.97 -1.82 119.26 124.81 1n5j h ALA 143 Ca -0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1n5j h ALA 143 Cb 1.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1n5j h ALA 143 CO 0.62 0.52 -0.01 1.05 0.00 0.00 0.00 179.25 181.43 1n5j h GLU 144 N 1.14 -0.04 -0.52 0.00 -0.00 -1.98 -0.82 114.58 112.36 1n5j h GLU 144 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.68 1n5j h GLU 144 Cb -0.05 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 28.69 1n5j h GLU 144 CO -0.09 0.05 0.24 1.37 -0.00 0.00 0.00 179.01 180.58 1n5j h LEU 145 N -0.12 0.69 -0.91 3.06 -0.00 -1.88 -1.38 115.31 114.77 1n5j h LEU 145 Ca -0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 1n5j h LEU 145 Cb 0.11 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.55 1n5j h LEU 145 CO 0.01 0.64 0.50 0.00 -0.00 0.00 0.00 178.44 179.59 1n5j h ALA 146 N 1.08 1.16 -0.36 0.17 0.00 -1.26 -1.73 119.26 118.32 1n5j h ALA 146 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1n5j h ALA 146 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1n5j h ALA 146 CO -0.02 0.67 -0.11 0.78 0.00 0.00 0.00 179.25 180.57 1n5j h GLY 147 N 1.27 0.67 1.29 0.00 0.00 -0.78 -2.04 103.07 103.49 1n5j h GLY 147 Ca 0.32 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1n5j h GLY 147 CO -0.05 0.44 -0.05 0.83 0.00 0.00 0.00 176.54 177.71 1n5j h GLU 148 N 0.57 0.85 -0.31 4.80 3.07 -0.62 -1.10 114.58 121.85 1n5j h GLU 148 Ca 0.10 -0.26 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 1n5j h GLU 148 Cb 0.52 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1n5j h GLU 148 CO 0.03 0.88 -0.30 -0.09 -1.40 0.00 0.00 179.01 178.13 1n5j h ARG 149 N 0.78 0.65 -0.35 2.33 2.43 -0.98 -0.24 114.38 118.99 1n5j h ARG 149 Ca 0.14 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1n5j h ARG 149 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1n5j h ARG 149 CO 0.03 0.87 0.02 0.77 -1.51 0.00 0.00 179.97 180.16 1n5j h SER 150 N 0.55 0.59 -0.53 -3.80 0.02 -1.03 -1.66 113.55 107.70 1n5j h SER 150 Ca 0.07 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1n5j h SER 150 Cb 0.80 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1n5j h SER 150 CO 0.07 0.74 0.12 0.03 -1.14 0.00 0.00 176.83 176.65 1n5j h ARG 151 N 0.43 0.86 -0.87 3.45 3.08 -1.09 -2.86 114.38 117.38 1n5j h ARG 151 Ca 0.10 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1n5j h ARG 151 Cb 0.42 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1n5j h ARG 151 CO 0.01 0.82 0.54 0.78 -1.07 0.00 0.00 179.97 181.05 1n5j h GLY 152 N 0.75 1.25 1.01 0.04 0.00 -0.88 -1.97 103.07 103.27 1n5j h GLY 152 Ca 0.17 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1n5j h GLY 152 CO 0.00 0.49 0.40 3.21 0.00 0.00 0.00 176.54 180.65 1n5j h ARG 153 N 1.19 0.80 -0.30 4.80 3.08 -1.17 -2.47 114.38 120.32 1n5j h ARG 153 Ca 0.32 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1n5j h ARG 153 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1n5j h ARG 153 CO -0.06 0.54 -0.13 0.00 -1.07 0.00 0.00 179.97 179.25 1n5j h ALA 154 N 1.22 1.23 -0.37 0.04 0.00 -1.26 -1.31 119.26 118.81 1n5j h ALA 154 Ca 0.22 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1n5j h ALA 154 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1n5j h ALA 154 CO -0.05 0.50 -0.20 1.96 0.00 0.00 0.00 179.25 181.47 1n5j h GLN 155 N 0.47 0.70 -0.02 0.00 1.08 -0.92 -3.24 115.11 113.19 1n5j h GLN 155 Ca 0.09 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1n5j h GLN 155 Cb 0.50 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1n5j h GLN 155 CO 0.03 0.85 -0.21 2.89 -0.95 0.00 0.00 178.83 181.44 1n5j n ARG 156 N -4.13 1.72 -3.62 1.46 1.85 -1.01 -4.83 116.66 108.09 1n5j n ARG 156 Ca 0.00 -1.40 -0.28 0.00 -1.00 0.00 0.00 57.85 55.18 1n5j n ARG 156 Cb 0.41 -1.42 -0.16 0.00 -1.05 0.00 0.00 32.46 30.24 1n5j n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1n5j s ASP 157 N -2.07 3.19 0.62 2.89 -1.08 -0.50 -5.00 116.67 114.72 1n5j s ASP 157 Ca 0.22 -1.08 0.37 0.00 -0.52 0.00 0.00 52.55 51.54 1n5j s ASP 157 Cb 0.18 -0.44 2.08 0.00 -1.46 0.00 0.00 42.92 43.27 1n5j s ASP 157 CO 0.40 -0.39 2.29 1.55 0.52 0.00 0.00 175.17 179.54 1n5j h PRO 158 N 8.33 0.00 -0.06 4.34 0.13 -1.86 -0.74 132.00 142.15 1n5j h PRO 158 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1n5j h PRO 158 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1n5j h PRO 158 CO 0.39 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1n5j n GLY 159 N -1.09 -0.38 2.40 1.56 0.00 -1.26 -4.06 105.19 102.37 1n5j n GLY 159 Ca -0.03 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 1n5j n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n5j n ARG 160 N -0.27 2.78 -1.58 1.61 1.74 -0.28 -5.08 116.66 115.57 1n5j n ARG 160 Ca 0.17 -3.94 -0.36 0.00 -0.77 0.00 0.00 57.85 52.95 1n5j n ARG 160 Cb 0.22 -1.97 0.08 0.00 -1.02 0.00 0.00 32.46 29.77 1n5j n ARG 160 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n5j s ALA 161 N -3.59 2.24 0.67 7.54 0.00 -1.26 -3.75 121.76 123.60 1n5j s ALA 161 Ca 0.41 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 1n5j s ALA 161 Cb 0.39 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1n5j s ALA 161 CO -0.02 -1.75 1.09 1.03 0.00 0.00 0.00 175.76 176.10 1n5j s ARG 162 N -3.62 2.84 0.29 0.00 0.52 -1.26 -4.98 118.95 112.73 1n5j s ARG 162 Ca 0.79 1.24 0.03 0.00 -0.52 0.00 0.00 55.73 57.27 1n5j s ARG 162 Cb -0.34 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.20 1n5j s ARG 162 CO 0.42 -1.20 0.25 -0.40 0.02 0.00 0.00 175.30 174.39 1n5j n ASP 163 N -2.63 1.77 -0.32 0.23 5.68 -1.26 -4.92 116.55 115.10 1n5j n ASP 163 Ca 0.09 -1.95 0.07 0.00 -0.50 0.00 0.00 54.79 52.50 1n5j n ASP 163 Cb 0.53 -0.05 0.27 0.00 -1.14 0.00 0.00 41.12 40.72 1n5j n ASP 163 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1n5j h ASN 164 N 0.29 0.86 -0.16 -1.12 -1.24 -1.49 -1.49 115.58 111.24 1n5j h ASN 164 Ca -0.17 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 56.75 1n5j h ASN 164 Cb 0.66 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1n5j h ASN 164 CO 0.27 0.49 -0.36 1.88 -1.29 0.00 0.00 177.43 178.42 1n5j h TYR 165 N 0.94 0.67 -0.10 0.67 -1.99 -1.94 -3.17 116.97 112.06 1n5j h TYR 165 Ca 0.45 -0.25 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 1n5j h TYR 165 Cb 0.44 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 1n5j h TYR 165 CO -0.00 0.99 -0.16 0.93 -0.00 0.00 0.00 178.16 179.91 1n5j h GLU 166 N 0.16 0.15 0.00 4.88 5.08 -1.84 -2.31 114.58 120.70 1n5j h GLU 166 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1n5j h GLU 166 Cb 0.96 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1n5j h GLU 166 CO 0.08 0.32 -0.01 0.54 -1.00 0.00 0.00 179.01 178.94 1n5j n ARG 167 N -4.28 0.03 -3.14 2.33 1.74 -0.60 -4.53 116.66 108.22 1n5j n ARG 167 Ca -0.01 0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.64 1n5j n ARG 167 Cb 0.27 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1n5j n ARG 167 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n5j s ASP 168 N -3.16 6.63 0.21 0.55 -1.08 -0.87 -4.91 116.67 114.04 1n5j s ASP 168 Ca 0.14 -2.25 -0.10 0.00 -0.52 0.00 0.00 52.55 49.81 1n5j s ASP 168 Cb 0.18 -2.30 0.17 0.00 -1.46 0.00 0.00 42.92 39.52 1n5j s ASP 168 CO 0.54 -0.85 1.88 0.00 0.52 0.00 0.00 175.17 177.27 1n5j h ALA 169 N 8.40 0.99 -0.63 3.66 0.00 -1.82 -1.73 119.26 128.12 1n5j h ALA 169 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1n5j h ALA 169 Cb 1.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1n5j h ALA 169 CO 0.94 0.39 0.14 0.93 0.00 0.00 0.00 179.25 181.65 1n5j h GLU 170 N 1.04 1.00 -0.39 0.00 3.07 -1.95 -1.18 114.58 116.17 1n5j h GLU 170 Ca 0.29 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1n5j h GLU 170 Cb -0.11 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 1n5j h GLU 170 CO -0.07 0.90 0.14 1.25 -1.40 0.00 0.00 179.01 179.83 1n5j h LEU 171 N 0.95 0.55 -1.08 1.33 5.85 -1.80 -0.47 115.31 120.64 1n5j h LEU 171 Ca 0.20 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1n5j h LEU 171 Cb 0.36 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1n5j h LEU 171 CO 0.00 0.59 0.62 1.56 -0.34 0.00 0.00 178.44 180.87 1n5j h GLN 172 N 0.48 1.18 -0.09 1.25 1.08 -0.99 0.15 115.11 118.17 1n5j h GLN 172 Ca 0.13 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1n5j h GLN 172 Cb 0.22 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1n5j h GLN 172 CO -0.01 0.78 -0.01 1.96 -0.95 0.00 0.00 178.83 180.61 1n5j h GLN 173 N 1.21 0.17 -0.29 1.46 4.20 -0.82 -2.20 115.11 118.84 1n5j h GLN 173 Ca 0.36 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 1n5j h GLN 173 Cb -0.04 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1n5j h GLN 173 CO -0.10 0.44 -0.05 0.00 -0.67 0.00 0.00 178.83 178.45 1n5j h ARG 174 N -0.12 0.46 -0.54 1.46 3.08 -0.72 -2.44 114.38 115.56 1n5j h ARG 174 Ca 0.03 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1n5j h ARG 174 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1n5j h ARG 174 CO 0.01 0.52 0.05 1.15 -1.07 0.00 0.00 179.97 180.63 1n5j h THR 175 N 0.43 1.26 -0.86 2.04 2.02 -0.59 -1.42 112.91 115.79 1n5j h THR 175 Ca 0.09 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1n5j h THR 175 Cb 0.36 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1n5j h THR 175 CO 0.02 0.37 0.47 1.23 0.37 0.00 0.00 175.52 177.97 1n5j h GLY 176 N 0.81 1.28 1.13 2.16 0.00 -1.04 -1.26 103.07 106.14 1n5j h GLY 176 Ca 0.16 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1n5j h GLY 176 CO 0.02 0.55 -0.07 0.00 0.00 0.00 0.00 176.54 177.05 1n5j h ALA 177 N 1.31 0.82 -0.45 3.60 0.00 -1.04 -2.21 119.26 121.29 1n5j h ALA 177 Ca 0.30 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1n5j h ALA 177 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1n5j h ALA 177 CO -0.05 0.67 -0.20 0.28 0.00 0.00 0.00 179.25 179.95 1n5j h VAL 178 N 0.92 1.27 -0.53 0.00 2.07 -0.97 -2.67 116.25 116.34 1n5j h VAL 178 Ca 0.15 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1n5j h VAL 178 Cb 0.62 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1n5j h VAL 178 CO 0.04 0.46 0.23 1.88 0.02 0.00 0.00 177.57 180.20 1n5j h TYR 179 N 0.79 0.42 -0.86 1.57 0.99 -1.00 0.27 116.97 119.14 1n5j h TYR 179 Ca 0.11 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.88 1n5j h TYR 179 Cb 0.74 -0.11 -0.04 0.00 1.00 0.00 0.00 36.73 38.32 1n5j h TYR 179 CO 0.04 0.17 0.57 0.00 -0.00 0.00 0.00 178.16 178.94 1n5j h ALA 180 N 1.32 1.41 -0.26 3.88 0.00 -1.18 -1.32 119.26 123.11 1n5j h ALA 180 Ca 0.25 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1n5j h ALA 180 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n5j h ALA 180 CO -0.21 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.37 1n5j h GLU 181 N 1.14 0.55 -0.46 0.00 5.08 -0.95 -1.77 114.58 118.17 1n5j h GLU 181 Ca 0.32 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1n5j h GLU 181 Cb -0.09 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1n5j h GLU 181 CO -0.08 0.81 0.17 -0.07 -1.00 0.00 0.00 179.01 178.84 1n5j h LEU 182 N 0.28 0.18 -0.57 1.33 3.38 -0.57 -1.27 115.31 118.07 1n5j h LEU 182 Ca 0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1n5j h LEU 182 Cb 0.65 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1n5j h LEU 182 CO 0.04 0.13 0.26 0.00 0.09 0.00 0.00 178.44 178.96 1n5j h ALA 183 N 1.30 0.73 -0.41 1.53 0.00 -1.20 -1.29 119.26 119.93 1n5j h ALA 183 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n5j h ALA 183 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n5j h ALA 183 CO -0.22 0.31 0.26 0.00 0.00 0.00 0.00 179.25 179.60 1n5j h ALA 184 N 1.10 1.68 -0.17 0.00 0.00 -0.62 -2.20 119.26 119.05 1n5j h ALA 184 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n5j h ALA 184 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n5j h ALA 184 CO -0.02 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1n5j n GLN 185 N -4.46 2.17 -3.49 0.00 10.64 -0.55 -4.96 117.38 116.73 1n5j n GLN 185 Ca 0.03 -1.74 -0.21 0.00 -1.83 0.00 0.00 57.00 53.25 1n5j n GLN 185 Cb 0.07 -1.47 0.08 0.00 -0.86 0.00 0.00 30.24 28.06 1n5j n GLN 185 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1n5j n GLY 186 N 1.33 -0.43 3.68 2.61 0.00 -0.64 -4.90 105.19 106.84 1n5j n GLY 186 Ca 0.17 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1n5j n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1n5j s TRP 187 N -3.31 1.99 0.00 1.61 -0.00 -0.58 -2.14 118.94 116.51 1n5j s TRP 187 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.54 1n5j s TRP 187 Cb -0.19 -4.09 0.00 0.00 -0.00 0.00 0.00 33.47 29.19 1n5j s TRP 187 CO 0.69 -4.59 0.00 0.41 -0.00 0.00 0.00 176.95 173.46 1n5j n GLY 188 N 4.22 1.64 0.00 5.86 0.00 -1.26 -4.83 105.19 110.82 1n5j n GLY 188 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n5j n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5j n GLY 189 N -2.00 -0.49 3.76 -0.02 0.00 -0.91 -4.21 105.19 101.33 1n5j n GLY 189 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1n5j n GLY 189 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n5j s ARG 190 N -1.62 4.52 0.28 1.61 3.52 -1.26 -4.49 118.95 121.52 1n5j s ARG 190 Ca 0.00 1.96 0.11 0.00 -0.13 0.00 0.00 55.73 57.67 1n5j s ARG 190 Cb 0.00 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1n5j s ARG 190 CO 0.00 0.04 -0.09 -1.58 -0.81 0.00 0.00 175.30 172.86 1n5j s TRP 191 N -1.04 2.51 -0.03 5.12 0.52 -1.26 -1.53 118.94 123.22 1n5j s TRP 191 Ca 0.47 -0.29 -0.00 0.00 0.02 0.00 0.00 56.10 56.30 1n5j s TRP 191 Cb -0.35 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1n5j s TRP 191 CO 0.45 0.65 0.02 -1.17 0.02 0.00 0.00 176.95 176.91 1n5j s LEU 192 N -3.61 0.94 -0.21 2.99 2.96 -0.25 -4.90 118.68 116.60 1n5j s LEU 192 Ca 0.31 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 1n5j s LEU 192 Cb -0.05 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 1n5j s LEU 192 CO 0.18 -0.14 0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 1n5j s VAL 193 N 1.30 4.23 0.24 1.68 1.01 -1.26 -0.63 120.40 126.96 1n5j s VAL 193 Ca -0.06 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1n5j s VAL 193 Cb -0.13 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1n5j s VAL 193 CO -0.02 0.41 -0.03 0.68 0.00 0.00 0.00 175.10 176.14 1n5j s VAL 194 N 0.98 1.25 0.40 2.92 -7.23 -0.54 -4.97 120.40 113.20 1n5j s VAL 194 Ca 0.03 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1n5j s VAL 194 Cb -0.14 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.52 1n5j s VAL 194 CO 0.02 -0.37 0.38 0.61 -0.31 0.00 0.00 175.10 175.44 1n5j n GLY 195 N -0.45 2.53 0.28 2.32 0.00 -1.26 -1.46 105.19 107.15 1n5j n GLY 195 Ca -0.06 -2.24 0.16 0.00 0.00 0.00 0.00 46.02 43.88 1n5j n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5j h ALA 196 N 0.54 1.14 -0.35 4.61 0.00 -1.93 -2.67 119.26 120.60 1n5j h ALA 196 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1n5j h ALA 196 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1n5j h ALA 196 CO 0.35 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 1n5j n ASP 197 N -3.39 2.42 -4.67 0.00 3.85 -1.26 -4.97 116.55 108.53 1n5j n ASP 197 Ca -0.01 -1.90 -0.41 0.00 -0.71 0.00 0.00 54.79 51.76 1n5j n ASP 197 Cb 0.24 -0.23 0.02 0.00 -1.35 0.00 0.00 41.12 39.79 1n5j n ASP 197 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1n5j n VAL 198 N 0.81 2.72 -3.08 2.12 3.14 -1.01 -4.93 118.33 118.10 1n5j n VAL 198 Ca 0.17 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.63 1n5j n VAL 198 Cb 0.42 -1.40 -0.06 0.00 -1.06 0.00 0.00 33.84 31.73 1n5j n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1n5j s ASP 199 N -0.69 6.52 0.40 6.55 2.15 -1.26 -4.95 116.67 125.38 1n5j s ASP 199 Ca 0.64 0.43 0.13 0.00 0.43 0.00 0.00 52.55 54.17 1n5j s ASP 199 Cb -0.51 -2.35 0.96 0.00 -0.30 0.00 0.00 42.92 40.72 1n5j s ASP 199 CO 0.56 -0.53 1.89 -0.65 -0.17 0.00 0.00 175.17 176.27 1n5j h PRO 200 N 8.22 0.51 -0.12 4.34 0.11 -1.92 -0.18 132.00 142.97 1n5j h PRO 200 Ca -0.26 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1n5j h PRO 200 Cb 1.11 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1n5j h PRO 200 CO 0.82 0.34 -0.01 0.78 -0.21 0.00 0.00 178.00 179.72 1n5j h GLY 201 N 0.53 0.24 1.77 -0.55 0.00 -1.92 -1.27 103.07 101.87 1n5j h GLY 201 Ca 0.42 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.41 1n5j h GLY 201 CO -0.16 0.17 -0.62 3.21 0.00 0.00 0.00 176.54 179.13 1n5j h ARG 202 N -0.06 0.24 -0.53 4.80 3.08 -1.88 -2.57 114.38 117.46 1n5j h ARG 202 Ca 0.03 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1n5j h ARG 202 Cb 0.39 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1n5j h ARG 202 CO 0.01 0.78 0.09 1.25 -1.07 0.00 0.00 179.97 181.03 1n5j h LEU 203 N 0.17 0.84 -1.35 3.04 5.85 -0.99 -1.46 115.31 121.41 1n5j h LEU 203 Ca -0.01 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1n5j h LEU 203 Cb 1.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1n5j h LEU 203 CO 0.10 0.88 -0.29 0.00 -0.34 0.00 0.00 178.44 178.79 1n5j h ALA 204 N 0.99 1.46 -0.31 1.25 0.00 -1.15 -1.57 119.26 119.93 1n5j h ALA 204 Ca 0.16 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1n5j h ALA 204 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1n5j h ALA 204 CO 0.01 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 179.35 1n5j h ALA 205 N 1.66 0.45 -0.55 0.00 0.00 -1.03 0.19 119.26 119.97 1n5j h ALA 205 Ca 0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1n5j h ALA 205 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1n5j h ALA 205 CO 0.04 0.48 0.04 1.15 0.00 0.00 0.00 179.25 180.96 1n5j h THR 206 N 0.50 1.25 0.08 0.00 2.02 -0.93 -3.11 112.91 112.73 1n5j h THR 206 Ca 0.05 -1.03 -0.25 0.00 0.77 0.00 0.00 66.41 65.95 1n5j h THR 206 Cb 0.88 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1n5j h THR 206 CO 0.08 0.37 -1.13 -0.07 0.37 0.00 0.00 175.52 175.14 1n5j h LEU 207 N 0.86 0.32 -0.18 2.58 3.38 -1.20 -3.52 115.31 117.56 1n5j h LEU 207 Ca 0.17 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1n5j h LEU 207 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1n5j h LEU 207 CO 0.02 1.23 0.00 0.00 0.09 0.00 0.00 178.44 179.78