#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5q n GLU 3 N 0.00 1.01 0.25 0.00 0.00 -1.26 -4.85 120.64 115.79 1n5q n GLU 3 Ca 0.00 0.38 0.10 0.00 0.00 0.00 0.00 57.16 57.64 1n5q n GLU 3 Cb 0.00 -2.03 0.66 0.00 0.00 0.00 0.00 31.44 30.08 1n5q n GLU 3 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1n5q h VAL 4 N 0.87 0.79 -0.36 6.31 -1.51 -2.04 -1.78 116.25 118.53 1n5q h VAL 4 Ca -0.46 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 1n5q h VAL 4 Cb 1.36 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1n5q h VAL 4 CO 0.53 0.12 0.00 -0.46 -1.23 0.00 0.00 177.57 176.53 1n5q n ASN 5 N -3.96 4.07 -4.71 4.19 2.04 -1.26 -4.98 115.26 110.65 1n5q n ASN 5 Ca -0.02 -2.78 -0.42 0.00 -0.44 0.00 0.00 54.58 50.92 1n5q n ASN 5 Cb 0.21 -0.51 -0.03 0.00 -2.53 0.00 0.00 39.78 36.92 1n5q n ASN 5 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1n5q s ASP 6 N -1.52 6.55 0.11 0.53 -1.08 -0.67 -4.89 116.67 115.70 1n5q s ASP 6 Ca 0.42 2.64 0.16 0.00 -0.52 0.00 0.00 52.55 55.24 1n5q s ASP 6 Cb 0.31 -2.59 0.69 0.00 -1.46 0.00 0.00 42.92 39.87 1n5q s ASP 6 CO 0.13 -0.87 1.48 -0.81 0.52 0.00 0.00 175.17 175.62 1n5q n PRO 7 N 4.37 0.07 0.28 4.34 -0.04 -1.26 -1.58 135.00 141.19 1n5q n PRO 7 Ca 0.15 0.38 0.18 0.00 -0.04 0.00 0.00 63.50 64.17 1n5q n PRO 7 Cb 0.38 -1.66 0.75 0.00 -0.04 0.00 0.00 33.50 32.93 1n5q n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5q h ARG 8 N 0.00 0.00 -6.43 0.54 3.08 -1.94 -3.40 114.38 106.23 1n5q h ARG 8 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1n5q h ARG 8 Cb 0.22 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1n5q h ARG 8 CO 0.00 0.00 1.05 0.08 -1.07 0.00 0.00 179.97 180.03 1n5q s VAL 9 N -3.72 3.82 -0.36 2.04 1.01 -0.61 -4.35 120.40 118.22 1n5q s VAL 9 Ca 0.00 0.60 0.22 0.00 0.00 0.00 0.00 61.98 62.80 1n5q s VAL 9 Cb 0.09 -4.78 -0.28 0.00 0.00 0.00 0.00 36.38 31.42 1n5q s VAL 9 CO 0.53 -1.58 0.67 0.61 0.00 0.00 0.00 175.10 175.32 1n5q n GLY 10 N 5.27 -1.03 3.31 4.51 0.00 -0.79 -4.67 105.19 111.78 1n5q n GLY 10 Ca 0.06 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1n5q n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5q s PHE 11 N -3.34 -0.55 0.01 1.61 5.36 -0.85 -4.69 117.98 115.52 1n5q s PHE 11 Ca -0.02 1.25 0.05 0.00 -0.96 0.00 0.00 56.93 57.25 1n5q s PHE 11 Cb 0.14 0.23 -0.02 0.00 -0.34 0.00 0.00 43.02 43.04 1n5q s PHE 11 CO 0.88 -0.29 -0.17 0.08 -1.46 0.00 0.00 175.22 174.26 1n5q s VAL 12 N 0.86 1.33 -0.08 3.12 1.01 -0.27 -0.59 120.40 125.78 1n5q s VAL 12 Ca -0.05 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1n5q s VAL 12 Cb -0.06 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1n5q s VAL 12 CO -0.07 0.27 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 1n5q s ALA 13 N -0.55 2.28 -0.25 5.51 0.00 -0.68 -1.14 121.76 126.94 1n5q s ALA 13 Ca 0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1n5q s ALA 13 Cb -0.07 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.27 1n5q s ALA 13 CO 0.00 0.37 -0.07 0.08 0.00 0.00 0.00 175.76 176.14 1n5q s VAL 14 N -0.00 2.71 -0.15 0.00 1.01 0.55 -1.27 120.40 123.25 1n5q s VAL 14 Ca -0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1n5q s VAL 14 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1n5q s VAL 14 CO 0.05 0.16 -0.10 -0.69 0.00 0.00 0.00 175.10 174.52 1n5q s VAL 15 N 1.28 3.24 -0.19 2.92 1.01 -0.21 -0.61 120.40 127.83 1n5q s VAL 15 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1n5q s VAL 15 Cb -0.17 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1n5q s VAL 15 CO -0.05 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.60 1n5q s THR 16 N 0.58 3.38 -0.35 3.92 2.01 0.98 -0.44 115.64 125.72 1n5q s THR 16 Ca -0.06 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1n5q s THR 16 Cb -0.15 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1n5q s THR 16 CO 0.03 0.45 0.18 -0.36 -0.69 0.00 0.00 174.62 174.24 1n5q s PHE 17 N 1.11 3.22 0.15 4.92 0.40 0.66 -0.74 117.98 127.70 1n5q s PHE 17 Ca 0.01 -0.87 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 1n5q s PHE 17 Cb -0.15 -2.40 -0.07 0.00 0.51 0.00 0.00 43.02 40.91 1n5q s PHE 17 CO -0.01 -0.59 1.10 -1.25 0.70 0.00 0.00 175.22 175.17 1n5q s PRO 18 N 1.56 4.57 0.22 0.24 0.04 -1.26 -1.25 135.00 139.13 1n5q s PRO 18 Ca 0.03 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1n5q s PRO 18 Cb -0.18 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 1n5q s PRO 18 CO 0.06 0.03 0.08 0.14 0.04 0.00 0.00 177.00 177.35 1n5q s VAL 19 N 0.03 0.44 -2.18 -0.36 -7.23 -0.13 -0.49 120.40 110.49 1n5q s VAL 19 Ca 0.51 -1.99 0.26 0.00 -1.81 0.00 0.00 61.98 58.95 1n5q s VAL 19 Cb -0.29 -2.47 0.31 0.00 0.56 0.00 0.00 36.38 34.50 1n5q s VAL 19 CO 0.33 -0.12 1.52 -0.90 -0.31 0.00 0.00 175.10 175.62 1n5q n ASP 20 N -0.36 1.54 0.00 4.85 5.75 -0.17 -4.61 116.55 123.56 1n5q n ASP 20 Ca -0.01 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1n5q n ASP 20 Cb 0.65 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1n5q n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n5q n GLY 21 N 1.30 -2.09 0.31 6.12 0.00 -1.20 -4.97 105.19 104.66 1n5q n GLY 21 Ca 0.14 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.95 1n5q n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5q h PRO 22 N 0.00 0.56 -0.44 1.61 0.13 -1.93 -0.04 132.00 131.89 1n5q h PRO 22 Ca 0.00 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1n5q h PRO 22 Cb 0.00 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 30.98 1n5q h PRO 22 CO 0.00 0.37 0.13 0.00 -0.23 0.00 0.00 178.00 178.27 1n5q h ALA 23 N 1.73 0.57 -0.55 -0.56 0.00 -1.94 -0.85 119.26 117.66 1n5q h ALA 23 Ca 0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1n5q h ALA 23 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1n5q h ALA 23 CO -0.03 0.23 -0.05 1.15 0.00 0.00 0.00 179.25 180.55 1n5q h THR 24 N 0.57 1.26 -0.54 0.00 2.02 -1.81 -1.78 112.91 112.64 1n5q h THR 24 Ca 0.14 -1.18 0.11 0.00 0.77 0.00 0.00 66.41 66.25 1n5q h THR 24 Cb 0.27 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.47 1n5q h THR 24 CO -0.00 0.42 -0.02 1.56 0.37 0.00 0.00 175.52 177.85 1n5q h GLN 25 N 0.90 0.09 -0.47 6.66 4.20 -0.62 0.20 115.11 126.07 1n5q h GLN 25 Ca 0.15 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1n5q h GLN 25 Cb 0.59 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1n5q h GLN 25 CO 0.04 0.06 0.19 1.25 -0.67 0.00 0.00 178.83 179.70 1n5q h HIS 26 N 0.10 0.72 -0.48 2.96 2.76 -0.92 -2.00 115.15 118.28 1n5q h HIS 26 Ca 0.27 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1n5q h HIS 26 Cb 0.42 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1n5q h HIS 26 CO -0.35 0.61 0.01 0.87 -1.30 0.00 0.00 177.93 177.77 1n5q h LYS 27 N 0.62 0.80 -0.35 5.26 1.57 -0.81 -0.69 116.57 122.96 1n5q h LYS 27 Ca 0.16 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1n5q h LYS 27 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1n5q h LYS 27 CO -0.01 0.80 -0.37 1.25 -0.57 0.00 0.00 179.45 180.54 1n5q h LEU 28 N 0.75 0.94 -0.76 2.94 5.85 -0.42 -0.64 115.31 123.96 1n5q h LEU 28 Ca 0.15 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 1n5q h LEU 28 Cb 0.44 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1n5q h LEU 28 CO 0.02 1.22 0.10 0.58 -0.34 0.00 0.00 178.44 180.02 1n5q h VAL 29 N 0.68 1.26 -0.75 1.05 2.07 -1.27 0.06 116.25 119.35 1n5q h VAL 29 Ca 0.05 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1n5q h VAL 29 Cb 0.97 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1n5q h VAL 29 CO 0.09 0.38 0.48 -0.08 0.02 0.00 0.00 177.57 178.45 1n5q h GLU 30 N 0.97 0.99 -0.07 1.57 4.81 -0.87 -0.42 114.58 121.57 1n5q h GLU 30 Ca 0.19 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1n5q h GLU 30 Cb 0.43 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1n5q h GLU 30 CO 0.01 0.67 -0.07 1.25 -0.73 0.00 0.00 179.01 180.14 1n5q h LEU 31 N 1.02 0.18 -1.80 1.64 5.85 -0.84 -1.28 115.31 120.08 1n5q h LEU 31 Ca 0.27 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1n5q h LEU 31 Cb -0.09 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1n5q h LEU 31 CO -0.06 0.64 -0.15 0.00 -0.34 0.00 0.00 178.44 178.53 1n5q h ALA 32 N 0.55 1.40 -0.36 1.25 0.00 -0.42 -2.41 119.26 119.27 1n5q h ALA 32 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n5q h ALA 32 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n5q h ALA 32 CO 0.02 0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.71 1n5q n THR 33 N -3.85 2.14 0.77 0.00 -2.24 -0.22 -4.48 114.28 106.41 1n5q n THR 33 Ca -0.02 -1.61 0.11 0.00 -2.27 0.00 0.00 64.05 60.25 1n5q n THR 33 Cb 0.25 -0.11 0.29 0.00 -2.10 0.00 0.00 70.33 68.65 1n5q n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5q n GLY 34 N -0.02 0.98 0.00 3.38 0.00 -0.49 -4.91 105.19 104.13 1n5q n GLY 34 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1n5q n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5q n GLY 35 N 1.30 1.06 0.27 -0.02 0.00 -1.26 -4.97 105.19 101.56 1n5q n GLY 35 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1n5q n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1n5q h VAL 36 N 0.00 0.90 -0.36 1.61 3.04 -1.83 -2.12 116.25 117.49 1n5q h VAL 36 Ca 0.00 -0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.49 1n5q h VAL 36 Cb 0.00 1.00 -0.13 0.00 -2.01 0.00 0.00 31.29 30.15 1n5q h VAL 36 CO 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 177.57 176.39 1n5q n GLN 37 N -4.40 1.97 -0.31 4.17 10.64 -1.26 -4.64 117.38 123.55 1n5q n GLN 37 Ca -0.03 -3.30 0.15 0.00 -1.83 0.00 0.00 57.00 51.99 1n5q n GLN 37 Cb 0.09 -1.84 0.40 0.00 -0.86 0.00 0.00 30.24 28.02 1n5q n GLN 37 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1n5q h GLU 38 N 1.13 0.62 -0.49 2.61 4.39 -1.75 -1.55 114.58 119.53 1n5q h GLU 38 Ca 0.22 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.96 1n5q h GLU 38 Cb 1.53 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 1n5q h GLU 38 CO 0.41 0.41 0.33 0.11 -1.16 0.00 0.00 179.01 179.11 1n5q h TRP 39 N 0.64 0.37 0.00 4.33 5.08 -1.85 -2.55 115.95 121.97 1n5q h TRP 39 Ca 0.52 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.49 1n5q h TRP 39 Cb 0.97 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 27.01 1n5q h TRP 39 CO -0.00 0.19 -0.04 0.97 -1.28 0.00 0.00 178.44 178.28 1n5q h ILE 40 N 0.37 0.76 0.00 0.12 2.10 -1.64 -3.05 117.51 116.16 1n5q h ILE 40 Ca 0.22 -0.17 -0.02 0.00 1.08 0.00 0.00 64.86 65.97 1n5q h ILE 40 Cb 0.40 1.10 -0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1n5q h ILE 40 CO -0.05 0.04 -0.11 0.03 -1.08 0.00 0.00 178.15 176.98 1n5q h ARG 41 N 0.00 0.00 -0.64 2.19 3.08 -1.61 -1.57 114.38 115.84 1n5q h ARG 41 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n5q h ARG 41 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1n5q h ARG 41 CO 0.01 0.11 0.00 -0.85 -1.07 0.00 0.00 179.97 178.16 1n5q n GLU 42 N -4.30 2.53 -2.55 0.04 0.28 -1.15 -4.92 120.64 110.57 1n5q n GLU 42 Ca -0.03 -2.37 -0.42 0.00 -0.16 0.00 0.00 57.16 54.18 1n5q n GLU 42 Cb 0.18 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 1n5q n GLU 42 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1n5q s VAL 43 N -1.15 4.42 0.18 3.84 1.01 -0.59 -4.96 120.40 123.15 1n5q s VAL 43 Ca 0.44 1.74 -0.32 0.00 0.00 0.00 0.00 61.98 63.83 1n5q s VAL 43 Cb 0.23 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 1n5q s VAL 43 CO 0.30 0.07 1.71 -2.65 0.00 0.00 0.00 175.10 174.54 1n5q n PRO 44 N 4.48 2.63 -0.17 2.72 -0.02 -1.26 -1.56 135.00 141.82 1n5q n PRO 44 Ca 0.09 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1n5q n PRO 44 Cb 0.48 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1n5q n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5q n GLY 45 N 3.89 1.01 3.70 -1.23 0.00 -1.26 -4.83 105.19 106.47 1n5q n GLY 45 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1n5q n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5q s PHE 46 N -2.58 3.43 -0.14 1.61 5.36 -0.60 0.22 117.98 125.28 1n5q s PHE 46 Ca 0.00 1.44 0.01 0.00 -0.96 0.00 0.00 56.93 57.41 1n5q s PHE 46 Cb 0.00 -3.29 -0.09 0.00 -0.34 0.00 0.00 43.02 39.29 1n5q s PHE 46 CO 0.00 -0.74 -0.13 1.28 -1.46 0.00 0.00 175.22 174.17 1n5q n LEU 47 N 4.57 2.88 -3.62 6.12 4.77 -0.18 -4.92 117.00 126.63 1n5q n LEU 47 Ca 0.09 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 1n5q n LEU 47 Cb 0.48 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1n5q n LEU 47 CO 0.54 0.72 1.08 -0.94 -1.33 0.00 0.00 177.39 177.46 1n5q s SER 48 N -5.44 -0.09 -0.12 -1.43 1.04 -0.98 -4.16 113.70 102.52 1n5q s SER 48 Ca -0.19 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 1n5q s SER 48 Cb 0.05 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1n5q s SER 48 CO 0.33 -0.14 0.09 0.00 0.98 0.00 0.00 173.24 174.49 1n5q s ALA 49 N -2.07 0.32 -0.19 5.32 0.00 -1.26 -0.72 121.76 123.15 1n5q s ALA 49 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 1n5q s ALA 49 Cb -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1n5q s ALA 49 CO -0.04 -0.92 -0.05 0.99 0.00 0.00 0.00 175.76 175.74 1n5q s THR 50 N 2.16 3.44 -0.12 0.00 2.01 -0.16 -4.96 115.64 118.02 1n5q s THR 50 Ca 0.03 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 1n5q s THR 50 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1n5q s THR 50 CO -0.07 0.45 0.03 -0.31 -0.69 0.00 0.00 174.62 174.03 1n5q s TYR 51 N 1.07 3.22 0.09 4.92 1.51 -1.26 -1.08 117.35 125.82 1n5q s TYR 51 Ca 0.01 0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 1n5q s TYR 51 Cb -0.15 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1n5q s TYR 51 CO -0.00 0.36 -0.14 -1.01 -1.11 0.00 0.00 175.55 173.65 1n5q s HIS 52 N -0.43 1.25 -0.25 2.71 3.76 0.20 -4.96 115.29 117.56 1n5q s HIS 52 Ca 0.09 -0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1n5q s HIS 52 Cb -0.12 -0.69 -0.05 0.00 1.11 0.00 0.00 32.58 32.83 1n5q s HIS 52 CO 0.02 0.07 0.19 0.00 -0.85 0.00 0.00 174.74 174.18 1n5q s ALA 53 N -1.60 3.58 0.51 -1.40 0.00 -1.26 -0.78 121.76 120.81 1n5q s ALA 53 Ca 0.01 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 1n5q s ALA 53 Cb -0.08 -2.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 1n5q s ALA 53 CO 0.02 -0.35 1.40 -1.54 0.00 0.00 0.00 175.76 175.29 1n5q s SER 54 N 1.34 5.46 0.56 0.00 1.04 0.07 -4.87 113.70 117.31 1n5q s SER 54 Ca 0.08 2.85 0.35 0.00 0.48 0.00 0.00 55.95 59.71 1n5q s SER 54 Cb -0.15 -2.64 1.56 0.00 0.10 0.00 0.00 66.02 64.89 1n5q s SER 54 CO 0.07 -1.45 2.06 0.71 0.98 0.00 0.00 173.24 175.62 1n5q h THR 55 N 1.77 0.09 -0.02 2.02 1.35 -1.98 -2.16 112.91 113.98 1n5q h THR 55 Ca -0.51 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1n5q h THR 55 Cb 1.29 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1n5q h THR 55 CO 0.59 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 1n5q n ASP 56 N -3.16 0.58 0.00 5.36 5.68 -1.26 -4.91 116.55 118.83 1n5q n ASP 56 Ca -0.00 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1n5q n ASP 56 Cb 0.26 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1n5q n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5q n GLY 57 N 1.02 0.93 0.91 6.12 0.00 -0.81 -4.91 105.19 108.43 1n5q n GLY 57 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1n5q n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n5q n THR 58 N -2.06 0.14 -3.58 2.61 -2.24 -1.26 -3.22 114.28 104.67 1n5q n THR 58 Ca 0.00 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1n5q n THR 58 Cb 0.00 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 1n5q n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5q s ALA 59 N -1.67 -1.24 -0.14 6.98 0.00 -1.26 -0.95 121.76 123.47 1n5q s ALA 59 Ca 0.28 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1n5q s ALA 59 Cb 0.19 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1n5q s ALA 59 CO 0.27 -0.55 -0.11 0.08 0.00 0.00 0.00 175.76 175.45 1n5q s VAL 60 N -2.84 3.18 -0.11 0.00 1.01 -0.38 -0.75 120.40 120.51 1n5q s VAL 60 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1n5q s VAL 60 Cb -0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1n5q s VAL 60 CO -0.05 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.70 1n5q s VAL 61 N 0.45 2.66 -0.25 2.92 1.01 0.04 -0.24 120.40 126.99 1n5q s VAL 61 Ca -0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1n5q s VAL 61 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1n5q s VAL 61 CO 0.04 0.54 0.11 0.21 0.00 0.00 0.00 175.10 176.00 1n5q s ASN 62 N 0.23 5.50 -0.35 3.32 2.47 0.42 -0.63 114.94 125.90 1n5q s ASN 62 Ca -0.12 -0.09 -0.12 0.00 0.42 0.00 0.00 52.86 52.95 1n5q s ASN 62 Cb -0.16 -1.99 -0.00 0.00 -1.45 0.00 0.00 41.25 37.65 1n5q s ASN 62 CO 0.06 -0.00 0.23 -0.47 -3.72 0.00 0.00 177.10 173.20 1n5q s TYR 63 N 1.43 3.22 -0.12 0.43 5.04 -0.24 -1.05 117.35 126.06 1n5q s TYR 63 Ca 0.06 -0.49 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 1n5q s TYR 63 Cb -0.15 -2.46 0.00 0.00 0.35 0.00 0.00 41.96 39.70 1n5q s TYR 63 CO 0.05 -0.47 -0.22 0.00 -1.34 0.00 0.00 175.55 173.57 1n5q s ALA 64 N 1.66 2.24 -0.15 3.97 0.00 -0.39 -0.98 121.76 128.10 1n5q s ALA 64 Ca 0.05 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 1n5q s ALA 64 Cb -0.18 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1n5q s ALA 64 CO 0.09 0.18 0.14 -0.65 0.00 0.00 0.00 175.76 175.51 1n5q s GLN 65 N 0.51 3.69 0.04 0.00 -0.21 0.11 -1.69 119.66 122.11 1n5q s GLN 65 Ca -0.14 -0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.11 1n5q s GLN 65 Cb -0.17 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 1n5q s GLN 65 CO 0.05 0.62 -0.10 -1.58 -2.12 0.00 0.00 175.29 172.16 1n5q s TRP 66 N -0.57 0.89 0.28 0.91 0.52 0.24 -1.01 118.94 120.20 1n5q s TRP 66 Ca 0.13 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.85 1n5q s TRP 66 Cb -0.12 -0.52 0.42 0.00 -1.15 0.00 0.00 33.47 32.10 1n5q s TRP 66 CO 0.02 -0.02 1.74 0.93 0.02 0.00 0.00 176.95 179.64 1n5q h GLU 67 N 4.68 0.51 -3.26 4.98 5.08 -0.43 -1.95 114.58 124.20 1n5q h GLU 67 Ca -0.37 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1n5q h GLU 67 Cb 1.19 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1n5q h GLU 67 CO 0.42 0.70 0.06 -1.54 -1.00 0.00 0.00 179.01 177.65 1n5q s SER 68 N -6.79 -0.27 0.27 1.42 1.04 -1.26 -2.41 113.70 105.70 1n5q s SER 68 Ca -0.07 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1n5q s SER 68 Cb 0.14 0.60 0.38 0.00 0.10 0.00 0.00 66.02 67.24 1n5q s SER 68 CO 0.79 -1.10 1.80 -0.08 0.98 0.00 0.00 173.24 175.63 1n5q h GLU 69 N 2.16 0.81 -0.39 4.02 4.81 -1.90 -2.06 114.58 122.03 1n5q h GLU 69 Ca -0.27 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1n5q h GLU 69 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1n5q h GLU 69 CO 0.35 0.76 0.24 0.37 -0.73 0.00 0.00 179.01 180.00 1n5q h GLN 70 N 0.77 0.47 -0.69 1.92 5.75 -1.99 0.24 115.11 121.57 1n5q h GLN 70 Ca 0.16 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1n5q h GLN 70 Cb 0.36 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1n5q h GLN 70 CO 0.01 0.31 0.23 0.00 -2.65 0.00 0.00 178.83 176.72 1n5q h ALA 71 N 1.16 0.91 0.00 3.38 0.00 -1.82 -0.23 119.26 122.66 1n5q h ALA 71 Ca 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n5q h ALA 71 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1n5q h ALA 71 CO -0.06 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.82 1n5q h TYR 72 N 1.01 -0.07 -0.32 0.00 3.20 -1.13 0.30 116.97 119.96 1n5q h TYR 72 Ca 0.23 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 1n5q h TYR 72 Cb 0.28 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1n5q h TYR 72 CO 0.02 -0.05 -0.29 0.00 -1.64 0.00 0.00 178.16 176.21 1n5q h ARG 73 N -0.06 0.77 0.11 1.82 3.08 -0.19 -0.33 114.38 119.59 1n5q h ARG 73 Ca 0.01 -0.39 -0.16 0.00 0.07 0.00 0.00 59.98 59.51 1n5q h ARG 73 Cb 0.07 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.14 1n5q h ARG 73 CO -0.03 1.02 -0.72 0.28 -1.07 0.00 0.00 179.97 179.44 1n5q h VAL 74 N 0.53 1.53 0.00 2.04 2.07 -1.03 0.29 116.25 121.68 1n5q h VAL 74 Ca 0.06 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1n5q h VAL 74 Cb 0.86 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1n5q h VAL 74 CO 0.07 0.69 -0.59 0.59 0.02 0.00 0.00 177.57 178.36 1n5q n ASN 75 N -4.20 0.56 0.01 0.57 3.02 0.10 -4.11 115.26 111.21 1n5q n ASN 75 Ca -0.14 -0.16 -0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1n5q n ASN 75 Cb 0.77 0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1n5q n ASN 75 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n5q n PHE 76 N -1.70 0.00 -0.35 3.10 7.35 -0.92 -4.58 117.46 120.35 1n5q n PHE 76 Ca 0.05 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.76 1n5q n PHE 76 Cb 0.37 -0.01 0.17 0.00 0.35 0.00 0.00 39.48 40.36 1n5q n PHE 76 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1n5q h GLY 77 N -0.03 1.47 1.61 7.13 0.00 -0.98 -1.17 103.07 111.11 1n5q h GLY 77 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1n5q h GLY 77 CO 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 176.54 176.82 1n5q n ALA 78 N -2.36 2.50 -2.71 3.60 0.00 0.10 -4.72 120.51 116.92 1n5q n ALA 78 Ca 0.15 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1n5q n ALA 78 Cb 0.19 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 1n5q n ALA 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n5q s ASP 79 N -2.69 6.79 0.58 0.00 3.68 -0.44 -4.96 116.67 119.63 1n5q s ASP 79 Ca 0.24 0.95 0.28 0.00 2.13 0.00 0.00 52.55 56.14 1n5q s ASP 79 Cb 0.20 -2.33 1.67 0.00 -1.45 0.00 0.00 42.92 41.01 1n5q s ASP 79 CO 0.49 -0.03 2.16 1.55 0.13 0.00 0.00 175.17 179.46 1n5q h PRO 80 N 6.69 0.00 0.00 4.34 0.13 -1.84 -1.04 132.00 140.28 1n5q h PRO 80 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1n5q h PRO 80 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1n5q h PRO 80 CO 0.75 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.45 1n5q h ARG 81 N 0.00 0.00 -0.68 0.86 3.08 -1.93 -1.90 114.38 113.81 1n5q h ARG 81 Ca 0.05 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1n5q h ARG 81 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1n5q h ARG 81 CO -0.00 0.07 0.45 0.66 -1.07 0.00 0.00 179.97 180.08 1n5q h SER 82 N 0.00 0.78 -0.36 7.04 4.64 -1.37 -0.29 113.55 123.99 1n5q h SER 82 Ca -0.00 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1n5q h SER 82 Cb 0.18 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1n5q h SER 82 CO 0.01 0.56 -0.09 0.00 -0.87 0.00 0.00 176.83 176.44 1n5q h ALA 83 N 1.25 1.00 -0.71 5.18 0.00 -1.51 -1.41 119.26 123.06 1n5q h ALA 83 Ca 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1n5q h ALA 83 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1n5q h ALA 83 CO -0.06 0.60 0.17 0.93 0.00 0.00 0.00 179.25 180.89 1n5q h GLU 84 N 0.72 1.13 -0.52 0.00 5.08 -1.10 -0.23 114.58 119.67 1n5q h GLU 84 Ca 0.12 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1n5q h GLU 84 Cb 0.57 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1n5q h GLU 84 CO 0.04 1.00 0.18 1.25 -1.00 0.00 0.00 179.01 180.48 1n5q h LEU 85 N 1.07 0.74 -0.54 1.33 5.85 -0.88 -0.73 115.31 122.15 1n5q h LEU 85 Ca 0.22 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1n5q h LEU 85 Cb 0.38 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1n5q h LEU 85 CO 0.00 0.73 0.27 -0.09 -0.34 0.00 0.00 178.44 179.02 1n5q h ARG 86 N 0.70 0.51 -0.77 1.25 2.43 -0.97 -0.96 114.38 116.58 1n5q h ARG 86 Ca 0.17 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1n5q h ARG 86 Cb 0.24 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1n5q h ARG 86 CO -0.01 0.34 0.26 1.49 -1.51 0.00 0.00 179.97 180.53 1n5q h GLU 87 N 0.52 1.18 -0.56 0.20 4.57 -0.77 -0.41 114.58 119.31 1n5q h GLU 87 Ca 0.24 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1n5q h GLU 87 Cb 0.16 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1n5q h GLU 87 CO -0.17 0.99 0.25 0.00 -1.18 0.00 0.00 179.01 178.89 1n5q h ALA 88 N 1.14 0.73 0.00 2.92 0.00 -0.57 -1.95 119.26 121.53 1n5q h ALA 88 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n5q h ALA 88 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n5q h ALA 88 CO -0.01 0.31 -0.02 -0.07 0.00 0.00 0.00 179.25 179.46 1n5q h LEU 89 N 0.76 0.00 -0.50 0.00 3.38 -0.85 -3.03 115.31 115.08 1n5q h LEU 89 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n5q h LEU 89 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n5q h LEU 89 CO -0.02 0.02 -0.33 -1.54 0.09 0.00 0.00 178.44 176.66 1n5q n SER 90 N -3.12 1.10 -0.28 -0.43 3.41 -0.19 -4.09 113.62 110.02 1n5q n SER 90 Ca 0.01 -0.91 0.14 0.00 -0.26 0.00 0.00 58.87 57.85 1n5q n SER 90 Cb 0.33 0.22 0.59 0.00 -0.26 0.00 0.00 64.21 65.09 1n5q n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1n5q n SER 91 N -0.68 0.94 -4.73 4.04 7.64 -0.98 -4.91 113.62 114.95 1n5q n SER 91 Ca 0.11 -1.10 -0.41 0.00 1.01 0.00 0.00 58.87 58.47 1n5q n SER 91 Cb 0.36 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 1n5q n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1n5q s LEU 92 N -2.19 4.48 0.36 -3.43 2.96 -1.26 -5.02 118.68 114.57 1n5q s LEU 92 Ca 0.35 1.88 -0.28 0.00 -0.22 0.00 0.00 54.13 55.85 1n5q s LEU 92 Cb 0.21 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 43.20 1n5q s LEU 92 CO 0.40 -0.15 1.51 -2.84 -1.32 0.00 0.00 176.35 173.95 1n5q s PRO 93 N 0.06 4.11 0.00 0.98 0.02 -1.26 -3.30 135.00 135.61 1n5q s PRO 93 Ca 0.49 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.09 1n5q s PRO 93 Cb -0.25 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1n5q s PRO 93 CO 0.31 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1n5q n GLY 94 N 0.81 1.66 3.77 0.52 0.00 -1.26 -4.94 105.19 105.75 1n5q n GLY 94 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1n5q n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5q s LEU 95 N 0.00 4.43 -0.06 0.99 1.02 -1.21 -1.00 118.68 122.85 1n5q s LEU 95 Ca 0.00 2.63 0.12 0.00 0.02 0.00 0.00 54.13 56.89 1n5q s LEU 95 Cb 0.00 -3.66 0.33 0.00 0.02 0.00 0.00 46.19 42.87 1n5q s LEU 95 CO 0.00 -0.50 1.26 0.23 0.02 0.00 0.00 176.35 177.36 1n5q n MET 96 N 0.81 2.78 0.00 1.70 2.81 0.36 -4.88 117.12 120.70 1n5q n MET 96 Ca 0.00 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.64 1n5q n MET 96 Cb 0.42 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1n5q n MET 96 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n5q n GLY 97 N -0.10 1.12 3.79 3.03 0.00 -1.26 -4.97 105.19 106.79 1n5q n GLY 97 Ca 0.13 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 1n5q n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n5q s PRO 98 N -2.00 3.31 0.61 1.61 0.04 -1.26 -4.59 135.00 132.72 1n5q s PRO 98 Ca 0.00 1.40 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 1n5q s PRO 98 Cb 0.00 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1n5q s PRO 98 CO 0.00 -0.84 1.22 -2.14 0.04 0.00 0.00 177.00 175.28 1n5q s PRO 99 N -3.68 2.87 -0.08 0.56 0.02 -1.26 -4.71 135.00 128.72 1n5q s PRO 99 Ca 0.68 1.86 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1n5q s PRO 99 Cb -0.19 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 1n5q s PRO 99 CO 0.32 -1.30 -0.11 0.15 -0.33 0.00 0.00 177.00 175.73 1n5q s LYS 100 N -3.37 2.86 0.08 5.54 1.02 0.08 -4.92 119.74 121.03 1n5q s LYS 100 Ca 0.78 -0.63 0.09 0.00 0.02 0.00 0.00 55.97 56.23 1n5q s LYS 100 Cb -0.31 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1n5q s LYS 100 CO 0.35 0.52 -0.22 0.00 -0.92 0.00 0.00 175.35 175.07 1n5q s ALA 101 N -0.44 2.48 -0.07 5.17 0.00 -1.26 -0.01 121.76 127.62 1n5q s ALA 101 Ca 0.06 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1n5q s ALA 101 Cb -0.12 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1n5q s ALA 101 CO 0.02 0.56 -0.07 0.08 0.00 0.00 0.00 175.76 176.35 1n5q s VAL 102 N -0.98 0.85 -0.12 0.00 1.01 0.22 -4.97 120.40 116.41 1n5q s VAL 102 Ca 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1n5q s VAL 102 Cb -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1n5q s VAL 102 CO 0.06 0.31 0.06 -0.36 0.00 0.00 0.00 175.10 175.17 1n5q s PHE 103 N 1.19 3.31 0.23 5.22 0.08 -1.26 -0.33 117.98 126.41 1n5q s PHE 103 Ca -0.06 0.24 -0.21 0.00 0.12 0.00 0.00 56.93 57.02 1n5q s PHE 103 Cb -0.14 -1.92 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1n5q s PHE 103 CO -0.02 0.45 0.66 0.00 -0.10 0.00 0.00 175.22 176.21 1n5q s MET 104 N -0.55 1.56 -0.08 0.44 0.23 -0.29 -5.02 119.30 115.59 1n5q s MET 104 Ca 0.10 -0.79 0.04 0.00 -1.03 0.00 0.00 55.69 54.02 1n5q s MET 104 Cb -0.12 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1n5q s MET 104 CO 0.02 -0.70 -0.21 0.99 -2.03 0.00 0.00 175.02 173.09 1n5q s THR 105 N -3.85 1.77 0.18 3.16 2.01 -1.26 -1.12 115.64 116.52 1n5q s THR 105 Ca 0.07 -0.87 -0.32 0.00 0.31 0.00 0.00 61.69 60.89 1n5q s THR 105 Cb -0.04 -1.53 -0.10 0.00 0.01 0.00 0.00 72.50 70.84 1n5q s THR 105 CO -0.01 0.50 1.59 -2.84 -0.69 0.00 0.00 174.62 173.16 1n5q s PRO 106 N 0.28 4.20 0.00 4.92 0.02 -1.26 -4.89 135.00 138.27 1n5q s PRO 106 Ca -0.13 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1n5q s PRO 106 Cb -0.16 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1n5q s PRO 106 CO 0.06 -0.62 0.00 0.54 -0.33 0.00 0.00 177.00 176.65 1n5q n ARG 107 N 3.89 2.38 -3.49 5.54 5.12 -1.26 -5.07 116.66 123.77 1n5q n ARG 107 Ca 0.14 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.92 1n5q n ARG 107 Cb 0.38 -0.76 -0.04 0.00 -1.16 0.00 0.00 32.46 30.88 1n5q n ARG 107 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1n5q s GLY 108 N -1.26 -0.53 0.03 -0.13 0.00 -1.26 -5.18 107.32 98.99 1n5q s GLY 108 Ca 0.00 1.11 -0.13 0.00 0.00 0.00 0.00 44.72 45.70 1n5q s GLY 108 CO 0.00 0.61 0.28 0.00 0.00 0.00 0.00 173.10 173.99 1n5q s ALA 109 N -2.31 -0.64 -0.25 3.20 0.00 -1.26 -5.10 121.76 115.40 1n5q s ALA 109 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1n5q s ALA 109 Cb -0.01 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1n5q s ALA 109 CO -0.02 -0.37 -0.09 0.42 0.00 0.00 0.00 175.76 175.71 1n5q s ILE 110 N -2.26 2.51 0.31 0.00 1.01 -1.26 -5.13 121.20 116.38 1n5q s ILE 110 Ca -0.07 -1.28 0.09 0.00 0.00 0.00 0.00 60.65 59.39 1n5q s ILE 110 Cb -0.02 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1n5q s ILE 110 CO -0.02 0.13 0.03 -0.76 0.00 0.00 0.00 174.94 174.32 1n5q s LEU 111 N 1.23 3.11 0.87 2.97 1.02 -1.26 -5.10 118.68 121.51 1n5q s LEU 111 Ca -0.03 -0.83 -0.11 0.00 0.02 0.00 0.00 54.13 53.18 1n5q s LEU 111 Cb -0.18 -1.56 0.11 0.00 0.02 0.00 0.00 46.19 44.59 1n5q s LEU 111 CO -0.05 -0.17 1.10 -2.84 0.02 0.00 0.00 176.35 174.40 1n5q s PRO 112 N -3.73 1.47 0.00 1.29 0.02 -1.26 -5.29 135.00 127.50 1n5q s PRO 112 Ca 0.34 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1n5q s PRO 112 Cb -0.03 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1n5q s PRO 112 CO 0.20 -2.16 0.00 0.45 -0.33 0.00 0.00 177.00 175.17