#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm3 s LEU 1 N 0.00 4.34 -0.54 3.14 2.96 -0.48 -4.86 118.68 123.24 1rm3 s LEU 1 Ca 0.00 1.67 -0.28 0.00 -0.22 0.00 0.00 54.13 55.31 1rm3 s LEU 1 Cb 0.00 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.15 1rm3 s LEU 1 CO 0.00 -0.33 1.13 -0.54 -1.32 0.00 0.00 176.35 175.29 1rm3 s LYS 2 N 1.26 3.54 -0.14 1.98 1.02 -1.26 -0.62 119.74 125.53 1rm3 s LYS 2 Ca 0.52 0.25 -0.06 0.00 0.02 0.00 0.00 55.97 56.70 1rm3 s LYS 2 Cb -0.21 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 1rm3 s LYS 2 CO 0.26 -1.55 0.08 0.08 -0.92 0.00 0.00 175.35 173.29 1rm3 s VAL 3 N 4.62 4.93 -0.08 3.17 1.01 0.49 -1.04 120.40 133.50 1rm3 s VAL 3 Ca 0.42 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1rm3 s VAL 3 Cb -0.08 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1rm3 s VAL 3 CO 0.26 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.66 1rm3 s ALA 4 N -0.32 2.13 -0.32 5.51 0.00 -0.30 -1.23 121.76 127.24 1rm3 s ALA 4 Ca 0.09 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1rm3 s ALA 4 Cb -0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1rm3 s ALA 4 CO 0.02 0.33 0.21 0.42 0.00 0.00 0.00 175.76 176.74 1rm3 s ILE 5 N 0.15 5.21 -0.42 0.00 1.01 -0.62 0.16 121.20 126.68 1rm3 s ILE 5 Ca -0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 1rm3 s ILE 5 Cb -0.16 -3.60 0.07 0.00 0.01 0.00 0.00 42.46 38.77 1rm3 s ILE 5 CO 0.07 0.09 0.28 0.21 0.00 0.00 0.00 174.94 175.59 1rm3 s ASN 6 N 1.72 5.78 0.00 3.58 3.84 0.26 -0.94 114.94 129.18 1rm3 s ASN 6 Ca 0.06 -1.37 0.00 0.00 0.21 0.00 0.00 52.86 51.77 1rm3 s ASN 6 Cb -0.17 -2.04 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1rm3 s ASN 6 CO 0.10 -0.53 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 1rm3 n GLY 7 N 5.00 0.18 2.34 1.21 0.00 -1.02 -1.08 105.19 111.82 1rm3 n GLY 7 Ca -0.11 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1rm3 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rm3 n PHE 8 N 0.09 1.44 -0.82 1.61 7.35 -1.26 -4.08 117.46 121.79 1rm3 n PHE 8 Ca 0.00 -2.10 0.00 0.00 -0.76 0.00 0.00 57.45 54.59 1rm3 n PHE 8 Cb 0.00 -1.63 0.00 0.00 0.35 0.00 0.00 39.48 38.20 1rm3 n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rm3 n GLY 9 N 1.72 1.11 0.18 7.13 0.00 -1.26 -4.52 105.19 109.55 1rm3 n GLY 9 Ca 0.53 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 1rm3 n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rm3 h ARG 10 N 0.00 -0.11 -0.29 1.61 2.47 -1.92 0.13 114.38 116.27 1rm3 h ARG 10 Ca 0.00 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.61 1rm3 h ARG 10 Cb 0.00 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1rm3 h ARG 10 CO 0.00 -0.08 -0.29 0.82 0.56 0.00 0.00 179.97 180.98 1rm3 h ILE 11 N -0.12 1.30 -0.87 2.04 1.08 -1.91 -0.44 117.51 118.60 1rm3 h ILE 11 Ca 0.12 -1.46 0.08 0.00 -0.39 0.00 0.00 64.86 63.21 1rm3 h ILE 11 Cb 0.30 1.58 -0.07 0.00 -3.07 0.00 0.00 36.82 35.56 1rm3 h ILE 11 CO -0.28 0.47 0.52 1.23 -0.69 0.00 0.00 178.15 179.40 1rm3 h GLY 12 N 0.45 1.34 1.67 5.37 0.00 -1.61 0.50 103.07 110.80 1rm3 h GLY 12 Ca 0.05 -0.36 -0.26 0.00 0.00 0.00 0.00 47.33 46.75 1rm3 h GLY 12 CO 0.07 0.20 -1.22 3.21 0.00 0.00 0.00 176.54 178.80 1rm3 h ARG 13 N 0.91 0.16 -0.42 4.80 3.08 -0.72 -2.63 114.38 119.56 1rm3 h ARG 13 Ca 0.40 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1rm3 h ARG 13 Cb 0.29 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1rm3 h ARG 13 CO -0.22 1.10 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.75 1rm3 h ASN 14 N 0.04 0.75 0.51 7.04 4.21 -0.61 -2.30 115.58 125.23 1rm3 h ASN 14 Ca -0.11 -0.22 -0.02 0.00 1.21 0.00 0.00 56.30 57.15 1rm3 h ASN 14 Cb 1.91 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.91 1rm3 h ASN 14 CO 0.17 0.89 -0.30 0.15 -1.29 0.00 0.00 177.43 177.05 1rm3 h PHE 15 N 0.69 -0.78 -0.50 1.19 3.57 0.02 0.17 116.94 121.29 1rm3 h PHE 15 Ca 0.12 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.70 1rm3 h PHE 15 Cb 0.59 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.53 1rm3 h PHE 15 CO 0.03 -0.46 0.05 1.25 -2.23 0.00 0.00 178.31 176.95 1rm3 h LEU 16 N -0.76 -0.11 -1.08 0.59 5.85 -1.35 0.25 115.31 118.70 1rm3 h LEU 16 Ca -0.06 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1rm3 h LEU 16 Cb 0.61 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1rm3 h LEU 16 CO 0.07 -0.03 -0.22 0.03 -0.34 0.00 0.00 178.44 177.95 1rm3 h ARG 17 N 0.17 0.39 -0.14 1.25 3.08 -1.25 0.46 114.38 118.35 1rm3 h ARG 17 Ca 0.26 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1rm3 h ARG 17 Cb 0.37 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1rm3 h ARG 17 CO -0.38 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 1rm3 h TRP 18 N -0.02 0.35 -0.70 0.00 7.01 -0.34 -2.09 115.95 120.15 1rm3 h TRP 18 Ca 0.04 0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.20 1rm3 h TRP 18 Cb 0.36 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1rm3 h TRP 18 CO 0.03 0.18 0.47 1.25 -2.79 0.00 0.00 178.44 177.58 1rm3 h HIS 18 N 0.39 0.39 0.00 2.65 2.76 -0.74 -0.58 115.15 120.01 1rm3 h HIS 18 Ca 0.17 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1rm3 h HIS 18 Cb 0.09 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1rm3 h HIS 18 CO -0.11 0.15 -0.04 0.78 -1.30 0.00 0.00 177.93 177.42 1rm3 h GLY 19 N 0.34 0.00 -1.97 5.26 0.00 -0.87 -3.46 103.07 102.37 1rm3 h GLY 19 Ca 0.34 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.17 1rm3 h GLY 19 CO -0.09 0.00 0.41 0.50 0.00 0.00 0.00 176.54 177.36 1rm3 s ARG 20 N -3.17 3.25 -0.09 4.80 1.81 -0.23 -5.04 118.95 120.28 1rm3 s ARG 20 Ca 0.08 1.52 -0.03 0.00 -1.72 0.00 0.00 55.73 55.58 1rm3 s ARG 20 Cb 0.08 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.55 1rm3 s ARG 20 CO 0.65 -0.91 0.03 0.21 -0.68 0.00 0.00 175.30 174.59 1rm3 s LYS 21 N -3.52 3.08 -1.31 3.54 2.20 -1.26 -4.58 119.74 117.89 1rm3 s LYS 21 Ca 0.70 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.84 1rm3 s LYS 21 Cb -0.22 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1rm3 s LYS 21 CO 0.30 0.71 0.54 -0.25 -0.36 0.00 0.00 175.35 176.30 1rm3 n ASP 22 N 2.13 -2.32 -4.76 1.43 8.00 -1.26 -4.89 116.55 114.88 1rm3 n ASP 22 Ca -0.19 -1.08 -0.40 0.00 0.71 0.00 0.00 54.79 53.83 1rm3 n ASP 22 Cb 0.54 -2.84 -0.04 0.00 -0.02 0.00 0.00 41.12 38.77 1rm3 n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rm3 s SER 23 N -3.97 7.13 0.00 -2.24 0.15 -1.26 -4.91 113.70 108.59 1rm3 s SER 23 Ca 0.22 2.37 0.22 0.00 0.70 0.00 0.00 55.95 59.46 1rm3 s SER 23 Cb -0.09 -2.63 1.10 0.00 -1.71 0.00 0.00 66.02 62.68 1rm3 s SER 23 CO 0.90 -0.26 1.73 -0.81 1.20 0.00 0.00 173.24 176.00 1rm3 n PRO 24 N 1.23 1.27 -4.13 5.44 -0.04 -1.26 -4.59 135.00 132.91 1rm3 n PRO 24 Ca -0.00 -0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 62.76 1rm3 n PRO 24 Cb 0.44 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1rm3 n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rm3 s LEU 25 N -1.66 3.48 -0.27 1.53 1.43 -1.26 -1.38 118.68 120.54 1rm3 s LEU 25 Ca 0.32 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1rm3 s LEU 25 Cb 0.16 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 44.27 1rm3 s LEU 25 CO 0.26 0.18 0.09 -0.62 0.23 0.00 0.00 176.35 176.49 1rm3 s ASP 26 N -2.27 3.58 -0.39 2.29 2.15 0.21 -4.46 116.67 117.79 1rm3 s ASP 26 Ca 0.26 -1.32 -0.29 0.00 0.43 0.00 0.00 52.55 51.63 1rm3 s ASP 26 Cb -0.12 -0.63 0.01 0.00 -0.30 0.00 0.00 42.92 41.89 1rm3 s ASP 26 CO 0.18 -0.40 1.28 -0.69 -0.17 0.00 0.00 175.17 175.37 1rm3 s VAL 27 N 1.84 4.10 -0.03 1.11 1.01 -1.26 -0.38 120.40 126.78 1rm3 s VAL 27 Ca 0.07 1.17 0.11 0.00 0.00 0.00 0.00 61.98 63.33 1rm3 s VAL 27 Cb -0.17 -4.32 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 1rm3 s VAL 27 CO -0.24 -0.73 0.25 1.33 0.00 0.00 0.00 175.10 175.71 1rm3 n VAL 28 N 6.68 0.00 -3.78 2.92 0.24 -0.36 -4.84 118.33 119.18 1rm3 n VAL 28 Ca 0.14 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 1rm3 n VAL 28 Cb 0.48 0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 33.04 1rm3 n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rm3 s VAL 29 N -2.74 0.08 -0.02 3.34 0.11 -1.23 -0.92 120.40 119.01 1rm3 s VAL 29 Ca -0.04 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 1rm3 s VAL 29 Cb 0.07 -0.85 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1rm3 s VAL 29 CO 0.46 -0.38 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.17 1rm3 s ILE 30 N -2.27 0.48 -0.59 7.04 1.01 0.67 -1.60 121.20 125.94 1rm3 s ILE 30 Ca -0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1rm3 s ILE 30 Cb -0.02 -0.46 0.15 0.00 0.01 0.00 0.00 42.46 42.14 1rm3 s ILE 30 CO -0.02 0.17 0.47 0.21 0.00 0.00 0.00 174.94 175.77 1rm3 s ASN 31 N 0.38 5.87 -0.26 3.58 2.47 -0.12 -0.77 114.94 126.10 1rm3 s ASN 31 Ca -0.05 -2.27 -0.06 0.00 0.42 0.00 0.00 52.86 50.90 1rm3 s ASN 31 Cb -0.08 -2.04 -0.00 0.00 -1.45 0.00 0.00 41.25 37.68 1rm3 s ASN 31 CO -0.00 -0.61 0.03 -0.62 -3.72 0.00 0.00 177.10 172.18 1rm3 s ASP 32 N 2.22 4.84 0.40 -4.21 -1.08 -0.51 -2.44 116.67 115.89 1rm3 s ASP 32 Ca 0.11 -0.51 0.07 0.00 -0.52 0.00 0.00 52.55 51.69 1rm3 s ASP 32 Cb -0.22 -1.84 0.84 0.00 -1.46 0.00 0.00 42.92 40.25 1rm3 s ASP 32 CO -0.03 -0.10 2.03 0.00 0.52 0.00 0.00 175.17 177.59 1rm3 h ALA 33 N 8.19 1.66 0.00 3.66 0.00 -1.93 -3.07 119.26 127.76 1rm3 h ALA 33 Ca -0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1rm3 h ALA 33 Cb 1.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rm3 h ALA 33 CO 0.60 0.29 -0.11 0.78 0.00 0.00 0.00 179.25 180.80 1rm3 h GLY 34 N 0.58 0.00 0.00 0.00 0.00 -1.94 -3.49 103.07 98.22 1rm3 h GLY 34 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1rm3 h GLY 34 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1rm3 n GLY 36 N -0.12 1.98 0.06 4.60 0.00 -1.16 -4.62 105.19 105.94 1rm3 n GLY 36 Ca -0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1rm3 n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rm3 h VAL 37 N 0.00 1.42 -0.96 1.61 2.07 -1.89 -1.82 116.25 116.67 1rm3 h VAL 37 Ca 0.00 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1rm3 h VAL 37 Cb 0.00 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1rm3 h VAL 37 CO 0.00 0.33 0.63 0.11 0.02 0.00 0.00 177.57 178.66 1rm3 h LYS 38 N -0.49 1.17 -0.23 1.57 1.57 -1.94 -1.32 116.57 116.89 1rm3 h LYS 38 Ca 0.00 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1rm3 h LYS 38 Cb 0.55 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1rm3 h LYS 38 CO 0.00 0.77 -0.05 0.37 -0.57 0.00 0.00 179.45 179.98 1rm3 h GLN 39 N 1.20 0.45 -0.85 3.15 4.15 -1.81 -0.99 115.11 120.41 1rm3 h GLN 39 Ca 0.39 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1rm3 h GLN 39 Cb 0.03 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1rm3 h GLN 39 CO -0.12 0.67 0.50 0.00 -1.93 0.00 0.00 178.83 177.95 1rm3 h ALA 40 N 0.76 1.09 -0.29 3.38 0.00 -0.96 0.08 119.26 123.32 1rm3 h ALA 40 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1rm3 h ALA 40 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rm3 h ALA 40 CO 0.02 0.56 -0.10 1.03 0.00 0.00 0.00 179.25 180.76 1rm3 h SER 41 N 1.17 0.59 0.19 0.00 0.87 -1.20 -2.32 113.55 112.85 1rm3 h SER 41 Ca 0.30 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1rm3 h SER 41 Cb -0.02 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1rm3 h SER 41 CO -0.05 0.84 -0.09 -0.74 -0.53 0.00 0.00 176.83 176.25 1rm3 h HIS 42 N 0.33 -0.24 0.00 2.24 6.17 -0.90 -2.05 115.15 120.70 1rm3 h HIS 42 Ca 0.07 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1rm3 h HIS 42 Cb 0.60 0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.61 1rm3 h HIS 42 CO 0.06 0.06 0.00 -0.07 0.71 0.00 0.00 177.93 178.69 1rm3 h LEU 43 N -0.55 0.00 0.18 0.26 3.38 -1.07 0.10 115.31 117.61 1rm3 h LEU 43 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1rm3 h LEU 43 Cb 0.41 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1rm3 h LEU 43 CO 0.04 0.00 -1.41 0.25 0.09 0.00 0.00 178.44 177.41 1rm3 h LEU 44 N 0.00 0.59 -0.04 1.67 5.85 -1.33 -3.36 115.31 118.69 1rm3 h LEU 44 Ca 0.00 -0.66 -0.16 0.00 0.84 0.00 0.00 57.88 57.90 1rm3 h LEU 44 Cb 0.32 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.17 1rm3 h LEU 44 CO 0.00 1.53 -0.60 0.50 -0.34 0.00 0.00 178.44 179.53 1rm3 h LYS 45 N 0.10 0.47 -4.97 1.25 3.11 -0.67 -3.41 116.57 112.45 1rm3 h LYS 45 Ca -0.21 -0.46 -0.66 0.00 -2.81 0.00 0.00 60.65 56.51 1rm3 h LYS 45 Cb 2.06 0.12 -0.27 0.00 -1.00 0.00 0.00 32.23 33.13 1rm3 h LYS 45 CO 0.22 1.10 -0.71 0.71 -2.81 0.00 0.00 179.45 177.97 1rm3 s TYR 46 N -3.40 2.99 -0.09 1.91 2.02 0.30 -1.14 117.35 119.94 1rm3 s TYR 46 Ca -0.13 -0.92 -0.00 0.00 -0.37 0.00 0.00 57.07 55.65 1rm3 s TYR 46 Cb 0.05 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1rm3 s TYR 46 CO 0.83 -0.54 -0.07 0.34 -1.57 0.00 0.00 175.55 174.54 1rm3 s ASP 47 N 1.49 1.91 0.62 2.29 -1.08 -1.23 -4.52 116.67 116.15 1rm3 s ASP 47 Ca 0.05 -0.25 0.41 0.00 -0.52 0.00 0.00 52.55 52.24 1rm3 s ASP 47 Cb -0.15 -0.74 2.08 0.00 -1.46 0.00 0.00 42.92 42.66 1rm3 s ASP 47 CO -0.02 -0.10 2.24 0.28 0.52 0.00 0.00 175.17 178.08 1rm3 h SER 48 N 7.91 0.00 0.00 -0.34 0.02 -1.95 0.91 113.55 120.11 1rm3 h SER 48 Ca -0.29 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.34 1rm3 h SER 48 Cb 1.14 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 1rm3 h SER 48 CO 0.40 0.00 -2.09 -0.38 -1.14 0.00 0.00 176.83 173.62 1rm3 n ILE 49 N -3.05 1.07 0.73 3.27 5.41 -1.26 -4.65 119.36 120.88 1rm3 n ILE 49 Ca -0.02 -0.31 0.13 0.00 1.00 0.00 0.00 62.75 63.55 1rm3 n ILE 49 Cb 0.14 -1.61 0.36 0.00 -0.71 0.00 0.00 39.64 37.82 1rm3 n ILE 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1rm3 n LEU 50 N -3.67 0.58 0.00 1.39 4.77 -1.23 -5.05 117.00 113.79 1rm3 n LEU 50 Ca -0.37 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1rm3 n LEU 50 Cb 0.79 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1rm3 n LEU 50 CO 0.06 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1rm3 n GLY 51 N 1.38 -1.07 3.67 -0.72 0.00 0.31 -4.84 105.19 103.93 1rm3 n GLY 51 Ca 0.05 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1rm3 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rm3 s THR 52 N -1.05 3.72 -0.07 2.61 2.01 -1.26 -3.48 115.64 118.12 1rm3 s THR 52 Ca 0.00 1.01 -0.33 0.00 0.31 0.00 0.00 61.69 62.68 1rm3 s THR 52 Cb 0.00 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 1rm3 s THR 52 CO 0.00 -0.04 1.94 0.33 -0.69 0.00 0.00 174.62 176.15 1rm3 n PHE 53 N 6.13 2.34 -2.41 4.92 7.35 -0.29 -4.85 117.46 130.64 1rm3 n PHE 53 Ca 0.15 -0.10 -0.42 0.00 -0.76 0.00 0.00 57.45 56.31 1rm3 n PHE 53 Cb 0.43 -2.70 -0.00 0.00 0.35 0.00 0.00 39.48 37.56 1rm3 n PHE 53 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1rm3 n ASP 54 N 7.27 4.69 -3.57 -2.13 2.03 -1.26 -4.80 116.55 118.78 1rm3 n ASP 54 Ca 0.23 -2.90 -0.07 0.00 0.52 0.00 0.00 54.79 52.57 1rm3 n ASP 54 Cb 0.33 -1.73 -0.03 0.00 -0.72 0.00 0.00 41.12 38.97 1rm3 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rm3 s ALA 55 N 4.28 -1.96 -0.48 -1.67 0.00 -1.26 -5.11 121.76 115.55 1rm3 s ALA 55 Ca 0.53 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.68 1rm3 s ALA 55 Cb 0.06 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.87 1rm3 s ALA 55 CO 0.05 -0.48 1.12 0.34 0.00 0.00 0.00 175.76 176.79 1rm3 s ASP 56 N -1.76 6.61 -0.13 0.00 -1.08 -1.26 -4.90 116.67 114.15 1rm3 s ASP 56 Ca 0.04 0.41 0.03 0.00 -0.52 0.00 0.00 52.55 52.51 1rm3 s ASP 56 Cb -0.01 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.92 1rm3 s ASP 56 CO -0.04 -1.25 -0.22 -0.69 0.52 0.00 0.00 175.17 173.49 1rm3 s VAL 57 N 4.42 2.05 0.26 1.11 1.01 -1.26 -0.40 120.40 127.59 1rm3 s VAL 57 Ca 0.47 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 1rm3 s VAL 57 Cb -0.07 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1rm3 s VAL 57 CO 0.31 0.55 0.50 -1.59 0.00 0.00 0.00 175.10 174.87 1rm3 s LYS 58 N 0.74 1.61 0.39 2.72 -2.85 -0.93 -5.00 119.74 116.43 1rm3 s LYS 58 Ca -0.09 -1.29 -0.15 0.00 -1.00 0.00 0.00 55.97 53.44 1rm3 s LYS 58 Cb -0.16 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 36.01 1rm3 s LYS 58 CO -0.00 -0.68 0.81 0.95 0.10 0.00 0.00 175.35 176.53 1rm3 s THR 59 N -3.87 4.65 -0.34 3.79 -4.23 -1.26 -1.13 115.64 113.26 1rm3 s THR 59 Ca 0.22 0.96 0.02 0.00 -1.18 0.00 0.00 61.69 61.71 1rm3 s THR 59 Cb -0.01 -3.66 0.10 0.00 1.34 0.00 0.00 72.50 70.27 1rm3 s THR 59 CO 0.10 -0.38 0.08 0.00 -0.54 0.00 0.00 174.62 173.89 1rm3 s ALA 60 N -2.22 2.34 0.00 3.99 0.00 0.18 -4.75 121.76 121.29 1rm3 s ALA 60 Ca 0.55 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1rm3 s ALA 60 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1rm3 s ALA 60 CO 0.23 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.69 1rm3 n GLY 60 N 4.42 1.47 0.04 0.00 0.00 -1.26 -2.37 105.19 107.49 1rm3 n GLY 60 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.43 1rm3 n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rm3 n ASP 61 N 0.42 2.00 0.00 1.61 5.68 -1.26 -4.64 116.55 120.36 1rm3 n ASP 61 Ca 0.00 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.91 1rm3 n ASP 61 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1rm3 n ASP 61 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1rm3 n SER 62 N -0.83 0.58 -3.18 -1.12 3.41 -1.22 -4.86 113.62 106.40 1rm3 n SER 62 Ca 0.06 -0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 57.76 1rm3 n SER 62 Cb 0.42 0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.64 1rm3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rm3 s ALA 63 N -0.26 -0.74 0.23 7.33 0.00 -1.00 -0.84 121.76 126.48 1rm3 s ALA 63 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1rm3 s ALA 63 Cb 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 1rm3 s ALA 63 CO 0.00 -0.98 0.03 0.96 0.00 0.00 0.00 175.76 175.77 1rm3 s ILE 64 N -2.75 0.79 0.01 0.00 -4.36 -0.86 0.48 121.20 114.50 1rm3 s ILE 64 Ca 0.16 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1rm3 s ILE 64 Cb -0.05 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 1rm3 s ILE 64 CO 0.11 -0.25 -0.02 -0.94 0.24 0.00 0.00 174.94 174.08 1rm3 s SER 65 N -3.28 0.20 -0.22 4.36 1.04 -0.28 -0.61 113.70 114.91 1rm3 s SER 65 Ca 0.30 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1rm3 s SER 65 Cb 0.07 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.25 1rm3 s SER 65 CO 0.09 -0.06 -0.08 -0.69 0.98 0.00 0.00 173.24 173.48 1rm3 s VAL 66 N -0.38 1.67 -1.47 5.02 1.01 -0.19 -2.19 120.40 123.88 1rm3 s VAL 66 Ca -0.03 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.65 1rm3 s VAL 66 Cb -0.03 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.60 1rm3 s VAL 66 CO -0.00 0.04 0.76 0.47 0.00 0.00 0.00 175.10 176.36 1rm3 n ASP 67 N 4.64 -4.53 0.00 3.32 8.00 0.46 -1.34 116.55 127.11 1rm3 n ASP 67 Ca -0.14 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1rm3 n ASP 67 Cb 0.45 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 1rm3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rm3 n GLY 68 N -1.47 3.09 3.65 0.44 0.00 -1.26 -5.02 105.19 104.61 1rm3 n GLY 68 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1rm3 n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rm3 s LYS 69 N -0.33 4.12 0.08 1.61 2.20 -0.45 -5.00 119.74 121.97 1rm3 s LYS 69 Ca 0.00 1.28 -0.26 0.00 -0.36 0.00 0.00 55.97 56.63 1rm3 s LYS 69 Cb 0.00 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 1rm3 s LYS 69 CO 0.00 -0.84 0.80 0.08 -0.36 0.00 0.00 175.35 175.03 1rm3 s VAL 70 N 3.63 4.63 -0.12 4.02 1.01 -1.26 -1.02 120.40 131.29 1rm3 s VAL 70 Ca 0.49 1.71 0.01 0.00 0.00 0.00 0.00 61.98 64.19 1rm3 s VAL 70 Cb -0.15 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1rm3 s VAL 70 CO 0.14 0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 1rm3 s ILE 71 N -0.23 1.37 0.54 2.22 1.01 0.22 -4.93 121.20 121.40 1rm3 s ILE 71 Ca 0.39 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 1rm3 s ILE 71 Cb -0.21 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1rm3 s ILE 71 CO 0.25 0.42 1.19 -0.75 0.00 0.00 0.00 174.94 176.05 1rm3 s LYS 72 N 1.34 3.30 -0.09 2.79 2.20 -0.10 -2.02 119.74 127.17 1rm3 s LYS 72 Ca 0.00 1.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.41 1rm3 s LYS 72 Cb -0.14 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 1rm3 s LYS 72 CO -0.06 -0.93 -0.10 0.08 -0.36 0.00 0.00 175.35 173.97 1rm3 s VAL 73 N -1.60 1.07 0.36 4.02 1.01 -0.02 -0.24 120.40 125.00 1rm3 s VAL 73 Ca 0.72 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.37 1rm3 s VAL 73 Cb -0.29 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 1rm3 s VAL 73 CO 0.33 0.36 0.02 0.68 0.00 0.00 0.00 175.10 176.49 1rm3 s VAL 74 N 1.14 1.61 -0.38 2.92 -7.23 0.05 -4.65 120.40 113.86 1rm3 s VAL 74 Ca -0.06 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1rm3 s VAL 74 Cb -0.14 -2.85 0.16 0.00 0.56 0.00 0.00 36.38 34.11 1rm3 s VAL 74 CO -0.02 -0.03 0.35 -0.44 -0.31 0.00 0.00 175.10 174.64 1rm3 s SER 75 N -3.58 1.54 -0.13 4.85 0.01 -1.26 -1.43 113.70 113.70 1rm3 s SER 75 Ca 0.35 -1.96 -0.02 0.00 1.31 0.00 0.00 55.95 55.63 1rm3 s SER 75 Cb 0.09 0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.60 1rm3 s SER 75 CO 0.16 -0.25 0.01 -1.81 0.41 0.00 0.00 173.24 171.76 1rm3 s ASP 76 N 1.11 2.27 0.61 2.44 1.11 -1.26 -4.97 116.67 117.98 1rm3 s ASP 76 Ca 0.20 -0.45 0.39 0.00 0.18 0.00 0.00 52.55 52.87 1rm3 s ASP 76 Cb -0.14 -0.56 1.90 0.00 1.07 0.00 0.00 42.92 45.19 1rm3 s ASP 76 CO -0.04 -0.24 2.18 -0.09 1.18 0.00 0.00 175.17 178.17 1rm3 h ARG 77 N 8.27 0.00 -4.60 8.23 2.43 -1.98 -3.38 114.38 123.35 1rm3 h ARG 77 Ca -0.19 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.26 1rm3 h ARG 77 Cb 1.12 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.47 1rm3 h ARG 77 CO 0.31 0.00 -0.20 1.21 -1.51 0.00 0.00 179.97 179.79 1rm3 s ASN 78 N -5.45 6.18 0.37 -3.80 2.47 -1.26 -4.97 114.94 108.48 1rm3 s ASN 78 Ca -0.02 -1.09 0.13 0.00 0.42 0.00 0.00 52.86 52.30 1rm3 s ASN 78 Cb 0.11 -2.22 0.95 0.00 -1.45 0.00 0.00 41.25 38.63 1rm3 s ASN 78 CO 0.48 -0.71 1.81 -0.65 -3.72 0.00 0.00 177.10 174.31 1rm3 h PRO 79 N 8.83 0.54 -0.38 0.43 0.11 -1.92 -2.25 132.00 137.35 1rm3 h PRO 79 Ca -0.28 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.91 1rm3 h PRO 79 Cb 1.11 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1rm3 h PRO 79 CO 0.89 0.36 0.27 -0.24 -0.21 0.00 0.00 178.00 179.07 1rm3 h VAL 80 N 0.55 0.82 -0.06 3.15 3.04 -1.94 -1.30 116.25 120.52 1rm3 h VAL 80 Ca 0.53 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.21 1rm3 h VAL 80 Cb 1.11 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1rm3 h VAL 80 CO -0.27 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 176.88 1rm3 n ASN 81 N -4.43 1.19 -4.77 3.17 3.02 -0.85 -4.38 115.26 108.21 1rm3 n ASN 81 Ca 0.06 -1.48 -0.40 0.00 -0.03 0.00 0.00 54.58 52.73 1rm3 n ASN 81 Cb 0.44 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 1rm3 n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rm3 s LEU 82 N -1.83 4.38 0.00 3.41 1.43 -0.49 -4.91 118.68 120.67 1rm3 s LEU 82 Ca 0.37 2.40 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 1rm3 s LEU 82 Cb 0.19 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 1rm3 s LEU 82 CO 0.31 -0.45 2.57 -0.81 0.23 0.00 0.00 176.35 178.20 1rm3 n PRO 83 N 0.64 1.36 0.02 1.29 -0.04 -1.26 -4.51 135.00 132.50 1rm3 n PRO 83 Ca 0.01 -0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 62.89 1rm3 n PRO 83 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 1rm3 n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1rm3 h TRP 84 N 2.29 -0.03 -0.42 0.54 -0.00 -1.89 -2.03 115.95 114.40 1rm3 h TRP 84 Ca 0.09 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.96 1rm3 h TRP 84 Cb 1.14 0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 30.29 1rm3 h TRP 84 CO 0.99 0.30 0.19 0.78 -0.00 0.00 0.00 178.44 180.70 1rm3 h GLY 85 N -0.37 0.66 0.66 1.49 0.00 -0.54 -0.24 103.07 104.74 1rm3 h GLY 85 Ca -0.00 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.07 1rm3 h GLY 85 CO 0.01 0.32 0.64 -0.55 0.00 0.00 0.00 176.54 176.95 1rm3 h ASP 86 N 0.54 0.98 0.52 0.19 3.32 -1.80 -1.21 116.42 118.96 1rm3 h ASP 86 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1rm3 h ASP 86 Cb 0.14 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1rm3 h ASP 86 CO -0.02 0.59 -0.29 0.23 -1.72 0.00 0.00 179.24 178.03 1rm3 n MET 87 N -4.54 0.27 -2.92 3.56 2.81 -0.77 -4.95 117.12 110.59 1rm3 n MET 87 Ca 0.16 -0.13 -0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1rm3 n MET 87 Cb 0.25 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1rm3 n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rm3 n GLY 88 N 1.43 0.23 3.71 3.03 0.00 -0.25 -4.96 105.19 108.38 1rm3 n GLY 88 Ca 0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1rm3 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm3 s ILE 89 N -3.08 3.29 -0.16 -0.61 -1.09 -0.34 -4.79 121.20 114.42 1rm3 s ILE 89 Ca 0.24 0.85 -0.23 0.00 -2.23 0.00 0.00 60.65 59.29 1rm3 s ILE 89 Cb -0.11 -3.55 -0.23 0.00 -1.58 0.00 0.00 42.46 36.99 1rm3 s ILE 89 CO 0.30 0.04 0.48 0.44 -1.23 0.00 0.00 174.94 174.97 1rm3 h ASP 90 N 7.26 0.07 -3.39 3.58 3.32 -1.44 -2.56 116.42 123.27 1rm3 h ASP 90 Ca -0.41 -0.75 -0.47 0.00 0.02 0.00 0.00 57.03 55.42 1rm3 h ASP 90 Cb 1.20 -0.02 -0.34 0.00 0.22 0.00 0.00 39.33 40.38 1rm3 h ASP 90 CO 0.89 1.34 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.73 1rm3 s LEU 91 N -7.94 1.39 -0.23 1.55 2.96 -0.90 -0.76 118.68 114.75 1rm3 s LEU 91 Ca -0.24 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 1rm3 s LEU 91 Cb 0.02 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1rm3 s LEU 91 CO 0.66 -0.04 0.12 -0.69 -1.32 0.00 0.00 176.35 175.08 1rm3 s VAL 92 N 1.00 5.05 -0.48 1.68 1.01 0.28 -1.15 120.40 127.79 1rm3 s VAL 92 Ca -0.09 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1rm3 s VAL 92 Cb -0.15 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1rm3 s VAL 92 CO -0.00 0.37 0.76 -0.63 0.00 0.00 0.00 175.10 175.59 1rm3 s ILE 93 N 1.01 4.67 -0.61 2.22 -1.09 0.12 -0.63 121.20 126.91 1rm3 s ILE 93 Ca 0.06 0.13 -0.20 0.00 -2.23 0.00 0.00 60.65 58.41 1rm3 s ILE 93 Cb -0.14 -4.34 0.09 0.00 -1.58 0.00 0.00 42.46 36.49 1rm3 s ILE 93 CO 0.04 -0.80 0.80 -0.70 -1.23 0.00 0.00 174.94 173.04 1rm3 s GLU 94 N 3.20 3.08 -0.21 2.79 2.56 0.25 -0.58 118.70 129.80 1rm3 s GLU 94 Ca 0.25 -1.07 0.12 0.00 0.00 0.00 0.00 54.97 54.28 1rm3 s GLU 94 Cb -0.14 -4.23 0.44 0.00 2.00 0.00 0.00 34.13 32.20 1rm3 s GLU 94 CO 0.19 -1.61 1.20 0.41 -0.56 0.00 0.00 175.26 174.89 1rm3 n GLY 95 N 5.28 4.88 0.09 -1.50 0.00 -0.24 -1.10 105.19 112.60 1rm3 n GLY 95 Ca -0.07 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 1rm3 n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rm3 h THR 96 N 2.19 1.01 0.00 2.61 1.35 -1.79 -3.42 112.91 114.86 1rm3 h THR 96 Ca 0.07 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 1rm3 h THR 96 Cb 1.26 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1rm3 h THR 96 CO 0.23 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1rm3 n GLY 97 N 1.42 0.61 0.00 5.82 0.00 -1.26 -4.88 105.19 106.90 1rm3 n GLY 97 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1rm3 n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rm3 n VAL 98 N -2.77 0.00 -3.16 1.61 0.24 -1.26 -4.76 118.33 108.23 1rm3 n VAL 98 Ca 0.00 -0.16 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 1rm3 n VAL 98 Cb 0.00 0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 32.94 1rm3 n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rm3 n PHE 99 N -1.41 3.49 1.05 6.34 3.72 -1.26 -4.81 117.46 124.59 1rm3 n PHE 99 Ca -0.00 -3.75 0.12 0.00 -0.05 0.00 0.00 57.45 53.77 1rm3 n PHE 99 Cb 0.04 -0.69 0.12 0.00 -0.94 0.00 0.00 39.48 38.00 1rm3 n PHE 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1rm3 n VAL 100 N 0.53 0.00 -4.39 -4.37 0.24 -1.26 -3.74 118.33 105.34 1rm3 n VAL 100 Ca 0.31 -0.39 -0.25 0.00 -2.04 0.00 0.00 64.34 61.97 1rm3 n VAL 100 Cb 0.38 1.30 -0.09 0.00 -1.47 0.00 0.00 33.84 33.96 1rm3 n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1rm3 s ASP 101 N -2.17 4.07 0.26 -1.34 -4.77 -1.26 0.15 116.67 111.61 1rm3 s ASP 101 Ca 0.26 -1.05 -0.01 0.00 -3.30 0.00 0.00 52.55 48.44 1rm3 s ASP 101 Cb 0.19 -0.48 0.54 0.00 -1.09 0.00 0.00 42.92 42.08 1rm3 s ASP 101 CO 0.39 -0.24 1.74 0.03 0.70 0.00 0.00 175.17 177.79 1rm3 h ARG 102 N 1.85 0.49 -0.43 2.11 3.08 -1.93 0.56 114.38 120.12 1rm3 h ARG 102 Ca -0.43 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 1rm3 h ARG 102 Cb 1.25 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1rm3 h ARG 102 CO 0.68 0.33 -0.05 0.22 -1.07 0.00 0.00 179.97 180.08 1rm3 h ASP 103 N 0.51 0.70 0.18 7.04 3.58 -1.96 0.26 116.42 126.72 1rm3 h ASP 103 Ca 0.46 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1rm3 h ASP 103 Cb 0.72 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1rm3 h ASP 103 CO -0.41 0.80 -0.09 1.23 -2.88 0.00 0.00 179.24 177.89 1rm3 h GLY 104 N 0.96 -0.25 0.62 -0.78 0.00 -1.57 -3.26 103.07 98.79 1rm3 h GLY 104 Ca 0.13 0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.70 1rm3 h GLY 104 CO 0.03 -0.09 0.53 0.00 0.00 0.00 0.00 176.54 177.00 1rm3 h ALA 105 N -1.56 2.06 -0.16 3.60 0.00 -1.02 -0.34 119.26 121.85 1rm3 h ALA 105 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1rm3 h ALA 105 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rm3 h ALA 105 CO 0.04 -0.28 0.20 0.78 0.00 0.00 0.00 179.25 180.00 1rm3 h GLY 106 N 0.48 0.00 1.86 0.00 0.00 -0.56 -1.08 103.07 103.76 1rm3 h GLY 106 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1rm3 h GLY 106 CO -0.14 0.00 0.01 0.50 0.00 0.00 0.00 176.54 176.91 1rm3 h LYS 107 N 0.00 0.19 -0.27 4.80 1.57 -1.09 -0.99 116.57 120.78 1rm3 h LYS 107 Ca 0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1rm3 h LYS 107 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1rm3 h LYS 107 CO -0.00 0.20 -0.20 0.45 -0.57 0.00 0.00 179.45 179.33 1rm3 h HIS 108 N 0.19 0.53 -0.27 -1.35 3.86 -1.36 -1.86 115.15 114.89 1rm3 h HIS 108 Ca 0.05 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 1rm3 h HIS 108 Cb 0.12 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1rm3 h HIS 108 CO 0.00 0.65 -0.41 -0.07 0.86 0.00 0.00 177.93 178.96 1rm3 h LEU 109 N 0.44 0.70 -1.37 2.43 3.38 -1.31 -1.67 115.31 117.91 1rm3 h LEU 109 Ca 0.07 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1rm3 h LEU 109 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1rm3 h LEU 109 CO 0.04 1.03 -0.23 -0.61 0.09 0.00 0.00 178.44 178.75 1rm3 h GLN 110 N 0.54 0.13 -0.03 1.13 4.15 -0.87 -1.35 115.11 118.80 1rm3 h GLN 110 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1rm3 h GLN 110 Cb 0.94 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1rm3 h GLN 110 CO 0.09 0.36 0.00 0.00 -1.93 0.00 0.00 178.83 177.34 1rm3 n ALA 111 N -2.49 2.60 0.00 3.38 0.00 -0.74 -4.89 120.51 118.37 1rm3 n ALA 111 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1rm3 n ALA 111 Cb 0.32 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1rm3 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm3 n GLY 112 N 0.87 0.44 3.77 0.00 0.00 -0.51 -0.00 105.19 109.76 1rm3 n GLY 112 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1rm3 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm3 s ALA 113 N -2.00 2.92 -0.22 4.61 0.00 -0.66 -3.89 121.76 122.53 1rm3 s ALA 113 Ca 0.00 0.99 0.19 0.00 0.00 0.00 0.00 51.96 53.14 1rm3 s ALA 113 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1rm3 s ALA 113 CO 0.00 -0.78 1.18 0.87 0.00 0.00 0.00 175.76 177.03 1rm3 h LYS 114 N 1.87 0.00 -2.06 0.00 1.57 -1.40 -3.38 116.57 113.18 1rm3 h LYS 114 Ca -0.50 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1rm3 h LYS 114 Cb 1.26 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.37 1rm3 h LYS 114 CO 0.59 0.22 0.15 0.21 -0.57 0.00 0.00 179.45 180.05 1rm3 s LYS 115 N -3.10 0.99 -0.06 3.15 2.20 0.06 -4.89 119.74 118.08 1rm3 s LYS 115 Ca 0.01 0.40 0.04 0.00 -0.36 0.00 0.00 55.97 56.07 1rm3 s LYS 115 Cb 0.08 0.47 -0.00 0.00 -1.51 0.00 0.00 37.83 36.87 1rm3 s LYS 115 CO 0.76 -0.27 -0.20 0.08 -0.36 0.00 0.00 175.35 175.37 1rm3 s VAL 116 N -0.83 1.67 -0.25 4.02 1.01 -0.20 -0.56 120.40 125.26 1rm3 s VAL 116 Ca -0.09 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1rm3 s VAL 116 Cb -0.01 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.98 1rm3 s VAL 116 CO 0.08 0.47 -0.11 -0.22 0.00 0.00 0.00 175.10 175.31 1rm3 s LEU 117 N 0.16 3.36 -0.11 3.92 2.96 0.20 -1.68 118.68 127.49 1rm3 s LEU 117 Ca -0.09 -1.35 -0.28 0.00 -0.22 0.00 0.00 54.13 52.19 1rm3 s LEU 117 Cb -0.14 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1rm3 s LEU 117 CO 0.04 -0.18 0.93 -0.63 -1.32 0.00 0.00 176.35 175.19 1rm3 s ILE 118 N 1.12 4.84 -0.15 6.68 1.01 -0.43 -0.58 121.20 133.68 1rm3 s ILE 118 Ca -0.08 1.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.42 1rm3 s ILE 118 Cb -0.20 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1rm3 s ILE 118 CO -0.06 0.05 2.84 0.35 0.00 0.00 0.00 174.94 178.13 1rm3 n THR 119 N 4.45 2.82 -3.61 2.92 -2.24 -0.26 -1.68 114.28 116.68 1rm3 n THR 119 Ca 0.06 -1.65 0.01 0.00 -2.27 0.00 0.00 64.05 60.20 1rm3 n THR 119 Cb 0.49 -1.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.02 1rm3 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rm3 s ALA 120 N -0.26 -2.23 0.27 6.98 0.00 -1.23 -4.95 121.76 120.34 1rm3 s ALA 120 Ca 0.45 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 1rm3 s ALA 120 Cb 0.25 0.26 -0.12 0.00 0.00 0.00 0.00 23.12 23.51 1rm3 s ALA 120 CO -0.05 -0.97 1.50 -2.30 0.00 0.00 0.00 175.76 173.93 1rm3 n PRO 121 N -0.42 2.37 -2.90 0.00 -0.02 -1.24 -3.90 135.00 128.89 1rm3 n PRO 121 Ca -0.07 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 1rm3 n PRO 121 Cb 0.62 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1rm3 n PRO 121 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1rm3 s GLY 122 N 0.37 2.35 -0.27 -1.23 0.00 -1.26 -4.93 107.32 102.35 1rm3 s GLY 122 Ca 0.66 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 1rm3 s GLY 122 CO 0.50 0.52 0.25 1.25 0.00 0.00 0.00 173.10 175.61 1rm3 s LYS 122 N -3.17 3.98 0.44 2.90 2.20 0.12 -4.82 119.74 121.39 1rm3 s LYS 122 Ca 0.59 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1rm3 s LYS 122 Cb -0.09 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1rm3 s LYS 122 CO 0.16 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 1rm3 n GLY 123 N 4.90 0.06 1.98 5.54 0.00 -1.26 -4.10 105.19 112.30 1rm3 n GLY 123 Ca -0.12 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1rm3 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rm3 n ASP 124 N 0.19 4.52 -4.60 1.61 2.03 -1.26 -4.89 116.55 114.15 1rm3 n ASP 124 Ca 0.00 -2.32 -0.36 0.00 0.52 0.00 0.00 54.79 52.64 1rm3 n ASP 124 Cb 0.00 -1.17 -0.10 0.00 -0.72 0.00 0.00 41.12 39.12 1rm3 n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rm3 s ILE 125 N 1.10 4.93 0.16 5.18 1.01 -1.26 -5.06 121.20 127.25 1rm3 s ILE 125 Ca 0.47 0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 1rm3 s ILE 125 Cb 0.22 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.32 1rm3 s ILE 125 CO 0.00 0.38 1.50 -2.16 0.00 0.00 0.00 174.94 174.67 1rm3 s PRO 126 N 0.96 4.25 -0.04 2.79 0.04 -1.26 -4.77 135.00 136.96 1rm3 s PRO 126 Ca 0.05 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1rm3 s PRO 126 Cb -0.14 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1rm3 s PRO 126 CO 0.03 -0.54 -0.22 0.95 0.04 0.00 0.00 177.00 177.26 1rm3 s THR 127 N 1.01 2.33 0.12 1.26 -4.23 -1.26 -0.35 115.64 114.53 1rm3 s THR 127 Ca 0.67 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 60.27 1rm3 s THR 127 Cb -0.42 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1rm3 s THR 127 CO 0.32 0.58 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.50 1rm3 s TYR 128 N -0.46 1.53 -0.21 3.99 1.51 0.22 -4.79 117.35 119.15 1rm3 s TYR 128 Ca 0.05 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1rm3 s TYR 128 Cb -0.12 -0.81 0.06 0.00 -0.11 0.00 0.00 41.96 40.98 1rm3 s TYR 128 CO 0.01 0.18 -0.03 0.08 -1.11 0.00 0.00 175.55 174.68 1rm3 s VAL 129 N -1.78 1.13 -0.10 0.71 1.01 -1.26 -4.14 120.40 115.97 1rm3 s VAL 129 Ca 0.08 -0.89 -0.33 0.00 0.00 0.00 0.00 61.98 60.84 1rm3 s VAL 129 Cb -0.07 -1.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 1rm3 s VAL 129 CO 0.04 -0.09 1.94 0.52 0.00 0.00 0.00 175.10 177.51 1rm3 n VAL 130 N 4.83 0.57 0.00 2.92 0.31 -1.26 -0.53 118.33 125.17 1rm3 n VAL 130 Ca -0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1rm3 n VAL 130 Cb 0.46 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1rm3 n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rm3 n GLY 131 N 4.65 0.64 0.72 2.92 0.00 -1.26 -4.92 105.19 107.94 1rm3 n GLY 131 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1rm3 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rm3 n VAL 132 N -1.16 0.00 -2.03 1.61 0.31 0.31 -4.95 118.33 112.43 1rm3 n VAL 132 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rm3 n VAL 132 Cb 0.00 -1.03 -0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1rm3 n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1rm3 n ASN 133 N -2.73 0.01 -0.17 4.52 2.04 -1.05 -4.94 115.26 112.95 1rm3 n ASN 133 Ca 0.00 -1.58 0.12 0.00 -0.44 0.00 0.00 54.58 52.68 1rm3 n ASN 133 Cb 0.43 -0.10 0.45 0.00 -2.53 0.00 0.00 39.78 38.03 1rm3 n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1rm3 h GLU 134 N 0.05 0.52 0.00 -3.83 9.09 -1.94 -0.94 114.58 117.52 1rm3 h GLU 134 Ca -0.04 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1rm3 h GLU 134 Cb 1.26 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1rm3 h GLU 134 CO -0.01 0.34 0.11 0.39 0.05 0.00 0.00 179.01 179.90 1rm3 n GLU 135 N -4.49 0.11 0.05 1.06 1.02 -1.26 -0.79 120.64 116.34 1rm3 n GLU 135 Ca 0.13 0.60 0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1rm3 n GLU 135 Cb 0.43 -1.99 0.44 0.00 -0.02 0.00 0.00 31.44 30.30 1rm3 n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rm3 n GLY 136 N -1.30 -1.56 3.77 0.62 0.00 -0.36 -4.86 105.19 101.51 1rm3 n GLY 136 Ca -0.01 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1rm3 n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rm3 s TYR 137 N -3.06 3.04 0.03 1.61 5.04 0.03 -5.04 117.35 118.99 1rm3 s TYR 137 Ca 0.11 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.28 1rm3 s TYR 137 Cb 0.15 -3.47 -0.02 0.00 0.35 0.00 0.00 41.96 38.98 1rm3 s TYR 137 CO 0.60 -1.48 -0.06 0.95 -1.34 0.00 0.00 175.55 174.22 1rm3 s THR 138 N -1.35 0.36 0.43 4.34 -4.23 -1.26 -5.02 115.64 108.91 1rm3 s THR 138 Ca 0.56 -0.96 0.28 0.00 -1.18 0.00 0.00 61.69 60.38 1rm3 s THR 138 Cb -0.33 -0.45 0.28 0.00 1.34 0.00 0.00 72.50 73.34 1rm3 s THR 138 CO 0.42 -0.40 1.84 -0.74 -0.54 0.00 0.00 174.62 175.19 1rm3 h HIS 139 N 4.64 0.00 0.00 3.99 2.76 -1.89 -1.07 115.15 123.58 1rm3 h HIS 139 Ca -0.34 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.83 1rm3 h HIS 139 Cb 1.20 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.16 1rm3 h HIS 139 CO 0.64 0.00 -0.03 0.00 -1.30 0.00 0.00 177.93 177.24 1rm3 h ALA 140 N 1.50 1.01 -2.00 5.26 0.00 -1.95 -3.42 119.26 119.65 1rm3 h ALA 140 Ca 0.00 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 1rm3 h ALA 140 Cb 0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1rm3 h ALA 140 CO 0.00 0.03 1.02 -0.51 0.00 0.00 0.00 179.25 179.80 1rm3 s ASP 141 N -5.75 6.58 0.14 0.00 1.01 -0.41 -4.88 116.67 113.36 1rm3 s ASP 141 Ca 0.01 1.40 0.13 0.00 0.71 0.00 0.00 52.55 54.80 1rm3 s ASP 141 Cb 0.09 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1rm3 s ASP 141 CO 0.55 -1.12 1.13 0.71 0.21 0.00 0.00 175.17 176.65 1rm3 h THR 142 N 5.99 0.97 -3.27 -1.27 1.35 -1.89 -3.44 112.91 111.35 1rm3 h THR 142 Ca -0.29 -2.52 -0.50 0.00 -0.55 0.00 0.00 66.41 62.55 1rm3 h THR 142 Cb 1.12 2.42 -0.39 0.00 -1.73 0.00 0.00 68.15 69.57 1rm3 h THR 142 CO 1.02 0.55 -0.77 -0.63 -0.25 0.00 0.00 175.52 175.44 1rm3 s ILE 143 N -2.84 0.59 0.38 6.82 1.01 -1.26 -1.03 121.20 124.88 1rm3 s ILE 143 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1rm3 s ILE 143 Cb 0.09 -0.91 -0.07 0.00 0.01 0.00 0.00 42.46 41.58 1rm3 s ILE 143 CO 0.79 0.03 0.00 0.27 0.00 0.00 0.00 174.94 176.03 1rm3 s ILE 144 N 1.85 2.19 0.01 2.92 -4.36 -0.68 -4.06 121.20 119.07 1rm3 s ILE 144 Ca 0.02 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 1rm3 s ILE 144 Cb -0.15 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.67 1rm3 s ILE 144 CO -0.07 -0.08 -0.15 -0.55 0.24 0.00 0.00 174.94 174.32 1rm3 s SER 145 N -3.71 1.79 -0.03 4.36 0.15 0.53 -1.32 113.70 115.47 1rm3 s SER 145 Ca 0.35 -0.34 0.20 0.00 0.70 0.00 0.00 55.95 56.87 1rm3 s SER 145 Cb 0.06 -0.17 0.65 0.00 -1.71 0.00 0.00 66.02 64.84 1rm3 s SER 145 CO 0.18 0.15 1.54 -3.20 1.20 0.00 0.00 173.24 173.11 1rm3 n ASN 146 N 2.44 4.03 -0.57 5.45 5.15 -0.68 -0.61 115.26 130.47 1rm3 n ASN 146 Ca -0.15 -2.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.69 1rm3 n ASN 146 Cb 0.55 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1rm3 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rm3 n ALA 147 N 1.41 0.00 -2.00 5.20 0.00 -1.25 -4.75 120.51 119.13 1rm3 n ALA 147 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1rm3 n ALA 147 Cb 0.68 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.15 1rm3 n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rm3 s SER 148 N -4.00 5.52 0.27 0.00 1.04 -1.26 -3.55 113.70 111.73 1rm3 s SER 148 Ca 0.00 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.16 1rm3 s SER 148 Cb 0.00 -0.72 0.39 0.00 0.10 0.00 0.00 66.02 65.79 1rm3 s SER 148 CO 0.00 -0.89 1.71 0.00 0.98 0.00 0.00 173.24 175.04 1rm3 h THR 150 N 0.46 1.29 -0.62 0.00 2.02 -1.95 -2.68 112.91 111.42 1rm3 h THR 150 Ca 0.07 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 65.68 1rm3 h THR 150 Cb 0.67 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1rm3 h THR 150 CO 0.05 0.50 0.23 0.74 0.37 0.00 0.00 175.52 177.41 1rm3 h THR 151 N 0.59 1.22 0.00 3.16 2.02 -1.81 -1.03 112.91 117.07 1rm3 h THR 151 Ca 0.05 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1rm3 h THR 151 Cb 0.94 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1rm3 h THR 151 CO 0.09 0.29 -0.15 0.78 0.37 0.00 0.00 175.52 176.89 1rm3 h ASN 152 N 0.90 0.00 0.15 4.18 4.21 -1.29 -0.86 115.58 122.87 1rm3 h ASN 152 Ca 0.21 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.42 1rm3 h ASN 152 Cb 0.20 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1rm3 h ASN 152 CO -0.02 0.15 -1.51 0.00 -1.29 0.00 0.00 177.43 174.77 1rm3 h LEU 154 N -0.13 -0.42 -0.93 0.00 5.85 -1.12 -3.38 115.31 115.17 1rm3 h LEU 154 Ca -0.31 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.53 1rm3 h LEU 154 Cb 1.90 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.92 1rm3 h LEU 154 CO 0.12 -0.02 -0.48 0.00 -0.34 0.00 0.00 178.44 177.73 1rm3 n ALA 155 N -2.70 -0.42 -0.21 1.25 0.00 -0.34 -1.37 120.51 116.73 1rm3 n ALA 155 Ca -0.06 0.84 -0.04 0.00 0.00 0.00 0.00 53.44 54.17 1rm3 n ALA 155 Cb 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.43 1rm3 n ALA 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rm3 h PRO 156 N 0.00 -0.14 0.00 0.00 0.11 -1.75 -0.08 132.00 130.14 1rm3 h PRO 156 Ca 0.21 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1rm3 h PRO 156 Cb 0.44 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1rm3 h PRO 156 CO -0.89 -0.09 -0.31 0.27 -0.21 0.00 0.00 178.00 176.77 1rm3 h PHE 157 N -0.14 0.00 -0.11 0.65 -0.00 -1.63 -3.12 116.94 112.59 1rm3 h PHE 157 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.11 1rm3 h PHE 157 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.48 1rm3 h PHE 157 CO -0.63 0.00 -0.40 0.28 -0.00 0.00 0.00 178.31 177.56 1rm3 h VAL 158 N 0.00 1.30 -0.49 0.88 2.07 -0.40 -1.14 116.25 118.47 1rm3 h VAL 158 Ca 0.00 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1rm3 h VAL 158 Cb 0.96 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1rm3 h VAL 158 CO 0.00 0.45 0.06 0.50 0.02 0.00 0.00 177.57 178.59 1rm3 h LYS 159 N 0.20 0.83 -0.51 1.57 3.64 -0.98 -0.49 116.57 120.83 1rm3 h LYS 159 Ca 0.02 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1rm3 h LYS 159 Cb 0.80 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1rm3 h LYS 159 CO 0.06 0.85 0.13 0.28 -2.27 0.00 0.00 179.45 178.49 1rm3 h VAL 160 N 0.70 1.24 0.30 2.00 2.07 -1.42 -2.33 116.25 118.81 1rm3 h VAL 160 Ca 0.15 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1rm3 h VAL 160 Cb 0.43 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1rm3 h VAL 160 CO 0.01 0.31 -0.14 -0.07 0.02 0.00 0.00 177.57 177.70 1rm3 h LEU 161 N 0.71 -0.34 -0.27 2.57 3.38 -1.00 -2.25 115.31 118.11 1rm3 h LEU 161 Ca 0.16 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1rm3 h LEU 161 Cb 0.33 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1rm3 h LEU 161 CO 0.00 -0.20 0.06 -0.78 0.09 0.00 0.00 178.44 177.61 1rm3 h ASP 162 N -0.45 0.03 1.17 -0.43 3.58 -1.04 0.58 116.42 119.85 1rm3 h ASP 162 Ca -0.04 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rm3 h ASP 162 Cb 0.34 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1rm3 h ASP 162 CO 0.07 0.05 0.00 0.06 -2.88 0.00 0.00 179.24 176.54 1rm3 h GLN 163 N 0.16 0.00 0.00 0.28 3.07 -1.45 0.92 115.11 118.09 1rm3 h GLN 163 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.78 1rm3 h GLN 163 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 1rm3 h GLN 163 CO -0.15 0.00 -1.82 1.63 0.09 0.00 0.00 178.83 178.57 1rm3 n LYS 164 N -2.69 0.80 0.00 0.06 4.76 -0.85 -4.76 118.16 115.47 1rm3 n LYS 164 Ca 0.02 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1rm3 n LYS 164 Cb 0.34 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1rm3 n LYS 164 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1rm3 n PHE 165 N -2.20 0.00 -2.10 2.13 3.72 0.20 -4.96 117.46 114.24 1rm3 n PHE 165 Ca -0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 1rm3 n PHE 165 Cb 0.58 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.10 1rm3 n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rm3 n GLY 166 N 0.16 -4.70 3.66 1.37 0.00 0.32 -1.84 105.19 104.15 1rm3 n GLY 166 Ca 0.00 0.60 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 1rm3 n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm3 s ILE 167 N -0.43 4.88 -0.16 -0.61 1.01 -1.26 0.32 121.20 124.95 1rm3 s ILE 167 Ca -0.12 1.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.90 1rm3 s ILE 167 Cb 0.01 -4.11 -0.16 0.00 0.01 0.00 0.00 42.46 38.22 1rm3 s ILE 167 CO 0.32 -0.00 0.29 0.40 0.00 0.00 0.00 174.94 175.95 1rm3 h ILE 168 N 5.28 0.90 -3.23 2.92 2.04 -0.68 -3.47 117.51 121.26 1rm3 h ILE 168 Ca -0.27 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1rm3 h ILE 168 Cb 1.12 1.87 -0.09 0.00 -0.74 0.00 0.00 36.82 38.98 1rm3 h ILE 168 CO 0.84 0.30 0.09 -1.59 0.00 0.00 0.00 178.15 177.79 1rm3 s LYS 169 N -2.16 1.51 -0.00 2.37 -2.85 -1.19 -4.86 119.74 112.55 1rm3 s LYS 169 Ca -0.18 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 53.57 1rm3 s LYS 169 Cb 0.01 0.55 0.11 0.00 -2.06 0.00 0.00 37.83 36.44 1rm3 s LYS 169 CO 0.46 -0.66 1.26 0.20 0.10 0.00 0.00 175.35 176.72 1rm3 s GLY 170 N -2.89 -0.36 0.01 0.59 0.00 0.12 -0.33 107.32 104.45 1rm3 s GLY 170 Ca 0.11 0.57 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 1rm3 s GLY 170 CO 0.01 0.72 0.33 -1.08 0.00 0.00 0.00 173.10 173.08 1rm3 s THR 171 N -2.43 0.06 0.10 0.90 -1.32 -0.08 -2.85 115.64 110.03 1rm3 s THR 171 Ca 0.16 -0.53 -0.06 0.00 -1.21 0.00 0.00 61.69 60.05 1rm3 s THR 171 Cb 0.04 -0.79 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1rm3 s THR 171 CO -0.03 -0.29 0.14 0.00 -2.21 0.00 0.00 174.62 172.23 1rm3 s MET 172 N -1.90 0.87 -0.01 7.08 0.23 -0.04 -0.93 119.30 124.61 1rm3 s MET 172 Ca -0.09 -1.13 0.01 0.00 -1.03 0.00 0.00 55.69 53.45 1rm3 s MET 172 Cb -0.03 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.59 1rm3 s MET 172 CO 0.01 -0.27 -0.03 0.99 -2.03 0.00 0.00 175.02 173.70 1rm3 s THR 173 N -3.92 0.26 -0.19 3.16 2.01 0.17 -2.07 115.64 115.06 1rm3 s THR 173 Ca 0.11 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 1rm3 s THR 173 Cb 0.06 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.30 1rm3 s THR 173 CO -0.07 0.10 -0.10 0.28 -0.69 0.00 0.00 174.62 174.14 1rm3 s THR 174 N 0.25 2.95 -0.84 -0.82 -1.32 -0.88 0.56 115.64 115.54 1rm3 s THR 174 Ca -0.02 -0.65 -0.21 0.00 -1.21 0.00 0.00 61.69 59.60 1rm3 s THR 174 Cb -0.05 -2.30 0.10 0.00 -1.51 0.00 0.00 72.50 68.73 1rm3 s THR 174 CO -0.01 0.47 1.12 -0.89 -2.21 0.00 0.00 174.62 173.11 1rm3 s THR 175 N 1.24 4.45 -0.13 5.08 2.01 -0.07 -0.36 115.64 127.87 1rm3 s THR 175 Ca 0.03 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 1rm3 s THR 175 Cb -0.14 -4.79 -0.04 0.00 0.01 0.00 0.00 72.50 67.54 1rm3 s THR 175 CO -0.04 -1.56 0.14 -2.28 -0.69 0.00 0.00 174.62 170.19 1rm3 s HIS 176 N 3.55 3.57 0.74 4.92 5.04 -0.00 -2.18 115.29 130.93 1rm3 s HIS 176 Ca 0.31 0.50 -0.14 0.00 -1.54 0.00 0.00 55.06 54.19 1rm3 s HIS 176 Cb -0.08 -1.98 0.05 0.00 0.04 0.00 0.00 32.58 30.61 1rm3 s HIS 176 CO -0.02 0.67 1.18 -1.12 -2.34 0.00 0.00 174.74 173.11 1rm3 s SER 177 N -0.82 4.18 0.81 9.88 0.01 -1.25 -0.60 113.70 125.91 1rm3 s SER 177 Ca 0.14 2.27 -0.11 0.00 1.31 0.00 0.00 55.95 59.56 1rm3 s SER 177 Cb -0.12 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.61 1rm3 s SER 177 CO 0.03 -2.27 1.09 -0.72 0.41 0.00 0.00 173.24 171.78 1rm3 s TYR 178 N -2.14 2.57 0.22 2.43 -0.85 -0.85 -4.73 117.35 114.00 1rm3 s TYR 178 Ca 0.72 1.41 -0.00 0.00 -0.52 0.00 0.00 57.07 58.68 1rm3 s TYR 178 Cb -0.27 -3.07 -0.04 0.00 0.38 0.00 0.00 41.96 38.95 1rm3 s TYR 178 CO 0.47 -1.94 0.12 0.95 -1.52 0.00 0.00 175.55 173.63 1rm3 s THR 179 N -2.95 0.20 0.22 -3.49 -4.23 -1.26 -4.77 115.64 99.35 1rm3 s THR 179 Ca 0.62 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.33 1rm3 s THR 179 Cb -0.17 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.33 1rm3 s THR 179 CO 0.56 0.00 1.58 1.23 -0.54 0.00 0.00 174.62 177.45 1rm3 h GLY 180 N 2.53 0.00 2.00 3.99 0.00 -1.98 -0.95 103.07 108.65 1rm3 h GLY 180 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1rm3 h GLY 180 CO 0.55 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.43 1rm3 n ASP 181 N -2.38 0.54 -4.92 0.19 -0.08 -1.26 -4.82 116.55 103.83 1rm3 n ASP 181 Ca -0.01 0.56 -0.25 0.00 -1.51 0.00 0.00 54.79 53.57 1rm3 n ASP 181 Cb 0.30 -0.70 0.07 0.00 2.34 0.00 0.00 41.12 43.12 1rm3 n ASP 181 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1rm3 s GLN 182 N -3.08 2.21 -0.12 -0.67 -0.21 -0.36 -4.96 119.66 112.47 1rm3 s GLN 182 Ca 0.11 -0.36 -0.06 0.00 0.02 0.00 0.00 55.36 55.08 1rm3 s GLN 182 Cb 0.14 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 1rm3 s GLN 182 CO 0.56 -1.19 0.10 1.03 -2.12 0.00 0.00 175.29 173.67 1rm3 s ARG 183 N -5.19 3.42 0.16 2.91 1.81 -1.02 -4.99 118.95 116.05 1rm3 s ARG 183 Ca 0.60 -0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.27 1rm3 s ARG 183 Cb -0.10 -3.11 0.05 0.00 -0.45 0.00 0.00 34.95 31.33 1rm3 s ARG 183 CO 0.44 0.70 1.68 1.25 -0.68 0.00 0.00 175.30 178.68 1rm3 h LEU 184 N 5.25 0.82 -8.22 2.53 5.85 -1.92 -1.52 115.31 118.11 1rm3 h LEU 184 Ca -0.52 -0.22 -0.33 0.00 0.84 0.00 0.00 57.88 57.65 1rm3 h LEU 184 Cb 1.21 -0.21 -0.22 0.00 0.37 0.00 0.00 40.66 41.80 1rm3 h LEU 184 CO 0.59 0.82 -0.75 -0.76 -0.34 0.00 0.00 178.44 178.00 1rm3 s LEU 185 N -9.62 2.23 -0.35 2.25 1.43 -1.26 -3.89 118.68 109.46 1rm3 s LEU 185 Ca -0.13 -0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 52.15 1rm3 s LEU 185 Cb 0.12 -0.31 -0.14 0.00 0.03 0.00 0.00 46.19 45.89 1rm3 s LEU 185 CO 0.80 -0.12 1.36 0.47 0.23 0.00 0.00 176.35 179.09 1rm3 n ASP 186 N 1.62 0.66 -3.48 2.29 9.92 -1.25 -4.61 116.55 121.70 1rm3 n ASP 186 Ca -0.21 0.63 -0.11 0.00 -0.53 0.00 0.00 54.79 54.56 1rm3 n ASP 186 Cb 0.55 -0.63 -0.02 0.00 -0.64 0.00 0.00 41.12 40.38 1rm3 n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rm3 s ALA 187 N 3.37 -1.49 0.12 2.24 0.00 0.18 -4.97 121.76 121.21 1rm3 s ALA 187 Ca 0.80 0.36 -0.34 0.00 0.00 0.00 0.00 51.96 52.79 1rm3 s ALA 187 Cb -1.06 0.87 -0.18 0.00 0.00 0.00 0.00 23.12 22.75 1rm3 s ALA 187 CO 0.51 -0.77 0.93 0.43 0.00 0.00 0.00 175.76 176.86 1rm3 n SER 188 N -0.37 0.02 -3.64 0.00 7.64 -1.26 -4.44 113.62 111.57 1rm3 n SER 188 Ca -0.16 1.15 -0.07 0.00 1.01 0.00 0.00 58.87 60.79 1rm3 n SER 188 Cb 0.64 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 1rm3 n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1rm3 s HIS 190 N -0.37 -0.55 0.29 1.43 5.04 -1.26 -4.90 115.29 114.96 1rm3 s HIS 190 Ca 0.77 1.24 0.03 0.00 -1.54 0.00 0.00 55.06 55.56 1rm3 s HIS 190 Cb -1.03 0.37 0.69 0.00 0.04 0.00 0.00 32.58 32.64 1rm3 s HIS 190 CO 0.55 -0.27 1.73 0.07 -2.34 0.00 0.00 174.74 174.49 1rm3 h ARG 191 N 4.92 0.52 -5.27 2.88 0.11 -1.98 -3.29 114.38 112.27 1rm3 h ARG 191 Ca -0.28 -0.03 -0.66 0.00 0.10 0.00 0.00 59.98 59.11 1rm3 h ARG 191 Cb 1.18 -0.12 -0.16 0.00 1.11 0.00 0.00 29.97 31.99 1rm3 h ARG 191 CO 0.13 0.34 0.27 0.34 0.10 0.00 0.00 179.97 181.15 1rm3 s ASP 192 N -5.29 6.25 0.38 0.08 -1.08 -1.26 -4.92 116.67 110.83 1rm3 s ASP 192 Ca -0.12 -0.80 0.18 0.00 -0.52 0.00 0.00 52.55 51.30 1rm3 s ASP 192 Cb 0.24 -2.35 1.01 0.00 -1.46 0.00 0.00 42.92 40.36 1rm3 s ASP 192 CO 0.78 -1.08 1.51 -0.07 0.52 0.00 0.00 175.17 176.83 1rm3 h LEU 193 N 10.31 0.00 0.07 -1.34 3.38 -1.99 0.25 115.31 125.99 1rm3 h LEU 193 Ca -0.27 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.35 1rm3 h LEU 193 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1rm3 h LEU 193 CO 1.04 0.00 -1.96 0.54 0.09 0.00 0.00 178.44 178.15 1rm3 n ARG 194 N -2.24 0.71 0.02 1.13 1.74 -1.26 -3.85 116.66 112.90 1rm3 n ARG 194 Ca -0.01 0.26 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 1rm3 n ARG 194 Cb 0.24 -1.72 0.43 0.00 -1.02 0.00 0.00 32.46 30.40 1rm3 n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1rm3 n ARG 195 N -3.31 0.03 0.15 5.56 1.74 -0.00 -2.36 116.66 118.47 1rm3 n ARG 195 Ca -0.28 0.18 0.13 0.00 -0.77 0.00 0.00 57.85 57.11 1rm3 n ARG 195 Cb 1.05 -1.54 0.43 0.00 -1.02 0.00 0.00 32.46 31.38 1rm3 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rm3 h ALA 196 N 2.65 1.00 -2.45 7.54 0.00 -1.44 -2.72 119.26 123.84 1rm3 h ALA 196 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1rm3 h ALA 196 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1rm3 h ALA 196 CO 0.00 0.00 0.15 1.03 0.00 0.00 0.00 179.25 180.43 1rm3 s ARG 197 N -3.26 4.24 -0.46 0.00 1.81 -1.00 -0.65 118.95 119.64 1rm3 s ARG 197 Ca 0.07 0.90 -0.43 0.00 -1.72 0.00 0.00 55.73 54.55 1rm3 s ARG 197 Cb 0.10 -2.74 -0.18 0.00 -0.45 0.00 0.00 34.95 31.69 1rm3 s ARG 197 CO 0.54 0.31 2.03 0.00 -0.68 0.00 0.00 175.30 177.49 1rm3 n ALA 198 N 0.40 0.05 -0.07 2.13 0.00 -1.26 -4.35 120.51 117.40 1rm3 n ALA 198 Ca 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1rm3 n ALA 198 Cb 0.52 -2.14 0.15 0.00 0.00 0.00 0.00 19.45 17.98 1rm3 n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rm3 h ALA 199 N 8.70 1.04 -0.00 0.00 0.00 -1.38 -2.92 119.26 124.70 1rm3 h ALA 199 Ca -0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rm3 h ALA 199 Cb 1.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rm3 h ALA 199 CO 1.05 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 180.83 1rm3 n LEU 201 N -0.89 1.24 -4.19 0.00 4.77 -1.12 -4.77 117.00 112.05 1rm3 n LEU 201 Ca 0.17 -0.85 -0.11 0.00 -0.03 0.00 0.00 56.01 55.19 1rm3 n LEU 201 Cb 0.24 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1rm3 n LEU 201 CO 0.21 0.25 -0.32 0.20 -1.33 0.00 0.00 177.39 176.41 1rm3 s ASN 202 N -0.95 0.76 -0.36 -1.43 0.01 -1.12 -5.06 114.94 106.79 1rm3 s ASN 202 Ca 0.07 -1.17 -0.13 0.00 -0.71 0.00 0.00 52.86 50.92 1rm3 s ASN 202 Cb 0.06 0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.92 1rm3 s ASN 202 CO 0.15 -0.64 0.24 -0.63 -1.51 0.00 0.00 177.10 174.71 1rm3 s ILE 203 N -3.85 5.07 -0.35 0.60 1.01 -1.26 -3.99 121.20 118.44 1rm3 s ILE 203 Ca 0.22 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1rm3 s ILE 203 Cb 0.07 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.91 1rm3 s ILE 203 CO 0.02 -0.11 0.10 -0.69 0.00 0.00 0.00 174.94 174.26 1rm3 s VAL 204 N 1.67 3.37 0.32 2.92 1.01 0.15 -4.91 120.40 124.92 1rm3 s VAL 204 Ca 0.05 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.25 1rm3 s VAL 204 Cb -0.18 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 1rm3 s VAL 204 CO 0.09 -0.31 1.18 -2.84 0.00 0.00 0.00 175.10 173.22 1rm3 s PRO 205 N 1.28 4.44 -0.04 2.72 0.02 -1.26 -0.12 135.00 142.04 1rm3 s PRO 205 Ca -0.00 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 62.71 1rm3 s PRO 205 Cb -0.21 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 31.32 1rm3 s PRO 205 CO -0.01 -0.01 0.52 -0.08 -0.33 0.00 0.00 177.00 177.09 1rm3 s THR 206 N -1.21 0.02 0.95 0.99 -1.32 0.15 -4.76 115.64 110.47 1rm3 s THR 206 Ca 0.48 -0.20 -0.11 0.00 -1.21 0.00 0.00 61.69 60.65 1rm3 s THR 206 Cb -0.34 -0.83 0.16 0.00 -1.51 0.00 0.00 72.50 69.98 1rm3 s THR 206 CO 0.44 -0.11 1.10 -0.94 -2.21 0.00 0.00 174.62 172.90 1rm3 s SER 207 N -1.21 2.74 -0.04 8.08 1.04 -1.26 -0.92 113.70 122.12 1rm3 s SER 207 Ca -0.12 1.87 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1rm3 s SER 207 Cb -0.02 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.68 1rm3 s SER 207 CO 0.07 -3.16 0.30 0.28 0.98 0.00 0.00 173.24 171.71 1rm3 s THR 208 N -2.68 0.04 -1.63 2.02 -1.32 -1.26 -4.60 115.64 106.21 1rm3 s THR 208 Ca 0.66 -0.36 0.14 0.00 -1.21 0.00 0.00 61.69 60.92 1rm3 s THR 208 Cb -0.22 -0.55 0.07 0.00 -1.51 0.00 0.00 72.50 70.30 1rm3 s THR 208 CO 0.59 -0.20 0.90 0.61 -2.21 0.00 0.00 174.62 174.31 1rm3 n GLY 209 N 1.76 -0.01 0.28 6.08 0.00 -1.26 -4.63 105.19 107.41 1rm3 n GLY 209 Ca -0.19 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.47 1rm3 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm3 h ALA 210 N 2.71 1.10 0.27 4.61 0.00 -1.95 0.32 119.26 126.31 1rm3 h ALA 210 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1rm3 h ALA 210 Cb 0.56 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rm3 h ALA 210 CO 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 179.25 178.90 1rm3 h ALA 211 N 1.55 -0.40 -0.45 0.00 0.00 -1.88 -2.16 119.26 115.91 1rm3 h ALA 211 Ca 0.42 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1rm3 h ALA 211 Cb 0.63 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1rm3 h ALA 211 CO -0.39 -0.73 -0.11 0.87 0.00 0.00 0.00 179.25 178.88 1rm3 h LYS 212 N -0.41 0.82 -0.06 0.00 1.57 -1.64 -2.86 116.57 113.99 1rm3 h LYS 212 Ca -0.03 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1rm3 h LYS 212 Cb 0.34 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1rm3 h LYS 212 CO 0.03 0.90 0.04 0.00 -0.57 0.00 0.00 179.45 179.85 1rm3 h ALA 213 N 1.13 1.91 0.00 3.86 0.00 -0.18 -0.89 119.26 125.09 1rm3 h ALA 213 Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rm3 h ALA 213 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rm3 h ALA 213 CO 0.04 -0.07 -0.04 0.28 0.00 0.00 0.00 179.25 179.45 1rm3 h VAL 214 N 0.00 0.55 0.00 0.00 2.07 -1.15 -1.06 116.25 116.67 1rm3 h VAL 214 Ca 0.03 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1rm3 h VAL 214 Cb 0.12 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1rm3 h VAL 214 CO -0.00 0.04 -0.45 0.00 0.02 0.00 0.00 177.57 177.18 1rm3 h ALA 215 N 1.96 1.02 0.00 1.67 0.00 -1.30 0.87 119.26 123.47 1rm3 h ALA 215 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1rm3 h ALA 215 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rm3 h ALA 215 CO 0.01 0.57 -0.29 -0.07 0.00 0.00 0.00 179.25 179.46 1rm3 h LEU 216 N 0.00 0.00 0.00 0.00 3.38 -1.29 -2.35 115.31 115.04 1rm3 h LEU 216 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rm3 h LEU 216 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1rm3 h LEU 216 CO 0.06 0.29 -1.71 1.33 0.09 0.00 0.00 178.44 178.50 1rm3 n VAL 217 N -3.86 0.02 -3.47 1.22 0.24 -1.10 -4.68 118.33 106.71 1rm3 n VAL 217 Ca -0.02 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.34 61.66 1rm3 n VAL 217 Cb 0.37 0.13 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 1rm3 n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rm3 n LEU 218 N -2.05 1.52 -0.43 1.34 4.77 0.28 -4.55 117.00 117.88 1rm3 n LEU 218 Ca -0.03 -4.91 0.38 0.00 -0.03 0.00 0.00 56.01 51.42 1rm3 n LEU 218 Cb 0.41 -0.02 0.65 0.00 -2.33 0.00 0.00 43.42 42.13 1rm3 n LEU 218 CO 0.32 1.94 1.18 -0.65 -1.33 0.00 0.00 177.39 178.85 1rm3 h PRO 219 N 4.81 0.01 -0.16 3.23 0.11 -1.66 0.14 132.00 138.49 1rm3 h PRO 219 Ca 0.17 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.33 1rm3 h PRO 219 Cb 0.81 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1rm3 h PRO 219 CO 0.59 0.01 0.25 -0.97 -0.21 0.00 0.00 178.00 177.67 1rm3 h ASN 220 N 0.01 0.00 -0.79 -2.05 -1.24 -1.94 -1.87 115.58 107.70 1rm3 h ASN 220 Ca 0.87 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 57.61 1rm3 h ASN 220 Cb 2.64 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 41.53 1rm3 h ASN 220 CO -0.55 0.00 0.34 0.18 -1.29 0.00 0.00 177.43 176.11 1rm3 n LEU 221 N -3.50 6.26 -4.74 0.34 4.32 0.50 -4.97 117.00 115.21 1rm3 n LEU 221 Ca 0.01 -3.29 -0.42 0.00 -0.02 0.00 0.00 56.01 52.29 1rm3 n LEU 221 Cb 0.36 -0.77 -0.01 0.00 -1.62 0.00 0.00 43.42 41.38 1rm3 n LEU 221 CO 0.23 0.85 1.21 0.29 -1.22 0.00 0.00 177.39 178.76 1rm3 n LYS 222 N -0.32 2.65 -1.18 3.23 4.76 -0.71 -2.33 118.16 124.26 1rm3 n LYS 222 Ca 0.45 0.94 -0.10 0.00 -2.87 0.00 0.00 58.31 56.73 1rm3 n LYS 222 Cb 1.45 -2.71 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1rm3 n LYS 222 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rm3 n GLY 223 N 1.95 0.93 0.00 0.72 0.00 -1.26 -4.80 105.19 102.74 1rm3 n GLY 223 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1rm3 n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rm3 n LYS 224 N -1.17 0.42 -4.28 1.61 5.02 -0.98 -5.00 118.16 113.76 1rm3 n LYS 224 Ca -0.10 -0.09 -0.16 0.00 -2.02 0.00 0.00 58.31 55.94 1rm3 n LYS 224 Cb 0.41 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1rm3 n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rm3 s LEU 225 N -3.64 2.52 0.39 -0.35 1.43 -1.26 -0.70 118.68 117.07 1rm3 s LEU 225 Ca 0.01 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 51.98 1rm3 s LEU 225 Cb 0.15 -0.50 0.06 0.00 0.03 0.00 0.00 46.19 45.92 1rm3 s LEU 225 CO 0.86 -0.24 0.79 0.21 0.23 0.00 0.00 176.35 178.20 1rm3 s ASN 226 N -3.08 0.05 0.00 2.29 3.84 -1.13 -4.38 114.94 112.52 1rm3 s ASN 226 Ca 0.17 -1.20 0.00 0.00 0.21 0.00 0.00 52.86 52.05 1rm3 s ASN 226 Cb -0.00 0.86 0.00 0.00 -0.55 0.00 0.00 41.25 41.56 1rm3 s ASN 226 CO 0.03 -1.71 0.00 0.61 -2.79 0.00 0.00 177.10 173.24 1rm3 n GLY 227 N -0.54 -2.46 3.33 1.21 0.00 -1.26 -0.86 105.19 104.61 1rm3 n GLY 227 Ca -0.09 -1.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 1rm3 n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rm3 s ILE 228 N -2.28 0.00 0.09 -0.61 -5.25 -0.88 -4.39 121.20 107.87 1rm3 s ILE 228 Ca 0.00 -1.90 0.08 0.00 -0.99 0.00 0.00 60.65 57.84 1rm3 s ILE 228 Cb 0.00 -2.53 -0.03 0.00 2.95 0.00 0.00 42.46 42.85 1rm3 s ILE 228 CO 0.00 0.00 -0.21 0.00 -1.79 0.00 0.00 174.94 172.94 1rm3 s ALA 229 N -3.44 1.83 -0.31 2.27 0.00 -0.10 -2.07 121.76 119.94 1rm3 s ALA 229 Ca 0.38 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1rm3 s ALA 229 Cb 0.02 -0.28 0.09 0.00 0.00 0.00 0.00 23.12 22.95 1rm3 s ALA 229 CO 0.24 0.38 0.04 -0.51 0.00 0.00 0.00 175.76 175.91 1rm3 s LEU 230 N -1.72 3.74 -0.10 0.00 1.43 0.52 -0.67 118.68 121.88 1rm3 s LEU 230 Ca 0.07 -1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 51.03 1rm3 s LEU 230 Cb -0.10 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 1rm3 s LEU 230 CO 0.04 -0.36 1.18 -0.13 0.23 0.00 0.00 176.35 177.31 1rm3 s ARG 231 N 1.16 4.33 0.35 1.70 1.81 0.83 -0.82 118.95 128.31 1rm3 s ARG 231 Ca 0.07 1.62 0.09 0.00 -1.72 0.00 0.00 55.73 55.79 1rm3 s ARG 231 Cb -0.19 -3.61 -0.06 0.00 -0.45 0.00 0.00 34.95 30.65 1rm3 s ARG 231 CO -0.12 -0.51 -0.00 0.14 -0.68 0.00 0.00 175.30 174.13 1rm3 s VAL 232 N 2.56 2.49 0.00 3.52 -7.23 0.23 0.30 120.40 122.26 1rm3 s VAL 232 Ca 0.54 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1rm3 s VAL 232 Cb -0.23 -2.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.85 1rm3 s VAL 232 CO 0.19 -0.18 1.38 -2.65 -0.31 0.00 0.00 175.10 173.53 1rm3 n PRO 233 N -0.94 0.61 -4.91 4.82 -0.02 -1.26 -3.03 135.00 130.28 1rm3 n PRO 233 Ca -0.04 -0.27 -0.27 0.00 -2.02 0.00 0.00 63.50 60.90 1rm3 n PRO 233 Cb 0.63 -1.59 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 1rm3 n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rm3 s THR 234 N 2.08 1.73 0.29 3.45 -4.23 -1.26 -4.99 115.64 112.71 1rm3 s THR 234 Ca 0.18 -1.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1rm3 s THR 234 Cb 0.09 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.50 1rm3 s THR 234 CO 0.00 0.38 1.70 1.55 -0.54 0.00 0.00 174.62 177.71 1rm3 h PRO 235 N 5.29 0.25 -3.04 3.99 0.13 -1.88 -2.26 132.00 134.48 1rm3 h PRO 235 Ca -0.41 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 1rm3 h PRO 235 Cb 1.14 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 1rm3 h PRO 235 CO 0.46 0.62 0.11 1.21 -0.23 0.00 0.00 178.00 180.17 1rm3 s ASN 236 N -6.88 -0.46 0.00 1.44 2.47 -1.26 -4.67 114.94 105.59 1rm3 s ASN 236 Ca -0.05 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.19 1rm3 s ASN 236 Cb 0.13 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 1rm3 s ASN 236 CO 0.77 -0.89 0.00 0.52 -3.72 0.00 0.00 177.10 173.78 1rm3 n VAL 237 N -0.19 -0.79 -4.45 -5.21 0.31 -1.26 -4.87 118.33 101.87 1rm3 n VAL 237 Ca -0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.93 1rm3 n VAL 237 Cb 0.64 -0.63 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 1rm3 n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rm3 s SER 238 N -0.95 2.41 -0.10 4.52 0.01 0.30 -3.79 113.70 116.10 1rm3 s SER 238 Ca 0.00 -1.67 -0.08 0.00 1.31 0.00 0.00 55.95 55.51 1rm3 s SER 238 Cb 0.00 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.76 1rm3 s SER 238 CO 0.00 -0.95 0.25 0.54 0.41 0.00 0.00 173.24 173.49 1rm3 s VAL 239 N -3.31 -0.01 -0.12 3.43 0.11 -0.93 -1.42 120.40 118.16 1rm3 s VAL 239 Ca 0.29 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.34 1rm3 s VAL 239 Cb 0.03 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1rm3 s VAL 239 CO 0.17 0.02 0.06 0.54 -3.33 0.00 0.00 175.10 172.57 1rm3 s VAL 240 N 0.51 4.85 -0.33 2.04 0.11 0.10 -0.89 120.40 126.78 1rm3 s VAL 240 Ca -0.03 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1rm3 s VAL 240 Cb -0.05 -3.10 0.08 0.00 -1.53 0.00 0.00 36.38 31.79 1rm3 s VAL 240 CO -0.03 0.59 0.05 -0.62 -3.33 0.00 0.00 175.10 171.76 1rm3 s ASP 241 N -0.71 4.90 -0.14 3.54 2.15 0.19 -1.52 116.67 125.08 1rm3 s ASP 241 Ca 0.12 -1.71 -0.02 0.00 0.43 0.00 0.00 52.55 51.36 1rm3 s ASP 241 Cb -0.12 -1.70 -0.03 0.00 -0.30 0.00 0.00 42.92 40.78 1rm3 s ASP 241 CO 0.03 -0.36 -0.06 -0.22 -0.17 0.00 0.00 175.17 174.39 1rm3 s LEU 242 N 1.11 3.15 -0.23 -1.34 2.96 0.52 -0.66 118.68 124.19 1rm3 s LEU 242 Ca 0.02 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1rm3 s LEU 242 Cb -0.20 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 44.80 1rm3 s LEU 242 CO -0.04 0.19 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.43 1rm3 s VAL 243 N 0.20 1.57 0.09 1.68 1.01 -0.10 0.68 120.40 125.53 1rm3 s VAL 243 Ca -0.03 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 60.80 1rm3 s VAL 243 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1rm3 s VAL 243 CO 0.03 -0.07 -0.18 0.68 0.00 0.00 0.00 175.10 175.56 1rm3 s VAL 244 N 1.38 1.49 -0.32 2.92 -7.23 -0.03 -0.90 120.40 117.71 1rm3 s VAL 244 Ca -0.06 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 1rm3 s VAL 244 Cb -0.19 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1rm3 s VAL 244 CO -0.06 -0.13 0.27 -1.58 -0.31 0.00 0.00 175.10 173.29 1rm3 s GLN 245 N -1.88 3.70 0.03 4.82 0.74 0.55 -0.65 119.66 126.97 1rm3 s GLN 245 Ca 0.03 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1rm3 s GLN 245 Cb -0.10 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 1rm3 s GLN 245 CO 0.04 -0.37 0.13 0.14 -0.55 0.00 0.00 175.29 174.67 1rm3 s VAL 246 N 1.84 4.97 0.17 1.34 -7.23 -0.01 0.10 120.40 121.58 1rm3 s VAL 246 Ca 0.09 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.69 1rm3 s VAL 246 Cb -0.17 -3.35 0.07 0.00 0.56 0.00 0.00 36.38 33.49 1rm3 s VAL 246 CO 0.11 0.24 1.73 0.28 -0.31 0.00 0.00 175.10 177.15 1rm3 h SER 247 N 3.61 0.79 -3.40 4.85 0.02 0.47 -3.42 113.55 116.47 1rm3 h SER 247 Ca -0.48 -0.16 -0.59 0.00 -0.84 0.00 0.00 61.79 59.72 1rm3 h SER 247 Cb 1.17 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.42 1rm3 h SER 247 CO 0.68 0.74 0.07 -0.75 -1.14 0.00 0.00 176.83 176.42 1rm3 s LYS 248 N -5.57 4.27 0.27 3.45 2.20 -0.77 -5.03 119.74 118.56 1rm3 s LYS 248 Ca -0.13 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1rm3 s LYS 248 Cb 0.13 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 1rm3 s LYS 248 CO 0.79 -0.13 1.45 0.15 -0.36 0.00 0.00 175.35 177.25 1rm3 s LYS 249 N 1.54 4.24 0.00 4.03 1.02 -1.26 -4.83 119.74 124.48 1rm3 s LYS 249 Ca 0.30 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.64 1rm3 s LYS 249 Cb -0.16 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1rm3 s LYS 249 CO 0.12 -0.44 0.00 -2.37 -0.92 0.00 0.00 175.35 171.74 1rm3 n THR 250 N 2.00 0.00 -3.74 2.17 5.66 0.15 -5.01 114.28 115.51 1rm3 n THR 250 Ca 0.06 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.93 1rm3 n THR 250 Cb 0.40 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.10 1rm3 n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rm3 s PHE 251 N -4.05 -0.17 0.18 1.09 -0.71 -1.26 -4.48 117.98 108.58 1rm3 s PHE 251 Ca 0.00 0.14 -0.25 0.00 -1.04 0.00 0.00 56.93 55.78 1rm3 s PHE 251 Cb 0.00 0.12 0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1rm3 s PHE 251 CO 0.00 -0.47 1.48 0.00 -1.34 0.00 0.00 175.22 174.89 1rm3 n ALA 252 N 0.85 -0.44 -0.33 1.99 0.00 -1.26 -0.92 120.51 120.40 1rm3 n ALA 252 Ca -0.20 0.86 0.13 0.00 0.00 0.00 0.00 53.44 54.23 1rm3 n ALA 252 Cb 0.58 -0.24 0.34 0.00 0.00 0.00 0.00 19.45 20.14 1rm3 n ALA 252 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rm3 h GLU 253 N 0.00 0.73 -0.23 0.00 3.07 -1.97 -1.09 114.58 115.08 1rm3 h GLU 253 Ca 0.22 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.91 1rm3 h GLU 253 Cb 0.46 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1rm3 h GLU 253 CO -0.92 0.48 -0.34 1.49 -1.40 0.00 0.00 179.01 178.32 1rm3 h GLU 254 N 0.75 0.63 -0.54 2.33 4.81 -1.46 -1.95 114.58 119.16 1rm3 h GLU 254 Ca 0.53 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1rm3 h GLU 254 Cb 0.83 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1rm3 h GLU 254 CO -0.30 0.99 0.34 0.28 -0.73 0.00 0.00 179.01 179.58 1rm3 h VAL 255 N 0.33 1.09 -0.53 0.32 2.07 -0.59 -1.16 116.25 117.79 1rm3 h VAL 255 Ca 0.02 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1rm3 h VAL 255 Cb 0.92 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1rm3 h VAL 255 CO 0.08 0.12 0.19 0.78 0.02 0.00 0.00 177.57 178.77 1rm3 h ASN 256 N 0.67 0.74 -0.70 0.57 -0.26 -1.23 -2.42 115.58 112.95 1rm3 h ASN 256 Ca 0.21 -0.18 0.04 0.00 -0.56 0.00 0.00 56.30 55.80 1rm3 h ASN 256 Cb -0.02 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.01 1rm3 h ASN 256 CO -0.08 0.73 0.46 0.00 -1.06 0.00 0.00 177.43 177.48 1rm3 h ALA 257 N 1.05 1.62 -0.69 -0.83 0.00 -0.90 -0.76 119.26 118.74 1rm3 h ALA 257 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1rm3 h ALA 257 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rm3 h ALA 257 CO -0.01 0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.74 1rm3 h ALA 258 N 1.60 0.91 -0.53 0.00 0.00 -0.76 -2.24 119.26 118.24 1rm3 h ALA 258 Ca 0.28 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1rm3 h ALA 258 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1rm3 h ALA 258 CO -0.08 0.60 -0.06 0.74 0.00 0.00 0.00 179.25 180.46 1rm3 h PHE 259 N 1.02 1.07 -0.89 0.00 0.04 -0.79 -2.95 116.94 114.44 1rm3 h PHE 259 Ca 0.22 -0.21 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1rm3 h PHE 259 Cb 0.33 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1rm3 h PHE 259 CO 0.03 0.99 0.46 0.00 -0.60 0.00 0.00 178.31 179.19 1rm3 h ARG 260 N 0.84 1.25 0.12 1.51 3.08 -0.98 0.35 114.38 120.54 1rm3 h ARG 260 Ca 0.14 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1rm3 h ARG 260 Cb 0.61 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1rm3 h ARG 260 CO 0.04 0.93 -0.08 0.93 -1.07 0.00 0.00 179.97 180.72 1rm3 h GLU 261 N 1.25 -0.20 -0.61 0.04 5.08 -1.32 -0.45 114.58 118.38 1rm3 h GLU 261 Ca 0.31 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1rm3 h GLU 261 Cb 0.07 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1rm3 h GLU 261 CO -0.05 -0.13 0.30 0.77 -1.00 0.00 0.00 179.01 178.90 1rm3 h SER 262 N -0.21 0.78 -0.28 1.42 0.02 -1.34 -1.99 113.55 111.95 1rm3 h SER 262 Ca -0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1rm3 h SER 262 Cb 0.18 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1rm3 h SER 262 CO -0.00 0.68 0.14 0.00 -1.14 0.00 0.00 176.83 176.51 1rm3 h ALA 263 N 1.13 1.62 0.00 3.77 0.00 -0.70 0.29 119.26 125.37 1rm3 h ALA 263 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rm3 h ALA 263 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rm3 h ALA 263 CO -0.03 0.30 -0.23 -0.25 0.00 0.00 0.00 179.25 179.05 1rm3 n ASP 264 N -4.41 0.53 0.00 0.00 8.00 -0.20 -3.27 116.55 117.20 1rm3 n ASP 264 Ca 0.02 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1rm3 n ASP 264 Cb 0.13 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1rm3 n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rm3 n ASN 265 N -1.92 0.00 -0.27 -2.24 4.13 -0.62 -4.82 115.26 109.52 1rm3 n ASN 265 Ca 0.05 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.22 1rm3 n ASN 265 Cb 0.40 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.55 1rm3 n ASN 265 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1rm3 h GLU 266 N 0.00 -0.11 -1.02 3.52 5.08 -1.67 -2.39 114.58 117.99 1rm3 h GLU 266 Ca 0.00 0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1rm3 h GLU 266 Cb 0.00 0.02 -0.29 0.00 0.50 0.00 0.00 28.75 28.99 1rm3 h GLU 266 CO 0.00 -0.07 0.79 1.28 -1.00 0.00 0.00 179.01 180.01 1rm3 n LEU 267 N -4.85 7.34 -4.73 1.33 4.77 0.92 -4.98 117.00 116.79 1rm3 n LEU 267 Ca 0.00 -4.02 -0.42 0.00 -0.03 0.00 0.00 56.01 51.54 1rm3 n LEU 267 Cb 0.23 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1rm3 n LEU 267 CO -0.08 1.33 1.06 -0.75 -1.33 0.00 0.00 177.39 177.61 1rm3 s LYS 268 N -3.56 4.32 0.00 3.23 2.20 -0.90 -0.46 119.74 124.57 1rm3 s LYS 268 Ca 0.61 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1rm3 s LYS 268 Cb 0.49 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 1rm3 s LYS 268 CO 0.03 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 1rm3 n GLY 269 N 2.75 1.53 0.86 5.54 0.00 -1.26 -4.77 105.19 109.84 1rm3 n GLY 269 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1rm3 n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rm3 n ILE 270 N -2.00 0.22 -4.48 -0.61 2.08 -0.47 -4.25 119.36 109.85 1rm3 n ILE 270 Ca 0.00 -0.06 -0.31 0.00 0.56 0.00 0.00 62.75 62.95 1rm3 n ILE 270 Cb 0.00 -1.54 -0.11 0.00 -0.75 0.00 0.00 39.64 37.24 1rm3 n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1rm3 s LEU 271 N -6.20 2.85 0.10 1.39 2.96 0.39 -1.56 118.68 118.62 1rm3 s LEU 271 Ca -0.06 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1rm3 s LEU 271 Cb 0.02 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1rm3 s LEU 271 CO 0.07 0.24 0.06 -0.55 -1.32 0.00 0.00 176.35 174.84 1rm3 s SER 272 N -1.67 0.33 -0.09 3.68 0.15 -0.04 -4.59 113.70 111.48 1rm3 s SER 272 Ca 0.17 -1.07 -0.00 0.00 0.70 0.00 0.00 55.95 55.75 1rm3 s SER 272 Cb -0.11 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1rm3 s SER 272 CO 0.08 -0.70 -0.05 -0.69 1.20 0.00 0.00 173.24 173.08 1rm3 s VAL 273 N -3.98 0.81 -0.16 4.45 1.01 -1.26 0.20 120.40 121.46 1rm3 s VAL 273 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1rm3 s VAL 273 Cb 0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1rm3 s VAL 273 CO -0.03 0.32 -0.03 0.00 0.00 0.00 0.00 175.10 175.36 1rm3 n ASP 275 N 3.58 1.81 -4.79 0.00 8.00 -1.26 -1.80 116.55 122.08 1rm3 n ASP 275 Ca -0.17 -1.40 -0.36 0.00 0.71 0.00 0.00 54.79 53.56 1rm3 n ASP 275 Cb 0.52 0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 42.15 1rm3 n ASP 275 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rm3 s GLU 276 N -2.59 4.47 -1.21 -1.24 0.41 -1.26 -4.77 118.70 112.51 1rm3 s GLU 276 Ca 0.16 1.32 -0.18 0.00 -0.41 0.00 0.00 54.97 55.86 1rm3 s GLU 276 Cb 0.18 -2.66 0.10 0.00 -1.78 0.00 0.00 34.13 29.96 1rm3 s GLU 276 CO 0.64 0.18 1.57 -1.25 -0.49 0.00 0.00 175.26 175.91 1rm3 s PRO 277 N -2.30 3.94 0.49 0.39 0.04 -1.26 -4.95 135.00 131.35 1rm3 s PRO 277 Ca 0.53 -2.02 0.07 0.00 0.04 0.00 0.00 61.00 59.63 1rm3 s PRO 277 Cb -0.17 -5.34 0.02 0.00 0.04 0.00 0.00 34.50 29.05 1rm3 s PRO 277 CO 0.22 -2.09 0.49 -0.51 0.04 0.00 0.00 177.00 175.16 1rm3 s LEU 278 N 3.51 3.15 0.34 -3.56 1.43 -1.26 -5.15 118.68 117.14 1rm3 s LEU 278 Ca 0.48 -0.89 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1rm3 s LEU 278 Cb 0.01 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 1rm3 s LEU 278 CO 0.02 -0.94 -0.00 0.68 0.23 0.00 0.00 176.35 176.33 1rm3 s VAL 279 N -2.59 1.65 0.20 -1.59 -7.23 -1.26 -5.05 120.40 104.53 1rm3 s VAL 279 Ca 0.48 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 1rm3 s VAL 279 Cb -0.04 -2.74 0.17 0.00 0.56 0.00 0.00 36.38 34.33 1rm3 s VAL 279 CO 0.29 -0.10 1.45 -1.54 -0.31 0.00 0.00 175.10 174.88 1rm3 n SER 280 N -0.75 -0.68 0.24 4.85 3.41 -1.26 -1.18 113.62 118.25 1rm3 n SER 280 Ca -0.04 1.64 0.18 0.00 -0.26 0.00 0.00 58.87 60.38 1rm3 n SER 280 Cb 0.66 -0.34 0.88 0.00 -0.26 0.00 0.00 64.21 65.14 1rm3 n SER 280 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1rm3 h ILE 281 N 0.00 0.37 0.00 -1.33 2.10 -1.97 -0.92 117.51 115.77 1rm3 h ILE 281 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.23 1rm3 h ILE 281 Cb 0.53 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1rm3 h ILE 281 CO -0.92 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 176.62 1rm3 n ASP 282 N -3.64 0.10 -1.07 2.19 8.00 -0.33 -2.57 116.55 119.24 1rm3 n ASP 282 Ca 0.01 0.52 0.10 0.00 0.71 0.00 0.00 54.79 56.13 1rm3 n ASP 282 Cb 0.29 -0.55 0.24 0.00 -0.02 0.00 0.00 41.12 41.08 1rm3 n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1rm3 n PHE 283 N -1.61 0.68 -2.10 1.24 3.72 -0.35 -4.97 117.46 114.06 1rm3 n PHE 283 Ca 0.04 -0.41 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 1rm3 n PHE 283 Cb 0.20 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 1rm3 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1rm3 s ARG 284 N -1.11 4.34 -1.14 -1.08 0.52 -1.06 -3.14 118.95 116.27 1rm3 s ARG 284 Ca 0.38 2.21 -0.00 0.00 -0.52 0.00 0.00 55.73 57.79 1rm3 s ARG 284 Cb 0.20 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1rm3 s ARG 284 CO 0.27 -0.27 0.05 0.00 0.02 0.00 0.00 175.30 175.37 1rm3 s THR 286 N -2.71 5.08 0.23 0.00 -4.23 -1.19 -4.97 115.64 107.85 1rm3 s THR 286 Ca 0.03 1.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.73 1rm3 s THR 286 Cb -0.01 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 70.05 1rm3 s THR 286 CO 0.03 0.38 1.69 0.44 -0.54 0.00 0.00 174.62 176.62 1rm3 h ASP 287 N 6.15 0.00 -4.27 3.99 3.32 -1.93 -3.31 116.42 120.36 1rm3 h ASP 287 Ca -0.44 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.10 1rm3 h ASP 287 Cb 1.19 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.89 1rm3 h ASP 287 CO 0.72 0.48 0.29 0.68 -1.72 0.00 0.00 179.24 179.69 1rm3 s VAL 288 N -3.66 3.03 -2.84 -1.35 -7.23 -1.26 -4.75 120.40 102.33 1rm3 s VAL 288 Ca -0.01 0.33 0.25 0.00 -1.81 0.00 0.00 61.98 60.74 1rm3 s VAL 288 Cb 0.12 -2.73 0.23 0.00 0.56 0.00 0.00 36.38 34.56 1rm3 s VAL 288 CO 0.72 -0.44 1.33 -1.54 -0.31 0.00 0.00 175.10 174.87 1rm3 n SER 289 N -3.70 2.67 -3.63 4.85 3.41 -0.60 -4.63 113.62 111.98 1rm3 n SER 289 Ca 0.09 -1.87 -0.04 0.00 -0.26 0.00 0.00 58.87 56.79 1rm3 n SER 289 Cb 0.53 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 1rm3 n SER 289 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rm3 s SER 290 N -2.04 -0.85 -0.21 4.04 0.15 -1.10 -3.73 113.70 109.96 1rm3 s SER 290 Ca 0.29 1.31 0.01 0.00 0.70 0.00 0.00 55.95 58.25 1rm3 s SER 290 Cb 0.20 1.52 0.05 0.00 -1.71 0.00 0.00 66.02 66.08 1rm3 s SER 290 CO 0.33 -0.20 -0.08 -0.89 1.20 0.00 0.00 173.24 173.60 1rm3 s THR 291 N 1.84 1.53 0.09 6.45 2.01 0.04 -0.86 115.64 126.74 1rm3 s THR 291 Ca -0.09 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.56 1rm3 s THR 291 Cb -0.06 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.69 1rm3 s THR 291 CO -0.18 0.05 1.27 -0.63 -0.69 0.00 0.00 174.62 174.44 1rm3 s ILE 292 N 1.42 3.72 -0.82 1.82 -1.09 0.13 -0.23 121.20 126.15 1rm3 s ILE 292 Ca -0.03 1.25 -0.19 0.00 -2.23 0.00 0.00 60.65 59.45 1rm3 s ILE 292 Cb -0.17 -3.80 0.13 0.00 -1.58 0.00 0.00 42.46 37.04 1rm3 s ILE 292 CO -0.07 0.10 0.99 -0.62 -1.23 0.00 0.00 174.94 174.11 1rm3 s ASP 293 N 1.01 6.50 0.13 3.58 -1.08 0.70 -0.29 116.67 127.22 1rm3 s ASP 293 Ca 0.61 -1.86 -0.28 0.00 -0.52 0.00 0.00 52.55 50.49 1rm3 s ASP 293 Cb -0.32 -2.36 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 1rm3 s ASP 293 CO 0.30 -1.07 1.59 0.77 0.52 0.00 0.00 175.17 177.28 1rm3 h SER 294 N 8.88 -1.22 0.00 -0.34 4.64 -1.64 -2.15 113.55 121.71 1rm3 h SER 294 Ca 0.01 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1rm3 h SER 294 Cb 1.04 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1rm3 h SER 294 CO 1.08 -0.41 0.10 -1.54 -0.87 0.00 0.00 176.83 175.18 1rm3 n SER 295 N -5.43 0.08 -0.49 4.97 3.41 -1.26 -0.47 113.62 114.42 1rm3 n SER 295 Ca -0.04 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.13 1rm3 n SER 295 Cb 0.35 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1rm3 n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rm3 n LEU 296 N -1.54 2.02 -4.70 1.04 4.77 -0.81 -4.94 117.00 112.85 1rm3 n LEU 296 Ca -0.00 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1rm3 n LEU 296 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1rm3 n LEU 296 CO 0.01 0.38 1.13 -0.89 -1.33 0.00 0.00 177.39 176.69 1rm3 s THR 297 N -2.48 3.46 0.13 -5.08 2.01 0.38 -4.75 115.64 109.31 1rm3 s THR 297 Ca 0.18 0.94 0.05 0.00 0.31 0.00 0.00 61.69 63.17 1rm3 s THR 297 Cb 0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1rm3 s THR 297 CO 0.57 0.02 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.37 1rm3 s MET 298 N 1.97 1.00 -0.10 4.92 -1.94 -1.03 -4.80 119.30 119.33 1rm3 s MET 298 Ca 0.66 -1.31 -0.03 0.00 -1.71 0.00 0.00 55.69 53.30 1rm3 s MET 298 Cb -0.35 -0.72 0.04 0.00 2.01 0.00 0.00 34.83 35.81 1rm3 s MET 298 CO 0.29 0.12 0.05 0.08 -0.01 0.00 0.00 175.02 175.54 1rm3 s VAL 299 N -2.66 0.12 -0.26 -6.03 1.01 -1.26 -1.01 120.40 110.31 1rm3 s VAL 299 Ca 0.11 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1rm3 s VAL 299 Cb -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1rm3 s VAL 299 CO 0.02 0.05 0.11 -0.32 0.00 0.00 0.00 175.10 174.95 1rm3 s MET 300 N 2.06 3.74 -0.89 2.72 1.75 0.47 -4.47 119.30 124.69 1rm3 s MET 300 Ca 0.04 -0.43 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 1rm3 s MET 300 Cb -0.14 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 34.10 1rm3 s MET 300 CO -0.06 -0.19 0.38 0.41 -0.65 0.00 0.00 175.02 174.91 1rm3 n GLY 301 N 4.97 -0.00 4.84 2.11 0.00 -1.26 -2.29 105.19 113.56 1rm3 n GLY 301 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1rm3 n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rm3 n ASP 302 N -0.74 0.00 0.00 1.61 9.92 -1.26 -4.40 116.55 121.68 1rm3 n ASP 302 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1rm3 n ASP 302 Cb 0.57 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1rm3 n ASP 302 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1rm3 n ASP 303 N 0.00 0.65 -4.33 -2.24 5.75 -1.25 0.30 116.55 115.44 1rm3 n ASP 303 Ca 0.00 -0.86 -0.41 0.00 -0.01 0.00 0.00 54.79 53.50 1rm3 n ASP 303 Cb 0.00 0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 1rm3 n ASP 303 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1rm3 s MET 304 N -0.20 2.75 -0.18 0.11 1.75 -0.97 -0.83 119.30 121.73 1rm3 s MET 304 Ca 0.00 -1.33 -0.09 0.00 -1.25 0.00 0.00 55.69 53.02 1rm3 s MET 304 Cb 0.00 -3.85 -0.05 0.00 2.84 0.00 0.00 34.83 33.78 1rm3 s MET 304 CO 0.00 -0.90 0.13 0.08 -0.65 0.00 0.00 175.02 173.68 1rm3 s VAL 305 N 1.51 5.39 -0.18 10.11 1.01 0.17 -0.39 120.40 138.02 1rm3 s VAL 305 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1rm3 s VAL 305 Cb -0.22 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1rm3 s VAL 305 CO 0.04 0.49 -0.17 -0.75 0.00 0.00 0.00 175.10 174.72 1rm3 s LYS 306 N -0.03 3.09 -0.03 2.72 2.20 -0.18 -0.85 119.74 126.66 1rm3 s LYS 306 Ca 0.10 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1rm3 s LYS 306 Cb -0.11 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 1rm3 s LYS 306 CO -0.00 -0.17 -0.24 0.08 -0.36 0.00 0.00 175.35 174.65 1rm3 s VAL 307 N 1.26 1.93 -0.19 4.02 1.01 0.21 -2.46 120.40 126.18 1rm3 s VAL 307 Ca 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1rm3 s VAL 307 Cb -0.14 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1rm3 s VAL 307 CO -0.09 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 1rm3 s ILE 308 N -0.49 2.08 -0.05 2.22 -1.09 -1.26 -0.36 121.20 122.26 1rm3 s ILE 308 Ca 0.07 -1.06 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 1rm3 s ILE 308 Cb -0.10 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1rm3 s ILE 308 CO -0.00 0.44 -0.13 0.00 -1.23 0.00 0.00 174.94 174.02 1rm3 s ALA 309 N 1.26 1.23 0.25 9.38 0.00 -0.57 -0.21 121.76 133.09 1rm3 s ALA 309 Ca 0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 1rm3 s ALA 309 Cb -0.14 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1rm3 s ALA 309 CO -0.12 0.18 0.54 -1.58 0.00 0.00 0.00 175.76 174.78 1rm3 s TRP 310 N 0.32 3.45 -0.26 0.00 0.52 0.68 0.00 118.94 123.65 1rm3 s TRP 310 Ca -0.08 0.76 -0.19 0.00 0.02 0.00 0.00 56.10 56.61 1rm3 s TRP 310 Cb -0.12 -2.18 0.07 0.00 -1.15 0.00 0.00 33.47 30.09 1rm3 s TRP 310 CO 0.02 0.24 0.65 1.52 0.02 0.00 0.00 176.95 179.41 1rm3 s TYR 311 N -1.91 -0.86 -0.87 -1.98 1.13 -0.51 -0.78 117.35 111.58 1rm3 s TYR 311 Ca 0.45 1.89 -0.23 0.00 -1.41 0.00 0.00 57.07 57.77 1rm3 s TYR 311 Cb -0.11 0.41 0.06 0.00 -1.10 0.00 0.00 41.96 41.22 1rm3 s TYR 311 CO 0.25 -0.42 1.26 0.34 -2.51 0.00 0.00 175.55 174.47 1rm3 s ASP 312 N 0.96 6.38 0.65 -0.18 -1.08 -1.26 -0.53 116.67 121.61 1rm3 s ASP 312 Ca -0.05 -1.22 0.34 0.00 -0.52 0.00 0.00 52.55 51.11 1rm3 s ASP 312 Cb -0.05 -2.51 1.88 0.00 -1.46 0.00 0.00 42.92 40.77 1rm3 s ASP 312 CO -0.09 -1.50 2.05 -0.55 0.52 0.00 0.00 175.17 175.60 1rm3 h ASN 313 N 9.64 0.00 0.00 -0.34 -1.07 -1.92 -0.82 115.58 121.08 1rm3 h ASN 313 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1rm3 h ASN 313 Cb 1.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 1rm3 h ASN 313 CO 1.29 0.00 -0.58 -0.62 0.07 0.00 0.00 177.43 177.59 1rm3 n GLU 314 N -2.92 0.38 -0.05 4.14 1.02 -1.26 -4.23 120.64 117.72 1rm3 n GLU 314 Ca -0.02 0.31 -0.15 0.00 -0.02 0.00 0.00 57.16 57.28 1rm3 n GLU 314 Cb 0.27 -1.34 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 1rm3 n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1rm3 h TRP 315 N -0.76 0.64 -0.39 -0.32 2.91 -1.91 -1.99 115.95 114.13 1rm3 h TRP 315 Ca 0.00 -0.24 -0.03 0.00 1.13 0.00 0.00 58.89 59.75 1rm3 h TRP 315 Cb 0.58 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 1rm3 h TRP 315 CO -0.25 0.97 0.14 0.78 -1.03 0.00 0.00 178.44 179.05 1rm3 h GLY 316 N 0.13 0.65 0.96 2.65 0.00 -1.24 -0.91 103.07 105.31 1rm3 h GLY 316 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1rm3 h GLY 316 CO 0.08 0.35 0.20 -1.82 0.00 0.00 0.00 176.54 175.35 1rm3 h TYR 317 N 0.49 0.57 -0.85 5.60 3.20 -1.61 -2.51 116.97 121.87 1rm3 h TYR 317 Ca 0.13 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1rm3 h TYR 317 Cb 0.23 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1rm3 h TYR 317 CO 0.01 0.47 0.54 0.77 -1.64 0.00 0.00 178.16 178.30 1rm3 h SER 318 N 0.51 0.88 -0.55 -2.11 0.02 -1.13 0.65 113.55 111.82 1rm3 h SER 318 Ca 0.14 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1rm3 h SER 318 Cb 0.10 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1rm3 h SER 318 CO -0.02 0.59 0.36 1.56 -1.14 0.00 0.00 176.83 178.18 1rm3 h GLN 319 N 1.02 0.67 -0.43 3.45 1.08 -0.91 -0.87 115.11 119.12 1rm3 h GLN 319 Ca 0.35 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.37 1rm3 h GLN 319 Cb 0.07 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1rm3 h GLN 319 CO -0.14 0.44 -0.29 0.00 -0.95 0.00 0.00 178.83 177.89 1rm3 h ARG 320 N 0.69 0.96 -0.47 1.46 2.47 -0.51 -1.54 114.38 117.43 1rm3 h ARG 320 Ca 0.21 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 1rm3 h ARG 320 Cb 0.00 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1rm3 h ARG 320 CO -0.05 1.12 0.26 0.28 0.56 0.00 0.00 179.97 182.14 1rm3 h VAL 321 N 0.80 1.14 -0.38 2.04 2.07 0.04 0.46 116.25 122.41 1rm3 h VAL 321 Ca 0.09 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1rm3 h VAL 321 Cb 0.88 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1rm3 h VAL 321 CO 0.08 0.16 -0.04 0.58 0.02 0.00 0.00 177.57 178.36 1rm3 h VAL 322 N 0.64 1.27 -0.25 2.57 2.07 -0.83 -1.74 116.25 119.98 1rm3 h VAL 322 Ca 0.17 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1rm3 h VAL 322 Cb 0.01 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1rm3 h VAL 322 CO -0.03 0.36 0.13 0.44 0.02 0.00 0.00 177.57 178.49 1rm3 h ASP 323 N 0.52 0.33 -0.93 0.57 3.32 -0.24 0.48 116.42 120.47 1rm3 h ASP 323 Ca 0.10 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1rm3 h ASP 323 Cb 0.54 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1rm3 h ASP 323 CO 0.03 0.35 0.58 0.25 -1.72 0.00 0.00 179.24 178.73 1rm3 h LEU 324 N 0.29 1.09 -0.99 1.55 5.85 -0.91 -0.45 115.31 121.73 1rm3 h LEU 324 Ca 0.09 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1rm3 h LEU 324 Cb 0.10 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1rm3 h LEU 324 CO -0.01 0.81 0.16 0.00 -0.34 0.00 0.00 178.44 179.06 1rm3 h ALA 325 N 1.32 1.19 -0.39 1.25 0.00 -1.00 -1.34 119.26 120.29 1rm3 h ALA 325 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rm3 h ALA 325 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1rm3 h ALA 325 CO -0.07 0.56 0.10 -0.44 0.00 0.00 0.00 179.25 179.41 1rm3 h ASP 326 N 0.86 0.53 -0.04 0.00 5.19 0.52 -1.60 116.42 121.88 1rm3 h ASP 326 Ca 0.19 -0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 56.36 1rm3 h ASP 326 Cb 0.28 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1rm3 h ASP 326 CO -0.00 0.52 -0.57 0.40 -3.12 0.00 0.00 179.24 176.47 1rm3 h ILE 327 N 0.57 1.31 -0.82 0.35 2.04 -0.27 -0.94 117.51 119.75 1rm3 h ILE 327 Ca 0.13 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 1rm3 h ILE 327 Cb 0.21 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1rm3 h ILE 327 CO -0.00 0.57 0.50 0.58 0.00 0.00 0.00 178.15 179.79 1rm3 h VAL 328 N 0.48 1.23 -0.06 1.67 2.07 -0.58 0.17 116.25 121.22 1rm3 h VAL 328 Ca 0.01 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1rm3 h VAL 328 Cb 1.13 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1rm3 h VAL 328 CO 0.11 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.82 1rm3 h ALA 329 N 1.42 0.10 0.00 1.67 0.00 -1.10 -1.72 119.26 119.62 1rm3 h ALA 329 Ca 0.29 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1rm3 h ALA 329 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1rm3 h ALA 329 CO -0.06 -0.02 -0.37 -0.91 0.00 0.00 0.00 179.25 177.89 1rm3 h ASN 330 N -0.30 0.00 -0.12 0.00 2.35 -0.97 -2.67 115.58 113.86 1rm3 h ASN 330 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rm3 h ASN 330 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1rm3 h ASN 330 CO 0.03 0.37 0.00 1.17 -1.65 0.00 0.00 177.43 177.34 1rm3 n LYS 331 N -3.75 2.13 0.00 0.81 3.00 0.58 -4.81 118.16 116.12 1rm3 n LYS 331 Ca -0.01 -1.67 0.00 0.00 -0.00 0.00 0.00 58.31 56.63 1rm3 n LYS 331 Cb 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1rm3 n LYS 331 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1rm3 n TRP 332 N 0.97 0.00 -3.08 5.64 -0.00 -0.65 -4.50 117.44 115.82 1rm3 n TRP 332 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.48 1rm3 n TRP 332 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.84 1rm3 n TRP 332 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1rm3 n GLN 333 N 0.00 -2.23 0.00 5.87 -0.06 -1.26 -4.85 117.38 114.84 1rm3 n GLN 333 Ca 0.00 1.89 0.12 0.00 -2.00 0.00 0.00 57.00 57.01 1rm3 n GLN 333 Cb 0.00 -4.39 0.19 0.00 -4.06 0.00 0.00 30.24 21.98 1rm3 n GLN 333 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86