#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm6 s LYS 2 N 0.00 3.48 0.05 2.12 1.02 -1.26 -0.86 119.74 124.29 1rm6 s LYS 2 Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 1rm6 s LYS 2 Cb 0.00 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1rm6 s LYS 2 CO 0.00 0.59 0.04 -0.80 -0.92 0.00 0.00 175.35 174.26 1rm6 s ASN 3 N -2.38 0.32 0.18 2.83 0.01 -0.58 -4.88 114.94 110.45 1rm6 s ASN 3 Ca 0.35 -0.78 -0.30 0.00 -0.71 0.00 0.00 52.86 51.42 1rm6 s ASN 3 Cb -0.13 0.22 -0.09 0.00 0.41 0.00 0.00 41.25 41.67 1rm6 s ASN 3 CO 0.26 -0.57 1.33 -0.63 -1.51 0.00 0.00 177.10 175.97 1rm6 s ILE 4 N -3.35 3.22 -0.14 0.60 1.01 -1.26 -0.93 121.20 120.34 1rm6 s ILE 4 Ca 0.01 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.65 1rm6 s ILE 4 Cb 0.03 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1rm6 s ILE 4 CO -0.08 0.13 -0.15 -0.22 0.00 0.00 0.00 174.94 174.62 1rm6 s LEU 5 N 0.16 1.74 -0.08 2.97 2.96 0.86 -4.91 118.68 122.39 1rm6 s LEU 5 Ca 0.58 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1rm6 s LEU 5 Cb -0.37 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1rm6 s LEU 5 CO 0.36 -0.03 -0.19 -0.13 -1.32 0.00 0.00 176.35 175.04 1rm6 s ARG 6 N 1.36 2.79 0.31 1.98 0.52 -1.26 -1.26 118.95 123.40 1rm6 s ARG 6 Ca 0.03 -0.80 -0.19 0.00 -0.52 0.00 0.00 55.73 54.25 1rm6 s ARG 6 Cb -0.13 -2.34 0.05 0.00 0.52 0.00 0.00 34.95 33.04 1rm6 s ARG 6 CO -0.09 0.38 0.82 -0.48 0.02 0.00 0.00 175.30 175.95 1rm6 s LEU 7 N -0.14 -0.08 -0.17 2.53 2.34 -0.91 0.07 118.68 122.33 1rm6 s LEU 7 Ca -0.03 -0.89 -0.03 0.00 0.06 0.00 0.00 54.13 53.24 1rm6 s LEU 7 Cb -0.14 2.67 -0.02 0.00 -0.56 0.00 0.00 46.19 48.14 1rm6 s LEU 7 CO 0.04 -1.45 -0.06 -0.89 -1.06 0.00 0.00 176.35 172.93 1rm6 s THR 8 N -2.77 3.59 -0.13 5.48 2.01 -0.63 -0.72 115.64 122.46 1rm6 s THR 8 Ca 0.15 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1rm6 s THR 8 Cb -0.05 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1rm6 s THR 8 CO 0.09 0.48 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.16 1rm6 s LEU 9 N 0.65 1.49 -1.56 4.42 2.96 0.46 -0.22 118.68 126.88 1rm6 s LEU 9 Ca -0.03 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 1rm6 s LEU 9 Cb -0.15 -1.04 0.09 0.00 0.50 0.00 0.00 46.19 45.59 1rm6 s LEU 9 CO 0.02 -0.08 0.75 0.59 -1.32 0.00 0.00 176.35 176.32 1rm6 n ASN 10 N 4.80 -2.89 0.00 3.68 3.02 -0.08 -1.08 115.26 122.71 1rm6 n ASN 10 Ca -0.15 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1rm6 n ASN 10 Cb 0.50 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 1rm6 n ASN 10 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rm6 n GLY 11 N -1.63 0.86 3.39 7.41 0.00 -1.26 -4.99 105.19 108.97 1rm6 n GLY 11 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1rm6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rm6 s ARG 12 N -0.05 2.17 0.11 1.61 0.52 -0.24 -5.10 118.95 117.96 1rm6 s ARG 12 Ca 0.00 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.00 1rm6 s ARG 12 Cb 0.00 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.24 1rm6 s ARG 12 CO 0.00 0.57 1.31 0.00 0.02 0.00 0.00 175.30 177.19 1rm6 s ALA 13 N -0.73 3.51 0.05 2.13 0.00 -1.26 -0.40 121.76 125.05 1rm6 s ALA 13 Ca 0.12 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1rm6 s ALA 13 Cb -0.10 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1rm6 s ALA 13 CO 0.01 -0.53 -0.20 1.03 0.00 0.00 0.00 175.76 176.07 1rm6 s ARG 14 N 0.92 1.99 -0.33 0.00 1.81 0.10 -4.91 118.95 118.51 1rm6 s ARG 14 Ca 0.61 -1.03 0.02 0.00 -1.72 0.00 0.00 55.73 53.61 1rm6 s ARG 14 Cb -0.34 -2.13 0.15 0.00 -0.45 0.00 0.00 34.95 32.17 1rm6 s ARG 14 CO 0.31 0.53 0.34 -2.00 -0.68 0.00 0.00 175.30 173.80 1rm6 s GLU 15 N -1.43 0.50 0.19 3.54 2.12 -1.26 -2.15 118.70 120.21 1rm6 s GLU 15 Ca 0.14 -0.54 0.08 0.00 0.36 0.00 0.00 54.97 55.01 1rm6 s GLU 15 Cb -0.10 -0.69 -0.04 0.00 0.26 0.00 0.00 34.13 33.55 1rm6 s GLU 15 CO 0.05 -1.12 -0.16 -0.51 -0.54 0.00 0.00 175.26 172.97 1rm6 s ASP 16 N 1.84 2.63 -0.34 -1.70 -0.00 -0.39 -4.94 116.67 113.77 1rm6 s ASP 16 Ca 0.14 -0.95 -0.17 0.00 -0.00 0.00 0.00 52.55 51.57 1rm6 s ASP 16 Cb -0.15 -0.15 -0.01 0.00 -0.00 0.00 0.00 42.92 42.62 1rm6 s ASP 16 CO -0.16 -0.11 0.45 -0.22 -0.00 0.00 0.00 175.17 175.13 1rm6 s LEU 17 N -3.02 4.38 -0.04 1.23 2.96 -1.26 -0.09 118.68 122.83 1rm6 s LEU 17 Ca 0.19 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1rm6 s LEU 17 Cb -0.03 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 1rm6 s LEU 17 CO 0.07 -0.42 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.84 1rm6 s VAL 18 N 2.24 1.23 0.34 1.68 1.01 -0.11 -4.86 120.40 121.94 1rm6 s VAL 18 Ca 0.16 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1rm6 s VAL 18 Cb -0.16 -1.07 -0.12 0.00 0.00 0.00 0.00 36.38 35.03 1rm6 s VAL 18 CO 0.13 0.36 1.28 -2.65 0.00 0.00 0.00 175.10 174.22 1rm6 n PRO 19 N 3.19 2.10 0.20 2.72 -0.02 -1.26 -1.53 135.00 140.40 1rm6 n PRO 19 Ca -0.18 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 1rm6 n PRO 19 Cb 0.53 -2.32 0.66 0.00 -0.02 0.00 0.00 33.50 32.35 1rm6 n PRO 19 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rm6 h ASP 20 N 2.51 0.00 -0.50 2.55 3.45 -1.35 -1.87 116.42 121.20 1rm6 h ASP 20 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1rm6 h ASP 20 Cb 1.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 1rm6 h ASP 20 CO 0.62 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.83 1rm6 n ASN 21 N -4.49 3.29 -4.72 6.45 6.94 -1.26 -4.79 115.26 116.69 1rm6 n ASN 21 Ca -0.00 -2.18 -0.41 0.00 -0.02 0.00 0.00 54.58 51.96 1rm6 n ASN 21 Cb 0.21 -0.43 -0.04 0.00 -2.36 0.00 0.00 39.78 37.16 1rm6 n ASN 21 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1rm6 s MET 22 N -1.55 4.56 0.44 -3.83 1.75 -0.71 -4.99 119.30 114.96 1rm6 s MET 22 Ca 0.37 1.29 -0.22 0.00 -1.25 0.00 0.00 55.69 55.88 1rm6 s MET 22 Cb 0.22 -3.43 -0.09 0.00 2.84 0.00 0.00 34.83 34.36 1rm6 s MET 22 CO 0.21 0.05 1.03 -0.51 -0.65 0.00 0.00 175.02 175.15 1rm6 s LEU 23 N 0.69 4.00 0.28 4.11 1.43 -1.26 -0.66 118.68 127.27 1rm6 s LEU 23 Ca 0.47 1.95 -0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1rm6 s LEU 23 Cb -0.21 -4.38 0.50 0.00 0.03 0.00 0.00 46.19 42.13 1rm6 s LEU 23 CO 0.26 -0.58 1.88 0.25 0.23 0.00 0.00 176.35 178.39 1rm6 h LEU 24 N 2.06 0.96 -0.55 1.79 5.85 -0.61 -1.31 115.31 123.51 1rm6 h LEU 24 Ca -0.49 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1rm6 h LEU 24 Cb 1.21 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1rm6 h LEU 24 CO 0.61 0.58 0.26 0.25 -0.34 0.00 0.00 178.44 179.80 1rm6 h LEU 25 N 1.07 0.35 -0.59 2.25 5.85 -1.39 -0.11 115.31 122.73 1rm6 h LEU 25 Ca 0.44 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 59.05 1rm6 h LEU 25 Cb 0.28 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1rm6 h LEU 25 CO -0.19 0.23 -0.58 0.44 -0.34 0.00 0.00 178.44 178.00 1rm6 h ASP 26 N 0.49 0.43 -0.13 1.25 3.32 -1.67 -0.82 116.42 119.29 1rm6 h ASP 26 Ca 0.25 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1rm6 h ASP 26 Cb 0.20 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1rm6 h ASP 26 CO -0.20 0.92 0.06 0.22 -1.72 0.00 0.00 179.24 178.52 1rm6 h TYR 27 N 0.29 0.19 0.22 4.55 3.20 -0.80 0.61 116.97 125.23 1rm6 h TYR 27 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1rm6 h TYR 27 Cb 1.10 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1rm6 h TYR 27 CO 0.03 0.25 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.63 1rm6 h LEU 28 N 0.08 -0.25 -0.36 2.82 3.38 -0.88 -0.86 115.31 119.24 1rm6 h LEU 28 Ca 0.05 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1rm6 h LEU 28 Cb 0.13 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rm6 h LEU 28 CO -0.01 -0.07 -0.42 0.03 0.09 0.00 0.00 178.44 178.07 1rm6 h ARG 29 N -0.43 0.92 0.00 1.13 3.08 -1.14 -0.10 114.38 117.84 1rm6 h ARG 29 Ca -0.03 -0.51 -0.40 0.00 0.07 0.00 0.00 59.98 59.11 1rm6 h ARG 29 Cb 0.32 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 1rm6 h ARG 29 CO 0.05 1.16 -2.47 0.39 -1.07 0.00 0.00 179.97 178.03 1rm6 n GLU 30 N -4.06 0.63 -0.02 0.04 1.02 0.20 -3.07 120.64 115.37 1rm6 n GLU 30 Ca -0.03 0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 1rm6 n GLU 30 Cb 0.56 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 1rm6 n GLU 30 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1rm6 h THR 31 N -0.20 1.54 0.00 2.62 2.02 -1.18 -3.34 112.91 114.36 1rm6 h THR 31 Ca -0.60 -2.03 -0.17 0.00 0.77 0.00 0.00 66.41 64.38 1rm6 h THR 31 Cb 1.83 2.80 -0.03 0.00 -1.74 0.00 0.00 68.15 71.01 1rm6 h THR 31 CO -0.16 0.56 -1.39 0.58 0.37 0.00 0.00 175.52 175.48 1rm6 h VAL 32 N -0.45 0.50 0.00 3.16 2.07 -1.21 -3.49 116.25 116.83 1rm6 h VAL 32 Ca -0.04 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1rm6 h VAL 32 Cb 1.11 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1rm6 h VAL 32 CO 0.07 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1rm6 n GLY 33 N 1.39 0.65 3.44 2.17 0.00 -0.69 -5.01 105.19 107.14 1rm6 n GLY 33 Ca -0.09 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 1rm6 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rm6 s LEU 34 N 0.00 4.74 0.00 0.99 1.43 -0.13 -4.89 118.68 120.82 1rm6 s LEU 34 Ca 0.00 -1.43 0.22 0.00 -1.03 0.00 0.00 54.13 51.90 1rm6 s LEU 34 Cb 0.00 -2.40 0.98 0.00 0.03 0.00 0.00 46.19 44.80 1rm6 s LEU 34 CO 0.00 -1.27 1.67 0.35 0.23 0.00 0.00 176.35 177.34 1rm6 n THR 35 N 5.73 0.11 -0.24 5.49 -2.24 -1.26 -3.80 114.28 118.07 1rm6 n THR 35 Ca 0.06 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 1rm6 n THR 35 Cb 0.46 0.16 0.14 0.00 -2.10 0.00 0.00 70.33 68.99 1rm6 n THR 35 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rm6 h GLY 36 N 5.09 1.14 -4.95 3.38 0.00 -1.97 -3.40 103.07 102.35 1rm6 h GLY 36 Ca 0.00 -0.58 -0.55 0.00 0.00 0.00 0.00 47.33 46.19 1rm6 h GLY 36 CO 0.00 0.55 0.84 -1.59 0.00 0.00 0.00 176.54 176.35 1rm6 s THR 37 N -5.53 3.98 0.32 4.70 2.01 -1.26 -4.70 115.64 115.17 1rm6 s THR 37 Ca -0.11 1.29 0.08 0.00 0.31 0.00 0.00 61.69 63.26 1rm6 s THR 37 Cb 0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1rm6 s THR 37 CO 0.82 -0.04 0.21 -0.54 -0.69 0.00 0.00 174.62 174.37 1rm6 s LYS 38 N 2.80 2.59 -0.24 4.92 -0.14 -1.16 -4.90 119.74 123.61 1rm6 s LYS 38 Ca 0.60 -1.37 -0.02 0.00 -1.36 0.00 0.00 55.97 53.83 1rm6 s LYS 38 Cb -0.27 -2.36 0.02 0.00 -1.68 0.00 0.00 37.83 33.54 1rm6 s LYS 38 CO 0.23 0.15 -0.07 -1.14 -0.76 0.00 0.00 175.35 173.76 1rm6 s GLN 39 N -3.90 2.91 0.00 1.68 0.74 -1.26 -2.53 119.66 117.29 1rm6 s GLN 39 Ca 0.38 -0.93 0.09 0.00 0.05 0.00 0.00 55.36 54.96 1rm6 s GLN 39 Cb -0.05 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 1rm6 s GLN 39 CO 0.25 -0.37 0.53 0.41 -0.55 0.00 0.00 175.29 175.56 1rm6 n GLY 40 N 4.68 -0.05 2.45 2.59 0.00 -1.26 -5.06 105.19 108.55 1rm6 n GLY 40 Ca -0.17 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1rm6 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm6 n ASP 42 N -1.70 2.90 0.00 0.00 8.00 -1.26 -4.89 116.55 119.59 1rm6 n ASP 42 Ca -0.01 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1rm6 n ASP 42 Cb 0.42 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1rm6 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rm6 n GLY 43 N 1.38 0.62 2.28 0.44 0.00 -1.26 -5.04 105.19 103.61 1rm6 n GLY 43 Ca 0.19 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 1rm6 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rm6 n GLY 44 N 0.00 0.44 0.01 -0.02 0.00 -1.26 -4.93 105.19 99.43 1rm6 n GLY 44 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1rm6 n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rm6 n GLU 45 N -1.99 0.36 0.00 1.61 1.02 -1.26 -4.74 120.64 115.64 1rm6 n GLU 45 Ca -0.01 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1rm6 n GLU 45 Cb 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1rm6 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rm6 n GLY 47 N 1.54 0.93 0.30 0.00 0.00 -1.19 -1.30 105.19 105.48 1rm6 n GLY 47 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1rm6 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm6 h ALA 48 N 0.00 1.00 -0.60 4.61 0.00 -1.88 -2.01 119.26 120.38 1rm6 h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rm6 h ALA 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rm6 h ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1rm6 s THR 50 N -1.94 2.84 0.33 0.00 2.01 -0.75 -2.05 115.64 116.08 1rm6 s THR 50 Ca 0.48 0.55 0.03 0.00 0.31 0.00 0.00 61.69 63.07 1rm6 s THR 50 Cb 0.32 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1rm6 s THR 50 CO 0.22 0.03 0.11 0.68 -0.69 0.00 0.00 174.62 174.97 1rm6 s VAL 51 N 1.43 0.72 -0.11 3.82 -7.23 -0.12 -4.49 120.40 114.42 1rm6 s VAL 51 Ca 0.70 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1rm6 s VAL 51 Cb -0.42 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1rm6 s VAL 51 CO 0.31 0.00 0.03 -0.76 -0.31 0.00 0.00 175.10 174.37 1rm6 s LEU 52 N -3.47 3.73 -0.18 1.32 1.43 -0.44 -0.58 118.68 120.50 1rm6 s LEU 52 Ca 0.33 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1rm6 s LEU 52 Cb 0.06 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1rm6 s LEU 52 CO 0.15 0.34 -0.02 -0.69 0.23 0.00 0.00 176.35 176.36 1rm6 s VAL 53 N -0.63 0.94 -1.41 -1.59 1.01 0.21 -0.77 120.40 118.16 1rm6 s VAL 53 Ca 0.11 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1rm6 s VAL 53 Cb -0.12 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1rm6 s VAL 53 CO 0.02 0.01 0.62 0.47 0.00 0.00 0.00 175.10 176.22 1rm6 n ASP 54 N 4.92 -1.42 0.00 3.32 8.00 0.11 -1.86 116.55 129.62 1rm6 n ASP 54 Ca -0.11 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1rm6 n ASP 54 Cb 0.47 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 1rm6 n ASP 54 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rm6 n ASP 55 N -2.96 0.00 -4.67 -2.24 10.43 -1.26 -5.01 116.55 110.84 1rm6 n ASP 55 Ca -0.23 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 56.84 1rm6 n ASP 55 Cb 0.65 -0.74 -0.08 0.00 1.84 0.00 0.00 41.12 42.79 1rm6 n ASP 55 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1rm6 s ARG 56 N -0.23 2.46 0.54 -1.24 1.81 -0.78 -4.63 118.95 116.87 1rm6 s ARG 56 Ca 0.00 -0.91 -0.19 0.00 -1.72 0.00 0.00 55.73 52.90 1rm6 s ARG 56 Cb 0.00 -2.47 -0.06 0.00 -0.45 0.00 0.00 34.95 31.97 1rm6 s ARG 56 CO 0.00 0.52 1.12 -1.25 -0.68 0.00 0.00 175.30 175.01 1rm6 s PRO 57 N -2.41 3.40 -0.08 3.54 0.04 -1.26 -0.62 135.00 137.61 1rm6 s PRO 57 Ca 0.25 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1rm6 s PRO 57 Cb -0.11 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1rm6 s PRO 57 CO 0.18 -0.80 0.29 0.50 0.04 0.00 0.00 177.00 177.20 1rm6 s ARG 58 N -3.29 0.45 -0.46 4.56 6.06 0.25 -4.81 118.95 121.71 1rm6 s ARG 58 Ca 0.72 0.18 -0.25 0.00 -2.50 0.00 0.00 55.73 53.88 1rm6 s ARG 58 Cb -0.23 0.21 0.03 0.00 0.06 0.00 0.00 34.95 35.02 1rm6 s ARG 58 CO 0.26 -0.09 0.88 -0.51 -2.50 0.00 0.00 175.30 173.35 1rm6 s LEU 59 N -0.39 4.08 0.53 -0.88 1.43 -1.26 -0.95 118.68 121.24 1rm6 s LEU 59 Ca -0.05 0.06 0.22 0.00 -1.03 0.00 0.00 54.13 53.33 1rm6 s LEU 59 Cb -0.03 -3.13 1.45 0.00 0.03 0.00 0.00 46.19 44.50 1rm6 s LEU 59 CO 0.02 -1.01 2.15 0.00 0.23 0.00 0.00 176.35 177.74 1rm6 h ALA 60 N 9.04 1.68 0.00 4.21 0.00 -1.77 -1.80 119.26 130.61 1rm6 h ALA 60 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1rm6 h ALA 60 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rm6 h ALA 60 CO 1.01 0.06 0.00 0.00 0.00 0.00 0.00 179.25 180.32 1rm6 n SER 62 N -2.26 2.34 -3.82 0.00 7.64 -0.69 -4.88 113.62 111.95 1rm6 n SER 62 Ca 0.04 -3.74 -0.14 0.00 1.01 0.00 0.00 58.87 56.03 1rm6 n SER 62 Cb 0.33 -0.48 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 1rm6 n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rm6 s THR 63 N -3.36 0.03 0.28 0.44 2.01 -1.15 -4.91 115.64 108.98 1rm6 s THR 63 Ca 0.40 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.23 1rm6 s THR 63 Cb 0.38 -0.11 -0.09 0.00 0.01 0.00 0.00 72.50 72.69 1rm6 s THR 63 CO -0.05 0.07 0.92 -0.76 -0.69 0.00 0.00 174.62 174.11 1rm6 s LEU 64 N 0.64 4.45 0.27 4.42 1.43 -1.26 -0.33 118.68 128.31 1rm6 s LEU 64 Ca -0.06 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1rm6 s LEU 64 Cb -0.08 -3.82 0.56 0.00 0.03 0.00 0.00 46.19 42.88 1rm6 s LEU 64 CO -0.02 0.03 1.77 0.00 0.23 0.00 0.00 176.35 178.36 1rm6 h ALA 65 N 3.56 1.35 0.00 4.21 0.00 -1.09 -0.62 119.26 126.67 1rm6 h ALA 65 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1rm6 h ALA 65 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rm6 h ALA 65 CO 0.66 -0.06 0.00 0.45 0.00 0.00 0.00 179.25 180.30 1rm6 h HIS 66 N 0.67 0.00 0.00 0.00 -0.00 -1.87 -2.08 115.15 111.88 1rm6 h HIS 66 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 1rm6 h HIS 66 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1rm6 h HIS 66 CO -0.07 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 178.90 1rm6 n GLN 67 N -2.61 0.05 -0.74 2.45 6.02 -0.24 -2.98 117.38 119.33 1rm6 n GLN 67 Ca -0.00 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 1rm6 n GLN 67 Cb 0.16 -1.56 0.37 0.00 1.02 0.00 0.00 30.24 30.22 1rm6 n GLN 67 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1rm6 n VAL 68 N -1.65 2.41 -1.68 5.09 0.24 -0.78 -4.99 118.33 116.97 1rm6 n VAL 68 Ca 0.06 -1.41 -0.45 0.00 -2.04 0.00 0.00 64.34 60.50 1rm6 n VAL 68 Cb 0.31 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 1rm6 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rm6 n ALA 69 N 0.60 1.55 -0.99 2.33 0.00 -1.16 -1.59 120.51 121.25 1rm6 n ALA 69 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1rm6 n ALA 69 Cb 1.06 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1rm6 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm6 n GLY 70 N 2.94 0.33 3.88 0.00 0.00 0.11 -5.00 105.19 107.45 1rm6 n GLY 70 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1rm6 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rm6 s LYS 71 N -0.70 2.53 -0.35 1.61 1.02 -0.62 -4.88 119.74 118.35 1rm6 s LYS 71 Ca 0.00 -1.54 -0.16 0.00 0.02 0.00 0.00 55.97 54.29 1rm6 s LYS 71 Cb 0.00 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1rm6 s LYS 71 CO 0.00 -0.20 0.41 0.21 -0.92 0.00 0.00 175.35 174.84 1rm6 s LYS 72 N -4.14 3.55 -0.09 1.68 2.20 -1.26 -1.61 119.74 120.07 1rm6 s LYS 72 Ca 0.48 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1rm6 s LYS 72 Cb -0.03 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 1rm6 s LYS 72 CO 0.28 -0.58 -0.08 0.08 -0.36 0.00 0.00 175.35 174.70 1rm6 s VAL 73 N 2.12 3.60 -0.02 4.02 1.01 0.69 -0.72 120.40 131.11 1rm6 s VAL 73 Ca 0.14 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1rm6 s VAL 73 Cb -0.16 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1rm6 s VAL 73 CO 0.12 0.57 -0.06 -1.61 0.00 0.00 0.00 175.10 174.12 1rm6 s GLU 74 N -0.46 0.69 0.53 2.72 2.02 0.05 -0.90 118.70 123.34 1rm6 s GLU 74 Ca 0.07 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 54.86 1rm6 s GLU 74 Cb -0.12 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.44 1rm6 s GLU 74 CO 0.02 0.08 0.08 0.95 0.02 0.00 0.00 175.26 176.41 1rm6 s THR 75 N 0.20 1.18 0.49 3.63 -4.23 -1.26 -1.33 115.64 114.32 1rm6 s THR 75 Ca -0.02 -1.91 0.14 0.00 -1.18 0.00 0.00 61.69 58.72 1rm6 s THR 75 Cb -0.07 -2.08 0.26 0.00 1.34 0.00 0.00 72.50 71.95 1rm6 s THR 75 CO -0.00 0.00 2.12 1.62 -0.54 0.00 0.00 174.62 177.82 1rm6 h VAL 76 N 1.20 1.03 0.00 2.29 3.04 -1.90 -1.71 116.25 120.21 1rm6 h VAL 76 Ca -0.43 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1rm6 h VAL 76 Cb 1.32 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1rm6 h VAL 76 CO 0.71 0.04 0.00 -0.33 -1.01 0.00 0.00 177.57 176.97 1rm6 h GLU 77 N 0.12 0.00 0.00 4.17 3.07 -1.97 -2.67 114.58 117.30 1rm6 h GLU 77 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1rm6 h GLU 77 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1rm6 h GLU 77 CO -0.00 0.00 -0.46 -1.13 -1.40 0.00 0.00 179.01 176.01 1rm6 n SER 78 N -2.67 0.70 0.07 1.42 3.41 -0.64 -4.42 113.62 111.49 1rm6 n SER 78 Ca -0.01 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1rm6 n SER 78 Cb 0.13 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1rm6 n SER 78 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rm6 h LEU 79 N 0.00 0.38-10.30 1.04 3.38 -1.61 -3.45 115.31 104.76 1rm6 h LEU 79 Ca 0.00 -0.26 -0.50 0.00 0.09 0.00 0.00 57.88 57.20 1rm6 h LEU 79 Cb 0.73 -0.11 0.08 0.00 0.09 0.00 0.00 40.66 41.44 1rm6 h LEU 79 CO 0.00 1.00 0.38 0.00 0.09 0.00 0.00 178.44 179.91 1rm6 s ALA 80 N -3.53 2.78 -0.42 1.53 0.00 -1.26 -4.33 121.76 116.53 1rm6 s ALA 80 Ca -0.05 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 1rm6 s ALA 80 Cb 0.11 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 20.13 1rm6 s ALA 80 CO 0.83 -0.99 0.27 0.99 0.00 0.00 0.00 175.76 176.86 1rm6 s THR 81 N -2.89 4.35 0.00 0.00 2.01 -0.24 -4.92 115.64 113.95 1rm6 s THR 81 Ca 0.59 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1rm6 s THR 81 Cb -0.14 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1rm6 s THR 81 CO 0.49 -0.50 0.00 0.00 -0.69 0.00 0.00 174.62 173.92 1rm6 n GLN 82 N 4.95 0.00 0.00 4.92 1.13 -1.26 -0.92 117.38 126.20 1rm6 n GLN 82 Ca -0.10 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.10 1rm6 n GLN 82 Cb 0.43 0.00 0.59 0.00 0.11 0.00 0.00 30.24 31.37 1rm6 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rm6 n GLY 83 N 0.00 -0.29 3.68 1.08 0.00 -1.26 -4.88 105.19 103.52 1rm6 n GLY 83 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1rm6 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rm6 s THR 84 N -2.08 4.85 0.59 2.61 2.01 -0.10 -5.02 115.64 118.51 1rm6 s THR 84 Ca 0.38 1.75 -0.18 0.00 0.31 0.00 0.00 61.69 63.95 1rm6 s THR 84 Cb 0.21 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1rm6 s THR 84 CO 0.37 0.02 1.16 -0.76 -0.69 0.00 0.00 174.62 174.72 1rm6 s LEU 85 N 2.09 3.64 0.81 4.42 1.43 -1.26 -1.08 118.68 128.73 1rm6 s LEU 85 Ca 0.41 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 1rm6 s LEU 85 Cb -0.17 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.54 1rm6 s LEU 85 CO 0.14 -1.48 1.12 -0.94 0.23 0.00 0.00 176.35 175.42 1rm6 s SER 86 N -1.83 4.48 0.29 2.29 1.04 -1.26 -4.80 113.70 113.91 1rm6 s SER 86 Ca 0.74 1.11 -0.02 0.00 0.48 0.00 0.00 55.95 58.25 1rm6 s SER 86 Cb -0.26 -1.78 0.43 0.00 0.10 0.00 0.00 66.02 64.51 1rm6 s SER 86 CO 0.32 -1.96 1.95 0.11 0.98 0.00 0.00 173.24 174.65 1rm6 h LYS 87 N -1.08 1.08 -0.34 4.02 1.57 -1.95 0.03 116.57 119.89 1rm6 h LYS 87 Ca -0.47 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 1rm6 h LYS 87 Cb 1.29 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1rm6 h LYS 87 CO 0.62 0.73 0.08 1.25 -0.57 0.00 0.00 179.45 181.56 1rm6 h LEU 88 N 1.10 0.52 -0.64 2.94 5.85 -1.92 -0.65 115.31 122.51 1rm6 h LEU 88 Ca 0.29 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1rm6 h LEU 88 Cb -0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1rm6 h LEU 88 CO -0.06 0.62 0.31 1.56 -0.34 0.00 0.00 178.44 180.53 1rm6 h GLN 89 N 0.40 0.92 -0.59 1.25 4.20 -1.82 -1.79 115.11 117.68 1rm6 h GLN 89 Ca 0.11 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1rm6 h GLN 89 Cb 0.30 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1rm6 h GLN 89 CO 0.00 0.74 0.21 0.00 -0.67 0.00 0.00 178.83 179.11 1rm6 h ALA 90 N 1.14 1.25 -0.39 3.87 0.00 -0.86 -1.85 119.26 122.41 1rm6 h ALA 90 Ca 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1rm6 h ALA 90 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rm6 h ALA 90 CO -0.03 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 1rm6 h ALA 91 N 1.37 0.55 -0.76 0.00 0.00 -0.74 0.12 119.26 119.79 1rm6 h ALA 91 Ca 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1rm6 h ALA 91 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1rm6 h ALA 91 CO -0.01 0.45 0.36 0.74 0.00 0.00 0.00 179.25 180.78 1rm6 h PHE 92 N 0.60 1.08 0.10 0.00 -1.00 -1.01 -0.98 116.94 115.73 1rm6 h PHE 92 Ca 0.10 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1rm6 h PHE 92 Cb 0.67 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1rm6 h PHE 92 CO 0.05 0.79 -0.05 1.25 -1.61 0.00 0.00 178.31 178.75 1rm6 h HIS 93 N 1.08 -0.12 0.00 -0.55 2.76 -1.14 -0.17 115.15 117.00 1rm6 h HIS 93 Ca 0.26 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.33 1rm6 h HIS 93 Cb 0.12 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1rm6 h HIS 93 CO 0.01 0.28 -0.45 0.93 -1.30 0.00 0.00 177.93 177.40 1rm6 h GLU 94 N -0.57 0.00 -0.22 5.26 5.08 -0.66 -2.99 114.58 120.49 1rm6 h GLU 94 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rm6 h GLU 94 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1rm6 h GLU 94 CO 0.02 0.45 0.00 1.63 -1.00 0.00 0.00 179.01 180.11 1rm6 n LYS 95 N -3.90 2.36 -3.40 2.33 4.76 -0.38 -4.97 118.16 114.97 1rm6 n LYS 95 Ca -0.01 -2.02 -0.19 0.00 -2.87 0.00 0.00 58.31 53.21 1rm6 n LYS 95 Cb 0.49 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.26 1rm6 n LYS 95 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1rm6 n LEU 96 N 1.32 -3.32 0.00 -0.35 7.94 -0.96 -4.85 117.00 116.77 1rm6 n LEU 96 Ca 0.17 -0.48 0.12 0.00 -1.11 0.00 0.00 56.01 54.71 1rm6 n LEU 96 Cb 0.58 -2.70 0.71 0.00 0.53 0.00 0.00 43.42 42.54 1rm6 n LEU 96 CO 0.15 0.52 0.95 0.61 -1.11 0.00 0.00 177.39 178.51 1rm6 n GLY 97 N -1.66 -0.97 2.86 -3.96 0.00 -0.12 -4.66 105.19 96.68 1rm6 n GLY 97 Ca -0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1rm6 n GLY 97 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rm6 s THR 98 N -2.00 0.37 0.00 2.61 -1.32 -1.24 -4.61 115.64 109.45 1rm6 s THR 98 Ca 0.36 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1rm6 s THR 98 Cb 0.16 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 1rm6 s THR 98 CO 0.28 0.18 0.00 0.00 -2.21 0.00 0.00 174.62 172.87 1rm6 n GLN 99 N 4.05 0.00 0.20 7.08 6.02 -1.26 -4.82 117.38 128.64 1rm6 n GLN 99 Ca -0.26 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.78 1rm6 n GLN 99 Cb 0.51 0.00 0.40 0.00 1.02 0.00 0.00 30.24 32.17 1rm6 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rm6 n GLY 101 N -0.21 0.89 0.22 0.00 0.00 -1.26 -4.97 105.19 99.87 1rm6 n GLY 101 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1rm6 n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rm6 h PHE 102 N 0.00 0.95 -0.00 1.61 3.57 -2.01 -2.77 116.94 118.30 1rm6 h PHE 102 Ca 0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1rm6 h PHE 102 Cb 0.00 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1rm6 h PHE 102 CO 0.00 1.21 -0.09 0.00 -2.23 0.00 0.00 178.31 177.20 1rm6 h THR 104 N 0.31 1.16 -0.56 0.00 2.02 -1.87 -0.93 112.91 113.04 1rm6 h THR 104 Ca 0.00 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1rm6 h THR 104 Cb 0.36 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1rm6 h THR 104 CO 0.00 0.17 0.28 -0.65 0.37 0.00 0.00 175.52 175.69 1rm6 h PRO 105 N 0.38 0.52 -0.22 6.66 0.11 -1.76 0.23 132.00 137.91 1rm6 h PRO 105 Ca 0.11 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 1rm6 h PRO 105 Cb 0.13 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1rm6 h PRO 105 CO -0.01 0.35 -0.41 0.78 -0.21 0.00 0.00 178.00 178.50 1rm6 h GLY 106 N 0.54 0.57 1.07 -0.55 0.00 -1.58 -0.72 103.07 102.40 1rm6 h GLY 106 Ca 0.25 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1rm6 h GLY 106 CO -0.18 0.51 -0.11 1.98 0.00 0.00 0.00 176.54 178.73 1rm6 h MET 107 N 0.43 0.98 -0.39 4.80 -1.53 -0.64 -1.14 114.93 117.44 1rm6 h MET 107 Ca 0.04 -0.37 -0.14 0.00 -3.44 0.00 0.00 59.70 55.78 1rm6 h MET 107 Cb 0.90 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 1rm6 h MET 107 CO 0.08 1.04 -0.32 0.82 0.14 0.00 0.00 176.91 178.67 1rm6 h ILE 108 N 0.84 1.28 -0.50 1.77 2.04 -0.39 -1.05 117.51 121.50 1rm6 h ILE 108 Ca 0.13 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.40 1rm6 h ILE 108 Cb 0.68 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1rm6 h ILE 108 CO 0.05 0.50 -0.09 0.24 0.00 0.00 0.00 178.15 178.85 1rm6 h MET 109 N 0.72 0.90 -0.65 2.37 2.86 -0.98 0.16 114.93 120.32 1rm6 h MET 109 Ca 0.07 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1rm6 h MET 109 Cb 0.91 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1rm6 h MET 109 CO 0.08 0.95 0.15 0.00 1.06 0.00 0.00 176.91 179.15 1rm6 h ALA 110 N 1.08 1.04 -0.54 6.32 0.00 -1.13 -1.72 119.26 124.31 1rm6 h ALA 110 Ca 0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1rm6 h ALA 110 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rm6 h ALA 110 CO 0.04 0.63 -0.02 0.77 0.00 0.00 0.00 179.25 180.67 1rm6 h SER 111 N 0.97 0.91 -0.41 0.00 0.02 -0.64 -2.12 113.55 112.29 1rm6 h SER 111 Ca 0.20 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1rm6 h SER 111 Cb 0.36 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1rm6 h SER 111 CO 0.00 0.98 0.17 -0.08 -1.14 0.00 0.00 176.83 176.77 1rm6 h GLU 112 N 0.86 0.60 -0.84 3.45 4.57 -0.41 -0.91 114.58 121.92 1rm6 h GLU 112 Ca 0.16 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1rm6 h GLU 112 Cb 0.53 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 1rm6 h GLU 112 CO 0.03 0.55 0.54 0.00 -1.18 0.00 0.00 179.01 178.95 1rm6 h ALA 113 N 1.02 1.10 -0.31 2.92 0.00 -1.18 -1.64 119.26 121.17 1rm6 h ALA 113 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rm6 h ALA 113 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rm6 h ALA 113 CO -0.01 0.37 0.13 1.25 0.00 0.00 0.00 179.25 180.99 1rm6 h LEU 114 N 1.05 0.42 -1.25 0.00 5.85 -0.92 -2.65 115.31 117.81 1rm6 h LEU 114 Ca 0.33 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1rm6 h LEU 114 Cb -0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1rm6 h LEU 114 CO -0.11 0.46 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.19 1rm6 h LEU 115 N 0.36 0.00 -0.41 2.25 3.38 -0.84 0.32 115.31 120.36 1rm6 h LEU 115 Ca 0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1rm6 h LEU 115 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1rm6 h LEU 115 CO -0.01 0.18 -0.75 0.03 0.09 0.00 0.00 178.44 177.98 1rm6 h ARG 116 N 0.00 0.32 0.12 1.13 3.08 -1.12 -3.18 114.38 114.73 1rm6 h ARG 116 Ca -0.00 -0.28 -0.33 0.00 0.07 0.00 0.00 59.98 59.44 1rm6 h ARG 116 Cb 0.67 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1rm6 h ARG 116 CO 0.02 0.93 -1.73 -0.22 -1.07 0.00 0.00 179.97 177.91 1rm6 h LYS 117 N 0.21 0.25 -2.72 0.04 3.64 -1.09 -3.43 116.57 113.48 1rm6 h LYS 117 Ca -0.03 -0.43 -0.58 0.00 -1.27 0.00 0.00 60.65 58.34 1rm6 h LYS 117 Cb 1.33 0.16 -0.39 0.00 -0.41 0.00 0.00 32.23 32.92 1rm6 h LYS 117 CO 0.12 1.10 -0.82 1.21 -2.27 0.00 0.00 179.45 178.80 1rm6 s ASN 118 N -6.95 3.20 0.57 4.20 2.47 0.11 -5.01 114.94 113.52 1rm6 s ASN 118 Ca -0.13 -2.15 0.27 0.00 0.42 0.00 0.00 52.86 51.27 1rm6 s ASN 118 Cb 0.07 -0.53 1.68 0.00 -1.45 0.00 0.00 41.25 41.01 1rm6 s ASN 118 CO 0.83 -0.32 2.21 -0.65 -3.72 0.00 0.00 177.10 175.45 1rm6 h PRO 119 N 7.16 0.00 -2.22 0.43 0.11 -1.76 -3.30 132.00 132.43 1rm6 h PRO 119 Ca 0.01 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.53 1rm6 h PRO 119 Cb 0.97 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.67 1rm6 h PRO 119 CO 0.33 0.02 -0.75 0.43 -0.21 0.00 0.00 178.00 177.82 1rm6 n SER 120 N -3.92 2.50 -4.80 -2.05 7.64 -1.26 -4.76 113.62 106.96 1rm6 n SER 120 Ca -0.03 -3.17 -0.35 0.00 1.01 0.00 0.00 58.87 56.33 1rm6 n SER 120 Cb 0.11 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 1rm6 n SER 120 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rm6 s PRO 121 N -1.92 4.42 0.77 1.43 0.04 -1.24 -5.06 135.00 133.44 1rm6 s PRO 121 Ca 0.37 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1rm6 s PRO 121 Cb 0.13 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1rm6 s PRO 121 CO -0.06 0.14 1.11 -1.54 0.04 0.00 0.00 177.00 176.69 1rm6 s SER 122 N -1.88 4.77 0.25 6.66 1.04 -1.26 -4.82 113.70 118.46 1rm6 s SER 122 Ca 0.56 1.14 -0.05 0.00 0.48 0.00 0.00 55.95 58.08 1rm6 s SER 122 Cb -0.14 -1.85 0.35 0.00 0.10 0.00 0.00 66.02 64.48 1rm6 s SER 122 CO 0.19 -1.77 1.87 -0.09 0.98 0.00 0.00 173.24 174.42 1rm6 h ARG 123 N -0.95 1.04 -0.50 4.02 2.43 -1.99 -0.25 114.38 118.17 1rm6 h ARG 123 Ca -0.46 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 1rm6 h ARG 123 Cb 1.28 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1rm6 h ARG 123 CO 0.62 0.69 0.11 -0.44 -1.51 0.00 0.00 179.97 179.44 1rm6 h ASP 124 N 1.07 0.71 0.27 -3.80 3.45 -1.99 -1.02 116.42 115.11 1rm6 h ASP 124 Ca 0.39 -0.13 -0.15 0.00 0.43 0.00 0.00 57.03 57.57 1rm6 h ASP 124 Cb 0.14 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1rm6 h ASP 124 CO -0.16 0.71 -0.60 -0.33 -1.57 0.00 0.00 179.24 177.29 1rm6 h GLU 125 N 0.74 0.33 -0.06 3.56 5.08 -1.52 -0.87 114.58 121.83 1rm6 h GLU 125 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1rm6 h GLU 125 Cb 0.29 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1rm6 h GLU 125 CO -0.00 0.83 0.01 0.82 -1.00 0.00 0.00 179.01 179.67 1rm6 h ILE 126 N 0.24 1.20 -0.98 3.13 2.04 -0.70 -1.74 117.51 120.70 1rm6 h ILE 126 Ca -0.01 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1rm6 h ILE 126 Cb 1.12 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 1rm6 h ILE 126 CO 0.10 0.17 0.63 0.11 0.00 0.00 0.00 178.15 179.16 1rm6 h LYS 127 N -0.13 1.31 -0.86 2.37 1.57 -1.06 -1.99 116.57 117.76 1rm6 h LYS 127 Ca 0.02 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1rm6 h LYS 127 Cb 0.26 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1rm6 h LYS 127 CO 0.00 0.88 0.42 0.00 -0.57 0.00 0.00 179.45 180.18 1rm6 h ALA 128 N 1.35 1.12 0.00 3.86 0.00 -0.99 -1.62 119.26 122.97 1rm6 h ALA 128 Ca 0.36 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1rm6 h ALA 128 Cb -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 1rm6 h ALA 128 CO -0.07 0.67 -0.56 0.00 0.00 0.00 0.00 179.25 179.29 1rm6 h ALA 129 N 1.23 0.94 -0.57 0.00 0.00 -0.86 -3.06 119.26 116.95 1rm6 h ALA 129 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rm6 h ALA 129 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rm6 h ALA 129 CO -0.04 0.70 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1rm6 n LEU 130 N -3.68 3.55 0.04 0.00 4.77 -0.79 -4.63 117.00 116.26 1rm6 n LEU 130 Ca -0.01 -1.68 0.18 0.00 -0.03 0.00 0.00 56.01 54.48 1rm6 n LEU 130 Cb 0.60 -0.37 0.68 0.00 -2.33 0.00 0.00 43.42 42.00 1rm6 n LEU 130 CO 0.41 0.84 1.17 0.00 -1.33 0.00 0.00 177.39 178.47 1rm6 h ALA 131 N 4.35 2.43 -0.17 -1.18 0.00 -1.19 -1.06 119.26 122.44 1rm6 h ALA 131 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rm6 h ALA 131 Cb 0.93 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1rm6 h ALA 131 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.10 1rm6 n GLY 132 N -1.63 0.92 3.50 0.00 0.00 -1.26 -4.85 105.19 101.87 1rm6 n GLY 132 Ca 0.08 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1rm6 n GLY 132 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rm6 s ASN 133 N -1.74 6.10 0.11 1.61 0.01 -0.40 -3.14 114.94 117.49 1rm6 s ASN 133 Ca 0.34 -0.65 -0.20 0.00 -0.71 0.00 0.00 52.86 51.64 1rm6 s ASN 133 Cb 0.21 -2.16 -0.07 0.00 0.41 0.00 0.00 41.25 39.64 1rm6 s ASN 133 CO 0.30 -0.36 0.62 -0.76 -1.51 0.00 0.00 177.10 175.39 1rm6 s LEU 134 N 1.74 4.51 -0.02 0.60 1.43 -0.42 -5.01 118.68 121.51 1rm6 s LEU 134 Ca 0.06 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 1rm6 s LEU 134 Cb -0.18 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1rm6 s LEU 134 CO 0.10 0.23 -0.09 0.00 0.23 0.00 0.00 176.35 176.83 1rm6 n ARG 136 N 3.18 1.00 -0.00 0.00 3.00 -1.26 -4.66 116.66 117.92 1rm6 n ARG 136 Ca -0.17 -0.08 -0.18 0.00 -0.00 0.00 0.00 57.85 57.42 1rm6 n ARG 136 Cb 0.55 -1.35 -0.14 0.00 0.00 0.00 0.00 32.46 31.52 1rm6 n ARG 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rm6 n THR 138 N -3.36 0.41 -0.97 0.00 -2.24 -1.26 -4.94 114.28 101.92 1rm6 n THR 138 Ca -0.28 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1rm6 n THR 138 Cb 1.05 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1rm6 n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rm6 n GLY 139 N 1.22 0.37 4.52 3.38 0.00 -1.26 -3.94 105.19 109.48 1rm6 n GLY 139 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rm6 n GLY 139 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rm6 n TYR 140 N -2.51 0.00 -0.09 1.61 4.01 -1.26 -4.85 117.16 114.08 1rm6 n TYR 140 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1rm6 n TYR 140 Cb 0.16 -0.28 -0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1rm6 n TYR 140 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1rm6 h VAL 141 N 0.00 0.39 0.00 -0.72 2.07 -1.99 -1.18 116.25 114.82 1rm6 h VAL 141 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1rm6 h VAL 141 Cb 0.00 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1rm6 h VAL 141 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1rm6 n LYS 142 N -5.38 0.25 -0.07 1.57 5.02 -1.26 -2.37 118.16 115.91 1rm6 n LYS 142 Ca 0.01 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1rm6 n LYS 142 Cb 0.29 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1rm6 n LYS 142 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1rm6 h ILE 143 N 0.00 1.33 -0.57 -0.18 2.04 -1.50 -0.51 117.51 118.13 1rm6 h ILE 143 Ca 0.00 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1rm6 h ILE 143 Cb 0.68 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1rm6 h ILE 143 CO 0.00 0.42 0.36 0.40 0.00 0.00 0.00 178.15 179.34 1rm6 h ILE 144 N 0.16 1.16 -0.83 -0.67 2.04 -1.16 -1.64 117.51 116.57 1rm6 h ILE 144 Ca 0.03 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1rm6 h ILE 144 Cb 0.77 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1rm6 h ILE 144 CO 0.05 0.16 0.52 0.50 0.00 0.00 0.00 178.15 179.38 1rm6 h LYS 145 N 0.77 1.11 -0.41 2.37 3.64 -1.39 -1.09 116.57 121.56 1rm6 h LYS 145 Ca 0.21 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1rm6 h LYS 145 Cb -0.06 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 1rm6 h LYS 145 CO -0.04 0.76 0.22 0.77 -2.27 0.00 0.00 179.45 178.88 1rm6 h SER 146 N 1.13 0.52 -0.55 4.20 0.02 -0.26 -0.19 113.55 118.43 1rm6 h SER 146 Ca 0.30 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1rm6 h SER 146 Cb -0.08 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1rm6 h SER 146 CO -0.06 0.47 -0.04 0.58 -1.14 0.00 0.00 176.83 176.64 1rm6 h VAL 147 N 0.53 1.27 -0.77 2.27 2.07 -0.88 -0.89 116.25 119.84 1rm6 h VAL 147 Ca 0.14 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1rm6 h VAL 147 Cb 0.07 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1rm6 h VAL 147 CO -0.02 0.42 0.38 -0.33 0.02 0.00 0.00 177.57 178.04 1rm6 h GLU 148 N 0.87 1.11 -0.37 1.57 5.08 -0.94 -0.19 114.58 121.70 1rm6 h GLU 148 Ca 0.15 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1rm6 h GLU 148 Cb 0.60 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1rm6 h GLU 148 CO 0.04 0.86 0.08 1.15 -1.00 0.00 0.00 179.01 180.14 1rm6 h THR 149 N 1.09 1.23 -0.71 1.13 2.02 -0.87 -2.18 112.91 114.62 1rm6 h THR 149 Ca 0.27 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1rm6 h THR 149 Cb 0.11 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1rm6 h THR 149 CO -0.03 0.27 0.26 0.00 0.37 0.00 0.00 175.52 176.38 1rm6 h ALA 150 N 0.93 0.93 -0.34 6.16 0.00 -0.87 -0.80 119.26 125.27 1rm6 h ALA 150 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rm6 h ALA 150 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1rm6 h ALA 150 CO 0.00 0.57 0.17 0.00 0.00 0.00 0.00 179.25 180.00 1rm6 h ALA 151 N 1.12 0.44 -0.67 0.00 0.00 -0.91 0.75 119.26 119.98 1rm6 h ALA 151 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1rm6 h ALA 151 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1rm6 h ALA 151 CO -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.32 1rm6 h ALA 152 N 1.03 0.89 -0.04 0.00 0.00 -1.23 -2.05 119.26 117.85 1rm6 h ALA 152 Ca 0.12 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1rm6 h ALA 152 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rm6 h ALA 152 CO -0.02 0.67 -0.40 0.00 0.00 0.00 0.00 179.25 179.50 1rm6 h ALA 153 N 1.05 1.26 -0.00 0.00 0.00 -0.69 -2.76 119.26 118.11 1rm6 h ALA 153 Ca 0.20 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1rm6 h ALA 153 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1rm6 h ALA 153 CO 0.01 0.53 -0.77 0.00 0.00 0.00 0.00 179.25 179.03 1rm6 h ARG 154 N 0.08 0.04 0.00 0.00 3.08 -0.58 -2.98 114.38 114.02 1rm6 h ARG 154 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1rm6 h ARG 154 Cb 0.74 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1rm6 h ARG 154 CO 0.05 0.79 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.59 1rm6 h LEU 155 N 0.02 0.00 0.00 3.04 4.07 -1.10 -3.39 115.31 117.96 1rm6 h LEU 155 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1rm6 h LEU 155 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1rm6 h LEU 155 CO 0.10 0.08 0.00 0.00 -1.08 0.00 0.00 178.44 177.54