#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 0.07 2.12 1.02 -1.26 -0.56 119.74 124.61 1rm6 s LYS 2 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1rm6 s LYS 2 Cb 0.00 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1rm6 s LYS 2 CO 0.00 0.67 -0.05 -0.80 -0.92 0.00 0.00 175.35 174.26 1rm6 s ASN 3 N -1.81 0.75 0.11 2.83 0.01 -0.53 -4.87 114.94 111.42 1rm6 s ASN 3 Ca 0.27 -0.96 -0.31 0.00 -0.71 0.00 0.00 52.86 51.15 1rm6 s ASN 3 Cb -0.13 0.15 -0.08 0.00 0.41 0.00 0.00 41.25 41.60 1rm6 s ASN 3 CO 0.17 -0.52 1.36 -0.63 -1.51 0.00 0.00 177.10 175.97 1rm6 s ILE 4 N -3.57 3.41 -0.19 0.60 1.01 -1.26 -1.20 121.20 120.01 1rm6 s ILE 4 Ca 0.07 1.02 -0.00 0.00 0.00 0.00 0.00 60.65 61.73 1rm6 s ILE 4 Cb 0.05 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1rm6 s ILE 4 CO -0.07 0.08 -0.15 -0.22 0.00 0.00 0.00 174.94 174.58 1rm6 s LEU 5 N 1.09 2.38 -0.11 2.97 2.96 0.16 -4.93 118.68 123.19 1rm6 s LEU 5 Ca 0.64 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1rm6 s LEU 5 Cb -0.36 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1rm6 s LEU 5 CO 0.30 0.00 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.04 1rm6 s ARG 6 N 1.29 3.21 0.30 1.98 0.52 -1.26 -1.30 118.95 123.70 1rm6 s ARG 6 Ca 0.04 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.31 1rm6 s ARG 6 Cb -0.14 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 32.88 1rm6 s ARG 6 CO -0.09 0.23 0.83 -0.48 0.02 0.00 0.00 175.30 175.81 1rm6 s LEU 7 N 0.27 -0.08 -0.18 2.53 -0.00 -0.93 0.25 118.68 120.54 1rm6 s LEU 7 Ca -0.12 -0.87 -0.03 0.00 -0.00 0.00 0.00 54.13 53.11 1rm6 s LEU 7 Cb -0.16 2.63 -0.02 0.00 -0.00 0.00 0.00 46.19 48.64 1rm6 s LEU 7 CO 0.06 -1.42 -0.05 -0.89 -0.00 0.00 0.00 176.35 174.06 1rm6 s THR 8 N -2.77 3.61 -0.16 5.48 2.01 -0.53 -0.49 115.64 122.79 1rm6 s THR 8 Ca 0.15 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1rm6 s THR 8 Cb -0.05 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1rm6 s THR 8 CO 0.08 0.46 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.10 1rm6 s LEU 9 N 0.81 1.83 -1.54 4.42 2.96 0.82 -0.35 118.68 127.63 1rm6 s LEU 9 Ca -0.01 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 1rm6 s LEU 9 Cb -0.15 -1.27 0.09 0.00 0.50 0.00 0.00 46.19 45.36 1rm6 s LEU 9 CO 0.02 -0.04 0.85 0.59 -1.32 0.00 0.00 176.35 176.44 1rm6 n ASN 10 N 4.72 -3.60 0.00 3.68 3.02 -0.07 -1.24 115.26 121.78 1rm6 n ASN 10 Ca -0.18 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1rm6 n ASN 10 Cb 0.50 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 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 1.24 3.43 7.41 0.00 -1.26 -4.98 105.19 109.40 1rm6 n GLY 11 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.17 2.35 0.11 1.61 0.52 -0.38 -5.10 118.95 117.90 1rm6 s ARG 12 Ca 0.00 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.11 1rm6 s ARG 12 Cb 0.00 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 1rm6 s ARG 12 CO 0.00 0.60 1.38 0.00 0.02 0.00 0.00 175.30 177.30 1rm6 s ALA 13 N -0.73 3.58 0.06 2.13 0.00 -1.26 -0.13 121.76 125.41 1rm6 s ALA 13 Ca 0.12 1.09 0.09 0.00 0.00 0.00 0.00 51.96 53.26 1rm6 s ALA 13 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1rm6 s ALA 13 CO 0.01 -0.61 -0.24 1.03 0.00 0.00 0.00 175.76 175.94 1rm6 s ARG 14 N 1.16 1.80 -0.31 0.00 1.81 0.36 -4.91 118.95 118.86 1rm6 s ARG 14 Ca 0.64 -1.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 1rm6 s ARG 14 Cb -0.36 -2.03 0.14 0.00 -0.45 0.00 0.00 34.95 32.25 1rm6 s ARG 14 CO 0.30 0.51 0.31 -2.00 -0.68 0.00 0.00 175.30 173.74 1rm6 s GLU 15 N -1.49 0.39 0.11 3.54 2.12 -1.25 -2.20 118.70 119.92 1rm6 s GLU 15 Ca 0.13 -0.31 0.06 0.00 0.36 0.00 0.00 54.97 55.22 1rm6 s GLU 15 Cb -0.10 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.58 1rm6 s GLU 15 CO 0.04 -1.07 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.03 1rm6 s ASP 16 N 2.15 2.10 -0.34 -1.70 -0.00 -0.42 -4.95 116.67 113.51 1rm6 s ASP 16 Ca 0.11 -0.76 -0.18 0.00 -0.00 0.00 0.00 52.55 51.73 1rm6 s ASP 16 Cb -0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 42.92 42.68 1rm6 s ASP 16 CO -0.26 -0.08 0.50 -0.22 -0.00 0.00 0.00 175.17 175.10 1rm6 s LEU 17 N -2.24 4.32 -0.02 1.23 2.96 -1.26 0.37 118.68 124.04 1rm6 s LEU 17 Ca 0.07 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1rm6 s LEU 17 Cb -0.07 -2.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1rm6 s LEU 17 CO 0.03 -0.45 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.81 1rm6 s VAL 18 N 2.35 1.02 0.34 1.68 1.01 -0.34 -4.87 120.40 121.58 1rm6 s VAL 18 Ca 0.18 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1rm6 s VAL 18 Cb -0.16 -0.87 -0.12 0.00 0.00 0.00 0.00 36.38 35.23 1rm6 s VAL 18 CO 0.13 0.30 1.32 -2.65 0.00 0.00 0.00 175.10 174.20 1rm6 n PRO 19 N 3.03 2.18 0.04 2.72 -0.02 -1.26 -1.45 135.00 140.23 1rm6 n PRO 19 Ca -0.16 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1rm6 n PRO 19 Cb 0.55 -2.37 0.58 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.76 0.18 -0.42 2.55 3.45 -1.18 -2.03 116.42 121.73 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 1.28 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1rm6 h ASP 20 CO 0.64 0.11 0.00 -0.46 -1.57 0.00 0.00 179.24 177.96 1rm6 n ASN 21 N -4.46 3.55 -4.71 6.45 6.94 -1.26 -4.76 115.26 116.99 1rm6 n ASN 21 Ca 0.06 -2.38 -0.40 0.00 -0.02 0.00 0.00 54.58 51.84 1rm6 n ASN 21 Cb 0.34 -0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.85 4.46 0.48 -3.83 1.75 -0.77 -5.00 119.30 114.55 1rm6 s MET 22 Ca 0.35 0.99 -0.21 0.00 -1.25 0.00 0.00 55.69 55.57 1rm6 s MET 22 Cb 0.23 -3.45 -0.08 0.00 2.84 0.00 0.00 34.83 34.37 1rm6 s MET 22 CO 0.15 0.03 1.09 -0.51 -0.65 0.00 0.00 175.02 175.13 1rm6 s LEU 23 N 0.88 3.91 0.29 4.11 1.43 -1.26 -0.68 118.68 127.36 1rm6 s LEU 23 Ca 0.40 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1rm6 s LEU 23 Cb -0.18 -4.43 0.53 0.00 0.03 0.00 0.00 46.19 42.14 1rm6 s LEU 23 CO 0.20 -0.87 1.87 0.25 0.23 0.00 0.00 176.35 178.02 1rm6 h LEU 24 N 1.75 0.94 -0.51 1.79 5.85 -0.51 -1.23 115.31 123.39 1rm6 h LEU 24 Ca -0.49 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1rm6 h LEU 24 Cb 1.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1rm6 h LEU 24 CO 0.59 0.55 0.21 0.25 -0.34 0.00 0.00 178.44 179.70 1rm6 h LEU 25 N 1.03 0.26 -0.59 2.25 5.85 -1.30 -0.27 115.31 122.54 1rm6 h LEU 25 Ca 0.46 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 59.07 1rm6 h LEU 25 Cb 0.36 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rm6 h LEU 25 CO -0.21 0.18 -0.61 0.44 -0.34 0.00 0.00 178.44 177.90 1rm6 h ASP 26 N 0.42 0.37 -0.40 1.25 3.32 -1.67 -0.82 116.42 118.89 1rm6 h ASP 26 Ca 0.24 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1rm6 h ASP 26 Cb 0.21 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1rm6 h ASP 26 CO -0.21 0.89 0.16 0.22 -1.72 0.00 0.00 179.24 178.58 1rm6 h TYR 27 N 0.24 0.61 -0.10 4.55 3.20 -0.70 0.58 116.97 125.35 1rm6 h TYR 27 Ca -0.01 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1rm6 h TYR 27 Cb 1.13 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1rm6 h TYR 27 CO 0.03 0.54 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.00 1rm6 h LEU 28 N 0.50 0.18 -0.16 2.82 3.38 -0.88 -1.00 115.31 120.15 1rm6 h LEU 28 Ca 0.13 -0.35 -0.22 0.00 0.09 0.00 0.00 57.88 57.53 1rm6 h LEU 28 Cb 0.19 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1rm6 h LEU 28 CO -0.01 0.48 -0.78 0.03 0.09 0.00 0.00 178.44 178.25 1rm6 h ARG 29 N -0.13 0.79 0.00 1.13 3.08 -1.11 0.40 114.38 118.54 1rm6 h ARG 29 Ca 0.03 -0.65 -0.39 0.00 0.07 0.00 0.00 59.98 59.03 1rm6 h ARG 29 Cb 0.40 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1rm6 h ARG 29 CO 0.01 1.25 -2.46 0.39 -1.07 0.00 0.00 179.97 178.10 1rm6 n GLU 30 N -3.93 0.63 -0.02 0.04 1.02 0.19 -3.07 120.64 115.49 1rm6 n GLU 30 Ca -0.07 0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 1rm6 n GLU 30 Cb 0.75 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.15 1.55 0.00 2.62 2.02 -1.24 -3.35 112.91 114.35 1rm6 h THR 31 Ca -0.59 -2.08 -0.15 0.00 0.77 0.00 0.00 66.41 64.36 1rm6 h THR 31 Cb 1.84 2.86 -0.03 0.00 -1.74 0.00 0.00 68.15 71.07 1rm6 h THR 31 CO -0.14 0.57 -1.47 0.52 0.37 0.00 0.00 175.52 175.38 1rm6 n VAL 32 N -4.42 1.07 -0.94 3.16 0.31 -0.47 -5.00 118.33 112.04 1rm6 n VAL 32 Ca -0.10 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1rm6 n VAL 32 Cb 0.57 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 1rm6 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rm6 n GLY 33 N 1.39 0.57 3.37 2.92 0.00 -0.69 -5.01 105.19 107.74 1rm6 n GLY 33 Ca -0.10 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 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 5.65 0.00 0.99 1.43 0.05 -4.90 118.68 121.90 1rm6 s LEU 34 Ca 0.00 -1.82 0.19 0.00 -1.03 0.00 0.00 54.13 51.48 1rm6 s LEU 34 Cb 0.00 -2.30 0.83 0.00 0.03 0.00 0.00 46.19 44.75 1rm6 s LEU 34 CO 0.00 -0.98 1.58 0.35 0.23 0.00 0.00 176.35 177.52 1rm6 n THR 35 N 5.20 0.15 -0.17 5.49 -2.24 -1.26 -3.79 114.28 117.66 1rm6 n THR 35 Ca 0.01 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1rm6 n THR 35 Cb 0.44 0.17 0.17 0.00 -2.10 0.00 0.00 70.33 69.01 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 5.15 0.98 -4.81 3.38 0.00 -1.96 -3.41 103.07 102.40 1rm6 h GLY 36 Ca 0.00 -0.55 -0.55 0.00 0.00 0.00 0.00 47.33 46.23 1rm6 h GLY 36 CO 0.00 0.52 0.74 -1.59 0.00 0.00 0.00 176.54 176.21 1rm6 s THR 37 N -5.31 4.11 0.33 4.70 2.01 -1.26 -4.71 115.64 115.52 1rm6 s THR 37 Ca -0.10 1.45 0.08 0.00 0.31 0.00 0.00 61.69 63.43 1rm6 s THR 37 Cb 0.16 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1rm6 s THR 37 CO 0.81 -0.00 0.18 -0.54 -0.69 0.00 0.00 174.62 174.38 1rm6 s LYS 38 N 2.28 2.50 -0.23 4.92 -0.14 -1.14 -4.91 119.74 123.02 1rm6 s LYS 38 Ca 0.58 -1.44 -0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1rm6 s LYS 38 Cb -0.26 -2.29 0.02 0.00 -1.68 0.00 0.00 37.83 33.62 1rm6 s LYS 38 CO 0.23 0.13 -0.08 -1.14 -0.76 0.00 0.00 175.35 173.73 1rm6 s GLN 39 N -3.88 2.96 0.00 1.68 0.74 -1.26 -2.41 119.66 117.48 1rm6 s GLN 39 Ca 0.38 -0.89 0.10 0.00 0.05 0.00 0.00 55.36 55.00 1rm6 s GLN 39 Cb -0.04 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.16 1rm6 s GLN 39 CO 0.24 -0.33 0.67 0.41 -0.55 0.00 0.00 175.29 175.72 1rm6 n GLY 40 N 4.68 -0.24 2.12 2.59 0.00 -1.26 -5.06 105.19 108.03 1rm6 n GLY 40 Ca -0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.58 3.24 0.00 0.00 8.00 -1.26 -4.90 116.55 120.05 1rm6 n ASP 42 Ca -0.02 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1rm6 n ASP 42 Cb 0.35 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 1.47 0.92 2.21 0.44 0.00 -1.26 -5.05 105.19 103.93 1rm6 n GLY 43 Ca 0.20 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.45 0.00 -0.02 0.00 -1.26 -4.93 105.19 99.43 1rm6 n GLY 44 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.35 0.71 0.00 1.61 1.02 -1.26 -4.74 120.64 115.62 1rm6 n GLU 45 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1rm6 n GLU 45 Cb 0.07 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.71 1.03 0.29 0.00 0.00 -1.19 -1.05 105.19 105.98 1rm6 n GLY 47 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 1.24 -0.50 4.61 0.00 -1.88 -1.94 119.26 120.79 1rm6 h ALA 48 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rm6 h ALA 48 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rm6 h ALA 48 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1rm6 s THR 50 N -1.90 2.70 0.36 0.00 2.01 -0.73 -1.82 115.64 116.25 1rm6 s THR 50 Ca 0.41 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.91 1rm6 s THR 50 Cb 0.27 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1rm6 s THR 50 CO 0.18 0.03 0.14 0.68 -0.69 0.00 0.00 174.62 174.97 1rm6 s VAL 51 N 1.34 0.52 -0.10 3.82 -7.23 -0.09 -4.48 120.40 114.18 1rm6 s VAL 51 Ca 0.70 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1rm6 s VAL 51 Cb -0.43 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 1rm6 s VAL 51 CO 0.31 0.00 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.34 1rm6 s LEU 52 N -3.49 3.52 -0.15 1.32 1.43 -0.43 -0.62 118.68 120.26 1rm6 s LEU 52 Ca 0.31 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1rm6 s LEU 52 Cb 0.04 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1rm6 s LEU 52 CO 0.17 0.35 -0.02 -0.69 0.23 0.00 0.00 176.35 176.38 1rm6 s VAL 53 N -0.69 0.80 -1.45 -1.59 1.01 -0.00 -0.96 120.40 117.51 1rm6 s VAL 53 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1rm6 s VAL 53 Cb -0.12 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1rm6 s VAL 53 CO 0.02 0.07 0.56 0.47 0.00 0.00 0.00 175.10 176.23 1rm6 n ASP 54 N 4.98 -1.31 0.00 3.32 8.00 0.60 -1.72 116.55 130.42 1rm6 n ASP 54 Ca -0.10 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1rm6 n ASP 54 Cb 0.48 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 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 -2.93 0.00 -4.64 -2.24 10.43 -1.26 -5.00 116.55 110.91 1rm6 n ASP 55 Ca -0.22 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 56.84 1rm6 n ASP 55 Cb 0.64 -0.91 -0.09 0.00 1.84 0.00 0.00 41.12 42.60 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 -0.30 2.44 0.58 -1.24 1.81 -0.70 -4.63 118.95 116.92 1rm6 s ARG 56 Ca 0.00 -0.86 -0.18 0.00 -1.72 0.00 0.00 55.73 52.97 1rm6 s ARG 56 Cb 0.00 -2.47 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 1rm6 s ARG 56 CO 0.00 0.55 1.14 -1.25 -0.68 0.00 0.00 175.30 175.05 1rm6 s PRO 57 N -2.09 3.13 -0.11 3.54 0.04 -1.26 -0.82 135.00 137.43 1rm6 s PRO 57 Ca 0.23 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 1rm6 s PRO 57 Cb -0.11 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1rm6 s PRO 57 CO 0.15 -1.02 0.38 0.50 0.04 0.00 0.00 177.00 177.05 1rm6 s ARG 58 N -3.52 0.52 -0.43 4.56 6.06 0.21 -4.82 118.95 121.53 1rm6 s ARG 58 Ca 0.72 0.37 -0.25 0.00 -2.50 0.00 0.00 55.73 54.07 1rm6 s ARG 58 Cb -0.24 0.25 0.02 0.00 0.06 0.00 0.00 34.95 35.04 1rm6 s ARG 58 CO 0.32 -0.09 0.90 -0.51 -2.50 0.00 0.00 175.30 173.42 1rm6 s LEU 59 N -0.18 4.03 0.53 -0.88 1.43 -1.26 -0.92 118.68 121.44 1rm6 s LEU 59 Ca -0.03 0.21 0.25 0.00 -1.03 0.00 0.00 54.13 53.53 1rm6 s LEU 59 Cb -0.03 -3.18 1.50 0.00 0.03 0.00 0.00 46.19 44.51 1rm6 s LEU 59 CO 0.02 -0.98 2.13 0.00 0.23 0.00 0.00 176.35 177.75 1rm6 h ALA 60 N 8.90 1.48 0.00 4.21 0.00 -1.72 -1.57 119.26 130.56 1rm6 h ALA 60 Ca -0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.60 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 1.00 0.10 0.00 0.00 0.00 0.00 0.00 179.25 180.36 1rm6 n SER 62 N -1.90 1.59 -3.90 0.00 7.64 -0.61 -4.88 113.62 111.57 1rm6 n SER 62 Ca 0.05 -3.56 -0.17 0.00 1.01 0.00 0.00 58.87 56.20 1rm6 n SER 62 Cb 0.34 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.66 0.36 0.24 0.44 2.01 -1.13 -4.91 115.64 110.00 1rm6 s THR 63 Ca 0.37 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.99 1rm6 s THR 63 Cb 0.37 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 72.42 1rm6 s THR 63 CO -0.08 0.15 0.91 -0.76 -0.69 0.00 0.00 174.62 174.14 1rm6 s LEU 64 N 0.51 4.59 0.26 4.42 1.43 -1.26 -0.18 118.68 128.45 1rm6 s LEU 64 Ca -0.06 1.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1rm6 s LEU 64 Cb -0.09 -3.61 0.48 0.00 0.03 0.00 0.00 46.19 43.00 1rm6 s LEU 64 CO -0.00 0.14 1.79 0.00 0.23 0.00 0.00 176.35 178.50 1rm6 h ALA 65 N 4.04 1.28 0.00 4.21 0.00 -1.11 0.01 119.26 127.69 1rm6 h ALA 65 Ca -0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rm6 h ALA 65 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rm6 h ALA 65 CO 0.67 0.03 0.00 0.45 0.00 0.00 0.00 179.25 180.40 1rm6 h HIS 66 N 0.75 0.00 0.00 0.00 -0.00 -1.86 -2.20 115.15 111.83 1rm6 h HIS 66 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 1rm6 h HIS 66 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1rm6 h HIS 66 CO -0.06 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 178.91 1rm6 n GLN 67 N -2.63 0.07 -0.64 2.45 6.02 -0.01 -2.98 117.38 119.65 1rm6 n GLN 67 Ca -0.01 0.22 0.08 0.00 -0.01 0.00 0.00 57.00 57.28 1rm6 n GLN 67 Cb 0.14 -1.61 0.32 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.73 2.49 -1.75 5.09 0.24 -0.83 -5.00 118.33 116.85 1rm6 n VAL 68 Ca 0.04 -1.66 -0.42 0.00 -2.04 0.00 0.00 64.34 60.26 1rm6 n VAL 68 Cb 0.25 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 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 0.01 2.27 -0.95 2.33 0.00 -1.16 -1.67 120.51 121.34 1rm6 n ALA 69 Ca 0.24 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1rm6 n ALA 69 Cb 1.03 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 1.22 0.44 3.86 0.00 0.00 0.14 -4.99 105.19 105.87 1rm6 n GLY 70 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.55 2.51 -0.32 1.61 1.02 -0.67 -4.89 119.74 118.44 1rm6 s LYS 71 Ca 0.00 -1.55 -0.17 0.00 0.02 0.00 0.00 55.97 54.27 1rm6 s LYS 71 Cb 0.00 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1rm6 s LYS 71 CO 0.00 -0.17 0.45 0.21 -0.92 0.00 0.00 175.35 174.93 1rm6 s LYS 72 N -4.10 3.75 -0.08 1.68 2.20 -1.26 -1.46 119.74 120.47 1rm6 s LYS 72 Ca 0.47 -0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.99 1rm6 s LYS 72 Cb -0.03 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1rm6 s LYS 72 CO 0.27 -0.51 -0.15 0.08 -0.36 0.00 0.00 175.35 174.68 1rm6 s VAL 73 N 2.24 2.92 -0.03 4.02 1.01 0.53 -0.29 120.40 130.81 1rm6 s VAL 73 Ca 0.17 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1rm6 s VAL 73 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1rm6 s VAL 73 CO 0.12 0.56 -0.06 -1.61 0.00 0.00 0.00 175.10 174.11 1rm6 s GLU 74 N -0.24 0.71 0.52 2.72 2.02 -0.14 -0.89 118.70 123.40 1rm6 s GLU 74 Ca 0.01 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.85 1rm6 s GLU 74 Cb -0.13 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.40 1rm6 s GLU 74 CO 0.03 0.03 0.17 0.95 0.02 0.00 0.00 175.26 176.46 1rm6 s THR 75 N 0.40 1.45 0.49 3.63 -4.23 -1.26 -1.31 115.64 114.80 1rm6 s THR 75 Ca -0.05 -1.78 0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1rm6 s THR 75 Cb -0.09 -2.22 0.31 0.00 1.34 0.00 0.00 72.50 71.83 1rm6 s THR 75 CO 0.00 0.00 2.07 1.62 -0.54 0.00 0.00 174.62 177.77 1rm6 h VAL 76 N 1.12 0.94 0.00 2.29 3.04 -1.90 -0.79 116.25 120.95 1rm6 h VAL 76 Ca -0.41 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1rm6 h VAL 76 Cb 1.30 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1rm6 h VAL 76 CO 0.67 0.03 0.00 -0.33 -1.01 0.00 0.00 177.57 176.93 1rm6 h GLU 77 N 0.17 0.00 0.00 4.17 3.07 -1.97 -2.67 114.58 117.35 1rm6 h GLU 77 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1rm6 h GLU 77 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1rm6 h GLU 77 CO -0.02 0.00 -0.41 -1.13 -1.40 0.00 0.00 179.01 176.05 1rm6 n SER 78 N -2.66 0.66 0.03 1.42 3.41 -0.30 -4.41 113.62 111.77 1rm6 n SER 78 Ca -0.01 0.22 -0.12 0.00 -0.26 0.00 0.00 58.87 58.70 1rm6 n SER 78 Cb 0.12 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.63-10.28 1.04 3.38 -1.61 -3.45 115.31 105.02 1rm6 h LEU 79 Ca 0.00 -0.41 -0.51 0.00 0.09 0.00 0.00 57.88 57.05 1rm6 h LEU 79 Cb 0.70 -0.19 0.09 0.00 0.09 0.00 0.00 40.66 41.35 1rm6 h LEU 79 CO 0.00 1.17 0.37 0.00 0.09 0.00 0.00 178.44 180.07 1rm6 s ALA 80 N -3.66 2.63 -0.42 1.53 0.00 -1.26 -4.31 121.76 116.27 1rm6 s ALA 80 Ca -0.07 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1rm6 s ALA 80 Cb 0.10 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1rm6 s ALA 80 CO 0.86 -1.16 0.26 0.99 0.00 0.00 0.00 175.76 176.71 1rm6 s THR 81 N -2.77 4.23 0.00 0.00 2.01 -0.23 -4.93 115.64 113.94 1rm6 s THR 81 Ca 0.61 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1rm6 s THR 81 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1rm6 s THR 81 CO 0.48 -0.50 0.00 0.00 -0.69 0.00 0.00 174.62 173.91 1rm6 n GLN 82 N 4.91 0.00 -0.01 4.92 1.13 -1.26 -1.03 117.38 126.04 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 0.56 0.00 0.11 0.00 0.00 30.24 31.34 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 -0.12 3.68 1.08 0.00 -1.26 -4.88 105.19 103.70 1rm6 n GLY 83 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.97 4.94 0.51 2.61 2.01 -0.20 -5.03 115.64 118.51 1rm6 s THR 84 Ca 0.38 1.57 -0.21 0.00 0.31 0.00 0.00 61.69 63.74 1rm6 s THR 84 Cb 0.21 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 1rm6 s THR 84 CO 0.33 0.10 1.20 -0.76 -0.69 0.00 0.00 174.62 174.80 1rm6 s LEU 85 N 1.69 3.88 0.85 4.42 1.43 -1.26 -1.07 118.68 128.62 1rm6 s LEU 85 Ca 0.38 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.75 1rm6 s LEU 85 Cb -0.17 -4.37 0.10 0.00 0.03 0.00 0.00 46.19 41.78 1rm6 s LEU 85 CO 0.15 -1.21 1.11 -0.94 0.23 0.00 0.00 176.35 175.69 1rm6 s SER 86 N -1.39 3.98 0.36 2.29 1.04 -1.26 -4.80 113.70 113.91 1rm6 s SER 86 Ca 0.69 1.22 0.05 0.00 0.48 0.00 0.00 55.95 58.39 1rm6 s SER 86 Cb -0.30 -1.90 0.67 0.00 0.10 0.00 0.00 66.02 64.59 1rm6 s SER 86 CO 0.35 -2.28 1.92 0.11 0.98 0.00 0.00 173.24 174.33 1rm6 h LYS 87 N -1.31 0.52 -0.47 4.02 1.57 -1.95 -0.54 116.57 118.41 1rm6 h LYS 87 Ca -0.49 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.11 1rm6 h LYS 87 Cb 1.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1rm6 h LYS 87 CO 0.59 0.50 -0.08 1.25 -0.57 0.00 0.00 179.45 181.15 1rm6 h LEU 88 N 0.51 0.88 -0.47 2.94 5.85 -1.92 -0.95 115.31 122.14 1rm6 h LEU 88 Ca 0.12 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1rm6 h LEU 88 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1rm6 h LEU 88 CO -0.00 1.01 0.07 1.56 -0.34 0.00 0.00 178.44 180.75 1rm6 h GLN 89 N 0.72 0.78 -0.58 1.25 4.20 -1.81 -2.13 115.11 117.55 1rm6 h GLN 89 Ca 0.12 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1rm6 h GLN 89 Cb 0.61 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1rm6 h GLN 89 CO 0.04 0.80 0.22 0.00 -0.67 0.00 0.00 178.83 179.22 1rm6 h ALA 90 N 0.96 1.31 -0.34 3.87 0.00 -0.96 -2.10 119.26 121.99 1rm6 h ALA 90 Ca 0.14 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rm6 h ALA 90 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rm6 h ALA 90 CO 0.01 0.51 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1rm6 h ALA 91 N 1.42 0.47 -0.89 0.00 0.00 -0.86 0.15 119.26 119.54 1rm6 h ALA 91 Ca 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1rm6 h ALA 91 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1rm6 h ALA 91 CO -0.02 0.27 0.50 0.74 0.00 0.00 0.00 179.25 180.74 1rm6 h PHE 92 N 0.43 1.22 0.24 0.00 -1.00 -1.16 -0.02 116.94 116.64 1rm6 h PHE 92 Ca 0.09 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1rm6 h PHE 92 Cb 0.52 -0.39 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1rm6 h PHE 92 CO 0.04 0.84 -0.11 1.25 -1.61 0.00 0.00 178.31 178.71 1rm6 h HIS 93 N 1.25 -0.30 0.00 -0.55 2.76 -1.22 0.49 115.15 117.58 1rm6 h HIS 93 Ca 0.32 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1rm6 h HIS 93 Cb 0.01 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1rm6 h HIS 93 CO 0.01 0.04 -0.36 0.93 -1.30 0.00 0.00 177.93 177.25 1rm6 h GLU 94 N -0.67 0.00 -0.11 5.26 5.08 -0.56 -2.89 114.58 120.69 1rm6 h GLU 94 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rm6 h GLU 94 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1rm6 h GLU 94 CO 0.05 0.36 0.00 1.63 -1.00 0.00 0.00 179.01 180.05 1rm6 n LYS 95 N -3.85 2.26 -3.33 2.33 4.76 -0.03 -4.97 118.16 115.32 1rm6 n LYS 95 Ca -0.01 -1.85 -0.18 0.00 -2.87 0.00 0.00 58.31 53.40 1rm6 n LYS 95 Cb 0.43 -1.47 0.07 0.00 -1.84 0.00 0.00 35.03 32.22 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 1.19 -3.41 -0.04 -0.35 7.94 -0.89 -4.86 117.00 116.58 1rm6 n LEU 96 Ca 0.16 -0.48 0.14 0.00 -1.11 0.00 0.00 56.01 54.72 1rm6 n LEU 96 Cb 0.56 -2.67 0.83 0.00 0.53 0.00 0.00 43.42 42.67 1rm6 n LEU 96 CO 0.15 0.46 1.03 0.61 -1.11 0.00 0.00 177.39 178.53 1rm6 n GLY 97 N -1.49 -0.92 2.83 -3.96 0.00 0.11 -4.66 105.19 97.10 1rm6 n GLY 97 Ca -0.10 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 0.28 0.00 2.61 -1.32 -1.23 -4.64 115.64 109.34 1rm6 s THR 98 Ca 0.43 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 1rm6 s THR 98 Cb 0.20 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.83 1rm6 s THR 98 CO 0.33 0.17 0.00 0.00 -2.21 0.00 0.00 174.62 172.91 1rm6 n GLN 99 N 4.16 0.00 0.22 7.08 6.02 -1.26 -4.82 117.38 128.78 1rm6 n GLN 99 Ca -0.25 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.81 1rm6 n GLN 99 Cb 0.50 0.00 0.49 0.00 1.02 0.00 0.00 30.24 32.25 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 -0.35 1.00 0.23 0.00 0.00 -1.26 -4.97 105.19 99.84 1rm6 n GLY 101 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.75 116.94 118.31 1rm6 h PHE 102 Ca 0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1rm6 h PHE 102 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1rm6 h PHE 102 CO 0.00 1.18 -0.09 0.00 -2.23 0.00 0.00 178.31 177.16 1rm6 h THR 104 N 0.76 1.22 -0.72 0.00 2.02 -1.86 -0.88 112.91 113.46 1rm6 h THR 104 Ca 0.00 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.46 1rm6 h THR 104 Cb 0.35 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1rm6 h THR 104 CO 0.00 0.26 0.46 -0.65 0.37 0.00 0.00 175.52 175.96 1rm6 h PRO 105 N 0.54 0.87 -0.44 6.66 0.11 -1.77 0.17 132.00 138.14 1rm6 h PRO 105 Ca 0.13 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 1rm6 h PRO 105 Cb 0.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1rm6 h PRO 105 CO -0.00 0.58 -0.17 0.78 -0.21 0.00 0.00 178.00 178.97 1rm6 h GLY 106 N 0.90 0.91 1.11 -0.55 0.00 -1.61 -0.99 103.07 102.83 1rm6 h GLY 106 Ca 0.28 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1rm6 h GLY 106 CO -0.10 0.68 -0.31 1.98 0.00 0.00 0.00 176.54 178.79 1rm6 h MET 107 N 0.74 0.95 -0.35 4.80 -1.53 -0.65 -1.69 114.93 117.20 1rm6 h MET 107 Ca 0.11 -0.46 -0.16 0.00 -3.44 0.00 0.00 59.70 55.75 1rm6 h MET 107 Cb 0.69 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.73 1rm6 h MET 107 CO 0.05 1.12 -0.40 0.82 0.14 0.00 0.00 176.91 178.65 1rm6 h ILE 108 N 0.78 1.28 -0.53 1.77 2.04 -0.56 -1.03 117.51 121.25 1rm6 h ILE 108 Ca 0.08 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.27 1rm6 h ILE 108 Cb 0.90 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1rm6 h ILE 108 CO 0.08 0.52 -0.04 0.24 0.00 0.00 0.00 178.15 178.96 1rm6 h MET 109 N 0.70 0.97 -0.79 2.37 2.86 -1.07 0.22 114.93 120.20 1rm6 h MET 109 Ca 0.05 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1rm6 h MET 109 Cb 0.98 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 1rm6 h MET 109 CO 0.09 0.99 0.43 0.00 1.06 0.00 0.00 176.91 179.49 1rm6 h ALA 110 N 0.94 1.28 -0.36 6.32 0.00 -1.25 -1.34 119.26 124.86 1rm6 h ALA 110 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1rm6 h ALA 110 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rm6 h ALA 110 CO 0.03 0.59 -0.27 0.77 0.00 0.00 0.00 179.25 180.37 1rm6 h SER 111 N 1.10 0.77 -0.62 0.00 0.02 -0.58 -2.10 113.55 112.12 1rm6 h SER 111 Ca 0.28 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1rm6 h SER 111 Cb 0.03 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1rm6 h SER 111 CO -0.04 1.00 0.11 -0.08 -1.14 0.00 0.00 176.83 176.67 1rm6 h GLU 112 N 0.64 1.03 -0.52 3.45 4.57 -0.12 -0.86 114.58 122.76 1rm6 h GLU 112 Ca 0.08 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1rm6 h GLU 112 Cb 0.79 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1rm6 h GLU 112 CO 0.06 0.95 0.26 0.00 -1.18 0.00 0.00 179.01 179.11 1rm6 h ALA 113 N 1.03 0.67 0.04 2.92 0.00 -1.09 -1.64 119.26 121.19 1rm6 h ALA 113 Ca 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rm6 h ALA 113 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rm6 h ALA 113 CO 0.01 0.22 -0.08 1.25 0.00 0.00 0.00 179.25 180.65 1rm6 h LEU 114 N 0.70 -0.23 -1.51 0.00 5.85 -1.06 -2.60 115.31 116.45 1rm6 h LEU 114 Ca 0.18 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1rm6 h LEU 114 Cb 0.10 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1rm6 h LEU 114 CO -0.02 -0.12 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.63 1rm6 h LEU 115 N -0.16 0.00 -0.79 2.25 3.38 -0.97 0.45 115.31 119.47 1rm6 h LEU 115 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1rm6 h LEU 115 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1rm6 h LEU 115 CO -0.06 0.25 -0.48 0.03 0.09 0.00 0.00 178.44 178.27 1rm6 h ARG 116 N 0.00 0.30 0.08 1.13 3.08 -1.14 -3.11 114.38 114.71 1rm6 h ARG 116 Ca -0.00 -0.16 -0.32 0.00 0.07 0.00 0.00 59.98 59.56 1rm6 h ARG 116 Cb 0.49 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1rm6 h ARG 116 CO 0.03 0.72 -1.75 -0.22 -1.07 0.00 0.00 179.97 177.68 1rm6 h LYS 117 N 0.24 0.17 -2.68 0.04 3.64 -0.98 -3.43 116.57 113.57 1rm6 h LYS 117 Ca 0.01 -0.29 -0.58 0.00 -1.27 0.00 0.00 60.65 58.52 1rm6 h LYS 117 Cb 0.94 0.11 -0.39 0.00 -0.41 0.00 0.00 32.23 32.47 1rm6 h LYS 117 CO 0.08 0.94 -0.82 1.21 -2.27 0.00 0.00 179.45 178.58 1rm6 s ASN 118 N -6.70 3.14 0.63 4.20 2.47 0.15 -5.02 114.94 113.81 1rm6 s ASN 118 Ca -0.12 -2.18 0.40 0.00 0.42 0.00 0.00 52.86 51.38 1rm6 s ASN 118 Cb 0.07 -0.50 2.16 0.00 -1.45 0.00 0.00 41.25 41.53 1rm6 s ASN 118 CO 0.81 -0.31 2.30 -0.65 -3.72 0.00 0.00 177.10 175.53 1rm6 h PRO 119 N 7.09 0.00 -2.08 0.43 0.11 -1.75 -3.29 132.00 132.51 1rm6 h PRO 119 Ca 0.03 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.59 1rm6 h PRO 119 Cb 0.97 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.67 1rm6 h PRO 119 CO 0.31 0.01 -0.96 0.43 -0.21 0.00 0.00 178.00 177.59 1rm6 n SER 120 N -3.25 1.78 -4.77 -2.05 7.64 -1.26 -4.78 113.62 106.93 1rm6 n SER 120 Ca -0.03 -3.10 -0.38 0.00 1.01 0.00 0.00 58.87 56.38 1rm6 n SER 120 Cb 0.11 -0.63 -0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 -2.17 3.77 0.80 1.43 0.04 -1.24 -5.04 135.00 132.59 1rm6 s PRO 121 Ca 0.40 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1rm6 s PRO 121 Cb 0.24 -2.49 0.07 0.00 0.04 0.00 0.00 34.50 32.36 1rm6 s PRO 121 CO -0.09 -0.58 1.11 -1.54 0.04 0.00 0.00 177.00 175.94 1rm6 s SER 122 N -1.18 4.47 0.22 6.66 1.04 -1.26 -4.84 113.70 118.82 1rm6 s SER 122 Ca 0.62 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 58.15 1rm6 s SER 122 Cb -0.32 -1.86 0.30 0.00 0.10 0.00 0.00 66.02 64.24 1rm6 s SER 122 CO 0.39 -1.96 1.81 -0.09 0.98 0.00 0.00 173.24 174.37 1rm6 h ARG 123 N -1.09 0.73 -0.16 4.02 2.43 -1.99 -0.89 114.38 117.43 1rm6 h ARG 123 Ca -0.47 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.58 1rm6 h ARG 123 Cb 1.28 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1rm6 h ARG 123 CO 0.61 0.48 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.90 1rm6 h ASP 124 N 0.75 0.27 0.63 -3.80 3.45 -1.99 -0.77 116.42 114.96 1rm6 h ASP 124 Ca 0.34 -0.07 -0.13 0.00 0.43 0.00 0.00 57.03 57.59 1rm6 h ASP 124 Cb 0.24 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1rm6 h ASP 124 CO -0.20 0.50 -0.62 -0.33 -1.57 0.00 0.00 179.24 177.01 1rm6 h GLU 125 N 0.25 0.00 -0.01 3.56 5.08 -1.66 -0.34 114.58 121.47 1rm6 h GLU 125 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1rm6 h GLU 125 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1rm6 h GLU 125 CO 0.04 0.62 -0.01 0.82 -1.00 0.00 0.00 179.01 179.48 1rm6 h ILE 126 N 0.00 1.36 -0.65 3.13 2.04 -0.51 -2.17 117.51 120.71 1rm6 h ILE 126 Ca -0.01 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.82 1rm6 h ILE 126 Cb 1.11 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 1rm6 h ILE 126 CO 0.08 0.28 0.39 0.11 0.00 0.00 0.00 178.15 179.01 1rm6 h LYS 127 N -0.41 0.72 -0.81 2.37 1.57 -1.09 -1.79 116.57 117.12 1rm6 h LYS 127 Ca 0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rm6 h LYS 127 Cb 0.47 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1rm6 h LYS 127 CO 0.00 0.47 0.54 0.00 -0.57 0.00 0.00 179.45 179.90 1rm6 h ALA 128 N 1.31 1.44 0.00 3.86 0.00 -0.97 -1.89 119.26 123.01 1rm6 h ALA 128 Ca 0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1rm6 h ALA 128 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rm6 h ALA 128 CO -0.14 0.51 -0.49 0.00 0.00 0.00 0.00 179.25 179.13 1rm6 h ALA 129 N 1.50 0.78 -0.66 0.00 0.00 -0.82 -3.10 119.26 116.96 1rm6 h ALA 129 Ca 0.30 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rm6 h ALA 129 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1rm6 h ALA 129 CO -0.07 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1rm6 n LEU 130 N -3.37 3.87 0.04 0.00 4.77 -0.72 -4.63 117.00 116.96 1rm6 n LEU 130 Ca 0.01 -1.88 0.19 0.00 -0.03 0.00 0.00 56.01 54.30 1rm6 n LEU 130 Cb 0.66 -0.44 0.70 0.00 -2.33 0.00 0.00 43.42 42.01 1rm6 n LEU 130 CO 0.39 0.94 1.17 0.00 -1.33 0.00 0.00 177.39 178.57 1rm6 h ALA 131 N 4.41 2.39 -0.52 -1.18 0.00 -1.27 -0.84 119.26 122.25 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 1.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rm6 h ALA 131 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.08 1rm6 n GLY 132 N -1.61 1.80 3.43 0.00 0.00 -1.26 -4.86 105.19 102.70 1rm6 n GLY 132 Ca 0.08 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.22 5.59 0.09 1.61 0.01 -0.32 -3.15 114.94 117.54 1rm6 s ASN 133 Ca 0.41 -0.58 -0.17 0.00 -0.71 0.00 0.00 52.86 51.82 1rm6 s ASN 133 Cb 0.22 -2.01 -0.07 0.00 0.41 0.00 0.00 41.25 39.81 1rm6 s ASN 133 CO 0.30 -0.22 0.54 -0.76 -1.51 0.00 0.00 177.10 175.45 1rm6 s LEU 134 N 1.61 4.45 -0.02 0.60 1.43 -0.21 -5.00 118.68 121.53 1rm6 s LEU 134 Ca 0.04 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 1rm6 s LEU 134 Cb -0.17 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.06 1rm6 s LEU 134 CO 0.06 0.22 -0.07 0.00 0.23 0.00 0.00 176.35 176.79 1rm6 n ARG 136 N 3.35 0.65 0.06 0.00 3.00 -1.26 -4.68 116.66 117.78 1rm6 n ARG 136 Ca -0.18 -0.10 -0.22 0.00 -0.00 0.00 0.00 57.85 57.35 1rm6 n ARG 136 Cb 0.55 -1.44 -0.15 0.00 0.00 0.00 0.00 32.46 31.42 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 -3.56 0.46 -1.08 0.00 -2.24 -1.26 -4.94 114.28 101.65 1rm6 n THR 138 Ca -0.25 -0.55 -0.03 0.00 -2.27 0.00 0.00 64.05 60.95 1rm6 n THR 138 Cb 1.07 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.24 0.53 4.67 3.38 0.00 -1.26 -3.96 105.19 109.78 1rm6 n GLY 139 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.64 0.00 -0.09 1.61 4.01 -1.26 -4.83 117.16 113.96 1rm6 n TYR 140 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1rm6 n TYR 140 Cb 0.23 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 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 0.31 0.00 -0.72 2.07 -1.99 -0.72 116.25 115.20 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 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 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 -5.40 0.10 -0.02 1.57 5.02 -1.26 -2.43 118.16 115.73 1rm6 n LYS 142 Ca 0.00 0.16 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 1rm6 n LYS 142 Cb 0.32 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.39 -0.56 -0.18 2.04 -1.42 -0.99 117.51 117.78 1rm6 h ILE 143 Ca 0.00 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.05 1rm6 h ILE 143 Cb 0.51 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1rm6 h ILE 143 CO 0.00 0.55 0.33 0.40 0.00 0.00 0.00 178.15 179.42 1rm6 h ILE 144 N 0.03 1.03 0.00 -0.67 2.04 -1.12 -1.67 117.51 117.16 1rm6 h ILE 144 Ca -0.04 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1rm6 h ILE 144 Cb 1.14 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1rm6 h ILE 144 CO 0.10 0.12 -0.27 0.11 0.00 0.00 0.00 178.15 178.20 1rm6 h LYS 145 N 0.64 0.00 -0.42 2.37 1.79 -1.39 -1.27 116.57 118.29 1rm6 h LYS 145 Ca 0.23 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 1rm6 h LYS 145 Cb 0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1rm6 h LYS 145 CO -0.12 0.27 0.04 0.77 -1.08 0.00 0.00 179.45 179.34 1rm6 h SER 146 N 0.00 0.68 -0.42 0.86 0.02 -0.54 -1.21 113.55 112.95 1rm6 h SER 146 Ca -0.00 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1rm6 h SER 146 Cb 0.62 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1rm6 h SER 146 CO 0.04 0.79 -0.09 0.58 -1.14 0.00 0.00 176.83 177.01 1rm6 h VAL 147 N 0.55 1.27 -0.35 2.27 2.07 -0.90 -0.39 116.25 120.77 1rm6 h VAL 147 Ca 0.12 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1rm6 h VAL 147 Cb 0.42 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1rm6 h VAL 147 CO 0.01 0.40 0.22 -0.33 0.02 0.00 0.00 177.57 177.89 1rm6 h GLU 148 N 0.63 0.48 -0.48 1.57 5.08 -1.19 0.14 114.58 120.81 1rm6 h GLU 148 Ca 0.11 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1rm6 h GLU 148 Cb 0.62 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1rm6 h GLU 148 CO 0.04 0.35 0.29 1.15 -1.00 0.00 0.00 179.01 179.84 1rm6 h THR 149 N 0.46 1.05 -0.63 1.13 2.02 -1.08 -1.65 112.91 114.21 1rm6 h THR 149 Ca 0.13 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1rm6 h THR 149 Cb -0.00 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1rm6 h THR 149 CO -0.02 0.10 0.14 0.00 0.37 0.00 0.00 175.52 176.11 1rm6 h ALA 150 N 1.21 0.83 -0.49 6.16 0.00 -0.78 -0.92 119.26 125.27 1rm6 h ALA 150 Ca 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1rm6 h ALA 150 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1rm6 h ALA 150 CO -0.09 0.55 0.31 0.00 0.00 0.00 0.00 179.25 180.03 1rm6 h ALA 151 N 1.04 0.62 -0.61 0.00 0.00 -0.58 -0.63 119.26 119.11 1rm6 h ALA 151 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1rm6 h ALA 151 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1rm6 h ALA 151 CO 0.00 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.44 1rm6 h ALA 152 N 1.19 0.81 -0.70 0.00 0.00 -1.05 -1.99 119.26 117.51 1rm6 h ALA 152 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1rm6 h ALA 152 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1rm6 h ALA 152 CO -0.05 0.52 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1rm6 h ALA 153 N 1.04 0.91 -0.27 0.00 0.00 -0.78 -2.38 119.26 117.79 1rm6 h ALA 153 Ca 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1rm6 h ALA 153 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rm6 h ALA 153 CO 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 1rm6 h ARG 154 N 1.01 0.48 0.00 0.00 3.08 -0.95 -3.05 114.38 114.95 1rm6 h ARG 154 Ca 0.23 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1rm6 h ARG 154 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1rm6 h ARG 154 CO -0.01 0.65 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.94 1rm6 h LEU 155 N 0.43 0.00 -2.17 3.04 3.38 -0.97 -3.15 115.31 115.88 1rm6 h LEU 155 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rm6 h LEU 155 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1rm6 h LEU 155 CO 0.04 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.09