#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6l s GLN 2 N 0.00 3.46 0.00 0.54 0.74 -1.26 -1.61 119.66 121.54 1g6l s GLN 2 Ca 0.00 -0.63 0.07 0.00 0.05 0.00 0.00 55.36 54.86 1g6l s GLN 2 Cb 0.00 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 1g6l s GLN 2 CO 0.00 0.12 -0.23 0.14 -0.55 0.00 0.00 175.29 174.77 1g6l s VAL 3 N 0.63 1.84 0.59 1.34 -7.23 0.10 -4.95 120.40 112.73 1g6l s VAL 3 Ca -0.05 -1.09 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1g6l s VAL 3 Cb -0.15 -1.55 0.06 0.00 0.56 0.00 0.00 36.38 35.30 1g6l s VAL 3 CO 0.03 0.44 0.82 0.42 -0.31 0.00 0.00 175.10 176.50 1g6l s THR 4 N -0.63 2.49 -0.22 5.32 -4.23 -1.26 -0.95 115.64 116.16 1g6l s THR 4 Ca 0.09 -0.70 0.13 0.00 -1.18 0.00 0.00 61.69 60.03 1g6l s THR 4 Cb -0.09 -2.79 0.47 0.00 1.34 0.00 0.00 72.50 71.43 1g6l s THR 4 CO 0.00 0.00 1.38 0.18 -0.54 0.00 0.00 174.62 175.64 1g6l n LEU 5 N -2.44 3.63 0.25 4.79 4.77 -1.26 -4.46 117.00 122.29 1g6l n LEU 5 Ca 0.11 -3.42 0.14 0.00 -0.03 0.00 0.00 56.01 52.81 1g6l n LEU 5 Cb 0.60 -0.56 0.57 0.00 -2.33 0.00 0.00 43.42 41.69 1g6l n LEU 5 CO 0.43 0.98 0.91 -0.50 -1.33 0.00 0.00 177.39 177.89 1g6l h TRP 6 N 1.10 0.00 -3.61 -1.77 4.06 -1.95 -3.44 115.95 110.35 1g6l h TRP 6 Ca 0.09 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.77 1g6l h TRP 6 Cb 1.42 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.44 1g6l h TRP 6 CO 0.66 0.08 -0.70 1.14 -3.56 0.00 0.00 178.44 176.06 1g6l s GLN 7 N -3.63 0.96 0.16 0.49 -2.07 -1.26 -5.11 119.66 109.19 1g6l s GLN 7 Ca 0.01 -1.40 -0.33 0.00 -1.82 0.00 0.00 55.36 51.82 1g6l s GLN 7 Cb 0.09 -0.40 -0.13 0.00 -1.09 0.00 0.00 33.01 31.48 1g6l s GLN 7 CO 0.59 0.02 1.69 0.54 -1.32 0.00 0.00 175.29 176.80 1g6l n ARG 8 N -0.13 2.47 -2.34 9.60 1.74 -1.26 -4.85 116.66 121.88 1g6l n ARG 8 Ca -0.11 0.89 -0.36 0.00 -0.77 0.00 0.00 57.85 57.50 1g6l n ARG 8 Cb 0.61 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 1g6l n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1g6l s PRO 9 N 1.47 3.29 0.12 5.56 0.04 -1.26 -4.96 135.00 139.27 1g6l s PRO 9 Ca 0.79 -1.61 -0.19 0.00 0.04 0.00 0.00 61.00 60.03 1g6l s PRO 9 Cb -0.59 -5.40 -0.07 0.00 0.04 0.00 0.00 34.50 28.48 1g6l s PRO 9 CO 0.37 -3.06 0.61 -0.51 0.04 0.00 0.00 177.00 174.44 1g6l s LEU 10 N 7.40 4.46 0.03 -3.56 1.02 -1.26 -1.26 118.68 125.50 1g6l s LEU 10 Ca 0.61 1.28 0.01 0.00 0.02 0.00 0.00 54.13 56.05 1g6l s LEU 10 Cb 0.02 -3.13 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 1g6l s LEU 10 CO 0.10 0.19 -0.04 0.54 0.02 0.00 0.00 176.35 177.16 1g6l s VAL 11 N -1.26 0.24 -0.06 -1.59 0.11 0.31 -4.93 120.40 113.22 1g6l s VAL 11 Ca 0.34 -1.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.14 1g6l s VAL 11 Cb -0.18 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1g6l s VAL 11 CO 0.20 -0.49 0.70 -0.89 -3.33 0.00 0.00 175.10 171.29 1g6l s THR 12 N -1.57 5.03 0.18 5.04 2.01 -1.26 -0.64 115.64 124.42 1g6l s THR 12 Ca -0.13 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.41 1g6l s THR 12 Cb -0.09 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1g6l s THR 12 CO -0.01 0.26 -0.20 0.27 -0.69 0.00 0.00 174.62 174.25 1g6l s ILE 13 N 0.73 2.02 -0.14 1.82 -4.36 0.23 -0.97 121.20 120.52 1g6l s ILE 13 Ca 0.37 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1g6l s ILE 13 Cb -0.18 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.61 1g6l s ILE 13 CO 0.18 -0.25 -0.14 -0.75 0.24 0.00 0.00 174.94 174.23 1g6l s LYS 14 N -2.76 2.23 -0.02 0.37 2.20 -0.80 -1.26 119.74 119.70 1g6l s LYS 14 Ca 0.18 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1g6l s LYS 14 Cb -0.06 -2.05 0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1g6l s LYS 14 CO 0.08 -0.22 0.01 0.42 -0.36 0.00 0.00 175.35 175.27 1g6l s ILE 15 N 1.46 0.06 -1.55 5.43 1.09 -0.51 -1.12 121.20 126.06 1g6l s ILE 15 Ca 0.04 0.09 -0.14 0.00 -1.10 0.00 0.00 60.65 59.54 1g6l s ILE 15 Cb -0.13 -0.14 0.09 0.00 -1.06 0.00 0.00 42.46 41.22 1g6l s ILE 15 CO -0.10 0.09 0.96 0.61 -0.10 0.00 0.00 174.94 176.40 1g6l n GLY 16 N 3.82 -0.49 2.65 6.18 0.00 -1.26 -0.87 105.19 115.22 1g6l n GLY 16 Ca -0.23 0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1g6l n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6l n GLY 17 N -1.65 0.41 3.42 -0.02 0.00 -1.26 -5.01 105.19 101.08 1g6l n GLY 17 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1g6l n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g6l s GLN 18 N -0.63 1.88 -0.20 1.61 -0.21 -0.05 -5.13 119.66 116.94 1g6l s GLN 18 Ca 0.00 -1.08 -0.11 0.00 0.02 0.00 0.00 55.36 54.19 1g6l s GLN 18 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1g6l s GLN 18 CO 0.00 0.51 0.16 -0.51 -2.12 0.00 0.00 175.29 173.33 1g6l s LEU 19 N -1.54 4.20 0.14 2.90 1.43 -1.26 -1.42 118.68 123.13 1g6l s LEU 19 Ca 0.14 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1g6l s LEU 19 Cb -0.10 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1g6l s LEU 19 CO 0.05 0.15 0.11 -0.54 0.23 0.00 0.00 176.35 176.35 1g6l s LYS 20 N 0.48 1.00 0.01 1.70 1.02 -0.39 -4.99 119.74 118.56 1g6l s LYS 20 Ca 0.09 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1g6l s LYS 20 Cb -0.12 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1g6l s LYS 20 CO -0.00 -0.31 0.01 -1.21 -0.92 0.00 0.00 175.35 172.92 1g6l s GLU 21 N -4.04 2.80 0.06 1.68 2.02 -1.26 -0.60 118.70 119.35 1g6l s GLU 21 Ca 0.24 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 1g6l s GLU 21 Cb 0.06 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1g6l s GLU 21 CO 0.02 0.62 0.11 0.00 0.02 0.00 0.00 175.26 176.03 1g6l s ALA 22 N -1.12 -0.03 -0.07 5.21 0.00 0.18 -4.62 121.76 121.31 1g6l s ALA 22 Ca 0.20 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1g6l s ALA 22 Cb -0.12 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1g6l s ALA 22 CO 0.11 -0.39 0.47 -0.51 0.00 0.00 0.00 175.76 175.44 1g6l s LEU 23 N -2.50 4.34 -0.49 0.00 1.43 0.35 -0.53 118.68 121.28 1g6l s LEU 23 Ca 0.00 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 53.71 1g6l s LEU 23 Cb 0.02 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1g6l s LEU 23 CO -0.08 0.10 1.26 -0.76 0.23 0.00 0.00 176.35 177.10 1g6l s LEU 24 N 0.09 3.56 -0.41 1.79 1.02 -0.39 -0.61 118.68 123.73 1g6l s LEU 24 Ca 0.26 0.47 0.04 0.00 0.02 0.00 0.00 54.13 54.91 1g6l s LEU 24 Cb -0.16 -3.42 0.11 0.00 0.02 0.00 0.00 46.19 42.75 1g6l s LEU 24 CO 0.12 -1.41 0.14 -0.62 0.02 0.00 0.00 176.35 174.60 1g6l s ASP 25 N 3.21 4.52 0.28 2.29 -1.08 -0.81 -4.02 116.67 121.06 1g6l s ASP 25 Ca 0.51 -2.47 0.24 0.00 -0.52 0.00 0.00 52.55 50.31 1g6l s ASP 25 Cb -0.09 -1.58 1.03 0.00 -1.46 0.00 0.00 42.92 40.82 1g6l s ASP 25 CO 0.30 -0.32 1.72 0.35 0.52 0.00 0.00 175.17 177.73 1g6l n THR 26 N 3.83 0.85 1.37 1.71 -2.24 -1.26 -2.19 114.28 116.34 1g6l n THR 26 Ca 0.04 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 1g6l n THR 26 Cb 0.38 -1.27 0.46 0.00 -2.10 0.00 0.00 70.33 67.80 1g6l n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g6l n GLY 27 N -0.22 0.15 3.43 3.38 0.00 -1.26 -4.66 105.19 106.02 1g6l n GLY 27 Ca 0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1g6l n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g6l s ALA 28 N -1.91 2.88 0.12 4.61 0.00 -0.93 -5.00 121.76 121.53 1g6l s ALA 28 Ca 0.36 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1g6l s ALA 28 Cb 0.20 -1.52 -0.10 0.00 0.00 0.00 0.00 23.12 21.70 1g6l s ALA 28 CO 0.31 0.09 1.39 -0.44 0.00 0.00 0.00 175.76 177.10 1g6l h ASP 29 N 7.00 0.99 -1.87 0.00 3.32 -1.88 0.16 116.42 124.14 1g6l h ASP 29 Ca -0.32 -0.55 -0.48 0.00 0.02 0.00 0.00 57.03 55.70 1g6l h ASP 29 Cb 1.19 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1g6l h ASP 29 CO 0.60 1.35 -0.43 -1.81 -1.72 0.00 0.00 179.24 177.23 1g6l s ASP 30 N -6.98 5.47 -0.20 6.45 1.01 -1.26 -2.12 116.67 119.04 1g6l s ASP 30 Ca -0.11 -0.40 -0.09 0.00 0.71 0.00 0.00 52.55 52.66 1g6l s ASP 30 Cb 0.10 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.91 1g6l s ASP 30 CO 0.90 -0.34 0.10 -0.89 0.21 0.00 0.00 175.17 175.15 1g6l s THR 31 N -2.26 5.11 -0.08 -1.27 2.01 -1.26 -3.04 115.64 114.85 1g6l s THR 31 Ca 0.41 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.50 1g6l s THR 31 Cb -0.07 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1g6l s THR 31 CO 0.27 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 1g6l s VAL 32 N 0.51 0.98 0.18 3.82 1.01 -0.46 -1.40 120.40 125.05 1g6l s VAL 32 Ca 0.06 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.82 1g6l s VAL 32 Cb -0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1g6l s VAL 32 CO 0.00 0.34 -0.24 -0.76 0.00 0.00 0.00 175.10 174.44 1g6l s LEU 33 N 1.20 2.41 0.78 3.92 1.43 0.93 -0.81 118.68 128.55 1g6l s LEU 33 Ca -0.05 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.07 1g6l s LEU 33 Cb -0.14 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 44.98 1g6l s LEU 33 CO -0.02 0.12 1.02 -1.84 0.23 0.00 0.00 176.35 175.85 1g6l n GLU 34 N 0.41 0.27 -1.62 1.70 0.28 -1.26 -0.48 120.64 119.94 1g6l n GLU 34 Ca -0.14 0.16 -0.52 0.00 -0.16 0.00 0.00 57.16 56.50 1g6l n GLU 34 Cb 0.55 -2.28 -0.06 0.00 1.43 0.00 0.00 31.44 31.08 1g6l n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1g6l n GLU 35 N -2.50 1.27 -3.68 3.44 -0.58 -1.13 -4.54 120.64 112.92 1g6l n GLU 35 Ca 0.13 0.46 -0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1g6l n GLU 35 Cb 0.50 -2.13 -0.03 0.00 -0.57 0.00 0.00 31.44 29.22 1g6l n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g6l s MET 36 N 1.13 1.40 -0.42 3.49 0.23 -1.26 -5.03 119.30 118.84 1g6l s MET 36 Ca 0.86 -0.79 -0.28 0.00 -1.03 0.00 0.00 55.69 54.45 1g6l s MET 36 Cb -0.94 0.54 0.02 0.00 -1.53 0.00 0.00 34.83 32.93 1g6l s MET 36 CO 0.49 -0.60 1.07 0.45 -2.03 0.00 0.00 175.02 174.40 1g6l s SER 37 N -2.85 6.71 -0.02 -1.18 0.15 -1.26 -5.00 113.70 110.24 1g6l s SER 37 Ca 0.07 0.60 0.04 0.00 0.70 0.00 0.00 55.95 57.37 1g6l s SER 37 Cb -0.02 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1g6l s SER 37 CO -0.04 -1.09 -0.15 -0.22 1.20 0.00 0.00 173.24 172.94 1g6l s LEU 38 N 4.05 1.98 0.13 3.45 2.96 -1.26 -4.92 118.68 125.07 1g6l s LEU 38 Ca 0.45 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 1g6l s LEU 38 Cb -0.09 -0.82 -0.07 0.00 0.50 0.00 0.00 46.19 45.71 1g6l s LEU 38 CO 0.25 0.17 0.55 -2.16 -1.32 0.00 0.00 176.35 173.84 1g6l s PRO 39 N -0.21 4.02 0.00 0.98 0.04 -1.26 -5.01 135.00 133.56 1g6l s PRO 39 Ca 0.03 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1g6l s PRO 39 Cb -0.08 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1g6l s PRO 39 CO 0.00 0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.96 1g6l n GLY 40 N 1.00 -0.20 3.86 0.56 0.00 -1.26 -5.04 105.19 104.11 1g6l n GLY 40 Ca -0.06 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.37 1g6l n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g6l s ARG 41 N -0.44 3.92 0.32 1.61 1.70 -1.26 -5.09 118.95 119.71 1g6l s ARG 41 Ca 0.00 0.60 0.02 0.00 -0.47 0.00 0.00 55.73 55.88 1g6l s ARG 41 Cb 0.00 -2.41 -0.02 0.00 -0.57 0.00 0.00 34.95 31.95 1g6l s ARG 41 CO 0.00 0.08 0.34 1.67 -1.08 0.00 0.00 175.30 176.31 1g6l s TRP 42 N -2.14 1.38 -0.01 5.89 1.48 -1.26 -4.72 118.94 119.55 1g6l s TRP 42 Ca 0.53 -1.46 -0.01 0.00 -1.06 0.00 0.00 56.10 54.10 1g6l s TRP 42 Cb -0.10 -0.43 0.00 0.00 -1.16 0.00 0.00 33.47 31.78 1g6l s TRP 42 CO 0.23 -0.95 0.03 0.15 -4.06 0.00 0.00 176.95 172.35 1g6l s LYS 43 N -3.40 0.04 0.51 3.25 1.02 -0.67 -4.89 119.74 115.60 1g6l s LYS 43 Ca 0.36 0.04 -0.22 0.00 0.02 0.00 0.00 55.97 56.17 1g6l s LYS 43 Cb 0.02 0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.29 1g6l s LYS 43 CO 0.22 -0.00 1.22 -2.14 -0.92 0.00 0.00 175.35 173.73 1g6l s PRO 44 N 0.00 3.42 0.17 -1.68 0.02 -1.26 0.83 135.00 136.51 1g6l s PRO 44 Ca -0.00 1.89 -0.15 0.00 0.02 0.00 0.00 61.00 62.76 1g6l s PRO 44 Cb -0.00 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 32.29 1g6l s PRO 44 CO 0.00 -0.86 0.43 0.21 -0.33 0.00 0.00 177.00 176.45 1g6l s LYS 45 N -2.92 1.24 -0.07 5.54 2.20 0.18 -4.80 119.74 121.12 1g6l s LYS 45 Ca 0.69 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1g6l s LYS 45 Cb -0.31 0.47 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1g6l s LYS 45 CO 0.37 -0.50 -0.10 1.41 -0.36 0.00 0.00 175.35 176.16 1g6l s MET 46 N -3.88 1.54 0.06 4.03 -2.45 -1.26 0.68 119.30 118.02 1g6l s MET 46 Ca 0.09 -0.34 0.07 0.00 -1.25 0.00 0.00 55.69 54.26 1g6l s MET 46 Cb 0.01 -1.34 -0.03 0.00 1.25 0.00 0.00 34.83 34.72 1g6l s MET 46 CO -0.05 -0.03 -0.19 0.96 1.05 0.00 0.00 175.02 176.76 1g6l s ILE 47 N 0.84 1.56 0.16 10.11 -4.36 -0.15 -4.96 121.20 124.40 1g6l s ILE 47 Ca -0.12 -1.23 0.03 0.00 -0.26 0.00 0.00 60.65 59.07 1g6l s ILE 47 Cb -0.15 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 1g6l s ILE 47 CO 0.02 0.11 0.28 -0.83 0.24 0.00 0.00 174.94 174.76 1g6l s GLY 48 N -1.33 1.63 0.12 6.27 0.00 -1.26 -0.79 107.32 111.95 1g6l s GLY 48 Ca 0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 1g6l s GLY 48 CO 0.02 -1.08 0.23 0.61 0.00 0.00 0.00 173.10 172.88 1g6l n GLY 49 N -0.67 1.72 3.77 0.20 0.00 0.28 -4.96 105.19 105.53 1g6l n GLY 49 Ca -0.07 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 1g6l n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g6l s ILE 50 N -2.73 3.06 0.00 -0.61 1.01 -1.26 -2.19 121.20 118.48 1g6l s ILE 50 Ca 0.05 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1g6l s ILE 50 Cb -0.01 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1g6l s ILE 50 CO 0.04 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1g6l n GLY 51 N 0.75 2.94 0.00 6.18 0.00 -1.26 -1.07 105.19 112.73 1g6l n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1g6l n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6l n GLY 52 N -2.00 0.73 3.71 -0.02 0.00 -0.93 -3.96 105.19 102.73 1g6l n GLY 52 Ca 0.00 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 1g6l n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g6l s PHE 53 N -1.34 3.03 0.04 1.61 0.40 -1.26 -0.56 117.98 119.90 1g6l s PHE 53 Ca 0.00 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 1g6l s PHE 53 Cb 0.00 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 1g6l s PHE 53 CO 0.00 0.49 -0.11 0.96 0.70 0.00 0.00 175.22 177.26 1g6l s ILE 54 N -1.39 0.89 -0.04 0.64 -4.36 0.02 -4.83 121.20 112.13 1g6l s ILE 54 Ca 0.27 -0.95 -0.20 0.00 -0.26 0.00 0.00 60.65 59.51 1g6l s ILE 54 Cb -0.11 -0.84 -0.05 0.00 1.25 0.00 0.00 42.46 42.71 1g6l s ILE 54 CO 0.19 -0.10 0.58 -0.75 0.24 0.00 0.00 174.94 175.10 1g6l s LYS 55 N -1.17 4.32 0.25 0.37 2.20 -1.26 -0.98 119.74 123.47 1g6l s LYS 55 Ca -0.01 0.68 0.04 0.00 -0.36 0.00 0.00 55.97 56.32 1g6l s LYS 55 Cb -0.08 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1g6l s LYS 55 CO 0.01 0.29 -0.01 0.14 -0.36 0.00 0.00 175.35 175.42 1g6l s VAL 56 N 0.09 1.22 -0.19 4.02 -7.23 0.21 -4.62 120.40 113.90 1g6l s VAL 56 Ca 0.30 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1g6l s VAL 56 Cb -0.17 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1g6l s VAL 56 CO 0.16 -0.29 0.04 -0.13 -0.31 0.00 0.00 175.10 174.57 1g6l s ARG 57 N -3.83 3.83 -0.19 4.82 0.52 -0.96 0.52 118.95 123.66 1g6l s ARG 57 Ca 0.29 -0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 55.00 1g6l s ARG 57 Cb 0.05 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 1g6l s ARG 57 CO 0.10 0.15 0.13 -1.14 0.02 0.00 0.00 175.30 174.56 1g6l s GLN 58 N 0.69 4.05 -0.05 3.54 0.74 0.24 -1.71 119.66 127.16 1g6l s GLN 58 Ca 0.02 -0.21 0.06 0.00 0.05 0.00 0.00 55.36 55.28 1g6l s GLN 58 Cb -0.14 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.60 1g6l s GLN 58 CO 0.02 0.38 -0.23 0.71 -0.55 0.00 0.00 175.29 175.62 1g6l s TYR 59 N 0.12 2.27 0.31 1.67 1.51 -0.72 -1.67 117.35 120.84 1g6l s TYR 59 Ca 0.09 -0.67 0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1g6l s TYR 59 Cb -0.11 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1g6l s TYR 59 CO -0.01 -0.21 0.18 -0.51 -1.11 0.00 0.00 175.55 173.89 1g6l s ASP 60 N -0.11 5.04 -1.49 2.29 1.01 -1.26 -0.99 116.67 121.16 1g6l s ASP 60 Ca -0.04 -0.55 -0.12 0.00 0.71 0.00 0.00 52.55 52.56 1g6l s ASP 60 Cb -0.13 -0.98 0.07 0.00 1.01 0.00 0.00 42.92 42.89 1g6l s ASP 60 CO 0.03 -0.21 0.96 0.00 0.21 0.00 0.00 175.17 176.16 1g6l n GLN 61 N -1.18 -5.74 -3.33 8.23 3.00 -0.98 -4.89 117.38 112.49 1g6l n GLN 61 Ca -0.04 0.65 -0.38 0.00 -0.01 0.00 0.00 57.00 57.22 1g6l n GLN 61 Cb 0.60 -5.56 -0.06 0.00 0.00 0.00 0.00 30.24 25.22 1g6l n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1g6l s ILE 62 N -3.26 5.14 0.05 5.09 -1.09 0.62 -4.74 121.20 123.01 1g6l s ILE 62 Ca 0.61 0.96 -0.26 0.00 -2.23 0.00 0.00 60.65 59.73 1g6l s ILE 62 Cb -0.30 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1g6l s ILE 62 CO 0.75 0.37 0.83 -0.22 -1.23 0.00 0.00 174.94 175.44 1g6l s LEU 63 N 0.34 4.44 -0.03 2.97 2.96 -1.26 -1.72 118.68 126.37 1g6l s LEU 63 Ca 0.26 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.71 1g6l s LEU 63 Cb -0.16 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 43.21 1g6l s LEU 63 CO 0.11 -0.04 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.41 1g6l s ILE 64 N 0.14 0.55 -0.64 6.68 1.01 0.17 -4.43 121.20 124.67 1g6l s ILE 64 Ca 0.42 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 1g6l s ILE 64 Cb -0.21 -0.52 0.17 0.00 0.01 0.00 0.00 42.46 41.90 1g6l s ILE 64 CO 0.25 0.20 0.51 -1.61 0.00 0.00 0.00 174.94 174.28 1g6l s GLU 65 N 0.44 2.83 -0.37 2.79 2.02 -0.28 -1.13 118.70 125.01 1g6l s GLU 65 Ca -0.06 -2.31 -0.25 0.00 0.02 0.00 0.00 54.97 52.37 1g6l s GLU 65 Cb -0.10 -3.98 0.01 0.00 0.10 0.00 0.00 34.13 30.17 1g6l s GLU 65 CO 0.00 -1.21 0.88 0.42 0.02 0.00 0.00 175.26 175.37 1g6l s ILE 66 N 0.37 4.63 -1.29 -1.63 1.01 -0.13 -1.90 121.20 122.26 1g6l s ILE 66 Ca 0.14 1.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.81 1g6l s ILE 66 Cb -0.19 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.02 1g6l s ILE 66 CO -0.04 -0.52 0.36 0.00 0.00 0.00 0.00 174.94 174.74 1g6l n GLY 68 N -1.14 1.39 3.88 0.00 0.00 -1.26 -5.04 105.19 103.02 1g6l n GLY 68 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1g6l n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g6l s HIS 69 N -2.67 3.61 0.14 1.61 4.02 -0.39 -5.05 115.29 116.56 1g6l s HIS 69 Ca 0.00 0.60 -0.10 0.00 1.02 0.00 0.00 55.06 56.57 1g6l s HIS 69 Cb 0.00 -2.00 -0.06 0.00 -1.02 0.00 0.00 32.58 29.50 1g6l s HIS 69 CO 0.00 0.67 0.48 0.15 1.02 0.00 0.00 174.74 177.06 1g6l s LYS 70 N -1.39 3.81 -0.03 1.40 1.02 -1.26 -0.95 119.74 122.34 1g6l s LYS 70 Ca 0.22 0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.28 1g6l s LYS 70 Cb -0.13 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1g6l s LYS 70 CO 0.11 0.46 0.39 0.00 -0.92 0.00 0.00 175.35 175.40 1g6l s ALA 71 N -1.55 -1.01 -0.05 5.17 0.00 -0.28 -4.88 121.76 119.16 1g6l s ALA 71 Ca 0.39 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1g6l s ALA 71 Cb -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1g6l s ALA 71 CO 0.20 -0.28 -0.16 0.42 0.00 0.00 0.00 175.76 175.94 1g6l s ILE 72 N -1.24 1.37 0.00 0.00 -1.09 -1.26 -0.66 121.20 118.31 1g6l s ILE 72 Ca -0.13 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1g6l s ILE 72 Cb -0.04 -1.19 0.00 0.00 -1.58 0.00 0.00 42.46 39.65 1g6l s ILE 72 CO 0.05 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1g6l n GLY 73 N 3.24 0.66 3.77 6.18 0.00 -0.70 -4.88 105.19 113.46 1g6l n GLY 73 Ca -0.19 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1g6l n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g6l s THR 74 N -2.11 4.74 -0.04 2.61 2.01 -1.26 -0.28 115.64 121.32 1g6l s THR 74 Ca 0.00 1.40 0.03 0.00 0.31 0.00 0.00 61.69 63.42 1g6l s THR 74 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1g6l s THR 74 CO 0.00 0.46 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.59 1g6l s VAL 75 N -0.54 0.90 -0.14 3.82 1.01 -0.16 -4.54 120.40 120.76 1g6l s VAL 75 Ca 0.33 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1g6l s VAL 75 Cb -0.20 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1g6l s VAL 75 CO 0.20 0.28 0.08 -0.76 0.00 0.00 0.00 175.10 174.90 1g6l s LEU 76 N 0.30 3.99 -0.14 3.92 1.43 -0.49 -1.75 118.68 125.93 1g6l s LEU 76 Ca -0.06 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1g6l s LEU 76 Cb -0.11 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1g6l s LEU 76 CO 0.01 0.31 -0.19 -0.69 0.23 0.00 0.00 176.35 176.02 1g6l s VAL 77 N -0.45 2.30 0.00 -1.59 1.01 -0.70 -0.05 120.40 120.93 1g6l s VAL 77 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1g6l s VAL 77 Cb -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1g6l s VAL 77 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1g6l n GLY 78 N 4.05 1.54 2.16 4.51 0.00 0.37 -2.27 105.19 115.55 1g6l n GLY 78 Ca -0.20 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 1g6l n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1g6l n PRO 79 N 0.00 2.70 -2.94 1.61 -0.02 -1.26 -2.84 135.00 132.25 1g6l n PRO 79 Ca 0.00 -1.51 -0.37 0.00 -2.02 0.00 0.00 63.50 59.60 1g6l n PRO 79 Cb 0.00 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 1g6l n PRO 79 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1g6l s THR 80 N 1.61 4.39 -0.18 3.45 2.01 -1.26 -4.95 115.64 120.71 1g6l s THR 80 Ca 0.66 1.55 0.28 0.00 0.31 0.00 0.00 61.69 64.49 1g6l s THR 80 Cb 0.25 -3.94 0.35 0.00 0.01 0.00 0.00 72.50 69.18 1g6l s THR 80 CO -0.03 0.18 1.78 1.55 -0.69 0.00 0.00 174.62 177.41 1g6l h PRO 81 N 3.31 0.00 -3.86 4.92 0.13 -1.88 -3.44 132.00 131.18 1g6l h PRO 81 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 1g6l h PRO 81 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 1g6l h PRO 81 CO 0.65 0.02 -0.64 0.08 -0.23 0.00 0.00 178.00 177.88 1g6l s VAL 82 N -3.42 0.11 -0.07 1.56 1.01 -1.26 -5.08 120.40 113.25 1g6l s VAL 82 Ca 0.04 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1g6l s VAL 82 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1g6l s VAL 82 CO 0.61 -0.48 1.06 0.20 0.00 0.00 0.00 175.10 176.49 1g6l s ASN 83 N -1.50 7.21 -0.10 3.32 0.01 -1.26 -4.68 114.94 117.93 1g6l s ASN 83 Ca -0.15 1.65 0.03 0.00 -0.71 0.00 0.00 52.86 53.68 1g6l s ASN 83 Cb -0.09 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1g6l s ASN 83 CO -0.01 -0.45 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.31 1g6l s ILE 84 N 1.86 1.72 -0.38 0.60 1.01 0.01 -0.50 121.20 125.53 1g6l s ILE 84 Ca 0.51 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 1g6l s ILE 84 Cb -0.21 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1g6l s ILE 84 CO 0.21 0.48 0.27 -0.63 0.00 0.00 0.00 174.94 175.27 1g6l s ILE 85 N 0.62 5.20 0.65 2.92 -1.09 0.22 -1.35 121.20 128.37 1g6l s ILE 85 Ca -0.14 -0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 57.75 1g6l s ILE 85 Cb -0.16 -3.80 0.14 0.00 -1.58 0.00 0.00 42.46 37.05 1g6l s ILE 85 CO 0.04 -0.17 0.88 0.61 -1.23 0.00 0.00 174.94 175.07 1g6l n GLY 86 N 5.12 0.04 0.30 6.18 0.00 -1.17 -1.92 105.19 113.74 1g6l n GLY 86 Ca -0.12 -1.92 0.16 0.00 0.00 0.00 0.00 46.02 44.14 1g6l n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g6l h ARG 87 N 0.00 0.00 -0.46 1.61 3.08 -0.56 -1.64 114.38 116.41 1g6l h ARG 87 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1g6l h ARG 87 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1g6l h ARG 87 CO 0.27 0.02 0.22 -2.95 -1.07 0.00 0.00 179.97 176.47 1g6l h ASN 88 N 0.00 0.58 0.17 7.04 -1.07 -1.69 -2.78 115.58 117.82 1g6l h ASN 88 Ca -0.00 -0.05 -0.35 0.00 0.07 0.00 0.00 56.30 55.97 1g6l h ASN 88 Cb 0.08 -0.15 -0.06 0.00 -2.07 0.00 0.00 38.32 36.13 1g6l h ASN 88 CO 0.00 0.50 -2.15 0.18 0.07 0.00 0.00 177.43 176.03 1g6l n LEU 89 N -4.39 1.03 -0.32 6.14 4.77 -0.85 -4.39 117.00 118.99 1g6l n LEU 89 Ca 0.04 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1g6l n LEU 89 Cb 0.12 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1g6l n LEU 89 CO 0.37 0.57 1.20 -0.07 -1.33 0.00 0.00 177.39 178.13 1g6l h LEU 90 N 0.01 0.85 -1.17 2.23 4.07 -1.25 -1.67 115.31 118.38 1g6l h LEU 90 Ca -0.46 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 1g6l h LEU 90 Cb 2.10 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 43.65 1g6l h LEU 90 CO 0.03 0.53 0.40 0.71 -1.08 0.00 0.00 178.44 179.03 1g6l h THR 91 N 0.98 1.21 -0.55 0.22 1.35 -1.70 -2.19 112.91 112.22 1g6l h THR 91 Ca 0.39 -0.50 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 1g6l h THR 91 Cb 0.20 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.84 1g6l h THR 91 CO -0.18 0.23 0.19 1.56 -0.25 0.00 0.00 175.52 177.07 1g6l h GLN 92 N 0.98 0.81 -0.63 4.72 4.20 -1.51 -2.02 115.11 121.66 1g6l h GLN 92 Ca 0.25 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1g6l h GLN 92 Cb 0.01 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1g6l h GLN 92 CO -0.04 0.68 0.00 0.44 -0.67 0.00 0.00 178.83 179.24 1g6l n ILE 93 N -4.32 1.33 -2.62 2.54 -5.35 -1.05 -4.92 119.36 104.98 1g6l n ILE 93 Ca 0.04 -0.80 -0.17 0.00 -0.27 0.00 0.00 62.75 61.56 1g6l n ILE 93 Cb 0.18 -0.09 0.01 0.00 -1.74 0.00 0.00 39.64 38.00 1g6l n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g6l n GLY 94 N 0.74 -0.29 3.75 3.28 0.00 -0.76 -4.82 105.19 107.09 1g6l n GLY 94 Ca 0.17 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1g6l n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1g6l s MET 95 N -5.17 4.56 0.10 1.61 0.00 -0.85 -4.49 119.30 115.05 1g6l s MET 95 Ca 0.13 1.83 0.03 0.00 0.00 0.00 0.00 55.69 57.68 1g6l s MET 95 Cb -0.06 -3.22 -0.04 0.00 0.00 0.00 0.00 34.83 31.51 1g6l s MET 95 CO 0.16 0.05 -0.09 0.95 0.00 0.00 0.00 175.02 176.10 1g6l s THR 96 N -0.55 0.86 -0.06 10.11 -4.23 0.19 -4.15 115.64 117.82 1g6l s THR 96 Ca 0.49 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1g6l s THR 96 Cb -0.32 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 1g6l s THR 96 CO 0.39 -0.63 0.04 -0.76 -0.54 0.00 0.00 174.62 173.11 1g6l s LEU 97 N -2.55 3.74 -0.06 4.79 1.43 0.11 -1.56 118.68 124.57 1g6l s LEU 97 Ca 0.06 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1g6l s LEU 97 Cb -0.01 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1g6l s LEU 97 CO -0.01 0.34 0.01 0.20 0.23 0.00 0.00 176.35 177.13 1g6l s ASN 98 N -1.22 1.35 0.00 2.29 0.01 -0.65 0.36 114.94 117.07 1g6l s ASN 98 Ca 0.17 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1g6l s ASN 98 Cb -0.12 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.20 1g6l s ASN 98 CO 0.07 -0.20 0.00 2.22 -1.51 0.00 0.00 177.10 177.68 1g6l n PHE 99 N 5.06 0.00 0.00 2.20 -1.74 -1.26 -0.40 117.46 121.32 1g6l n PHE 99 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 1g6l n PHE 99 Cb 0.50 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.50 1g6l n PHE 99 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1g6l n PRO 1001N -0.51 0.00 -4.80 3.97 -0.04 -1.26 -4.97 135.00 127.38 1g6l n PRO 1001Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1g6l n PRO 1001Cb 0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.37 1g6l n PRO 1001CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1g6l s GLN 1002N 0.00 2.66 -0.07 0.54 0.74 -1.26 -4.96 119.66 117.31 1g6l s GLN 1002Ca 0.00 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.76 1g6l s GLN 1002Cb 0.00 -2.46 0.02 0.00 1.10 0.00 0.00 33.01 31.67 1g6l s GLN 1002CO 0.00 0.60 -0.05 0.08 -0.55 0.00 0.00 175.29 175.37 1g6l s VAL 1003N -0.65 0.68 0.60 1.34 1.01 0.16 -4.95 120.40 118.59 1g6l s VAL 1003Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1g6l s VAL 1003Cb -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1g6l s VAL 1003CO 0.01 0.28 0.90 0.42 0.00 0.00 0.00 175.10 176.71 1g6l s THR 1004N 1.29 3.32 -0.25 3.92 -4.23 -1.26 0.04 115.64 118.46 1g6l s THR 1004Ca -0.05 -0.13 0.13 0.00 -1.18 0.00 0.00 61.69 60.46 1g6l s THR 1004Cb -0.14 -3.33 0.65 0.00 1.34 0.00 0.00 72.50 71.02 1g6l s THR 1004CO -0.02 -0.33 1.61 0.18 -0.54 0.00 0.00 174.62 175.52 1g6l n LEU 1005N -2.61 4.95 0.22 4.79 4.77 -1.26 -4.44 117.00 123.43 1g6l n LEU 1005Ca 0.05 -3.18 0.07 0.00 -0.03 0.00 0.00 56.01 52.93 1g6l n LEU 1005Cb 0.58 -0.65 0.51 0.00 -2.33 0.00 0.00 43.42 41.54 1g6l n LEU 1005CO 0.52 0.79 0.83 -0.50 -1.33 0.00 0.00 177.39 177.70 1g6l h TRP 1006N 2.32 0.00 -2.77 -1.77 4.06 -1.94 -3.43 115.95 112.41 1g6l h TRP 1006Ca 0.12 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.53 1g6l h TRP 1006Cb 1.86 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.87 1g6l h TRP 1006CO 0.93 0.25 -0.76 -1.14 -3.56 0.00 0.00 178.44 174.16 1g6l s GLN 1007N -4.12 1.45 0.28 0.49 2.00 -1.26 -5.09 119.66 113.40 1g6l s GLN 1007Ca -0.02 -1.60 -0.30 0.00 -2.00 0.00 0.00 55.36 51.43 1g6l s GLN 1007Cb 0.13 -1.44 -0.12 0.00 0.80 0.00 0.00 33.01 32.38 1g6l s GLN 1007CO 0.66 0.27 1.52 0.54 -0.50 0.00 0.00 175.29 177.78 1g6l n ARG 1008N -0.26 2.45 -2.60 1.67 1.74 -1.26 -4.86 116.66 113.54 1g6l n ARG 1008Ca -0.08 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 1g6l n ARG 1008Cb 0.59 -2.60 -0.01 0.00 -1.02 0.00 0.00 32.46 29.42 1g6l n ARG 1008CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1g6l s PRO 1009N -0.53 3.84 0.02 5.56 0.04 -1.26 -4.98 135.00 137.70 1g6l s PRO 1009Ca 0.65 -1.71 -0.11 0.00 0.04 0.00 0.00 61.00 59.87 1g6l s PRO 1009Cb -0.55 -5.44 -0.05 0.00 0.04 0.00 0.00 34.50 28.49 1g6l s PRO 1009CO 0.49 -2.21 0.35 -0.51 0.04 0.00 0.00 177.00 175.17 1g6l s LEU 1010N 4.34 4.40 0.08 -3.56 1.43 -1.26 -1.34 118.68 122.77 1g6l s LEU 1010Ca 0.50 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 1g6l s LEU 1010Cb 0.02 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1g6l s LEU 1010CO 0.01 0.26 -0.07 0.68 0.23 0.00 0.00 176.35 177.46 1g6l s VAL 1011N -1.24 0.66 -0.08 -1.59 -7.23 -0.47 -4.95 120.40 105.49 1g6l s VAL 1011Ca 0.27 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 1g6l s VAL 1011Cb -0.14 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 1g6l s VAL 1011CO 0.15 -0.73 0.34 0.42 -0.31 0.00 0.00 175.10 174.97 1g6l s THR 1012N -2.98 5.21 0.18 5.32 -4.23 -1.26 -0.53 115.64 117.35 1g6l s THR 1012Ca 0.06 0.67 0.10 0.00 -1.18 0.00 0.00 61.69 61.33 1g6l s THR 1012Cb 0.01 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1g6l s THR 1012CO -0.03 0.49 -0.20 0.27 -0.54 0.00 0.00 174.62 174.61 1g6l s ILE 1013N -0.35 2.04 -0.14 2.99 -4.36 -0.31 -1.75 121.20 119.33 1g6l s ILE 1013Ca 0.20 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1g6l s ILE 1013Cb -0.15 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.61 1g6l s ILE 1013CO 0.08 -0.27 -0.18 -0.75 0.24 0.00 0.00 174.94 174.07 1g6l s LYS 1014N -2.83 2.65 -0.11 0.37 2.20 0.10 -1.67 119.74 120.44 1g6l s LYS 1014Ca 0.19 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 1g6l s LYS 1014Cb -0.06 -2.23 0.05 0.00 -1.51 0.00 0.00 37.83 34.08 1g6l s LYS 1014CO 0.08 -0.09 0.26 -1.50 -0.36 0.00 0.00 175.35 173.73 1g6l s ILE 1015N 1.05 -0.06 -1.63 5.43 2.07 -0.34 -1.56 121.20 126.16 1g6l s ILE 1015Ca -0.03 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1g6l s ILE 1015Cb -0.14 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.05 1g6l s ILE 1015CO -0.05 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1g6l n GLY 1016N 4.30 -0.36 2.59 1.50 0.00 -1.26 -1.91 105.19 110.04 1g6l n GLY 1016Ca -0.24 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1g6l n GLY 1016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6l n GLY 1017N -1.01 0.68 3.52 -0.02 0.00 -1.26 -5.02 105.19 102.08 1g6l n GLY 1017Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1g6l n GLY 1017CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g6l s GLN 1018N -0.14 1.89 -0.13 1.61 -0.21 -0.80 -5.13 119.66 116.74 1g6l s GLN 1018Ca 0.00 -1.25 -0.05 0.00 0.02 0.00 0.00 55.36 54.08 1g6l s GLN 1018Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1g6l s GLN 1018CO 0.00 0.45 0.03 -0.51 -2.12 0.00 0.00 175.29 173.14 1g6l s LEU 1019N -2.51 3.69 0.13 2.90 1.43 -1.26 -1.19 118.68 121.87 1g6l s LEU 1019Ca 0.21 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 1g6l s LEU 1019Cb -0.09 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1g6l s LEU 1019CO 0.12 0.28 0.15 -0.54 0.23 0.00 0.00 176.35 176.60 1g6l s LYS 1020N -0.26 0.98 -0.01 1.70 1.02 -0.67 -5.00 119.74 117.51 1g6l s LYS 1020Ca 0.07 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.80 1g6l s LYS 1020Cb -0.12 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1g6l s LYS 1020CO 0.02 -0.31 0.01 -1.21 -0.92 0.00 0.00 175.35 172.94 1g6l s GLU 1021N -3.99 2.84 0.05 1.68 2.02 -1.26 -1.16 118.70 118.89 1g6l s GLU 1021Ca 0.18 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 1g6l s GLU 1021Cb 0.06 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1g6l s GLU 1021CO -0.01 0.63 -0.01 0.00 0.02 0.00 0.00 175.26 175.89 1g6l s ALA 1022N -1.09 0.41 -0.20 5.21 0.00 0.31 -4.59 121.76 121.80 1g6l s ALA 1022Ca 0.20 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1g6l s ALA 1022Cb -0.12 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1g6l s ALA 1022CO 0.10 -0.36 0.24 -1.17 0.00 0.00 0.00 175.76 174.57 1g6l s LEU 1023N -2.77 4.18 -0.35 0.00 2.96 0.04 -1.36 118.68 121.39 1g6l s LEU 1023Ca 0.05 0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 54.01 1g6l s LEU 1023Cb 0.06 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1g6l s LEU 1023CO -0.09 0.07 1.60 -0.76 -1.32 0.00 0.00 176.35 175.85 1g6l s LEU 1024N 0.77 3.59 -0.36 -0.68 1.02 -0.45 -0.64 118.68 121.94 1g6l s LEU 1024Ca 0.13 1.14 0.03 0.00 0.02 0.00 0.00 54.13 55.45 1g6l s LEU 1024Cb -0.13 -3.53 0.10 0.00 0.02 0.00 0.00 46.19 42.65 1g6l s LEU 1024CO 0.04 -1.52 0.08 -0.62 0.02 0.00 0.00 176.35 174.35 1g6l s ASP 1025N 4.85 4.62 0.50 2.29 -1.08 -0.25 -4.02 116.67 123.58 1g6l s ASP 1025Ca 0.70 -2.20 0.33 0.00 -0.52 0.00 0.00 52.55 50.86 1g6l s ASP 1025Cb -0.19 -1.54 1.45 0.00 -1.46 0.00 0.00 42.92 41.18 1g6l s ASP 1025CO 0.32 -0.37 1.97 0.71 0.52 0.00 0.00 175.17 178.33 1g6l h THR 1026N 6.46 0.00 -0.02 1.71 1.35 -1.83 -2.54 112.91 118.04 1g6l h THR 1026Ca -0.05 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1g6l h THR 1026Cb 1.00 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1g6l h THR 1026CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1g6l n GLY 1027N -0.22 -0.26 3.52 5.82 0.00 -1.26 -4.70 105.19 108.09 1g6l n GLY 1027Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1g6l n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g6l s ALA 1028N -1.99 3.06 0.13 4.61 0.00 -0.95 -4.99 121.76 121.63 1g6l s ALA 1028Ca 0.40 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.61 1g6l s ALA 1028Cb 0.21 -1.61 -0.17 0.00 0.00 0.00 0.00 23.12 21.54 1g6l s ALA 1028CO 0.34 0.20 1.29 -0.44 0.00 0.00 0.00 175.76 177.15 1g6l h ASP 1029N 6.71 0.04 -1.97 0.00 3.45 -1.88 0.32 116.42 123.08 1g6l h ASP 1029Ca -0.32 -0.04 -0.58 0.00 0.43 0.00 0.00 57.03 56.53 1g6l h ASP 1029Cb 1.19 -0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 39.84 1g6l h ASP 1029CO 0.64 1.00 -0.62 -1.81 -1.57 0.00 0.00 179.24 176.88 1g6l s ASP 1030N -6.76 4.27 -0.20 6.45 -0.00 -1.26 -2.42 116.67 116.76 1g6l s ASP 1030Ca 0.00 -0.91 -0.11 0.00 -0.00 0.00 0.00 52.55 51.53 1g6l s ASP 1030Cb 0.10 -0.59 -0.05 0.00 -0.00 0.00 0.00 42.92 42.38 1g6l s ASP 1030CO 0.82 -0.19 0.19 -0.89 -0.00 0.00 0.00 175.17 175.09 1g6l s THR 1031N -2.48 5.37 -0.06 -1.27 2.01 -1.26 -3.42 115.64 114.53 1g6l s THR 1031Ca 0.34 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1g6l s THR 1031Cb -0.02 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1g6l s THR 1031CO 0.20 0.41 -0.04 0.54 -0.69 0.00 0.00 174.62 175.03 1g6l s VAL 1032N 0.52 0.61 0.07 3.82 0.11 -0.54 -1.32 120.40 123.67 1g6l s VAL 1032Ca 0.11 -0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1g6l s VAL 1032Cb -0.12 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1g6l s VAL 1032CO 0.01 0.26 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.08 1g6l s LEU 1033N 1.29 2.55 1.04 2.54 1.43 0.15 -0.58 118.68 127.10 1g6l s LEU 1033Ca -0.05 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 1g6l s LEU 1033Cb -0.14 -1.47 0.15 0.00 0.03 0.00 0.00 46.19 44.77 1g6l s LEU 1033CO -0.02 0.23 0.72 -1.84 0.23 0.00 0.00 176.35 175.67 1g6l n GLU 1034N 1.32 -1.19 -1.68 1.70 0.28 -1.25 -0.40 120.64 119.42 1g6l n GLU 1034Ca -0.16 -0.31 -0.45 0.00 -0.16 0.00 0.00 57.16 56.08 1g6l n GLU 1034Cb 0.52 -2.07 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 1g6l n GLU 1034CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1g6l n GLU 1035N -3.43 2.32 -3.86 3.44 0.00 -1.14 -4.38 120.64 113.58 1g6l n GLU 1035Ca 0.06 0.84 -0.09 0.00 0.00 0.00 0.00 57.16 57.97 1g6l n GLU 1035Cb 0.55 -2.63 -0.04 0.00 0.00 0.00 0.00 31.44 29.31 1g6l n GLU 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g6l s MET 1036N 1.24 1.50 -0.68 5.31 0.23 -1.26 -5.03 119.30 120.62 1g6l s MET 1036Ca 0.79 -1.04 -0.26 0.00 -1.03 0.00 0.00 55.69 54.15 1g6l s MET 1036Cb -0.63 0.51 0.04 0.00 -1.53 0.00 0.00 34.83 33.21 1g6l s MET 1036CO 0.37 -0.64 1.19 0.45 -2.03 0.00 0.00 175.02 174.36 1g6l s SER 1037N -2.94 6.24 -0.05 -1.18 0.15 -1.26 -5.00 113.70 109.66 1g6l s SER 1037Ca 0.15 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1g6l s SER 1037Cb -0.02 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1g6l s SER 1037CO 0.03 -1.65 -0.20 -0.22 1.20 0.00 0.00 173.24 172.40 1g6l s LEU 1038N 5.17 1.96 0.46 3.45 2.96 -1.26 -4.92 118.68 126.50 1g6l s LEU 1038Ca 0.34 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 1g6l s LEU 1038Cb -0.10 -1.11 -0.06 0.00 0.50 0.00 0.00 46.19 45.42 1g6l s LEU 1038CO 0.17 0.18 0.85 -2.16 -1.32 0.00 0.00 176.35 174.07 1g6l s PRO 1039N 0.02 3.80 0.00 0.98 0.04 -1.26 -5.00 135.00 133.59 1g6l s PRO 1039Ca -0.05 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1g6l s PRO 1039Cb -0.13 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1g6l s PRO 1039CO 0.03 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1g6l n GLY 1040N -1.55 -1.70 3.86 0.56 0.00 -1.26 -5.00 105.19 100.09 1g6l n GLY 1040Ca 0.04 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 1g6l n GLY 1040CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g6l s ARG 1041N -0.54 3.89 0.06 1.61 3.52 -1.26 -5.09 118.95 121.13 1g6l s ARG 1041Ca 0.00 0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1g6l s ARG 1041Cb 0.00 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1g6l s ARG 1041CO 0.00 0.47 0.06 1.67 -0.81 0.00 0.00 175.30 176.68 1g6l s TRP 1042N -1.51 0.34 -0.05 5.12 1.48 -1.26 -4.70 118.94 118.36 1g6l s TRP 1042Ca 0.38 -0.80 0.06 0.00 -1.06 0.00 0.00 56.10 54.68 1g6l s TRP 1042Cb -0.14 -0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1g6l s TRP 1042CO 0.19 -0.42 -0.22 0.15 -4.06 0.00 0.00 176.95 172.60 1g6l s LYS 1043N -3.56 2.42 0.57 3.25 1.02 -0.02 -4.80 119.74 118.61 1g6l s LYS 1043Ca 0.03 -0.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.99 1g6l s LYS 1043Cb 0.05 -2.21 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1g6l s LYS 1043CO -0.09 0.51 1.17 -2.14 -0.92 0.00 0.00 175.35 173.88 1g6l s PRO 1044N -0.47 3.17 -0.00 -1.68 0.02 -1.26 0.14 135.00 134.92 1g6l s PRO 1044Ca 0.06 1.73 -0.23 0.00 0.02 0.00 0.00 61.00 62.57 1g6l s PRO 1044Cb -0.12 -1.97 0.05 0.00 0.02 0.00 0.00 34.50 32.48 1g6l s PRO 1044CO 0.01 -1.03 0.51 0.21 -0.33 0.00 0.00 177.00 176.38 1g6l s LYS 1045N -3.30 0.94 -0.16 5.54 2.20 0.37 -4.81 119.74 120.52 1g6l s LYS 1045Ca 0.75 -0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1g6l s LYS 1045Cb -0.27 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1g6l s LYS 1045CO 0.30 -0.31 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.25 1g6l s MET 1046N -1.74 3.41 0.04 4.03 -1.94 -1.26 0.25 119.30 122.09 1g6l s MET 1046Ca -0.09 -0.65 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1g6l s MET 1046Cb -0.02 -2.78 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 1g6l s MET 1046CO 0.04 0.08 -0.22 0.96 -0.01 0.00 0.00 175.02 175.87 1g6l s ILE 1047N 0.72 1.76 0.29 2.53 -4.36 -0.34 -4.95 121.20 116.86 1g6l s ILE 1047Ca -0.04 -1.22 0.07 0.00 -0.26 0.00 0.00 60.65 59.19 1g6l s ILE 1047Cb -0.15 -1.52 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 1g6l s ILE 1047CO 0.02 0.25 0.28 -0.83 0.24 0.00 0.00 174.94 174.90 1g6l s GLY 1048N -1.15 1.55 0.00 6.27 0.00 -1.26 -0.14 107.32 112.59 1g6l s GLY 1048Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1g6l s GLY 1048CO 0.02 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.25 1g6l n GLY 1049N -1.32 2.61 0.16 0.20 0.00 0.25 -4.94 105.19 102.15 1g6l n GLY 1049Ca -0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 1g6l n GLY 1049CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1g6l h ILE 1050N 0.43 0.87 -0.00 -0.61 5.03 -1.89 -2.00 117.51 119.34 1g6l h ILE 1050Ca 0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1g6l h ILE 1050Cb 0.00 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 34.37 1g6l h ILE 1050CO 0.00 0.05 -0.04 0.61 -0.68 0.00 0.00 178.15 178.09 1g6l n GLY 1051N -1.23 -1.14 0.00 5.37 0.00 -0.23 -4.83 105.19 103.13 1g6l n GLY 1051Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1g6l n GLY 1051CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6l n GLY 1052N 1.26 0.40 3.61 -0.02 0.00 -0.75 -4.16 105.19 105.52 1g6l n GLY 1052Ca 0.15 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 1g6l n GLY 1052CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g6l s PHE 1053N -2.47 2.54 0.03 1.61 -0.00 -1.26 0.87 117.98 119.30 1g6l s PHE 1053Ca 0.00 -0.37 -0.00 0.00 -0.00 0.00 0.00 56.93 56.56 1g6l s PHE 1053Cb 0.00 -1.33 -0.03 0.00 -0.00 0.00 0.00 43.02 41.66 1g6l s PHE 1053CO 0.00 0.56 -0.03 0.96 -0.00 0.00 0.00 175.22 176.70 1g6l s ILE 1054N -2.47 0.19 -0.17 -4.49 -4.36 0.81 -4.63 121.20 106.07 1g6l s ILE 1054Ca 0.33 -1.29 -0.13 0.00 -0.26 0.00 0.00 60.65 59.30 1g6l s ILE 1054Cb -0.02 -0.80 -0.05 0.00 1.25 0.00 0.00 42.46 42.84 1g6l s ILE 1054CO 0.19 -0.69 0.25 -0.75 0.24 0.00 0.00 174.94 174.18 1g6l s LYS 1055N -2.47 4.24 0.23 0.37 2.20 -1.26 -1.20 119.74 121.86 1g6l s LYS 1055Ca -0.06 0.02 0.07 0.00 -0.36 0.00 0.00 55.97 55.64 1g6l s LYS 1055Cb -0.03 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1g6l s LYS 1055CO -0.04 0.25 -0.12 0.14 -0.36 0.00 0.00 175.35 175.22 1g6l s VAL 1056N 0.45 1.70 -0.14 4.02 -7.23 0.14 -4.60 120.40 114.74 1g6l s VAL 1056Ca 0.14 -2.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 1g6l s VAL 1056Cb -0.12 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1g6l s VAL 1056CO 0.02 -0.50 0.28 -0.13 -0.31 0.00 0.00 175.10 174.47 1g6l s ARG 1057N -3.67 4.14 -0.25 4.82 0.52 0.01 -0.48 118.95 124.03 1g6l s ARG 1057Ca 0.25 0.10 -0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1g6l s ARG 1057Cb 0.01 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1g6l s ARG 1057CO 0.08 0.34 0.10 -1.14 0.02 0.00 0.00 175.30 174.70 1g6l s GLN 1058N 0.16 3.76 -0.11 3.54 0.74 0.37 -1.09 119.66 127.02 1g6l s GLN 1058Ca 0.17 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1g6l s GLN 1058Cb -0.13 -3.39 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 1g6l s GLN 1058CO 0.05 -0.13 -0.12 0.71 -0.55 0.00 0.00 175.29 175.24 1g6l s TYR 1059N 1.50 2.81 0.29 1.67 1.51 -0.51 -0.84 117.35 123.77 1g6l s TYR 1059Ca 0.06 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1g6l s TYR 1059Cb -0.15 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1g6l s TYR 1059CO 0.05 -0.10 0.10 -0.51 -1.11 0.00 0.00 175.55 173.98 1g6l s ASP 1060N 0.10 4.88 -1.43 2.29 -0.00 -1.26 -0.12 116.67 121.13 1g6l s ASP 1060Ca -0.05 -0.57 -0.09 0.00 -0.00 0.00 0.00 52.55 51.84 1g6l s ASP 1060Cb -0.15 -0.97 0.05 0.00 -0.00 0.00 0.00 42.92 41.85 1g6l s ASP 1060CO 0.04 -0.11 0.98 0.00 -0.00 0.00 0.00 175.17 176.09 1g6l n GLN 1061N -1.06 -6.07 -3.56 8.23 1.13 -1.08 -4.88 117.38 110.07 1g6l n GLN 1061Ca -0.06 0.67 -0.37 0.00 -1.94 0.00 0.00 57.00 55.31 1g6l n GLN 1061Cb 0.59 -5.55 -0.07 0.00 0.11 0.00 0.00 30.24 25.33 1g6l n GLN 1061CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1g6l s ILE 1062N -3.38 5.27 -0.07 5.09 -1.09 0.60 -4.77 121.20 122.85 1g6l s ILE 1062Ca 0.48 0.58 -0.25 0.00 -2.23 0.00 0.00 60.65 59.23 1g6l s ILE 1062Cb -0.23 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1g6l s ILE 1062CO 0.80 0.45 0.76 -0.22 -1.23 0.00 0.00 174.94 175.50 1g6l s LEU 1063N -0.01 4.31 -0.02 2.97 2.96 -1.26 -1.66 118.68 125.96 1g6l s LEU 1063Ca 0.18 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1g6l s LEU 1063Cb -0.14 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 1g6l s LEU 1063CO 0.06 -0.17 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.15 1g6l s ILE 1064N 0.97 1.17 -0.35 6.68 1.01 -0.01 -4.39 121.20 126.28 1g6l s ILE 1064Ca 0.40 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1g6l s ILE 1064Cb -0.18 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.37 1g6l s ILE 1064CO 0.19 0.34 0.11 -1.61 0.00 0.00 0.00 174.94 173.97 1g6l s GLU 1065N -0.17 2.31 -0.28 2.79 2.02 -0.60 -0.34 118.70 124.43 1g6l s GLU 1065Ca 0.02 -1.47 -0.10 0.00 0.02 0.00 0.00 54.97 53.44 1g6l s GLU 1065Cb -0.08 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1g6l s GLU 1065CO 0.00 -0.82 0.17 0.42 0.02 0.00 0.00 175.26 175.06 1g6l s ILE 1066N 1.24 5.07 -1.67 -1.63 1.01 0.13 -0.72 121.20 124.63 1g6l s ILE 1066Ca 0.01 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1g6l s ILE 1066Cb -0.21 -3.44 0.11 0.00 0.01 0.00 0.00 42.46 38.93 1g6l s ILE 1066CO -0.01 0.23 0.40 0.00 0.00 0.00 0.00 174.94 175.55 1g6l n GLY 1068N -1.79 0.49 3.31 0.00 0.00 -1.26 -5.02 105.19 100.92 1g6l n GLY 1068Ca -0.11 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1g6l n GLY 1068CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g6l s HIS 1069N -1.95 2.67 0.10 1.61 4.02 0.12 -5.10 115.29 116.75 1g6l s HIS 1069Ca 0.00 -0.75 -0.22 0.00 1.02 0.00 0.00 55.06 55.11 1g6l s HIS 1069Cb 0.00 -1.75 -0.07 0.00 -1.02 0.00 0.00 32.58 29.74 1g6l s HIS 1069CO 0.00 -0.25 0.66 0.15 1.02 0.00 0.00 174.74 176.32 1g6l s LYS 1070N 0.19 4.37 -0.01 1.40 1.02 -1.26 0.18 119.74 125.63 1g6l s LYS 1070Ca -0.11 0.92 -0.13 0.00 0.02 0.00 0.00 55.97 56.67 1g6l s LYS 1070Cb -0.16 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1g6l s LYS 1070CO 0.06 0.56 0.27 0.00 -0.92 0.00 0.00 175.35 175.31 1g6l s ALA 1071N -0.94 -0.67 -0.06 5.17 0.00 0.54 -4.91 121.76 120.89 1g6l s ALA 1071Ca 0.32 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.53 1g6l s ALA 1071Cb -0.21 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1g6l s ALA 1071CO 0.22 -0.25 -0.21 0.42 0.00 0.00 0.00 175.76 175.94 1g6l s ILE 1072N -1.35 1.74 -0.01 0.00 1.01 -1.26 -0.83 121.20 120.49 1g6l s ILE 1072Ca -0.14 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 1g6l s ILE 1072Cb -0.06 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1g6l s ILE 1072CO 0.04 0.49 0.39 0.61 0.00 0.00 0.00 174.94 176.47 1g6l n GLY 1073N 3.21 0.44 3.73 6.18 0.00 -0.67 -4.88 105.19 113.20 1g6l n GLY 1073Ca -0.18 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1g6l n GLY 1073CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g6l s THR 1074N -2.08 4.01 -0.07 2.61 2.01 -1.26 -0.29 115.64 120.57 1g6l s THR 1074Ca 0.09 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1g6l s THR 1074Cb -0.00 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1g6l s THR 1074CO -0.00 0.25 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.40 1g6l s VAL 1075N 0.06 0.88 -0.19 3.82 1.01 0.82 -4.57 120.40 122.24 1g6l s VAL 1075Ca 0.51 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1g6l s VAL 1075Cb -0.28 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1g6l s VAL 1075CO 0.33 0.31 0.19 -0.76 0.00 0.00 0.00 175.10 175.17 1g6l s LEU 1076N 0.98 4.22 -0.13 3.92 1.43 -0.43 -1.43 118.68 127.24 1g6l s LEU 1076Ca -0.09 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1g6l s LEU 1076Cb -0.15 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1g6l s LEU 1076CO 0.00 0.15 -0.12 -0.69 0.23 0.00 0.00 176.35 175.92 1g6l s VAL 1077N 0.39 3.12 -0.18 -1.59 1.01 -0.25 0.30 120.40 123.20 1g6l s VAL 1077Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1g6l s VAL 1077Cb -0.12 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1g6l s VAL 1077CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1g6l n GLY 1078N 3.54 -1.05 2.37 4.51 0.00 0.47 -0.81 105.19 114.21 1g6l n GLY 1078Ca -0.18 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1g6l n GLY 1078CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1g6l n PRO 1079N 0.00 1.98 -2.71 1.61 -0.04 -1.26 -2.90 135.00 131.68 1g6l n PRO 1079Ca 0.00 -1.21 -0.30 0.00 -0.04 0.00 0.00 63.50 61.95 1g6l n PRO 1079Cb 0.00 -2.22 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 1g6l n PRO 1079CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1g6l s THR 1080N 2.45 4.77 -0.19 0.52 2.01 -1.26 -4.78 115.64 119.16 1g6l s THR 1080Ca 0.46 0.65 0.17 0.00 0.31 0.00 0.00 61.69 63.28 1g6l s THR 1080Cb 0.16 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.95 1g6l s THR 1080CO -0.02 -0.63 1.25 -0.65 -0.69 0.00 0.00 174.62 173.88 1g6l h PRO 1081N 0.97 0.00 -3.64 4.92 0.11 -1.91 -3.43 132.00 129.03 1g6l h PRO 1081Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 1g6l h PRO 1081Cb 1.19 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.04 1g6l h PRO 1081CO 0.63 0.33 -0.64 0.08 -0.21 0.00 0.00 178.00 178.19 1g6l s VAL 1082N -3.02 0.03 0.08 3.15 1.01 -1.26 -5.06 120.40 115.32 1g6l s VAL 1082Ca 0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1g6l s VAL 1082Cb 0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 36.23 1g6l s VAL 1082CO 0.76 -0.12 1.38 0.20 0.00 0.00 0.00 175.10 177.32 1g6l s ASN 1083N -0.36 6.85 -0.12 3.32 0.01 -1.26 -4.74 114.94 118.63 1g6l s ASN 1083Ca -0.04 2.25 0.02 0.00 -0.71 0.00 0.00 52.86 54.38 1g6l s ASN 1083Cb -0.03 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 1g6l s ASN 1083CO 0.00 -0.66 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.11 1g6l s ILE 1084N 1.44 2.40 -0.34 0.60 -1.09 0.26 -0.78 121.20 123.69 1g6l s ILE 1084Ca 0.64 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 1g6l s ILE 1084Cb -0.35 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1g6l s ILE 1084CO 0.29 0.54 0.20 -0.63 -1.23 0.00 0.00 174.94 174.12 1g6l s ILE 1085N 0.50 4.83 0.35 2.92 -1.09 0.18 -1.47 121.20 127.43 1g6l s ILE 1085Ca -0.13 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1g6l s ILE 1085Cb -0.17 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1g6l s ILE 1085CO 0.05 -0.06 0.48 0.61 -1.23 0.00 0.00 174.94 174.79 1g6l n GLY 1086N 5.03 1.16 0.28 6.18 0.00 -1.22 -1.09 105.19 115.53 1g6l n GLY 1086Ca -0.13 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 43.95 1g6l n GLY 1086CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g6l h ARG 1087N 0.00 0.00 0.00 1.61 3.08 -0.38 -1.31 114.38 117.38 1g6l h ARG 1087Ca -0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1g6l h ARG 1087Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1g6l h ARG 1087CO 0.19 0.03 -0.07 -2.95 -1.07 0.00 0.00 179.97 176.10 1g6l h ASN 1088N 0.00 0.00 0.00 7.04 -1.07 -1.73 -2.72 115.58 117.10 1g6l h ASN 1088Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.09 1g6l h ASN 1088Cb 0.07 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.26 1g6l h ASN 1088CO 0.00 0.07 -2.09 0.18 0.07 0.00 0.00 177.43 175.67 1g6l n LEU 1089N -4.19 0.00 -0.09 6.14 4.77 -0.73 -4.52 117.00 118.38 1g6l n LEU 1089Ca -0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1g6l n LEU 1089Cb 0.15 0.38 0.30 0.00 -2.33 0.00 0.00 43.42 41.93 1g6l n LEU 1089CO 0.33 0.38 1.11 -0.07 -1.33 0.00 0.00 177.39 177.81 1g6l h LEU 1090N 0.00 0.65 -1.58 2.23 3.38 -1.16 -1.20 115.31 117.64 1g6l h LEU 1090Ca -0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1g6l h LEU 1090Cb 1.95 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1g6l h LEU 1090CO 0.02 0.55 -0.12 0.71 0.09 0.00 0.00 178.44 179.69 1g6l h THR 1091N 0.74 0.36 0.01 0.22 1.35 -1.72 -1.83 112.91 112.04 1g6l h THR 1091Ca 0.19 -0.70 -0.20 0.00 -0.55 0.00 0.00 66.41 65.15 1g6l h THR 1091Cb 0.05 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1g6l h THR 1091CO -0.03 0.11 -0.91 1.56 -0.25 0.00 0.00 175.52 176.00 1g6l h GLN 1092N 0.00 0.07 -0.56 4.72 4.20 -1.45 -3.15 115.11 118.94 1g6l h GLN 1092Ca -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1g6l h GLN 1092Cb 0.51 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1g6l h GLN 1092CO 0.02 0.93 0.00 0.44 -0.67 0.00 0.00 178.83 179.54 1g6l n ILE 1093N -3.53 0.89 -3.10 2.54 -5.35 -1.16 -4.94 119.36 104.71 1g6l n ILE 1093Ca -0.02 -0.76 -0.17 0.00 -0.27 0.00 0.00 62.75 61.53 1g6l n ILE 1093Cb 0.85 0.27 0.05 0.00 -1.74 0.00 0.00 39.64 39.06 1g6l n ILE 1093CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g6l n GLY 1094N 1.24 -0.13 3.72 3.28 0.00 -1.18 -4.80 105.19 107.31 1g6l n GLY 1094Ca 0.18 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1g6l n GLY 1094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g6l s THR 1096N 0.95 1.70 -0.10 0.00 -4.23 0.46 -4.29 115.64 110.13 1g6l s THR 1096Ca 0.63 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1g6l s THR 1096Cb -0.36 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 1g6l s THR 1096CO 0.31 -0.30 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.83 1g6l s LEU 1097N -2.52 3.30 -0.03 4.79 2.96 -0.13 -1.64 118.68 125.41 1g6l s LEU 1097Ca 0.13 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1g6l s LEU 1097Cb -0.06 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1g6l s LEU 1097CO 0.06 0.30 -0.09 0.20 -1.32 0.00 0.00 176.35 175.50 1g6l s ASN 1098N -0.45 1.24 0.00 3.68 0.01 -0.60 0.03 114.94 118.85 1g6l s ASN 1098Ca 0.07 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1g6l s ASN 1098Cb -0.12 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.19 1g6l s ASN 1098CO 0.02 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.89