#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8l s ILE 2 N 0.00 4.34 -0.55 3.17 1.01 -1.26 -4.88 121.20 123.02 1d8l s ILE 2 Ca 0.00 0.89 0.14 0.00 0.00 0.00 0.00 60.65 61.69 1d8l s ILE 2 Cb 0.00 -4.52 -0.17 0.00 0.01 0.00 0.00 42.46 37.78 1d8l s ILE 2 CO 0.00 -0.96 0.55 0.61 0.00 0.00 0.00 174.94 175.15 1d8l n GLY 3 N 4.93 -0.40 3.44 6.18 0.00 -1.26 -4.22 105.19 113.86 1d8l n GLY 3 Ca 0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1d8l n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1d8l s ARG 4 N -2.46 0.83 -0.05 1.61 3.52 -1.26 -1.85 118.95 119.29 1d8l s ARG 4 Ca 0.03 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 1d8l s ARG 4 Cb 0.10 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1d8l s ARG 4 CO 0.59 -0.21 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.25 1d8l s LEU 5 N -0.69 1.65 -0.19 -0.88 1.43 -0.81 -4.94 118.68 114.24 1d8l s LEU 5 Ca -0.08 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1d8l s LEU 5 Cb -0.03 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.50 1d8l s LEU 5 CO 0.05 0.04 -0.04 -0.60 0.23 0.00 0.00 176.35 176.03 1d8l s ARG 6 N 0.56 1.35 0.00 1.70 3.52 -1.26 -1.62 118.95 123.21 1d8l s ARG 6 Ca -0.11 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1d8l s ARG 6 Cb -0.14 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 1d8l s ARG 6 CO 0.03 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1d8l n GLY 7 N 4.84 2.39 3.76 8.12 0.00 -1.05 -4.76 105.19 118.49 1d8l n GLY 7 Ca -0.11 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1d8l n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d8l s ILE 8 N -2.76 5.38 -0.12 -0.61 -1.09 0.24 -0.76 121.20 121.48 1d8l s ILE 8 Ca 0.00 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.44 1d8l s ILE 8 Cb 0.00 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1d8l s ILE 8 CO 0.00 0.47 1.37 -0.63 -1.23 0.00 0.00 174.94 174.92 1d8l s ILE 9 N 0.07 4.05 -0.22 2.92 1.01 -0.73 -1.00 121.20 127.30 1d8l s ILE 9 Ca 0.12 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 62.04 1d8l s ILE 9 Cb -0.12 -3.84 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 1d8l s ILE 9 CO 0.01 -0.10 -0.07 -0.38 0.00 0.00 0.00 174.94 174.41 1d8l n ILE 10 N 5.30 1.57 -3.57 2.92 2.08 -0.20 -1.06 119.36 126.40 1d8l n ILE 10 Ca 0.15 -0.56 -0.16 0.00 0.56 0.00 0.00 62.75 62.74 1d8l n ILE 10 Cb 0.44 -1.56 -0.06 0.00 -0.75 0.00 0.00 39.64 37.71 1d8l n ILE 10 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1d8l s GLU 11 N -2.52 0.95 -0.16 0.38 -1.05 -1.23 -4.87 118.70 110.18 1d8l s GLU 11 Ca -0.32 0.56 0.01 0.00 -0.15 0.00 0.00 54.97 55.08 1d8l s GLU 11 Cb 0.09 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.24 1d8l s GLU 11 CO 0.64 -0.23 -0.19 0.15 0.95 0.00 0.00 175.26 176.58 1d8l s LYS 12 N -0.52 3.08 -0.43 -4.83 1.02 -1.26 -1.51 119.74 115.29 1d8l s LYS 12 Ca -0.06 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.18 1d8l s LYS 12 Cb -0.02 -2.56 0.20 0.00 -0.52 0.00 0.00 37.83 34.93 1d8l s LYS 12 CO 0.06 -0.08 0.53 0.00 -0.92 0.00 0.00 175.35 174.93 1d8l n GLN 13 N 4.29 0.47 -1.49 1.68 -0.00 0.09 -5.02 117.38 117.39 1d8l n GLN 13 Ca -0.20 -2.81 -0.58 0.00 -0.00 0.00 0.00 57.00 53.40 1d8l n GLN 13 Cb 0.51 -1.48 -0.08 0.00 -0.00 0.00 0.00 30.24 29.19 1d8l n GLN 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1d8l n PRO 14 N 2.31 0.00 -0.09 2.61 -0.02 -1.26 0.77 135.00 139.33 1d8l n PRO 14 Ca 0.23 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 1d8l n PRO 14 Cb 0.53 -1.46 0.32 0.00 -0.02 0.00 0.00 33.50 32.87 1d8l n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1d8l n PRO 15 N 1.79 1.57 -3.35 0.52 -0.04 -1.26 -5.09 135.00 129.14 1d8l n PRO 15 Ca 0.21 -0.87 -0.33 0.00 -0.04 0.00 0.00 63.50 62.47 1d8l n PRO 15 Cb 0.06 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1d8l n PRO 15 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d8l s LEU 16 N -1.38 4.19 -0.04 1.53 1.43 0.23 -1.97 118.68 122.68 1d8l s LEU 16 Ca 0.27 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1d8l s LEU 16 Cb 0.14 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.73 1d8l s LEU 16 CO 0.21 -0.05 -0.01 -0.69 0.23 0.00 0.00 176.35 176.03 1d8l s VAL 17 N -1.76 0.32 -0.32 -1.59 1.01 -0.73 -0.73 120.40 116.60 1d8l s VAL 17 Ca 0.46 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1d8l s VAL 17 Cb -0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1d8l s VAL 17 CO 0.20 0.19 0.26 -0.22 0.00 0.00 0.00 175.10 175.52 1d8l s LEU 18 N 1.14 4.33 -0.14 3.92 2.96 -0.57 -1.26 118.68 129.06 1d8l s LEU 18 Ca -0.08 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1d8l s LEU 18 Cb -0.14 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.39 1d8l s LEU 18 CO -0.02 -0.19 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.15 1d8l s ILE 19 N 1.81 1.66 -0.26 6.68 2.07 -0.55 -1.04 121.20 131.57 1d8l s ILE 19 Ca 0.08 -0.70 -0.20 0.00 -1.41 0.00 0.00 60.65 58.42 1d8l s ILE 19 Cb -0.17 -1.53 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 1d8l s ILE 19 CO 0.11 0.47 0.61 -0.70 -1.91 0.00 0.00 174.94 173.52 1d8l s GLU 20 N 1.32 4.10 -0.20 3.50 2.12 -0.17 -1.07 118.70 128.29 1d8l s GLU 20 Ca 0.02 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.86 1d8l s GLU 20 Cb -0.13 -3.65 0.03 0.00 0.26 0.00 0.00 34.13 30.64 1d8l s GLU 20 CO -0.09 -0.40 -0.16 0.08 -0.54 0.00 0.00 175.26 174.15 1d8l s VAL 21 N 2.47 2.00 0.00 3.70 1.01 -0.61 -0.59 120.40 128.37 1d8l s VAL 21 Ca 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1d8l s VAL 21 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1d8l s VAL 21 CO 0.09 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1d8l n GLY 22 N 4.58 2.28 0.02 4.51 0.00 -1.26 -1.42 105.19 113.90 1d8l n GLY 22 Ca -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1d8l n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d8l n GLY 23 N 0.00 2.95 3.59 -0.02 0.00 -1.26 -4.96 105.19 105.48 1d8l n GLY 23 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1d8l n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d8l s VAL 24 N -0.99 4.58 -0.48 1.61 1.01 -0.51 -5.01 120.40 120.61 1d8l s VAL 24 Ca 0.01 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 1d8l s VAL 24 Cb 0.00 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1d8l s VAL 24 CO 0.00 -0.62 0.90 -0.83 0.00 0.00 0.00 175.10 174.56 1d8l s GLY 25 N 2.00 1.48 -0.10 4.51 0.00 -1.26 -1.57 107.32 112.38 1d8l s GLY 25 Ca 0.36 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 44.02 1d8l s GLY 25 CO 0.21 1.99 0.36 -0.19 0.00 0.00 0.00 173.10 175.47 1d8l s TYR 26 N 3.71 3.56 -0.29 1.90 2.02 -0.23 -4.88 117.35 123.14 1d8l s TYR 26 Ca 0.34 0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 57.62 1d8l s TYR 26 Cb -0.11 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.10 1d8l s TYR 26 CO 0.24 0.38 0.62 -1.21 -1.57 0.00 0.00 175.55 174.01 1d8l s GLU 27 N -0.08 3.96 -0.11 -0.62 2.02 -1.26 -1.48 118.70 121.13 1d8l s GLU 27 Ca 0.21 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.57 1d8l s GLU 27 Cb -0.14 -3.70 -0.01 0.00 0.10 0.00 0.00 34.13 30.37 1d8l s GLU 27 CO 0.08 -0.51 -0.17 0.08 0.02 0.00 0.00 175.26 174.75 1d8l s VAL 28 N 2.55 2.67 -0.27 2.63 1.01 -0.39 -4.33 120.40 124.26 1d8l s VAL 28 Ca 0.25 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1d8l s VAL 28 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1d8l s VAL 28 CO 0.11 0.54 0.27 -1.00 0.00 0.00 0.00 175.10 175.02 1d8l s HIS 29 N 0.22 3.23 0.14 5.22 0.09 0.02 -1.77 115.29 122.43 1d8l s HIS 29 Ca -0.11 0.25 0.08 0.00 -0.00 0.00 0.00 55.06 55.28 1d8l s HIS 29 Cb -0.16 -2.47 -0.04 0.00 -0.00 0.00 0.00 32.58 29.91 1d8l s HIS 29 CO 0.06 -0.19 -0.19 -1.64 -0.00 0.00 0.00 174.74 172.78 1d8l s MET 30 N 1.90 1.19 0.40 1.40 -1.94 -0.83 -0.62 119.30 120.79 1d8l s MET 30 Ca 0.11 -1.30 -0.27 0.00 -1.71 0.00 0.00 55.69 52.52 1d8l s MET 30 Cb -0.16 -1.30 -0.10 0.00 2.01 0.00 0.00 34.83 35.27 1d8l s MET 30 CO 0.10 0.28 1.40 -2.30 -0.01 0.00 0.00 175.02 174.50 1d8l n PRO 31 N 0.62 2.36 -0.23 2.03 -0.02 -1.26 -4.79 135.00 133.70 1d8l n PRO 31 Ca -0.16 0.83 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 1d8l n PRO 31 Cb 0.56 -2.55 0.15 0.00 -0.02 0.00 0.00 33.50 31.63 1d8l n PRO 31 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1d8l h MET 32 N 2.58 0.21 -0.56 -0.52 2.86 -1.85 -1.73 114.93 115.92 1d8l h MET 32 Ca -0.49 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.30 1d8l h MET 32 Cb 1.26 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1d8l h MET 32 CO 0.62 0.14 0.43 1.79 1.06 0.00 0.00 176.91 180.95 1d8l h THR 33 N 0.21 0.64 0.00 2.22 1.35 -1.80 -1.75 112.91 113.78 1d8l h THR 33 Ca 0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.21 1d8l h THR 33 Cb 0.63 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1d8l h THR 33 CO -0.51 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 174.61 1d8l n PHE 35 N -3.47 0.00 0.98 0.00 3.01 -0.66 -2.26 117.46 115.07 1d8l n PHE 35 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1d8l n PHE 35 Cb 0.31 -0.47 0.33 0.00 -0.01 0.00 0.00 39.48 39.64 1d8l n PHE 35 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1d8l n TYR 36 N -1.47 0.03 0.71 1.38 4.01 -1.16 -3.81 117.16 116.86 1d8l n TYR 36 Ca 0.04 0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1d8l n TYR 36 Cb 0.16 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 38.78 1d8l n TYR 36 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1d8l n GLU 37 N -1.53 1.98 -2.62 -0.72 4.71 -0.96 -5.00 120.64 116.51 1d8l n GLU 37 Ca 0.06 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1d8l n GLU 37 Cb 0.34 -1.22 -0.03 0.00 -1.01 0.00 0.00 31.44 29.53 1d8l n GLU 37 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1d8l s LEU 38 N -2.67 4.32 0.84 -4.62 1.43 -1.21 -5.02 118.68 111.76 1d8l s LEU 38 Ca 0.06 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 1d8l s LEU 38 Cb 0.12 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1d8l s LEU 38 CO 0.61 -0.39 0.23 -2.65 0.23 0.00 0.00 176.35 174.37 1d8l n PRO 39 N 4.39 0.01 -1.10 1.29 -0.02 -1.26 -4.91 135.00 133.39 1d8l n PRO 39 Ca 0.08 0.04 -0.31 0.00 -2.02 0.00 0.00 63.50 61.29 1d8l n PRO 39 Cb 0.49 -1.66 0.11 0.00 -0.02 0.00 0.00 33.50 32.42 1d8l n PRO 39 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1d8l s GLU 40 N -2.88 1.89 0.14 -0.52 -1.05 -1.26 -4.89 118.70 110.14 1d8l s GLU 40 Ca 0.58 1.26 -0.33 0.00 -0.15 0.00 0.00 54.97 56.33 1d8l s GLU 40 Cb -0.28 -1.85 -0.13 0.00 -0.44 0.00 0.00 34.13 31.44 1d8l s GLU 40 CO 0.66 -1.93 1.68 0.00 0.95 0.00 0.00 175.26 176.62 1d8l n ALA 41 N -3.73 1.79 0.00 -0.84 0.00 -1.26 -2.12 120.51 114.35 1d8l n ALA 41 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1d8l n ALA 41 Cb 0.53 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1d8l n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d8l n GLY 42 N 3.75 1.64 3.86 0.00 0.00 -0.23 -5.01 105.19 109.21 1d8l n GLY 42 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1d8l n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d8l s GLN 43 N -0.38 2.80 0.25 1.61 -1.52 -0.90 -4.83 119.66 116.69 1d8l s GLN 43 Ca 0.00 -1.23 -0.29 0.00 -1.95 0.00 0.00 55.36 51.89 1d8l s GLN 43 Cb 0.00 -2.52 -0.09 0.00 -0.22 0.00 0.00 33.01 30.17 1d8l s GLN 43 CO 0.00 0.14 0.95 -2.00 -0.25 0.00 0.00 175.29 174.13 1d8l s GLU 44 N -3.99 4.81 0.01 2.91 2.12 -1.26 -1.78 118.70 121.53 1d8l s GLU 44 Ca 0.40 1.48 0.01 0.00 0.36 0.00 0.00 54.97 57.22 1d8l s GLU 44 Cb -0.06 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 1d8l s GLU 44 CO 0.27 0.47 -0.04 0.00 -0.54 0.00 0.00 175.26 175.42 1d8l s ALA 45 N -1.24 0.26 -0.25 6.30 0.00 0.06 -4.83 121.76 122.06 1d8l s ALA 45 Ca 0.43 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1d8l s ALA 45 Cb -0.25 0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1d8l s ALA 45 CO 0.31 -0.02 -0.01 0.42 0.00 0.00 0.00 175.76 176.46 1d8l s ILE 46 N -0.73 3.37 -0.05 0.00 1.01 -1.26 -2.52 121.20 121.02 1d8l s ILE 46 Ca -0.06 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.90 1d8l s ILE 46 Cb -0.05 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1d8l s ILE 46 CO -0.00 0.23 -0.25 0.68 0.00 0.00 0.00 174.94 175.60 1d8l s VAL 47 N 1.43 2.05 -0.10 2.92 -7.23 -0.64 -4.88 120.40 113.94 1d8l s VAL 47 Ca 0.03 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 1d8l s VAL 47 Cb -0.16 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1d8l s VAL 47 CO -0.02 0.57 0.79 -0.36 -0.31 0.00 0.00 175.10 175.77 1d8l s PHE 48 N -0.23 3.52 0.26 2.82 0.08 -0.01 -1.93 117.98 122.48 1d8l s PHE 48 Ca -0.02 1.30 0.10 0.00 0.12 0.00 0.00 56.93 58.43 1d8l s PHE 48 Cb -0.13 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1d8l s PHE 48 CO 0.03 -0.07 -0.07 0.95 -0.10 0.00 0.00 175.22 175.96 1d8l s THR 49 N 1.42 3.14 -0.15 0.64 -4.23 -0.77 0.32 115.64 116.00 1d8l s THR 49 Ca 0.39 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1d8l s THR 49 Cb -0.18 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.05 1d8l s THR 49 CO 0.17 -0.34 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.57 1d8l s HIS 50 N -2.28 1.57 -0.35 3.99 2.46 0.25 -4.53 115.29 116.40 1d8l s HIS 50 Ca 0.30 -0.93 -0.23 0.00 0.47 0.00 0.00 55.06 54.67 1d8l s HIS 50 Cb -0.06 -1.26 0.01 0.00 -0.13 0.00 0.00 32.58 31.13 1d8l s HIS 50 CO 0.18 -0.57 0.76 0.12 -2.47 0.00 0.00 174.74 172.75 1d8l s PHE 51 N 1.68 3.14 -0.21 3.88 5.36 -1.26 -1.97 117.98 128.60 1d8l s PHE 51 Ca 0.02 0.58 -0.06 0.00 -0.96 0.00 0.00 56.93 56.52 1d8l s PHE 51 Cb -0.14 -3.30 -0.03 0.00 -0.34 0.00 0.00 43.02 39.21 1d8l s PHE 51 CO -0.08 -0.67 0.02 0.14 -1.46 0.00 0.00 175.22 173.18 1d8l s VAL 52 N 2.99 4.11 -0.15 3.12 -7.23 -0.22 -4.84 120.40 118.19 1d8l s VAL 52 Ca 0.30 -0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1d8l s VAL 52 Cb -0.14 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 1d8l s VAL 52 CO 0.15 0.41 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.58 1d8l s VAL 53 N 1.10 3.41 0.25 1.32 1.01 -1.26 -0.76 120.40 125.46 1d8l s VAL 53 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1d8l s VAL 53 Cb -0.14 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1d8l s VAL 53 CO 0.02 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.74 1d8l s ARG 54 N 0.43 1.39 0.27 2.72 1.70 -0.14 -5.01 118.95 120.30 1d8l s ARG 54 Ca -0.07 -1.75 -0.01 0.00 -0.47 0.00 0.00 55.73 53.42 1d8l s ARG 54 Cb -0.15 -0.11 0.46 0.00 -0.57 0.00 0.00 34.95 34.57 1d8l s ARG 54 CO 0.04 -0.34 1.85 1.49 -1.08 0.00 0.00 175.30 177.26 1d8l h GLU 55 N 2.42 1.01 -0.10 3.89 4.81 -2.06 -2.92 114.58 121.63 1d8l h GLU 55 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1d8l h GLU 55 Cb 1.25 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1d8l h GLU 55 CO 0.58 0.67 0.00 -0.40 -0.73 0.00 0.00 179.01 179.13 1d8l n ASP 56 N -4.59 2.59 -3.74 1.04 5.75 -1.26 -5.02 116.55 111.32 1d8l n ASP 56 Ca 0.16 -1.76 -0.13 0.00 -0.01 0.00 0.00 54.79 53.05 1d8l n ASP 56 Cb 0.26 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.22 1d8l n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d8l s ALA 57 N -1.37 -0.84 -0.22 2.12 0.00 -1.10 -5.12 121.76 115.22 1d8l s ALA 57 Ca 0.23 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1d8l s ALA 57 Cb 0.15 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.49 1d8l s ALA 57 CO 0.22 -0.32 0.03 -0.65 0.00 0.00 0.00 175.76 175.04 1d8l s GLN 58 N -1.70 0.83 0.21 0.00 -0.21 -1.26 -0.97 119.66 116.55 1d8l s GLN 58 Ca -0.11 -0.64 0.10 0.00 0.02 0.00 0.00 55.36 54.73 1d8l s GLN 58 Cb -0.04 -2.16 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1d8l s GLN 58 CO 0.02 -0.70 -0.19 -0.51 -2.12 0.00 0.00 175.29 171.79 1d8l s LEU 59 N 1.74 2.50 -0.09 2.90 1.43 0.06 -5.01 118.68 122.21 1d8l s LEU 59 Ca 0.00 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1d8l s LEU 59 Cb -0.17 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1d8l s LEU 59 CO -0.11 -0.02 -0.12 -0.22 0.23 0.00 0.00 176.35 176.11 1d8l s LEU 60 N -3.01 1.58 -0.18 1.79 2.96 -1.26 -1.05 118.68 119.50 1d8l s LEU 60 Ca 0.21 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1d8l s LEU 60 Cb -0.05 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1d8l s LEU 60 CO 0.09 -0.01 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.75 1d8l s TYR 61 N 1.00 2.96 -0.01 5.38 2.02 -0.83 -0.80 117.35 127.06 1d8l s TYR 61 Ca -0.07 -0.60 0.08 0.00 -0.37 0.00 0.00 57.07 56.10 1d8l s TYR 61 Cb -0.15 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1d8l s TYR 61 CO -0.01 -0.27 -0.26 0.20 -1.57 0.00 0.00 175.55 173.64 1d8l s GLY 62 N 0.82 1.27 0.17 0.71 0.00 0.20 -0.58 107.32 109.91 1d8l s GLY 62 Ca -0.02 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.65 1d8l s GLY 62 CO 0.02 -0.95 -0.14 -1.36 0.00 0.00 0.00 173.10 170.66 1d8l s PHE 63 N -0.63 1.59 0.09 1.90 0.08 0.15 -4.32 117.98 116.84 1d8l s PHE 63 Ca 0.10 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 1d8l s PHE 63 Cb -0.10 -0.78 -0.24 0.00 -0.57 0.00 0.00 43.02 41.33 1d8l s PHE 63 CO -0.01 0.26 1.19 -0.91 -0.10 0.00 0.00 175.22 175.66 1d8l h ASN 64 N 2.96 0.35 -4.32 1.36 -0.26 -1.90 0.02 115.58 113.79 1d8l h ASN 64 Ca -0.39 -0.36 -0.30 0.00 -0.56 0.00 0.00 56.30 54.69 1d8l h ASN 64 Cb 1.21 -0.11 -0.15 0.00 -1.06 0.00 0.00 38.32 38.21 1d8l h ASN 64 CO 0.57 1.26 -0.68 0.54 -1.06 0.00 0.00 177.43 178.07 1d8l s ASN 65 N -7.06 1.41 0.34 5.81 2.20 -1.26 -4.65 114.94 111.73 1d8l s ASN 65 Ca -0.03 -1.12 0.07 0.00 -0.94 0.00 0.00 52.86 50.84 1d8l s ASN 65 Cb 0.08 0.07 0.63 0.00 -2.00 0.00 0.00 41.25 40.03 1d8l s ASN 65 CO 0.87 -0.50 1.83 0.11 -2.94 0.00 0.00 177.10 176.47 1d8l h LYS 66 N 2.72 0.29 -0.33 3.55 1.57 -1.97 -3.00 116.57 119.41 1d8l h LYS 66 Ca -0.37 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1d8l h LYS 66 Cb 1.20 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1d8l h LYS 66 CO 0.63 0.50 -0.03 1.96 -0.57 0.00 0.00 179.45 181.94 1d8l h GLN 67 N 0.26 0.05 -0.01 3.15 7.50 -1.96 -0.78 115.11 123.32 1d8l h GLN 67 Ca 0.05 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.13 1d8l h GLN 67 Cb 0.54 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1d8l h GLN 67 CO 0.04 0.03 -0.27 0.93 -1.50 0.00 0.00 178.83 178.06 1d8l h GLU 68 N 0.05 0.02 -0.26 1.46 5.08 -1.96 -2.08 114.58 116.90 1d8l h GLU 68 Ca 0.16 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1d8l h GLU 68 Cb 0.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1d8l h GLU 68 CO -0.29 0.29 -0.49 -0.09 -1.00 0.00 0.00 179.01 177.42 1d8l h ARG 69 N 0.02 0.78 -0.30 2.33 2.43 -1.20 -2.04 114.38 116.40 1d8l h ARG 69 Ca 0.00 -0.50 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1d8l h ARG 69 Cb 0.49 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1d8l h ARG 69 CO 0.04 1.13 0.15 1.15 -1.51 0.00 0.00 179.97 180.92 1d8l h THR 70 N 0.53 0.98 0.44 0.20 2.02 -0.92 -1.06 112.91 115.10 1d8l h THR 70 Ca 0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1d8l h THR 70 Cb 1.10 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1d8l h THR 70 CO 0.11 0.06 -0.34 0.25 0.37 0.00 0.00 175.52 175.97 1d8l h LEU 71 N 0.31 -0.88 -0.76 2.58 5.85 -1.33 -1.86 115.31 119.22 1d8l h LEU 71 Ca 0.13 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1d8l h LEU 71 Cb 0.05 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 1d8l h LEU 71 CO -0.09 -0.50 0.15 0.15 -0.34 0.00 0.00 178.44 177.81 1d8l h PHE 72 N -0.77 0.22 -0.63 1.25 3.04 -1.13 -0.14 116.94 118.79 1d8l h PHE 72 Ca -0.04 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1d8l h PHE 72 Cb 0.66 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 1d8l h PHE 72 CO -0.15 -0.14 0.32 0.87 -2.02 0.00 0.00 178.31 177.19 1d8l h LYS 73 N 0.22 0.90 -0.34 1.11 1.57 -0.87 -2.58 116.57 116.58 1d8l h LYS 73 Ca 0.43 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1d8l h LYS 73 Cb 0.77 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1d8l h LYS 73 CO -0.56 0.71 -0.16 0.93 -0.57 0.00 0.00 179.45 179.79 1d8l h GLU 74 N 0.86 0.70 -0.43 3.15 4.39 -0.44 -3.20 114.58 119.62 1d8l h GLU 74 Ca 0.22 -0.31 0.09 0.00 0.34 0.00 0.00 59.36 59.70 1d8l h GLU 74 Cb 0.09 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.64 1d8l h GLU 74 CO -0.03 0.91 -0.09 1.25 -1.16 0.00 0.00 179.01 179.88 1d8l h LEU 75 N 0.48 -0.38 0.00 1.33 5.85 -0.95 -1.57 115.31 120.08 1d8l h LEU 75 Ca 0.07 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1d8l h LEU 75 Cb 0.70 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1d8l h LEU 75 CO 0.05 -0.13 0.00 2.30 -0.34 0.00 0.00 178.44 180.32 1d8l n ILE 76 N -5.31 0.00 1.02 4.05 -5.35 -0.99 -2.55 119.36 110.23 1d8l n ILE 76 Ca 0.03 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.64 1d8l n ILE 76 Cb 0.23 -0.54 0.51 0.00 -1.74 0.00 0.00 39.64 38.10 1d8l n ILE 76 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1d8l n LYS 77 N -0.97 0.03 -3.58 6.28 5.02 -0.59 -4.82 118.16 119.53 1d8l n LYS 77 Ca 0.19 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.15 1d8l n LYS 77 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1d8l n LYS 77 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1d8l s THR 78 N -2.97 5.09 0.01 -0.18 -4.23 -1.06 -5.05 115.64 107.24 1d8l s THR 78 Ca 0.14 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 1d8l s THR 78 Cb 0.19 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1d8l s THR 78 CO 0.58 0.10 1.14 0.20 -0.54 0.00 0.00 174.62 176.09 1d8l s ASN 79 N -2.18 7.15 0.00 3.99 -0.87 -1.26 -2.99 114.94 118.78 1d8l s ASN 79 Ca 0.40 1.86 0.00 0.00 -1.57 0.00 0.00 52.86 53.55 1d8l s ASN 79 Cb -0.13 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 1d8l s ASN 79 CO 0.22 -0.44 0.00 0.61 -2.57 0.00 0.00 177.10 174.91 1d8l n GLY 80 N 3.17 2.81 3.25 0.66 0.00 -1.26 -5.02 105.19 108.80 1d8l n GLY 80 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1d8l n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d8l s VAL 81 N -2.65 4.57 0.51 1.61 1.01 -1.16 -4.98 120.40 119.30 1d8l s VAL 81 Ca 0.00 -1.65 0.08 0.00 0.00 0.00 0.00 61.98 60.40 1d8l s VAL 81 Cb 0.00 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1d8l s VAL 81 CO 0.00 -0.79 0.65 0.61 0.00 0.00 0.00 175.10 175.58 1d8l n GLY 82 N 5.03 2.08 0.34 4.51 0.00 -1.26 -4.18 105.19 111.70 1d8l n GLY 82 Ca -0.10 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.67 1d8l n GLY 82 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1d8l h PRO 83 N 0.00 -0.08 -0.92 1.61 0.11 -1.96 -0.83 132.00 129.92 1d8l h PRO 83 Ca -0.25 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.98 1d8l h PRO 83 Cb 1.10 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 1d8l h PRO 83 CO 0.36 -0.06 0.56 -0.22 -0.21 0.00 0.00 178.00 178.43 1d8l h LYS 84 N -0.09 0.87 -0.09 1.05 3.64 -1.99 -0.77 116.57 119.19 1d8l h LYS 84 Ca 0.29 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.40 1d8l h LYS 84 Cb 0.57 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1d8l h LYS 84 CO -0.79 0.57 -0.84 1.25 -2.27 0.00 0.00 179.45 177.38 1d8l h LEU 85 N 0.89 0.78 -1.30 5.20 5.85 -1.58 -2.88 115.31 122.27 1d8l h LEU 85 Ca 0.46 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1d8l h LEU 85 Cb 0.45 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1d8l h LEU 85 CO -0.26 1.33 -0.11 0.00 -0.34 0.00 0.00 178.44 179.06 1d8l h ALA 86 N 0.64 1.43 -0.09 1.25 0.00 -0.73 -1.19 119.26 120.57 1d8l h ALA 86 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1d8l h ALA 86 Cb 1.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1d8l h ALA 86 CO 0.16 0.40 0.00 -0.07 0.00 0.00 0.00 179.25 179.74 1d8l h LEU 87 N 0.32 0.15 -0.64 0.00 3.38 -1.11 -2.41 115.31 115.00 1d8l h LEU 87 Ca 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1d8l h LEU 87 Cb 0.39 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1d8l h LEU 87 CO 0.02 0.41 0.35 0.00 0.09 0.00 0.00 178.44 179.31 1d8l h ALA 88 N 0.75 0.82 -0.34 1.53 0.00 -1.24 0.95 119.26 121.73 1d8l h ALA 88 Ca 0.03 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1d8l h ALA 88 Cb 0.33 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1d8l h ALA 88 CO 0.00 0.34 -0.08 0.82 0.00 0.00 0.00 179.25 180.34 1d8l h ILE 89 N 0.88 0.67 0.00 0.00 2.04 -1.16 0.15 117.51 120.09 1d8l h ILE 89 Ca 0.23 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1d8l h ILE 89 Cb 0.05 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1d8l h ILE 89 CO -0.04 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.30 1d8l n LEU 90 N -5.26 0.42 0.00 1.44 4.77 -0.80 -2.51 117.00 115.06 1d8l n LEU 90 Ca 0.01 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.46 1d8l n LEU 90 Cb 0.19 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 1d8l n LEU 90 CO 0.18 -0.21 -0.36 0.28 -1.33 0.00 0.00 177.39 175.95 1d8l h SER 91 N 0.00 0.03 1.64 -1.43 0.02 0.14 -3.38 113.55 110.58 1d8l h SER 91 Ca 0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1d8l h SER 91 Cb 0.53 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1d8l h SER 91 CO 0.00 1.05 -0.37 1.23 -1.14 0.00 0.00 176.83 177.60 1d8l h GLY 92 N 3.23 0.00 -3.60 -3.77 0.00 -0.45 -3.41 103.07 95.07 1d8l h GLY 92 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1d8l h GLY 92 CO 0.10 0.00 0.04 -3.16 0.00 0.00 0.00 176.54 173.51 1d8l s MET 93 N -3.13 1.04 1.32 4.80 0.00 -1.05 -5.09 119.30 117.19 1d8l s MET 93 Ca 0.05 -0.26 -0.21 0.00 0.00 0.00 0.00 55.69 55.27 1d8l s MET 93 Cb 0.07 0.48 0.33 0.00 0.00 0.00 0.00 34.83 35.70 1d8l s MET 93 CO 0.72 -0.38 1.02 -1.54 0.00 0.00 0.00 175.02 174.84 1d8l s SER 94 N -2.03 -0.12 0.17 -1.18 1.04 -1.26 -4.49 113.70 105.84 1d8l s SER 94 Ca -0.05 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 1d8l s SER 94 Cb -0.01 -1.04 0.04 0.00 0.10 0.00 0.00 66.02 65.11 1d8l s SER 94 CO -0.02 -4.77 1.43 0.00 0.98 0.00 0.00 173.24 170.85 1d8l h ALA 95 N -3.02 0.57 -0.23 5.32 0.00 -1.97 -3.04 119.26 116.89 1d8l h ALA 95 Ca -0.44 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 53.68 1d8l h ALA 95 Cb 1.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1d8l h ALA 95 CO 0.31 0.75 -0.59 0.37 0.00 0.00 0.00 179.25 180.08 1d8l h GLN 96 N 0.31 0.75 0.12 0.00 5.75 -1.92 -2.82 115.11 117.31 1d8l h GLN 96 Ca -0.03 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 1d8l h GLN 96 Cb 1.30 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 1d8l h GLN 96 CO 0.13 1.12 -0.12 1.96 -2.65 0.00 0.00 178.83 179.27 1d8l h GLN 97 N 0.56 -0.26 -0.66 1.69 4.20 -1.91 -0.96 115.11 117.77 1d8l h GLN 97 Ca 0.00 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.82 1d8l h GLN 97 Cb 1.19 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.96 1d8l h GLN 97 CO 0.12 -0.17 0.30 0.35 -0.67 0.00 0.00 178.83 178.76 1d8l h PHE 98 N -0.27 0.54 -0.34 2.96 3.57 -1.55 0.25 116.94 122.11 1d8l h PHE 98 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1d8l h PHE 98 Cb 0.26 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1d8l h PHE 98 CO -0.12 0.19 -0.05 0.28 -2.23 0.00 0.00 178.31 176.37 1d8l h VAL 99 N 0.53 1.27 -0.48 1.41 2.07 -1.32 -0.77 116.25 118.95 1d8l h VAL 99 Ca 0.32 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1d8l h VAL 99 Cb 0.34 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1d8l h VAL 99 CO -0.27 0.35 0.27 0.78 0.02 0.00 0.00 177.57 178.72 1d8l h ASN 100 N 0.43 0.60 -0.63 0.57 2.35 -0.49 -1.03 115.58 117.39 1d8l h ASN 100 Ca 0.09 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1d8l h ASN 100 Cb 0.54 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1d8l h ASN 100 CO 0.03 0.52 0.23 0.00 -1.65 0.00 0.00 177.43 176.56 1d8l h ALA 101 N 1.11 0.82 -0.28 -0.83 0.00 -0.45 -3.15 119.26 116.48 1d8l h ALA 101 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1d8l h ALA 101 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1d8l h ALA 101 CO -0.03 0.45 -0.06 0.28 0.00 0.00 0.00 179.25 179.89 1d8l h VAL 102 N 0.88 1.28 -0.46 0.00 2.07 -0.90 0.09 116.25 119.21 1d8l h VAL 102 Ca 0.21 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.74 1d8l h VAL 102 Cb 0.23 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1d8l h VAL 102 CO -0.01 0.34 0.32 -0.33 0.02 0.00 0.00 177.57 177.90 1d8l h GLU 103 N 0.29 0.26 -0.49 1.57 4.39 -1.15 -1.90 114.58 117.55 1d8l h GLU 103 Ca 0.07 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1d8l h GLU 103 Cb 0.53 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 1d8l h GLU 103 CO 0.03 0.17 0.09 2.89 -1.16 0.00 0.00 179.01 181.03 1d8l n ARG 104 N -4.46 3.33 -3.90 2.33 1.85 -1.20 -4.96 116.66 109.65 1d8l n ARG 104 Ca 0.07 -3.03 -0.28 0.00 -1.00 0.00 0.00 57.85 53.61 1d8l n ARG 104 Cb 0.34 -2.04 0.02 0.00 -1.05 0.00 0.00 32.46 29.74 1d8l n ARG 104 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1d8l n GLU 105 N -0.32 -4.95 -2.87 2.89 4.71 -0.72 -4.89 120.64 114.49 1d8l n GLU 105 Ca 0.31 0.56 -0.43 0.00 -0.01 0.00 0.00 57.16 57.59 1d8l n GLU 105 Cb 1.14 -5.29 -0.02 0.00 -1.01 0.00 0.00 31.44 26.25 1d8l n GLU 105 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1d8l s GLU 106 N -6.49 3.62 0.26 3.49 0.41 0.01 -4.82 118.70 115.18 1d8l s GLU 106 Ca 0.45 -1.71 0.09 0.00 -0.41 0.00 0.00 54.97 53.40 1d8l s GLU 106 Cb -0.23 -4.99 0.32 0.00 -1.78 0.00 0.00 34.13 27.45 1d8l s GLU 106 CO 0.84 -1.84 1.59 -0.24 -0.49 0.00 0.00 175.26 175.13 1d8l h VAL 107 N 5.92 1.45 -0.95 2.63 3.04 -1.90 -3.23 116.25 123.20 1d8l h VAL 107 Ca 0.17 -2.15 0.15 0.00 -1.01 0.00 0.00 66.70 63.87 1d8l h VAL 107 Cb 1.02 2.15 -0.08 0.00 -2.01 0.00 0.00 31.29 32.36 1d8l h VAL 107 CO 1.16 0.62 0.60 1.23 -1.01 0.00 0.00 177.57 180.17 1d8l h GLY 108 N 1.83 1.41 0.73 3.17 0.00 -1.98 -1.93 103.07 106.31 1d8l h GLY 108 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.02 1d8l h GLY 108 CO 0.08 0.08 0.13 0.00 0.00 0.00 0.00 176.54 176.83 1d8l h ALA 109 N 1.59 0.40 0.00 3.60 0.00 -1.97 -3.20 119.26 119.68 1d8l h ALA 109 Ca 0.49 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.33 1d8l h ALA 109 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1d8l h ALA 109 CO -0.25 -0.26 -0.51 -0.07 0.00 0.00 0.00 179.25 178.15 1d8l h LEU 110 N 0.28 0.00 -0.76 0.00 3.38 -1.53 -3.26 115.31 113.42 1d8l h LEU 110 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1d8l h LEU 110 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1d8l h LEU 110 CO -0.15 0.51 0.00 0.58 0.09 0.00 0.00 178.44 179.47 1d8l h VAL 111 N 0.00 0.00 -0.31 1.22 2.07 -1.48 -3.12 116.25 114.63 1d8l h VAL 111 Ca -0.01 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 1d8l h VAL 111 Cb 1.21 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1d8l h VAL 111 CO 0.07 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 177.38 1d8l h LYS 112 N 0.00 0.82 -7.21 1.57 1.57 -1.64 -3.46 116.57 108.22 1d8l h LYS 112 Ca 0.00 -0.46 -0.51 0.00 -1.87 0.00 0.00 60.65 57.81 1d8l h LYS 112 Cb 0.59 0.03 0.20 0.00 0.08 0.00 0.00 32.23 33.14 1d8l h LYS 112 CO 0.00 1.09 0.11 1.28 -0.57 0.00 0.00 179.45 181.37 1d8l n LEU 113 N -4.14 2.51 -4.69 2.94 4.77 -1.18 -4.90 117.00 112.31 1d8l n LEU 113 Ca -0.04 0.35 -0.44 0.00 -0.03 0.00 0.00 56.01 55.86 1d8l n LEU 113 Cb 0.54 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 1d8l n LEU 113 CO 0.47 -2.41 1.12 -0.81 -1.33 0.00 0.00 177.39 174.44 1d8l n PRO 114 N -4.09 2.28 -3.29 3.23 -0.04 -1.26 -3.86 135.00 127.97 1d8l n PRO 114 Ca 0.11 0.81 -0.11 0.00 -0.04 0.00 0.00 63.50 64.26 1d8l n PRO 114 Cb 0.52 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 1d8l n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d8l n GLY 115 N 2.43 -0.10 0.00 0.55 0.00 -1.26 -4.88 105.19 101.93 1d8l n GLY 115 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1d8l n GLY 115 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1d8l n ILE 116 N -2.18 0.00 0.00 -0.61 0.13 -1.25 -5.09 119.36 110.36 1d8l n ILE 116 Ca -0.09 0.23 0.00 0.00 -1.10 0.00 0.00 62.75 61.80 1d8l n ILE 116 Cb 0.21 -0.57 0.00 0.00 -0.84 0.00 0.00 39.64 38.44 1d8l n ILE 116 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1d8l n GLY 117 N 2.06 3.97 0.14 4.50 0.00 -1.26 -4.78 105.19 109.82 1d8l n GLY 117 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 1d8l n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d8l h LYS 118 N 0.00 0.25 0.00 1.61 6.56 -1.97 0.19 116.57 123.21 1d8l h LYS 118 Ca 0.00 -0.02 -0.15 0.00 -1.06 0.00 0.00 60.65 59.43 1d8l h LYS 118 Cb 0.00 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 1d8l h LYS 118 CO 0.00 0.17 -0.70 0.87 -2.06 0.00 0.00 179.45 177.72 1d8l h LYS 119 N 0.26 0.00 -0.20 3.15 1.79 -2.00 -3.14 116.57 116.43 1d8l h LYS 119 Ca 0.13 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 1d8l h LYS 119 Cb 0.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1d8l h LYS 119 CO -0.12 0.70 -0.58 1.79 -1.08 0.00 0.00 179.45 180.16 1d8l h THR 120 N 0.00 1.31 -0.01 -0.16 1.35 -1.74 -2.14 112.91 111.52 1d8l h THR 120 Ca -0.01 -1.82 0.02 0.00 -0.55 0.00 0.00 66.41 64.05 1d8l h THR 120 Cb 1.34 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.52 1d8l h THR 120 CO 0.09 0.57 -0.08 0.00 -0.25 0.00 0.00 175.52 175.86 1d8l h ALA 121 N 0.86 -0.07 -0.86 6.62 0.00 -0.65 0.58 119.26 125.73 1d8l h ALA 121 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1d8l h ALA 121 Cb 1.15 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1d8l h ALA 121 CO 0.11 -0.57 0.56 0.93 0.00 0.00 0.00 179.25 180.29 1d8l h GLU 122 N -0.13 1.08 -0.08 0.00 4.39 -1.52 -0.43 114.58 117.89 1d8l h GLU 122 Ca 0.04 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1d8l h GLU 122 Cb 0.17 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1d8l h GLU 122 CO -0.09 0.72 0.04 0.00 -1.16 0.00 0.00 179.01 178.51 1d8l h ARG 123 N 1.11 0.12 -0.32 2.33 3.08 -0.91 -2.64 114.38 117.15 1d8l h ARG 123 Ca 0.33 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.42 1d8l h ARG 123 Cb -0.05 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1d8l h ARG 123 CO -0.10 0.21 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.92 1d8l h LEU 124 N -0.01 -0.19 -0.96 3.04 3.38 0.81 -2.31 115.31 119.08 1d8l h LEU 124 Ca 0.03 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1d8l h LEU 124 Cb 0.14 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1d8l h LEU 124 CO -0.00 -0.06 0.63 0.40 0.09 0.00 0.00 178.44 179.50 1d8l h ILE 125 N 0.06 1.21 0.21 1.22 2.04 -1.05 -0.76 117.51 120.44 1d8l h ILE 125 Ca 0.15 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1d8l h ILE 125 Cb 0.22 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1d8l h ILE 125 CO -0.28 0.23 -0.10 0.58 0.00 0.00 0.00 178.15 178.58 1d8l h VAL 126 N 1.26 0.87 0.15 1.67 2.07 -1.12 -2.81 116.25 118.35 1d8l h VAL 126 Ca 0.37 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1d8l h VAL 126 Cb -0.08 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1d8l h VAL 126 CO -0.10 0.14 -0.07 -0.33 0.02 0.00 0.00 177.57 177.24 1d8l h GLU 127 N -0.62 -0.19 -0.81 1.57 5.08 -1.32 -2.62 114.58 115.67 1d8l h GLU 127 Ca -0.03 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1d8l h GLU 127 Cb 0.45 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1d8l h GLU 127 CO 0.05 -0.08 0.46 0.52 -1.00 0.00 0.00 179.01 178.96 1d8l h MET 128 N -0.25 0.77 -0.84 2.33 2.86 -1.24 0.31 114.93 118.85 1d8l h MET 128 Ca -0.02 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1d8l h MET 128 Cb 0.20 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1d8l h MET 128 CO 0.03 0.51 0.40 1.57 1.06 0.00 0.00 176.91 180.48 1d8l h LYS 129 N 0.79 1.21 -0.51 1.72 2.10 -1.37 0.19 116.57 120.70 1d8l h LYS 129 Ca 0.38 -0.18 -0.10 0.00 -2.00 0.00 0.00 60.65 58.75 1d8l h LYS 129 Cb 0.32 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 1d8l h LYS 129 CO -0.23 0.93 -0.09 -0.44 -2.00 0.00 0.00 179.45 177.62 1d8l h ASP 130 N 1.20 0.96 0.07 7.07 3.45 -0.85 -3.19 116.42 125.14 1d8l h ASP 130 Ca 0.29 -0.35 -0.13 0.00 0.43 0.00 0.00 57.03 57.28 1d8l h ASP 130 Cb 0.12 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1d8l h ASP 130 CO -0.04 1.08 -0.42 0.03 -1.57 0.00 0.00 179.24 178.32 1d8l h ARG 131 N 0.82 0.44 0.00 3.56 3.08 0.19 -3.27 114.38 119.20 1d8l h ARG 131 Ca 0.13 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1d8l h ARG 131 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1d8l h ARG 131 CO 0.04 0.79 -0.10 0.74 -1.07 0.00 0.00 179.97 180.37 1d8l h PHE 132 N 0.36 0.00 0.00 3.04 -1.00 -0.63 -3.07 116.94 115.64 1d8l h PHE 132 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1d8l h PHE 132 Cb 0.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.46 1d8l h PHE 132 CO 0.03 0.10 0.00 0.36 -1.61 0.00 0.00 178.31 177.19 1d8l n LYS 133 N -4.41 0.14 -2.82 1.51 -0.00 -1.23 -3.72 118.16 107.63 1d8l n LYS 133 Ca -0.03 0.42 -0.33 0.00 -0.00 0.00 0.00 58.31 58.38 1d8l n LYS 133 Cb 0.17 -1.80 -0.02 0.00 -0.00 0.00 0.00 35.03 33.39 1d8l n LYS 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d8l n GLY 134 N -0.24 5.83 0.58 2.58 0.00 -1.16 -5.03 105.19 107.75 1d8l n GLY 134 Ca 0.02 -2.71 -0.01 0.00 0.00 0.00 0.00 46.02 43.32 1d8l n GLY 134 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1d8l n LEU 135 N -0.18 0.00 -3.93 0.99 0.00 -1.24 -5.12 117.00 107.51 1d8l n LEU 135 Ca 0.37 -0.26 -0.09 0.00 0.00 0.00 0.00 56.01 56.03 1d8l n LEU 135 Cb 0.34 0.46 -0.07 0.00 0.00 0.00 0.00 43.42 44.15 1d8l n LEU 135 CO 0.41 -0.09 -0.00 -1.38 0.00 0.00 0.00 177.39 176.33 1d8l s HIS 136 N -6.04 0.34 0.00 1.96 -3.43 -1.26 -5.13 115.29 101.73 1d8l s HIS 136 Ca 0.03 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 1d8l s HIS 136 Cb -0.01 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.13 1d8l s HIS 136 CO 0.01 -0.72 0.00 0.41 -2.00 0.00 0.00 174.74 172.44 1d8l n GLY 137 N -0.22 2.48 0.23 -1.38 0.00 -1.26 -4.91 105.19 100.13 1d8l n GLY 137 Ca -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.89 1d8l n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1d8l h ASP 138 N 0.00 0.44 1.42 1.61 5.19 -2.01 -2.87 116.42 120.20 1d8l h ASP 138 Ca 0.00 -0.17 -0.09 0.00 -0.62 0.00 0.00 57.03 56.15 1d8l h ASP 138 Cb 0.00 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1d8l h ASP 138 CO 0.00 0.74 -0.45 0.17 -3.12 0.00 0.00 179.24 176.58 1d8l h LEU 139 N 0.38 0.00 0.00 1.55 -0.00 -1.98 -3.54 115.31 111.72 1d8l h LEU 139 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1d8l h LEU 139 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1d8l h LEU 139 CO 0.06 0.45 0.00 0.33 -0.00 0.00 0.00 178.44 179.28