#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imj n ALA 3 N 0.00 5.19 -2.68 0.00 0.00 -1.26 -5.04 120.51 116.72 1imj n ALA 3 Ca 0.00 -4.11 -0.42 0.00 0.00 0.00 0.00 53.44 48.91 1imj n ALA 3 Cb 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1imj n ALA 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1imj s SER 4 N -3.34 7.15 -0.11 0.00 0.15 -1.25 -3.67 113.70 112.62 1imj s SER 4 Ca 0.50 1.42 -0.13 0.00 0.70 0.00 0.00 55.95 58.44 1imj s SER 4 Cb 0.41 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 1imj s SER 4 CO -0.12 -0.50 0.30 -0.69 1.20 0.00 0.00 173.24 173.43 1imj s VAL 5 N 2.36 5.27 -0.04 4.45 1.01 -0.47 -4.93 120.40 128.04 1imj s VAL 5 Ca 0.45 0.58 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1imj s VAL 5 Cb -0.17 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1imj s VAL 5 CO 0.14 0.48 -0.05 -1.83 0.00 0.00 0.00 175.10 173.83 1imj s GLU 6 N -0.19 0.81 0.07 2.72 -1.05 -1.26 -0.61 118.70 119.19 1imj s GLU 6 Ca 0.18 -0.14 0.04 0.00 -0.15 0.00 0.00 54.97 54.91 1imj s GLU 6 Cb -0.14 -0.80 -0.03 0.00 -0.44 0.00 0.00 34.13 32.72 1imj s GLU 6 CO 0.07 -0.04 -0.13 1.14 0.95 0.00 0.00 175.26 177.25 1imj s GLN 7 N 0.72 0.78 -0.39 -4.83 -2.07 0.64 -4.98 119.66 109.54 1imj s GLN 7 Ca -0.10 -0.95 0.11 0.00 -1.82 0.00 0.00 55.36 52.61 1imj s GLN 7 Cb -0.13 -0.71 0.43 0.00 -1.09 0.00 0.00 33.01 31.52 1imj s GLN 7 CO 0.00 0.15 1.01 2.89 -1.32 0.00 0.00 175.29 178.02 1imj n ARG 8 N 1.22 2.23 0.00 9.60 1.85 -1.26 0.32 116.66 130.61 1imj n ARG 8 Ca -0.21 -3.88 0.00 0.00 -1.00 0.00 0.00 57.85 52.76 1imj n ARG 8 Cb 0.55 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 1imj n ARG 8 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1imj n GLU 9 N -0.24 0.00 -0.07 2.89 1.02 -1.26 -4.67 120.64 118.32 1imj n GLU 9 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1imj n GLU 9 Cb 0.72 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1imj n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1imj n GLY 10 N -0.71 0.00 3.35 0.62 0.00 -0.57 -4.67 105.19 103.21 1imj n GLY 10 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1imj n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1imj s THR 11 N -0.08 -0.97 0.02 2.61 2.01 -1.17 -3.30 115.64 114.76 1imj s THR 11 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1imj s THR 11 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1imj s THR 11 CO 0.00 0.00 -0.04 0.27 -0.69 0.00 0.00 174.62 174.16 1imj s ILE 12 N 2.87 0.18 -0.21 1.82 -4.36 -0.93 -4.95 121.20 115.63 1imj s ILE 12 Ca 0.10 -0.91 -0.19 0.00 -0.26 0.00 0.00 60.65 59.39 1imj s ILE 12 Cb -0.14 -0.31 -0.03 0.00 1.25 0.00 0.00 42.46 43.24 1imj s ILE 12 CO -0.20 -0.46 0.53 -1.10 0.24 0.00 0.00 174.94 173.95 1imj s GLN 13 N -1.43 4.18 -0.13 0.37 -1.52 -1.26 -1.55 119.66 118.32 1imj s GLN 13 Ca -0.14 0.43 -0.00 0.00 -1.95 0.00 0.00 55.36 53.69 1imj s GLN 13 Cb -0.10 -3.57 0.03 0.00 -0.22 0.00 0.00 33.01 29.15 1imj s GLN 13 CO -0.01 -0.18 -0.08 0.08 -0.25 0.00 0.00 175.29 174.85 1imj s VAL 14 N 1.74 1.15 -1.48 1.09 1.01 0.90 -4.81 120.40 119.99 1imj s VAL 14 Ca 0.24 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1imj s VAL 14 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1imj s VAL 14 CO 0.10 0.32 0.18 0.00 0.00 0.00 0.00 175.10 175.70 1imj n GLN 15 N 4.89 -1.85 -1.01 2.72 6.02 -1.26 -1.05 117.38 125.85 1imj n GLN 15 Ca -0.13 0.22 -0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1imj n GLN 15 Cb 0.49 -3.93 -0.00 0.00 1.02 0.00 0.00 30.24 27.82 1imj n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1imj n GLY 16 N -2.34 0.44 3.13 1.08 0.00 -1.26 -5.03 105.19 101.22 1imj n GLY 16 Ca -0.32 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1imj n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1imj s GLN 17 N -0.40 0.72 -0.11 1.61 -0.21 -0.21 -5.12 119.66 115.93 1imj s GLN 17 Ca 0.00 -1.00 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 1imj s GLN 17 Cb 0.00 -0.42 -0.05 0.00 1.00 0.00 0.00 33.01 33.54 1imj s GLN 17 CO 0.00 0.07 0.42 0.00 -2.12 0.00 0.00 175.29 173.66 1imj s ALA 18 N -2.07 3.54 0.04 6.09 0.00 -1.26 -0.07 121.76 128.03 1imj s ALA 18 Ca -0.01 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.79 1imj s ALA 18 Cb -0.05 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1imj s ALA 18 CO -0.00 0.10 -0.26 -0.51 0.00 0.00 0.00 175.76 175.09 1imj s LEU 19 N 0.32 2.16 0.17 0.00 1.43 -0.60 -4.63 118.68 117.53 1imj s LEU 19 Ca 0.23 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1imj s LEU 19 Cb -0.15 -1.25 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 1imj s LEU 19 CO 0.09 0.25 0.60 0.12 0.23 0.00 0.00 176.35 177.64 1imj s PHE 20 N -0.79 3.61 -0.01 0.29 5.36 -1.22 -2.18 117.98 123.05 1imj s PHE 20 Ca 0.11 1.14 -0.11 0.00 -0.96 0.00 0.00 56.93 57.12 1imj s PHE 20 Cb -0.10 -2.43 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 1imj s PHE 20 CO 0.02 0.40 0.21 -0.59 -1.46 0.00 0.00 175.22 173.80 1imj s PHE 21 N -1.49 -0.06 0.05 10.12 -0.12 -1.21 -1.15 117.98 124.11 1imj s PHE 21 Ca 0.39 0.06 0.08 0.00 -0.05 0.00 0.00 56.93 57.42 1imj s PHE 21 Cb -0.15 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1imj s PHE 21 CO 0.20 -0.33 -0.23 1.03 -0.05 0.00 0.00 175.22 175.84 1imj s ARG 22 N -1.32 1.89 -0.03 1.99 0.52 0.10 -1.51 118.95 120.60 1imj s ARG 22 Ca -0.14 -1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 53.94 1imj s ARG 22 Cb -0.06 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.35 1imj s ARG 22 CO 0.03 0.52 0.14 -2.00 0.02 0.00 0.00 175.30 174.01 1imj s GLU 23 N -1.37 0.30 -0.02 3.54 2.12 0.15 -1.25 118.70 122.17 1imj s GLU 23 Ca 0.13 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1imj s GLU 23 Cb -0.10 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.44 1imj s GLU 23 CO 0.04 -0.06 0.00 0.00 -0.54 0.00 0.00 175.26 174.70 1imj s ALA 24 N -0.54 0.18 0.05 6.30 0.00 0.05 -0.26 121.76 127.54 1imj s ALA 24 Ca -0.06 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 1imj s ALA 24 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1imj s ALA 24 CO 0.01 -0.04 0.10 -0.48 0.00 0.00 0.00 175.76 175.34 1imj s LEU 25 N 0.64 1.81 0.19 0.00 0.05 0.22 0.05 118.68 121.65 1imj s LEU 25 Ca -0.06 -0.59 0.11 0.00 0.05 0.00 0.00 54.13 53.64 1imj s LEU 25 Cb -0.09 0.63 0.69 0.00 -2.05 0.00 0.00 46.19 45.38 1imj s LEU 25 CO -0.01 -0.55 0.82 -2.65 -0.55 0.00 0.00 176.35 173.40 1imj n PRO 26 N 0.59 -0.03 0.00 1.48 -0.02 -1.26 -1.37 135.00 134.39 1imj n PRO 26 Ca -0.18 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1imj n PRO 26 Cb 0.59 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1imj n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1imj n GLY 27 N -1.14 3.10 0.19 -1.23 0.00 -1.24 -3.92 105.19 100.96 1imj n GLY 27 Ca 0.20 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 45.28 1imj n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1imj h SER 28 N 0.66 0.00 0.00 1.61 4.64 -1.88 -3.46 113.55 115.12 1imj h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1imj h SER 28 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1imj h SER 28 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1imj n GLY 29 N -0.47 0.66 3.58 -0.77 0.00 -1.26 -5.09 105.19 101.84 1imj n GLY 29 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1imj n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1imj s GLN 30 N -0.63 2.80 -0.08 1.61 -1.52 -1.26 -5.01 119.66 115.57 1imj s GLN 30 Ca 0.00 -0.55 -0.12 0.00 -1.95 0.00 0.00 55.36 52.75 1imj s GLN 30 Cb 0.00 -2.61 0.03 0.00 -0.22 0.00 0.00 33.01 30.21 1imj s GLN 30 CO 0.00 0.64 0.30 0.00 -0.25 0.00 0.00 175.29 175.98 1imj s ALA 31 N -0.75 -0.75 0.18 6.09 0.00 -1.26 -4.54 121.76 120.73 1imj s ALA 31 Ca 0.11 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1imj s ALA 31 Cb -0.11 -0.32 0.13 0.00 0.00 0.00 0.00 23.12 22.82 1imj s ALA 31 CO 0.02 -0.18 1.64 0.00 0.00 0.00 0.00 175.76 177.23 1imj h ARG 32 N 5.09 -0.07 -2.60 0.00 3.08 -1.48 -3.46 114.38 114.93 1imj h ARG 32 Ca -0.27 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.91 1imj h ARG 32 Cb 1.19 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1imj h ARG 32 CO 0.34 -0.05 0.51 -0.59 -1.07 0.00 0.00 179.97 179.11 1imj s PHE 33 N -6.17 0.05 0.15 3.04 -0.12 -1.26 -5.08 117.98 108.59 1imj s PHE 33 Ca -0.14 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 1imj s PHE 33 Cb 0.16 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 43.23 1imj s PHE 33 CO 0.71 -1.04 0.31 -1.12 -0.05 0.00 0.00 175.22 174.03 1imj s SER 34 N -3.28 6.37 -0.12 1.98 0.01 -1.26 -2.24 113.70 115.15 1imj s SER 34 Ca 0.19 0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.74 1imj s SER 34 Cb -0.03 -1.96 0.02 0.00 0.21 0.00 0.00 66.02 64.26 1imj s SER 34 CO 0.06 0.04 -0.10 -0.69 0.41 0.00 0.00 173.24 172.96 1imj s VAL 35 N -1.74 1.20 -0.25 3.43 1.01 0.23 -1.97 120.40 122.31 1imj s VAL 35 Ca 0.36 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 1imj s VAL 35 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1imj s VAL 35 CO 0.28 0.40 0.14 -0.22 0.00 0.00 0.00 175.10 175.70 1imj s LEU 36 N 1.57 3.92 -0.19 3.92 2.96 0.50 -1.18 118.68 130.18 1imj s LEU 36 Ca 0.04 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1imj s LEU 36 Cb -0.13 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1imj s LEU 36 CO -0.08 0.02 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.20 1imj s LEU 37 N 1.33 3.28 0.00 -0.68 1.02 0.36 -0.99 118.68 123.00 1imj s LEU 37 Ca 0.07 -0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.12 1imj s LEU 37 Cb -0.15 -1.82 0.07 0.00 0.02 0.00 0.00 46.19 44.31 1imj s LEU 37 CO 0.06 0.10 0.59 0.18 0.02 0.00 0.00 176.35 177.30 1imj n LEU 38 N 4.03 0.00 -4.16 1.79 4.77 -0.38 -3.01 117.00 120.04 1imj n LEU 38 Ca -0.17 -2.16 -0.12 0.00 -0.03 0.00 0.00 56.01 53.52 1imj n LEU 38 Cb 0.52 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1imj n LEU 38 CO 0.32 -0.64 -0.11 -1.38 -1.33 0.00 0.00 177.39 174.25 1imj s HIS 39 N -2.07 1.04 0.71 -1.77 -3.43 -1.26 -4.57 115.29 103.95 1imj s HIS 39 Ca 0.45 -1.26 -0.08 0.00 -0.80 0.00 0.00 55.06 53.37 1imj s HIS 39 Cb -0.04 -0.38 0.06 0.00 -1.43 0.00 0.00 32.58 30.80 1imj s HIS 39 CO 0.28 -0.78 1.04 0.20 -2.00 0.00 0.00 174.74 173.48 1imj s GLY 40 N -3.16 1.66 0.48 -1.38 0.00 -1.26 -3.16 107.32 100.51 1imj s GLY 40 Ca 0.35 -0.84 0.22 0.00 0.00 0.00 0.00 44.72 44.45 1imj s GLY 40 CO 0.14 -0.43 1.99 1.19 0.00 0.00 0.00 173.10 175.98 1imj h ILE 41 N -0.64 0.78 -0.04 0.90 2.10 -1.95 -2.24 117.51 116.41 1imj h ILE 41 Ca -0.45 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 64.76 1imj h ILE 41 Cb 1.31 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1imj h ILE 41 CO 0.61 0.18 0.00 0.54 -1.08 0.00 0.00 178.15 178.40 1imj n ARG 42 N -3.80 1.67 -0.86 2.19 1.74 -1.26 -4.95 116.66 111.39 1imj n ARG 42 Ca -0.02 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1imj n ARG 42 Cb 0.29 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1imj n ARG 42 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1imj n PHE 43 N 0.19 0.00 -3.56 -1.55 3.01 -0.84 -5.12 117.46 109.59 1imj n PHE 43 Ca 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.64 1imj n PHE 43 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1imj n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1imj n SER 44 N -0.80 -0.28 0.17 4.37 3.41 -1.26 -4.69 113.62 114.53 1imj n SER 44 Ca 0.00 -1.14 0.06 0.00 -0.26 0.00 0.00 58.87 57.53 1imj n SER 44 Cb 0.00 0.45 0.55 0.00 -0.26 0.00 0.00 64.21 64.95 1imj n SER 44 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1imj h SER 45 N 0.33 0.16 -0.15 4.04 4.64 -1.89 -1.59 113.55 119.10 1imj h SER 45 Ca -0.04 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1imj h SER 45 Cb 0.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1imj h SER 45 CO 0.06 0.14 0.09 -0.08 -0.87 0.00 0.00 176.83 176.17 1imj h GLU 46 N 0.19 0.22 -0.58 4.77 4.81 -1.94 -1.74 114.58 120.30 1imj h GLU 46 Ca 0.05 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1imj h GLU 46 Cb 0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1imj h GLU 46 CO -0.01 0.16 0.03 1.15 -0.73 0.00 0.00 179.01 179.61 1imj h THR 47 N 0.22 1.26 -0.43 0.32 2.02 -1.68 -1.55 112.91 113.09 1imj h THR 47 Ca 0.06 -1.09 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 1imj h THR 47 Cb 0.00 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1imj h THR 47 CO -0.01 0.39 -0.19 -0.50 0.37 0.00 0.00 175.52 175.58 1imj h TRP 48 N 0.89 0.94 0.25 3.16 4.06 -1.39 -1.47 115.95 122.40 1imj h TRP 48 Ca 0.17 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1imj h TRP 48 Cb 0.51 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1imj h TRP 48 CO 0.04 0.95 -0.12 0.37 -3.56 0.00 0.00 178.44 176.12 1imj h GLN 49 N 0.73 -0.32 0.00 0.49 4.15 -1.18 -2.19 115.11 116.79 1imj h GLN 49 Ca 0.10 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1imj h GLN 49 Cb 0.72 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 1imj h GLN 49 CO 0.06 -0.14 -0.11 -0.91 -1.93 0.00 0.00 178.83 175.79 1imj h ASN 50 N -0.43 0.00 1.73 -0.69 2.35 -1.25 -1.71 115.58 115.59 1imj h ASN 50 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1imj h ASN 50 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1imj h ASN 50 CO 0.06 0.11 -0.06 0.25 -1.65 0.00 0.00 177.43 176.14 1imj h LEU 51 N 0.00 0.00 0.00 1.61 5.85 -1.04 -3.47 115.31 118.26 1imj h LEU 51 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1imj h LEU 51 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1imj h LEU 51 CO 0.01 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.73 1imj n GLY 52 N 1.19 0.68 0.05 3.75 0.00 -0.64 -4.99 105.19 105.23 1imj n GLY 52 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1imj n GLY 52 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1imj h THR 53 N 0.00 1.00 -0.27 2.61 2.02 -1.64 0.44 112.91 117.07 1imj h THR 53 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1imj h THR 53 Cb 0.00 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1imj h THR 53 CO 0.00 0.00 0.03 -0.07 0.37 0.00 0.00 175.52 175.86 1imj h LEU 54 N 0.02 -0.04 -0.35 2.58 3.38 -1.87 -0.32 115.31 118.72 1imj h LEU 54 Ca 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1imj h LEU 54 Cb -0.00 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1imj h LEU 54 CO -0.00 0.02 0.22 -0.74 0.09 0.00 0.00 178.44 178.02 1imj h HIS 55 N 0.13 0.46 -0.21 1.13 2.76 -1.85 -0.99 115.15 116.58 1imj h HIS 55 Ca 0.13 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1imj h HIS 55 Cb 0.15 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1imj h HIS 55 CO -0.18 0.32 0.04 0.00 -1.30 0.00 0.00 177.93 176.81 1imj h ARG 56 N 0.46 0.11 -0.77 5.26 2.47 -0.50 -1.76 114.38 119.66 1imj h ARG 56 Ca 0.13 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1imj h ARG 56 Cb -0.01 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 1imj h ARG 56 CO -0.02 0.08 0.30 -0.07 0.56 0.00 0.00 179.97 180.81 1imj h LEU 57 N 0.12 1.07 0.14 3.04 3.38 -0.90 -2.69 115.31 119.46 1imj h LEU 57 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1imj h LEU 57 Cb 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1imj h LEU 57 CO -0.13 0.96 -0.06 0.00 0.09 0.00 0.00 178.44 179.30 1imj h ALA 58 N 1.19 -0.18 0.00 1.53 0.00 -0.82 -1.92 119.26 119.05 1imj h ALA 58 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1imj h ALA 58 Cb 0.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1imj h ALA 58 CO -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1imj n GLN 59 N -5.14 0.09 -0.05 0.00 10.64 -0.69 -0.92 117.38 121.30 1imj n GLN 59 Ca -0.08 0.44 0.12 0.00 -1.83 0.00 0.00 57.00 55.64 1imj n GLN 59 Cb 0.12 -1.71 0.43 0.00 -0.86 0.00 0.00 30.24 28.22 1imj n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1imj n ALA 60 N -1.64 2.54 -0.07 2.61 0.00 -0.89 -4.91 120.51 118.14 1imj n ALA 60 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1imj n ALA 60 Cb 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1imj n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1imj n GLY 61 N 1.15 0.96 3.58 0.00 0.00 -0.10 -5.00 105.19 105.78 1imj n GLY 61 Ca 0.17 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1imj n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1imj s TYR 62 N -2.00 2.66 -0.25 1.61 1.51 -0.78 -1.07 117.35 119.03 1imj s TYR 62 Ca 0.00 -0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 55.67 1imj s TYR 62 Cb 0.00 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1imj s TYR 62 CO 0.00 0.50 0.54 0.50 -1.11 0.00 0.00 175.55 175.98 1imj s ARG 63 N -2.79 4.09 -0.19 -0.62 3.52 -0.95 -3.70 118.95 118.31 1imj s ARG 63 Ca 0.25 0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1imj s ARG 63 Cb -0.09 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1imj s ARG 63 CO 0.15 -0.35 -0.04 0.00 -0.81 0.00 0.00 175.30 174.26 1imj s ALA 64 N 2.30 2.90 -0.11 6.12 0.00 0.11 -0.60 121.76 132.48 1imj s ALA 64 Ca 0.22 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1imj s ALA 64 Cb -0.16 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1imj s ALA 64 CO 0.09 -0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.72 1imj s VAL 65 N 0.97 1.03 -0.12 0.00 1.01 -0.32 -0.77 120.40 122.20 1imj s VAL 65 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1imj s VAL 65 Cb -0.15 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1imj s VAL 65 CO 0.01 0.36 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 1imj s ALA 66 N 1.60 2.51 0.36 5.51 0.00 -0.38 -0.48 121.76 130.88 1imj s ALA 66 Ca 0.03 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1imj s ALA 66 Cb -0.13 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1imj s ALA 66 CO -0.07 0.29 0.04 0.96 0.00 0.00 0.00 175.76 176.97 1imj s ILE 67 N 0.25 2.49 -0.24 0.00 -4.36 -1.16 0.02 121.20 118.19 1imj s ILE 67 Ca -0.11 -1.94 -0.07 0.00 -0.26 0.00 0.00 60.65 58.27 1imj s ILE 67 Cb -0.16 -2.85 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 1imj s ILE 67 CO 0.06 -0.14 0.07 -1.81 0.24 0.00 0.00 174.94 173.36 1imj s ASP 68 N -3.74 5.22 0.63 4.36 1.01 -0.30 -4.02 116.67 119.83 1imj s ASP 68 Ca 0.36 -0.16 -0.17 0.00 0.71 0.00 0.00 52.55 53.30 1imj s ASP 68 Cb 0.02 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 1imj s ASP 68 CO 0.20 0.00 1.15 -0.76 0.21 0.00 0.00 175.17 175.97 1imj s LEU 69 N 1.40 3.51 -0.06 1.23 2.01 -1.26 -4.39 118.68 121.11 1imj s LEU 69 Ca 0.05 2.17 -0.40 0.00 0.01 0.00 0.00 54.13 55.96 1imj s LEU 69 Cb -0.15 -4.57 -0.19 0.00 0.01 0.00 0.00 46.19 41.29 1imj s LEU 69 CO 0.04 -1.64 1.23 -2.65 1.01 0.00 0.00 176.35 174.33 1imj n PRO 70 N -2.07 0.29 -0.99 1.29 -0.02 -1.26 -1.33 135.00 130.91 1imj n PRO 70 Ca 0.12 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1imj n PRO 70 Cb 0.51 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1imj n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1imj n GLY 71 N 2.17 0.92 3.30 -1.23 0.00 -0.37 -4.59 105.19 105.39 1imj n GLY 71 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1imj n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1imj s LEU 72 N 0.00 2.54 0.00 0.99 1.43 -0.44 -4.52 118.68 118.68 1imj s LEU 72 Ca 0.00 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1imj s LEU 72 Cb 0.00 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1imj s LEU 72 CO 0.00 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1imj n GLY 73 N -0.24 2.70 0.78 -3.19 0.00 -1.26 -1.11 105.19 102.86 1imj n GLY 73 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.64 1imj n GLY 73 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1imj n HIS 74 N 14.00 0.53 -0.98 1.61 8.25 -1.26 -3.05 115.22 134.31 1imj n HIS 74 Ca 0.00 -0.19 0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1imj n HIS 74 Cb 0.00 -0.17 0.21 0.00 1.12 0.00 0.00 29.99 31.16 1imj n HIS 74 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1imj n SER 75 N 0.17 3.33 -0.33 0.41 7.64 -0.27 -4.40 113.62 120.16 1imj n SER 75 Ca 0.08 -3.00 0.21 0.00 1.01 0.00 0.00 58.87 57.17 1imj n SER 75 Cb 0.44 -0.49 0.47 0.00 -1.01 0.00 0.00 64.21 63.62 1imj n SER 75 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1imj h LYS 76 N 1.19 0.44 -0.00 1.43 1.57 -1.51 -0.55 116.57 119.13 1imj h LYS 76 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1imj h LYS 76 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1imj h LYS 76 CO 0.14 0.29 -0.06 -0.85 -0.57 0.00 0.00 179.45 178.40 1imj n GLU 77 N -4.71 0.19 -2.68 3.15 0.28 -1.26 -4.15 120.64 111.46 1imj n GLU 77 Ca 0.26 -0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.89 1imj n GLU 77 Cb 0.85 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 32.16 1imj n GLU 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1imj s ALA 78 N -2.83 3.04 -0.15 -1.84 0.00 -0.36 -4.93 121.76 114.69 1imj s ALA 78 Ca 0.19 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1imj s ALA 78 Cb 0.19 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1imj s ALA 78 CO 0.52 -0.06 0.18 0.00 0.00 0.00 0.00 175.76 176.41 1imj s ALA 79 N -1.91 3.74 0.39 0.00 0.00 -1.26 -2.06 121.76 120.66 1imj s ALA 79 Ca 0.60 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.70 1imj s ALA 79 Cb -0.16 -2.15 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 1imj s ALA 79 CO 0.20 0.34 1.29 0.00 0.00 0.00 0.00 175.76 177.59 1imj s ALA 80 N -0.23 3.28 0.06 0.00 0.00 -1.26 -4.88 121.76 118.73 1imj s ALA 80 Ca 0.13 1.21 0.31 0.00 0.00 0.00 0.00 51.96 53.61 1imj s ALA 80 Cb -0.12 -3.47 1.20 0.00 0.00 0.00 0.00 23.12 20.73 1imj s ALA 80 CO 0.02 -0.76 1.93 -1.35 0.00 0.00 0.00 175.76 175.60 1imj h PRO 81 N 2.79 0.00 -3.30 0.00 0.11 -1.97 -3.45 132.00 126.17 1imj h PRO 81 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1imj h PRO 81 Cb 1.24 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 1imj h PRO 81 CO 0.63 0.04 -0.21 0.00 -0.21 0.00 0.00 178.00 178.24 1imj s ALA 82 N -3.63 -0.73 0.54 -0.75 0.00 -1.26 -4.89 121.76 111.05 1imj s ALA 82 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.84 1imj s ALA 82 Cb 0.09 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 1imj s ALA 82 CO 0.57 -0.45 0.97 -2.14 0.00 0.00 0.00 175.76 174.71 1imj s PRO 83 N -2.77 3.80 0.12 0.00 0.02 -1.26 -4.97 135.00 129.93 1imj s PRO 83 Ca -0.03 0.81 -0.31 0.00 0.02 0.00 0.00 61.00 61.49 1imj s PRO 83 Cb -0.00 -2.15 -0.10 0.00 0.02 0.00 0.00 34.50 32.27 1imj s PRO 83 CO -0.05 -0.35 1.72 0.42 -0.33 0.00 0.00 177.00 178.41 1imj s ILE 84 N -2.80 2.66 0.00 2.83 -1.09 -1.26 -1.95 121.20 119.59 1imj s ILE 84 Ca 0.56 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1imj s ILE 84 Cb -0.10 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1imj s ILE 84 CO 0.40 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 1imj n GLY 85 N 4.05 1.56 3.22 6.18 0.00 -1.26 -5.11 105.19 113.84 1imj n GLY 85 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1imj n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1imj s GLU 86 N 0.00 1.12 0.36 1.61 -1.05 -0.82 -5.09 118.70 114.83 1imj s GLU 86 Ca 0.00 -1.56 -0.26 0.00 -0.15 0.00 0.00 54.97 53.01 1imj s GLU 86 Cb 0.00 -0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.53 1imj s GLU 86 CO 0.00 -0.22 1.06 -0.51 0.95 0.00 0.00 175.26 176.54 1imj s LEU 87 N -3.16 4.26 0.54 1.83 1.43 -1.26 -4.74 118.68 117.58 1imj s LEU 87 Ca 0.28 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.44 1imj s LEU 87 Cb 0.07 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.27 1imj s LEU 87 CO 0.06 -0.38 0.82 0.00 0.23 0.00 0.00 176.35 177.07 1imj s ALA 88 N -1.52 3.49 0.30 4.21 0.00 -0.23 -4.84 121.76 123.18 1imj s ALA 88 Ca 0.54 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1imj s ALA 88 Cb -0.25 -2.41 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 1imj s ALA 88 CO 0.31 -0.68 1.42 -2.14 0.00 0.00 0.00 175.76 174.67 1imj s PRO 89 N -4.84 4.26 0.40 0.00 0.02 -1.26 -4.76 135.00 128.81 1imj s PRO 89 Ca 0.52 2.35 0.28 0.00 0.02 0.00 0.00 61.00 64.17 1imj s PRO 89 Cb -0.10 -3.06 1.28 0.00 0.02 0.00 0.00 34.50 32.64 1imj s PRO 89 CO 0.42 -0.38 1.85 0.78 -0.33 0.00 0.00 177.00 179.34 1imj h GLY 90 N 4.09 0.00 1.98 0.52 0.00 -1.88 -2.05 103.07 105.73 1imj h GLY 90 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1imj h GLY 90 CO 0.71 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.11 1imj n SER 91 N -2.57 0.00 0.13 0.19 3.41 -1.26 -3.83 113.62 109.69 1imj n SER 91 Ca 0.01 0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 58.96 1imj n SER 91 Cb 0.20 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 1imj n SER 91 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1imj h PHE 92 N 0.00 -0.30 0.00 7.33 3.57 -1.75 -2.25 116.94 123.55 1imj h PHE 92 Ca 0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1imj h PHE 92 Cb 0.46 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1imj h PHE 92 CO 0.00 0.02 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.79 1imj h LEU 93 N -0.63 0.00 -0.54 0.59 3.38 -1.77 -1.98 115.31 114.35 1imj h LEU 93 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1imj h LEU 93 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1imj h LEU 93 CO 0.05 0.24 0.14 0.00 0.09 0.00 0.00 178.44 178.96 1imj h ALA 94 N 1.76 0.70 -0.73 1.53 0.00 -1.64 -0.01 119.26 120.88 1imj h ALA 94 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1imj h ALA 94 Cb 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1imj h ALA 94 CO 0.03 0.39 0.33 0.00 0.00 0.00 0.00 179.25 180.00 1imj h ALA 95 N 1.01 0.94 0.16 0.00 0.00 -0.85 -0.87 119.26 119.66 1imj h ALA 95 Ca 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1imj h ALA 95 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1imj h ALA 95 CO -0.00 0.53 -0.18 0.28 0.00 0.00 0.00 179.25 179.88 1imj h VAL 96 N 1.03 0.60 -0.78 0.00 2.07 -0.90 -0.83 116.25 117.44 1imj h VAL 96 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1imj h VAL 96 Cb 0.16 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1imj h VAL 96 CO -0.03 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.66 1imj h VAL 97 N -0.38 1.08 -0.29 2.57 2.07 -0.72 -2.58 116.25 118.01 1imj h VAL 97 Ca 0.01 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 1imj h VAL 97 Cb 0.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1imj h VAL 97 CO -0.06 0.16 -0.47 -0.78 0.02 0.00 0.00 177.57 176.45 1imj h ASP 98 N 0.90 0.84 -0.45 0.57 -0.00 -0.77 -0.40 116.42 117.11 1imj h ASP 98 Ca 0.32 -0.41 -0.12 0.00 -0.00 0.00 0.00 57.03 56.82 1imj h ASP 98 Cb 0.14 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 1imj h ASP 98 CO -0.10 1.17 -0.17 0.00 -0.00 0.00 0.00 179.24 180.14 1imj h ALA 99 N 0.85 0.79 -0.00 -0.78 0.00 -0.83 -2.94 119.26 116.35 1imj h ALA 99 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1imj h ALA 99 Cb 1.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1imj h ALA 99 CO 0.10 0.66 -0.33 1.28 0.00 0.00 0.00 179.25 180.96 1imj n LEU 100 N -4.13 0.51 -3.74 0.00 4.77 -1.00 -4.96 117.00 108.45 1imj n LEU 100 Ca 0.01 0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 1imj n LEU 100 Cb 0.42 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1imj n LEU 100 CO 0.45 0.11 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.90 1imj n GLU 101 N -1.29 -3.61 0.06 3.23 1.02 -0.20 -4.90 120.64 114.94 1imj n GLU 101 Ca 0.08 0.54 -0.04 0.00 -0.02 0.00 0.00 57.16 57.72 1imj n GLU 101 Cb 0.33 -4.83 -0.09 0.00 -0.02 0.00 0.00 31.44 26.84 1imj n GLU 101 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1imj h LEU 102 N -1.82 0.00 0.00 -4.62 3.38 -1.76 -3.50 115.31 106.98 1imj h LEU 102 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1imj h LEU 102 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1imj h LEU 102 CO 0.56 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1imj n GLY 103 N 1.37 -1.04 3.63 0.83 0.00 -1.26 -4.39 105.19 104.33 1imj n GLY 103 Ca -0.05 -1.63 -0.50 0.00 0.00 0.00 0.00 46.02 43.84 1imj n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1imj n PRO 104 N -0.99 1.79 -4.06 1.61 -0.02 -1.26 -4.91 135.00 127.17 1imj n PRO 104 Ca 0.00 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 1imj n PRO 104 Cb 0.00 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 1imj n PRO 104 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1imj s PRO 105 N 4.68 2.48 -0.16 0.52 0.04 -1.26 -4.58 135.00 136.71 1imj s PRO 105 Ca 0.98 -1.45 -0.24 0.00 0.04 0.00 0.00 61.00 60.34 1imj s PRO 105 Cb -0.75 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 1imj s PRO 105 CO 0.52 0.15 0.75 0.08 0.04 0.00 0.00 177.00 178.54 1imj s VAL 106 N -2.37 4.95 -0.26 -0.36 1.01 -0.83 -4.05 120.40 118.50 1imj s VAL 106 Ca 0.37 1.47 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 1imj s VAL 106 Cb -0.04 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1imj s VAL 106 CO 0.23 0.09 0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1imj s VAL 107 N 1.84 4.76 -0.33 2.92 1.01 -0.80 -0.37 120.40 129.43 1imj s VAL 107 Ca 0.35 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 1imj s VAL 107 Cb -0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1imj s VAL 107 CO 0.13 0.31 0.33 -0.63 0.00 0.00 0.00 175.10 175.24 1imj s ILE 108 N 1.61 5.20 -0.35 2.22 1.01 -0.17 -0.57 121.20 130.15 1imj s ILE 108 Ca 0.06 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1imj s ILE 108 Cb -0.15 -3.76 0.11 0.00 0.01 0.00 0.00 42.46 38.66 1imj s ILE 108 CO 0.07 -0.02 0.13 -0.55 0.00 0.00 0.00 174.94 174.56 1imj s SER 109 N 1.72 4.11 0.12 3.58 0.15 0.01 -1.25 113.70 122.14 1imj s SER 109 Ca 0.11 -2.03 -0.03 0.00 0.70 0.00 0.00 55.95 54.69 1imj s SER 109 Cb -0.17 -1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1imj s SER 109 CO 0.11 -0.37 0.33 -2.16 1.20 0.00 0.00 173.24 172.35 1imj s PRO 110 N 1.10 3.56 0.14 5.44 0.04 -1.26 -1.54 135.00 142.48 1imj s PRO 110 Ca 0.12 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1imj s PRO 110 Cb -0.20 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1imj s PRO 110 CO -0.15 0.51 0.00 0.45 0.04 0.00 0.00 177.00 177.85 1imj n SER 111 N 0.13 0.00 -0.31 6.66 2.88 -0.71 -2.14 113.62 120.13 1imj n SER 111 Ca -0.03 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.68 1imj n SER 111 Cb 0.52 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.33 1imj n SER 111 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1imj h LEU 112 N 0.00 0.12 -0.10 2.46 5.85 -1.86 -0.62 115.31 121.17 1imj h LEU 112 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1imj h LEU 112 Cb 0.00 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1imj h LEU 112 CO 0.00 -0.18 0.03 -1.54 -0.34 0.00 0.00 178.44 176.41 1imj n SER 113 N -5.20 0.04 -0.22 1.25 3.41 -0.91 -2.07 113.62 109.92 1imj n SER 113 Ca 0.25 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 1imj n SER 113 Cb 0.80 -0.50 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 1imj n SER 113 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1imj h GLY 114 N 0.00 1.04 2.00 5.00 0.00 -1.33 0.82 103.07 110.60 1imj h GLY 114 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1imj h GLY 114 CO 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 176.54 176.69 1imj h MET 115 N 0.69 0.00 0.00 4.80 -0.00 -1.56 -2.13 114.93 116.73 1imj h MET 115 Ca 0.38 0.00 -0.40 0.00 -0.00 0.00 0.00 59.70 59.68 1imj h MET 115 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.06 1imj h MET 115 CO -0.15 0.00 -2.41 0.66 -0.00 0.00 0.00 176.91 175.01 1imj n TYR 116 N -3.10 0.00 -0.12 -0.10 4.02 0.11 -1.06 117.16 116.90 1imj n TYR 116 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.75 1imj n TYR 116 Cb 0.11 -0.93 -0.03 0.00 -0.02 0.00 0.00 39.34 38.48 1imj n TYR 116 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1imj h SER 117 N -0.51 0.71 -0.32 7.72 4.64 -1.01 -3.18 113.55 121.60 1imj h SER 117 Ca -0.60 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 60.33 1imj h SER 117 Cb 1.69 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1imj h SER 117 CO -0.26 0.93 0.20 -0.07 -0.87 0.00 0.00 176.83 176.77 1imj h LEU 118 N 0.49 0.38 -1.65 5.97 3.38 -1.62 0.13 115.31 122.39 1imj h LEU 118 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1imj h LEU 118 Cb 0.64 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1imj h LEU 118 CO 0.04 0.31 -0.12 -0.65 0.09 0.00 0.00 178.44 178.11 1imj h PRO 119 N 0.42 0.07 -0.08 1.13 0.11 -1.79 -2.04 132.00 129.83 1imj h PRO 119 Ca 0.12 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 1imj h PRO 119 Cb -0.01 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.10 1imj h PRO 119 CO -0.02 0.20 -0.53 0.35 -0.21 0.00 0.00 178.00 177.79 1imj h PHE 120 N 0.07 0.68 -0.62 0.65 3.57 -1.42 -2.23 116.94 117.65 1imj h PHE 120 Ca 0.01 -0.31 0.07 0.00 3.53 0.00 0.00 57.97 61.27 1imj h PHE 120 Cb 0.26 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1imj h PHE 120 CO 0.00 1.10 0.41 1.25 -2.23 0.00 0.00 178.31 178.84 1imj h LEU 121 N 0.07 0.48 -2.73 0.59 6.46 -0.38 -1.88 115.31 117.92 1imj h LEU 121 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1imj h LEU 121 Cb 1.18 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1imj h LEU 121 CO 0.11 0.31 0.00 0.35 -0.62 0.00 0.00 178.44 178.59 1imj n THR 122 N -4.48 1.03 -2.39 1.05 -2.24 -0.80 -4.84 114.28 101.62 1imj n THR 122 Ca 0.09 -0.99 -0.35 0.00 -2.27 0.00 0.00 64.05 60.53 1imj n THR 122 Cb 0.28 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1imj n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1imj s ALA 123 N -1.06 2.83 0.11 6.98 0.00 -0.71 -4.94 121.76 124.96 1imj s ALA 123 Ca 0.49 0.75 -0.33 0.00 0.00 0.00 0.00 51.96 52.87 1imj s ALA 123 Cb 0.26 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 1imj s ALA 123 CO 0.33 -0.53 1.72 -2.30 0.00 0.00 0.00 175.76 174.98 1imj n PRO 124 N -0.95 2.40 -0.58 0.00 -0.02 -1.26 -1.51 135.00 133.09 1imj n PRO 124 Ca 0.10 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1imj n PRO 124 Cb 0.51 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1imj n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1imj n GLY 125 N 3.89 1.10 3.49 -1.23 0.00 -1.26 -4.92 105.19 106.26 1imj n GLY 125 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1imj n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1imj s SER 126 N -2.89 6.98 -0.41 1.61 0.15 -0.57 -4.95 113.70 113.63 1imj s SER 126 Ca 0.00 -2.79 -0.13 0.00 0.70 0.00 0.00 55.95 53.73 1imj s SER 126 Cb 0.00 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1imj s SER 126 CO 0.00 -0.88 0.28 -1.10 1.20 0.00 0.00 173.24 172.75 1imj s GLN 127 N 2.32 2.86 0.43 5.44 -0.21 -1.26 -4.63 119.66 124.60 1imj s GLN 127 Ca 0.45 -1.19 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 1imj s GLN 127 Cb -0.01 -3.90 -0.05 0.00 1.00 0.00 0.00 33.01 30.05 1imj s GLN 127 CO 0.01 -0.83 0.77 -0.51 -2.12 0.00 0.00 175.29 172.61 1imj s LEU 128 N 1.59 3.77 0.29 2.90 1.43 -1.26 -4.98 118.68 122.41 1imj s LEU 128 Ca 0.03 1.05 0.12 0.00 -1.03 0.00 0.00 54.13 54.30 1imj s LEU 128 Cb -0.21 -3.95 0.40 0.00 0.03 0.00 0.00 46.19 42.46 1imj s LEU 128 CO 0.07 -0.45 1.63 -0.65 0.23 0.00 0.00 176.35 177.17 1imj h PRO 129 N 0.93 0.00 -1.87 1.29 0.11 -1.84 -3.41 132.00 127.22 1imj h PRO 129 Ca -0.47 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.73 1imj h PRO 129 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 1imj h PRO 129 CO 0.63 0.58 0.51 0.20 -0.21 0.00 0.00 178.00 179.71 1imj s GLY 130 N -4.45 -0.37 -0.03 -0.55 0.00 -1.26 -4.18 107.32 96.48 1imj s GLY 130 Ca -0.01 1.57 -0.00 0.00 0.00 0.00 0.00 44.72 46.28 1imj s GLY 130 CO 0.75 0.74 0.01 -0.12 0.00 0.00 0.00 173.10 174.48 1imj s PHE 131 N -1.93 0.31 -0.52 1.90 5.36 0.03 -1.90 117.98 121.23 1imj s PHE 131 Ca 0.01 0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 1imj s PHE 131 Cb -0.01 -0.45 0.14 0.00 -0.34 0.00 0.00 43.02 42.37 1imj s PHE 131 CO -0.02 -0.15 0.31 0.08 -1.46 0.00 0.00 175.22 173.97 1imj s VAL 132 N 1.24 2.06 0.30 3.12 1.01 0.27 -1.28 120.40 127.12 1imj s VAL 132 Ca -0.07 -3.20 -0.27 0.00 0.00 0.00 0.00 61.98 58.44 1imj s VAL 132 Cb -0.13 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 33.74 1imj s VAL 132 CO -0.02 -0.91 0.94 -2.16 0.00 0.00 0.00 175.10 172.95 1imj s PRO 133 N -0.28 4.67 -0.54 2.72 0.04 -1.23 -0.81 135.00 139.57 1imj s PRO 133 Ca 0.20 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1imj s PRO 133 Cb -0.19 -2.95 0.17 0.00 0.04 0.00 0.00 34.50 31.57 1imj s PRO 133 CO -0.05 0.35 0.40 0.08 0.04 0.00 0.00 177.00 177.83 1imj s VAL 134 N -1.48 1.56 -1.15 -0.36 1.01 -0.59 -1.87 120.40 117.53 1imj s VAL 134 Ca 0.47 -3.37 -0.12 0.00 0.00 0.00 0.00 61.98 58.97 1imj s VAL 134 Cb -0.21 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1imj s VAL 134 CO 0.26 -1.11 0.82 0.00 0.00 0.00 0.00 175.10 175.08 1imj n ALA 135 N 2.52 -2.41 -1.52 5.51 0.00 -1.20 -1.73 120.51 121.67 1imj n ALA 135 Ca 0.24 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1imj n ALA 135 Cb 0.41 -4.20 0.05 0.00 0.00 0.00 0.00 19.45 15.71 1imj n ALA 135 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1imj s PRO 136 N -5.47 2.88 0.53 0.00 0.02 -1.26 -2.78 135.00 128.93 1imj s PRO 136 Ca 0.37 1.18 0.01 0.00 0.02 0.00 0.00 61.00 62.58 1imj s PRO 136 Cb -0.10 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.47 1imj s PRO 136 CO 0.81 -1.16 0.75 0.96 -0.33 0.00 0.00 177.00 178.03 1imj s ILE 137 N -2.66 2.91 -0.51 2.83 -4.36 -0.69 -4.39 121.20 114.33 1imj s ILE 137 Ca 0.62 -0.65 0.00 0.00 -0.26 0.00 0.00 60.65 60.36 1imj s ILE 137 Cb -0.17 -3.08 0.00 0.00 1.25 0.00 0.00 42.46 40.46 1imj s ILE 137 CO 0.46 -0.06 0.00 0.00 0.24 0.00 0.00 174.94 175.59 1imj h THR 139 N 0.00 0.08 -0.01 0.00 1.35 -1.93 -1.59 112.91 110.81 1imj h THR 139 Ca -0.10 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1imj h THR 139 Cb 0.72 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1imj h THR 139 CO 0.14 0.02 -0.09 -0.90 -0.25 0.00 0.00 175.52 174.45 1imj n ASP 140 N -3.16 0.79 -0.29 5.36 5.75 -1.26 -3.58 116.55 120.15 1imj n ASP 140 Ca -0.01 -0.96 0.13 0.00 -0.01 0.00 0.00 54.79 53.94 1imj n ASP 140 Cb 0.20 -0.01 0.36 0.00 -1.03 0.00 0.00 41.12 40.64 1imj n ASP 140 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1imj n LYS 141 N -0.59 0.94 -4.05 0.11 4.76 -0.60 -4.75 118.16 113.98 1imj n LYS 141 Ca 0.17 -0.58 -0.35 0.00 -2.87 0.00 0.00 58.31 54.68 1imj n LYS 141 Cb 0.29 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.86 1imj n LYS 141 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1imj s ILE 142 N -2.46 3.69 0.50 -0.18 -1.09 -1.23 -5.10 121.20 115.33 1imj s ILE 142 Ca 0.25 -0.40 -0.17 0.00 -2.23 0.00 0.00 60.65 58.10 1imj s ILE 142 Cb 0.19 -2.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.32 1imj s ILE 142 CO 0.51 0.43 0.98 0.54 -1.23 0.00 0.00 174.94 176.17 1imj s ASN 143 N 1.15 6.64 0.30 3.58 4.22 -1.26 -4.87 114.94 124.71 1imj s ASN 143 Ca 0.02 1.61 0.02 0.00 -2.14 0.00 0.00 52.86 52.37 1imj s ASN 143 Cb -0.15 -2.52 0.75 0.00 1.28 0.00 0.00 41.25 40.61 1imj s ASN 143 CO 0.00 -0.57 1.58 0.00 -2.04 0.00 0.00 177.10 176.08 1imj h ALA 144 N 1.10 1.19 -0.86 3.54 0.00 -1.97 0.89 119.26 123.16 1imj h ALA 144 Ca -0.47 0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1imj h ALA 144 Cb 1.19 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 1imj h ALA 144 CO 0.61 -0.56 0.50 0.00 0.00 0.00 0.00 179.25 179.80 1imj h ALA 145 N 1.94 1.23 -0.12 0.00 0.00 -1.99 0.40 119.26 120.73 1imj h ALA 145 Ca 0.59 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.32 1imj h ALA 145 Cb 1.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1imj h ALA 145 CO -0.87 0.12 -0.75 -0.91 0.00 0.00 0.00 179.25 176.84 1imj h ASN 146 N 0.83 0.71 -0.18 0.00 2.35 -1.20 -2.97 115.58 115.11 1imj h ASN 146 Ca 0.41 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1imj h ASN 146 Cb 0.38 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1imj h ASN 146 CO -0.25 1.23 0.06 1.88 -1.65 0.00 0.00 177.43 178.71 1imj h TYR 147 N 0.41 0.29 0.00 1.19 0.99 -0.94 -2.70 116.97 116.21 1imj h TYR 147 Ca -0.04 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1imj h TYR 147 Cb 1.36 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 39.00 1imj h TYR 147 CO 0.06 0.36 0.00 0.00 -0.00 0.00 0.00 178.16 178.59 1imj h ALA 148 N 0.89 1.00 0.00 3.88 0.00 -0.97 -1.67 119.26 122.40 1imj h ALA 148 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1imj h ALA 148 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1imj h ALA 148 CO -0.00 0.00 -0.36 0.43 0.00 0.00 0.00 179.25 179.32 1imj n SER 149 N -2.80 0.66 -4.62 0.00 7.64 -1.02 -4.70 113.62 108.78 1imj n SER 149 Ca -0.02 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 1imj n SER 149 Cb 0.11 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1imj n SER 149 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1imj s VAL 150 N -3.11 4.68 -0.83 0.44 1.01 -0.63 -4.92 120.40 117.04 1imj s VAL 150 Ca 0.09 1.41 0.24 0.00 0.00 0.00 0.00 61.98 63.72 1imj s VAL 150 Cb 0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1imj s VAL 150 CO 0.66 -0.34 1.29 0.29 0.00 0.00 0.00 175.10 177.01 1imj n LYS 151 N 6.46 0.13 -1.81 2.72 4.76 -1.26 -4.10 118.16 125.06 1imj n LYS 151 Ca 0.07 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 1imj n LYS 151 Cb 0.48 -1.57 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 1imj n LYS 151 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1imj s THR 152 N -3.08 2.18 0.29 -0.18 -4.23 -1.26 -4.68 115.64 104.68 1imj s THR 152 Ca 0.08 0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.44 1imj s THR 152 Cb 0.16 -3.09 -0.12 0.00 1.34 0.00 0.00 72.50 70.78 1imj s THR 152 CO 0.73 0.02 1.54 -2.65 -0.54 0.00 0.00 174.62 173.73 1imj n PRO 153 N 2.78 2.55 -4.54 3.99 -0.02 -1.26 -4.65 135.00 133.86 1imj n PRO 153 Ca 0.10 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1imj n PRO 153 Cb 0.37 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.05 1imj n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1imj s ALA 154 N -0.11 1.27 -0.34 3.55 0.00 -0.06 -0.79 121.76 125.28 1imj s ALA 154 Ca 0.64 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1imj s ALA 154 Cb -0.53 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.43 1imj s ALA 154 CO 0.50 0.28 0.06 -1.17 0.00 0.00 0.00 175.76 175.43 1imj s LEU 155 N -0.80 4.70 -0.50 0.00 2.96 -0.41 -1.12 118.68 123.52 1imj s LEU 155 Ca 0.04 -2.02 -0.27 0.00 -0.22 0.00 0.00 54.13 51.66 1imj s LEU 155 Cb -0.07 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.98 1imj s LEU 155 CO 0.01 -0.39 1.04 -0.63 -1.32 0.00 0.00 176.35 175.06 1imj s ILE 156 N 0.98 4.30 -0.06 6.68 1.01 0.53 -3.47 121.20 131.16 1imj s ILE 156 Ca 0.08 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.62 1imj s ILE 156 Cb -0.20 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 1imj s ILE 156 CO -0.07 -1.02 -0.13 -0.69 0.00 0.00 0.00 174.94 173.04 1imj s VAL 157 N 4.21 3.20 -0.11 2.92 1.01 -0.78 -0.23 120.40 130.62 1imj s VAL 157 Ca 0.41 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1imj s VAL 157 Cb -0.09 -2.28 0.12 0.00 0.00 0.00 0.00 36.38 34.14 1imj s VAL 157 CO 0.27 0.58 1.01 -0.72 0.00 0.00 0.00 175.10 176.24 1imj s TYR 158 N -0.62 -0.30 0.05 5.22 -0.85 -1.08 -3.22 117.35 116.56 1imj s TYR 158 Ca 0.09 0.35 -0.20 0.00 -0.52 0.00 0.00 57.07 56.79 1imj s TYR 158 Cb -0.11 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.66 1imj s TYR 158 CO 0.01 -0.38 0.60 0.20 -1.52 0.00 0.00 175.55 174.46 1imj s GLY 159 N -1.82 2.67 0.00 5.49 0.00 -1.23 -0.92 107.32 111.51 1imj s GLY 159 Ca 0.03 0.06 0.11 0.00 0.00 0.00 0.00 44.72 44.93 1imj s GLY 159 CO -0.04 0.60 1.22 2.09 0.00 0.00 0.00 173.10 176.97 1imj n ASP 160 N 2.06 0.00 -0.92 1.64 3.85 -0.94 -1.24 116.55 121.01 1imj n ASP 160 Ca -0.09 0.02 0.12 0.00 -0.71 0.00 0.00 54.79 54.13 1imj n ASP 160 Cb 0.51 -0.22 0.09 0.00 -1.35 0.00 0.00 41.12 40.15 1imj n ASP 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1imj n GLN 161 N -1.22 2.21 -3.42 0.11 1.13 -0.52 -4.87 117.38 110.79 1imj n GLN 161 Ca 0.06 -1.86 -0.41 0.00 -1.94 0.00 0.00 57.00 52.85 1imj n GLN 161 Cb 0.08 -1.45 -0.10 0.00 0.11 0.00 0.00 30.24 28.88 1imj n GLN 161 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1imj s ASP 162 N -1.98 6.15 0.65 1.08 2.15 -0.37 -4.77 116.67 119.57 1imj s ASP 162 Ca 0.27 -0.46 0.43 0.00 0.43 0.00 0.00 52.55 53.22 1imj s ASP 162 Cb 0.20 -2.19 2.27 0.00 -0.30 0.00 0.00 42.92 42.90 1imj s ASP 162 CO 0.31 -0.38 2.32 1.55 -0.17 0.00 0.00 175.17 178.79 1imj h PRO 163 N 8.55 0.00 0.00 4.34 0.13 -1.89 0.29 132.00 143.41 1imj h PRO 163 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1imj h PRO 163 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1imj h PRO 163 CO 0.71 0.00 -0.16 0.52 -0.23 0.00 0.00 178.00 178.84 1imj h MET 164 N 0.00 0.00 0.71 0.86 2.86 -1.93 -3.28 114.93 114.15 1imj h MET 164 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1imj h MET 164 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1imj h MET 164 CO 0.00 0.00 -0.37 0.78 1.06 0.00 0.00 176.91 178.38 1imj h GLY 165 N 4.36 -1.08 0.87 8.32 0.00 -1.21 -1.33 103.07 113.01 1imj h GLY 165 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1imj h GLY 165 CO 0.00 -0.38 0.32 1.46 0.00 0.00 0.00 176.54 177.94 1imj h GLN 166 N -0.99 0.62 0.58 4.80 1.08 -1.70 -2.12 115.11 117.38 1imj h GLN 166 Ca -0.10 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1imj h GLN 166 Cb 0.77 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1imj h GLN 166 CO 0.14 0.41 -0.46 1.15 -0.95 0.00 0.00 178.83 179.12 1imj h THR 167 N 0.64 0.00 0.00 -0.54 2.02 -1.61 -2.62 112.91 110.80 1imj h THR 167 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1imj h THR 167 Cb 0.02 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1imj h THR 167 CO -0.10 0.00 -0.08 0.77 0.37 0.00 0.00 175.52 176.49 1imj h SER 168 N -1.01 0.00 -0.37 4.18 4.64 -1.25 -2.40 113.55 117.35 1imj h SER 168 Ca -0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1imj h SER 168 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1imj h SER 168 CO 0.01 0.08 0.03 0.15 -0.87 0.00 0.00 176.83 176.22 1imj h PHE 169 N 0.00 0.76 -0.43 4.77 3.57 -1.11 -0.69 116.94 123.80 1imj h PHE 169 Ca -0.00 -0.09 0.11 0.00 3.53 0.00 0.00 57.97 61.52 1imj h PHE 169 Cb 0.14 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1imj h PHE 169 CO 0.00 0.69 0.30 0.93 -2.23 0.00 0.00 178.31 178.01 1imj h GLU 170 N 0.68 0.07 0.04 1.11 4.39 -1.07 0.74 114.58 120.54 1imj h GLU 170 Ca 0.14 -0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.51 1imj h GLU 170 Cb 0.38 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1imj h GLU 170 CO 0.01 0.04 -1.85 0.72 -1.16 0.00 0.00 179.01 176.78 1imj n HIS 171 N -4.43 0.79 0.03 4.33 8.25 -0.94 -4.37 115.22 118.88 1imj n HIS 171 Ca 0.07 0.26 0.03 0.00 -0.26 0.00 0.00 57.72 57.82 1imj n HIS 171 Cb 0.46 -1.09 0.40 0.00 1.12 0.00 0.00 29.99 30.88 1imj n HIS 171 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1imj h LEU 172 N -0.58 0.42 -0.52 2.41 3.38 -0.89 -2.09 115.31 117.44 1imj h LEU 172 Ca -0.46 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1imj h LEU 172 Cb 1.64 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1imj h LEU 172 CO -0.15 0.39 0.05 2.29 0.09 0.00 0.00 178.44 181.10 1imj n LYS 173 N -4.40 0.05 0.00 1.13 2.85 0.23 -0.31 118.16 117.71 1imj n LYS 173 Ca 0.02 0.52 0.10 0.00 -1.05 0.00 0.00 58.31 57.90 1imj n LYS 173 Cb 0.13 -1.72 0.47 0.00 -0.65 0.00 0.00 35.03 33.27 1imj n LYS 173 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1imj n GLN 174 N -1.75 0.10 -2.15 -1.58 6.02 -0.79 -4.68 117.38 112.55 1imj n GLN 174 Ca -0.01 0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1imj n GLN 174 Cb 0.06 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 1imj n GLN 174 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1imj s LEU 175 N -2.86 4.34 0.16 1.08 1.43 0.57 -3.72 118.68 119.69 1imj s LEU 175 Ca 0.13 2.23 -0.21 0.00 -1.03 0.00 0.00 54.13 55.25 1imj s LEU 175 Cb 0.14 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.86 1imj s LEU 175 CO 0.36 -0.75 1.62 -0.65 0.23 0.00 0.00 176.35 177.17 1imj h PRO 176 N 7.78 -0.19 -4.19 1.29 0.11 -1.76 -3.36 132.00 131.67 1imj h PRO 176 Ca -0.40 0.01 -0.72 0.00 0.11 0.00 0.00 66.00 65.01 1imj h PRO 176 Cb 1.19 0.04 -0.31 0.00 0.11 0.00 0.00 31.00 32.03 1imj h PRO 176 CO 0.90 -0.13 -0.39 -0.80 -0.21 0.00 0.00 178.00 177.38 1imj s ASN 177 N -5.09 5.61 0.07 -2.05 0.01 -1.26 -5.06 114.94 107.17 1imj s ASN 177 Ca -0.15 -2.14 -0.06 0.00 -0.71 0.00 0.00 52.86 49.80 1imj s ASN 177 Cb 0.14 -1.96 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 1imj s ASN 177 CO 0.69 -0.60 0.12 -1.38 -1.51 0.00 0.00 177.10 174.41 1imj s HIS 178 N 1.00 0.26 0.06 2.20 -3.43 -1.26 -0.88 115.29 113.24 1imj s HIS 178 Ca 0.09 -0.70 0.03 0.00 -0.80 0.00 0.00 55.06 53.68 1imj s HIS 178 Cb -0.23 -0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 30.73 1imj s HIS 178 CO -0.02 -0.48 -0.10 1.03 -2.00 0.00 0.00 174.74 173.17 1imj s ARG 179 N -3.71 0.66 -0.03 -0.38 0.52 -0.28 -4.95 118.95 110.78 1imj s ARG 179 Ca 0.04 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1imj s ARG 179 Cb 0.05 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.99 1imj s ARG 179 CO -0.10 0.10 -0.11 0.08 0.02 0.00 0.00 175.30 175.29 1imj s VAL 180 N -1.46 3.33 -0.41 3.52 1.01 -1.26 -0.35 120.40 124.77 1imj s VAL 180 Ca -0.06 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1imj s VAL 180 Cb -0.09 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.05 1imj s VAL 180 CO 0.01 0.53 0.19 -0.22 0.00 0.00 0.00 175.10 175.61 1imj s LEU 181 N -0.96 2.92 -0.21 3.92 0.20 0.68 -4.92 118.68 120.32 1imj s LEU 181 Ca 0.13 -2.41 -0.21 0.00 0.69 0.00 0.00 54.13 52.34 1imj s LEU 181 Cb -0.11 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.52 1imj s LEU 181 CO 0.03 -0.31 0.63 -0.63 -0.29 0.00 0.00 176.35 175.78 1imj s ILE 182 N 0.62 5.02 -0.46 6.68 1.01 -1.26 -2.62 121.20 130.18 1imj s ILE 182 Ca 0.15 1.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 1imj s ILE 182 Cb -0.23 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.34 1imj s ILE 182 CO -0.06 0.10 0.52 -0.04 0.00 0.00 0.00 174.94 175.46 1imj s MET 183 N 1.99 3.11 0.23 2.79 -1.94 -0.10 -4.94 119.30 120.43 1imj s MET 183 Ca 0.28 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 53.12 1imj s MET 183 Cb -0.16 -4.03 -0.10 0.00 2.01 0.00 0.00 34.83 32.55 1imj s MET 183 CO 0.10 -1.02 1.40 0.15 -0.01 0.00 0.00 175.02 175.64 1imj s LYS 184 N 2.31 4.31 -0.75 2.03 1.02 -1.26 -2.21 119.74 125.18 1imj s LYS 184 Ca 0.13 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.34 1imj s LYS 184 Cb -0.18 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1imj s LYS 184 CO 0.13 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1imj n GLY 185 N 2.33 0.92 3.57 -3.33 0.00 -1.26 -4.93 105.19 102.48 1imj n GLY 185 Ca 0.07 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1imj n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1imj s ALA 186 N -2.23 2.94 0.13 4.61 0.00 -1.11 -4.96 121.76 121.13 1imj s ALA 186 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1imj s ALA 186 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1imj s ALA 186 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1imj n GLY 187 N 0.26 1.73 0.18 0.00 0.00 -1.26 -1.44 105.19 104.66 1imj n GLY 187 Ca -0.12 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1imj n GLY 187 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1imj h HIS 188 N 0.00 -0.36 -0.78 1.61 2.76 -1.88 -2.73 115.15 113.77 1imj h HIS 188 Ca 0.00 -0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.51 1imj h HIS 188 Cb 0.00 0.13 -0.09 0.00 1.55 0.00 0.00 27.41 29.00 1imj h HIS 188 CO 0.00 -0.22 2.28 -2.30 -1.30 0.00 0.00 177.93 176.39 1imj n PRO 189 N -5.26 3.89 -0.25 5.26 -0.02 -1.26 -4.74 135.00 132.63 1imj n PRO 189 Ca -0.09 -2.83 0.30 0.00 -2.02 0.00 0.00 63.50 58.87 1imj n PRO 189 Cb 0.18 -2.56 0.71 0.00 -0.02 0.00 0.00 33.50 31.81 1imj n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1imj h TYR 191 N 0.05 0.00 0.00 0.00 -0.00 -1.87 -1.51 116.97 113.64 1imj h TYR 191 Ca 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.97 1imj h TYR 191 Cb 1.89 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 38.58 1imj h TYR 191 CO -0.00 0.10 -1.41 -0.07 -0.00 0.00 0.00 178.16 176.77 1imj h LEU 192 N 0.00 0.00 -0.01 0.10 3.38 -1.22 -3.19 115.31 114.37 1imj h LEU 192 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1imj h LEU 192 Cb 0.37 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.14 1imj h LEU 192 CO 0.01 0.97 -0.91 0.44 0.09 0.00 0.00 178.44 179.04 1imj h ASP 193 N 0.00 0.82 -2.33 -0.43 3.32 -1.32 -3.40 116.42 113.09 1imj h ASP 193 Ca -0.17 -0.73 -0.59 0.00 0.02 0.00 0.00 57.03 55.55 1imj h ASP 193 Cb 1.90 -0.25 -0.40 0.00 0.22 0.00 0.00 39.33 40.79 1imj h ASP 193 CO 0.10 1.45 -0.86 0.29 -1.72 0.00 0.00 179.24 178.50 1imj n LYS 194 N -3.96 1.20 -0.18 3.56 5.02 -0.62 -4.99 118.16 118.19 1imj n LYS 194 Ca -0.11 -3.77 -0.00 0.00 -2.02 0.00 0.00 58.31 52.40 1imj n LYS 194 Cb 0.82 -1.76 0.09 0.00 -0.02 0.00 0.00 35.03 34.15 1imj n LYS 194 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1imj h PRO 195 N 4.70 0.17 -0.16 1.97 0.11 -1.77 -1.02 132.00 136.00 1imj h PRO 195 Ca 0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1imj h PRO 195 Cb 0.81 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1imj h PRO 195 CO 0.57 0.11 0.05 0.93 -0.21 0.00 0.00 178.00 179.45 1imj h GLU 196 N 0.17 0.26 -0.82 1.05 4.39 -1.94 0.36 114.58 118.06 1imj h GLU 196 Ca 0.29 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 1imj h GLU 196 Cb 0.44 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1imj h GLU 196 CO -0.43 0.38 0.38 1.49 -1.16 0.00 0.00 179.01 179.67 1imj h GLU 197 N 0.08 1.19 0.06 2.33 4.81 -1.93 -0.62 114.58 120.50 1imj h GLU 197 Ca 0.05 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1imj h GLU 197 Cb 0.23 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1imj h GLU 197 CO -0.00 0.93 -0.03 2.35 -0.73 0.00 0.00 179.01 181.53 1imj h TRP 198 N 1.17 -0.07 -0.66 0.92 2.91 -1.00 -1.59 115.95 117.62 1imj h TRP 198 Ca 0.28 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.23 1imj h TRP 198 Cb 0.14 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 1imj h TRP 198 CO 0.02 0.10 0.16 0.45 -1.03 0.00 0.00 178.44 178.13 1imj h HIS 199 N -0.22 1.10 -0.06 2.65 3.86 -0.78 -1.16 115.15 120.53 1imj h HIS 199 Ca -0.01 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1imj h HIS 199 Cb 0.20 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1imj h HIS 199 CO -0.02 0.90 0.01 1.15 0.86 0.00 0.00 177.93 180.82 1imj h THR 200 N 1.00 1.23 -0.91 2.45 2.02 -1.07 -1.14 112.91 116.49 1imj h THR 200 Ca 0.21 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1imj h THR 200 Cb 0.36 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1imj h THR 200 CO 0.00 0.19 0.53 1.23 0.37 0.00 0.00 175.52 177.85 1imj h GLY 201 N -0.16 1.33 0.88 2.16 0.00 -1.21 -1.05 103.07 105.02 1imj h GLY 201 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1imj h GLY 201 CO 0.00 0.55 -0.14 -2.00 0.00 0.00 0.00 176.54 174.95 1imj h LEU 202 N 1.26 -0.34 -0.70 3.11 6.46 -1.10 -1.45 115.31 122.55 1imj h LEU 202 Ca 0.32 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1imj h LEU 202 Cb -0.03 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1imj h LEU 202 CO -0.06 -0.14 0.46 -0.07 -0.62 0.00 0.00 178.44 178.01 1imj h LEU 203 N -0.52 0.81 -0.78 2.25 3.38 -1.05 -0.63 115.31 118.77 1imj h LEU 203 Ca -0.04 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1imj h LEU 203 Cb 0.39 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1imj h LEU 203 CO 0.07 0.60 0.49 -0.78 0.09 0.00 0.00 178.44 178.91 1imj h ASP 204 N 0.95 0.78 0.44 -0.43 3.58 -1.11 -1.19 116.42 119.44 1imj h ASP 204 Ca 0.26 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 1imj h ASP 204 Cb -0.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1imj h ASP 204 CO -0.05 0.53 -0.21 0.15 -2.88 0.00 0.00 179.24 176.77 1imj h PHE 205 N 0.93 -0.55 -0.49 0.28 3.57 -0.56 -3.02 116.94 117.10 1imj h PHE 205 Ca 0.33 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.95 1imj h PHE 205 Cb 0.08 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1imj h PHE 205 CO -0.04 -0.25 0.35 -0.07 -2.23 0.00 0.00 178.31 176.07 1imj h LEU 206 N -0.78 0.01 -0.71 0.59 3.38 -0.89 -1.47 115.31 115.45 1imj h LEU 206 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1imj h LEU 206 Cb 0.54 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1imj h LEU 206 CO 0.10 0.01 0.19 1.56 0.09 0.00 0.00 178.44 180.39 1imj h GLN 207 N 0.02 1.13 0.00 1.13 4.20 -1.09 -3.00 115.11 117.49 1imj h GLN 207 Ca 0.23 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1imj h GLN 207 Cb 0.91 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1imj h GLN 207 CO -0.01 0.98 0.00 0.41 -0.67 0.00 0.00 178.83 179.55 1imj n GLY 208 N -0.69 -0.82 0.37 3.46 0.00 -0.55 -5.12 105.19 101.83 1imj n GLY 208 Ca 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1imj n GLY 208 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36