#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1seq s ILE 2 N 0.00 3.80 -0.18 5.18 1.01 -1.26 -4.99 121.20 124.76 1seq s ILE 2 Ca 0.00 1.18 -0.22 0.00 0.00 0.00 0.00 60.65 61.61 1seq s ILE 2 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1seq s ILE 2 CO 0.00 -0.00 0.67 -0.69 0.00 0.00 0.00 174.94 174.92 1seq s VAL 3 N 2.34 5.00 -0.28 2.92 1.01 -1.26 -4.77 120.40 125.37 1seq s VAL 3 Ca 0.62 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.80 1seq s VAL 3 Cb -0.30 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1seq s VAL 3 CO 0.26 0.11 0.09 -0.76 0.00 0.00 0.00 175.10 174.80 1seq s LEU 4 N 1.83 3.72 -0.25 3.92 1.43 -1.26 -1.50 118.68 126.57 1seq s LEU 4 Ca 0.31 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1seq s LEU 4 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1seq s LEU 4 CO 0.11 -0.12 0.09 -0.89 0.23 0.00 0.00 176.35 175.77 1seq s THR 5 N 1.57 4.56 -0.30 5.49 2.01 0.64 -3.76 115.64 125.86 1seq s THR 5 Ca 0.05 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1seq s THR 5 Cb -0.16 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.25 1seq s THR 5 CO 0.04 0.33 0.03 -1.10 -0.69 0.00 0.00 174.62 173.23 1seq s GLN 6 N 1.50 2.63 -0.01 4.92 -0.21 -1.26 -1.47 119.66 125.77 1seq s GLN 6 Ca 0.06 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.31 1seq s GLN 6 Cb -0.15 -3.25 -0.00 0.00 1.00 0.00 0.00 33.01 30.61 1seq s GLN 6 CO 0.05 -0.57 -0.05 0.45 -2.12 0.00 0.00 175.29 173.05 1seq s SER 7 N 1.34 0.62 0.72 5.90 0.15 -1.26 -4.08 113.70 117.08 1seq s SER 7 Ca -0.02 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 1seq s SER 7 Cb -0.19 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1seq s SER 7 CO -0.00 0.05 1.08 -2.84 1.20 0.00 0.00 173.24 172.73 1seq s PRO 8 N -0.01 2.60 0.41 5.44 0.02 -1.26 -4.58 135.00 137.61 1seq s PRO 8 Ca 0.01 1.16 0.21 0.00 0.02 0.00 0.00 61.00 62.39 1seq s PRO 8 Cb -0.03 -1.94 0.84 0.00 0.02 0.00 0.00 34.50 33.39 1seq s PRO 8 CO -0.00 -1.38 1.80 0.00 -0.33 0.00 0.00 177.00 177.09 1seq h ALA 9 N -0.71 1.06 -3.42 -1.55 0.00 -1.84 -3.43 119.26 109.37 1seq h ALA 9 Ca -0.44 -0.27 -0.39 0.00 0.00 0.00 0.00 54.91 53.81 1seq h ALA 9 Cb 1.23 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.62 1seq h ALA 9 CO 0.54 0.37 -0.76 0.42 0.00 0.00 0.00 179.25 179.82 1seq s ILE 10 N -3.72 0.32 0.13 0.00 1.01 -1.26 -0.14 121.20 117.53 1seq s ILE 10 Ca -0.00 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.79 1seq s ILE 10 Cb 0.11 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 1seq s ILE 10 CO 0.66 0.20 -0.22 -0.04 0.00 0.00 0.00 174.94 175.53 1seq s MET 11 N 1.28 1.26 -0.07 2.79 -1.94 -0.21 -4.94 119.30 117.46 1seq s MET 11 Ca -0.06 -1.29 0.04 0.00 -1.71 0.00 0.00 55.69 52.68 1seq s MET 11 Cb -0.13 -1.57 -0.01 0.00 2.01 0.00 0.00 34.83 35.12 1seq s MET 11 CO -0.02 0.36 -0.20 0.45 -0.01 0.00 0.00 175.02 175.59 1seq s SER 12 N -2.15 3.45 0.04 3.03 0.15 -1.26 -0.42 113.70 116.54 1seq s SER 12 Ca 0.11 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.39 1seq s SER 12 Cb -0.09 -0.98 -0.02 0.00 -1.71 0.00 0.00 66.02 63.22 1seq s SER 12 CO 0.06 0.25 -0.11 0.00 1.20 0.00 0.00 173.24 174.64 1seq s ALA 13 N -0.20 0.85 0.28 5.45 0.00 0.38 -4.94 121.76 123.58 1seq s ALA 13 Ca -0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 1seq s ALA 13 Cb -0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 1seq s ALA 13 CO 0.03 0.11 0.61 0.45 0.00 0.00 0.00 175.76 176.97 1seq s SER 14 N -1.22 6.60 0.21 0.00 0.15 -1.26 -1.28 113.70 116.91 1seq s SER 14 Ca -0.03 0.97 -0.31 0.00 0.70 0.00 0.00 55.95 57.28 1seq s SER 14 Cb -0.08 -2.25 -0.11 0.00 -1.71 0.00 0.00 66.02 61.87 1seq s SER 14 CO 0.01 -0.17 1.61 -0.76 1.20 0.00 0.00 173.24 175.14 1seq s LEU 15 N -3.14 4.37 0.00 3.45 1.43 -1.26 -2.50 118.68 121.03 1seq s LEU 15 Ca 0.48 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.36 1seq s LEU 15 Cb -0.11 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1seq s LEU 15 CO 0.24 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.55 1seq n GLY 16 N 3.38 2.29 3.95 -3.19 0.00 0.71 -4.89 105.19 107.43 1seq n GLY 16 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1seq n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1seq s SER 17 N -2.31 5.45 -0.08 1.61 1.04 -1.04 -4.33 113.70 114.04 1seq s SER 17 Ca 0.00 0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1seq s SER 17 Cb 0.00 -1.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 1seq s SER 17 CO 0.00 -1.06 0.16 -0.94 0.98 0.00 0.00 173.24 172.38 1seq s SER 18 N -4.35 6.39 0.02 7.02 1.04 -1.12 0.06 113.70 122.77 1seq s SER 18 Ca 0.54 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1seq s SER 18 Cb -0.10 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 1seq s SER 18 CO 0.41 0.35 -0.04 0.54 0.98 0.00 0.00 173.24 175.48 1seq s VAL 19 N -1.14 0.17 -0.07 5.02 0.11 -0.67 -4.99 120.40 118.84 1seq s VAL 19 Ca 0.20 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1seq s VAL 19 Cb -0.12 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1seq s VAL 19 CO 0.10 -0.48 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.32 1seq s THR 20 N -1.45 1.53 -0.10 5.04 2.01 -1.26 -0.84 115.64 120.56 1seq s THR 20 Ca -0.15 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1seq s THR 20 Cb -0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1seq s THR 20 CO -0.01 0.44 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.59 1seq s LEU 21 N 0.41 3.45 0.29 4.42 1.02 0.11 -4.94 118.68 123.43 1seq s LEU 21 Ca -0.14 0.05 0.09 0.00 0.02 0.00 0.00 54.13 54.16 1seq s LEU 21 Cb -0.16 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 1seq s LEU 21 CO 0.05 0.32 0.04 0.42 0.02 0.00 0.00 176.35 177.20 1seq s THR 22 N -0.54 3.34 -0.20 5.49 -4.23 -1.26 -0.71 115.64 117.54 1seq s THR 22 Ca 0.09 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1seq s THR 22 Cb -0.12 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.92 1seq s THR 22 CO 0.02 -0.32 0.32 0.00 -0.54 0.00 0.00 174.62 174.10 1seq s SER 24 N 2.47 5.16 0.08 0.00 1.04 -0.54 -1.43 113.70 120.48 1seq s SER 24 Ca 0.06 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.60 1seq s SER 24 Cb -0.14 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 1seq s SER 24 CO -0.12 0.33 -0.02 0.00 0.98 0.00 0.00 173.24 174.40 1seq s ALA 25 N -0.98 3.21 -0.84 5.32 0.00 0.37 -0.26 121.76 128.58 1seq s ALA 25 Ca 0.16 -1.11 0.26 0.00 0.00 0.00 0.00 51.96 51.27 1seq s ALA 25 Cb -0.11 -1.15 0.99 0.00 0.00 0.00 0.00 23.12 22.84 1seq s ALA 25 CO 0.06 0.68 1.81 -1.13 0.00 0.00 0.00 175.76 177.18 1seq n SER 26 N 0.76 0.39 -3.86 0.00 3.41 -0.56 -4.78 113.62 108.98 1seq n SER 26 Ca -0.12 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1seq n SER 26 Cb 0.52 -0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 1seq n SER 26 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1seq s SER 27 N -3.73 -0.03 0.37 4.04 0.15 -1.26 -4.95 113.70 108.28 1seq s SER 27 Ca 0.11 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.45 1seq s SER 27 Cb 0.15 0.23 -0.11 0.00 -1.71 0.00 0.00 66.02 64.57 1seq s SER 27 CO 0.52 -0.23 1.40 -1.20 1.20 0.00 0.00 173.24 174.93 1seq n SER 28 N 2.11 3.32 -3.99 5.45 7.64 -1.26 -4.72 113.62 122.16 1seq n SER 28 Ca -0.19 1.21 -0.14 0.00 1.01 0.00 0.00 58.87 60.77 1seq n SER 28 Cb 0.57 -1.56 -0.13 0.00 -1.01 0.00 0.00 64.21 62.08 1seq n SER 28 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1seq s VAL 29 N -1.11 0.40 0.20 0.44 -7.23 -0.48 -4.99 120.40 107.63 1seq s VAL 29 Ca 0.55 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 60.07 1seq s VAL 29 Cb -0.51 -0.41 0.03 0.00 0.56 0.00 0.00 36.38 36.04 1seq s VAL 29 CO 0.63 -0.14 1.61 0.28 -0.31 0.00 0.00 175.10 177.17 1seq h SER 30 N 5.33 0.84 -5.31 4.85 0.02 -1.95 -3.35 113.55 113.98 1seq h SER 30 Ca -0.31 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.20 1seq h SER 30 Cb 1.20 -0.23 -0.14 0.00 0.14 0.00 0.00 62.40 63.37 1seq h SER 30 CO 0.46 1.03 -0.50 -0.31 -1.14 0.00 0.00 176.83 176.37 1seq s TYR 32 N -4.62 0.56 0.06 3.45 1.51 -1.26 -4.89 117.35 112.15 1seq s TYR 32 Ca -0.10 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.04 1seq s TYR 32 Cb 0.13 -0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1seq s TYR 32 CO 0.84 -0.58 -0.10 1.41 -1.11 0.00 0.00 175.55 176.02 1seq s MET 33 N -3.98 0.65 0.13 -0.62 1.75 -1.26 -4.76 119.30 111.20 1seq s MET 33 Ca 0.17 -0.85 0.06 0.00 -1.25 0.00 0.00 55.69 53.81 1seq s MET 33 Cb 0.06 -0.48 -0.04 0.00 2.84 0.00 0.00 34.83 37.21 1seq s MET 33 CO -0.02 0.09 -0.13 -1.01 -0.65 0.00 0.00 175.02 173.30 1seq s HIS 34 N -1.44 1.38 -0.02 4.11 0.09 -0.05 0.21 115.29 119.57 1seq s HIS 34 Ca -0.06 -0.58 0.03 0.00 -0.00 0.00 0.00 55.06 54.44 1seq s HIS 34 Cb -0.09 -0.72 -0.00 0.00 -0.00 0.00 0.00 32.58 31.77 1seq s HIS 34 CO 0.01 0.14 -0.09 -1.58 -0.00 0.00 0.00 174.74 173.22 1seq s TRP 35 N -2.33 0.91 0.18 1.40 0.52 -0.05 -0.55 118.94 119.01 1seq s TRP 35 Ca 0.10 -0.20 0.11 0.00 0.02 0.00 0.00 56.10 56.14 1seq s TRP 35 Cb -0.04 -0.61 -0.04 0.00 -1.15 0.00 0.00 33.47 31.63 1seq s TRP 35 CO 0.03 -0.05 -0.24 0.71 0.02 0.00 0.00 176.95 177.42 1seq s TYR 36 N -0.04 2.32 -0.08 -1.98 1.51 0.08 -0.31 117.35 118.86 1seq s TYR 36 Ca 0.01 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1seq s TYR 36 Cb -0.06 -1.16 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1seq s TYR 36 CO -0.00 0.48 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.56 1seq s GLN 37 N -2.59 2.71 -0.22 -0.62 0.74 0.45 -1.00 119.66 119.12 1seq s GLN 37 Ca 0.20 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.82 1seq s GLN 37 Cb -0.08 -2.11 0.05 0.00 1.10 0.00 0.00 33.01 31.96 1seq s GLN 37 CO 0.10 0.20 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.78 1seq s GLN 38 N 0.26 2.23 0.39 1.67 0.74 0.61 -0.24 119.66 125.33 1seq s GLN 38 Ca -0.15 -1.02 0.03 0.00 0.05 0.00 0.00 55.36 54.27 1seq s GLN 38 Cb -0.17 -2.62 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1seq s GLN 38 CO 0.07 -0.45 0.57 0.15 -0.55 0.00 0.00 175.29 175.08 1seq s LYS 39 N 1.28 3.13 -0.06 1.67 1.02 -1.26 -1.57 119.74 123.95 1seq s LYS 39 Ca -0.03 -0.69 -0.37 0.00 0.02 0.00 0.00 55.97 54.90 1seq s LYS 39 Cb -0.17 -2.68 -0.15 0.00 -0.52 0.00 0.00 37.83 34.31 1seq s LYS 39 CO -0.08 -0.08 1.62 0.45 -0.92 0.00 0.00 175.35 176.35 1seq n SER 40 N -1.86 2.50 0.00 2.83 2.88 -1.26 -2.30 113.62 116.41 1seq n SER 40 Ca -0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1seq n SER 40 Cb 0.58 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1seq n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1seq n GLY 41 N 3.61 0.65 3.38 0.46 0.00 -1.26 -5.02 105.19 107.01 1seq n GLY 41 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1seq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1seq s THR 42 N -2.83 1.60 0.66 2.61 -4.23 -0.97 -5.14 115.64 107.33 1seq s THR 42 Ca 0.00 -2.15 -0.11 0.00 -1.18 0.00 0.00 61.69 58.25 1seq s THR 42 Cb 0.00 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1seq s THR 42 CO 0.00 -0.44 1.05 -0.94 -0.54 0.00 0.00 174.62 173.75 1seq s SER 43 N -3.37 5.74 0.27 3.99 1.04 -1.26 -4.49 113.70 115.63 1seq s SER 43 Ca 0.26 1.55 -0.30 0.00 0.48 0.00 0.00 55.95 57.93 1seq s SER 43 Cb 0.02 -2.49 -0.13 0.00 0.10 0.00 0.00 66.02 63.52 1seq s SER 43 CO 0.09 -1.20 1.35 -2.65 0.98 0.00 0.00 173.24 171.81 1seq n PRO 44 N -2.92 2.00 -4.85 4.02 -0.02 -1.26 -4.73 135.00 127.24 1seq n PRO 44 Ca 0.07 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 1seq n PRO 44 Cb 0.54 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 1seq n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1seq s VAL 45 N -0.38 3.04 0.11 -1.45 1.01 0.67 -4.90 120.40 118.51 1seq s VAL 45 Ca 0.64 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1seq s VAL 45 Cb -0.64 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 1seq s VAL 45 CO 0.53 0.56 1.38 -0.22 0.00 0.00 0.00 175.10 177.36 1seq s LEU 46 N -0.29 4.37 -0.16 3.92 2.96 -1.26 -0.41 118.68 127.80 1seq s LEU 46 Ca 0.02 2.30 -0.09 0.00 -0.22 0.00 0.00 54.13 56.14 1seq s LEU 46 Cb -0.13 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1seq s LEU 46 CO 0.03 -0.64 -0.22 0.18 -1.32 0.00 0.00 176.35 174.38 1seq n LEU 47 N 4.01 1.23 -4.02 -0.68 4.77 0.58 -4.71 117.00 118.18 1seq n LEU 47 Ca 0.11 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 56.08 1seq n LEU 47 Cb 0.43 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1seq n LEU 47 CO 0.58 0.27 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.83 1seq s ILE 48 N -2.33 0.97 0.16 -0.08 -1.09 -1.00 -1.33 121.20 116.50 1seq s ILE 48 Ca -0.23 -0.42 0.09 0.00 -2.23 0.00 0.00 60.65 57.86 1seq s ILE 48 Cb 0.08 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 40.05 1seq s ILE 48 CO 0.29 0.30 -0.21 -0.72 -1.23 0.00 0.00 174.94 173.38 1seq s TYR 49 N 0.42 1.96 -1.35 3.97 -0.85 0.34 -0.87 117.35 120.97 1seq s TYR 49 Ca -0.08 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1seq s TYR 49 Cb -0.12 -1.00 -0.00 0.00 0.38 0.00 0.00 41.96 41.22 1seq s TYR 49 CO 0.02 0.35 0.57 2.41 -1.52 0.00 0.00 175.55 177.37 1seq n THR 50 N 0.47 -3.89 0.00 -3.49 -1.04 -1.25 -1.21 114.28 103.87 1seq n THR 50 Ca -0.14 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1seq n THR 50 Cb 0.56 -3.28 0.00 0.00 -1.82 0.00 0.00 70.33 65.78 1seq n THR 50 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1seq n THR 51 N -4.32 0.00 -0.88 12.58 -1.04 0.13 -4.08 114.28 116.66 1seq n THR 51 Ca -0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1seq n THR 51 Cb 0.68 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 1seq n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1seq n SER 52 N 1.23 0.20 -4.72 8.00 3.41 -1.21 -3.37 113.62 117.16 1seq n SER 52 Ca 0.00 -1.08 -0.37 0.00 -0.26 0.00 0.00 58.87 57.16 1seq n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1seq n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1seq s ASN 53 N -0.08 6.56 0.06 4.04 0.01 -0.35 -4.55 114.94 120.63 1seq s ASN 53 Ca 0.00 0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 1seq s ASN 53 Cb 0.00 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 1seq s ASN 53 CO 0.00 0.03 1.08 -0.76 -1.51 0.00 0.00 177.10 175.94 1seq s LEU 54 N 0.63 4.40 0.69 0.60 1.43 -1.26 -0.50 118.68 124.67 1seq s LEU 54 Ca 0.21 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1seq s LEU 54 Cb -0.14 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1seq s LEU 54 CO 0.07 -0.32 1.06 0.00 0.23 0.00 0.00 176.35 177.40 1seq s ALA 55 N 0.76 2.67 0.12 4.21 0.00 -0.44 -4.91 121.76 124.16 1seq s ALA 55 Ca 0.54 0.11 -0.35 0.00 0.00 0.00 0.00 51.96 52.25 1seq s ALA 55 Cb -0.26 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 1seq s ALA 55 CO 0.30 -1.22 1.46 0.43 0.00 0.00 0.00 175.76 176.73 1seq n SER 56 N -3.08 2.38 0.00 0.00 7.64 -1.26 -2.08 113.62 117.21 1seq n SER 56 Ca 0.08 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1seq n SER 56 Cb 0.53 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1seq n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1seq n GLY 57 N 2.99 0.98 3.71 0.23 0.00 -1.26 -5.03 105.19 106.81 1seq n GLY 57 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1seq n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1seq s VAL 58 N -3.80 5.05 0.51 1.61 1.01 -0.89 -5.03 120.40 118.86 1seq s VAL 58 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 61.98 63.16 1seq s VAL 58 Cb 0.00 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1seq s VAL 58 CO 0.00 0.24 1.26 -0.81 0.00 0.00 0.00 175.10 175.79 1seq n PRO 59 N 3.90 1.66 0.00 2.72 -0.04 -1.26 -4.87 135.00 137.11 1seq n PRO 59 Ca -0.01 0.60 0.04 0.00 -0.04 0.00 0.00 63.50 64.09 1seq n PRO 59 Cb 0.51 -2.44 0.21 0.00 -0.04 0.00 0.00 33.50 31.75 1seq n PRO 59 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1seq n SER 60 N -0.50 0.00 0.00 3.54 3.41 -1.26 -1.99 113.62 116.81 1seq n SER 60 Ca 0.09 0.30 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1seq n SER 60 Cb 0.43 -0.38 0.45 0.00 -0.26 0.00 0.00 64.21 64.45 1seq n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1seq n ARG 61 N -1.38 0.14 -3.67 4.33 1.85 -1.26 -4.66 116.66 112.01 1seq n ARG 61 Ca 0.03 0.14 -0.37 0.00 -1.00 0.00 0.00 57.85 56.65 1seq n ARG 61 Cb 0.09 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.94 1seq n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1seq s PHE 62 N -2.79 3.65 0.15 2.89 0.08 -0.84 -0.30 117.98 120.82 1seq s PHE 62 Ca 0.14 0.76 -0.16 0.00 0.12 0.00 0.00 56.93 57.79 1seq s PHE 62 Cb 0.13 -2.12 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1seq s PHE 62 CO 0.32 0.65 0.43 -1.54 -0.10 0.00 0.00 175.22 174.98 1seq s SER 63 N -1.28 -0.21 0.02 1.36 1.04 -0.56 -4.97 113.70 109.11 1seq s SER 63 Ca 0.23 -0.43 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 1seq s SER 63 Cb -0.14 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1seq s SER 63 CO 0.12 -0.92 0.18 -0.83 0.98 0.00 0.00 173.24 172.77 1seq s GLY 64 N -2.84 0.02 0.17 7.32 0.00 -1.26 -0.82 107.32 109.91 1seq s GLY 64 Ca 0.07 -0.18 -0.14 0.00 0.00 0.00 0.00 44.72 44.47 1seq s GLY 64 CO -0.08 -0.34 0.40 -1.35 0.00 0.00 0.00 173.10 171.73 1seq s SER 65 N -1.76 -0.13 0.00 1.64 1.04 -0.87 -4.18 113.70 109.44 1seq s SER 65 Ca -0.09 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1seq s SER 65 Cb -0.04 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1seq s SER 65 CO -0.01 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1seq n GLY 66 N -0.26 1.88 3.59 7.32 0.00 -1.26 -0.62 105.19 115.84 1seq n GLY 66 Ca -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 1seq n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1seq s SER 67 N 0.00 -0.17 1.90 1.61 0.15 -0.79 -4.98 113.70 111.42 1seq s SER 67 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1seq s SER 67 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1seq s SER 67 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1seq n GLY 68 N 0.12 1.23 0.15 9.45 0.00 -1.26 -1.54 105.19 113.34 1seq n GLY 68 Ca -0.02 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1seq n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1seq n THR 69 N 0.00 0.81 -3.89 2.61 -2.24 -1.26 -1.38 114.28 108.94 1seq n THR 69 Ca 0.00 -0.91 -0.27 0.00 -2.27 0.00 0.00 64.05 60.60 1seq n THR 69 Cb 0.00 0.61 -0.17 0.00 -2.10 0.00 0.00 70.33 68.67 1seq n THR 69 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1seq s PHE 70 N -0.85 1.56 0.17 4.78 5.36 -0.59 -0.48 117.98 127.93 1seq s PHE 70 Ca 0.05 -0.91 0.05 0.00 -0.96 0.00 0.00 56.93 55.16 1seq s PHE 70 Cb 0.03 -1.25 -0.05 0.00 -0.34 0.00 0.00 43.02 41.41 1seq s PHE 70 CO 0.04 -0.57 -0.11 0.71 -1.46 0.00 0.00 175.22 173.83 1seq s TYR 71 N 1.68 1.41 0.14 10.12 1.51 -0.51 -1.89 117.35 129.81 1seq s TYR 71 Ca 0.02 -0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 55.24 1seq s TYR 71 Cb -0.14 -0.70 0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1seq s TYR 71 CO -0.08 0.16 0.35 -1.54 -1.11 0.00 0.00 175.55 173.33 1seq s SER 72 N -3.22 -0.10 -0.08 2.29 1.04 0.21 -1.05 113.70 112.78 1seq s SER 72 Ca 0.19 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.10 1seq s SER 72 Cb 0.02 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1seq s SER 72 CO 0.03 -0.87 -0.13 -0.22 0.98 0.00 0.00 173.24 173.03 1seq s LEU 73 N -2.86 1.65 -0.05 2.42 2.96 0.11 -2.05 118.68 120.86 1seq s LEU 73 Ca 0.07 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1seq s LEU 73 Cb 0.02 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 1seq s LEU 73 CO -0.08 0.02 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.86 1seq s THR 74 N 0.84 2.36 -0.31 3.68 2.01 0.00 0.07 115.64 124.29 1seq s THR 74 Ca -0.11 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 1seq s THR 74 Cb -0.15 -1.87 0.04 0.00 0.01 0.00 0.00 72.50 70.52 1seq s THR 74 CO 0.01 0.57 0.04 -0.63 -0.69 0.00 0.00 174.62 173.92 1seq s ILE 75 N -0.36 3.32 0.20 1.82 1.01 -0.02 -1.50 121.20 125.68 1seq s ILE 75 Ca 0.02 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1seq s ILE 75 Cb -0.12 -2.87 0.12 0.00 0.01 0.00 0.00 42.46 39.60 1seq s ILE 75 CO 0.02 -0.09 1.74 0.77 0.00 0.00 0.00 174.94 177.38 1seq h SER 76 N 8.09 0.19 -2.15 3.58 4.64 -0.94 -1.78 113.55 125.18 1seq h SER 76 Ca -0.24 0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 60.89 1seq h SER 76 Cb 1.08 0.06 -0.33 0.00 -0.31 0.00 0.00 62.40 62.90 1seq h SER 76 CO 0.56 0.13 -0.59 -0.94 -0.87 0.00 0.00 176.83 175.13 1seq s SER 77 N -5.39 1.12 0.26 4.97 1.04 -1.24 -2.79 113.70 111.68 1seq s SER 77 Ca -0.13 -0.33 -0.31 0.00 0.48 0.00 0.00 55.95 55.67 1seq s SER 77 Cb 0.16 0.68 -0.13 0.00 0.10 0.00 0.00 66.02 66.83 1seq s SER 77 CO 0.74 -0.35 1.49 0.52 0.98 0.00 0.00 173.24 176.62 1seq n VAL 78 N 5.33 0.98 -4.44 5.02 0.31 0.11 -4.61 118.33 121.03 1seq n VAL 78 Ca -0.03 -0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 63.81 1seq n VAL 78 Cb 0.48 -1.68 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 1seq n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1seq s GLU 79 N -0.44 1.82 0.38 5.55 0.41 -1.26 -0.21 118.70 124.95 1seq s GLU 79 Ca 0.66 -1.72 0.07 0.00 -0.41 0.00 0.00 54.97 53.58 1seq s GLU 79 Cb -0.58 -1.84 0.79 0.00 -1.78 0.00 0.00 34.13 30.71 1seq s GLU 79 CO 0.49 0.32 1.98 0.00 -0.49 0.00 0.00 175.26 177.56 1seq h ALA 80 N 2.17 1.73 0.00 5.21 0.00 -1.92 -1.33 119.26 125.12 1seq h ALA 80 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1seq h ALA 80 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1seq h ALA 80 CO 0.61 0.17 0.00 0.43 0.00 0.00 0.00 179.25 180.46 1seq n SER 81 N -4.47 0.00 -0.11 0.00 7.64 -1.15 -2.47 113.62 113.06 1seq n SER 81 Ca 0.09 0.26 0.14 0.00 1.01 0.00 0.00 58.87 60.37 1seq n SER 81 Cb 0.20 -0.35 0.61 0.00 -1.01 0.00 0.00 64.21 63.66 1seq n SER 81 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1seq n ASP 82 N -1.35 0.46 -4.61 6.43 8.00 -0.50 -4.80 116.55 120.18 1seq n ASP 82 Ca 0.04 -0.55 -0.43 0.00 0.71 0.00 0.00 54.79 54.56 1seq n ASP 82 Cb 0.09 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1seq n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1seq s ALA 83 N -2.49 2.85 -0.03 2.24 0.00 -1.03 -4.78 121.76 118.51 1seq s ALA 83 Ca 0.28 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 1seq s ALA 83 Cb 0.20 -4.04 0.10 0.00 0.00 0.00 0.00 23.12 19.38 1seq s ALA 83 CO 0.48 -2.63 1.30 0.00 0.00 0.00 0.00 175.76 174.91 1seq s ALA 84 N 7.68 -2.50 -0.12 0.00 0.00 -1.21 -4.81 121.76 120.81 1seq s ALA 84 Ca 0.97 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 1seq s ALA 84 Cb -0.33 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1seq s ALA 84 CO 0.36 -1.15 0.11 -0.51 0.00 0.00 0.00 175.76 174.57 1seq s ASP 85 N -3.76 6.16 -0.10 0.00 1.01 -0.61 -0.92 116.67 118.45 1seq s ASP 85 Ca 0.29 0.39 0.04 0.00 0.71 0.00 0.00 52.55 53.98 1seq s ASP 85 Cb 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1seq s ASP 85 CO -0.01 0.39 -0.24 -0.31 0.21 0.00 0.00 175.17 175.21 1seq s TYR 86 N -0.91 2.55 -0.05 4.23 1.51 -0.03 -0.28 117.35 124.37 1seq s TYR 86 Ca 0.14 -1.05 0.06 0.00 -1.01 0.00 0.00 57.07 55.21 1seq s TYR 86 Cb -0.12 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1seq s TYR 86 CO 0.03 -0.42 -0.23 0.71 -1.11 0.00 0.00 175.55 174.54 1seq s TYR 87 N 0.35 2.19 0.43 2.71 1.51 -0.17 -1.32 117.35 123.04 1seq s TYR 87 Ca -0.19 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1seq s TYR 87 Cb -0.18 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1seq s TYR 87 CO 0.09 -0.18 0.65 0.00 -1.11 0.00 0.00 175.55 175.00 1seq s HIS 89 N -2.52 -0.68 0.01 0.00 5.04 0.28 -1.26 115.29 116.17 1seq s HIS 89 Ca 0.47 1.54 0.04 0.00 -1.54 0.00 0.00 55.06 55.57 1seq s HIS 89 Cb -0.10 0.27 -0.01 0.00 0.04 0.00 0.00 32.58 32.78 1seq s HIS 89 CO 0.38 -0.41 -0.12 1.14 -2.34 0.00 0.00 174.74 173.39 1seq s GLN 90 N -0.07 0.86 -0.04 2.88 1.03 -0.79 -0.87 119.66 122.67 1seq s GLN 90 Ca -0.03 -0.56 0.12 0.00 0.04 0.00 0.00 55.36 54.93 1seq s GLN 90 Cb -0.04 -0.83 0.22 0.00 0.03 0.00 0.00 33.01 32.39 1seq s GLN 90 CO 0.03 0.22 1.10 -2.67 -2.54 0.00 0.00 175.29 171.42 1seq n TRP 91 N 2.35 0.00 0.17 9.60 4.27 -1.26 -2.08 117.44 130.49 1seq n TRP 91 Ca -0.16 -0.43 0.05 0.00 -3.89 0.00 0.00 57.50 53.07 1seq n TRP 91 Cb 0.56 -0.11 0.24 0.00 -1.36 0.00 0.00 31.31 30.63 1seq n TRP 91 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 1seq h SER 92 N 0.43 0.00 -3.84 -0.67 0.02 -1.95 -3.45 113.55 104.09 1seq h SER 92 Ca -0.08 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.61 1seq h SER 92 Cb 1.49 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.75 1seq h SER 92 CO 0.03 0.42 -0.73 -0.55 -1.14 0.00 0.00 176.83 174.86 1seq s SER 93 N -6.43 0.21 0.15 3.07 0.15 -1.26 -5.02 113.70 104.57 1seq s SER 93 Ca 0.01 -0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.33 1seq s SER 93 Cb 0.10 -0.02 -0.07 0.00 -1.71 0.00 0.00 66.02 64.32 1seq s SER 93 CO 0.70 0.01 0.85 -0.31 1.20 0.00 0.00 173.24 175.69 1seq s TYR 94 N -0.11 3.87 0.44 3.44 1.51 -1.26 -3.18 117.35 122.06 1seq s TYR 94 Ca -0.00 1.71 -0.20 0.00 -1.01 0.00 0.00 57.07 57.56 1seq s TYR 94 Cb -0.01 -2.89 -0.11 0.00 -0.11 0.00 0.00 41.96 38.84 1seq s TYR 94 CO -0.00 0.38 0.95 -1.25 -1.11 0.00 0.00 175.55 174.53 1seq s PRO 95 N -0.67 4.19 0.38 -1.71 0.04 -1.26 -4.18 135.00 131.80 1seq s PRO 95 Ca 0.40 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.27 1seq s PRO 95 Cb -0.23 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 1seq s PRO 95 CO 0.28 -0.06 1.29 -1.58 0.04 0.00 0.00 177.00 176.96 1seq s TRP 96 N -2.23 2.91 0.25 0.56 0.51 -1.19 -4.35 118.94 115.41 1seq s TRP 96 Ca 0.62 1.43 0.03 0.00 -2.12 0.00 0.00 56.10 56.05 1seq s TRP 96 Cb -0.09 -3.64 -0.05 0.00 -0.81 0.00 0.00 33.47 28.88 1seq s TRP 96 CO 0.15 -1.92 0.05 0.95 -0.51 0.00 0.00 176.95 175.67 1seq s THR 97 N -1.25 0.85 0.06 2.01 -4.23 -0.88 -5.01 115.64 107.19 1seq s THR 97 Ca 0.55 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1seq s THR 97 Cb -0.38 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1seq s THR 97 CO 0.49 -0.15 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.95 1seq s PHE 98 N -3.55 0.93 0.86 3.99 0.40 -1.26 -1.88 117.98 117.47 1seq s PHE 98 Ca 0.33 -0.51 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1seq s PHE 98 Cb 0.07 -0.53 0.11 0.00 0.51 0.00 0.00 43.02 43.18 1seq s PHE 98 CO 0.11 -0.02 1.13 0.20 0.70 0.00 0.00 175.22 177.34 1seq s GLY 99 N -1.75 1.59 0.00 4.36 0.00 -0.39 -4.50 107.32 106.63 1seq s GLY 99 Ca -0.05 -0.44 0.23 0.00 0.00 0.00 0.00 44.72 44.46 1seq s GLY 99 CO 0.01 0.06 1.74 0.61 0.00 0.00 0.00 173.10 175.52 1seq n GLY 100 N -2.34 -1.29 0.00 0.20 0.00 -1.25 -4.72 105.19 95.80 1seq n GLY 100 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1seq n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1seq n GLY 101 N 0.88 -0.94 3.14 -0.02 0.00 -1.26 -5.03 105.19 101.96 1seq n GLY 101 Ca 0.06 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1seq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1seq s THR 102 N -2.66 1.80 -0.11 2.61 2.01 -0.43 -4.70 115.64 114.16 1seq s THR 102 Ca 0.00 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 1seq s THR 102 Cb 0.00 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1seq s THR 102 CO 0.00 0.50 0.49 -0.75 -0.69 0.00 0.00 174.62 174.17 1seq s LYS 103 N 0.65 4.34 -0.30 4.92 2.20 0.80 -0.85 119.74 131.50 1seq s LYS 103 Ca -0.13 0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.84 1seq s LYS 103 Cb -0.16 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1seq s LYS 103 CO 0.03 0.16 0.22 -1.17 -0.36 0.00 0.00 175.35 174.23 1seq s LEU 104 N 0.61 4.16 -0.11 5.43 2.96 -0.10 -1.05 118.68 130.58 1seq s LEU 104 Ca 0.27 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.02 1seq s LEU 104 Cb -0.15 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1seq s LEU 104 CO 0.11 -0.12 0.10 -1.83 -1.32 0.00 0.00 176.35 173.29 1seq s GLU 105 N 1.78 3.32 -0.21 1.98 -1.05 0.43 -3.30 118.70 121.65 1seq s GLU 105 Ca 0.07 -0.21 -0.10 0.00 -0.15 0.00 0.00 54.97 54.59 1seq s GLU 105 Cb -0.16 -3.08 -0.05 0.00 -0.44 0.00 0.00 34.13 30.40 1seq s GLU 105 CO 0.11 0.75 0.13 0.42 0.95 0.00 0.00 175.26 177.62 1seq s ILE 106 N -0.98 5.26 0.34 1.83 -1.09 -1.26 -0.47 121.20 124.83 1seq s ILE 106 Ca 0.14 0.14 -0.25 0.00 -2.23 0.00 0.00 60.65 58.45 1seq s ILE 106 Cb -0.12 -3.42 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 1seq s ILE 106 CO 0.03 0.41 0.97 -0.54 -1.23 0.00 0.00 174.94 174.58 1seq s LYS 106 N 0.64 4.49 0.30 2.79 1.02 -0.40 -4.94 119.74 123.64 1seq s LYS 106 Ca 0.07 1.35 -0.07 0.00 0.02 0.00 0.00 55.97 57.33 1seq s LYS 106 Cb -0.12 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1seq s LYS 106 CO 0.01 0.18 0.52 2.89 -0.92 0.00 0.00 175.35 178.03 1seq n ARG 107 N 0.36 0.75 -2.55 1.68 1.85 -1.26 -4.57 116.66 112.92 1seq n ARG 107 Ca 0.03 -1.93 -0.36 0.00 -1.00 0.00 0.00 57.85 54.59 1seq n ARG 107 Cb 0.50 2.15 -0.04 0.00 -1.05 0.00 0.00 32.46 34.02 1seq n ARG 107 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1seq s ALA 108 N -2.11 3.04 0.53 2.89 0.00 -1.26 -4.99 121.76 119.86 1seq s ALA 108 Ca 0.17 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 1seq s ALA 108 Cb -0.03 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1seq s ALA 108 CO 0.12 -0.23 1.36 -0.25 0.00 0.00 0.00 175.76 176.77 1seq n ASP 109 N -0.27 2.75 -3.75 0.00 8.00 -1.26 -4.74 116.55 117.28 1seq n ASP 109 Ca 0.06 1.00 -0.13 0.00 0.71 0.00 0.00 54.79 56.43 1seq n ASP 109 Cb 0.50 -1.58 -0.13 0.00 -0.02 0.00 0.00 41.12 39.89 1seq n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1seq s ALA 110 N -1.27 -0.44 0.46 2.24 0.00 -0.27 -4.90 121.76 117.58 1seq s ALA 110 Ca 0.70 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 1seq s ALA 110 Cb -0.42 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 1seq s ALA 110 CO 0.51 -0.17 1.07 0.00 0.00 0.00 0.00 175.76 177.17 1seq s ALA 111 N 1.04 2.93 0.58 0.00 0.00 -1.26 -1.77 121.76 123.28 1seq s ALA 111 Ca -0.08 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1seq s ALA 111 Cb -0.09 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1seq s ALA 111 CO -0.06 -0.39 1.01 -1.25 0.00 0.00 0.00 175.76 175.07 1seq s PRO 112 N -2.93 3.70 -0.34 0.00 0.04 -1.26 -4.58 135.00 129.63 1seq s PRO 112 Ca 0.64 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1seq s PRO 112 Cb -0.21 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1seq s PRO 112 CO 0.25 -0.49 0.51 0.99 0.04 0.00 0.00 177.00 178.31 1seq s THR 113 N -2.87 5.02 -0.13 1.26 2.01 -0.37 -4.85 115.64 115.71 1seq s THR 113 Ca 0.58 0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.95 1seq s THR 113 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1seq s THR 113 CO 0.43 -0.17 0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 1seq s VAL 114 N 2.39 4.82 -0.05 3.82 1.01 -1.26 -1.25 120.40 129.88 1seq s VAL 114 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1seq s VAL 114 Cb -0.15 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1seq s VAL 114 CO 0.13 0.55 -0.02 -0.44 0.00 0.00 0.00 175.10 175.32 1seq s SER 115 N -0.42 1.04 -0.03 3.32 0.01 -0.76 -4.95 113.70 111.92 1seq s SER 115 Ca 0.09 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.29 1seq s SER 115 Cb -0.12 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 1seq s SER 115 CO 0.02 -0.11 -0.06 -0.51 0.41 0.00 0.00 173.24 172.98 1seq s ILE 116 N 1.29 3.70 -0.05 1.44 2.07 -1.26 -1.15 121.20 127.23 1seq s ILE 116 Ca -0.06 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1seq s ILE 116 Cb -0.13 -2.57 0.02 0.00 0.13 0.00 0.00 42.46 39.90 1seq s ILE 116 CO -0.02 0.47 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.06 1seq s PHE 117 N -0.93 0.94 0.74 3.50 0.40 0.63 -5.01 117.98 118.26 1seq s PHE 117 Ca 0.15 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.07 1seq s PHE 117 Cb -0.11 -0.79 0.04 0.00 0.51 0.00 0.00 43.02 42.67 1seq s PHE 117 CO 0.05 -0.23 1.09 -2.14 0.70 0.00 0.00 175.22 174.69 1seq s PRO 118 N 0.94 2.54 0.46 0.24 0.02 -1.26 -1.82 135.00 136.12 1seq s PRO 118 Ca -0.10 0.67 -0.24 0.00 0.02 0.00 0.00 61.00 61.34 1seq s PRO 118 Cb -0.14 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 1seq s PRO 118 CO 0.00 -1.31 1.25 -2.30 -0.33 0.00 0.00 177.00 174.32 1seq n PRO 119 N -3.22 1.79 -2.53 5.54 -0.02 -1.20 -4.83 135.00 130.53 1seq n PRO 119 Ca 0.07 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 1seq n PRO 119 Cb 0.56 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1seq n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1seq s SER 120 N -0.66 6.43 0.42 2.55 1.04 -1.26 -4.91 113.70 117.31 1seq s SER 120 Ca 0.64 1.82 0.11 0.00 0.48 0.00 0.00 55.95 59.01 1seq s SER 120 Cb -0.49 -2.55 0.97 0.00 0.10 0.00 0.00 66.02 64.05 1seq s SER 120 CO 0.56 -0.72 2.01 0.77 0.98 0.00 0.00 173.24 176.84 1seq h SER 121 N 1.43 0.41 -0.45 7.02 4.64 -2.00 -1.42 113.55 123.18 1seq h SER 121 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1seq h SER 121 Cb 1.21 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1seq h SER 121 CO 0.59 0.27 0.25 -0.33 -0.87 0.00 0.00 176.83 176.74 1seq h GLU 122 N 0.46 0.63 -0.57 4.77 5.08 -2.00 -2.18 114.58 120.78 1seq h GLU 122 Ca 0.23 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1seq h GLU 122 Cb 0.32 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1seq h GLU 122 CO -0.06 0.49 0.00 0.37 -1.00 0.00 0.00 179.01 178.81 1seq h GLN 123 N 0.59 1.01 -0.85 2.33 4.15 -1.60 -2.82 115.11 117.92 1seq h GLN 123 Ca 0.16 -0.32 0.09 0.00 0.77 0.00 0.00 58.65 59.35 1seq h GLN 123 Cb 0.04 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.57 1seq h GLN 123 CO -0.03 1.00 0.51 -0.07 -1.93 0.00 0.00 178.83 178.31 1seq h LEU 124 N 0.89 0.75 -2.37 -2.39 3.38 -1.15 0.80 115.31 115.23 1seq h LEU 124 Ca 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1seq h LEU 124 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1seq h LEU 124 CO 0.03 0.44 -0.03 0.74 0.09 0.00 0.00 178.44 179.71 1seq h THR 125 N 0.87 0.51 -0.01 0.22 2.02 -1.14 0.50 112.91 115.88 1seq h THR 125 Ca 0.40 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1seq h THR 125 Cb 0.31 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1seq h THR 125 CO -0.22 0.03 -0.12 -1.54 0.37 0.00 0.00 175.52 174.03 1seq n SER 126 N -3.76 0.71 0.00 4.18 3.41 0.26 -4.91 113.62 113.51 1seq n SER 126 Ca -0.03 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1seq n SER 126 Cb 0.12 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1seq n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1seq n GLY 127 N 1.26 0.62 3.83 5.00 0.00 0.17 -5.07 105.19 110.99 1seq n GLY 127 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1seq n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1seq s GLY 128 N -1.26 2.23 -0.28 -0.02 0.00 -1.10 -2.31 107.32 104.57 1seq s GLY 128 Ca 0.00 -1.93 0.01 0.00 0.00 0.00 0.00 44.72 42.80 1seq s GLY 128 CO 0.00 -1.79 0.49 0.00 0.00 0.00 0.00 173.10 171.80 1seq s ALA 129 N -2.54 -1.72 -0.10 3.20 0.00 -0.99 -3.30 121.76 116.31 1seq s ALA 129 Ca 0.45 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 1seq s ALA 129 Cb -0.01 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1seq s ALA 129 CO 0.25 -1.56 -0.07 -1.12 0.00 0.00 0.00 175.76 173.26 1seq s SER 130 N 2.69 4.60 -0.13 0.00 0.01 -1.26 -0.67 113.70 118.94 1seq s SER 130 Ca 0.13 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 1seq s SER 130 Cb -0.13 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 1seq s SER 130 CO -0.24 0.29 -0.09 -0.69 0.41 0.00 0.00 173.24 172.92 1seq s VAL 131 N -0.38 3.39 0.01 3.43 1.01 0.03 -3.23 120.40 124.66 1seq s VAL 131 Ca 0.06 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1seq s VAL 131 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1seq s VAL 131 CO 0.02 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 1seq s VAL 132 N 0.26 2.65 -0.04 2.92 1.01 -0.76 -0.40 120.40 126.05 1seq s VAL 132 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1seq s VAL 132 Cb -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1seq s VAL 132 CO 0.04 0.45 -0.01 0.00 0.00 0.00 0.00 175.10 175.58 1seq s PHE 134 N 1.10 3.27 -0.42 0.00 0.08 -0.30 -0.76 117.98 120.96 1seq s PHE 134 Ca -0.08 0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.17 1seq s PHE 134 Cb -0.14 -1.94 0.11 0.00 -0.57 0.00 0.00 43.02 40.49 1seq s PHE 134 CO -0.01 0.37 0.14 -0.51 -0.10 0.00 0.00 175.22 175.11 1seq s LEU 135 N -0.35 4.65 -0.06 -0.37 1.02 0.03 -1.82 118.68 121.78 1seq s LEU 135 Ca 0.08 -2.48 -0.02 0.00 0.02 0.00 0.00 54.13 51.73 1seq s LEU 135 Cb -0.12 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 1seq s LEU 135 CO 0.02 -0.34 0.06 0.20 0.02 0.00 0.00 176.35 176.31 1seq s ASN 136 N 0.52 5.62 -1.00 2.29 0.01 -0.38 -0.61 114.94 121.39 1seq s ASN 136 Ca 0.13 0.21 -0.10 0.00 -0.71 0.00 0.00 52.86 52.39 1seq s ASN 136 Cb -0.22 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 1seq s ASN 136 CO -0.05 0.34 0.81 0.59 -1.51 0.00 0.00 177.10 177.29 1seq n ASN 137 N 1.73 -6.32 -4.59 -1.22 3.02 -0.80 -1.23 115.26 105.84 1seq n ASN 137 Ca -0.17 -0.71 -0.28 0.00 -0.03 0.00 0.00 54.58 53.39 1seq n ASN 137 Cb 0.54 -4.36 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 1seq n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1seq s PHE 138 N -3.31 2.17 -0.25 3.10 -0.71 0.07 -4.57 117.98 114.48 1seq s PHE 138 Ca 0.34 -0.86 -0.26 0.00 -1.04 0.00 0.00 56.93 55.12 1seq s PHE 138 Cb -0.08 -1.59 0.09 0.00 -1.21 0.00 0.00 43.02 40.22 1seq s PHE 138 CO 0.79 0.25 0.81 -0.47 -1.34 0.00 0.00 175.22 175.26 1seq s TYR 139 N -2.90 -0.68 1.10 3.49 5.04 -0.73 -0.91 117.35 121.76 1seq s TYR 139 Ca 0.25 1.60 -0.18 0.00 -2.44 0.00 0.00 57.07 56.30 1seq s TYR 139 Cb 0.07 0.31 0.26 0.00 0.35 0.00 0.00 41.96 42.96 1seq s TYR 139 CO 0.13 -0.36 1.17 -0.35 -1.34 0.00 0.00 175.55 174.79 1seq n PRO 140 N 2.32 -2.32 -0.28 4.97 -0.04 -1.26 -1.12 135.00 137.27 1seq n PRO 140 Ca -0.14 -1.83 -0.02 0.00 -0.04 0.00 0.00 63.50 61.47 1seq n PRO 140 Cb 0.56 -1.49 0.16 0.00 -0.04 0.00 0.00 33.50 32.69 1seq n PRO 140 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1seq h LYS 141 N 0.00 1.13 -6.33 0.54 3.64 -1.97 -3.40 116.57 110.18 1seq h LYS 141 Ca -0.41 -0.11 -0.56 0.00 -1.27 0.00 0.00 60.65 58.30 1seq h LYS 141 Cb 1.20 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 1seq h LYS 141 CO 0.28 0.81 1.20 -1.54 -2.27 0.00 0.00 179.45 177.92 1seq s SER 142 N -6.30 5.97 0.03 4.20 1.04 -1.26 -4.96 113.70 112.43 1seq s SER 142 Ca -0.12 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.19 1seq s SER 142 Cb 0.17 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 1seq s SER 142 CO 0.81 -1.72 -0.00 -0.51 0.98 0.00 0.00 173.24 172.80 1seq s ILE 143 N 6.63 0.15 -0.10 -1.02 2.07 -1.26 -4.90 121.20 122.76 1seq s ILE 143 Ca 0.69 -1.22 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 1seq s ILE 143 Cb -0.17 -0.78 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 1seq s ILE 143 CO 0.31 -0.67 -0.18 0.20 -1.91 0.00 0.00 174.94 172.69 1seq s ASN 144 N -2.04 3.65 -0.09 4.50 0.01 0.78 -4.98 114.94 116.77 1seq s ASN 144 Ca -0.07 -0.39 -0.00 0.00 -0.71 0.00 0.00 52.86 51.69 1seq s ASN 144 Cb -0.03 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 40.27 1seq s ASN 144 CO -0.04 0.20 -0.06 -0.55 -1.51 0.00 0.00 177.10 175.14 1seq s SER 145 N 0.11 4.73 -0.05 -1.22 0.15 -1.26 -0.48 113.70 115.69 1seq s SER 145 Ca -0.09 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.55 1seq s SER 145 Cb -0.15 -1.33 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 1seq s SER 145 CO 0.05 0.32 -0.08 -0.75 1.20 0.00 0.00 173.24 173.98 1seq s LYS 146 N -0.57 1.21 -0.13 5.44 2.20 0.35 -4.95 119.74 123.28 1seq s LYS 146 Ca 0.09 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.39 1seq s LYS 146 Cb -0.12 -1.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1seq s LYS 146 CO 0.02 -0.00 0.04 -1.58 -0.36 0.00 0.00 175.35 173.47 1seq s TRP 147 N 0.69 3.25 -0.06 4.03 0.52 -1.26 -0.18 118.94 125.94 1seq s TRP 147 Ca -0.12 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.18 1seq s TRP 147 Cb -0.14 -1.93 0.01 0.00 -1.15 0.00 0.00 33.47 30.25 1seq s TRP 147 CO 0.02 0.35 -0.12 0.15 0.02 0.00 0.00 176.95 177.37 1seq s LYS 148 N -0.33 1.58 -0.18 4.98 1.02 0.01 -0.05 119.74 126.76 1seq s LYS 148 Ca 0.08 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 1seq s LYS 148 Cb -0.12 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 1seq s LYS 148 CO 0.02 0.07 -0.13 0.42 -0.92 0.00 0.00 175.35 174.81 1seq s ILE 149 N 0.51 2.74 -1.41 2.17 1.01 0.41 -0.84 121.20 125.80 1seq s ILE 149 Ca -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1seq s ILE 149 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1seq s ILE 149 CO 0.03 0.49 0.51 0.47 0.00 0.00 0.00 174.94 176.44 1seq n ASP 150 N 4.46 -0.80 0.00 3.58 8.00 0.47 -1.48 116.55 130.77 1seq n ASP 150 Ca -0.19 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1seq n ASP 150 Cb 0.51 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1seq n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1seq n GLY 151 N -1.87 0.64 3.30 0.44 0.00 -1.26 -5.00 105.19 101.44 1seq n GLY 151 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1seq n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1seq s SER 152 N -2.62 3.24 0.34 1.61 0.01 -0.55 -5.04 113.70 110.68 1seq s SER 152 Ca 0.00 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.51 1seq s SER 152 Cb 0.00 -0.85 -0.11 0.00 0.21 0.00 0.00 66.02 65.26 1seq s SER 152 CO 0.00 0.26 1.50 1.21 0.41 0.00 0.00 173.24 176.62 1seq n GLU 153 N 2.87 2.60 -4.25 12.44 2.13 -1.26 -0.44 120.64 134.74 1seq n GLU 153 Ca -0.17 0.92 -0.33 0.00 0.66 0.00 0.00 57.16 58.23 1seq n GLU 153 Cb 0.52 -2.65 -0.16 0.00 0.27 0.00 0.00 31.44 29.42 1seq n GLU 153 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1seq s ARG 154 N -1.48 3.01 -0.21 5.31 6.06 0.93 -4.84 118.95 127.73 1seq s ARG 154 Ca 0.58 -0.83 0.04 0.00 -2.50 0.00 0.00 55.73 53.02 1seq s ARG 154 Cb -0.50 -2.55 -0.16 0.00 0.06 0.00 0.00 34.95 31.80 1seq s ARG 154 CO 0.58 -0.16 -0.14 1.04 -2.50 0.00 0.00 175.30 174.11 1seq n GLN 155 N 4.49 0.68 -2.62 5.12 6.02 -1.26 -4.29 117.38 125.52 1seq n GLN 155 Ca -0.21 0.10 -0.33 0.00 -0.01 0.00 0.00 57.00 56.55 1seq n GLN 155 Cb 0.50 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 1seq n GLN 155 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1seq s ASN 156 N -5.93 6.67 0.00 1.08 2.20 -1.26 -3.97 114.94 113.73 1seq s ASN 156 Ca -0.25 1.72 0.00 0.00 -0.94 0.00 0.00 52.86 53.39 1seq s ASN 156 Cb 0.07 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 1seq s ASN 156 CO 0.55 -0.55 0.00 0.61 -2.94 0.00 0.00 177.10 174.76 1seq n GLY 157 N -0.78 0.46 3.62 0.45 0.00 -1.26 -4.81 105.19 102.86 1seq n GLY 157 Ca 0.07 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1seq n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1seq s VAL 158 N -2.00 4.97 -0.20 1.61 1.01 -1.25 -0.75 120.40 123.79 1seq s VAL 158 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1seq s VAL 158 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1seq s VAL 158 CO 0.00 0.39 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 1seq s LEU 159 N 0.85 2.62 -0.08 3.92 1.43 -0.19 -4.95 118.68 122.28 1seq s LEU 159 Ca 0.05 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1seq s LEU 159 Cb -0.13 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1seq s LEU 159 CO 0.03 0.01 -0.20 0.20 0.23 0.00 0.00 176.35 176.61 1seq s ASN 160 N 1.28 3.46 -0.04 2.29 0.02 -1.26 -0.90 114.94 119.80 1seq s ASN 160 Ca 0.03 -0.42 -0.00 0.00 -1.02 0.00 0.00 52.86 51.46 1seq s ASN 160 Cb -0.14 -1.09 0.03 0.00 0.02 0.00 0.00 41.25 40.06 1seq s ASN 160 CO -0.05 0.23 0.00 -0.55 0.02 0.00 0.00 177.10 176.76 1seq s SER 161 N -0.08 0.68 0.02 -1.22 0.15 -0.51 -4.98 113.70 107.75 1seq s SER 161 Ca -0.05 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 1seq s SER 161 Cb -0.14 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1seq s SER 161 CO 0.04 -0.13 0.18 0.26 1.20 0.00 0.00 173.24 174.80 1seq s TRP 162 N 1.26 3.50 0.63 3.44 0.51 -1.26 -0.96 118.94 126.05 1seq s TRP 162 Ca -0.06 0.29 -0.04 0.00 -2.12 0.00 0.00 56.10 54.17 1seq s TRP 162 Cb -0.13 -1.78 0.04 0.00 -0.81 0.00 0.00 33.47 30.79 1seq s TRP 162 CO -0.02 0.61 0.91 0.95 -0.51 0.00 0.00 176.95 178.89 1seq s THR 163 N -1.39 2.66 0.74 2.01 -4.23 -0.02 -4.99 115.64 110.43 1seq s THR 163 Ca 0.30 -0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 1seq s THR 163 Cb -0.13 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1seq s THR 163 CO 0.22 -0.08 1.08 -1.81 -0.54 0.00 0.00 174.62 173.49 1seq s ASP 164 N -4.45 4.97 0.35 3.99 1.01 -1.26 -4.65 116.67 116.64 1seq s ASP 164 Ca 0.58 1.46 -0.29 0.00 0.71 0.00 0.00 52.55 55.01 1seq s ASP 164 Cb -0.11 -2.27 -0.11 0.00 1.01 0.00 0.00 42.92 41.44 1seq s ASP 164 CO 0.42 -1.68 1.51 1.67 0.21 0.00 0.00 175.17 177.30 1seq n GLN 165 N -3.27 2.66 -2.34 8.23 7.27 -1.26 -4.77 117.38 123.90 1seq n GLN 165 Ca 0.07 0.94 -0.42 0.00 0.07 0.00 0.00 57.00 57.66 1seq n GLN 165 Cb 0.55 -2.68 -0.03 0.00 2.41 0.00 0.00 30.24 30.49 1seq n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1seq s ASP 166 N 0.04 7.02 0.58 1.69 -1.08 0.04 -4.93 116.67 120.02 1seq s ASP 166 Ca 0.56 2.17 0.36 0.00 -0.52 0.00 0.00 52.55 55.12 1seq s ASP 166 Cb -0.48 -2.59 1.69 0.00 -1.46 0.00 0.00 42.92 40.08 1seq s ASP 166 CO 0.60 -0.48 2.11 0.28 0.52 0.00 0.00 175.17 178.20 1seq h SER 167 N 6.25 0.00 0.00 -0.34 0.02 -1.91 -1.30 113.55 116.27 1seq h SER 167 Ca -0.43 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.16 1seq h SER 167 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1seq h SER 167 CO 0.80 0.03 -2.14 0.29 -1.14 0.00 0.00 176.83 174.67 1seq n LYS 168 N -3.20 0.57 -0.15 3.45 5.02 -1.26 -2.91 118.16 119.68 1seq n LYS 168 Ca -0.01 0.28 0.07 0.00 -2.02 0.00 0.00 58.31 56.63 1seq n LYS 168 Cb 0.23 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 1seq n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1seq n ASP 169 N -4.31 2.87 -1.69 4.39 5.68 -1.25 -4.94 116.55 117.29 1seq n ASP 169 Ca -0.45 -1.86 -0.18 0.00 -0.50 0.00 0.00 54.79 51.80 1seq n ASP 169 Cb 0.80 -0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 40.51 1seq n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1seq n SER 170 N 0.83 -4.83 -4.87 -1.12 7.64 -0.49 -4.97 113.62 105.81 1seq n SER 170 Ca 0.13 0.37 -0.21 0.00 1.01 0.00 0.00 58.87 60.17 1seq n SER 170 Cb 0.44 -4.28 0.08 0.00 -1.01 0.00 0.00 64.21 59.44 1seq n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1seq s THR 171 N -2.60 2.23 0.24 0.44 -4.23 -1.26 -4.66 115.64 105.81 1seq s THR 171 Ca 0.00 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1seq s THR 171 Cb 0.00 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1seq s THR 171 CO 0.00 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.67 1seq s TYR 172 N -2.86 1.83 0.03 3.99 2.02 -0.09 -0.78 117.35 121.49 1seq s TYR 172 Ca 0.63 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1seq s TYR 172 Cb -0.06 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1seq s TYR 172 CO 0.41 0.31 -0.04 -1.12 -1.57 0.00 0.00 175.55 173.54 1seq s SER 173 N -3.38 0.42 0.00 2.29 0.01 -1.26 -0.75 113.70 111.03 1seq s SER 173 Ca 0.26 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 1seq s SER 173 Cb 0.02 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.35 1seq s SER 173 CO 0.10 -0.34 0.10 -0.32 0.41 0.00 0.00 173.24 173.19 1seq s MET 174 N -1.95 0.41 -0.11 12.44 1.75 0.22 -0.84 119.30 131.23 1seq s MET 174 Ca -0.10 -0.37 0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1seq s MET 174 Cb -0.07 0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.76 1seq s MET 174 CO -0.02 -0.09 -0.18 0.45 -0.65 0.00 0.00 175.02 174.53 1seq s SER 175 N -1.23 3.61 -0.15 1.11 0.15 -0.13 -0.79 113.70 116.27 1seq s SER 175 Ca -0.13 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.12 1seq s SER 175 Cb -0.07 -1.43 0.01 0.00 -1.71 0.00 0.00 66.02 62.83 1seq s SER 175 CO 0.01 0.18 -0.21 -0.55 1.20 0.00 0.00 173.24 173.87 1seq s SER 176 N 0.23 3.10 -0.19 5.45 0.15 0.06 -1.43 113.70 121.07 1seq s SER 176 Ca -0.12 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 55.91 1seq s SER 176 Cb -0.16 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 62.71 1seq s SER 176 CO 0.06 0.05 -0.15 -0.89 1.20 0.00 0.00 173.24 173.51 1seq s THR 177 N 1.00 2.52 -0.28 6.45 2.01 -0.08 -0.84 115.64 126.41 1seq s THR 177 Ca -0.03 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.04 1seq s THR 177 Cb -0.15 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1seq s THR 177 CO -0.06 0.50 0.35 -0.22 -0.69 0.00 0.00 174.62 174.50 1seq s LEU 178 N 1.30 4.08 -0.25 4.42 2.96 0.47 -1.03 118.68 130.63 1seq s LEU 178 Ca 0.04 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1seq s LEU 178 Cb -0.14 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1seq s LEU 178 CO -0.09 -0.19 0.08 0.42 -1.32 0.00 0.00 176.35 175.26 1seq s THR 179 N 2.03 4.43 0.39 3.68 -4.23 0.07 -0.79 115.64 121.23 1seq s THR 179 Ca 0.14 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1seq s THR 179 Cb -0.16 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 1seq s THR 179 CO 0.10 0.33 0.06 -0.76 -0.54 0.00 0.00 174.62 173.81 1seq s LEU 180 N 1.59 2.28 0.41 4.79 1.43 0.15 -4.77 118.68 124.57 1seq s LEU 180 Ca 0.06 -1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 51.67 1seq s LEU 180 Cb -0.15 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1seq s LEU 180 CO 0.04 -0.69 0.64 0.42 0.23 0.00 0.00 176.35 176.99 1seq s THR 181 N -3.10 4.63 0.20 5.49 -4.23 -1.26 -2.36 115.64 115.01 1seq s THR 181 Ca 0.28 -0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 1seq s THR 181 Cb 0.06 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.33 1seq s THR 181 CO 0.14 -0.52 1.86 0.50 -0.54 0.00 0.00 174.62 176.06 1seq h LYS 182 N 0.51 0.89 -0.56 3.99 3.64 -1.66 -1.28 116.57 122.10 1seq h LYS 182 Ca -0.48 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1seq h LYS 182 Cb 1.23 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1seq h LYS 182 CO 0.60 0.59 0.20 -0.91 -2.27 0.00 0.00 179.45 177.65 1seq h ASN 183 N 0.92 0.80 -0.02 4.20 2.35 -1.95 -0.90 115.58 120.98 1seq h ASN 183 Ca 0.27 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1seq h ASN 183 Cb -0.06 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1seq h ASN 183 CO -0.08 0.78 -0.13 -0.08 -1.65 0.00 0.00 177.43 176.27 1seq h GLU 184 N 0.78 -0.20 -0.60 0.81 4.81 -1.88 -1.83 114.58 116.47 1seq h GLU 184 Ca 0.18 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1seq h GLU 184 Cb 0.25 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1seq h GLU 184 CO -0.01 -0.13 0.31 -0.92 -0.73 0.00 0.00 179.01 177.52 1seq h TYR 185 N -0.21 0.56 0.00 0.92 3.20 -0.98 -1.40 116.97 119.06 1seq h TYR 185 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1seq h TYR 185 Cb 0.27 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1seq h TYR 185 CO -0.20 0.25 0.00 0.39 -1.64 0.00 0.00 178.16 176.97 1seq n GLU 186 N -4.85 0.05 0.00 1.82 -0.58 -0.37 -2.49 120.64 114.22 1seq n GLU 186 Ca 0.07 0.20 0.13 0.00 -0.42 0.00 0.00 57.16 57.14 1seq n GLU 186 Cb 0.18 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 29.93 1seq n GLU 186 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1seq n ARG 187 N -1.45 0.45 -4.20 3.49 0.63 -0.53 -4.91 116.66 110.14 1seq n ARG 187 Ca 0.05 -0.24 -0.12 0.00 -0.92 0.00 0.00 57.85 56.62 1seq n ARG 187 Cb 0.18 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.49 1seq n ARG 187 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1seq s HIS 188 N -2.71 1.03 -0.07 -0.14 3.76 -1.04 -5.10 115.29 111.01 1seq s HIS 188 Ca 0.19 -0.91 -0.01 0.00 -0.15 0.00 0.00 55.06 54.18 1seq s HIS 188 Cb 0.19 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1seq s HIS 188 CO 0.58 -0.12 -0.07 -1.71 -0.85 0.00 0.00 174.74 172.57 1seq n ASN 189 N -0.11 2.32 -4.68 1.40 5.15 -1.26 -4.74 115.26 113.33 1seq n ASN 189 Ca -0.11 0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.49 1seq n ASN 189 Cb 0.61 -0.14 -0.05 0.00 -0.53 0.00 0.00 39.78 39.67 1seq n ASN 189 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1seq s SER 190 N -5.02 6.79 -0.09 1.20 0.15 -1.26 0.01 113.70 115.48 1seq s SER 190 Ca -0.09 0.96 0.02 0.00 0.70 0.00 0.00 55.95 57.54 1seq s SER 190 Cb 0.03 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1seq s SER 190 CO 0.14 -0.23 -0.13 -0.31 1.20 0.00 0.00 173.24 173.91 1seq s TYR 191 N 1.58 1.74 0.01 3.44 1.51 -0.35 -0.40 117.35 124.87 1seq s TYR 191 Ca 0.32 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1seq s TYR 191 Cb -0.16 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1seq s TYR 191 CO 0.12 -0.40 -0.04 0.99 -1.11 0.00 0.00 175.55 175.11 1seq s THR 192 N 0.93 0.26 -0.06 -0.71 2.01 -0.02 -1.52 115.64 116.53 1seq s THR 192 Ca -0.09 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1seq s THR 192 Cb -0.15 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1seq s THR 192 CO 0.00 -0.18 -0.10 0.00 -0.69 0.00 0.00 174.62 173.65 1seq s GLU 194 N 0.80 3.15 -0.26 0.00 2.12 0.75 -2.27 118.70 122.98 1seq s GLU 194 Ca -0.12 -0.68 -0.06 0.00 0.36 0.00 0.00 54.97 54.47 1seq s GLU 194 Cb -0.15 -2.57 -0.00 0.00 0.26 0.00 0.00 34.13 31.66 1seq s GLU 194 CO 0.02 0.34 0.03 0.00 -0.54 0.00 0.00 175.26 175.11 1seq s ALA 195 N 0.03 2.99 0.12 6.30 0.00 -0.14 -0.50 121.76 130.56 1seq s ALA 195 Ca -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1seq s ALA 195 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1seq s ALA 195 CO 0.04 -0.69 -0.09 0.95 0.00 0.00 0.00 175.76 175.97 1seq s THR 196 N 1.50 0.95 0.12 0.00 -4.23 0.37 -1.69 115.64 112.65 1seq s THR 196 Ca 0.04 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1seq s THR 196 Cb -0.16 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1seq s THR 196 CO 0.01 -0.73 0.00 1.57 -0.54 0.00 0.00 174.62 174.93 1seq n HIS 197 N 0.09 -1.62 -2.29 3.99 -0.00 -1.26 -0.15 115.22 113.98 1seq n HIS 197 Ca -0.13 0.28 0.01 0.00 0.46 0.00 0.00 57.72 58.34 1seq n HIS 197 Cb 0.60 0.90 -0.01 0.00 -0.12 0.00 0.00 29.99 31.37 1seq n HIS 197 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1seq n LYS 198 N -2.82 0.00 0.00 1.57 4.76 -1.26 -4.98 118.16 115.43 1seq n LYS 198 Ca 0.00 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 53.90 1seq n LYS 198 Cb 0.00 0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1seq n LYS 198 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1seq n SER 202 N 0.29 0.00 -4.85 4.39 3.41 -1.26 -5.18 113.62 110.43 1seq n SER 202 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.29 1seq n SER 202 Cb 0.95 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 65.01 1seq n SER 202 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1seq s PRO 203 N 0.00 1.72 -0.21 4.33 0.04 -1.26 -4.98 135.00 134.64 1seq s PRO 203 Ca 0.00 0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.23 1seq s PRO 203 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1seq s PRO 203 CO 0.00 -1.79 -0.01 0.42 0.04 0.00 0.00 177.00 175.66 1seq s ILE 204 N -3.42 3.74 -0.05 0.56 -1.09 -0.68 -4.94 121.20 115.32 1seq s ILE 204 Ca 0.62 -0.38 0.05 0.00 -2.23 0.00 0.00 60.65 58.72 1seq s ILE 204 Cb -0.13 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 1seq s ILE 204 CO 0.51 0.42 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.75 1seq s VAL 205 N 1.24 1.69 0.03 2.92 1.01 -1.26 -0.97 120.40 125.06 1seq s VAL 205 Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1seq s VAL 205 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1seq s VAL 205 CO 0.00 0.48 -0.12 -0.54 0.00 0.00 0.00 175.10 174.92 1seq s LYS 206 N -0.03 0.83 0.26 2.72 -0.14 -0.96 -5.02 119.74 117.39 1seq s LYS 206 Ca -0.04 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 53.72 1seq s LYS 206 Cb -0.13 -0.80 0.01 0.00 -1.68 0.00 0.00 37.83 35.23 1seq s LYS 206 CO 0.03 0.20 0.59 -1.54 -0.76 0.00 0.00 175.35 173.86 1seq s SER 207 N -1.06 -0.18 0.13 2.83 1.04 -1.26 -1.66 113.70 113.54 1seq s SER 207 Ca 0.00 -0.76 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 1seq s SER 207 Cb -0.07 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1seq s SER 207 CO 0.01 -1.22 0.42 0.72 0.98 0.00 0.00 173.24 174.15 1seq s PHE 208 N -3.97 -0.24 -0.16 5.02 -0.71 -0.57 -5.01 117.98 112.35 1seq s PHE 208 Ca 0.17 -0.06 -0.03 0.00 -1.04 0.00 0.00 56.93 55.97 1seq s PHE 208 Cb -0.03 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 1seq s PHE 208 CO 0.07 -0.71 -0.06 -0.80 -1.34 0.00 0.00 175.22 172.38 1seq s ASN 209 N -2.78 4.55 0.36 1.98 -0.87 -1.26 -1.22 114.94 115.71 1seq s ASN 209 Ca 0.03 -0.20 0.09 0.00 -1.57 0.00 0.00 52.86 51.20 1seq s ASN 209 Cb 0.02 -1.74 0.82 0.00 -0.02 0.00 0.00 41.25 40.33 1seq s ASN 209 CO -0.12 0.15 1.88 -0.09 -2.57 0.00 0.00 177.10 176.35 1seq h ARG 210 N 6.84 0.67 -0.02 -0.60 2.43 -0.71 -3.49 114.38 119.50 1seq h ARG 210 Ca -0.31 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1seq h ARG 210 Cb 1.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1seq h ARG 210 CO 0.61 0.44 0.00 -1.13 -1.51 0.00 0.00 179.97 178.38