#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za3 s VAL 2 N 0.00 3.73 0.02 2.62 1.01 -1.26 -3.83 120.40 122.68 1za3 s VAL 2 Ca 0.00 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.31 1za3 s VAL 2 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1za3 s VAL 2 CO 0.00 0.24 0.30 0.00 0.00 0.00 0.00 175.10 175.64 1za3 s GLN 3 N -0.30 0.73 -0.25 2.72 -2.07 -0.71 -4.96 119.66 114.82 1za3 s GLN 3 Ca 0.51 -0.36 0.02 0.00 -1.82 0.00 0.00 55.36 53.70 1za3 s GLN 3 Cb -0.31 0.32 0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1za3 s GLN 3 CO 0.36 -0.22 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.50 1za3 s LEU 4 N -1.70 3.31 -0.45 2.60 1.02 -1.26 -1.62 118.68 120.56 1za3 s LEU 4 Ca -0.09 -1.22 -0.10 0.00 0.02 0.00 0.00 54.13 52.74 1za3 s LEU 4 Cb -0.03 -1.58 0.10 0.00 0.02 0.00 0.00 46.19 44.71 1za3 s LEU 4 CO 0.00 -0.17 0.32 -0.69 0.02 0.00 0.00 176.35 175.84 1za3 s VAL 5 N 1.17 4.31 0.47 -1.59 1.01 -1.03 -3.87 120.40 120.87 1za3 s VAL 5 Ca -0.06 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1za3 s VAL 5 Cb -0.19 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1za3 s VAL 5 CO -0.05 -0.67 0.69 -1.83 0.00 0.00 0.00 175.10 173.24 1za3 s GLU 6 N 1.41 2.99 0.05 2.72 -1.05 -1.26 -2.31 118.70 121.24 1za3 s GLU 6 Ca 0.04 -0.52 -0.27 0.00 -0.15 0.00 0.00 54.97 54.08 1za3 s GLU 6 Cb -0.25 -2.54 0.09 0.00 -0.44 0.00 0.00 34.13 30.99 1za3 s GLU 6 CO 0.01 -0.35 0.88 -1.54 0.95 0.00 0.00 175.26 175.21 1za3 s SER 7 N -4.25 -0.33 0.00 0.83 1.04 0.65 -4.80 113.70 106.84 1za3 s SER 7 Ca 0.50 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1za3 s SER 7 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1za3 s SER 7 CO 0.38 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1za3 n GLY 8 N -0.31 1.33 3.67 7.32 0.00 -1.26 0.37 105.19 116.30 1za3 n GLY 8 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1za3 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1za3 s GLY 9 N -2.10 1.67 0.00 -0.02 0.00 -1.26 -4.63 107.32 100.98 1za3 s GLY 9 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1za3 s GLY 9 CO 0.00 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.64 1za3 n GLY 10 N 0.08 -1.38 3.74 0.20 0.00 -0.27 -4.92 105.19 102.64 1za3 n GLY 10 Ca 0.11 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1za3 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1za3 s LEU 11 N 0.00 4.46 0.01 0.99 1.98 -1.26 -1.92 118.68 122.94 1za3 s LEU 11 Ca 0.00 1.50 -0.01 0.00 -2.89 0.00 0.00 54.13 52.73 1za3 s LEU 11 Cb 0.00 -3.29 -0.01 0.00 0.66 0.00 0.00 46.19 43.55 1za3 s LEU 11 CO 0.00 0.00 0.01 0.68 -1.89 0.00 0.00 176.35 175.15 1za3 s VAL 12 N -0.05 0.09 0.31 1.68 -7.23 -0.98 -4.99 120.40 109.24 1za3 s VAL 12 Ca 0.40 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 1za3 s VAL 12 Cb -0.21 -0.25 -0.10 0.00 0.56 0.00 0.00 36.38 36.38 1za3 s VAL 12 CO 0.24 -0.40 1.16 -1.10 -0.31 0.00 0.00 175.10 174.69 1za3 s GLN 13 N -1.21 4.47 0.32 4.82 -1.52 -1.26 -2.29 119.66 122.98 1za3 s GLN 13 Ca -0.13 1.91 -0.26 0.00 -1.95 0.00 0.00 55.36 54.93 1za3 s GLN 13 Cb -0.08 -3.06 -0.14 0.00 -0.22 0.00 0.00 33.01 29.51 1za3 s GLN 13 CO -0.00 0.02 0.69 -2.30 -0.25 0.00 0.00 175.29 173.45 1za3 n PRO 14 N 0.88 0.70 -2.04 2.91 -0.02 -1.26 -2.13 135.00 134.03 1za3 n PRO 14 Ca 0.00 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1za3 n PRO 14 Cb 0.44 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.42 1za3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1za3 n GLY 15 N 1.65 0.17 3.28 -1.23 0.00 0.92 -4.89 105.19 105.09 1za3 n GLY 15 Ca 0.12 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1za3 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1za3 s GLY 16 N -2.72 1.20 0.72 -0.02 0.00 -0.91 -4.38 107.32 101.22 1za3 s GLY 16 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1za3 s GLY 16 CO 0.00 -0.99 1.07 -1.35 0.00 0.00 0.00 173.10 171.83 1za3 s SER 17 N -1.02 5.12 -0.30 1.64 1.04 -1.26 -2.89 113.70 116.03 1za3 s SER 17 Ca 0.09 1.56 -0.17 0.00 0.48 0.00 0.00 55.95 57.91 1za3 s SER 17 Cb -0.09 -2.39 0.18 0.00 0.10 0.00 0.00 66.02 63.81 1za3 s SER 17 CO 0.01 -1.60 1.11 -0.22 0.98 0.00 0.00 173.24 173.52 1za3 s LEU 18 N -5.62 -0.36 -0.13 2.42 1.98 0.12 -4.96 118.68 112.13 1za3 s LEU 18 Ca 0.59 0.50 -0.07 0.00 -2.89 0.00 0.00 54.13 52.27 1za3 s LEU 18 Cb -0.14 1.43 -0.04 0.00 0.66 0.00 0.00 46.19 48.09 1za3 s LEU 18 CO 0.55 -0.07 0.11 -0.60 -1.89 0.00 0.00 176.35 174.44 1za3 s ARG 19 N 2.06 3.53 0.12 1.98 3.52 -1.26 -0.82 118.95 128.08 1za3 s ARG 19 Ca -0.03 -0.21 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1za3 s ARG 19 Cb -0.04 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1za3 s ARG 19 CO -0.16 0.64 0.02 -0.51 -0.81 0.00 0.00 175.30 174.49 1za3 s LEU 20 N -0.66 3.49 -0.04 -0.88 1.02 -0.64 -4.51 118.68 116.47 1za3 s LEU 20 Ca 0.12 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.06 1za3 s LEU 20 Cb -0.12 -2.18 0.03 0.00 0.02 0.00 0.00 46.19 43.94 1za3 s LEU 20 CO 0.02 0.14 -0.01 -0.55 0.02 0.00 0.00 176.35 175.97 1za3 s SER 21 N -2.59 0.80 -0.38 2.29 0.15 0.16 -2.01 113.70 112.12 1za3 s SER 21 Ca 0.27 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.87 1za3 s SER 21 Cb -0.11 -0.33 0.11 0.00 -1.71 0.00 0.00 66.02 63.99 1za3 s SER 21 CO 0.19 -0.10 0.15 0.00 1.20 0.00 0.00 173.24 174.68 1za3 s ALA 23 N 0.83 3.50 -0.16 0.00 0.00 -0.98 -0.98 121.76 123.98 1za3 s ALA 23 Ca 0.13 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 1za3 s ALA 23 Cb -0.21 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1za3 s ALA 23 CO -0.10 -1.64 0.51 0.00 0.00 0.00 0.00 175.76 174.53 1za3 s ALA 24 N 1.79 3.51 0.31 0.00 0.00 -1.01 -2.46 121.76 123.89 1za3 s ALA 24 Ca 0.06 -0.29 0.11 0.00 0.00 0.00 0.00 51.96 51.84 1za3 s ALA 24 Cb -0.21 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1za3 s ALA 24 CO 0.09 -0.25 -0.14 -1.54 0.00 0.00 0.00 175.76 173.92 1za3 s SER 25 N 0.93 3.74 0.00 0.00 1.04 -0.64 -4.75 113.70 114.01 1za3 s SER 25 Ca 0.25 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1za3 s SER 25 Cb -0.15 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.60 1za3 s SER 25 CO 0.10 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1za3 n GLY 26 N -0.72 2.95 2.18 7.32 0.00 -1.25 -1.74 105.19 113.93 1za3 n GLY 26 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1za3 n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1za3 n PHE 27 N -0.77 -1.28 -3.94 1.61 -1.74 -1.26 -4.69 117.46 105.38 1za3 n PHE 27 Ca 0.00 -1.40 -0.32 0.00 -0.56 0.00 0.00 57.45 55.17 1za3 n PHE 27 Cb 0.00 0.41 -0.14 0.00 1.52 0.00 0.00 39.48 41.27 1za3 n PHE 27 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1za3 s SER 28 N -2.35 4.84 0.17 5.98 1.04 -1.26 -4.99 113.70 117.13 1za3 s SER 28 Ca 0.16 -2.28 0.13 0.00 0.48 0.00 0.00 55.95 54.44 1za3 s SER 28 Cb -0.01 -1.69 0.55 0.00 0.10 0.00 0.00 66.02 64.97 1za3 s SER 28 CO 0.12 -0.40 0.56 -0.38 0.98 0.00 0.00 173.24 174.12 1za3 n ILE 29 N 4.13 -0.07 0.05 -1.02 5.41 -1.26 -3.08 119.36 123.52 1za3 n ILE 29 Ca 0.03 0.62 -0.12 0.00 1.00 0.00 0.00 62.75 64.28 1za3 n ILE 29 Cb 0.40 -1.01 -0.05 0.00 -0.71 0.00 0.00 39.64 38.27 1za3 n ILE 29 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1za3 h TYR 30 N 0.00 -0.87 0.00 1.39 3.20 -1.94 -2.36 116.97 116.39 1za3 h TYR 30 Ca 0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1za3 h TYR 30 Cb 1.09 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.74 1za3 h TYR 30 CO -0.00 -0.41 0.00 -1.13 -1.64 0.00 0.00 178.16 174.98 1za3 n SER 31 N -5.41 0.00 -3.27 -2.11 3.41 -1.18 -1.88 113.62 103.18 1za3 n SER 31 Ca -0.05 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.76 1za3 n SER 31 Cb 0.32 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1za3 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1za3 n TYR 32 N -1.43 -1.33 -4.77 7.33 4.01 -0.89 -2.74 117.16 117.35 1za3 n TYR 32 Ca 0.08 -1.03 -0.25 0.00 -0.16 0.00 0.00 57.90 56.55 1za3 n TYR 32 Cb 0.28 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.95 1za3 n TYR 32 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1za3 s SER 33 N -2.46 2.03 -0.25 7.72 0.01 -1.10 -4.05 113.70 115.61 1za3 s SER 33 Ca 0.16 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 1za3 s SER 33 Cb -0.01 -0.61 0.01 0.00 0.21 0.00 0.00 66.02 65.62 1za3 s SER 33 CO 0.10 0.13 -0.02 -0.63 0.41 0.00 0.00 173.24 173.23 1za3 s ILE 34 N 0.12 3.33 -0.04 1.44 1.09 0.18 -0.41 121.20 126.91 1za3 s ILE 34 Ca -0.05 -0.72 -0.03 0.00 -1.10 0.00 0.00 60.65 58.75 1za3 s ILE 34 Cb -0.12 -2.62 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 1za3 s ILE 34 CO 0.02 0.27 0.11 -1.00 -0.10 0.00 0.00 174.94 174.25 1za3 s HIS 35 N 1.43 3.42 -0.12 3.97 3.76 -0.14 -2.02 115.29 125.59 1za3 s HIS 35 Ca 0.03 0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 55.22 1za3 s HIS 35 Cb -0.16 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1za3 s HIS 35 CO -0.02 0.61 0.07 -1.58 -0.85 0.00 0.00 174.74 172.97 1za3 s TRP 36 N -1.16 3.37 -0.11 1.40 0.52 0.31 -0.10 118.94 123.18 1za3 s TRP 36 Ca 0.21 0.32 -0.05 0.00 0.02 0.00 0.00 56.10 56.61 1za3 s TRP 36 Cb -0.12 -1.91 0.05 0.00 -1.15 0.00 0.00 33.47 30.34 1za3 s TRP 36 CO 0.12 0.54 0.24 0.08 0.02 0.00 0.00 176.95 177.94 1za3 s VAL 37 N -0.73 -0.11 0.30 4.03 1.01 0.65 -2.14 120.40 123.40 1za3 s VAL 37 Ca 0.12 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.38 1za3 s VAL 37 Cb -0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1za3 s VAL 37 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.20 1za3 s ARG 38 N 1.50 2.18 -0.32 2.72 1.70 -0.21 0.97 118.95 127.49 1za3 s ARG 38 Ca -0.07 -1.56 -0.00 0.00 -0.47 0.00 0.00 55.73 53.62 1za3 s ARG 38 Cb -0.11 -2.06 0.13 0.00 -0.57 0.00 0.00 34.95 32.35 1za3 s ARG 38 CO -0.08 0.26 0.27 -1.14 -1.08 0.00 0.00 175.30 173.53 1za3 s GLN 39 N -3.69 0.41 0.50 3.89 0.74 0.15 -0.93 119.66 120.73 1za3 s GLN 39 Ca 0.33 -0.54 -0.22 0.00 0.05 0.00 0.00 55.36 54.98 1za3 s GLN 39 Cb -0.04 -0.85 -0.08 0.00 1.10 0.00 0.00 33.01 33.14 1za3 s GLN 39 CO 0.20 -1.09 0.98 0.00 -0.55 0.00 0.00 175.29 174.83 1za3 n ALA 40 N 4.87 0.20 -1.79 1.58 0.00 -1.26 -2.44 120.51 121.68 1za3 n ALA 40 Ca 0.02 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 1za3 n ALA 40 Cb 0.44 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1za3 n ALA 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1za3 s PRO 41 N -2.33 3.57 0.00 0.00 0.04 -1.26 -1.91 135.00 133.11 1za3 s PRO 41 Ca 0.68 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1za3 s PRO 41 Cb -0.49 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1za3 s PRO 41 CO 0.53 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1za3 n GLY 42 N 5.15 0.73 3.40 0.56 0.00 -1.26 -5.08 105.19 108.68 1za3 n GLY 42 Ca 0.24 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1za3 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za3 s LYS 43 N -0.78 1.67 0.54 1.61 1.02 -0.81 -5.17 119.74 117.81 1za3 s LYS 43 Ca 0.00 -1.96 -0.09 0.00 0.02 0.00 0.00 55.97 53.94 1za3 s LYS 43 Cb 0.00 -0.36 0.13 0.00 -0.52 0.00 0.00 37.83 37.08 1za3 s LYS 43 CO 0.00 -0.40 0.57 0.41 -0.92 0.00 0.00 175.35 175.00 1za3 n GLY 44 N -0.67 -2.06 3.90 -3.33 0.00 -1.26 -4.67 105.19 97.11 1za3 n GLY 44 Ca -0.01 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1za3 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1za3 s LEU 45 N 0.00 4.24 -0.03 0.99 1.43 -1.26 -4.21 118.68 119.84 1za3 s LEU 45 Ca 0.35 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1za3 s LEU 45 Cb -0.02 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1za3 s LEU 45 CO 0.26 0.00 -0.00 -0.70 0.23 0.00 0.00 176.35 176.14 1za3 s GLU 46 N -2.90 0.34 0.23 1.70 2.12 -0.10 -5.00 118.70 115.08 1za3 s GLU 46 Ca 0.41 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 1za3 s GLU 46 Cb -0.12 -0.51 -0.09 0.00 0.26 0.00 0.00 34.13 33.68 1za3 s GLU 46 CO 0.26 -0.13 1.06 -0.46 -0.54 0.00 0.00 175.26 175.45 1za3 s TRP 47 N 1.02 3.67 -0.04 5.30 -0.00 -1.26 -1.05 118.94 126.59 1za3 s TRP 47 Ca -0.10 1.71 -0.03 0.00 -0.00 0.00 0.00 56.10 57.68 1za3 s TRP 47 Cb -0.14 -3.21 -0.02 0.00 -0.00 0.00 0.00 33.47 30.10 1za3 s TRP 47 CO -0.02 -0.35 -0.07 0.28 -0.00 0.00 0.00 176.95 176.79 1za3 n VAL 48 N 1.77 0.51 -3.67 5.86 0.31 -0.91 -4.68 118.33 117.52 1za3 n VAL 48 Ca 0.00 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1za3 n VAL 48 Cb 0.46 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1za3 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1za3 s ALA 49 N -2.12 -1.45 0.15 3.52 0.00 -1.14 -0.63 121.76 120.08 1za3 s ALA 49 Ca -0.08 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1za3 s ALA 49 Cb 0.03 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.98 1za3 s ALA 49 CO 0.10 -0.92 0.42 -1.54 0.00 0.00 0.00 175.76 173.82 1za3 s SER 50 N -2.83 -0.22 -0.22 0.00 1.04 0.21 -0.53 113.70 111.15 1za3 s SER 50 Ca 0.07 -0.40 -0.20 0.00 0.48 0.00 0.00 55.95 55.90 1za3 s SER 50 Cb -0.03 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.64 1za3 s SER 50 CO -0.02 -0.91 0.59 -0.51 0.98 0.00 0.00 173.24 173.38 1za3 s ILE 51 N -3.83 -0.00 -0.35 -1.02 2.07 -0.86 -1.97 121.20 115.24 1za3 s ILE 51 Ca 0.06 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1za3 s ILE 51 Cb 0.01 -0.83 0.11 0.00 0.13 0.00 0.00 42.46 41.88 1za3 s ILE 51 CO -0.09 0.00 0.14 -0.94 -1.91 0.00 0.00 174.94 172.14 1za3 s SER 52 N 0.44 3.98 0.34 4.50 1.04 -0.88 0.49 113.70 123.60 1za3 s SER 52 Ca -0.01 -1.99 0.08 0.00 0.48 0.00 0.00 55.95 54.51 1za3 s SER 52 Cb -0.04 -0.98 0.79 0.00 0.10 0.00 0.00 66.02 65.88 1za3 s SER 52 CO -0.01 -0.37 1.85 1.55 0.98 0.00 0.00 173.24 177.24 1za3 h PRO 52 N 7.63 0.70 -0.95 4.02 0.13 -1.73 0.00 132.00 141.81 1za3 h PRO 52 Ca -0.09 -0.04 0.27 0.00 -0.87 0.00 0.00 66.00 65.27 1za3 h PRO 52 Cb 0.99 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1za3 h PRO 52 CO 0.48 0.47 0.68 0.10 -0.23 0.00 0.00 178.00 179.49 1za3 h TYR 53 N 0.73 0.03 0.00 1.56 -0.00 -1.62 -2.48 116.97 115.18 1za3 h TYR 53 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.20 1za3 h TYR 53 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.46 1za3 h TYR 53 CO -0.00 0.01 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 1za3 n SER 54 N -4.27 0.68 0.00 0.10 3.41 -0.71 -5.02 113.62 107.82 1za3 n SER 54 Ca 0.20 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1za3 n SER 54 Cb 1.00 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 1za3 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1za3 n GLY 55 N 0.24 0.62 3.73 5.00 0.00 -0.10 -4.98 105.19 109.71 1za3 n GLY 55 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1za3 n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1za3 s TYR 56 N -2.82 3.67 0.22 1.61 5.04 -1.20 -4.89 117.35 118.98 1za3 s TYR 56 Ca 0.00 1.66 0.11 0.00 -2.44 0.00 0.00 57.07 56.39 1za3 s TYR 56 Cb 0.00 -3.20 -0.05 0.00 0.35 0.00 0.00 41.96 39.07 1za3 s TYR 56 CO 0.00 -0.32 -0.20 0.95 -1.34 0.00 0.00 175.55 174.64 1za3 s THR 57 N -0.01 2.22 -0.00 4.34 -4.23 -1.26 -2.08 115.64 114.61 1za3 s THR 57 Ca 0.49 -2.17 -0.17 0.00 -1.18 0.00 0.00 61.69 58.66 1za3 s THR 57 Cb -0.27 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1za3 s THR 57 CO 0.32 -0.32 0.37 -0.94 -0.54 0.00 0.00 174.62 173.51 1za3 s SER 58 N -3.06 -0.25 0.15 3.99 1.04 -0.83 -4.99 113.70 109.74 1za3 s SER 58 Ca 0.23 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.80 1za3 s SER 58 Cb -0.06 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1za3 s SER 58 CO 0.11 -0.52 -0.02 -0.31 0.98 0.00 0.00 173.24 173.48 1za3 s TYR 59 N -1.63 1.10 0.46 5.02 1.51 -1.26 -0.62 117.35 121.93 1za3 s TYR 59 Ca -0.11 -0.99 -0.16 0.00 -1.01 0.00 0.00 57.07 54.80 1za3 s TYR 59 Cb -0.03 -0.63 -0.08 0.00 -0.11 0.00 0.00 41.96 41.11 1za3 s TYR 59 CO 0.03 -0.20 0.91 0.00 -1.11 0.00 0.00 175.55 175.18 1za3 s ALA 60 N -3.66 3.14 0.24 3.71 0.00 0.20 -4.92 121.76 120.48 1za3 s ALA 60 Ca 0.20 0.13 0.20 0.00 0.00 0.00 0.00 51.96 52.49 1za3 s ALA 60 Cb 0.06 -3.01 0.85 0.00 0.00 0.00 0.00 23.12 21.02 1za3 s ALA 60 CO 0.01 -0.07 1.82 -0.44 0.00 0.00 0.00 175.76 177.08 1za3 h ASP 61 N 1.29 0.00 0.00 0.00 3.32 -1.94 -1.40 116.42 117.68 1za3 h ASP 61 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1za3 h ASP 61 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1za3 h ASP 61 CO 0.62 0.31 0.00 -1.54 -1.72 0.00 0.00 179.24 176.92 1za3 n SER 62 N -3.63 0.00 0.00 6.45 3.41 -1.26 -3.26 113.62 115.34 1za3 n SER 62 Ca -0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1za3 n SER 62 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1za3 n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1za3 n VAL 63 N -0.60 0.00 -1.54 -3.33 3.14 -0.94 -5.10 118.33 109.96 1za3 n VAL 63 Ca 0.03 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.98 1za3 n VAL 63 Cb 0.01 0.46 -0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1za3 n VAL 63 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1za3 n LYS 64 N 0.00 1.03 -0.75 1.45 5.02 -0.57 -2.26 118.16 122.08 1za3 n LYS 64 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1za3 n LYS 64 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1za3 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1za3 n GLY 65 N 1.42 1.02 0.49 0.72 0.00 -1.26 -4.66 105.19 102.91 1za3 n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1za3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za3 n ARG 66 N -2.00 0.00 -3.56 1.61 1.74 -1.01 -5.03 116.66 108.41 1za3 n ARG 66 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1za3 n ARG 66 Cb 0.00 -0.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.67 1za3 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1za3 s PHE 67 N -1.92 3.63 -0.10 -1.55 0.40 -0.96 -2.10 117.98 115.38 1za3 s PHE 67 Ca 0.00 0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 57.15 1za3 s PHE 67 Cb 0.00 -2.20 0.04 0.00 0.51 0.00 0.00 43.02 41.38 1za3 s PHE 67 CO 0.00 0.57 0.06 0.99 0.70 0.00 0.00 175.22 177.54 1za3 s THR 68 N -1.27 0.02 0.17 0.64 2.01 -0.90 -4.86 115.64 111.45 1za3 s THR 68 Ca 0.29 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1za3 s THR 68 Cb -0.15 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 71.87 1za3 s THR 68 CO 0.16 -0.01 0.41 -0.51 -0.69 0.00 0.00 174.62 173.98 1za3 s ILE 69 N 2.10 5.13 0.34 1.82 2.07 -1.26 -2.03 121.20 129.37 1za3 s ILE 69 Ca 0.03 0.07 -0.18 0.00 -1.41 0.00 0.00 60.65 59.16 1za3 s ILE 69 Cb -0.14 -3.64 0.05 0.00 0.13 0.00 0.00 42.46 38.86 1za3 s ILE 69 CO -0.06 -0.01 0.80 -0.94 -1.91 0.00 0.00 174.94 172.82 1za3 s SER 70 N -2.51 -0.06 -0.28 4.50 1.04 -0.99 -5.00 113.70 110.40 1za3 s SER 70 Ca 0.42 -0.98 -0.23 0.00 0.48 0.00 0.00 55.95 55.64 1za3 s SER 70 Cb -0.12 0.79 0.09 0.00 0.10 0.00 0.00 66.02 66.89 1za3 s SER 70 CO 0.25 -1.55 0.82 0.00 0.98 0.00 0.00 173.24 173.73 1za3 s ALA 71 N -2.67 -1.89 -0.31 5.32 0.00 -1.26 -0.22 121.76 120.72 1za3 s ALA 71 Ca 0.15 2.07 -0.03 0.00 0.00 0.00 0.00 51.96 54.15 1za3 s ALA 71 Cb -0.05 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.78 1za3 s ALA 71 CO 0.10 -0.32 0.02 0.34 0.00 0.00 0.00 175.76 175.90 1za3 s ASP 72 N 0.63 4.99 0.52 0.00 2.15 -0.83 -4.98 116.67 119.16 1za3 s ASP 72 Ca -0.02 -1.23 0.25 0.00 0.43 0.00 0.00 52.55 51.98 1za3 s ASP 72 Cb -0.05 -1.75 1.44 0.00 -0.30 0.00 0.00 42.92 42.26 1za3 s ASP 72 CO -0.06 -0.27 2.10 0.71 -0.17 0.00 0.00 175.17 177.47 1za3 h THR 73 N 6.39 0.68 -0.13 1.71 1.35 -1.96 0.22 112.91 121.17 1za3 h THR 73 Ca -0.22 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 65.13 1za3 h THR 73 Cb 1.07 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1za3 h THR 73 CO 0.55 0.10 -0.24 -1.28 -0.25 0.00 0.00 175.52 174.40 1za3 h SER 74 N 0.00 0.44 0.49 5.36 0.87 -1.94 -2.62 113.55 116.15 1za3 h SER 74 Ca -0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1za3 h SER 74 Cb 0.26 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1za3 h SER 74 CO 0.01 0.90 -0.02 0.29 -0.53 0.00 0.00 176.83 177.49 1za3 n LYS 75 N -4.46 0.51 -4.46 2.24 5.02 -0.82 -4.91 118.16 111.29 1za3 n LYS 75 Ca -0.07 -0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 1za3 n LYS 75 Cb 0.44 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1za3 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1za3 n ASN 76 N -1.21 -2.00 -4.42 4.39 2.85 0.70 -4.86 115.26 110.70 1za3 n ASN 76 Ca 0.15 -1.19 -0.25 0.00 -0.11 0.00 0.00 54.58 53.18 1za3 n ASN 76 Cb 0.24 -1.88 -0.11 0.00 1.24 0.00 0.00 39.78 39.27 1za3 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1za3 s THR 77 N -3.33 2.28 0.33 -0.44 2.01 -1.16 -2.42 115.64 112.92 1za3 s THR 77 Ca 0.76 -2.16 0.09 0.00 0.31 0.00 0.00 61.69 60.70 1za3 s THR 77 Cb -0.44 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1za3 s THR 77 CO 1.00 -0.27 -0.03 0.00 -0.69 0.00 0.00 174.62 174.63 1za3 s ALA 78 N -2.09 3.12 0.07 7.40 0.00 -0.15 -1.97 121.76 128.13 1za3 s ALA 78 Ca 0.23 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1za3 s ALA 78 Cb -0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1za3 s ALA 78 CO 0.11 0.10 -0.05 0.71 0.00 0.00 0.00 175.76 176.64 1za3 s TYR 79 N -2.52 0.67 -0.38 0.00 1.51 0.69 -1.22 117.35 116.09 1za3 s TYR 79 Ca 0.34 -0.94 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 1za3 s TYR 79 Cb -0.01 -0.43 0.16 0.00 -0.11 0.00 0.00 41.96 41.57 1za3 s TYR 79 CO 0.18 -0.26 0.41 -1.17 -1.11 0.00 0.00 175.55 173.61 1za3 s LEU 80 N -2.81 -0.19 -0.53 -1.29 2.96 -0.85 -2.35 118.68 113.62 1za3 s LEU 80 Ca 0.07 -1.59 -0.28 0.00 -0.22 0.00 0.00 54.13 52.11 1za3 s LEU 80 Cb 0.05 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.45 1za3 s LEU 80 CO -0.07 -0.24 1.54 -1.58 -1.32 0.00 0.00 176.35 174.68 1za3 s GLN 81 N 1.37 3.21 -0.24 1.98 2.00 -0.86 -1.61 119.66 125.50 1za3 s GLN 81 Ca 0.18 0.62 -0.14 0.00 -2.00 0.00 0.00 55.36 54.03 1za3 s GLN 81 Cb -0.13 -4.17 -0.04 0.00 0.80 0.00 0.00 33.01 29.46 1za3 s GLN 81 CO -0.03 -2.04 0.30 -1.64 -0.50 0.00 0.00 175.29 171.37 1za3 s MET 82 N 5.75 4.07 0.40 1.67 -1.94 -0.00 -2.12 119.30 127.13 1za3 s MET 82 Ca 0.59 -0.04 0.08 0.00 -1.71 0.00 0.00 55.69 54.60 1za3 s MET 82 Cb -0.13 -3.59 -0.08 0.00 2.01 0.00 0.00 34.83 33.05 1za3 s MET 82 CO 0.26 -0.10 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.35 1za3 s ASN 82 N 1.32 3.85 -0.22 3.03 0.01 -0.89 0.16 114.94 122.20 1za3 s ASN 82 Ca 0.13 -1.33 -0.03 0.00 -0.71 0.00 0.00 52.86 50.92 1za3 s ASN 82 Cb -0.15 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.13 1za3 s ASN 82 CO 0.08 -0.40 0.14 -1.54 -1.51 0.00 0.00 177.10 173.88 1za3 n SER 82 N -0.93 -1.03 -4.77 -1.22 3.41 -1.26 -4.77 113.62 103.06 1za3 n SER 82 Ca -0.05 -0.25 -0.39 0.00 -0.26 0.00 0.00 58.87 57.92 1za3 n SER 82 Cb 0.66 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 1za3 n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1za3 s LEU 82 N -3.78 4.38 0.43 1.04 1.43 -1.14 -4.64 118.68 116.40 1za3 s LEU 82 Ca 0.04 2.19 0.08 0.00 -1.03 0.00 0.00 54.13 55.41 1za3 s LEU 82 Cb -0.02 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.34 1za3 s LEU 82 CO 0.21 -0.30 0.45 -0.13 0.23 0.00 0.00 176.35 176.81 1za3 s ARG 83 N -1.87 2.60 0.32 1.70 0.52 -1.26 -0.05 118.95 120.91 1za3 s ARG 83 Ca 0.50 -1.47 0.09 0.00 -0.52 0.00 0.00 55.73 54.32 1za3 s ARG 83 Cb -0.28 -2.49 0.56 0.00 0.52 0.00 0.00 34.95 33.26 1za3 s ARG 83 CO 0.36 -0.26 1.75 0.00 0.02 0.00 0.00 175.30 177.18 1za3 h ALA 84 N 0.87 1.22 0.00 2.13 0.00 -1.97 -2.46 119.26 119.06 1za3 h ALA 84 Ca -0.40 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 1za3 h ALA 84 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1za3 h ALA 84 CO 0.53 0.54 -0.19 1.05 0.00 0.00 0.00 179.25 181.18 1za3 h GLU 85 N 0.14 0.00 0.00 0.00 4.11 -1.95 -2.52 114.58 114.36 1za3 h GLU 85 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1za3 h GLU 85 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1za3 h GLU 85 CO 0.06 0.19 0.00 -0.25 0.07 0.00 0.00 179.01 179.07 1za3 n ASP 86 N -3.91 0.00 -4.72 3.06 8.00 -0.92 -4.73 116.55 113.33 1za3 n ASP 86 Ca -0.02 -0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1za3 n ASP 86 Cb 0.28 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1za3 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1za3 s THR 87 N -2.42 2.61 0.00 -3.53 2.01 -0.95 -4.90 115.64 108.46 1za3 s THR 87 Ca 0.13 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1za3 s THR 87 Cb 0.08 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1za3 s THR 87 CO 0.17 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 1za3 n ALA 88 N 3.97 0.00 -2.72 7.40 0.00 -1.02 -4.40 120.51 123.73 1za3 n ALA 88 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 1za3 n ALA 88 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1za3 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1za3 s VAL 89 N -2.00 5.24 -0.28 0.00 1.01 -1.02 -1.97 120.40 121.38 1za3 s VAL 89 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.67 1za3 s VAL 89 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1za3 s VAL 89 CO 0.00 0.35 0.13 -0.31 0.00 0.00 0.00 175.10 175.27 1za3 s TYR 90 N 0.56 3.15 0.21 5.22 1.51 -0.52 0.33 117.35 127.81 1za3 s TYR 90 Ca 0.22 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 55.80 1za3 s TYR 90 Cb -0.14 -2.31 -0.07 0.00 -0.11 0.00 0.00 41.96 39.32 1za3 s TYR 90 CO 0.07 -0.35 0.60 0.71 -1.11 0.00 0.00 175.55 175.48 1za3 s TYR 91 N 1.65 3.52 0.15 2.71 2.02 0.27 -2.58 117.35 125.10 1za3 s TYR 91 Ca 0.06 1.07 0.09 0.00 -0.37 0.00 0.00 57.07 57.92 1za3 s TYR 91 Cb -0.16 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 1za3 s TYR 91 CO 0.06 0.32 -0.15 0.00 -1.57 0.00 0.00 175.55 174.21 1za3 s SER 93 N -2.52 -0.25 -0.11 0.00 1.04 0.86 -0.97 113.70 111.76 1za3 s SER 93 Ca 0.21 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.61 1za3 s SER 93 Cb -0.09 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1za3 s SER 93 CO 0.12 -0.52 0.33 -0.60 0.98 0.00 0.00 173.24 173.56 1za3 s ARG 94 N -1.64 4.10 -0.22 4.02 3.52 0.59 -0.97 118.95 128.35 1za3 s ARG 94 Ca -0.11 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 1za3 s ARG 94 Cb -0.03 -3.35 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1za3 s ARG 94 CO 0.03 0.39 -0.14 -0.47 -0.81 0.00 0.00 175.30 174.30 1za3 s TYR 95 N -0.05 3.04 -0.19 5.12 6.14 0.45 -1.12 117.35 130.74 1za3 s TYR 95 Ca 0.20 -1.96 -0.29 0.00 0.64 0.00 0.00 57.07 55.65 1za3 s TYR 95 Cb -0.14 -1.94 -0.01 0.00 0.42 0.00 0.00 41.96 40.29 1za3 s TYR 95 CO 0.07 -0.84 1.23 -1.12 0.64 0.00 0.00 175.55 175.53 1za3 s SER 96 N 1.20 6.94 0.00 4.32 0.01 -1.06 -2.70 113.70 122.42 1za3 s SER 96 Ca -0.02 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1za3 s SER 96 Cb -0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1za3 s SER 96 CO -0.08 -0.78 0.00 -1.20 0.41 0.00 0.00 173.24 171.59 1za3 n SER 97 N 6.66 0.00 -0.03 2.44 7.64 -1.26 -1.77 113.62 127.30 1za3 n SER 97 Ca 0.14 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.04 1za3 n SER 97 Cb 0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 1za3 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1za3 n TYR 98 N 0.00 0.00 -0.14 1.43 9.36 -1.26 -4.41 117.16 122.14 1za3 n TYR 98 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1za3 n TYR 98 Cb 0.00 -0.46 0.14 0.00 -0.63 0.00 0.00 39.34 38.38 1za3 n TYR 98 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1za3 h TYR 99 N 0.00 0.93 0.00 2.98 3.20 -1.97 -3.43 116.97 118.68 1za3 h TYR 99 Ca -0.14 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1za3 h TYR 99 Cb 1.11 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1za3 h TYR 99 CO 0.00 0.82 0.00 -1.13 -1.64 0.00 0.00 178.16 176.21 1za3 n SER 100 N -4.22 0.00 0.00 -2.11 3.41 -1.11 -4.99 113.62 104.60 1za3 n SER 100 Ca 0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1za3 n SER 100 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1za3 n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1za3 n TYR 100 N 1.97 0.00 -2.51 7.33 9.36 -1.26 -5.01 117.16 127.04 1za3 n TYR 100 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 1za3 n TYR 100 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 1za3 n TYR 100 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1za3 s SER 100 N 0.00 6.45 0.15 2.98 1.04 -1.26 -5.17 113.70 117.90 1za3 s SER 100 Ca 0.00 2.01 0.08 0.00 0.48 0.00 0.00 55.95 58.52 1za3 s SER 100 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1za3 s SER 100 CO 0.00 -0.70 -0.10 -0.72 0.98 0.00 0.00 173.24 172.70 1za3 s TYR 100 N -1.82 2.67 -0.46 5.02 1.13 -1.26 -4.97 117.35 117.65 1za3 s TYR 100 Ca 0.64 -0.20 0.05 0.00 -1.41 0.00 0.00 57.07 56.15 1za3 s TYR 100 Cb -0.20 -1.34 -0.00 0.00 -1.10 0.00 0.00 41.96 39.32 1za3 s TYR 100 CO 0.24 0.47 0.45 0.43 -2.51 0.00 0.00 175.55 174.64 1za3 n SER 100 N 0.30 0.88 -3.89 -0.18 7.64 -1.26 -4.99 113.62 112.13 1za3 n SER 100 Ca -0.12 -0.94 -0.27 0.00 1.01 0.00 0.00 58.87 58.55 1za3 n SER 100 Cb 0.54 0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 64.13 1za3 n SER 100 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1za3 n TYR 100 N -0.35 -0.95 -3.74 1.43 4.01 -0.73 -4.93 117.16 111.90 1za3 n TYR 100 Ca 0.02 0.49 -0.08 0.00 -0.16 0.00 0.00 57.90 58.17 1za3 n TYR 100 Cb 0.11 -1.92 0.02 0.00 -0.31 0.00 0.00 39.34 37.23 1za3 n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1za3 n ALA 100 N -3.60 -1.50 -2.50 -0.72 0.00 -1.25 -4.93 120.51 106.01 1za3 n ALA 100 Ca -0.14 -1.17 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 1za3 n ALA 100 Cb 0.48 0.94 -0.03 0.00 0.00 0.00 0.00 19.45 20.84 1za3 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1za3 s MET 100 N -2.13 3.30 0.03 0.00 -1.94 -1.26 -2.55 119.30 114.74 1za3 s MET 100 Ca 0.15 0.12 0.22 0.00 -1.71 0.00 0.00 55.69 54.48 1za3 s MET 100 Cb -0.04 -4.12 -0.22 0.00 2.01 0.00 0.00 34.83 32.46 1za3 s MET 100 CO 0.11 -1.97 0.69 -0.40 -0.01 0.00 0.00 175.02 173.44 1za3 n ASP 101 N 9.26 0.32 -3.88 3.03 5.68 -0.27 -4.87 116.55 125.81 1za3 n ASP 101 Ca 0.08 -0.06 -0.23 0.00 -0.50 0.00 0.00 54.79 54.08 1za3 n ASP 101 Cb 0.49 1.48 -0.17 0.00 -1.14 0.00 0.00 41.12 41.78 1za3 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1za3 s TYR 102 N -3.40 1.02 -0.05 2.11 2.02 -1.24 -5.01 117.35 112.80 1za3 s TYR 102 Ca -0.04 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 1za3 s TYR 102 Cb 0.13 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1za3 s TYR 102 CO 0.87 -0.33 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.76 1za3 s TRP 103 N 1.39 2.59 1.04 2.71 0.52 -1.26 -0.30 118.94 125.62 1za3 s TRP 103 Ca -0.03 -0.32 -0.16 0.00 0.02 0.00 0.00 56.10 55.61 1za3 s TRP 103 Cb -0.13 -1.61 0.22 0.00 -1.15 0.00 0.00 33.47 30.79 1za3 s TRP 103 CO -0.03 0.06 1.18 0.20 0.02 0.00 0.00 176.95 178.38 1za3 s GLY 104 N -0.57 1.64 0.14 0.98 0.00 -0.15 -4.77 107.32 104.59 1za3 s GLY 104 Ca 0.08 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.18 1za3 s GLY 104 CO 0.01 -0.13 1.69 0.61 0.00 0.00 0.00 173.10 175.27 1za3 n GLN 105 N -4.17 0.21 -0.04 2.90 -0.00 -1.25 -4.75 117.38 110.28 1za3 n GLN 105 Ca 0.12 0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.25 1za3 n GLN 105 Cb 0.59 -1.71 0.00 0.00 -0.00 0.00 0.00 30.24 29.13 1za3 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1za3 n GLY 106 N 1.36 -2.95 3.50 2.61 0.00 -1.26 -5.02 105.19 103.43 1za3 n GLY 106 Ca 0.05 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1za3 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1za3 s THR 107 N -2.71 2.79 -0.15 2.61 -4.23 -1.07 -4.94 115.64 107.95 1za3 s THR 107 Ca 0.00 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 58.53 1za3 s THR 107 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1za3 s THR 107 CO 0.00 -0.07 0.58 -0.22 -0.54 0.00 0.00 174.62 174.37 1za3 s LEU 108 N -2.64 4.22 -0.33 4.79 0.20 -1.26 -1.44 118.68 122.21 1za3 s LEU 108 Ca 0.22 0.87 -0.04 0.00 0.69 0.00 0.00 54.13 55.87 1za3 s LEU 108 Cb -0.09 -2.84 0.05 0.00 -0.43 0.00 0.00 46.19 42.88 1za3 s LEU 108 CO 0.12 -0.15 0.07 -0.69 -0.29 0.00 0.00 176.35 175.41 1za3 s VAL 109 N 1.28 3.40 -0.26 1.68 1.01 -0.83 -1.11 120.40 125.57 1za3 s VAL 109 Ca 0.29 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1za3 s VAL 109 Cb -0.16 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1za3 s VAL 109 CO 0.12 -0.20 0.02 0.28 0.00 0.00 0.00 175.10 175.31 1za3 s THR 110 N 1.31 3.64 -0.39 3.92 -1.32 -0.81 -2.42 115.64 119.58 1za3 s THR 110 Ca -0.02 -0.62 -0.13 0.00 -1.21 0.00 0.00 61.69 59.71 1za3 s THR 110 Cb -0.20 -2.78 0.02 0.00 -1.51 0.00 0.00 72.50 68.03 1za3 s THR 110 CO 0.00 0.24 0.24 -0.69 -2.21 0.00 0.00 174.62 172.21 1za3 s VAL 111 N 1.48 4.88 -0.29 5.08 1.01 -1.26 -2.31 120.40 128.99 1za3 s VAL 111 Ca 0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1za3 s VAL 111 Cb -0.16 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.65 1za3 s VAL 111 CO -0.00 -0.25 1.03 -0.55 0.00 0.00 0.00 175.10 175.33 1za3 s SER 112 N 1.61 -0.45 0.06 3.32 0.15 -0.97 -4.44 113.70 112.97 1za3 s SER 112 Ca 0.03 0.82 0.13 0.00 0.70 0.00 0.00 55.95 57.64 1za3 s SER 112 Cb -0.19 0.96 0.58 0.00 -1.71 0.00 0.00 66.02 65.65 1za3 s SER 112 CO 0.08 -0.14 1.42 -1.54 1.20 0.00 0.00 173.24 174.26 1za3 n SER 113 N 2.71 0.14 -4.73 5.45 3.41 -1.26 -4.56 113.62 114.78 1za3 n SER 113 Ca -0.14 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.59 1za3 n SER 113 Cb 0.57 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1za3 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1za3 s ALA 114 N -3.08 3.79 0.44 7.33 0.00 -1.26 -5.01 121.76 123.97 1za3 s ALA 114 Ca 0.05 1.47 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 1za3 s ALA 114 Cb 0.07 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1za3 s ALA 114 CO 0.23 -0.86 0.77 -1.12 0.00 0.00 0.00 175.76 174.78 1za3 s SER 115 N 0.88 6.40 -0.51 0.00 0.01 -1.26 -4.96 113.70 114.26 1za3 s SER 115 Ca 0.68 1.04 -0.28 0.00 1.31 0.00 0.00 55.95 58.69 1za3 s SER 115 Cb -0.46 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.50 1za3 s SER 115 CO 0.37 -0.48 1.32 -0.89 0.41 0.00 0.00 173.24 173.97 1za3 s THR 116 N -2.53 3.94 0.15 1.44 2.01 -1.26 -4.76 115.64 114.63 1za3 s THR 116 Ca 0.49 0.89 0.10 0.00 0.31 0.00 0.00 61.69 63.48 1za3 s THR 116 Cb -0.10 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1za3 s THR 116 CO 0.37 -1.07 -0.20 -0.75 -0.69 0.00 0.00 174.62 172.29 1za3 s LYS 117 N 5.05 1.69 0.76 4.92 2.20 0.16 -4.91 119.74 129.62 1za3 s LYS 117 Ca 0.52 -1.33 -0.09 0.00 -0.36 0.00 0.00 55.97 54.71 1za3 s LYS 117 Cb -0.10 -2.01 0.07 0.00 -1.51 0.00 0.00 37.83 34.28 1za3 s LYS 117 CO 0.28 0.44 1.10 0.20 -0.36 0.00 0.00 175.35 177.02 1za3 s GLY 118 N -2.42 1.64 0.25 5.54 0.00 -1.26 -2.21 107.32 108.87 1za3 s GLY 118 Ca 0.19 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 44.05 1za3 s GLY 118 CO 0.10 -0.34 0.54 2.56 0.00 0.00 0.00 173.10 175.96 1za3 s PRO 119 N -5.41 3.71 0.35 2.90 0.04 -1.26 -4.28 135.00 131.04 1za3 s PRO 119 Ca 0.61 0.13 -0.05 0.00 0.04 0.00 0.00 61.00 61.73 1za3 s PRO 119 Cb -0.11 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1za3 s PRO 119 CO 0.47 0.27 0.62 -1.12 0.04 0.00 0.00 177.00 177.29 1za3 s SER 120 N -2.75 6.41 -0.17 6.66 0.01 -1.12 -4.99 113.70 117.76 1za3 s SER 120 Ca 0.45 0.78 -0.02 0.00 1.31 0.00 0.00 55.95 58.47 1za3 s SER 120 Cb -0.11 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 64.00 1za3 s SER 120 CO 0.26 -0.30 0.01 -0.69 0.41 0.00 0.00 173.24 172.93 1za3 s VAL 121 N -2.26 0.65 0.03 3.43 1.01 -1.26 -2.58 120.40 119.42 1za3 s VAL 121 Ca 0.45 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1za3 s VAL 121 Cb -0.10 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1za3 s VAL 121 CO 0.33 -0.08 -0.01 -0.36 0.00 0.00 0.00 175.10 174.98 1za3 s PHE 122 N 1.81 3.03 -0.21 5.22 0.08 -1.00 -4.93 117.98 121.97 1za3 s PHE 122 Ca -0.00 0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.79 1za3 s PHE 122 Cb -0.16 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1za3 s PHE 122 CO -0.07 0.46 1.04 -1.25 -0.10 0.00 0.00 175.22 175.29 1za3 s PRO 123 N -1.83 4.28 -0.87 0.24 0.04 -1.26 -0.43 135.00 135.17 1za3 s PRO 123 Ca 0.22 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.39 1za3 s PRO 123 Cb -0.12 -3.63 0.06 0.00 0.04 0.00 0.00 34.50 30.86 1za3 s PRO 123 CO 0.13 -0.59 1.28 -0.51 0.04 0.00 0.00 177.00 177.35 1za3 s LEU 124 N 3.04 3.79 0.39 -3.56 1.43 -0.73 -4.89 118.68 118.15 1za3 s LEU 124 Ca 0.45 -1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 52.10 1za3 s LEU 124 Cb -0.15 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.46 1za3 s LEU 124 CO 0.08 -1.52 1.12 0.00 0.23 0.00 0.00 176.35 176.26 1za3 s ALA 125 N 4.69 3.16 0.84 4.21 0.00 -1.26 -1.36 121.76 132.03 1za3 s ALA 125 Ca 0.37 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 1za3 s ALA 125 Cb -0.05 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1za3 s ALA 125 CO 0.00 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.22 1za3 s PRO 126 N -2.27 1.72 0.30 0.00 0.04 -1.26 -4.85 135.00 128.69 1za3 s PRO 126 Ca 0.56 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1za3 s PRO 126 Cb -0.28 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1za3 s PRO 126 CO 0.35 -1.92 0.00 0.45 0.04 0.00 0.00 177.00 175.92 1za3 n SER 127 N -3.66 -5.65 -1.42 6.66 2.88 -1.26 -4.55 113.62 106.62 1za3 n SER 127 Ca 0.07 0.98 0.09 0.00 -1.33 0.00 0.00 58.87 58.68 1za3 n SER 127 Cb 0.55 -3.78 -0.05 0.00 -0.75 0.00 0.00 64.21 60.18 1za3 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1za3 n GLY 134 N -0.35 -3.67 3.05 0.46 0.00 -1.26 -5.09 105.19 98.33 1za3 n GLY 134 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1za3 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za3 s THR 135 N -4.77 0.08 -0.20 2.61 2.01 -1.26 -3.89 115.64 110.21 1za3 s THR 135 Ca 0.00 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 1za3 s THR 135 Cb 0.00 -0.34 0.08 0.00 0.01 0.00 0.00 72.50 72.25 1za3 s THR 135 CO 0.00 -0.36 0.46 0.00 -0.69 0.00 0.00 174.62 174.03 1za3 s ALA 136 N -1.19 -1.26 -0.07 7.40 0.00 -1.04 -4.77 121.76 120.83 1za3 s ALA 136 Ca -0.13 1.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 1za3 s ALA 136 Cb -0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1za3 s ALA 136 CO 0.01 -0.54 0.24 0.00 0.00 0.00 0.00 175.76 175.46 1za3 s ALA 137 N 2.06 3.82 0.24 0.00 0.00 -1.26 -3.24 121.76 123.38 1za3 s ALA 137 Ca -0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1za3 s ALA 137 Cb -0.10 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1za3 s ALA 137 CO -0.14 0.58 0.37 -0.48 0.00 0.00 0.00 175.76 176.09 1za3 s LEU 138 N -1.16 0.66 0.00 0.00 0.05 -1.21 -4.00 118.68 113.03 1za3 s LEU 138 Ca 0.19 -1.14 0.00 0.00 0.05 0.00 0.00 54.13 53.24 1za3 s LEU 138 Cb -0.14 1.29 0.00 0.00 -2.05 0.00 0.00 46.19 45.29 1za3 s LEU 138 CO 0.09 -1.06 0.00 0.61 -0.55 0.00 0.00 176.35 175.44 1za3 n GLY 139 N -0.37 1.72 3.38 -3.48 0.00 -0.46 -1.28 105.19 104.70 1za3 n GLY 139 Ca -0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1za3 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za3 s LEU 141 N -0.27 6.13 -0.67 0.00 2.96 0.43 -2.22 118.68 125.03 1za3 s LEU 141 Ca -0.04 -2.10 -0.26 0.00 -0.22 0.00 0.00 54.13 51.51 1za3 s LEU 141 Cb -0.03 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.57 1za3 s LEU 141 CO 0.03 -0.72 1.14 -0.69 -1.32 0.00 0.00 176.35 174.79 1za3 s VAL 142 N 1.10 4.01 0.25 1.68 1.01 -0.29 -2.39 120.40 125.78 1za3 s VAL 142 Ca 0.08 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.38 1za3 s VAL 142 Cb -0.24 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1za3 s VAL 142 CO -0.01 -1.59 0.04 -0.75 0.00 0.00 0.00 175.10 172.79 1za3 s LYS 143 N 4.94 2.45 -0.59 2.72 2.20 -1.06 -0.60 119.74 129.80 1za3 s LYS 143 Ca 0.32 -1.31 -0.14 0.00 -0.36 0.00 0.00 55.97 54.48 1za3 s LYS 143 Cb -0.11 -2.27 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1za3 s LYS 143 CO 0.15 0.38 0.64 -0.25 -0.36 0.00 0.00 175.35 175.92 1za3 n ASP 144 N -0.88 -6.93 -3.77 1.43 8.00 -0.72 -2.77 116.55 110.91 1za3 n ASP 144 Ca -0.07 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 1za3 n ASP 144 Cb 0.58 -4.03 -0.09 0.00 -0.02 0.00 0.00 41.12 37.56 1za3 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1za3 s TYR 145 N -2.55 -0.22 -0.15 1.24 1.13 -0.66 -4.13 117.35 112.00 1za3 s TYR 145 Ca 0.17 0.42 -0.21 0.00 -1.41 0.00 0.00 57.07 56.04 1za3 s TYR 145 Cb -0.03 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.97 1za3 s TYR 145 CO 0.81 -0.32 0.54 0.12 -2.51 0.00 0.00 175.55 174.20 1za3 s PHE 146 N -0.87 -0.56 0.00 -3.49 2.19 -0.94 0.12 117.98 114.43 1za3 s PHE 146 Ca -0.10 1.26 0.00 0.00 0.33 0.00 0.00 56.93 58.42 1za3 s PHE 146 Cb -0.04 0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.89 1za3 s PHE 146 CO 0.03 -0.36 0.00 -0.35 1.83 0.00 0.00 175.22 176.37 1za3 n PRO 147 N 2.24 0.80 -2.55 10.12 -0.04 -1.26 -0.66 135.00 143.65 1za3 n PRO 147 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1za3 n PRO 147 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 1za3 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1za3 s GLU 148 N -1.41 4.00 0.46 0.54 2.02 -1.26 -4.75 118.70 118.30 1za3 s GLU 148 Ca 0.00 0.95 0.08 0.00 0.02 0.00 0.00 54.97 56.01 1za3 s GLU 148 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1za3 s GLU 148 CO 0.00 -0.19 0.46 -1.25 0.02 0.00 0.00 175.26 174.31 1za3 s PRO 149 N -3.82 2.49 0.08 0.39 0.04 -1.26 -5.05 135.00 127.88 1za3 s PRO 149 Ca 0.59 -1.59 0.09 0.00 0.04 0.00 0.00 61.00 60.12 1za3 s PRO 149 Cb -0.10 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1za3 s PRO 149 CO 0.27 -0.37 -0.23 0.54 0.04 0.00 0.00 177.00 177.25 1za3 s VAL 150 N -2.53 1.85 0.07 -0.36 0.11 -1.26 -4.38 120.40 113.90 1za3 s VAL 150 Ca 0.48 -1.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 1za3 s VAL 150 Cb -0.04 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1za3 s VAL 150 CO 0.29 0.12 -0.13 0.42 -3.33 0.00 0.00 175.10 172.47 1za3 s THR 151 N -0.97 3.15 -0.02 5.04 -4.23 -1.17 -5.00 115.64 112.44 1za3 s THR 151 Ca 0.09 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1za3 s THR 151 Cb -0.10 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1za3 s THR 151 CO 0.03 0.22 0.03 -0.69 -0.54 0.00 0.00 174.62 173.66 1za3 s VAL 152 N -1.09 -0.04 0.33 2.29 1.01 -1.26 -1.76 120.40 119.89 1za3 s VAL 152 Ca 0.18 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1za3 s VAL 152 Cb -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 1za3 s VAL 152 CO 0.10 0.07 0.03 -0.94 0.00 0.00 0.00 175.10 174.35 1za3 s SER 153 N 0.79 2.69 -0.07 3.32 1.04 -1.13 -5.00 113.70 115.34 1za3 s SER 153 Ca -0.07 -1.35 0.05 0.00 0.48 0.00 0.00 55.95 55.07 1za3 s SER 153 Cb -0.09 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1za3 s SER 153 CO -0.02 -0.54 -0.23 0.26 0.98 0.00 0.00 173.24 173.68 1za3 s TRP 154 N -3.15 2.50 -1.01 5.02 0.52 -1.26 -1.50 118.94 120.06 1za3 s TRP 154 Ca 0.35 -0.72 -0.02 0.00 0.02 0.00 0.00 56.10 55.73 1za3 s TRP 154 Cb 0.08 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1za3 s TRP 154 CO 0.15 -0.22 0.10 0.09 0.02 0.00 0.00 176.95 177.09 1za3 n ASN 155 N 3.03 -3.65 0.00 2.95 3.02 -0.41 -2.13 115.26 118.06 1za3 n ASN 155 Ca -0.18 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1za3 n ASN 155 Cb 0.52 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 1za3 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1za3 n SER 156 N -1.88 -2.93 0.00 6.41 7.64 -1.26 -3.15 113.62 118.45 1za3 n SER 156 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1za3 n SER 156 Cb 0.59 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1za3 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1za3 n GLY 157 N -2.98 0.50 0.23 0.23 0.00 -0.90 -4.98 105.19 97.29 1za3 n GLY 157 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1za3 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za3 h ALA 158 N 0.00 0.97 -2.98 4.61 0.00 -1.56 -3.41 119.26 116.88 1za3 h ALA 158 Ca 0.00 -0.12 -0.66 0.00 0.00 0.00 0.00 54.91 54.14 1za3 h ALA 158 Cb 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 17.51 1za3 h ALA 158 CO 0.00 0.16 -0.67 -1.17 0.00 0.00 0.00 179.25 177.57 1za3 s LEU 159 N -6.41 3.19 0.00 0.00 0.20 -1.10 -4.94 118.68 109.62 1za3 s LEU 159 Ca 0.03 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.51 1za3 s LEU 159 Cb 0.08 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 1za3 s LEU 159 CO 0.63 -0.04 0.00 0.35 -0.29 0.00 0.00 176.35 177.00 1za3 n THR 160 N 4.85 0.00 -1.73 3.68 -2.24 -1.26 -4.22 114.28 113.36 1za3 n THR 160 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1za3 n THR 160 Cb 0.51 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1za3 n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1za3 s SER 161 N -2.79 6.21 0.00 3.42 0.01 -1.26 -2.45 113.70 116.83 1za3 s SER 161 Ca 0.00 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1za3 s SER 161 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1za3 s SER 161 CO 0.00 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.97 1za3 n GLY 162 N 4.82 0.59 3.42 3.44 0.00 -1.26 -4.80 105.19 111.41 1za3 n GLY 162 Ca 0.22 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1za3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1za3 s VAL 163 N -2.00 4.49 -0.35 1.61 1.01 -1.03 -2.63 120.40 121.50 1za3 s VAL 163 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1za3 s VAL 163 Cb 0.00 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1za3 s VAL 163 CO 0.00 0.06 0.11 -1.00 0.00 0.00 0.00 175.10 174.27 1za3 s HIS 164 N 1.59 3.35 -0.59 5.22 3.76 -0.85 -5.02 115.29 122.74 1za3 s HIS 164 Ca 0.04 -1.82 -0.18 0.00 -0.15 0.00 0.00 55.06 52.95 1za3 s HIS 164 Cb -0.17 -2.52 0.12 0.00 1.11 0.00 0.00 32.58 31.11 1za3 s HIS 164 CO 0.06 -0.83 0.65 0.99 -0.85 0.00 0.00 174.74 174.76 1za3 s THR 165 N 1.29 4.96 0.94 1.30 2.01 -1.26 -2.17 115.64 122.70 1za3 s THR 165 Ca -0.00 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 1za3 s THR 165 Cb -0.21 -4.45 0.14 0.00 0.01 0.00 0.00 72.50 67.99 1za3 s THR 165 CO -0.00 -1.05 1.02 0.49 -0.69 0.00 0.00 174.62 174.39 1za3 n PHE 166 N 5.94 0.41 -2.08 4.92 3.72 -0.84 -4.98 117.46 124.56 1za3 n PHE 166 Ca -0.10 0.35 -0.35 0.00 -0.05 0.00 0.00 57.45 57.31 1za3 n PHE 166 Cb 0.42 -1.95 0.02 0.00 -0.94 0.00 0.00 39.48 37.03 1za3 n PHE 166 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1za3 s PRO 167 N -4.47 3.12 0.95 -1.08 0.02 -1.26 -4.77 135.00 127.51 1za3 s PRO 167 Ca 0.65 1.61 -0.12 0.00 0.02 0.00 0.00 61.00 63.17 1za3 s PRO 167 Cb -0.23 -1.97 0.16 0.00 0.02 0.00 0.00 34.50 32.48 1za3 s PRO 167 CO 0.60 -1.03 1.09 0.00 -0.33 0.00 0.00 177.00 177.32 1za3 s ALA 168 N -1.87 1.17 -0.04 -1.55 0.00 -1.26 -4.82 121.76 113.40 1za3 s ALA 168 Ca 0.72 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1za3 s ALA 168 Cb -0.25 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1za3 s ALA 168 CO 0.32 -2.67 0.02 0.08 0.00 0.00 0.00 175.76 173.51 1za3 s VAL 169 N -2.86 0.10 -0.67 0.00 1.01 -0.54 -4.96 120.40 112.47 1za3 s VAL 169 Ca 0.65 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 1za3 s VAL 169 Cb -0.19 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1za3 s VAL 169 CO 0.58 0.16 1.26 -0.22 0.00 0.00 0.00 175.10 176.88 1za3 s LEU 170 N 1.39 3.28 0.96 3.92 0.20 -1.26 -2.75 118.68 124.42 1za3 s LEU 170 Ca -0.05 -0.20 -0.12 0.00 0.69 0.00 0.00 54.13 54.45 1za3 s LEU 170 Cb -0.13 -2.81 0.16 0.00 -0.43 0.00 0.00 46.19 42.99 1za3 s LEU 170 CO -0.03 -1.71 1.10 -1.10 -0.29 0.00 0.00 176.35 174.33 1za3 s GLN 171 N 5.45 0.76 0.42 1.98 -0.21 -0.27 -4.88 119.66 122.90 1za3 s GLN 171 Ca 0.39 0.56 0.11 0.00 0.02 0.00 0.00 55.36 56.44 1za3 s GLN 171 Cb -0.08 -1.77 0.89 0.00 1.00 0.00 0.00 33.01 33.05 1za3 s GLN 171 CO 0.19 -2.52 1.97 0.66 -2.12 0.00 0.00 175.29 173.48 1za3 h SER 172 N -1.74 0.18 0.00 5.90 4.64 -1.95 -0.16 113.55 120.42 1za3 h SER 172 Ca -0.53 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1za3 h SER 172 Cb 1.32 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1za3 h SER 172 CO 0.58 0.29 0.06 0.77 -0.87 0.00 0.00 176.83 177.66 1za3 h SER 173 N 0.19 0.00 0.00 4.97 4.64 -2.01 -3.45 113.55 117.88 1za3 h SER 173 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1za3 h SER 173 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1za3 h SER 173 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1za3 n GLY 174 N -1.12 0.65 3.85 -0.77 0.00 -0.07 -5.01 105.19 102.72 1za3 n GLY 174 Ca -0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1za3 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1za3 s LEU 175 N 0.00 4.04 0.64 0.99 1.43 -1.26 -4.88 118.68 119.65 1za3 s LEU 175 Ca 0.00 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1za3 s LEU 175 Cb 0.00 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1za3 s LEU 175 CO 0.00 0.12 0.98 -0.31 0.23 0.00 0.00 176.35 177.37 1za3 s TYR 176 N -1.59 3.21 -0.22 0.29 2.02 0.12 -1.12 117.35 120.07 1za3 s TYR 176 Ca 0.32 0.72 -0.27 0.00 -0.37 0.00 0.00 57.07 57.47 1za3 s TYR 176 Cb -0.12 -2.91 0.11 0.00 -0.40 0.00 0.00 41.96 38.64 1za3 s TYR 176 CO 0.25 -1.03 0.96 0.45 -1.57 0.00 0.00 175.55 174.60 1za3 s SER 177 N -4.36 -0.47 0.16 2.29 0.15 -1.11 -1.65 113.70 108.71 1za3 s SER 177 Ca 0.56 0.75 -0.14 0.00 0.70 0.00 0.00 55.95 57.83 1za3 s SER 177 Cb -0.11 0.71 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1za3 s SER 177 CO 0.47 -0.27 0.39 -1.48 1.20 0.00 0.00 173.24 173.55 1za3 s LEU 178 N -0.34 0.55 0.19 3.45 0.05 0.23 -1.47 118.68 121.34 1za3 s LEU 178 Ca -0.00 -0.59 0.09 0.00 0.05 0.00 0.00 54.13 53.68 1za3 s LEU 178 Cb -0.03 1.67 -0.04 0.00 -2.05 0.00 0.00 46.19 45.74 1za3 s LEU 178 CO -0.01 -0.93 -0.12 -0.44 -0.55 0.00 0.00 176.35 174.29 1za3 s SER 179 N -2.89 4.08 -0.08 1.48 0.01 -1.26 -1.14 113.70 113.90 1za3 s SER 179 Ca 0.10 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 1za3 s SER 179 Cb 0.02 -0.62 0.03 0.00 0.21 0.00 0.00 66.02 65.66 1za3 s SER 179 CO -0.05 0.10 0.01 -0.55 0.41 0.00 0.00 173.24 173.17 1za3 s SER 180 N -2.86 1.68 0.31 2.44 0.15 -0.94 -1.98 113.70 112.51 1za3 s SER 180 Ca 0.24 -0.15 0.11 0.00 0.70 0.00 0.00 55.95 56.85 1za3 s SER 180 Cb -0.08 -0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 63.74 1za3 s SER 180 CO 0.14 -0.21 -0.13 0.68 1.20 0.00 0.00 173.24 174.93 1za3 s VAL 181 N 1.98 2.49 -0.13 4.45 -7.23 -0.92 -1.67 120.40 119.36 1za3 s VAL 181 Ca 0.04 -2.25 -0.05 0.00 -1.81 0.00 0.00 61.98 57.91 1za3 s VAL 181 Cb -0.13 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.36 1za3 s VAL 181 CO -0.05 -0.31 0.28 0.54 -0.31 0.00 0.00 175.10 175.25 1za3 s VAL 182 N -2.53 -0.39 0.13 1.32 0.11 -0.41 -2.01 120.40 116.61 1za3 s VAL 182 Ca 0.31 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.32 1za3 s VAL 182 Cb -0.02 -0.46 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 1za3 s VAL 182 CO 0.16 0.11 1.15 0.42 -3.33 0.00 0.00 175.10 173.61 1za3 s THR 183 N 2.30 3.91 0.12 5.04 -4.23 -1.08 -3.28 115.64 118.42 1za3 s THR 183 Ca -0.00 1.51 0.01 0.00 -1.18 0.00 0.00 61.69 62.03 1za3 s THR 183 Cb -0.12 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 1za3 s THR 183 CO -0.09 0.20 -0.03 0.68 -0.54 0.00 0.00 174.62 174.83 1za3 s VAL 184 N 0.35 0.59 0.36 2.29 -7.23 -1.20 -4.76 120.40 110.80 1za3 s VAL 184 Ca 0.54 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 1za3 s VAL 184 Cb -0.30 -1.81 -0.12 0.00 0.56 0.00 0.00 36.38 34.71 1za3 s VAL 184 CO 0.33 -0.74 1.32 -2.65 -0.31 0.00 0.00 175.10 173.04 1za3 n PRO 185 N -0.08 2.19 0.19 4.82 -0.02 -1.26 -2.50 135.00 138.33 1za3 n PRO 185 Ca -0.10 0.77 0.06 0.00 -2.02 0.00 0.00 63.50 62.20 1za3 n PRO 185 Cb 0.62 -2.39 0.32 0.00 -0.02 0.00 0.00 33.50 32.03 1za3 n PRO 185 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1za3 h SER 186 N 2.56 0.00 1.48 2.55 0.87 -1.86 -2.85 113.55 116.29 1za3 h SER 186 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1za3 h SER 186 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1za3 h SER 186 CO 0.62 0.38 0.00 0.77 -0.53 0.00 0.00 176.83 178.07 1za3 h SER 187 N 0.00 0.00 1.05 6.23 4.64 -1.91 -3.16 113.55 120.41 1za3 h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1za3 h SER 187 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1za3 h SER 187 CO 0.05 0.00 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.41 1za3 n SER 188 N -2.67 0.23 -0.23 4.97 3.41 -1.07 -4.30 113.62 113.96 1za3 n SER 188 Ca 0.04 0.44 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1za3 n SER 188 Cb 0.42 -0.48 0.13 0.00 -0.26 0.00 0.00 64.21 64.02 1za3 n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1za3 h LEU 189 N 0.00 0.38 -0.29 1.04 3.38 -1.67 -2.73 115.31 115.42 1za3 h LEU 189 Ca 0.00 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1za3 h LEU 189 Cb 0.56 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1za3 h LEU 189 CO 0.00 0.21 -0.67 1.23 0.09 0.00 0.00 178.44 179.31 1za3 h GLY 190 N 0.53 0.00 0.00 0.83 0.00 -1.84 -3.38 103.07 99.21 1za3 h GLY 190 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1za3 h GLY 190 CO -0.29 0.00 -0.39 -1.30 0.00 0.00 0.00 176.54 174.56 1za3 n THR 191 N -3.41 0.00 -3.59 4.70 -2.24 -1.22 -4.99 114.28 103.52 1za3 n THR 191 Ca 0.00 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 1za3 n THR 191 Cb 0.75 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 1za3 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1za3 s GLN 192 N -1.25 4.07 -0.28 -0.78 2.00 -1.03 -5.08 119.66 117.30 1za3 s GLN 192 Ca 0.00 0.09 -0.11 0.00 -2.00 0.00 0.00 55.36 53.35 1za3 s GLN 192 Cb 0.00 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 1za3 s GLN 192 CO 0.00 0.40 0.19 0.95 -0.50 0.00 0.00 175.29 176.33 1za3 s THR 193 N -0.03 5.22 -0.26 -0.34 -4.23 -1.26 -4.80 115.64 109.94 1za3 s THR 193 Ca 0.17 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1za3 s THR 193 Cb -0.13 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 1za3 s THR 193 CO 0.05 0.22 0.09 -0.31 -0.54 0.00 0.00 174.62 174.14 1za3 s TYR 194 N 1.74 3.11 0.01 3.99 2.02 -1.26 -4.95 117.35 122.02 1za3 s TYR 194 Ca 0.07 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 1za3 s TYR 194 Cb -0.16 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.11 1za3 s TYR 194 CO 0.10 -0.36 -0.18 0.42 -1.57 0.00 0.00 175.55 173.96 1za3 s ILE 195 N 1.62 1.40 -0.42 2.71 1.01 -1.26 -2.31 121.20 123.95 1za3 s ILE 195 Ca 0.06 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1za3 s ILE 195 Cb -0.15 -1.20 0.10 0.00 0.01 0.00 0.00 42.46 41.22 1za3 s ILE 195 CO 0.05 0.26 0.23 0.00 0.00 0.00 0.00 174.94 175.48 1za3 s ASN 197 N 2.04 6.59 0.34 0.00 -0.87 -0.57 -2.98 114.94 119.49 1za3 s ASN 197 Ca 0.06 -2.26 -0.05 0.00 -1.57 0.00 0.00 52.86 49.03 1za3 s ASN 197 Cb -0.23 -2.27 -0.05 0.00 -0.02 0.00 0.00 41.25 38.68 1za3 s ASN 197 CO -0.02 -0.80 0.61 -0.69 -2.57 0.00 0.00 177.10 173.63 1za3 s VAL 198 N 1.28 4.98 -0.36 1.60 1.01 -0.53 -2.84 120.40 125.54 1za3 s VAL 198 Ca 0.19 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1za3 s VAL 198 Cb -0.13 -3.76 0.17 0.00 0.00 0.00 0.00 36.38 32.65 1za3 s VAL 198 CO -0.06 -0.44 0.47 0.21 0.00 0.00 0.00 175.10 175.28 1za3 s ASN 199 N -3.37 0.03 -0.12 3.32 3.84 -0.72 -2.80 114.94 115.12 1za3 s ASN 199 Ca 0.45 -0.96 -0.26 0.00 0.21 0.00 0.00 52.86 52.29 1za3 s ASN 199 Cb -0.10 1.18 -0.02 0.00 -0.55 0.00 0.00 41.25 41.76 1za3 s ASN 199 CO 0.32 -0.26 0.87 -2.28 -2.79 0.00 0.00 177.10 172.96 1za3 s HIS 200 N 1.90 3.49 -0.16 0.43 5.65 -0.77 -3.07 115.29 122.76 1za3 s HIS 200 Ca 0.15 1.37 -0.21 0.00 0.25 0.00 0.00 55.06 56.61 1za3 s HIS 200 Cb -0.11 -3.03 -0.23 0.00 -1.18 0.00 0.00 32.58 28.02 1za3 s HIS 200 CO -0.12 -0.17 0.46 -0.22 -0.65 0.00 0.00 174.74 174.04 1za3 h LYS 201 N 7.15 0.08 0.00 2.88 3.64 -1.85 -2.66 116.57 125.81 1za3 h LYS 201 Ca -0.32 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1za3 h LYS 201 Cb 1.15 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1za3 h LYS 201 CO 0.82 1.06 -0.02 -1.35 -2.27 0.00 0.00 179.45 177.70 1za3 h PRO 202 N -0.77 0.00 -0.11 1.90 0.11 -1.94 -3.07 132.00 128.11 1za3 h PRO 202 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1za3 h PRO 202 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1za3 h PRO 202 CO -0.07 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 176.61 1za3 n SER 203 N -3.81 2.60 -2.03 -2.05 3.41 -1.26 -4.99 113.62 105.48 1za3 n SER 203 Ca -0.03 -1.76 -0.19 0.00 -0.26 0.00 0.00 58.87 56.63 1za3 n SER 203 Cb 0.10 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1za3 n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1za3 n ASN 204 N 0.97 -5.43 -4.67 4.04 5.15 -1.16 -4.89 115.26 109.28 1za3 n ASN 204 Ca 0.11 0.07 -0.38 0.00 -0.60 0.00 0.00 54.58 53.78 1za3 n ASN 204 Cb 0.44 -4.50 -0.08 0.00 -0.53 0.00 0.00 39.78 35.11 1za3 n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1za3 s THR 205 N -2.90 5.23 -0.12 -0.44 2.01 -1.00 -5.02 115.64 113.40 1za3 s THR 205 Ca 0.00 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.61 1za3 s THR 205 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1za3 s THR 205 CO 0.00 0.27 -0.22 -0.75 -0.69 0.00 0.00 174.62 173.23 1za3 s LYS 206 N 1.29 3.08 -0.02 4.92 2.20 -1.26 -1.84 119.74 128.10 1za3 s LYS 206 Ca 0.16 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1za3 s LYS 206 Cb -0.14 -2.40 -0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1za3 s LYS 206 CO 0.07 0.11 -0.11 0.08 -0.36 0.00 0.00 175.35 175.14 1za3 s VAL 207 N 0.53 0.89 -0.17 4.02 1.01 -1.12 -5.04 120.40 120.52 1za3 s VAL 207 Ca -0.13 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1za3 s VAL 207 Cb -0.17 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1za3 s VAL 207 CO 0.05 0.27 -0.15 -1.81 0.00 0.00 0.00 175.10 173.46 1za3 s ASP 208 N 0.03 2.96 -0.09 3.32 1.01 -1.26 -1.45 116.67 121.18 1za3 s ASP 208 Ca -0.01 -0.62 0.04 0.00 0.71 0.00 0.00 52.55 52.67 1za3 s ASP 208 Cb -0.08 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.59 1za3 s ASP 208 CO 0.00 -0.06 -0.23 -0.75 0.21 0.00 0.00 175.17 174.34 1za3 s LYS 209 N 1.42 2.83 0.10 8.23 2.47 -1.16 -4.96 119.74 128.68 1za3 s LYS 209 Ca 0.03 -0.83 -0.27 0.00 -1.56 0.00 0.00 55.97 53.34 1za3 s LYS 209 Cb -0.14 -2.18 -0.06 0.00 -1.46 0.00 0.00 37.83 33.99 1za3 s LYS 209 CO -0.11 0.19 0.85 0.21 0.16 0.00 0.00 175.35 176.65 1za3 s LYS 210 N 0.32 4.60 -0.43 4.03 2.20 -1.26 -1.96 119.74 127.24 1za3 s LYS 210 Ca -0.17 1.24 -0.06 0.00 -0.36 0.00 0.00 55.97 56.63 1za3 s LYS 210 Cb -0.17 -3.35 0.11 0.00 -1.51 0.00 0.00 37.83 32.91 1za3 s LYS 210 CO 0.08 0.32 0.25 0.08 -0.36 0.00 0.00 175.35 175.72 1za3 s VAL 211 N -0.29 3.71 0.57 4.02 1.01 -0.98 -4.87 120.40 123.57 1za3 s VAL 211 Ca 0.41 -1.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.48 1za3 s VAL 211 Cb -0.22 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1za3 s VAL 211 CO 0.27 -0.67 0.88 -1.61 0.00 0.00 0.00 175.10 173.96 1za3 s GLU 212 N 1.26 3.06 0.09 2.72 2.02 -1.26 -4.60 118.70 121.98 1za3 s GLU 212 Ca 0.06 0.04 -0.31 0.00 0.02 0.00 0.00 54.97 54.78 1za3 s GLU 212 Cb -0.24 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 1za3 s GLU 212 CO -0.02 -0.59 1.22 -2.14 0.02 0.00 0.00 175.26 173.75 1za3 s PRO 213 N -4.94 4.43 0.00 0.39 0.02 -1.26 -4.34 135.00 129.30 1za3 s PRO 213 Ca 0.52 1.83 0.18 0.00 0.02 0.00 0.00 61.00 63.55 1za3 s PRO 213 Cb -0.10 -3.32 1.05 0.00 0.02 0.00 0.00 34.50 32.15 1za3 s PRO 213 CO 0.45 -0.25 1.45 0.36 -0.33 0.00 0.00 177.00 178.69