#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aaz s VAL 2 N 0.00 4.62 -0.04 -0.39 -7.23 -1.26 -4.15 120.40 111.95 3aaz s VAL 2 Ca 0.00 1.12 -0.10 0.00 -1.81 0.00 0.00 61.98 61.20 3aaz s VAL 2 Cb 0.00 -3.74 0.02 0.00 0.56 0.00 0.00 36.38 33.22 3aaz s VAL 2 CO 0.00 0.02 0.23 0.42 -0.31 0.00 0.00 175.10 175.45 3aaz s THR 3 N -1.75 0.04 0.02 5.32 -4.23 -0.96 -5.01 115.64 109.09 3aaz s THR 3 Ca 0.48 -0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.69 3aaz s THR 3 Cb -0.14 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 3aaz s THR 3 CO 0.19 -0.20 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.12 3aaz s LEU 4 N -0.79 2.13 -0.03 4.79 1.43 -1.26 -1.54 118.68 123.40 3aaz s LEU 4 Ca -0.09 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3aaz s LEU 4 Cb -0.05 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.29 3aaz s LEU 4 CO 0.02 0.16 0.02 -0.75 0.23 0.00 0.00 176.35 176.03 3aaz s LYS 5 N -0.94 0.14 0.11 1.70 2.20 -0.59 -4.16 119.74 118.20 3aaz s LYS 5 Ca 0.06 0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.72 3aaz s LYS 5 Cb -0.08 -0.45 -0.06 0.00 -1.51 0.00 0.00 37.83 35.73 3aaz s LYS 5 CO 0.01 -0.19 0.48 -1.21 -0.36 0.00 0.00 175.35 174.07 3aaz s GLU 6 N 1.32 3.88 0.23 4.03 8.01 -1.26 -1.53 118.70 133.39 3aaz s GLU 6 Ca -0.06 0.35 -0.08 0.00 0.01 0.00 0.00 54.97 55.20 3aaz s GLU 6 Cb -0.13 -2.98 -0.02 0.00 -4.31 0.00 0.00 34.13 26.69 3aaz s GLU 6 CO -0.03 0.53 0.34 -1.54 0.01 0.00 0.00 175.26 174.57 3aaz s SER 7 N -1.68 0.05 0.00 -0.19 1.04 -0.34 -4.82 113.70 107.76 3aaz s SER 7 Ca 0.35 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3aaz s SER 7 Cb -0.15 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3aaz s SER 7 CO 0.18 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3aaz n GLY 8 N -0.35 -0.19 3.77 7.32 0.00 -1.26 -0.98 105.19 113.51 3aaz n GLY 8 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 3aaz n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3aaz s PRO 9 N -1.93 3.77 0.12 1.61 0.02 -1.26 -4.92 135.00 132.41 3aaz s PRO 9 Ca 0.00 1.73 0.22 0.00 0.02 0.00 0.00 61.00 62.97 3aaz s PRO 9 Cb 0.00 -2.39 -0.11 0.00 0.02 0.00 0.00 34.50 32.03 3aaz s PRO 9 CO 0.00 -0.53 0.86 -2.37 -0.33 0.00 0.00 177.00 174.64 3aaz n THR 10 N -0.51 0.40 -3.86 0.99 5.66 -1.26 -4.75 114.28 110.95 3aaz n THR 10 Ca 0.07 -0.52 -0.16 0.00 -3.05 0.00 0.00 64.05 60.40 3aaz n THR 10 Cb 0.48 -0.20 -0.16 0.00 -1.55 0.00 0.00 70.33 68.90 3aaz n THR 10 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3aaz s LEU 11 N -5.01 1.15 -0.04 1.09 2.96 -1.26 -1.58 118.68 115.99 3aaz s LEU 11 Ca -0.03 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3aaz s LEU 11 Cb 0.11 -0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.68 3aaz s LEU 11 CO 0.83 -0.11 0.01 0.54 -1.32 0.00 0.00 176.35 176.30 3aaz s VAL 12 N 1.01 0.17 0.43 1.68 0.11 -0.62 -4.99 120.40 118.18 3aaz s VAL 12 Ca -0.09 0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 3aaz s VAL 12 Cb -0.13 -0.29 -0.08 0.00 -1.53 0.00 0.00 36.38 34.35 3aaz s VAL 12 CO -0.02 0.16 1.18 -0.54 -3.33 0.00 0.00 175.10 172.55 3aaz s LYS 13 N 1.25 3.91 0.36 1.54 1.02 -1.26 -1.47 119.74 125.08 3aaz s LYS 13 Ca -0.07 1.84 -0.28 0.00 0.02 0.00 0.00 55.97 57.49 3aaz s LYS 13 Cb -0.13 -2.57 -0.12 0.00 -0.52 0.00 0.00 37.83 34.49 3aaz s LYS 13 CO -0.02 -0.44 1.35 -2.30 -0.92 0.00 0.00 175.35 173.01 3aaz n PRO 14 N -0.17 2.28 0.00 -1.68 -0.02 -1.26 -1.88 135.00 132.26 3aaz n PRO 14 Ca 0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3aaz n PRO 14 Cb 0.47 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3aaz n PRO 14 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3aaz n THR 15 N 0.33 0.00 -2.31 3.45 -1.04 0.18 -4.90 114.28 109.99 3aaz n THR 15 Ca 0.04 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.80 3aaz n THR 15 Cb 0.37 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.03 3aaz n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3aaz n GLN 16 N -2.00 -0.55 -4.65 -2.82 6.02 -0.79 -3.63 117.38 108.95 3aaz n GLN 16 Ca 0.00 -2.37 -0.33 0.00 -0.01 0.00 0.00 57.00 54.29 3aaz n GLN 16 Cb 0.00 -0.91 -0.13 0.00 1.02 0.00 0.00 30.24 30.22 3aaz n GLN 16 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3aaz s THR 17 N -3.31 3.48 -0.21 5.09 2.01 -1.26 -0.30 115.64 121.13 3aaz s THR 17 Ca 0.67 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3aaz s THR 17 Cb -0.03 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 3aaz s THR 17 CO 0.46 0.55 0.10 -0.22 -0.69 0.00 0.00 174.62 174.82 3aaz s LEU 18 N -0.22 3.85 -0.27 4.42 2.96 0.81 -4.94 118.68 125.28 3aaz s LEU 18 Ca 0.02 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3aaz s LEU 18 Cb -0.13 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.59 3aaz s LEU 18 CO 0.03 0.10 -0.03 0.42 -1.32 0.00 0.00 176.35 175.54 3aaz s THR 19 N 0.84 2.99 0.11 3.68 -4.23 -1.26 0.23 115.64 117.99 3aaz s THR 19 Ca 0.05 -1.12 0.07 0.00 -1.18 0.00 0.00 61.69 59.50 3aaz s THR 19 Cb -0.13 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3aaz s THR 19 CO 0.02 0.09 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.37 3aaz s LEU 20 N 1.31 3.18 0.04 4.79 1.02 0.88 -4.24 118.68 125.66 3aaz s LEU 20 Ca -0.02 -0.33 0.06 0.00 0.02 0.00 0.00 54.13 53.87 3aaz s LEU 20 Cb -0.18 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 3aaz s LEU 20 CO -0.03 0.17 -0.19 -0.89 0.02 0.00 0.00 176.35 175.43 3aaz s THR 21 N -1.29 1.50 -0.24 5.49 2.01 -0.15 -0.88 115.64 122.08 3aaz s THR 21 Ca 0.23 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3aaz s THR 21 Cb -0.11 -1.31 0.06 0.00 0.01 0.00 0.00 72.50 71.15 3aaz s THR 21 CO 0.15 0.17 -0.03 0.00 -0.69 0.00 0.00 174.62 174.22 3aaz s THR 23 N 1.42 5.22 0.10 0.00 2.01 -0.58 -1.93 115.64 121.89 3aaz s THR 23 Ca -0.04 0.58 0.06 0.00 0.31 0.00 0.00 61.69 62.61 3aaz s THR 23 Cb -0.19 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3aaz s THR 23 CO -0.08 0.59 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.03 3aaz s PHE 24 N -1.03 2.86 0.04 4.92 0.40 -1.05 -1.55 117.98 122.57 3aaz s PHE 24 Ca 0.20 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.43 3aaz s PHE 24 Cb -0.15 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3aaz s PHE 24 CO 0.09 0.46 -0.03 -1.12 0.70 0.00 0.00 175.22 175.32 3aaz s SER 25 N -2.29 0.41 0.00 1.36 0.01 -0.59 -4.89 113.70 107.71 3aaz s SER 25 Ca 0.24 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.69 3aaz s SER 25 Cb -0.11 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.28 3aaz s SER 25 CO 0.16 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.94 3aaz n GLY 26 N 0.68 1.14 3.83 3.44 0.00 -1.26 -2.26 105.19 110.77 3aaz n GLY 26 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3aaz n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3aaz s PHE 27 N -2.37 -0.04 -0.22 1.61 -0.71 -1.26 -4.77 117.98 110.22 3aaz s PHE 27 Ca 0.00 -0.52 0.02 0.00 -1.04 0.00 0.00 56.93 55.39 3aaz s PHE 27 Cb 0.00 0.77 0.04 0.00 -1.21 0.00 0.00 43.02 42.62 3aaz s PHE 27 CO 0.00 -1.40 -0.14 0.45 -1.34 0.00 0.00 175.22 172.79 3aaz s SER 28 N -2.99 3.75 0.25 1.98 0.15 -1.26 -4.98 113.70 110.59 3aaz s SER 28 Ca 0.13 -1.02 -0.30 0.00 0.70 0.00 0.00 55.95 55.47 3aaz s SER 28 Cb -0.06 -1.46 -0.10 0.00 -1.71 0.00 0.00 66.02 62.70 3aaz s SER 28 CO 0.09 -0.11 1.34 -0.76 1.20 0.00 0.00 173.24 175.00 3aaz s LEU 29 N 1.23 4.41 0.00 3.45 1.43 -1.26 -2.87 118.68 125.08 3aaz s LEU 29 Ca -0.02 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 3aaz s LEU 29 Cb -0.17 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3aaz s LEU 29 CO -0.09 -0.57 0.00 -1.14 0.23 0.00 0.00 176.35 174.78 3aaz n ARG 30 N 2.08 0.00 0.00 1.70 0.00 -1.26 -4.78 116.66 114.40 3aaz n ARG 30 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 3aaz n ARG 30 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 3aaz n ARG 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3aaz n THR 31 N 0.00 0.00 -4.06 5.15 -1.04 -1.14 -5.11 114.28 108.08 3aaz n THR 31 Ca 0.00 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 3aaz n THR 31 Cb 0.00 1.28 -0.04 0.00 -1.82 0.00 0.00 70.33 69.75 3aaz n THR 31 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3aaz s SER 32 N -0.05 5.79 0.00 8.00 1.04 -1.18 -5.02 113.70 122.27 3aaz s SER 32 Ca 0.00 -0.10 0.23 0.00 0.48 0.00 0.00 55.95 56.56 3aaz s SER 32 Cb 0.00 -1.57 1.02 0.00 0.10 0.00 0.00 66.02 65.57 3aaz s SER 32 CO 0.00 -0.00 1.70 0.54 0.98 0.00 0.00 173.24 176.46 3aaz n ARG 33 N -0.92 1.47 -2.20 4.02 5.12 -1.26 -4.82 116.66 118.07 3aaz n ARG 33 Ca -0.08 -0.70 -0.36 0.00 -1.93 0.00 0.00 57.85 54.78 3aaz n ARG 33 Cb 0.56 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 3aaz n ARG 33 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3aaz s VAL 34 N -1.91 3.00 0.50 1.55 -7.23 -1.26 -4.24 120.40 110.81 3aaz s VAL 34 Ca 0.34 0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 61.15 3aaz s VAL 34 Cb 0.18 -3.31 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 3aaz s VAL 34 CO 0.28 -0.08 0.78 -0.83 -0.31 0.00 0.00 175.10 174.94 3aaz s GLY 35 N -1.53 1.53 -0.03 2.32 0.00 -0.99 -3.38 107.32 105.25 3aaz s GLY 35 Ca 0.70 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 3aaz s GLY 35 CO 0.32 -0.51 0.04 0.14 0.00 0.00 0.00 173.10 173.09 3aaz s VAL 36 N -2.75 -0.08 0.25 1.40 1.01 -0.04 -1.63 120.40 118.56 3aaz s VAL 36 Ca 0.49 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.82 3aaz s VAL 36 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3aaz s VAL 36 CO 0.43 0.12 0.18 -0.44 0.00 0.00 0.00 175.10 175.39 3aaz s SER 37 N 1.41 5.46 -0.11 3.32 0.01 0.65 -0.70 113.70 123.74 3aaz s SER 37 Ca -0.05 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 56.94 3aaz s SER 37 Cb -0.13 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 3aaz s SER 37 CO -0.03 -0.03 -0.09 0.26 0.41 0.00 0.00 173.24 173.76 3aaz s TRP 38 N -2.13 2.89 0.04 2.43 0.52 -0.25 -1.23 118.94 121.20 3aaz s TRP 38 Ca 0.33 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.20 3aaz s TRP 38 Cb -0.08 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 3aaz s TRP 38 CO 0.25 0.05 -0.11 0.42 0.02 0.00 0.00 176.95 177.58 3aaz s ILE 39 N -0.15 0.81 0.10 2.03 1.09 0.24 -0.96 121.20 124.36 3aaz s ILE 39 Ca 0.01 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 58.65 3aaz s ILE 39 Cb -0.13 -0.78 -0.04 0.00 -1.06 0.00 0.00 42.46 40.45 3aaz s ILE 39 CO 0.03 -0.15 -0.11 0.00 -0.10 0.00 0.00 174.94 174.61 3aaz s ARG 40 N -1.22 0.88 -0.18 2.79 1.70 0.01 0.59 118.95 123.52 3aaz s ARG 40 Ca -0.03 -1.15 -0.04 0.00 -0.47 0.00 0.00 55.73 54.05 3aaz s ARG 40 Cb -0.08 -0.65 0.06 0.00 -0.57 0.00 0.00 34.95 33.71 3aaz s ARG 40 CO 0.01 0.11 0.06 -1.14 -1.08 0.00 0.00 175.30 173.26 3aaz s GLN 41 N -2.63 0.36 0.63 3.89 0.74 0.63 -0.16 119.66 123.12 3aaz s GLN 41 Ca 0.05 -0.24 -0.16 0.00 0.05 0.00 0.00 55.36 55.07 3aaz s GLN 41 Cb -0.04 -1.93 -0.02 0.00 1.10 0.00 0.00 33.01 32.12 3aaz s GLN 41 CO 0.01 -0.64 1.10 -2.14 -0.55 0.00 0.00 175.29 173.07 3aaz s PRO 42 N 2.00 3.00 0.29 1.67 0.02 -1.26 -0.79 135.00 139.93 3aaz s PRO 42 Ca 0.01 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 3aaz s PRO 42 Cb -0.16 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 3aaz s PRO 42 CO -0.08 -1.09 1.60 -2.30 -0.33 0.00 0.00 177.00 174.80 3aaz n PRO 43 N -2.18 2.72 -0.93 5.54 -0.02 -1.26 -1.22 135.00 137.66 3aaz n PRO 43 Ca 0.10 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3aaz n PRO 43 Cb 0.52 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3aaz n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3aaz n GLY 44 N 2.18 0.52 3.81 -1.23 0.00 -1.26 -5.00 105.19 104.21 3aaz n GLY 44 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3aaz n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aaz s LYS 45 N -0.46 2.27 0.77 1.61 -0.14 -0.35 -5.14 119.74 118.30 3aaz s LYS 45 Ca 0.00 -1.93 -0.12 0.00 -1.36 0.00 0.00 55.97 52.57 3aaz s LYS 45 Cb 0.00 -2.02 0.06 0.00 -1.68 0.00 0.00 37.83 34.18 3aaz s LYS 45 CO 0.00 -0.32 1.10 0.00 -0.76 0.00 0.00 175.35 175.37 3aaz s ALA 46 N -2.67 2.46 0.37 5.17 0.00 -1.26 -4.67 121.76 121.16 3aaz s ALA 46 Ca 0.36 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 3aaz s ALA 46 Cb 0.01 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 3aaz s ALA 46 CO 0.21 -1.56 1.19 -0.51 0.00 0.00 0.00 175.76 175.09 3aaz s LEU 47 N -5.64 4.30 -0.10 0.00 1.43 -1.26 -4.38 118.68 113.02 3aaz s LEU 47 Ca 0.60 2.41 0.01 0.00 -1.03 0.00 0.00 54.13 56.12 3aaz s LEU 47 Cb -0.13 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.22 3aaz s LEU 47 CO 0.53 -0.57 -0.12 -0.70 0.23 0.00 0.00 176.35 175.72 3aaz s GLU 48 N -2.07 1.88 0.26 1.70 2.12 0.77 -4.99 118.70 118.38 3aaz s GLU 48 Ca 0.53 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 3aaz s GLU 48 Cb -0.33 -1.69 -0.09 0.00 0.26 0.00 0.00 34.13 32.28 3aaz s GLU 48 CO 0.42 -0.12 1.11 -0.46 -0.54 0.00 0.00 175.26 175.67 3aaz s TRP 49 N 1.16 3.57 -0.10 5.30 -0.00 -1.26 -0.81 118.94 126.80 3aaz s TRP 49 Ca -0.04 1.66 -0.03 0.00 -0.00 0.00 0.00 56.10 57.69 3aaz s TRP 49 Cb -0.14 -3.30 -0.05 0.00 -0.00 0.00 0.00 33.47 29.98 3aaz s TRP 49 CO -0.03 -0.62 -0.11 1.28 -0.00 0.00 0.00 176.95 177.47 3aaz n LEU 50 N 1.45 1.47 -3.59 5.86 4.77 -0.14 -4.66 117.00 122.16 3aaz n LEU 50 Ca -0.00 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3aaz n LEU 50 Cb 0.45 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3aaz n LEU 50 CO 0.54 0.36 0.87 0.00 -1.33 0.00 0.00 177.39 177.83 3aaz s ALA 51 N -2.18 -1.98 0.01 -1.18 0.00 -1.17 -1.83 121.76 113.43 3aaz s ALA 51 Ca -0.13 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3aaz s ALA 51 Cb 0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3aaz s ALA 51 CO 0.19 -0.34 -0.02 -1.58 0.00 0.00 0.00 175.76 174.01 3aaz s HIS 52 N -1.30 0.18 -0.06 0.00 2.46 -0.60 -1.09 115.29 114.88 3aaz s HIS 52 Ca 0.02 -0.36 0.02 0.00 0.47 0.00 0.00 55.06 55.21 3aaz s HIS 52 Cb -0.01 -0.13 0.02 0.00 -0.13 0.00 0.00 32.58 32.33 3aaz s HIS 52 CO -0.02 -0.13 -0.09 -1.50 -2.47 0.00 0.00 174.74 170.53 3aaz s ILE 53 N -0.98 0.91 0.68 0.89 2.07 0.12 -1.55 121.20 123.34 3aaz s ILE 53 Ca -0.11 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 58.80 3aaz s ILE 53 Cb -0.07 -0.86 0.11 0.00 0.13 0.00 0.00 42.46 41.78 3aaz s ILE 53 CO -0.01 0.30 0.93 -0.31 -1.91 0.00 0.00 174.94 173.95 3aaz s TYR 54 N 0.72 1.59 0.53 3.50 1.51 -0.87 -0.86 117.35 123.47 3aaz s TYR 54 Ca -0.13 -0.38 0.28 0.00 -1.01 0.00 0.00 57.07 55.82 3aaz s TYR 54 Cb -0.15 -2.79 1.66 0.00 -0.11 0.00 0.00 41.96 40.57 3aaz s TYR 54 CO 0.02 -1.54 2.19 0.11 -1.11 0.00 0.00 175.55 175.22 3aaz h TRP 55 N -0.33 0.00 -0.01 2.71 5.08 -1.73 -2.52 115.95 119.16 3aaz h TRP 55 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.62 3aaz h TRP 55 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 3aaz h TRP 55 CO -0.03 0.04 -0.65 -0.40 -1.28 0.00 0.00 178.44 176.12 3aaz n ASP 56 N -3.84 1.25 0.00 0.11 3.85 -1.26 -4.93 116.55 111.73 3aaz n ASP 56 Ca -0.03 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 53.03 3aaz n ASP 56 Cb 0.13 0.60 0.00 0.00 -1.35 0.00 0.00 41.12 40.50 3aaz n ASP 56 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3aaz n ASP 57 N -0.92 -0.63 -4.72 -1.12 -0.08 -0.95 -5.07 116.55 103.06 3aaz n ASP 57 Ca 0.07 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.00 3aaz n ASP 57 Cb 0.38 -0.10 0.10 0.00 2.34 0.00 0.00 41.12 43.83 3aaz n ASP 57 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3aaz s ASP 58 N -2.13 4.11 -0.04 1.67 -1.08 -1.26 -4.85 116.67 113.09 3aaz s ASP 58 Ca 0.00 2.42 -0.08 0.00 -0.52 0.00 0.00 52.55 54.37 3aaz s ASP 58 Cb 0.00 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 38.88 3aaz s ASP 58 CO 0.00 -2.32 0.20 -0.54 0.52 0.00 0.00 175.17 173.03 3aaz s LYS 59 N -3.85 0.41 0.18 4.34 1.02 -1.26 -2.05 119.74 118.52 3aaz s LYS 59 Ca 0.76 -0.05 0.08 0.00 0.02 0.00 0.00 55.97 56.77 3aaz s LYS 59 Cb -0.31 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 3aaz s LYS 59 CO 0.45 -0.09 -0.16 1.03 -0.92 0.00 0.00 175.35 175.67 3aaz s ARG 60 N -0.70 1.27 -0.05 1.68 1.81 -0.60 -4.99 118.95 117.39 3aaz s ARG 60 Ca -0.08 -1.48 -0.06 0.00 -1.72 0.00 0.00 55.73 52.40 3aaz s ARG 60 Cb -0.04 -1.18 0.01 0.00 -0.45 0.00 0.00 34.95 33.29 3aaz s ARG 60 CO 0.01 0.22 0.15 0.71 -0.68 0.00 0.00 175.30 175.71 3aaz s TYR 61 N -2.52 -0.12 -0.17 -0.53 2.02 -1.26 -1.55 117.35 113.22 3aaz s TYR 61 Ca 0.18 0.29 -0.32 0.00 -0.37 0.00 0.00 57.07 56.86 3aaz s TYR 61 Cb -0.03 0.03 -0.09 0.00 -0.40 0.00 0.00 41.96 41.47 3aaz s TYR 61 CO 0.06 -0.12 2.07 -1.71 -1.57 0.00 0.00 175.55 174.28 3aaz n ASN 62 N 2.68 3.22 -0.37 2.29 2.85 -0.76 -4.86 115.26 120.30 3aaz n ASN 62 Ca -0.15 0.60 0.29 0.00 -0.11 0.00 0.00 54.58 55.21 3aaz n ASN 62 Cb 0.58 -1.43 0.55 0.00 1.24 0.00 0.00 39.78 40.73 3aaz n ASN 62 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3aaz h PRO 63 N 11.95 0.23 -0.01 1.20 0.10 -1.96 0.11 132.00 143.63 3aaz h PRO 63 Ca -0.42 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.67 3aaz h PRO 63 Cb 1.27 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.32 3aaz h PRO 63 CO 0.97 0.15 -0.00 -1.13 0.10 0.00 0.00 178.00 178.09 3aaz n SER 64 N -4.82 0.87 0.00 -2.05 3.41 -1.26 -3.65 113.62 106.12 3aaz n SER 64 Ca 0.32 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3aaz n SER 64 Cb 1.14 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 3aaz n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3aaz n LEU 65 N -0.33 0.22 -0.32 1.04 4.77 0.21 -4.89 117.00 117.70 3aaz n LEU 65 Ca 0.21 -0.30 0.03 0.00 -0.03 0.00 0.00 56.01 55.91 3aaz n LEU 65 Cb 0.25 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3aaz n LEU 65 CO 0.17 0.06 0.54 1.17 -1.33 0.00 0.00 177.39 178.00 3aaz n LYS 66 N -0.16 -0.13 0.32 3.23 4.81 -0.21 -0.57 118.16 125.45 3aaz n LYS 66 Ca 0.00 1.34 0.20 0.00 -0.87 0.00 0.00 58.31 58.98 3aaz n LYS 66 Cb 0.09 -2.00 1.06 0.00 0.02 0.00 0.00 35.03 34.20 3aaz n LYS 66 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3aaz h SER 67 N 0.00 0.00 -0.02 3.14 4.64 -1.88 -1.70 113.55 117.73 3aaz h SER 67 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3aaz h SER 67 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3aaz h SER 67 CO -0.88 0.01 -0.03 -2.11 -0.87 0.00 0.00 176.83 172.96 3aaz n ARG 68 N -3.29 1.08 -4.42 4.77 1.85 0.27 -4.99 116.66 111.93 3aaz n ARG 68 Ca -0.02 -1.29 -0.34 0.00 -1.00 0.00 0.00 57.85 55.19 3aaz n ARG 68 Cb 0.12 -1.27 -0.10 0.00 -1.05 0.00 0.00 32.46 30.16 3aaz n ARG 68 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3aaz s LEU 69 N -1.27 3.44 -0.06 2.89 1.43 -0.64 -1.67 118.68 122.81 3aaz s LEU 69 Ca 0.16 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3aaz s LEU 69 Cb 0.12 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.52 3aaz s LEU 69 CO 0.20 0.34 -0.03 -0.89 0.23 0.00 0.00 176.35 176.20 3aaz s THR 70 N -0.93 0.49 -0.11 5.49 2.01 -0.43 -4.94 115.64 117.23 3aaz s THR 70 Ca 0.15 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 3aaz s THR 70 Cb -0.11 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 3aaz s THR 70 CO 0.05 0.25 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.71 3aaz s ILE 71 N 1.44 4.20 0.29 1.82 2.07 -1.26 -0.95 121.20 128.81 3aaz s ILE 71 Ca -0.03 -0.28 -0.04 0.00 -1.41 0.00 0.00 60.65 58.90 3aaz s ILE 71 Cb -0.13 -2.79 -0.01 0.00 0.13 0.00 0.00 42.46 39.66 3aaz s ILE 71 CO -0.03 0.57 0.38 -0.94 -1.91 0.00 0.00 174.94 173.01 3aaz s SER 72 N -0.50 0.60 0.06 4.50 1.04 0.06 -4.97 113.70 114.50 3aaz s SER 72 Ca 0.08 -1.36 0.06 0.00 0.48 0.00 0.00 55.95 55.21 3aaz s SER 72 Cb -0.12 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3aaz s SER 72 CO 0.02 -1.14 -0.17 -0.75 0.98 0.00 0.00 173.24 172.19 3aaz s LYS 73 N -3.56 1.01 -0.35 4.02 2.20 -1.26 -0.08 119.74 121.72 3aaz s LYS 73 Ca 0.32 -0.94 -0.00 0.00 -0.36 0.00 0.00 55.97 54.98 3aaz s LYS 73 Cb 0.01 -1.09 0.12 0.00 -1.51 0.00 0.00 37.83 35.36 3aaz s LYS 73 CO 0.17 0.26 0.18 0.34 -0.36 0.00 0.00 175.35 175.94 3aaz s ASP 74 N -1.51 3.45 0.09 1.43 -1.08 -0.71 -4.94 116.67 113.39 3aaz s ASP 74 Ca 0.02 -2.00 0.28 0.00 -0.52 0.00 0.00 52.55 50.33 3aaz s ASP 74 Cb -0.09 -0.63 1.06 0.00 -1.46 0.00 0.00 42.92 41.80 3aaz s ASP 74 CO 0.02 -0.35 1.87 0.35 0.52 0.00 0.00 175.17 177.58 3aaz n THR 75 N 4.33 0.25 0.16 1.71 -2.24 -1.26 -0.61 114.28 116.62 3aaz n THR 75 Ca 0.05 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 3aaz n THR 75 Cb 0.38 -0.54 0.09 0.00 -2.10 0.00 0.00 70.33 68.16 3aaz n THR 75 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3aaz h SER 76 N 0.00 0.00 -0.26 3.42 4.64 -1.94 -3.00 113.55 116.40 3aaz h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3aaz h SER 76 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3aaz h SER 76 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 3aaz n LYS 77 N -2.93 2.24 -3.12 4.77 5.02 -1.09 -5.00 118.16 118.06 3aaz n LYS 77 Ca 0.02 -1.82 -0.22 0.00 -2.02 0.00 0.00 58.31 54.27 3aaz n LYS 77 Cb 0.56 -1.26 0.01 0.00 -0.02 0.00 0.00 35.03 34.32 3aaz n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3aaz n ASN 78 N 0.57 -4.85 -4.73 4.39 5.15 -0.53 -4.81 115.26 110.44 3aaz n ASN 78 Ca 0.10 -0.29 -0.24 0.00 -0.60 0.00 0.00 54.58 53.55 3aaz n ASN 78 Cb 0.39 -3.97 -0.07 0.00 -0.53 0.00 0.00 39.78 35.60 3aaz n ASN 78 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3aaz s GLN 79 N -5.78 2.24 -0.04 1.20 -0.21 0.22 -2.53 119.66 114.77 3aaz s GLN 79 Ca 0.32 -1.78 0.01 0.00 0.02 0.00 0.00 55.36 53.93 3aaz s GLN 79 Cb -0.16 -2.02 0.02 0.00 1.00 0.00 0.00 33.01 31.85 3aaz s GLN 79 CO 0.39 -0.06 -0.04 0.08 -2.12 0.00 0.00 175.29 173.55 3aaz s VAL 80 N -2.56 0.45 0.08 1.09 1.01 -0.81 -1.74 120.40 117.92 3aaz s VAL 80 Ca 0.40 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3aaz s VAL 80 Cb 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3aaz s VAL 80 CO 0.22 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.71 3aaz s VAL 81 N 0.85 3.23 -0.08 2.92 1.01 0.89 -1.68 120.40 127.54 3aaz s VAL 81 Ca -0.11 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.71 3aaz s VAL 81 Cb -0.14 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3aaz s VAL 81 CO -0.00 0.20 -0.19 -0.22 0.00 0.00 0.00 175.10 174.90 3aaz s LEU 82 N -1.91 1.89 -0.09 3.92 2.96 -0.05 -0.76 118.68 124.63 3aaz s LEU 82 Ca 0.19 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3aaz s LEU 82 Cb -0.11 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 3aaz s LEU 82 CO 0.11 0.10 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.18 3aaz s THR 83 N 0.49 2.74 -0.14 3.68 2.01 -0.13 -0.09 115.64 124.21 3aaz s THR 83 Ca -0.17 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 3aaz s THR 83 Cb -0.17 -2.09 0.05 0.00 0.01 0.00 0.00 72.50 70.29 3aaz s THR 83 CO 0.06 0.55 0.02 -0.32 -0.69 0.00 0.00 174.62 174.25 3aaz s MET 84 N -0.00 0.63 0.47 4.92 1.75 0.14 -1.31 119.30 125.90 3aaz s MET 84 Ca -0.05 -0.19 -0.02 0.00 -1.25 0.00 0.00 55.69 54.18 3aaz s MET 84 Cb -0.15 -1.63 -0.01 0.00 2.84 0.00 0.00 34.83 35.89 3aaz s MET 84 CO 0.05 -0.50 0.72 0.95 -0.65 0.00 0.00 175.02 175.59 3aaz s THR 85 N 1.91 4.18 -1.20 10.11 -4.23 -0.67 -0.14 115.64 125.61 3aaz s THR 85 Ca 0.02 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.14 3aaz s THR 85 Cb -0.15 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 3aaz s THR 85 CO -0.07 -0.46 0.76 0.59 -0.54 0.00 0.00 174.62 174.90 3aaz n ASN 86 N -2.17 -3.71 -4.71 3.99 4.13 -1.08 -4.88 115.26 106.83 3aaz n ASN 86 Ca 0.01 -0.89 -0.39 0.00 1.68 0.00 0.00 54.58 54.99 3aaz n ASN 86 Cb 0.57 -3.93 0.04 0.00 -1.54 0.00 0.00 39.78 34.91 3aaz n ASN 86 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3aaz n MET 87 N -4.06 1.63 -4.22 3.52 2.81 0.58 -4.57 117.12 112.81 3aaz n MET 87 Ca -0.18 0.60 -0.17 0.00 -1.81 0.00 0.00 57.70 56.13 3aaz n MET 87 Cb 0.63 -2.46 -0.13 0.00 -0.71 0.00 0.00 33.22 30.56 3aaz n MET 87 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3aaz s ASP 88 N -0.86 1.34 0.44 7.83 -1.08 -1.26 0.49 116.67 123.57 3aaz s ASP 88 Ca 0.69 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 52.52 3aaz s ASP 88 Cb -0.44 -0.05 1.30 0.00 -1.46 0.00 0.00 42.92 42.27 3aaz s ASP 88 CO 0.51 -0.05 1.73 -0.65 0.52 0.00 0.00 175.17 177.23 3aaz h PRO 89 N 4.82 0.21 0.00 4.34 0.11 -1.96 0.43 132.00 139.94 3aaz h PRO 89 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3aaz h PRO 89 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3aaz h PRO 89 CO 0.43 0.14 0.00 1.55 -0.21 0.00 0.00 178.00 179.91 3aaz n VAL 90 N -4.54 0.84 1.17 3.15 3.14 -1.26 -1.57 118.33 119.26 3aaz n VAL 90 Ca 0.29 0.21 0.13 0.00 -2.96 0.00 0.00 64.34 62.01 3aaz n VAL 90 Cb 1.14 -1.05 0.23 0.00 -1.06 0.00 0.00 33.84 33.11 3aaz n VAL 90 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3aaz n ASP 91 N -1.31 2.29 -4.67 6.55 8.00 0.15 -4.91 116.55 122.65 3aaz n ASP 91 Ca 0.04 -1.71 -0.43 0.00 0.71 0.00 0.00 54.79 53.40 3aaz n ASP 91 Cb 0.08 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3aaz n ASP 91 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3aaz n THR 92 N 0.69 0.57 -3.75 -3.53 -1.04 -0.61 -4.89 114.28 101.72 3aaz n THR 92 Ca 0.15 -0.10 -0.01 0.00 -2.04 0.00 0.00 64.05 62.04 3aaz n THR 92 Cb 0.49 -2.16 -0.00 0.00 -1.82 0.00 0.00 70.33 66.85 3aaz n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3aaz s ALA 93 N 3.67 -1.92 -0.04 2.41 0.00 0.39 -4.43 121.76 121.85 3aaz s ALA 93 Ca 0.87 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 3aaz s ALA 93 Cb -0.50 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3aaz s ALA 93 CO 0.42 -1.06 0.63 0.99 0.00 0.00 0.00 175.76 176.73 3aaz s THR 94 N -2.67 5.00 -0.15 0.00 2.01 0.03 -0.12 115.64 119.74 3aaz s THR 94 Ca 0.16 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.44 3aaz s THR 94 Cb 0.01 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3aaz s THR 94 CO 0.00 0.33 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.89 3aaz s TYR 95 N 0.35 2.95 0.04 4.92 2.02 0.07 -0.27 117.35 127.42 3aaz s TYR 95 Ca 0.33 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3aaz s TYR 95 Cb -0.18 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3aaz s TYR 95 CO 0.17 -0.10 -0.18 0.71 -1.57 0.00 0.00 175.55 174.57 3aaz s TYR 96 N 0.37 2.55 -0.01 2.71 2.02 0.20 -1.63 117.35 123.56 3aaz s TYR 96 Ca -0.06 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3aaz s TYR 96 Cb -0.15 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 3aaz s TYR 96 CO 0.04 0.24 0.10 0.00 -1.57 0.00 0.00 175.55 174.35 3aaz s ALA 98 N -1.21 0.48 -0.03 0.00 0.00 -0.36 -1.27 121.76 119.35 3aaz s ALA 98 Ca 0.23 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 3aaz s ALA 98 Cb -0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3aaz s ALA 98 CO 0.15 0.11 0.32 0.50 0.00 0.00 0.00 175.76 176.84 3aaz s ARG 99 N -0.17 3.76 -0.45 0.00 3.52 -0.34 -0.25 118.95 125.02 3aaz s ARG 99 Ca 0.02 0.24 -0.11 0.00 -0.13 0.00 0.00 55.73 55.75 3aaz s ARG 99 Cb -0.02 -3.21 0.09 0.00 -1.56 0.00 0.00 34.95 30.25 3aaz s ARG 99 CO -0.00 0.72 0.33 0.50 -0.81 0.00 0.00 175.30 176.03 3aaz s ARG 100 N -1.09 2.66 0.40 5.12 3.52 -0.64 -0.99 118.95 127.93 3aaz s ARG 100 Ca 0.21 -1.55 0.04 0.00 -0.13 0.00 0.00 55.73 54.30 3aaz s ARG 100 Cb -0.15 -3.93 -0.00 0.00 -1.56 0.00 0.00 34.95 29.31 3aaz s ARG 100 CO 0.11 -1.07 0.57 0.20 -0.81 0.00 0.00 175.30 174.30 3aaz s GLY 101 N 2.49 1.62 0.12 8.12 0.00 -0.21 -2.35 107.32 117.11 3aaz s GLY 101 Ca 0.04 -1.31 0.09 0.00 0.00 0.00 0.00 44.72 43.54 3aaz s GLY 101 CO 0.02 -1.17 -0.17 -1.36 0.00 0.00 0.00 173.10 170.42 3aaz s PHE 102 N -2.37 2.56 -0.08 1.90 0.08 -1.26 -2.57 117.98 116.24 3aaz s PHE 102 Ca 0.48 -0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.23 3aaz s PHE 102 Cb -0.10 -1.36 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3aaz s PHE 102 CO 0.34 0.39 0.19 0.71 -0.10 0.00 0.00 175.22 176.75 3aaz s TYR 103 N -1.15 -0.23 0.00 0.36 1.51 0.94 -4.98 117.35 113.80 3aaz s TYR 103 Ca 0.18 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 3aaz s TYR 103 Cb -0.11 0.02 0.00 0.00 -0.11 0.00 0.00 41.96 41.77 3aaz s TYR 103 CO 0.10 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 174.80 3aaz n GLY 104 N 3.64 2.72 0.28 0.71 0.00 -1.26 -1.56 105.19 109.73 3aaz n GLY 104 Ca -0.20 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 3aaz n GLY 104 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3aaz h ARG 105 N 0.00 -0.66 -7.17 1.61 2.43 -2.02 -3.38 114.38 105.19 3aaz h ARG 105 Ca 0.00 0.05 -0.50 0.00 -0.81 0.00 0.00 59.98 58.71 3aaz h ARG 105 Cb 0.00 0.15 0.09 0.00 -0.42 0.00 0.00 29.97 29.79 3aaz h ARG 105 CO 0.00 -0.44 0.39 0.15 -1.51 0.00 0.00 179.97 178.56 3aaz s LYS 106 N -4.58 3.02 -0.16 0.20 3.01 -1.26 -4.88 119.74 115.08 3aaz s LYS 106 Ca -0.10 1.42 -0.02 0.00 -1.01 0.00 0.00 55.97 56.25 3aaz s LYS 106 Cb 0.01 -1.98 0.01 0.00 -1.01 0.00 0.00 37.83 34.87 3aaz s LYS 106 CO 0.32 -1.08 2.50 0.66 0.51 0.00 0.00 175.35 178.26 3aaz n TYR 107 N -2.08 0.70 0.16 3.18 4.01 -1.26 -4.79 117.16 117.08 3aaz n TYR 107 Ca 0.10 -1.54 0.19 0.00 -0.16 0.00 0.00 57.90 56.49 3aaz n TYR 107 Cb 0.52 -1.02 0.78 0.00 -0.31 0.00 0.00 39.34 39.30 3aaz n TYR 107 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3aaz h GLU 108 N 1.91 0.00 -3.65 -0.72 3.07 -1.77 -3.43 114.58 109.99 3aaz h GLU 108 Ca 0.19 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.77 3aaz h GLU 108 Cb 1.05 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.64 3aaz h GLU 108 CO 0.41 0.00 -0.73 0.08 -1.40 0.00 0.00 179.01 177.37 3aaz s VAL 109 N -4.54 0.01 0.02 3.13 1.01 -0.60 -4.99 120.40 114.45 3aaz s VAL 109 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3aaz s VAL 109 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.41 3aaz s VAL 109 CO 0.50 0.07 0.00 0.54 0.00 0.00 0.00 175.10 176.22 3aaz s ASN 110 N 0.66 0.24 -0.27 3.32 2.20 -1.26 -0.04 114.94 119.79 3aaz s ASN 110 Ca -0.06 -0.52 -0.37 0.00 -0.94 0.00 0.00 52.86 50.97 3aaz s ASN 110 Cb -0.08 0.14 0.16 0.00 -2.00 0.00 0.00 41.25 39.46 3aaz s ASN 110 CO -0.02 -0.36 1.34 -1.38 -2.94 0.00 0.00 177.10 173.74 3aaz s HIS 111 N -1.85 -0.04 0.29 1.54 -3.43 -1.06 -4.98 115.29 105.76 3aaz s HIS 111 Ca -0.12 0.03 -0.29 0.00 -0.80 0.00 0.00 55.06 53.87 3aaz s HIS 111 Cb -0.07 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.49 3aaz s HIS 111 CO -0.02 -0.06 1.16 -0.06 -2.00 0.00 0.00 174.74 173.76 3aaz s PHE 112 N -2.07 3.42 0.00 0.38 0.08 -1.26 -1.05 117.98 117.48 3aaz s PHE 112 Ca 0.11 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.77 3aaz s PHE 112 Cb -0.01 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 3aaz s PHE 112 CO -0.03 -0.95 0.00 -0.40 -0.10 0.00 0.00 175.22 173.74 3aaz n ASP 113 N 1.13 0.00 -4.80 1.36 3.85 -0.16 -4.88 116.55 113.04 3aaz n ASP 113 Ca -0.01 0.00 -0.39 0.00 -0.71 0.00 0.00 54.79 53.69 3aaz n ASP 113 Cb 0.44 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.15 3aaz n ASP 113 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3aaz s TYR 114 N -0.96 3.77 0.23 2.11 2.02 -1.25 -4.92 117.35 118.35 3aaz s TYR 114 Ca 0.00 1.21 0.11 0.00 -0.37 0.00 0.00 57.07 58.03 3aaz s TYR 114 Cb 0.00 -2.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.03 3aaz s TYR 114 CO 0.00 0.55 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.74 3aaz s TRP 115 N -0.93 2.33 1.12 2.71 0.52 -1.26 -1.20 118.94 122.23 3aaz s TRP 115 Ca 0.28 -0.33 -0.18 0.00 0.02 0.00 0.00 56.10 55.89 3aaz s TRP 115 Cb -0.19 -1.09 0.26 0.00 -1.15 0.00 0.00 33.47 31.30 3aaz s TRP 115 CO 0.18 0.59 1.20 0.20 0.02 0.00 0.00 176.95 179.14 3aaz s GLY 116 N -3.04 1.67 0.44 0.98 0.00 -0.40 -4.66 107.32 102.31 3aaz s GLY 116 Ca 0.25 -1.09 0.29 0.00 0.00 0.00 0.00 44.72 44.17 3aaz s GLY 116 CO 0.12 -0.23 1.83 0.06 0.00 0.00 0.00 173.10 174.88 3aaz h GLN 117 N -2.24 0.00 0.00 2.90 3.07 -1.93 -3.46 115.11 113.45 3aaz h GLN 117 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 3aaz h GLN 117 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 3aaz h GLN 117 CO 0.34 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.67 3aaz n GLY 118 N 0.40 1.74 2.93 0.06 0.00 -1.26 -5.05 105.19 104.01 3aaz n GLY 118 Ca 0.02 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 3aaz n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3aaz s THR 119 N -2.96 0.25 -0.16 2.61 -1.32 -0.64 -4.76 115.64 108.66 3aaz s THR 119 Ca 0.00 -0.17 -0.18 0.00 -1.21 0.00 0.00 61.69 60.13 3aaz s THR 119 Cb 0.00 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 3aaz s THR 119 CO 0.00 0.05 0.46 -0.89 -2.21 0.00 0.00 174.62 172.03 3aaz s THR 120 N -0.14 5.17 -0.06 5.08 2.01 -1.26 -0.75 115.64 125.70 3aaz s THR 120 Ca 0.01 0.89 0.04 0.00 0.31 0.00 0.00 61.69 62.94 3aaz s THR 120 Cb -0.02 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 3aaz s THR 120 CO -0.00 0.27 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.32 3aaz s VAL 121 N 1.02 1.62 -0.05 3.82 1.01 0.83 -4.41 120.40 124.24 3aaz s VAL 121 Ca 0.24 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3aaz s VAL 121 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3aaz s VAL 121 CO 0.09 0.46 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 3aaz s THR 122 N 0.10 1.28 -0.33 3.92 2.01 -0.62 -0.46 115.64 121.55 3aaz s THR 122 Ca -0.07 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 3aaz s THR 122 Cb -0.13 -1.12 0.04 0.00 0.01 0.00 0.00 72.50 71.30 3aaz s THR 122 CO 0.04 0.38 0.08 -0.69 -0.69 0.00 0.00 174.62 173.73 3aaz s VAL 123 N 0.21 3.59 -0.07 3.82 1.01 -1.26 -1.59 120.40 126.10 3aaz s VAL 123 Ca -0.06 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 3aaz s VAL 123 Cb -0.12 -3.03 0.10 0.00 0.00 0.00 0.00 36.38 33.32 3aaz s VAL 123 CO 0.02 -0.15 0.83 -0.55 0.00 0.00 0.00 175.10 175.25 3aaz s SER 124 N 1.37 -0.50 0.07 3.32 0.15 -0.54 -4.49 113.70 113.08 3aaz s SER 124 Ca -0.02 0.44 0.27 0.00 0.70 0.00 0.00 55.95 57.33 3aaz s SER 124 Cb -0.19 0.43 1.05 0.00 -1.71 0.00 0.00 66.02 65.59 3aaz s SER 124 CO 0.02 -0.53 1.83 -1.54 1.20 0.00 0.00 173.24 174.22 3aaz n SER 125 N 0.58 0.26 -4.80 5.45 3.41 -1.26 -4.01 113.62 113.26 3aaz n SER 125 Ca -0.14 0.53 -0.34 0.00 -0.26 0.00 0.00 58.87 58.66 3aaz n SER 125 Cb 0.59 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 3aaz n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aaz s ALA 126 N -3.04 2.87 0.67 7.33 0.00 -1.26 -5.04 121.76 123.29 3aaz s ALA 126 Ca 0.12 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 3aaz s ALA 126 Cb 0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3aaz s ALA 126 CO 0.52 -0.33 1.05 -1.12 0.00 0.00 0.00 175.76 175.88 3aaz s SER 127 N -2.06 5.71 0.37 0.00 0.01 -1.26 -5.01 113.70 111.46 3aaz s SER 127 Ca 0.67 1.44 -0.26 0.00 1.31 0.00 0.00 55.95 59.11 3aaz s SER 127 Cb -0.16 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 3aaz s SER 127 CO 0.21 -1.21 1.09 -0.89 0.41 0.00 0.00 173.24 172.86 3aaz s THR 128 N -3.16 3.50 -0.19 1.44 2.01 -1.26 -4.71 115.64 113.28 3aaz s THR 128 Ca 0.57 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.73 3aaz s THR 128 Cb -0.12 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.74 3aaz s THR 128 CO 0.54 0.12 0.46 -0.75 -0.69 0.00 0.00 174.62 174.30 3aaz s LYS 129 N -2.18 0.45 0.52 4.92 2.20 -0.42 -4.95 119.74 120.28 3aaz s LYS 129 Ca 0.54 0.86 -0.19 0.00 -0.36 0.00 0.00 55.97 56.83 3aaz s LYS 129 Cb -0.27 0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 35.99 3aaz s LYS 129 CO 0.34 -0.16 1.05 0.20 -0.36 0.00 0.00 175.35 176.43 3aaz s GLY 130 N 1.42 2.40 0.50 5.54 0.00 -1.26 -1.14 107.32 114.78 3aaz s GLY 130 Ca -0.09 0.56 -0.18 0.00 0.00 0.00 0.00 44.72 45.00 3aaz s GLY 130 CO -0.14 0.88 0.99 2.56 0.00 0.00 0.00 173.10 177.39 3aaz s PRO 131 N -3.51 3.91 -0.08 2.90 0.04 -1.26 -4.32 135.00 132.69 3aaz s PRO 131 Ca 0.67 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 3aaz s PRO 131 Cb -0.17 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3aaz s PRO 131 CO 0.26 -0.30 0.08 -1.12 0.04 0.00 0.00 177.00 175.95 3aaz s SER 132 N -2.73 5.79 -0.08 6.66 0.01 0.50 -4.94 113.70 118.90 3aaz s SER 132 Ca 0.61 0.27 0.03 0.00 1.31 0.00 0.00 55.95 58.17 3aaz s SER 132 Cb -0.11 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.39 3aaz s SER 132 CO 0.27 0.36 -0.18 -0.69 0.41 0.00 0.00 173.24 173.41 3aaz s VAL 133 N -1.02 1.56 0.03 3.43 1.01 -1.26 -0.78 120.40 123.36 3aaz s VAL 133 Ca 0.17 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3aaz s VAL 133 Cb -0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3aaz s VAL 133 CO 0.06 0.45 -0.11 -0.36 0.00 0.00 0.00 175.10 175.14 3aaz s PHE 134 N 0.54 0.95 0.36 5.22 0.08 0.17 -4.96 117.98 120.34 3aaz s PHE 134 Ca -0.16 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.31 3aaz s PHE 134 Cb -0.17 -0.57 -0.09 0.00 -0.57 0.00 0.00 43.02 41.62 3aaz s PHE 134 CO 0.06 -0.00 1.13 -1.25 -0.10 0.00 0.00 175.22 175.05 3aaz s PRO 135 N -0.94 4.27 -0.70 0.24 0.04 -1.26 0.13 135.00 136.78 3aaz s PRO 135 Ca -0.00 1.77 -0.07 0.00 0.04 0.00 0.00 61.00 62.73 3aaz s PRO 135 Cb -0.07 -2.82 0.18 0.00 0.04 0.00 0.00 34.50 31.84 3aaz s PRO 135 CO 0.01 -0.11 0.57 -0.51 0.04 0.00 0.00 177.00 177.00 3aaz s LEU 136 N -2.18 5.84 0.10 -3.56 1.43 0.62 -4.75 118.68 116.19 3aaz s LEU 136 Ca 0.53 -2.77 -0.31 0.00 -1.03 0.00 0.00 54.13 50.55 3aaz s LEU 136 Cb -0.29 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 3aaz s LEU 136 CO 0.37 -0.46 1.26 0.00 0.23 0.00 0.00 176.35 177.76 3aaz s ALA 137 N 0.06 3.47 0.30 4.21 0.00 -1.26 -1.85 121.76 126.69 3aaz s ALA 137 Ca 0.17 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3aaz s ALA 137 Cb -0.17 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 3aaz s ALA 137 CO -0.05 -0.49 1.36 -1.25 0.00 0.00 0.00 175.76 175.33 3aaz s PRO 138 N 0.86 4.32 0.36 0.00 0.04 -1.26 -4.91 135.00 134.40 3aaz s PRO 138 Ca 0.60 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.89 3aaz s PRO 138 Cb -0.33 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 3aaz s PRO 138 CO 0.31 -0.28 0.45 -1.54 0.04 0.00 0.00 177.00 175.98 3aaz s SER 139 N -0.17 1.19 0.56 6.66 1.04 -1.26 -4.03 113.70 117.69 3aaz s SER 139 Ca 0.53 -1.59 0.24 0.00 0.48 0.00 0.00 55.95 55.60 3aaz s SER 139 Cb -0.41 0.66 1.55 0.00 0.10 0.00 0.00 66.02 67.93 3aaz s SER 139 CO 0.50 -1.29 2.18 0.77 0.98 0.00 0.00 173.24 176.38 3aaz h SER 140 N 2.08 0.00 1.10 7.02 4.64 -1.96 -2.21 113.55 124.22 3aaz h SER 140 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3aaz h SER 140 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3aaz h SER 140 CO 0.38 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.63 3aaz n LYS 141 N -4.16 0.22 -1.63 4.77 4.76 -1.26 -2.76 118.16 118.10 3aaz n LYS 141 Ca -0.02 0.30 -0.22 0.00 -2.87 0.00 0.00 58.31 55.51 3aaz n LYS 141 Cb 0.15 -1.82 0.07 0.00 -1.84 0.00 0.00 35.03 31.59 3aaz n LYS 141 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3aaz n SER 142 N -2.21 4.98 -3.98 4.39 3.41 -0.83 -5.01 113.62 114.36 3aaz n SER 142 Ca 0.04 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.75 3aaz n SER 142 Cb 0.33 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.63 3aaz n SER 142 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3aaz s THR 143 N -4.38 0.29 -0.22 6.66 2.01 -1.11 -0.11 115.64 118.78 3aaz s THR 143 Ca 0.52 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3aaz s THR 143 Cb 0.43 -0.35 0.07 0.00 0.01 0.00 0.00 72.50 72.67 3aaz s THR 143 CO 0.02 -0.26 0.52 -0.94 -0.69 0.00 0.00 174.62 173.28 3aaz s SER 144 N -0.98 -0.68 -1.02 3.53 1.04 0.11 -4.99 113.70 110.70 3aaz s SER 144 Ca -0.08 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.35 3aaz s SER 144 Cb -0.07 1.16 0.02 0.00 0.10 0.00 0.00 66.02 67.23 3aaz s SER 144 CO -0.00 -0.22 0.67 0.61 0.98 0.00 0.00 173.24 175.28 3aaz n GLY 145 N 4.49 -1.08 2.73 7.32 0.00 -1.26 -1.89 105.19 115.50 3aaz n GLY 145 Ca -0.20 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3aaz n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aaz n GLY 146 N -1.84 0.75 3.10 -0.02 0.00 -1.26 -5.01 105.19 100.90 3aaz n GLY 146 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 3aaz n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aaz s THR 147 N -3.09 1.32 0.00 2.61 2.01 -0.79 -2.67 115.64 115.03 3aaz s THR 147 Ca 0.00 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.44 3aaz s THR 147 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 3aaz s THR 147 CO 0.00 0.39 -0.22 0.00 -0.69 0.00 0.00 174.62 174.10 3aaz s ALA 148 N 0.24 1.82 -0.00 7.40 0.00 0.21 0.06 121.76 131.49 3aaz s ALA 148 Ca -0.07 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3aaz s ALA 148 Cb -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3aaz s ALA 148 CO 0.03 0.44 -0.02 0.00 0.00 0.00 0.00 175.76 176.20 3aaz s ALA 149 N -0.59 3.19 0.28 0.00 0.00 0.85 -0.21 121.76 125.27 3aaz s ALA 149 Ca 0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 3aaz s ALA 149 Cb -0.09 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 3aaz s ALA 149 CO -0.00 0.63 0.32 -0.48 0.00 0.00 0.00 175.76 176.23 3aaz s LEU 150 N -1.50 1.11 0.00 0.00 0.05 -0.70 -4.23 118.68 113.41 3aaz s LEU 150 Ca 0.19 -1.42 -0.26 0.00 0.05 0.00 0.00 54.13 52.68 3aaz s LEU 150 Cb -0.11 0.95 0.09 0.00 -2.05 0.00 0.00 46.19 45.06 3aaz s LEU 150 CO 0.09 -1.07 1.19 0.61 -0.55 0.00 0.00 176.35 176.63 3aaz n GLY 151 N -0.45 0.33 3.25 -3.48 0.00 -0.77 -0.66 105.19 103.41 3aaz n GLY 151 Ca 0.02 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 3aaz n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aaz s LEU 153 N -0.56 3.70 -0.24 0.00 2.96 0.12 -0.93 118.68 123.73 3aaz s LEU 153 Ca 0.09 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3aaz s LEU 153 Cb -0.09 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.64 3aaz s LEU 153 CO -0.01 -0.01 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.22 3aaz s VAL 154 N 1.49 2.46 0.00 1.68 1.01 0.68 -0.66 120.40 127.07 3aaz s VAL 154 Ca 0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3aaz s VAL 154 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3aaz s VAL 154 CO 0.06 0.15 0.05 -0.75 0.00 0.00 0.00 175.10 174.60 3aaz s LYS 155 N 1.23 0.31 -0.43 2.72 2.20 0.04 -0.42 119.74 125.38 3aaz s LYS 155 Ca -0.03 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.18 3aaz s LYS 155 Cb -0.17 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 3aaz s LYS 155 CO -0.06 -0.06 0.38 -0.25 -0.36 0.00 0.00 175.35 175.00 3aaz n ASP 156 N 1.89 -3.24 -4.39 1.43 10.43 0.06 -0.37 116.55 122.35 3aaz n ASP 156 Ca -0.21 -0.18 -0.24 0.00 2.57 0.00 0.00 54.79 56.73 3aaz n ASP 156 Cb 0.56 -1.97 -0.11 0.00 1.84 0.00 0.00 41.12 41.43 3aaz n ASP 156 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3aaz s TYR 157 N -3.11 2.10 -0.26 1.24 1.13 -1.15 -4.45 117.35 112.86 3aaz s TYR 157 Ca 0.17 -0.40 -0.22 0.00 -1.41 0.00 0.00 57.07 55.21 3aaz s TYR 157 Cb -0.07 -1.03 0.07 0.00 -1.10 0.00 0.00 41.96 39.83 3aaz s TYR 157 CO 0.24 0.45 0.68 0.12 -2.51 0.00 0.00 175.55 174.53 3aaz s PHE 158 N -1.93 -0.81 0.03 -3.49 5.36 -0.29 -0.02 117.98 116.83 3aaz s PHE 158 Ca 0.20 1.88 -0.00 0.00 -0.96 0.00 0.00 56.93 58.05 3aaz s PHE 158 Cb -0.07 0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 3aaz s PHE 158 CO 0.09 -0.40 0.04 -0.35 -1.46 0.00 0.00 175.22 173.15 3aaz n PRO 159 N 3.10 0.38 -1.48 10.12 -0.04 -1.26 -1.30 135.00 144.50 3aaz n PRO 159 Ca -0.15 -0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 62.85 3aaz n PRO 159 Cb 0.56 -0.03 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 3aaz n PRO 159 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3aaz n GLU 160 N -1.08 0.69 -3.68 0.54 4.07 -1.26 -4.76 120.64 115.16 3aaz n GLU 160 Ca 0.01 0.29 -0.20 0.00 -0.06 0.00 0.00 57.16 57.19 3aaz n GLU 160 Cb 0.02 -2.22 -0.03 0.00 -0.06 0.00 0.00 31.44 29.16 3aaz n GLU 160 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3aaz s PRO 161 N -3.12 2.80 -0.01 5.31 0.04 -1.26 -4.92 135.00 133.84 3aaz s PRO 161 Ca 0.75 -1.25 0.03 0.00 0.04 0.00 0.00 61.00 60.58 3aaz s PRO 161 Cb -0.37 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 3aaz s PRO 161 CO 0.48 0.04 -0.10 0.54 0.04 0.00 0.00 177.00 178.01 3aaz s VAL 162 N -2.29 3.41 -0.06 -0.36 0.11 -1.26 -4.52 120.40 115.43 3aaz s VAL 162 Ca 0.43 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 3aaz s VAL 162 Cb -0.07 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 3aaz s VAL 162 CO 0.28 0.46 -0.13 0.42 -3.33 0.00 0.00 175.10 172.80 3aaz s THR 163 N -0.90 3.21 -0.16 5.04 -4.23 -0.50 -5.01 115.64 113.09 3aaz s THR 163 Ca 0.15 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 3aaz s THR 163 Cb -0.11 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.50 3aaz s THR 163 CO 0.05 0.59 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.99 3aaz s VAL 164 N -0.69 0.96 0.57 2.29 1.01 -1.26 -1.08 120.40 122.22 3aaz s VAL 164 Ca 0.10 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3aaz s VAL 164 Cb -0.11 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.16 3aaz s VAL 164 CO 0.01 0.09 0.76 -0.94 0.00 0.00 0.00 175.10 175.01 3aaz s SER 165 N 1.69 5.04 -0.09 3.32 1.04 -0.92 -4.99 113.70 118.80 3aaz s SER 165 Ca 0.01 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.56 3aaz s SER 165 Cb -0.15 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.31 3aaz s SER 165 CO -0.07 -1.33 -0.13 0.26 0.98 0.00 0.00 173.24 172.95 3aaz s TRP 166 N -2.68 1.68 0.00 5.02 0.52 -1.26 -2.92 118.94 119.30 3aaz s TRP 166 Ca 0.59 -0.71 0.00 0.00 0.02 0.00 0.00 56.10 56.00 3aaz s TRP 166 Cb -0.05 -1.24 0.00 0.00 -1.15 0.00 0.00 33.47 31.03 3aaz s TRP 166 CO 0.37 -0.38 0.00 0.09 0.02 0.00 0.00 176.95 177.05 3aaz n ASN 167 N 4.07 -1.78 -3.08 2.95 3.02 -1.19 -0.90 115.26 118.34 3aaz n ASN 167 Ca -0.20 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.12 3aaz n ASN 167 Cb 0.51 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.23 3aaz n ASN 167 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3aaz n SER 168 N 1.48 -5.50 0.00 6.41 7.64 -1.26 -4.66 113.62 117.73 3aaz n SER 168 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.58 3aaz n SER 168 Cb 0.48 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 3aaz n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aaz n GLY 169 N -1.42 1.17 2.33 0.23 0.00 -1.26 -5.11 105.19 101.13 3aaz n GLY 169 Ca -0.09 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3aaz n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aaz n ALA 170 N 0.00 -0.51 -2.45 4.61 0.00 -1.21 -4.78 120.51 116.17 3aaz n ALA 170 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 3aaz n ALA 170 Cb 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 3aaz n ALA 170 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3aaz s LEU 171 N 2.68 2.55 0.00 0.00 1.98 -0.08 -4.93 118.68 120.88 3aaz s LEU 171 Ca 0.72 -0.77 0.00 0.00 -2.89 0.00 0.00 54.13 51.19 3aaz s LEU 171 Cb -0.98 -1.30 0.00 0.00 0.66 0.00 0.00 46.19 44.57 3aaz s LEU 171 CO 0.50 0.13 0.00 1.07 -1.89 0.00 0.00 176.35 176.16 3aaz n THR 172 N 0.34 0.00 0.00 3.68 5.66 -1.26 -4.49 114.28 118.21 3aaz n THR 172 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3aaz n THR 172 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 3aaz n THR 172 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3aaz n SER 173 N 0.00 0.00 -2.17 1.09 7.64 -1.26 -3.40 113.62 115.52 3aaz n SER 173 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3aaz n SER 173 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 3aaz n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aaz n GLY 174 N 0.00 6.19 3.67 0.23 0.00 -1.26 -5.01 105.19 109.01 3aaz n GLY 174 Ca 0.00 -2.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.07 3aaz n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aaz s VAL 175 N -4.74 5.04 -0.19 1.61 1.01 -1.22 -1.97 120.40 119.94 3aaz s VAL 175 Ca 0.55 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.72 3aaz s VAL 175 Cb 0.44 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.93 3aaz s VAL 175 CO -0.00 0.14 -0.06 -1.00 0.00 0.00 0.00 175.10 174.18 3aaz s HIS 176 N 1.71 1.98 -0.36 5.22 3.76 0.62 -4.99 115.29 123.23 3aaz s HIS 176 Ca 0.29 -1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 53.75 3aaz s HIS 176 Cb -0.16 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.12 3aaz s HIS 176 CO 0.11 -0.68 0.19 0.99 -0.85 0.00 0.00 174.74 174.50 3aaz s THR 177 N 1.54 4.54 0.31 1.30 2.01 -1.26 -0.20 115.64 123.88 3aaz s THR 177 Ca -0.01 -0.80 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 3aaz s THR 177 Cb -0.16 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 3aaz s THR 177 CO -0.07 -0.18 1.14 -0.36 -0.69 0.00 0.00 174.62 174.46 3aaz s PHE 178 N 1.56 3.40 0.43 4.92 0.40 -0.80 -4.99 117.98 122.89 3aaz s PHE 178 Ca 0.02 1.62 -0.24 0.00 -0.60 0.00 0.00 56.93 57.74 3aaz s PHE 178 Cb -0.19 -3.36 -0.10 0.00 0.51 0.00 0.00 43.02 39.88 3aaz s PHE 178 CO 0.06 -0.90 1.05 -2.30 0.70 0.00 0.00 175.22 173.84 3aaz n PRO 179 N 0.90 1.41 -2.34 0.24 -0.02 -1.26 -4.59 135.00 129.35 3aaz n PRO 179 Ca 0.00 0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 3aaz n PRO 179 Cb 0.45 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3aaz n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3aaz s ALA 180 N -1.28 2.85 -0.03 3.55 0.00 -1.26 -4.86 121.76 120.73 3aaz s ALA 180 Ca 0.64 0.80 0.07 0.00 0.00 0.00 0.00 51.96 53.47 3aaz s ALA 180 Cb -0.54 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3aaz s ALA 180 CO 0.56 -0.59 -0.23 0.14 0.00 0.00 0.00 175.76 175.63 3aaz s VAL 181 N -1.73 2.26 -0.14 0.00 -7.23 -0.12 -4.95 120.40 108.49 3aaz s VAL 181 Ca 0.68 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 3aaz s VAL 181 Cb -0.24 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 3aaz s VAL 181 CO 0.28 0.58 1.27 -0.22 -0.31 0.00 0.00 175.10 176.70 3aaz s LEU 182 N -0.54 4.21 0.77 1.32 2.96 -1.26 -0.85 118.68 125.28 3aaz s LEU 182 Ca 0.08 1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.61 3aaz s LEU 182 Cb -0.11 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.10 3aaz s LEU 182 CO 0.00 -0.74 1.14 -1.10 -1.32 0.00 0.00 176.35 174.34 3aaz s GLN 183 N 3.28 2.30 0.33 1.98 -1.52 0.06 -4.90 119.66 121.19 3aaz s GLN 183 Ca 0.56 0.27 0.09 0.00 -1.95 0.00 0.00 55.36 54.33 3aaz s GLN 183 Cb -0.23 -1.97 0.97 0.00 -0.22 0.00 0.00 33.01 31.55 3aaz s GLN 183 CO 0.17 -1.39 1.60 1.03 -0.25 0.00 0.00 175.29 176.44 3aaz h SER 184 N -0.91 -0.05 0.79 5.90 0.87 -1.96 0.26 113.55 118.46 3aaz h SER 184 Ca -0.46 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3aaz h SER 184 Cb 1.30 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 3aaz h SER 184 CO 0.65 -0.33 0.00 0.77 -0.53 0.00 0.00 176.83 177.39 3aaz h SER 185 N 0.07 0.00 0.00 6.23 4.64 -2.02 -3.46 113.55 119.01 3aaz h SER 185 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 3aaz h SER 185 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3aaz h SER 185 CO -0.80 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.77 3aaz n GLY 186 N 0.04 0.73 3.73 -0.77 0.00 0.93 -5.07 105.19 104.77 3aaz n GLY 186 Ca 0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 3aaz n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aaz s LEU 187 N 0.00 3.57 0.47 0.99 1.43 -1.26 -4.83 118.68 119.05 3aaz s LEU 187 Ca 0.00 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3aaz s LEU 187 Cb 0.00 -2.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 3aaz s LEU 187 CO 0.00 0.09 0.88 -0.31 0.23 0.00 0.00 176.35 177.25 3aaz s TYR 188 N -1.67 3.47 0.02 0.29 1.51 0.97 -0.76 117.35 121.17 3aaz s TYR 188 Ca 0.29 1.25 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 3aaz s TYR 188 Cb -0.10 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.12 3aaz s TYR 188 CO 0.21 -0.26 -0.01 0.45 -1.11 0.00 0.00 175.55 174.83 3aaz s SER 189 N -3.18 0.21 0.16 2.29 0.15 -0.03 -0.76 113.70 112.53 3aaz s SER 189 Ca 0.55 -0.44 -0.22 0.00 0.70 0.00 0.00 55.95 56.53 3aaz s SER 189 Cb -0.10 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.38 3aaz s SER 189 CO 0.32 -0.28 0.59 -1.48 1.20 0.00 0.00 173.24 173.59 3aaz s LEU 190 N -1.35 -0.48 -0.01 3.45 2.34 0.44 -0.95 118.68 122.13 3aaz s LEU 190 Ca -0.15 -0.05 0.08 0.00 0.06 0.00 0.00 54.13 54.07 3aaz s LEU 190 Cb -0.09 2.54 -0.02 0.00 -0.56 0.00 0.00 46.19 48.06 3aaz s LEU 190 CO -0.01 -0.97 -0.25 -0.44 -1.06 0.00 0.00 176.35 173.62 3aaz s SER 191 N -2.76 3.20 -0.10 1.48 0.01 -1.26 -0.23 113.70 114.04 3aaz s SER 191 Ca 0.02 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.83 3aaz s SER 191 Cb -0.01 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 3aaz s SER 191 CO -0.12 0.31 -0.15 -0.55 0.41 0.00 0.00 173.24 173.14 3aaz s SER 192 N -0.76 3.88 0.03 2.44 0.15 -0.10 -1.90 113.70 117.44 3aaz s SER 192 Ca 0.11 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.48 3aaz s SER 192 Cb -0.10 -1.31 -0.02 0.00 -1.71 0.00 0.00 66.02 62.88 3aaz s SER 192 CO -0.00 0.22 -0.13 -0.69 1.20 0.00 0.00 173.24 173.85 3aaz s VAL 193 N -0.01 0.98 -0.02 4.45 1.01 0.72 0.39 120.40 127.92 3aaz s VAL 193 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3aaz s VAL 193 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3aaz s VAL 193 CO 0.04 -0.02 -0.03 0.54 0.00 0.00 0.00 175.10 175.63 3aaz s VAL 194 N -0.83 0.34 -0.15 2.92 0.11 0.16 -0.28 120.40 122.68 3aaz s VAL 194 Ca 0.00 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 3aaz s VAL 194 Cb -0.07 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 3aaz s VAL 194 CO 0.01 0.13 0.11 0.42 -3.33 0.00 0.00 175.10 172.44 3aaz s THR 195 N 0.36 5.23 0.25 5.04 -4.23 -0.83 -1.72 115.64 119.74 3aaz s THR 195 Ca -0.04 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 3aaz s THR 195 Cb -0.07 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 3aaz s THR 195 CO -0.00 0.54 0.13 0.68 -0.54 0.00 0.00 174.62 175.43 3aaz s VAL 196 N -0.38 0.27 0.26 2.29 -7.23 0.70 -4.36 120.40 111.94 3aaz s VAL 196 Ca 0.11 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.97 3aaz s VAL 196 Cb -0.12 -2.55 -0.13 0.00 0.56 0.00 0.00 36.38 34.14 3aaz s VAL 196 CO 0.01 0.00 1.34 -2.65 -0.31 0.00 0.00 175.10 173.50 3aaz n PRO 197 N -0.43 1.94 0.09 4.82 -0.02 -1.26 -0.62 135.00 139.51 3aaz n PRO 197 Ca 0.01 0.69 -0.01 0.00 -2.02 0.00 0.00 63.50 62.17 3aaz n PRO 197 Cb 0.66 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3aaz n PRO 197 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3aaz h SER 198 N 3.71 0.00 -0.41 2.55 4.64 -1.80 -3.32 113.55 118.92 3aaz h SER 198 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3aaz h SER 198 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3aaz h SER 198 CO 0.72 0.69 0.00 -1.54 -0.87 0.00 0.00 176.83 175.83 3aaz n SER 199 N -3.20 2.22 -0.21 4.97 3.41 -1.26 -3.43 113.62 116.12 3aaz n SER 199 Ca -0.02 -1.99 0.04 0.00 -0.26 0.00 0.00 58.87 56.64 3aaz n SER 199 Cb 0.83 -0.27 0.05 0.00 -0.26 0.00 0.00 64.21 64.56 3aaz n SER 199 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3aaz n SER 200 N 0.71 1.16 -0.18 4.04 3.41 -1.25 -4.85 113.62 116.66 3aaz n SER 200 Ca 0.14 -2.30 -0.02 0.00 -0.26 0.00 0.00 58.87 56.43 3aaz n SER 200 Cb 0.35 -0.24 0.19 0.00 -0.26 0.00 0.00 64.21 64.25 3aaz n SER 200 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3aaz h LEU 201 N 0.00 0.84 -0.84 1.04 6.46 -1.65 -2.64 115.31 118.53 3aaz h LEU 201 Ca 0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3aaz h LEU 201 Cb 1.09 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3aaz h LEU 201 CO 0.00 0.75 -0.07 0.61 -0.62 0.00 0.00 178.44 179.11 3aaz n GLY 202 N -1.03 -0.17 0.09 3.75 0.00 -1.26 -3.51 105.19 103.06 3aaz n GLY 202 Ca 0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3aaz n GLY 202 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3aaz h THR 203 N 2.04 1.57 -2.96 2.61 2.02 -1.84 -3.48 112.91 112.88 3aaz h THR 203 Ca 0.00 -3.19 -0.64 0.00 0.77 0.00 0.00 66.41 63.35 3aaz h THR 203 Cb 0.50 2.91 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 3aaz h THR 203 CO 0.00 0.92 -0.53 -1.10 0.37 0.00 0.00 175.52 175.18 3aaz s GLN 204 N -2.67 3.26 -0.05 6.66 -1.52 -1.18 -5.10 119.66 119.06 3aaz s GLN 204 Ca -0.02 -0.44 -0.11 0.00 -1.95 0.00 0.00 55.36 52.84 3aaz s GLN 204 Cb 0.08 -2.97 -0.05 0.00 -0.22 0.00 0.00 33.01 29.85 3aaz s GLN 204 CO 0.86 0.64 0.28 0.99 -0.25 0.00 0.00 175.29 177.81 3aaz s THR 205 N -1.33 5.26 -0.20 -0.19 2.01 -1.26 -4.98 115.64 114.95 3aaz s THR 205 Ca 0.28 0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.76 3aaz s THR 205 Cb -0.12 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.88 3aaz s THR 205 CO 0.19 0.57 0.03 -0.31 -0.69 0.00 0.00 174.62 174.42 3aaz s TYR 206 N -1.08 1.13 -0.26 4.92 2.02 -1.26 -5.03 117.35 117.78 3aaz s TYR 206 Ca 0.21 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 3aaz s TYR 206 Cb -0.14 -1.08 0.08 0.00 -0.40 0.00 0.00 41.96 40.41 3aaz s TYR 206 CO 0.10 -0.63 0.01 0.96 -1.57 0.00 0.00 175.55 174.42 3aaz s ILE 207 N 1.82 1.31 -0.04 2.71 -4.36 -1.26 -0.93 121.20 120.45 3aaz s ILE 207 Ca -0.01 -1.31 -0.24 0.00 -0.26 0.00 0.00 60.65 58.83 3aaz s ILE 207 Cb -0.17 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 3aaz s ILE 207 CO -0.08 -0.32 0.74 0.00 0.24 0.00 0.00 174.94 175.51 3aaz s ASN 209 N 0.66 6.10 -0.17 0.00 -0.87 -1.15 -1.47 114.94 118.04 3aaz s ASN 209 Ca 0.39 -0.72 -0.04 0.00 -1.57 0.00 0.00 52.86 50.93 3aaz s ASN 209 Cb -0.18 -2.16 -0.02 0.00 -0.02 0.00 0.00 41.25 38.86 3aaz s ASN 209 CO 0.20 -0.38 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.61 3aaz s VAL 210 N 1.72 3.75 -0.10 1.60 1.01 0.64 -2.17 120.40 126.85 3aaz s VAL 210 Ca 0.06 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3aaz s VAL 210 Cb -0.18 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3aaz s VAL 210 CO 0.10 0.48 -0.21 0.21 0.00 0.00 0.00 175.10 175.68 3aaz s ASN 211 N 0.60 2.82 -0.48 3.32 3.84 -0.24 -0.30 114.94 124.50 3aaz s ASN 211 Ca -0.03 -0.51 0.03 0.00 0.21 0.00 0.00 52.86 52.56 3aaz s ASN 211 Cb -0.14 -1.29 0.14 0.00 -0.55 0.00 0.00 41.25 39.41 3aaz s ASN 211 CO 0.03 0.11 0.28 -2.28 -2.79 0.00 0.00 177.10 172.45 3aaz s HIS 212 N 0.52 2.23 0.27 0.43 5.65 -0.69 -1.41 115.29 122.29 3aaz s HIS 212 Ca -0.15 -2.61 -0.01 0.00 0.25 0.00 0.00 55.06 52.54 3aaz s HIS 212 Cb -0.17 -2.00 0.62 0.00 -1.18 0.00 0.00 32.58 29.85 3aaz s HIS 212 CO 0.06 -0.75 1.66 0.87 -0.65 0.00 0.00 174.74 175.92 3aaz h LYS 213 N 6.44 0.23 -0.63 2.88 1.57 -1.80 -2.48 116.57 122.77 3aaz h LYS 213 Ca 0.03 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 3aaz h LYS 213 Cb 0.90 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 3aaz h LYS 213 CO 0.52 0.15 0.44 -1.35 -0.57 0.00 0.00 179.45 178.64 3aaz h PRO 214 N 0.24 0.23 -0.01 3.15 0.11 -1.92 -2.40 132.00 131.40 3aaz h PRO 214 Ca 0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3aaz h PRO 214 Cb 0.96 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3aaz h PRO 214 CO -0.60 0.15 -0.42 -1.13 -0.21 0.00 0.00 178.00 175.79 3aaz n SER 215 N -4.43 1.42 0.00 -2.05 3.41 -1.05 -4.98 113.62 105.94 3aaz n SER 215 Ca 0.12 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3aaz n SER 215 Cb 0.54 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 3aaz n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3aaz n ASN 216 N -0.40 -1.37 -4.73 4.04 3.02 -0.90 -4.91 115.26 110.01 3aaz n ASN 216 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3aaz n ASN 216 Cb 0.31 -0.89 -0.04 0.00 -0.61 0.00 0.00 39.78 38.56 3aaz n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3aaz s THR 217 N -2.68 4.36 -0.06 3.41 2.01 -1.10 -4.93 115.64 116.65 3aaz s THR 217 Ca 0.00 1.93 0.05 0.00 0.31 0.00 0.00 61.69 63.97 3aaz s THR 217 Cb 0.00 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 3aaz s THR 217 CO 0.00 0.28 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.47 3aaz s LYS 218 N 0.09 2.18 -0.03 4.92 1.02 -1.26 -1.71 119.74 124.95 3aaz s LYS 218 Ca 0.49 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.81 3aaz s LYS 218 Cb -0.25 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3aaz s LYS 218 CO 0.31 0.25 -0.19 0.08 -0.92 0.00 0.00 175.35 174.89 3aaz s VAL 219 N 0.08 1.50 -0.17 3.17 1.01 0.59 -4.99 120.40 121.60 3aaz s VAL 219 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3aaz s VAL 219 Cb -0.14 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3aaz s VAL 219 CO 0.04 0.43 -0.16 -1.81 0.00 0.00 0.00 175.10 173.59 3aaz s ASP 220 N -0.22 3.50 -0.18 3.32 -0.00 -1.26 -0.26 116.67 121.56 3aaz s ASP 220 Ca 0.02 -0.54 0.01 0.00 -0.00 0.00 0.00 52.55 52.04 3aaz s ASP 220 Cb -0.09 -1.54 0.02 0.00 -0.00 0.00 0.00 42.92 41.30 3aaz s ASP 220 CO 0.01 0.04 -0.19 -0.75 -0.00 0.00 0.00 175.17 174.27 3aaz s LYS 221 N 1.09 3.00 -0.05 8.23 2.47 -0.54 -4.93 119.74 129.00 3aaz s LYS 221 Ca -0.00 -0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 53.28 3aaz s LYS 221 Cb -0.14 -2.58 -0.05 0.00 -1.46 0.00 0.00 37.83 33.59 3aaz s LYS 221 CO -0.05 -0.21 1.53 0.21 0.16 0.00 0.00 175.35 176.98 3aaz s LYS 222 N 1.29 4.22 -0.40 4.03 2.20 -1.26 -0.72 119.74 129.10 3aaz s LYS 222 Ca 0.05 2.06 -0.08 0.00 -0.36 0.00 0.00 55.97 57.64 3aaz s LYS 222 Cb -0.13 -3.80 0.07 0.00 -1.51 0.00 0.00 37.83 32.45 3aaz s LYS 222 CO -0.13 -0.74 0.22 0.08 -0.36 0.00 0.00 175.35 174.42 3aaz s VAL 223 N 3.38 4.13 -0.07 4.02 1.01 -0.11 -4.87 120.40 127.89 3aaz s VAL 223 Ca 0.68 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3aaz s VAL 223 Cb -0.32 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3aaz s VAL 223 CO 0.27 -0.43 -0.14 -1.61 0.00 0.00 0.00 175.10 173.19 3aaz s GLU 224 N 1.42 2.76 1.01 2.72 2.02 -1.26 -4.47 118.70 122.89 3aaz s GLU 224 Ca 0.02 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 3aaz s GLU 224 Cb -0.22 -2.46 0.19 0.00 0.10 0.00 0.00 34.13 31.75 3aaz s GLU 224 CO 0.02 0.51 1.08 -1.25 0.02 0.00 0.00 175.26 175.64 3aaz s PRO 225 N -0.43 0.33 0.00 0.39 0.04 -1.26 -4.64 135.00 129.42 3aaz s PRO 225 Ca 0.05 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3aaz s PRO 225 Cb -0.12 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.73 3aaz s PRO 225 CO 0.02 -2.91 0.00 1.17 0.04 0.00 0.00 177.00 175.32 3aaz n LYS 226 N -4.36 0.00 0.00 4.56 0.00 -1.26 -5.00 118.16 112.11 3aaz n LYS 226 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.37 3aaz n LYS 226 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 3aaz n LYS 226 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3aaz n SER 227 N -1.00 0.00 -0.91 3.14 7.64 -1.26 -5.08 113.62 116.15 3aaz n SER 227 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 3aaz n SER 227 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 3aaz n SER 227 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03