#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aaz s ILE 2 N 0.00 5.11 -0.14 0.53 -1.16 -1.26 -4.99 121.20 119.29 3aaz s ILE 2 Ca 0.00 0.83 -0.22 0.00 -0.51 0.00 0.00 60.65 60.75 3aaz s ILE 2 Cb 0.00 -3.80 -0.03 0.00 0.61 0.00 0.00 42.46 39.24 3aaz s ILE 2 CO 0.00 0.14 0.65 -0.69 -2.81 0.00 0.00 174.94 172.24 3aaz s VAL 3 N 1.96 5.04 -0.22 4.00 1.01 -1.26 -4.81 120.40 126.13 3aaz s VAL 3 Ca 0.21 1.29 -0.09 0.00 0.00 0.00 0.00 61.98 63.39 3aaz s VAL 3 Cb -0.15 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3aaz s VAL 3 CO 0.09 0.18 0.11 -0.04 0.00 0.00 0.00 175.10 175.44 3aaz s MET 4 N 1.34 3.98 -0.08 2.72 1.00 -1.26 -1.74 119.30 125.26 3aaz s MET 4 Ca 0.32 -0.33 0.05 0.00 0.00 0.00 0.00 55.69 55.74 3aaz s MET 4 Cb -0.16 -3.37 -0.01 0.00 0.00 0.00 0.00 34.83 31.29 3aaz s MET 4 CO 0.13 0.12 -0.25 0.99 0.00 0.00 0.00 175.02 176.02 3aaz s THR 5 N 0.82 2.06 0.07 2.05 2.01 0.65 -4.26 115.64 119.03 3aaz s THR 5 Ca 0.05 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.06 3aaz s THR 5 Cb -0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3aaz s THR 5 CO 0.02 0.57 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.38 3aaz s GLN 6 N 0.05 2.47 -0.09 4.92 -0.21 -1.26 -0.46 119.66 125.08 3aaz s GLN 6 Ca -0.10 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.39 3aaz s GLN 6 Cb -0.16 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.41 3aaz s GLN 6 CO 0.06 0.55 0.21 -1.12 -2.12 0.00 0.00 175.29 172.87 3aaz s SER 7 N -2.07 -0.11 0.68 5.90 0.01 -0.57 -4.49 113.70 113.05 3aaz s SER 7 Ca 0.23 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.93 3aaz s SER 7 Cb -0.11 0.35 0.11 0.00 0.21 0.00 0.00 66.02 66.57 3aaz s SER 7 CO 0.15 -0.17 0.95 -2.16 0.41 0.00 0.00 173.24 172.41 3aaz s PRO 8 N 1.37 1.86 0.34 12.44 0.04 -1.26 -1.43 135.00 148.36 3aaz s PRO 8 Ca -0.08 -1.07 0.18 0.00 0.04 0.00 0.00 61.00 60.06 3aaz s PRO 8 Cb -0.11 -2.37 0.42 0.00 0.04 0.00 0.00 34.50 32.48 3aaz s PRO 8 CO -0.08 -1.29 1.61 -0.07 0.04 0.00 0.00 177.00 177.21 3aaz h LEU 9 N -0.39 0.00 -7.55 -3.56 3.38 -1.82 -3.43 115.31 101.95 3aaz h LEU 9 Ca -0.37 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.18 3aaz h LEU 9 Cb 1.27 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.66 3aaz h LEU 9 CO 0.43 0.42 -0.77 -0.55 0.09 0.00 0.00 178.44 178.06 3aaz s SER 10 N -6.41 1.34 -0.29 -0.43 0.15 -1.26 0.45 113.70 107.26 3aaz s SER 10 Ca 0.02 -0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 3aaz s SER 10 Cb 0.09 -0.42 0.09 0.00 -1.71 0.00 0.00 66.02 64.07 3aaz s SER 10 CO 0.71 -0.15 0.09 -0.22 1.20 0.00 0.00 173.24 174.87 3aaz s LEU 11 N 1.65 1.70 0.00 3.45 2.96 0.01 -4.95 118.68 123.51 3aaz s LEU 11 Ca 0.00 -1.42 -0.25 0.00 -0.22 0.00 0.00 54.13 52.23 3aaz s LEU 11 Cb -0.13 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 3aaz s LEU 11 CO -0.04 -0.40 0.78 -2.16 -1.32 0.00 0.00 176.35 173.21 3aaz s PRO 12 N 1.76 4.49 -0.04 0.98 0.04 -1.26 0.04 135.00 141.02 3aaz s PRO 12 Ca 0.08 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 3aaz s PRO 12 Cb -0.17 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.98 3aaz s PRO 12 CO -0.25 0.16 0.09 0.08 0.04 0.00 0.00 177.00 177.12 3aaz s VAL 13 N 0.38 -0.01 0.06 -0.36 1.01 0.67 -4.92 120.40 117.23 3aaz s VAL 13 Ca 0.40 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 3aaz s VAL 13 Cb -0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 3aaz s VAL 13 CO 0.22 0.02 1.18 -0.89 0.00 0.00 0.00 175.10 175.63 3aaz s THR 14 N 0.35 4.08 0.04 3.92 2.01 -1.26 -0.31 115.64 124.47 3aaz s THR 14 Ca -0.03 1.51 -0.35 0.00 0.31 0.00 0.00 61.69 63.13 3aaz s THR 14 Cb -0.04 -3.97 -0.14 0.00 0.01 0.00 0.00 72.50 68.37 3aaz s THR 14 CO -0.01 0.13 1.66 -2.65 -0.69 0.00 0.00 174.62 173.05 3aaz n PRO 15 N 3.84 1.95 0.00 4.92 -0.02 -1.26 -0.88 135.00 143.55 3aaz n PRO 15 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3aaz n PRO 15 Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3aaz n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3aaz n GLY 16 N 3.68 2.14 3.84 -1.23 0.00 0.22 -4.94 105.19 108.89 3aaz n GLY 16 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3aaz n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3aaz s GLU 17 N -0.96 3.85 0.74 1.61 2.12 -0.06 -4.32 118.70 121.69 3aaz s GLU 17 Ca 0.00 0.95 -0.11 0.00 0.36 0.00 0.00 54.97 56.17 3aaz s GLU 17 Cb 0.00 -2.12 0.04 0.00 0.26 0.00 0.00 34.13 32.31 3aaz s GLU 17 CO 0.00 -0.35 1.08 -2.14 -0.54 0.00 0.00 175.26 173.30 3aaz s PRO 18 N -4.20 2.55 -0.10 4.30 0.02 -1.23 0.62 135.00 136.96 3aaz s PRO 18 Ca 0.59 0.88 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 3aaz s PRO 18 Cb -0.11 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.50 3aaz s PRO 18 CO 0.34 -1.35 0.40 0.00 -0.33 0.00 0.00 177.00 176.06 3aaz s ALA 19 N -3.06 -0.99 -0.01 -1.55 0.00 -0.01 -4.86 121.76 111.28 3aaz s ALA 19 Ca 0.59 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.50 3aaz s ALA 19 Cb -0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 3aaz s ALA 19 CO 0.55 -0.23 -0.18 -1.12 0.00 0.00 0.00 175.76 174.78 3aaz s SER 20 N -0.39 2.13 -0.03 0.00 0.01 -1.26 -0.97 113.70 113.19 3aaz s SER 20 Ca -0.05 -0.35 0.07 0.00 1.31 0.00 0.00 55.95 56.94 3aaz s SER 20 Cb -0.03 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 3aaz s SER 20 CO 0.02 0.21 -0.26 -0.63 0.41 0.00 0.00 173.24 173.00 3aaz s ILE 21 N -0.47 2.07 -0.13 1.44 1.01 0.18 -4.78 121.20 120.52 3aaz s ILE 21 Ca 0.07 -1.09 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 3aaz s ILE 21 Cb -0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3aaz s ILE 21 CO -0.00 0.58 0.14 -0.55 0.00 0.00 0.00 174.94 175.10 3aaz s SER 22 N -0.48 6.35 -0.11 3.58 0.15 -0.51 -1.75 113.70 120.92 3aaz s SER 22 Ca 0.06 0.43 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 3aaz s SER 22 Cb -0.11 -2.07 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 3aaz s SER 22 CO 0.00 0.38 -0.02 0.00 1.20 0.00 0.00 173.24 174.80 3aaz s ARG 24 N 1.85 2.00 0.11 0.00 0.52 0.39 -0.00 118.95 123.82 3aaz s ARG 24 Ca 0.04 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.37 3aaz s ARG 24 Cb -0.13 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3aaz s ARG 24 CO -0.07 0.53 0.13 -1.54 0.02 0.00 0.00 175.30 174.37 3aaz s SER 25 N -0.63 5.69 0.46 0.23 1.04 -0.34 -0.25 113.70 119.90 3aaz s SER 25 Ca 0.10 0.01 0.26 0.00 0.48 0.00 0.00 55.95 56.79 3aaz s SER 25 Cb -0.10 -1.56 0.60 0.00 0.10 0.00 0.00 66.02 65.06 3aaz s SER 25 CO -0.01 0.13 1.70 0.77 0.98 0.00 0.00 173.24 176.82 3aaz h SER 26 N 2.94 0.00 -4.91 7.02 4.64 -1.66 -3.45 113.55 118.12 3aaz h SER 26 Ca -0.47 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.60 3aaz h SER 26 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 3aaz h SER 26 CO 0.67 0.00 -0.65 0.00 -0.87 0.00 0.00 176.83 175.98 3aaz s GLN 27 N -3.32 1.09 0.31 4.77 -2.07 -1.26 -5.02 119.66 114.15 3aaz s GLN 27 Ca 0.06 -1.53 -0.28 0.00 -1.82 0.00 0.00 55.36 51.78 3aaz s GLN 27 Cb 0.06 -0.04 -0.13 0.00 -1.09 0.00 0.00 33.01 31.81 3aaz s GLN 27 CO 0.64 -0.22 1.18 0.45 -1.32 0.00 0.00 175.29 176.02 3aaz n SER 28 N -0.22 2.11 -1.34 12.60 2.88 -1.26 -4.72 113.62 123.66 3aaz n SER 28 Ca -0.05 1.19 -0.02 0.00 -1.33 0.00 0.00 58.87 58.67 3aaz n SER 28 Cb 0.64 -1.39 0.24 0.00 -0.75 0.00 0.00 64.21 62.95 3aaz n SER 28 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3aaz n ILE 29 N 0.42 2.60 -2.14 2.46 -5.35 -1.00 -4.97 119.36 111.38 3aaz n ILE 29 Ca 0.07 -2.12 -0.42 0.00 -0.27 0.00 0.00 62.75 60.01 3aaz n ILE 29 Cb 0.34 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 37.89 3aaz n ILE 29 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3aaz s VAL 30 N -3.05 3.75 0.72 7.28 1.01 -1.26 -4.09 120.40 124.77 3aaz s VAL 30 Ca 0.47 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 63.28 3aaz s VAL 30 Cb 0.40 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3aaz s VAL 30 CO 0.07 -0.07 1.13 -2.28 0.00 0.00 0.00 175.10 173.95 3aaz s HIS 31 N 3.58 2.42 0.55 5.22 2.46 0.11 -4.92 115.29 124.71 3aaz s HIS 31 Ca 0.67 1.58 0.24 0.00 0.47 0.00 0.00 55.06 58.02 3aaz s HIS 31 Cb -0.30 -3.21 1.48 0.00 -0.13 0.00 0.00 32.58 30.42 3aaz s HIS 31 CO 0.25 -1.98 2.12 0.66 -2.47 0.00 0.00 174.74 173.32 3aaz h SER 32 N -0.49 0.00 0.04 9.88 4.64 -1.93 -1.48 113.55 124.21 3aaz h SER 32 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3aaz h SER 32 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3aaz h SER 32 CO 0.51 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.01 3aaz n ASN 33 N -4.20 0.00 0.00 4.97 6.94 -1.26 -4.88 115.26 116.83 3aaz n ASN 33 Ca 0.01 -0.82 0.00 0.00 -0.02 0.00 0.00 54.58 53.75 3aaz n ASN 33 Cb 0.27 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 3aaz n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3aaz n GLY 34 N 0.79 1.22 3.91 4.83 0.00 -0.56 -5.08 105.19 110.31 3aaz n GLY 34 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3aaz n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3aaz s HIS 35 N -2.24 3.52 -0.37 1.61 3.76 -1.26 -4.81 115.29 115.49 3aaz s HIS 35 Ca 0.00 0.37 -0.12 0.00 -0.15 0.00 0.00 55.06 55.16 3aaz s HIS 35 Cb 0.00 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.86 3aaz s HIS 35 CO 0.00 0.57 0.23 0.99 -0.85 0.00 0.00 174.74 175.68 3aaz s THR 36 N -1.48 4.79 -1.32 1.30 2.01 -1.26 0.10 115.64 119.77 3aaz s THR 36 Ca 0.34 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.46 3aaz s THR 36 Cb -0.13 -3.63 0.09 0.00 0.01 0.00 0.00 72.50 68.84 3aaz s THR 36 CO 0.24 -0.21 1.83 -1.22 -0.69 0.00 0.00 174.62 174.57 3aaz n TYR 37 N 5.04 4.22 -3.83 4.92 4.02 -1.26 -4.16 117.16 126.12 3aaz n TYR 37 Ca -0.12 -2.97 -0.36 0.00 -0.01 0.00 0.00 57.90 54.44 3aaz n TYR 37 Cb 0.47 -2.45 -0.13 0.00 -0.02 0.00 0.00 39.34 37.21 3aaz n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3aaz s LEU 38 N 2.66 3.42 0.08 7.72 2.96 -1.26 -0.53 118.68 133.73 3aaz s LEU 38 Ca 0.48 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 3aaz s LEU 38 Cb 0.06 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3aaz s LEU 38 CO 0.01 -0.11 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.20 3aaz s GLU 39 N 1.49 2.12 -0.09 1.98 2.02 0.26 -0.99 118.70 125.50 3aaz s GLU 39 Ca 0.04 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 54.06 3aaz s GLU 39 Cb -0.16 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 3aaz s GLU 39 CO 0.00 0.52 -0.20 -1.58 0.02 0.00 0.00 175.26 174.02 3aaz s TRP 40 N -1.12 2.61 0.14 1.61 0.52 0.48 -0.64 118.94 122.52 3aaz s TRP 40 Ca 0.19 -0.70 0.10 0.00 0.02 0.00 0.00 56.10 55.71 3aaz s TRP 40 Cb -0.11 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 3aaz s TRP 40 CO 0.11 -0.21 -0.21 0.71 0.02 0.00 0.00 176.95 177.37 3aaz s TYR 41 N 0.02 2.43 -0.17 -1.98 1.51 0.30 -1.37 117.35 118.09 3aaz s TYR 41 Ca -0.07 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 3aaz s TYR 41 Cb -0.15 -1.28 -0.00 0.00 -0.11 0.00 0.00 41.96 40.42 3aaz s TYR 41 CO 0.05 0.40 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.59 3aaz s LEU 42 N -2.24 2.58 -0.17 -1.29 2.96 -0.71 -1.12 118.68 118.68 3aaz s LEU 42 Ca 0.17 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3aaz s LEU 42 Cb -0.10 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3aaz s LEU 42 CO 0.09 0.07 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.50 3aaz s GLN 43 N 0.91 3.30 0.15 1.98 0.74 0.83 -1.15 119.66 126.42 3aaz s GLN 43 Ca -0.03 -0.69 -0.20 0.00 0.05 0.00 0.00 55.36 54.48 3aaz s GLN 43 Cb -0.15 -2.76 -0.08 0.00 1.10 0.00 0.00 33.01 31.13 3aaz s GLN 43 CO -0.01 -0.03 0.67 0.15 -0.55 0.00 0.00 175.29 175.52 3aaz s LYS 44 N 0.98 4.28 -0.24 1.67 -0.14 -1.26 -1.09 119.74 123.93 3aaz s LYS 44 Ca -0.02 0.86 -0.22 0.00 -1.36 0.00 0.00 55.97 55.23 3aaz s LYS 44 Cb -0.15 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 32.82 3aaz s LYS 44 CO -0.01 0.52 0.93 -2.30 -0.76 0.00 0.00 175.35 173.73 3aaz n PRO 45 N 1.25 0.00 -1.05 -1.68 -0.01 -1.26 -1.16 135.00 131.09 3aaz n PRO 45 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.41 3aaz n PRO 45 Cb 0.50 -0.73 -0.01 0.00 -0.01 0.00 0.00 33.50 33.26 3aaz n PRO 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3aaz n GLY 46 N 2.93 0.33 3.57 -1.23 0.00 -1.26 -5.00 105.19 104.53 3aaz n GLY 46 Ca 0.22 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3aaz n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aaz s GLN 47 N -1.54 1.86 0.35 1.61 -0.21 -0.31 -5.12 119.66 116.31 3aaz s GLN 47 Ca 0.00 -1.99 -0.26 0.00 0.02 0.00 0.00 55.36 53.13 3aaz s GLN 47 Cb 0.00 -1.65 -0.09 0.00 1.00 0.00 0.00 33.01 32.27 3aaz s GLN 47 CO 0.00 0.07 1.05 -1.54 -2.12 0.00 0.00 175.29 172.75 3aaz s SER 48 N -3.64 6.98 0.75 5.90 1.04 -1.26 -4.58 113.70 118.88 3aaz s SER 48 Ca 0.33 2.08 -0.15 0.00 0.48 0.00 0.00 55.95 58.70 3aaz s SER 48 Cb 0.05 -2.60 0.05 0.00 0.10 0.00 0.00 66.02 63.62 3aaz s SER 48 CO 0.17 -0.34 1.21 -2.84 0.98 0.00 0.00 173.24 172.42 3aaz s PRO 49 N -2.13 2.02 -0.08 4.02 0.02 -1.26 -4.65 135.00 132.95 3aaz s PRO 49 Ca 0.53 1.77 0.01 0.00 0.02 0.00 0.00 61.00 63.33 3aaz s PRO 49 Cb -0.25 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.47 3aaz s PRO 49 CO 0.31 -1.93 -0.10 0.50 -0.33 0.00 0.00 177.00 175.45 3aaz s ARG 50 N -3.95 1.59 0.18 5.54 3.52 -0.30 -4.96 118.95 120.56 3aaz s ARG 50 Ca 0.74 -0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 55.69 3aaz s ARG 50 Cb -0.29 -1.41 -0.10 0.00 -1.56 0.00 0.00 34.95 31.59 3aaz s ARG 50 CO 0.46 -0.06 1.48 -1.17 -0.81 0.00 0.00 175.30 175.20 3aaz s LEU 51 N 0.95 4.38 -0.17 -0.88 2.96 -1.26 -1.74 118.68 122.91 3aaz s LEU 51 Ca -0.09 2.56 -0.09 0.00 -0.22 0.00 0.00 54.13 56.29 3aaz s LEU 51 Cb -0.15 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.87 3aaz s LEU 51 CO 0.00 -0.74 -0.22 0.18 -1.32 0.00 0.00 176.35 174.25 3aaz n LEU 52 N 3.42 1.23 -3.93 -0.68 4.77 -0.47 -4.79 117.00 116.54 3aaz n LEU 52 Ca 0.11 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.15 3aaz n LEU 52 Cb 0.40 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.83 3aaz n LEU 52 CO 0.60 0.35 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.99 3aaz s ILE 53 N -2.32 0.31 0.27 -0.08 -1.09 -1.20 -0.38 121.20 116.70 3aaz s ILE 53 Ca -0.24 -0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 3aaz s ILE 53 Cb 0.09 -0.27 -0.05 0.00 -1.58 0.00 0.00 42.46 40.65 3aaz s ILE 53 CO 0.31 0.09 0.05 -0.72 -1.23 0.00 0.00 174.94 173.44 3aaz s TYR 54 N -0.04 1.66 -1.52 3.97 -0.85 0.93 -0.39 117.35 121.10 3aaz s TYR 54 Ca 0.01 -1.03 -0.13 0.00 -0.52 0.00 0.00 57.07 55.39 3aaz s TYR 54 Cb -0.02 -1.01 0.08 0.00 0.38 0.00 0.00 41.96 41.39 3aaz s TYR 54 CO -0.00 -0.14 1.01 1.04 -1.52 0.00 0.00 175.55 175.94 3aaz n GLN 55 N -0.51 -5.78 0.00 -3.49 1.13 -0.35 -0.49 117.38 107.90 3aaz n GLN 55 Ca -0.02 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 3aaz n GLN 55 Cb 0.66 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.47 3aaz n GLN 55 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3aaz n VAL 56 N -4.73 0.00 -0.55 5.09 0.31 -0.16 -4.20 118.33 114.09 3aaz n VAL 56 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3aaz n VAL 56 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3aaz n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3aaz n SER 57 N 3.14 0.51 -4.62 4.52 3.41 -1.13 -3.68 113.62 115.78 3aaz n SER 57 Ca 0.00 -1.06 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 3aaz n SER 57 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3aaz n SER 57 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3aaz s THR 58 N -0.06 4.89 0.00 6.66 2.01 0.36 -4.46 115.64 125.03 3aaz s THR 58 Ca 0.00 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.88 3aaz s THR 58 Cb 0.00 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 3aaz s THR 58 CO 0.00 -0.11 1.70 -0.60 -0.69 0.00 0.00 174.62 174.92 3aaz s ARG 59 N 2.73 4.18 0.96 4.92 3.52 -1.26 -0.05 118.95 133.95 3aaz s ARG 59 Ca 0.29 2.30 -0.11 0.00 -0.13 0.00 0.00 55.73 58.09 3aaz s ARG 59 Cb -0.15 -3.87 0.17 0.00 -1.56 0.00 0.00 34.95 29.54 3aaz s ARG 59 CO 0.10 -0.82 1.11 0.12 -0.81 0.00 0.00 175.30 175.00 3aaz s PHE 60 N 3.59 1.69 0.59 5.12 5.36 0.49 -4.92 117.98 129.90 3aaz s PHE 60 Ca 0.76 1.59 -0.18 0.00 -0.96 0.00 0.00 56.93 58.14 3aaz s PHE 60 Cb -0.37 -3.25 -0.04 0.00 -0.34 0.00 0.00 43.02 39.03 3aaz s PHE 60 CO 0.32 -2.94 1.15 -1.54 -1.46 0.00 0.00 175.22 170.75 3aaz s SER 61 N -2.75 5.36 0.00 6.13 1.04 -1.26 -3.21 113.70 119.01 3aaz s SER 61 Ca 0.66 2.22 0.00 0.00 0.48 0.00 0.00 55.95 59.32 3aaz s SER 61 Cb -0.22 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3aaz s SER 61 CO 0.59 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3aaz n GLY 62 N 0.16 2.84 3.69 7.32 0.00 -1.26 -5.00 105.19 112.94 3aaz n GLY 62 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3aaz n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aaz s VAL 63 N -0.82 4.06 0.59 1.61 1.01 -1.20 -4.98 120.40 120.69 3aaz s VAL 63 Ca 0.00 1.43 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 3aaz s VAL 63 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3aaz s VAL 63 CO 0.00 0.02 1.19 -2.84 0.00 0.00 0.00 175.10 173.47 3aaz s PRO 64 N 2.05 2.99 0.00 2.72 0.02 -1.26 -4.87 135.00 136.65 3aaz s PRO 64 Ca 0.58 1.76 0.12 0.00 0.02 0.00 0.00 61.00 63.49 3aaz s PRO 64 Cb -0.27 -1.94 0.62 0.00 0.02 0.00 0.00 34.50 32.93 3aaz s PRO 64 CO 0.24 -1.17 1.24 -0.40 -0.33 0.00 0.00 177.00 176.58 3aaz n ASP 65 N -1.63 0.00 0.25 2.53 3.85 -1.26 -2.76 116.55 117.53 3aaz n ASP 65 Ca 0.13 -0.02 0.16 0.00 -0.71 0.00 0.00 54.79 54.35 3aaz n ASP 65 Cb 0.50 -0.20 0.62 0.00 -1.35 0.00 0.00 41.12 40.69 3aaz n ASP 65 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3aaz h ARG 66 N 0.00 0.00 -5.99 0.11 0.11 -1.94 -3.43 114.38 103.23 3aaz h ARG 66 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 3aaz h ARG 66 Cb 0.08 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.10 3aaz h ARG 66 CO 0.00 0.00 -0.08 -0.06 0.10 0.00 0.00 179.97 179.93 3aaz s PHE 67 N -3.58 3.66 -0.14 4.08 0.08 -1.11 -1.85 117.98 119.12 3aaz s PHE 67 Ca 0.02 1.09 -0.15 0.00 0.12 0.00 0.00 56.93 58.01 3aaz s PHE 67 Cb 0.09 -2.52 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 3aaz s PHE 67 CO 0.53 0.38 0.42 -1.54 -0.10 0.00 0.00 175.22 174.91 3aaz s SER 68 N -0.22 -0.42 0.26 1.36 1.04 0.06 -4.90 113.70 110.87 3aaz s SER 68 Ca 0.28 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.58 3aaz s SER 68 Cb -0.17 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3aaz s SER 68 CO 0.15 -0.18 0.07 -0.83 0.98 0.00 0.00 173.24 173.43 3aaz s GLY 69 N 0.07 1.56 0.26 7.32 0.00 -1.26 0.03 107.32 115.30 3aaz s GLY 69 Ca -0.01 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.94 3aaz s GLY 69 CO 0.01 -1.60 0.77 -1.35 0.00 0.00 0.00 173.10 170.93 3aaz s SER 70 N -3.70 -0.23 0.00 1.64 1.04 -0.56 -4.38 113.70 107.50 3aaz s SER 70 Ca 0.32 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3aaz s SER 70 Cb -0.07 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3aaz s SER 70 CO 0.22 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3aaz n GLY 71 N -0.47 2.25 3.51 7.32 0.00 -1.26 -0.31 105.19 116.24 3aaz n GLY 71 Ca -0.05 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 3aaz n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3aaz s SER 72 N 0.00 -0.25 0.06 1.61 1.04 -0.71 -4.90 113.70 110.55 3aaz s SER 72 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3aaz s SER 72 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3aaz s SER 72 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3aaz n GLY 73 N -0.34 1.97 0.19 7.32 0.00 -1.26 -1.89 105.19 111.18 3aaz n GLY 73 Ca -0.10 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.94 3aaz n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3aaz n THR 74 N 0.00 0.37 -3.67 2.61 -2.24 -1.26 -2.37 114.28 107.73 3aaz n THR 74 Ca 0.00 -0.69 -0.27 0.00 -2.27 0.00 0.00 64.05 60.83 3aaz n THR 74 Cb 0.00 0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 68.93 3aaz n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3aaz s ASP 75 N -0.59 2.63 0.18 3.42 -1.08 -0.80 -1.20 116.67 119.23 3aaz s ASP 75 Ca 0.06 -0.72 0.06 0.00 -0.52 0.00 0.00 52.55 51.43 3aaz s ASP 75 Cb 0.04 -0.41 -0.05 0.00 -1.46 0.00 0.00 42.92 41.05 3aaz s ASP 75 CO 0.05 -0.33 -0.13 -0.36 0.52 0.00 0.00 175.17 174.93 3aaz s PHE 76 N 2.01 1.51 -0.16 -5.34 0.08 1.00 -1.75 117.98 115.33 3aaz s PHE 76 Ca 0.01 -0.65 -0.06 0.00 0.12 0.00 0.00 56.93 56.34 3aaz s PHE 76 Cb -0.17 -0.73 0.07 0.00 -0.57 0.00 0.00 43.02 41.63 3aaz s PHE 76 CO -0.09 0.23 0.34 0.99 -0.10 0.00 0.00 175.22 176.59 3aaz s THR 77 N -3.08 -0.37 -0.15 0.64 2.01 0.57 -0.63 115.64 114.64 3aaz s THR 77 Ca 0.19 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.17 3aaz s THR 77 Cb 0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 3aaz s THR 77 CO 0.04 0.08 0.63 -0.22 -0.69 0.00 0.00 174.62 174.46 3aaz s LEU 78 N 2.14 4.21 -0.09 4.42 2.96 -0.72 -1.50 118.68 130.10 3aaz s LEU 78 Ca -0.03 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3aaz s LEU 78 Cb -0.11 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 3aaz s LEU 78 CO -0.11 -0.19 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.00 3aaz s LYS 79 N 1.41 2.97 -0.18 1.98 1.02 0.10 -0.65 119.74 126.40 3aaz s LYS 79 Ca 0.31 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 3aaz s LYS 79 Cb -0.16 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 3aaz s LYS 79 CO 0.12 0.31 -0.05 0.42 -0.92 0.00 0.00 175.35 175.23 3aaz s ILE 80 N 0.07 3.57 0.11 2.17 1.01 -0.14 -0.76 121.20 127.22 3aaz s ILE 80 Ca -0.08 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.15 3aaz s ILE 80 Cb -0.15 -2.58 -0.23 0.00 0.01 0.00 0.00 42.46 39.51 3aaz s ILE 80 CO 0.05 0.46 1.24 0.77 0.00 0.00 0.00 174.94 177.46 3aaz h SER 81 N 7.31 0.12 -2.00 3.58 4.64 -1.64 0.02 113.55 125.58 3aaz h SER 81 Ca -0.34 -0.13 -0.26 0.00 -0.47 0.00 0.00 61.79 60.59 3aaz h SER 81 Cb 1.18 -0.04 -0.31 0.00 -0.31 0.00 0.00 62.40 62.92 3aaz h SER 81 CO 0.60 1.10 -0.58 -0.13 -0.87 0.00 0.00 176.83 176.95 3aaz s ARG 82 N -2.69 0.35 0.39 4.77 0.52 -1.25 -3.54 118.95 117.49 3aaz s ARG 82 Ca -0.00 0.07 -0.26 0.00 -0.52 0.00 0.00 55.73 55.01 3aaz s ARG 82 Cb 0.09 -0.56 -0.09 0.00 0.52 0.00 0.00 34.95 34.91 3aaz s ARG 82 CO 0.84 -0.95 1.26 0.08 0.02 0.00 0.00 175.30 176.56 3aaz s VAL 83 N 2.44 2.78 0.26 3.52 1.01 0.20 -4.71 120.40 125.91 3aaz s VAL 83 Ca 0.10 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.86 3aaz s VAL 83 Cb -0.14 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3aaz s VAL 83 CO -0.28 0.11 -0.11 -0.70 0.00 0.00 0.00 175.10 174.11 3aaz s GLU 84 N -2.17 1.52 0.23 2.72 2.12 -1.26 0.69 118.70 122.55 3aaz s GLU 84 Ca 0.55 -1.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.08 3aaz s GLU 84 Cb -0.36 -1.28 0.21 0.00 0.26 0.00 0.00 34.13 32.95 3aaz s GLU 84 CO 0.47 0.14 1.90 0.00 -0.54 0.00 0.00 175.26 177.23 3aaz h ALA 85 N 2.35 1.11 0.00 6.30 0.00 -1.92 -2.42 119.26 124.68 3aaz h ALA 85 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3aaz h ALA 85 Cb 1.23 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3aaz h ALA 85 CO 0.64 0.51 0.00 -0.85 0.00 0.00 0.00 179.25 179.55 3aaz n GLU 86 N -4.48 0.02 0.00 0.00 0.28 -1.08 -2.65 120.64 112.73 3aaz n GLU 86 Ca 0.09 0.39 0.16 0.00 -0.16 0.00 0.00 57.16 57.64 3aaz n GLU 86 Cb 0.02 -1.55 0.89 0.00 1.43 0.00 0.00 31.44 32.22 3aaz n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3aaz n ASP 87 N -1.59 0.05 -4.79 -1.84 10.43 -0.91 -4.89 116.55 113.00 3aaz n ASP 87 Ca 0.02 -0.81 -0.35 0.00 2.57 0.00 0.00 54.79 56.22 3aaz n ASP 87 Cb 0.09 -0.07 -0.04 0.00 1.84 0.00 0.00 41.12 42.95 3aaz n ASP 87 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3aaz s VAL 88 N -2.14 3.81 -5.00 2.53 0.11 -1.08 -4.87 120.40 113.76 3aaz s VAL 88 Ca 0.43 1.19 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 3aaz s VAL 88 Cb 0.22 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 3aaz s VAL 88 CO 0.39 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 3aaz n GLY 89 N -0.11 0.88 3.45 6.54 0.00 -1.24 -4.84 105.19 109.87 3aaz n GLY 89 Ca 0.08 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3aaz n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aaz s VAL 90 N -2.92 3.54 -0.13 1.61 1.01 -0.25 -1.29 120.40 121.96 3aaz s VAL 90 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3aaz s VAL 90 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3aaz s VAL 90 CO 0.00 0.51 0.07 -0.31 0.00 0.00 0.00 175.10 175.38 3aaz s TYR 91 N 0.27 3.35 -0.05 5.22 2.02 0.11 -0.12 117.35 128.15 3aaz s TYR 91 Ca -0.06 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 3aaz s TYR 91 Cb -0.15 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3aaz s TYR 91 CO 0.04 0.45 -0.12 0.71 -1.57 0.00 0.00 175.55 175.06 3aaz s TYR 92 N -0.47 1.35 0.20 2.71 1.51 -0.27 0.23 117.35 122.61 3aaz s TYR 92 Ca 0.10 -0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 55.64 3aaz s TYR 92 Cb -0.12 -0.98 -0.07 0.00 -0.11 0.00 0.00 41.96 40.69 3aaz s TYR 92 CO 0.02 -0.22 0.50 0.00 -1.11 0.00 0.00 175.55 174.74 3aaz s PHE 94 N -1.77 -0.25 -0.15 0.00 5.36 0.18 -0.34 117.98 121.01 3aaz s PHE 94 Ca 0.45 0.52 -0.20 0.00 -0.96 0.00 0.00 56.93 56.75 3aaz s PHE 94 Cb -0.11 -0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 42.27 3aaz s PHE 94 CO 0.22 -0.41 0.56 1.14 -1.46 0.00 0.00 175.22 175.27 3aaz s GLN 95 N 2.33 4.28 -0.22 10.12 1.03 -0.40 -0.57 119.66 136.23 3aaz s GLN 95 Ca 0.04 0.54 0.13 0.00 0.04 0.00 0.00 55.36 56.10 3aaz s GLN 95 Cb -0.13 -3.50 0.44 0.00 0.03 0.00 0.00 33.01 29.85 3aaz s GLN 95 CO -0.09 -0.03 1.19 0.00 -2.54 0.00 0.00 175.29 173.83 3aaz n ALA 96 N 4.31 3.88 -0.07 2.60 0.00 0.31 -2.44 120.51 129.10 3aaz n ALA 96 Ca -0.04 -3.31 -0.19 0.00 0.00 0.00 0.00 53.44 49.90 3aaz n ALA 96 Cb 0.51 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 3aaz n ALA 96 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3aaz n SER 97 N -0.73 1.91 -4.27 0.00 7.64 -1.26 -4.80 113.62 112.11 3aaz n SER 97 Ca 0.25 0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.89 3aaz n SER 97 Cb 0.85 -0.53 -0.15 0.00 -1.01 0.00 0.00 64.21 63.38 3aaz n SER 97 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3aaz s LEU 98 N -6.68 2.12 0.07 -3.43 1.43 -1.26 -4.92 118.68 106.00 3aaz s LEU 98 Ca -0.27 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 3aaz s LEU 98 Cb 0.08 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 3aaz s LEU 98 CO 0.69 0.23 0.91 -0.69 0.23 0.00 0.00 176.35 177.72 3aaz s VAL 99 N -0.68 4.65 0.27 -1.59 1.01 -1.26 -1.75 120.40 121.04 3aaz s VAL 99 Ca 0.09 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 3aaz s VAL 99 Cb -0.09 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3aaz s VAL 99 CO 0.01 0.30 1.26 -2.16 0.00 0.00 0.00 175.10 174.50 3aaz s PRO 100 N 0.21 4.43 0.20 2.72 0.04 -1.26 -4.85 135.00 136.50 3aaz s PRO 100 Ca 0.46 2.06 -0.33 0.00 0.04 0.00 0.00 61.00 63.23 3aaz s PRO 100 Cb -0.22 -3.14 -0.14 0.00 0.04 0.00 0.00 34.50 31.04 3aaz s PRO 100 CO 0.27 -0.11 1.50 1.28 0.04 0.00 0.00 177.00 179.98 3aaz n LEU 101 N 1.50 3.13 -4.03 -3.56 4.77 -0.72 -4.71 117.00 113.39 3aaz n LEU 101 Ca 0.02 1.11 -0.17 0.00 -0.03 0.00 0.00 56.01 56.94 3aaz n LEU 101 Cb 0.43 -1.43 -0.14 0.00 -2.33 0.00 0.00 43.42 39.95 3aaz n LEU 101 CO 0.57 -0.37 -0.42 0.42 -1.33 0.00 0.00 177.39 176.26 3aaz s THR 102 N 0.43 0.62 0.04 -5.08 -4.23 -1.02 -5.02 115.64 101.39 3aaz s THR 102 Ca 0.73 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 3aaz s THR 102 Cb -0.66 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 3aaz s THR 102 CO 0.44 0.02 0.07 -0.36 -0.54 0.00 0.00 174.62 174.24 3aaz s PHE 103 N -0.53 3.20 0.76 3.99 0.40 -1.26 -1.28 117.98 123.27 3aaz s PHE 103 Ca -0.00 0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 3aaz s PHE 103 Cb -0.05 -1.66 0.05 0.00 0.51 0.00 0.00 43.02 41.86 3aaz s PHE 103 CO 0.00 0.52 1.08 0.20 0.70 0.00 0.00 175.22 177.72 3aaz s GLY 104 N -2.07 1.66 0.00 4.36 0.00 0.54 -4.62 107.32 107.18 3aaz s GLY 104 Ca 0.26 0.13 0.25 0.00 0.00 0.00 0.00 44.72 45.35 3aaz s GLY 104 CO 0.18 0.48 1.84 0.61 0.00 0.00 0.00 173.10 176.21 3aaz n GLN 105 N -3.41 0.69 0.00 2.90 0.00 -1.26 -4.69 117.38 111.61 3aaz n GLN 105 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.09 3aaz n GLN 105 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.28 3aaz n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3aaz n GLY 106 N 0.59 -1.02 2.99 2.61 0.00 -1.26 -5.07 105.19 104.03 3aaz n GLY 106 Ca 0.17 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 3aaz n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aaz s THR 107 N -2.86 1.43 -0.45 2.61 2.01 0.14 -4.62 115.64 113.89 3aaz s THR 107 Ca 0.00 -0.55 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 3aaz s THR 107 Cb 0.00 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.17 3aaz s THR 107 CO 0.00 0.42 0.80 -0.75 -0.69 0.00 0.00 174.62 174.40 3aaz s LYS 108 N 1.54 3.42 0.01 4.92 2.47 0.17 0.08 119.74 132.36 3aaz s LYS 108 Ca 0.05 -0.07 -0.29 0.00 -1.56 0.00 0.00 55.97 54.09 3aaz s LYS 108 Cb -0.13 -3.94 -0.04 0.00 -1.46 0.00 0.00 37.83 32.27 3aaz s LYS 108 CO -0.10 -1.13 0.95 -1.17 0.16 0.00 0.00 175.35 174.06 3aaz s LEU 109 N 3.34 4.39 -0.13 5.43 0.20 -0.41 -0.81 118.68 130.68 3aaz s LEU 109 Ca 0.31 1.64 0.01 0.00 0.69 0.00 0.00 54.13 56.78 3aaz s LEU 109 Cb -0.12 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 3aaz s LEU 109 CO 0.23 -0.21 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.21 3aaz s GLU 110 N 0.82 3.23 -0.02 1.98 2.12 0.11 -3.59 118.70 123.35 3aaz s GLU 110 Ca 0.50 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 3aaz s GLU 110 Cb -0.21 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 3aaz s GLU 110 CO 0.27 0.14 1.05 0.42 -0.54 0.00 0.00 175.26 176.60 3aaz s ILE 111 N 0.51 4.64 -1.23 -3.70 -1.09 -1.26 -0.24 121.20 118.83 3aaz s ILE 111 Ca -0.11 1.90 -0.08 0.00 -2.23 0.00 0.00 60.65 60.13 3aaz s ILE 111 Cb -0.16 -4.22 0.20 0.00 -1.58 0.00 0.00 42.46 36.70 3aaz s ILE 111 CO 0.05 0.10 1.82 0.29 -1.23 0.00 0.00 174.94 175.97 3aaz n LYS 112 N 4.27 3.92 -0.85 2.79 4.76 0.57 -4.83 118.16 128.79 3aaz n LYS 112 Ca 0.08 -3.78 -0.25 0.00 -2.87 0.00 0.00 58.31 51.49 3aaz n LYS 112 Cb 0.49 -2.80 0.21 0.00 -1.84 0.00 0.00 35.03 31.09 3aaz n LYS 112 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3aaz n ARG 113 N 3.04 -2.80 -2.35 1.97 -4.01 -1.26 -4.37 116.66 106.88 3aaz n ARG 113 Ca 0.38 -1.44 -0.33 0.00 -1.04 0.00 0.00 57.85 55.42 3aaz n ARG 113 Cb 0.35 -1.36 -0.02 0.00 -3.04 0.00 0.00 32.46 28.39 3aaz n ARG 113 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 3aaz s THR 114 N -2.63 4.04 0.38 8.89 -4.23 -1.26 -5.00 115.64 115.83 3aaz s THR 114 Ca 0.59 1.08 -0.27 0.00 -1.18 0.00 0.00 61.69 61.90 3aaz s THR 114 Cb -0.06 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.18 3aaz s THR 114 CO 0.45 -0.46 1.37 0.68 -0.54 0.00 0.00 174.62 176.12 3aaz s VAL 115 N -2.33 2.43 -0.00 2.29 -7.23 -1.26 -4.83 120.40 109.46 3aaz s VAL 115 Ca 0.63 0.42 0.01 0.00 -1.81 0.00 0.00 61.98 61.23 3aaz s VAL 115 Cb -0.14 -3.26 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 3aaz s VAL 115 CO 0.28 0.09 -0.03 0.00 -0.31 0.00 0.00 175.10 175.12 3aaz s ALA 116 N -1.17 0.29 0.23 1.32 0.00 -0.36 -4.94 121.76 117.13 3aaz s ALA 116 Ca 0.53 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 3aaz s ALA 116 Cb -0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 3aaz s ALA 116 CO 0.55 0.07 0.74 0.00 0.00 0.00 0.00 175.76 177.12 3aaz s ALA 117 N -0.08 3.40 0.05 0.00 0.00 -1.26 -1.80 121.76 122.08 3aaz s ALA 117 Ca 0.01 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 3aaz s ALA 117 Cb -0.01 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 3aaz s ALA 117 CO -0.00 0.32 1.16 -1.25 0.00 0.00 0.00 175.76 175.99 3aaz s PRO 118 N -1.94 4.45 0.42 0.00 0.04 -1.26 -4.62 135.00 132.09 3aaz s PRO 118 Ca 0.43 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.93 3aaz s PRO 118 Cb -0.17 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.92 3aaz s PRO 118 CO 0.21 -0.22 1.35 -1.12 0.04 0.00 0.00 177.00 177.26 3aaz s SER 119 N 1.03 6.17 -0.17 6.66 0.01 -0.86 -4.78 113.70 121.76 3aaz s SER 119 Ca 0.58 2.75 0.01 0.00 1.31 0.00 0.00 55.95 60.60 3aaz s SER 119 Cb -0.28 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.33 3aaz s SER 119 CO 0.29 -0.96 -0.17 -0.69 0.41 0.00 0.00 173.24 172.12 3aaz s VAL 120 N -1.24 1.88 0.24 3.43 1.01 -1.26 -0.70 120.40 123.76 3aaz s VAL 120 Ca 0.58 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.82 3aaz s VAL 120 Cb -0.40 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3aaz s VAL 120 CO 0.52 0.49 -0.14 -0.36 0.00 0.00 0.00 175.10 175.60 3aaz s PHE 121 N 1.36 2.45 0.01 5.22 0.08 -0.11 -4.97 117.98 122.02 3aaz s PHE 121 Ca 0.04 -0.29 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 3aaz s PHE 121 Cb -0.13 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 3aaz s PHE 121 CO -0.12 0.61 0.02 -1.50 -0.10 0.00 0.00 175.22 174.13 3aaz s ILE 122 N -2.13 0.08 -0.06 0.64 2.07 -1.26 -0.71 121.20 119.83 3aaz s ILE 122 Ca 0.27 -0.68 -0.01 0.00 -1.41 0.00 0.00 60.65 58.82 3aaz s ILE 122 Cb -0.07 -0.25 0.03 0.00 0.13 0.00 0.00 42.46 42.30 3aaz s ILE 122 CO 0.15 -0.37 0.02 -0.36 -1.91 0.00 0.00 174.94 172.46 3aaz s PHE 123 N -1.14 0.45 0.72 3.50 0.08 0.01 -5.00 117.98 116.60 3aaz s PHE 123 Ca -0.12 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 3aaz s PHE 123 Cb -0.08 -0.65 0.02 0.00 -0.57 0.00 0.00 43.02 41.75 3aaz s PHE 123 CO -0.00 -0.26 1.07 -2.14 -0.10 0.00 0.00 175.22 173.79 3aaz s PRO 124 N 1.86 2.71 0.76 0.24 0.02 -1.26 -1.83 135.00 137.49 3aaz s PRO 124 Ca 0.02 0.80 -0.15 0.00 0.02 0.00 0.00 61.00 61.69 3aaz s PRO 124 Cb -0.12 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.47 3aaz s PRO 124 CO -0.04 -1.22 1.22 -0.35 -0.33 0.00 0.00 177.00 176.28 3aaz n PRO 125 N -3.19 0.46 -2.31 5.54 -0.04 -1.17 -4.85 135.00 129.44 3aaz n PRO 125 Ca 0.07 0.23 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 3aaz n PRO 125 Cb 0.55 -2.46 0.01 0.00 -0.04 0.00 0.00 33.50 31.55 3aaz n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3aaz s SER 126 N -1.89 6.21 0.20 3.54 1.04 -1.26 -4.97 113.70 116.57 3aaz s SER 126 Ca 0.76 1.12 -0.10 0.00 0.48 0.00 0.00 55.95 58.21 3aaz s SER 126 Cb -0.32 -2.31 0.21 0.00 0.10 0.00 0.00 66.02 63.71 3aaz s SER 126 CO 0.48 -0.73 1.79 0.44 0.98 0.00 0.00 173.24 176.20 3aaz h ASP 127 N -0.03 0.44 -0.19 7.02 3.32 -2.00 -2.62 116.42 122.37 3aaz h ASP 127 Ca -0.46 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.68 3aaz h ASP 127 Cb 1.20 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.64 3aaz h ASP 127 CO 0.62 0.29 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.68 3aaz h GLU 128 N 0.58 -0.43 -0.74 3.56 3.07 -1.98 0.10 114.58 118.74 3aaz h GLU 128 Ca 0.28 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.17 3aaz h GLU 128 Cb 0.20 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 3aaz h GLU 128 CO -0.19 -0.29 0.48 0.37 -1.40 0.00 0.00 179.01 177.98 3aaz h GLN 129 N -0.45 0.98 -0.31 2.33 4.15 -1.83 -2.62 115.11 117.36 3aaz h GLN 129 Ca 0.09 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 3aaz h GLN 129 Cb 0.61 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3aaz h GLN 129 CO -0.43 0.65 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.86 3aaz h LEU 130 N 1.00 0.70 -1.19 -2.39 3.38 -1.22 -2.37 115.31 113.23 3aaz h LEU 130 Ca 0.27 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3aaz h LEU 130 Cb -0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3aaz h LEU 130 CO -0.06 0.98 0.23 0.50 0.09 0.00 0.00 178.44 180.18 3aaz h LYS 131 N 0.43 0.00 -0.25 1.13 1.63 -0.59 0.25 116.57 119.17 3aaz h LYS 131 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3aaz h LYS 131 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3aaz h LYS 131 CO 0.05 0.00 0.00 -1.13 -3.45 0.00 0.00 179.45 174.92 3aaz n SER 132 N -2.23 2.70 0.00 4.20 3.41 -0.91 -5.01 113.62 115.79 3aaz n SER 132 Ca -0.01 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 3aaz n SER 132 Cb 0.26 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3aaz n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aaz n GLY 133 N 0.73 0.73 3.18 5.00 0.00 0.88 -5.08 105.19 110.64 3aaz n GLY 133 Ca 0.11 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 3aaz n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aaz s THR 134 N -2.00 0.94 -0.06 2.61 2.01 -1.11 -2.39 115.64 115.64 3aaz s THR 134 Ca 0.00 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.36 3aaz s THR 134 Cb 0.00 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.18 3aaz s THR 134 CO 0.00 -0.55 -0.00 0.00 -0.69 0.00 0.00 174.62 173.37 3aaz s ALA 135 N -2.42 0.61 -0.15 7.40 0.00 -0.31 -3.33 121.76 123.55 3aaz s ALA 135 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3aaz s ALA 135 Cb -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3aaz s ALA 135 CO 0.00 -0.34 -0.18 -1.12 0.00 0.00 0.00 175.76 174.12 3aaz s SER 136 N 1.70 2.90 -0.21 0.00 0.01 -1.26 -1.34 113.70 115.50 3aaz s SER 136 Ca 0.01 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 3aaz s SER 136 Cb -0.13 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 3aaz s SER 136 CO -0.04 -0.00 0.04 -0.69 0.41 0.00 0.00 173.24 172.96 3aaz s VAL 137 N 1.23 4.29 -0.16 3.43 1.01 0.33 -3.07 120.40 127.47 3aaz s VAL 137 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3aaz s VAL 137 Cb -0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3aaz s VAL 137 CO -0.09 0.40 -0.05 -0.69 0.00 0.00 0.00 175.10 174.67 3aaz s VAL 138 N 1.04 3.68 -0.14 2.92 1.01 -0.76 0.27 120.40 128.42 3aaz s VAL 138 Ca 0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3aaz s VAL 138 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3aaz s VAL 138 CO 0.02 0.49 0.07 0.00 0.00 0.00 0.00 175.10 175.68 3aaz s LEU 140 N -0.32 2.48 -0.24 0.00 2.96 0.11 -1.18 118.68 122.48 3aaz s LEU 140 Ca 0.09 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3aaz s LEU 140 Cb -0.12 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3aaz s LEU 140 CO 0.02 -0.02 0.09 -0.76 -1.32 0.00 0.00 176.35 174.35 3aaz s LEU 141 N 1.34 3.61 -0.05 -0.68 1.02 -0.51 -0.93 118.68 122.48 3aaz s LEU 141 Ca 0.04 -0.12 0.06 0.00 0.02 0.00 0.00 54.13 54.14 3aaz s LEU 141 Cb -0.14 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 3aaz s LEU 141 CO -0.09 0.00 -0.23 0.21 0.02 0.00 0.00 176.35 176.26 3aaz s ASN 142 N 1.40 3.26 -0.91 2.29 3.84 0.12 -1.25 114.94 123.69 3aaz s ASN 142 Ca 0.06 -0.44 -0.06 0.00 0.21 0.00 0.00 52.86 52.62 3aaz s ASN 142 Cb -0.15 -0.72 -0.01 0.00 -0.55 0.00 0.00 41.25 39.82 3aaz s ASN 142 CO 0.04 0.28 0.74 0.59 -2.79 0.00 0.00 177.10 175.97 3aaz n ASN 143 N 2.72 -6.45 -4.35 -4.21 3.02 0.08 -2.03 115.26 104.03 3aaz n ASN 143 Ca -0.17 -0.59 -0.18 0.00 -0.03 0.00 0.00 54.58 53.61 3aaz n ASN 143 Cb 0.52 -4.14 -0.10 0.00 -0.61 0.00 0.00 39.78 35.45 3aaz n ASN 143 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3aaz s PHE 144 N -3.18 1.68 -0.27 3.10 -0.71 -0.95 -4.51 117.98 113.14 3aaz s PHE 144 Ca 0.20 -0.69 -0.22 0.00 -1.04 0.00 0.00 56.93 55.18 3aaz s PHE 144 Cb -0.05 -0.87 0.08 0.00 -1.21 0.00 0.00 43.02 40.97 3aaz s PHE 144 CO 0.80 0.24 0.75 -0.47 -1.34 0.00 0.00 175.22 175.20 3aaz s TYR 145 N -3.10 -0.83 0.33 3.49 5.04 -0.74 -1.32 117.35 120.22 3aaz s TYR 145 Ca 0.24 1.88 -0.06 0.00 -2.44 0.00 0.00 57.07 56.70 3aaz s TYR 145 Cb 0.02 0.39 0.08 0.00 0.35 0.00 0.00 41.96 42.80 3aaz s TYR 145 CO 0.07 -0.40 0.30 -0.35 -1.34 0.00 0.00 175.55 173.83 3aaz n PRO 146 N 3.14 -1.55 -0.09 4.97 -0.04 -1.26 -1.22 135.00 138.95 3aaz n PRO 146 Ca -0.16 -0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 62.72 3aaz n PRO 146 Cb 0.56 -0.44 0.04 0.00 -0.04 0.00 0.00 33.50 33.62 3aaz n PRO 146 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3aaz h ARG 147 N 0.00 0.81 -6.52 0.54 9.65 -2.00 -3.45 114.38 113.42 3aaz h ARG 147 Ca -0.11 -0.39 -0.53 0.00 -1.10 0.00 0.00 59.98 57.85 3aaz h ARG 147 Cb 0.34 -0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3aaz h ARG 147 CO 0.07 1.02 0.82 -2.00 2.80 0.00 0.00 179.97 182.68 3aaz s GLU 148 N -4.43 4.27 -0.02 0.20 2.12 -1.26 -4.99 118.70 114.59 3aaz s GLU 148 Ca -0.10 2.16 -0.19 0.00 0.36 0.00 0.00 54.97 57.20 3aaz s GLU 148 Cb 0.12 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 31.21 3aaz s GLU 148 CO 0.85 -0.54 0.42 0.00 -0.54 0.00 0.00 175.26 175.45 3aaz s ALA 149 N 1.55 -1.06 -0.19 6.30 0.00 -1.26 -4.60 121.76 122.50 3aaz s ALA 149 Ca 0.67 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 3aaz s ALA 149 Cb -0.38 0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3aaz s ALA 149 CO 0.30 -0.31 -0.16 0.21 0.00 0.00 0.00 175.76 175.81 3aaz s LYS 150 N -1.40 3.09 -0.23 0.00 2.20 -0.66 -5.01 119.74 117.74 3aaz s LYS 150 Ca -0.12 -0.78 -0.00 0.00 -0.36 0.00 0.00 55.97 54.71 3aaz s LYS 150 Cb -0.03 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 3aaz s LYS 150 CO 0.05 -0.21 -0.12 0.08 -0.36 0.00 0.00 175.35 174.79 3aaz s VAL 151 N 1.34 2.50 -0.03 4.02 1.01 -1.26 -0.48 120.40 127.50 3aaz s VAL 151 Ca 0.05 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3aaz s VAL 151 Cb -0.13 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3aaz s VAL 151 CO -0.10 0.29 -0.09 -1.10 0.00 0.00 0.00 175.10 174.09 3aaz s GLN 152 N 1.28 2.59 -0.16 2.72 -0.21 0.97 -4.92 119.66 121.92 3aaz s GLN 152 Ca 0.01 -0.66 -0.07 0.00 0.02 0.00 0.00 55.36 54.65 3aaz s GLN 152 Cb -0.16 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 3aaz s GLN 152 CO -0.07 0.63 0.07 -1.58 -2.12 0.00 0.00 175.29 172.21 3aaz s TRP 153 N -0.86 3.29 -0.03 0.91 0.52 -1.26 0.34 118.94 121.84 3aaz s TRP 153 Ca 0.14 0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.46 3aaz s TRP 153 Cb -0.11 -2.03 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 3aaz s TRP 153 CO 0.03 0.27 -0.17 0.15 0.02 0.00 0.00 176.95 177.25 3aaz s LYS 154 N 0.06 1.64 -0.13 4.98 1.02 0.04 -1.08 119.74 126.28 3aaz s LYS 154 Ca 0.06 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 3aaz s LYS 154 Cb -0.12 -1.48 0.03 0.00 -0.52 0.00 0.00 37.83 35.74 3aaz s LYS 154 CO 0.01 0.28 -0.06 0.08 -0.92 0.00 0.00 175.35 174.74 3aaz s VAL 155 N -0.10 1.01 -1.68 3.17 1.01 -0.54 -0.79 120.40 122.49 3aaz s VAL 155 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 3aaz s VAL 155 Cb -0.10 -1.10 0.13 0.00 0.00 0.00 0.00 36.38 35.31 3aaz s VAL 155 CO 0.01 0.28 0.57 0.47 0.00 0.00 0.00 175.10 176.43 3aaz n ASP 156 N 4.93 -1.83 -0.47 3.32 8.00 0.10 -1.29 116.55 129.31 3aaz n ASP 156 Ca -0.12 -1.11 -0.06 0.00 0.71 0.00 0.00 54.79 54.21 3aaz n ASP 156 Cb 0.49 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.20 3aaz n ASP 156 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3aaz n ASN 157 N -2.70 -4.66 -4.72 -2.24 4.13 -1.26 -5.02 115.26 98.79 3aaz n ASN 157 Ca -0.04 0.15 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 3aaz n ASN 157 Cb 0.54 -2.70 -0.08 0.00 -1.54 0.00 0.00 39.78 36.00 3aaz n ASN 157 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3aaz s ALA 158 N -1.92 3.59 0.14 5.41 0.00 -0.41 -5.04 121.76 123.52 3aaz s ALA 158 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 3aaz s ALA 158 Cb 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.07 3aaz s ALA 158 CO 0.00 0.29 1.18 -1.17 0.00 0.00 0.00 175.76 176.06 3aaz s LEU 159 N -0.02 4.43 0.14 0.00 2.96 -1.26 -1.46 118.68 123.47 3aaz s LEU 159 Ca 0.08 2.12 -0.05 0.00 -0.22 0.00 0.00 54.13 56.06 3aaz s LEU 159 Cb -0.12 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3aaz s LEU 159 CO 0.00 -0.37 0.38 -1.10 -1.32 0.00 0.00 176.35 173.93 3aaz s GLN 160 N 0.22 3.61 0.02 1.98 -1.52 -0.24 -4.97 119.66 118.76 3aaz s GLN 160 Ca 0.54 -0.10 -0.01 0.00 -1.95 0.00 0.00 55.36 53.85 3aaz s GLN 160 Cb -0.31 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.62 3aaz s GLN 160 CO 0.33 0.46 -0.01 -1.12 -0.25 0.00 0.00 175.29 174.70 3aaz s SER 161 N -2.45 0.24 0.00 5.90 0.01 -1.26 -4.72 113.70 111.42 3aaz s SER 161 Ca 0.41 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.15 3aaz s SER 161 Cb -0.12 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3aaz s SER 161 CO 0.25 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.17 3aaz n GLY 162 N 1.44 1.92 0.07 3.44 0.00 -1.26 -4.75 105.19 106.05 3aaz n GLY 162 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3aaz n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3aaz n ASN 163 N 0.00 1.77 -4.41 1.61 6.94 -1.26 -5.04 115.26 114.87 3aaz n ASN 163 Ca 0.00 -2.34 -0.23 0.00 -0.02 0.00 0.00 54.58 51.99 3aaz n ASN 163 Cb 0.00 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.13 3aaz n ASN 163 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3aaz s SER 164 N -1.65 3.19 -0.12 0.53 1.04 -1.26 -1.90 113.70 113.53 3aaz s SER 164 Ca 0.13 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 3aaz s SER 164 Cb 0.11 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.04 3aaz s SER 164 CO 0.01 -0.01 0.29 0.00 0.98 0.00 0.00 173.24 174.51 3aaz s GLN 165 N -3.28 0.28 0.23 4.02 -2.07 -0.85 -4.94 119.66 113.04 3aaz s GLN 165 Ca 0.24 0.53 0.02 0.00 -1.82 0.00 0.00 55.36 54.33 3aaz s GLN 165 Cb -0.05 -0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.83 3aaz s GLN 165 CO 0.11 -0.12 0.39 -1.21 -1.32 0.00 0.00 175.29 173.14 3aaz s GLU 166 N 0.91 3.48 -0.12 9.60 2.02 -1.25 -0.39 118.70 132.94 3aaz s GLU 166 Ca -0.06 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.37 3aaz s GLU 166 Cb -0.07 -2.85 0.06 0.00 0.10 0.00 0.00 34.13 31.37 3aaz s GLU 166 CO -0.06 0.39 0.25 0.45 0.02 0.00 0.00 175.26 176.31 3aaz s SER 167 N -3.54 0.24 0.11 -0.19 0.15 0.46 -4.95 113.70 105.98 3aaz s SER 167 Ca 0.37 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.61 3aaz s SER 167 Cb -0.10 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 3aaz s SER 167 CO 0.30 -0.22 0.12 -0.69 1.20 0.00 0.00 173.24 173.95 3aaz s VAL 168 N 2.14 4.61 0.52 4.45 1.01 -1.26 -0.98 120.40 130.89 3aaz s VAL 168 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3aaz s VAL 168 Cb -0.12 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.00 3aaz s VAL 168 CO -0.08 0.03 0.75 0.42 0.00 0.00 0.00 175.10 176.21 3aaz s THR 169 N -1.55 3.20 0.54 3.92 -4.23 -0.68 -5.00 115.64 111.84 3aaz s THR 169 Ca 0.30 -0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 60.10 3aaz s THR 169 Cb -0.11 -3.20 -0.07 0.00 1.34 0.00 0.00 72.50 70.46 3aaz s THR 169 CO 0.23 -0.14 1.00 -1.61 -0.54 0.00 0.00 174.62 173.56 3aaz s GLU 170 N -4.71 3.84 0.08 3.99 0.41 -1.26 -4.67 118.70 116.38 3aaz s GLU 170 Ca 0.54 0.92 -0.36 0.00 -0.41 0.00 0.00 54.97 55.66 3aaz s GLU 170 Cb -0.10 -2.12 -0.18 0.00 -1.78 0.00 0.00 34.13 29.95 3aaz s GLU 170 CO 0.39 -0.36 1.00 0.94 -0.49 0.00 0.00 175.26 176.73 3aaz n GLN 171 N -1.85 0.33 -2.15 1.61 7.27 -1.26 -4.81 117.38 116.51 3aaz n GLN 171 Ca 0.07 0.12 -0.41 0.00 0.07 0.00 0.00 57.00 56.84 3aaz n GLN 171 Cb 0.54 -1.53 -0.03 0.00 2.41 0.00 0.00 30.24 31.64 3aaz n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3aaz s ASP 172 N -0.16 6.82 -0.00 1.69 -1.08 0.64 -4.88 116.67 119.70 3aaz s ASP 172 Ca 0.81 2.54 0.10 0.00 -0.52 0.00 0.00 52.55 55.48 3aaz s ASP 172 Cb -1.09 -2.62 0.28 0.00 -1.46 0.00 0.00 42.92 38.03 3aaz s ASP 172 CO 0.55 -0.55 1.24 -1.54 0.52 0.00 0.00 175.17 175.38 3aaz n SER 173 N 1.99 1.72 -0.08 -0.34 3.41 -1.26 -1.19 113.62 117.87 3aaz n SER 173 Ca 0.04 -2.00 -0.13 0.00 -0.26 0.00 0.00 58.87 56.52 3aaz n SER 173 Cb 0.42 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 3aaz n SER 173 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3aaz n LYS 174 N 0.44 0.37 0.00 4.33 3.00 -1.26 -2.65 118.16 122.39 3aaz n LYS 174 Ca 0.11 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 3aaz n LYS 174 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.08 3aaz n LYS 174 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3aaz n ASP 175 N -3.25 0.73 -1.39 3.14 5.68 -1.25 -4.94 116.55 115.26 3aaz n ASP 175 Ca -0.29 -0.92 -0.15 0.00 -0.50 0.00 0.00 54.79 52.93 3aaz n ASP 175 Cb 0.77 0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.84 3aaz n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3aaz n SER 176 N -0.12 -4.58 -4.90 -1.12 7.64 -0.33 -4.95 113.62 105.25 3aaz n SER 176 Ca 0.00 0.17 -0.20 0.00 1.01 0.00 0.00 58.87 59.84 3aaz n SER 176 Cb 0.03 -3.55 -0.03 0.00 -1.01 0.00 0.00 64.21 59.65 3aaz n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3aaz s THR 177 N -2.63 3.92 0.52 0.44 -4.23 -1.26 -4.58 115.64 107.81 3aaz s THR 177 Ca 0.00 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.35 3aaz s THR 177 Cb 0.00 -3.32 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3aaz s THR 177 CO 0.00 -0.20 0.51 -0.31 -0.54 0.00 0.00 174.62 174.08 3aaz s TYR 178 N -2.22 1.87 -0.02 3.99 1.51 -0.43 -0.26 117.35 121.78 3aaz s TYR 178 Ca 0.41 -0.71 -0.25 0.00 -1.01 0.00 0.00 57.07 55.51 3aaz s TYR 178 Cb -0.07 -2.07 0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3aaz s TYR 178 CO 0.28 -0.57 0.54 -1.12 -1.11 0.00 0.00 175.55 173.57 3aaz s SER 179 N -4.35 -0.48 -0.06 2.29 0.01 -1.26 -0.75 113.70 109.10 3aaz s SER 179 Ca 0.46 0.44 -0.07 0.00 1.31 0.00 0.00 55.95 58.09 3aaz s SER 179 Cb -0.04 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.67 3aaz s SER 179 CO 0.28 -0.58 0.19 -0.22 0.41 0.00 0.00 173.24 173.32 3aaz s LEU 180 N -1.35 1.29 -0.07 2.44 0.20 -0.38 -1.69 118.68 119.13 3aaz s LEU 180 Ca -0.11 0.31 -0.01 0.00 0.69 0.00 0.00 54.13 55.01 3aaz s LEU 180 Cb -0.02 0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 46.39 3aaz s LEU 180 CO 0.07 -0.11 -0.01 -0.94 -0.29 0.00 0.00 176.35 175.06 3aaz s SER 181 N -0.12 5.14 -0.17 3.68 1.04 -0.15 -1.43 113.70 121.69 3aaz s SER 181 Ca -0.02 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.52 3aaz s SER 181 Cb -0.02 -1.41 0.01 0.00 0.10 0.00 0.00 66.02 64.70 3aaz s SER 181 CO 0.01 0.36 -0.19 -0.55 0.98 0.00 0.00 173.24 173.85 3aaz s SER 182 N -0.98 3.25 -0.15 7.02 0.15 -0.33 -0.40 113.70 122.26 3aaz s SER 182 Ca 0.14 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.19 3aaz s SER 182 Cb -0.11 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 3aaz s SER 182 CO 0.03 0.02 -0.16 -0.89 1.20 0.00 0.00 173.24 173.44 3aaz s THR 183 N 1.17 2.56 -0.18 6.45 2.01 0.48 -0.89 115.64 127.24 3aaz s THR 183 Ca 0.02 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 3aaz s THR 183 Cb -0.14 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 3aaz s THR 183 CO -0.09 0.52 0.21 -0.22 -0.69 0.00 0.00 174.62 174.36 3aaz s LEU 184 N 0.81 4.23 -0.15 4.42 2.96 0.14 -2.01 118.68 129.08 3aaz s LEU 184 Ca -0.06 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3aaz s LEU 184 Cb -0.15 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.32 3aaz s LEU 184 CO -0.00 0.15 -0.16 0.42 -1.32 0.00 0.00 176.35 175.43 3aaz s THR 185 N 0.36 1.72 0.14 3.68 -4.23 -0.80 -0.51 115.64 116.00 3aaz s THR 185 Ca 0.13 -0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 3aaz s THR 185 Cb -0.12 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 3aaz s THR 185 CO 0.01 0.48 0.18 -0.76 -0.54 0.00 0.00 174.62 174.00 3aaz s LEU 186 N 1.37 1.37 0.58 4.79 1.43 -0.45 -4.86 118.68 122.91 3aaz s LEU 186 Ca 0.04 -0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 52.02 3aaz s LEU 186 Cb -0.13 0.85 -0.04 0.00 0.03 0.00 0.00 46.19 46.90 3aaz s LEU 186 CO -0.10 -0.80 1.08 -0.94 0.23 0.00 0.00 176.35 175.82 3aaz s SER 187 N -2.97 5.67 0.26 2.29 1.04 -1.26 -1.17 113.70 117.56 3aaz s SER 187 Ca 0.17 1.96 -0.02 0.00 0.48 0.00 0.00 55.95 58.54 3aaz s SER 187 Cb 0.05 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 64.11 3aaz s SER 187 CO -0.02 -1.24 1.76 0.50 0.98 0.00 0.00 173.24 175.22 3aaz h LYS 188 N 0.67 0.59 -0.49 4.02 3.64 -1.75 0.15 116.57 123.41 3aaz h LYS 188 Ca -0.48 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 3aaz h LYS 188 Cb 1.24 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 3aaz h LYS 188 CO 0.57 0.39 0.20 0.00 -2.27 0.00 0.00 179.45 178.34 3aaz h ALA 189 N 1.54 0.61 -0.27 5.00 0.00 -1.93 -1.83 119.26 122.38 3aaz h ALA 189 Ca 0.44 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 3aaz h ALA 189 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3aaz h ALA 189 CO -0.35 -0.17 -0.20 -0.44 0.00 0.00 0.00 179.25 178.09 3aaz h ASP 190 N 0.40 0.64 -0.57 0.00 3.45 -1.77 -3.01 116.42 115.57 3aaz h ASP 190 Ca 0.23 -0.44 0.07 0.00 0.43 0.00 0.00 57.03 57.32 3aaz h ASP 190 Cb 0.20 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 3aaz h ASP 190 CO -0.21 0.95 0.38 0.22 -1.57 0.00 0.00 179.24 179.01 3aaz h TYR 191 N 0.34 0.49 -0.01 4.55 3.20 -0.72 -1.79 116.97 123.04 3aaz h TYR 191 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3aaz h TYR 191 Cb 0.74 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3aaz h TYR 191 CO 0.07 0.26 -0.09 0.39 -1.64 0.00 0.00 178.16 177.15 3aaz n GLU 192 N -4.47 1.30 -0.02 1.82 1.02 -0.71 -3.41 120.64 116.16 3aaz n GLU 192 Ca 0.08 -0.71 0.10 0.00 -0.02 0.00 0.00 57.16 56.62 3aaz n GLU 192 Cb 0.28 -1.49 0.53 0.00 -0.02 0.00 0.00 31.44 30.74 3aaz n GLU 192 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3aaz n LYS 193 N -0.23 1.21 -3.93 3.49 5.02 -0.67 -4.92 118.16 118.12 3aaz n LYS 193 Ca 0.17 -0.31 -0.10 0.00 -2.02 0.00 0.00 58.31 56.05 3aaz n LYS 193 Cb 0.33 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 3aaz n LYS 193 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3aaz s HIS 194 N -1.95 0.19 -0.20 2.13 3.76 -1.22 -5.09 115.29 112.92 3aaz s HIS 194 Ca 0.31 -0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 54.68 3aaz s HIS 194 Cb 0.15 -0.14 -0.09 0.00 1.11 0.00 0.00 32.58 33.60 3aaz s HIS 194 CO 0.24 -0.32 -0.24 1.17 -0.85 0.00 0.00 174.74 174.74 3aaz n LYS 195 N 1.02 0.43 -3.64 1.40 4.81 -1.26 -4.70 118.16 116.22 3aaz n LYS 195 Ca -0.20 0.17 -0.38 0.00 -0.87 0.00 0.00 58.31 57.03 3aaz n LYS 195 Cb 0.57 -1.23 -0.12 0.00 0.02 0.00 0.00 35.03 34.27 3aaz n LYS 195 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3aaz s VAL 196 N -2.37 4.86 -0.23 3.15 1.01 -1.26 -0.77 120.40 124.79 3aaz s VAL 196 Ca -0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3aaz s VAL 196 Cb 0.10 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3aaz s VAL 196 CO 0.36 0.20 -0.05 -0.31 0.00 0.00 0.00 175.10 175.30 3aaz s TYR 197 N 1.68 3.00 -0.03 5.22 1.51 -0.68 0.00 117.35 128.06 3aaz s TYR 197 Ca 0.06 -1.23 0.02 0.00 -1.01 0.00 0.00 57.07 54.91 3aaz s TYR 197 Cb -0.16 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 3aaz s TYR 197 CO 0.08 -0.64 -0.08 0.00 -1.11 0.00 0.00 175.55 173.80 3aaz s ALA 198 N 1.41 0.79 -0.21 3.71 0.00 0.03 -1.47 121.76 126.02 3aaz s ALA 198 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 3aaz s ALA 198 Cb -0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3aaz s ALA 198 CO -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 175.76 175.78 3aaz s GLU 200 N 1.37 3.20 -0.21 0.00 2.12 0.15 -1.30 118.70 124.03 3aaz s GLU 200 Ca 0.04 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 3aaz s GLU 200 Cb -0.14 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 3aaz s GLU 200 CO -0.03 -0.24 -0.06 0.08 -0.54 0.00 0.00 175.26 174.46 3aaz s VAL 201 N 1.42 3.25 -0.06 3.70 1.01 -0.65 -0.02 120.40 129.03 3aaz s VAL 201 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3aaz s VAL 201 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3aaz s VAL 201 CO -0.05 0.45 -0.11 0.42 0.00 0.00 0.00 175.10 175.80 3aaz s THR 202 N 1.31 3.31 -0.20 3.92 -4.23 0.37 -2.07 115.64 118.05 3aaz s THR 202 Ca 0.04 -0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 3aaz s THR 202 Cb -0.14 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.42 3aaz s THR 202 CO -0.03 0.59 0.54 -2.28 -0.54 0.00 0.00 174.62 172.89 3aaz s HIS 203 N -0.65 -0.63 0.54 3.99 2.46 -1.26 -1.65 115.29 118.09 3aaz s HIS 203 Ca 0.10 1.48 0.44 0.00 0.47 0.00 0.00 55.06 57.55 3aaz s HIS 203 Cb -0.11 0.25 1.66 0.00 -0.13 0.00 0.00 32.58 34.24 3aaz s HIS 203 CO 0.01 -0.31 1.66 0.37 -2.47 0.00 0.00 174.74 174.00 3aaz h GLN 204 N 5.65 0.01 -0.01 2.88 -0.00 -1.95 0.21 115.11 121.90 3aaz h GLN 204 Ca -0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 3aaz h GLN 204 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.66 3aaz h GLN 204 CO 0.18 0.01 -0.06 0.41 0.00 0.00 0.00 178.83 179.37 3aaz n GLY 205 N -1.84 -0.23 3.75 2.39 0.00 -1.26 -4.81 105.19 103.17 3aaz n GLY 205 Ca 0.38 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3aaz n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aaz s LEU 206 N -2.13 3.84 0.49 0.99 1.43 0.73 -4.59 118.68 119.43 3aaz s LEU 206 Ca 0.35 0.24 0.29 0.00 -1.03 0.00 0.00 54.13 53.98 3aaz s LEU 206 Cb 0.21 -1.91 0.90 0.00 0.03 0.00 0.00 46.19 45.42 3aaz s LEU 206 CO 0.38 0.38 1.81 0.77 0.23 0.00 0.00 176.35 179.93 3aaz h SER 207 N 5.06 0.00 -4.86 2.29 4.64 -1.87 -3.44 113.55 115.37 3aaz h SER 207 Ca -0.52 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3aaz h SER 207 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 3aaz h SER 207 CO 0.56 0.00 0.29 -0.94 -0.87 0.00 0.00 176.83 175.87 3aaz s SER 208 N -5.83 -0.53 -0.23 4.97 1.04 -1.26 -5.14 113.70 106.72 3aaz s SER 208 Ca 0.04 0.16 -0.43 0.00 0.48 0.00 0.00 55.95 56.20 3aaz s SER 208 Cb 0.07 0.52 -0.19 0.00 0.10 0.00 0.00 66.02 66.52 3aaz s SER 208 CO 0.59 -0.78 1.39 -2.65 0.98 0.00 0.00 173.24 172.77 3aaz n PRO 209 N -0.04 0.23 -3.38 4.02 -0.02 -1.26 -4.94 135.00 129.61 3aaz n PRO 209 Ca -0.15 0.08 -0.38 0.00 -2.02 0.00 0.00 63.50 61.03 3aaz n PRO 209 Cb 0.62 -1.62 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 3aaz n PRO 209 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3aaz s VAL 210 N 1.70 5.20 -0.04 -1.45 0.11 -0.88 -4.91 120.40 120.12 3aaz s VAL 210 Ca 0.97 0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 60.67 3aaz s VAL 210 Cb -1.32 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 29.76 3aaz s VAL 210 CO 0.68 0.25 0.22 -0.89 -3.33 0.00 0.00 175.10 172.02 3aaz s THR 211 N 1.31 5.38 -0.05 5.04 2.01 -1.26 -1.64 115.64 126.43 3aaz s THR 211 Ca 0.19 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.41 3aaz s THR 211 Cb -0.15 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.85 3aaz s THR 211 CO 0.08 0.47 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.78 3aaz s LYS 212 N -1.48 1.75 0.25 4.92 -0.14 -0.42 -4.97 119.74 119.65 3aaz s LYS 212 Ca 0.23 -0.56 0.01 0.00 -1.36 0.00 0.00 55.97 54.28 3aaz s LYS 212 Cb -0.13 -1.50 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 3aaz s LYS 212 CO 0.12 0.19 0.21 -1.54 -0.76 0.00 0.00 175.35 173.58 3aaz s SER 213 N 0.17 0.63 0.18 2.83 1.04 -1.26 -0.32 113.70 116.97 3aaz s SER 213 Ca -0.06 -1.48 -0.24 0.00 0.48 0.00 0.00 55.95 54.65 3aaz s SER 213 Cb -0.12 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.51 3aaz s SER 213 CO 0.03 -0.95 0.78 0.72 0.98 0.00 0.00 173.24 174.80 3aaz s PHE 214 N -3.88 -0.28 -0.18 5.02 -0.12 -0.54 -4.98 117.98 113.02 3aaz s PHE 214 Ca 0.38 -0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 57.20 3aaz s PHE 214 Cb 0.05 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 43.05 3aaz s PHE 214 CO 0.17 -0.94 -0.06 -0.80 -0.05 0.00 0.00 175.22 173.54 3aaz s ASN 215 N -2.82 4.36 0.23 1.98 0.01 -1.26 -1.69 114.94 115.75 3aaz s ASN 215 Ca 0.08 -0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.63 3aaz s ASN 215 Cb -0.03 -1.72 -0.15 0.00 0.41 0.00 0.00 41.25 39.76 3aaz s ASN 215 CO -0.01 0.08 1.06 -1.14 -1.51 0.00 0.00 177.10 175.58 3aaz n ARG 216 N 4.12 1.20 -0.42 -0.60 0.63 0.05 -1.90 116.66 119.73 3aaz n ARG 216 Ca -0.18 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3aaz n ARG 216 Cb 0.52 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.59 3aaz n ARG 216 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3aaz n GLY 217 N 1.66 0.60 3.70 5.14 0.00 -1.26 -4.95 105.19 110.07 3aaz n GLY 217 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3aaz n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3aaz s GLU 218 N -0.41 2.61 0.03 1.61 2.02 -0.80 -5.11 118.70 118.66 3aaz s GLU 218 Ca 0.00 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 53.95 3aaz s GLU 218 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 3aaz s GLU 218 CO 0.00 0.55 0.73 0.00 0.02 0.00 0.00 175.26 176.56 3aaz s ALA 220 N -0.06 2.65 0.13 0.00 0.00 -1.26 -4.94 121.76 118.28 3aaz s ALA 220 Ca 0.37 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 53.43 3aaz s ALA 220 Cb -0.20 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 3aaz s ALA 220 CO 0.22 -1.42 1.67 0.00 0.00 0.00 0.00 175.76 176.23 3aaz h ALA 221 N 1.12 0.49 0.00 0.00 0.00 -2.02 -0.82 119.26 118.03 3aaz h ALA 221 Ca -0.51 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3aaz h ALA 221 Cb 1.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3aaz h ALA 221 CO 0.56 0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.94 3aaz n ALA 222 N -2.30 1.00 -1.01 0.00 0.00 -1.26 -1.85 120.51 115.09 3aaz n ALA 222 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.63 3aaz n ALA 222 Cb 0.15 -1.25 0.34 0.00 0.00 0.00 0.00 19.45 18.68 3aaz n ALA 222 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3aaz n ASP 223 N -2.22 4.99 -4.48 0.00 8.00 -0.31 -5.00 116.55 117.53 3aaz n ASP 223 Ca -0.01 -3.12 -0.55 0.00 0.71 0.00 0.00 54.79 51.82 3aaz n ASP 223 Cb 0.06 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.40 3aaz n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3aaz n TYR 224 N 0.05 0.39 -4.03 1.24 4.19 -0.77 -4.89 117.16 113.33 3aaz n TYR 224 Ca 0.34 1.00 -0.12 0.00 3.31 0.00 0.00 57.90 62.43 3aaz n TYR 224 Cb 1.26 -2.07 -0.11 0.00 0.49 0.00 0.00 39.34 38.90 3aaz n TYR 224 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 3aaz s LYS 225 N -0.29 0.42 0.61 2.98 -0.14 -1.26 -5.15 119.74 116.91 3aaz s LYS 225 Ca 0.82 -0.65 -0.17 0.00 -1.36 0.00 0.00 55.97 54.62 3aaz s LYS 225 Cb -1.14 -0.13 -0.02 0.00 -1.68 0.00 0.00 37.83 34.86 3aaz s LYS 225 CO 0.56 0.01 1.11 -0.51 -0.76 0.00 0.00 175.35 175.76 3aaz s ASP 226 N -1.41 5.40 0.50 2.83 1.01 -1.26 -5.02 116.67 118.71 3aaz s ASP 226 Ca -0.11 2.03 -0.21 0.00 0.71 0.00 0.00 52.55 54.97 3aaz s ASP 226 Cb -0.09 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 3aaz s ASP 226 CO -0.00 -1.43 1.10 -1.81 0.21 0.00 0.00 175.17 173.23 3aaz s ASP 227 N -2.34 6.08 0.00 0.27 1.01 -1.26 -5.33 116.67 115.10 3aaz s ASP 227 Ca 0.68 2.11 0.24 0.00 0.71 0.00 0.00 52.55 56.30 3aaz s ASP 227 Cb -0.21 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.34 3aaz s ASP 227 CO 0.36 -0.97 1.26 0.47 0.21 0.00 0.00 175.17 176.51