#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 -0.70 -0.13 5.18 1.10 -1.26 -4.92 121.20 120.46 3aaz s ILE 2 Ca 0.00 -0.29 -0.13 0.00 -0.51 0.00 0.00 60.65 59.72 3aaz s ILE 2 Cb 0.00 -0.86 -0.05 0.00 0.15 0.00 0.00 42.46 41.70 3aaz s ILE 2 CO 0.00 -0.24 0.29 -0.69 -2.11 0.00 0.00 174.94 172.19 3aaz s VAL 3 N 2.40 5.29 -0.24 4.00 1.01 -1.26 -4.79 120.40 126.81 3aaz s VAL 3 Ca 0.11 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 3aaz s VAL 3 Cb -0.11 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3aaz s VAL 3 CO -0.24 0.44 -0.01 -0.04 0.00 0.00 0.00 175.10 175.25 3aaz s MET 4 N 0.06 3.29 -0.08 2.72 -1.94 -1.26 -1.98 119.30 120.11 3aaz s MET 4 Ca 0.17 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3aaz s MET 4 Cb -0.13 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.56 3aaz s MET 4 CO 0.05 -0.27 -0.04 0.99 -0.01 0.00 0.00 175.02 175.75 3aaz s THR 5 N 1.48 3.97 0.09 2.05 2.01 -0.16 -4.08 115.64 121.00 3aaz s THR 5 Ca 0.05 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.75 3aaz s THR 5 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3aaz s THR 5 CO -0.02 0.60 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.25 3aaz s GLN 6 N -0.77 1.96 -0.06 4.92 -0.21 -1.26 -1.11 119.66 123.13 3aaz s GLN 6 Ca 0.12 -1.08 -0.02 0.00 0.02 0.00 0.00 55.36 54.40 3aaz s GLN 6 Cb -0.11 -2.19 0.04 0.00 1.00 0.00 0.00 33.01 31.75 3aaz s GLN 6 CO 0.02 0.51 0.12 0.45 -2.12 0.00 0.00 175.29 174.26 3aaz s SER 7 N -1.93 0.24 0.55 5.90 0.15 -0.49 -4.57 113.70 113.55 3aaz s SER 7 Ca 0.18 0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.08 3aaz s SER 7 Cb -0.11 0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.42 3aaz s SER 7 CO 0.09 -0.18 0.64 -0.81 1.20 0.00 0.00 173.24 174.18 3aaz n PRO 8 N 4.57 0.31 0.03 5.44 -0.04 -1.26 -1.20 135.00 142.85 3aaz n PRO 8 Ca -0.19 -1.93 -0.02 0.00 -0.04 0.00 0.00 63.50 61.32 3aaz n PRO 8 Cb 0.51 -0.36 -0.09 0.00 -0.04 0.00 0.00 33.50 33.52 3aaz n PRO 8 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3aaz h LEU 9 N 0.00 0.00 -8.05 1.53 3.38 -1.85 -3.43 115.31 106.90 3aaz h LEU 9 Ca -0.21 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.16 3aaz h LEU 9 Cb 0.83 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.24 3aaz h LEU 9 CO 0.25 0.68 -0.84 -0.44 0.09 0.00 0.00 178.44 178.17 3aaz s SER 10 N -5.93 2.53 -0.31 -0.43 0.01 -1.26 -0.23 113.70 108.07 3aaz s SER 10 Ca -0.03 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3aaz s SER 10 Cb 0.08 -1.14 0.10 0.00 0.21 0.00 0.00 66.02 65.27 3aaz s SER 10 CO 0.81 0.03 0.06 -0.22 0.41 0.00 0.00 173.24 174.33 3aaz s LEU 11 N 0.91 3.39 -0.04 2.44 2.96 0.12 -4.94 118.68 123.52 3aaz s LEU 11 Ca -0.08 -1.82 -0.28 0.00 -0.22 0.00 0.00 54.13 51.73 3aaz s LEU 11 Cb -0.15 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 3aaz s LEU 11 CO -0.01 -0.38 0.91 -2.16 -1.32 0.00 0.00 176.35 173.39 3aaz s PRO 12 N 1.28 4.49 -0.05 0.98 0.04 -1.26 0.13 135.00 140.62 3aaz s PRO 12 Ca 0.09 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 3aaz s PRO 12 Cb -0.18 -3.48 0.03 0.00 0.04 0.00 0.00 34.50 30.91 3aaz s PRO 12 CO -0.16 -0.08 0.11 0.08 0.04 0.00 0.00 177.00 176.99 3aaz s VAL 13 N 1.20 -0.03 0.03 -0.36 1.01 0.57 -4.88 120.40 117.94 3aaz s VAL 13 Ca 0.47 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 3aaz s VAL 13 Cb -0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3aaz s VAL 13 CO 0.23 0.05 1.23 -0.89 0.00 0.00 0.00 175.10 175.72 3aaz s THR 14 N 0.74 4.02 0.27 3.92 2.01 -1.26 0.10 115.64 125.44 3aaz s THR 14 Ca -0.06 1.43 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 3aaz s THR 14 Cb -0.08 -3.92 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 3aaz s THR 14 CO -0.03 0.07 1.61 -2.84 -0.69 0.00 0.00 174.62 172.74 3aaz s PRO 15 N 1.45 4.13 0.00 4.92 0.02 -1.26 -1.46 135.00 142.80 3aaz s PRO 15 Ca 0.59 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.17 3aaz s PRO 15 Cb -0.29 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3aaz s PRO 15 CO 0.27 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 3aaz n GLY 16 N 2.60 2.19 3.88 0.52 0.00 0.67 -4.95 105.19 110.09 3aaz n GLY 16 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.97 3.43 0.74 1.61 2.12 -0.54 -4.45 118.70 120.63 3aaz s GLU 17 Ca 0.00 0.60 -0.12 0.00 0.36 0.00 0.00 54.97 55.81 3aaz s GLU 17 Cb 0.00 -2.11 0.04 0.00 0.26 0.00 0.00 34.13 32.32 3aaz s GLU 17 CO 0.00 -0.62 1.10 -1.25 -0.54 0.00 0.00 175.26 173.95 3aaz s PRO 18 N -5.16 2.41 0.02 4.30 0.04 -1.22 -0.53 135.00 134.87 3aaz s PRO 18 Ca 0.55 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 3aaz s PRO 18 Cb -0.11 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3aaz s PRO 18 CO 0.52 -1.54 0.13 0.00 0.04 0.00 0.00 177.00 176.15 3aaz s ALA 19 N -2.69 -0.24 -0.18 8.56 0.00 0.42 -4.86 121.76 122.77 3aaz s ALA 19 Ca 0.63 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 3aaz s ALA 19 Cb -0.19 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.17 3aaz s ALA 19 CO 0.51 -0.26 0.44 0.45 0.00 0.00 0.00 175.76 176.90 3aaz s SER 20 N -1.72 -0.54 -0.02 0.00 0.15 -1.26 -1.55 113.70 108.76 3aaz s SER 20 Ca -0.10 0.95 0.06 0.00 0.70 0.00 0.00 55.95 57.55 3aaz s SER 20 Cb -0.05 0.85 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 3aaz s SER 20 CO -0.01 -0.19 -0.20 -0.63 1.20 0.00 0.00 173.24 173.40 3aaz s ILE 21 N 1.22 1.62 -0.06 6.45 1.01 -0.44 -4.73 121.20 126.27 3aaz s ILE 21 Ca -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3aaz s ILE 21 Cb -0.07 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3aaz s ILE 21 CO -0.11 0.46 0.12 -0.55 0.00 0.00 0.00 174.94 174.86 3aaz s SER 22 N -0.43 6.10 -0.26 3.58 0.15 -0.34 -2.01 113.70 120.49 3aaz s SER 22 Ca 0.07 0.33 -0.04 0.00 0.70 0.00 0.00 55.95 57.01 3aaz s SER 22 Cb -0.08 -1.89 0.09 0.00 -1.71 0.00 0.00 66.02 62.42 3aaz s SER 22 CO -0.00 0.34 0.11 0.00 1.20 0.00 0.00 173.24 174.88 3aaz s ARG 24 N 2.03 3.26 0.13 0.00 0.52 -0.27 -1.39 118.95 123.23 3aaz s ARG 24 Ca 0.07 -0.25 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3aaz s ARG 24 Cb -0.16 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3aaz s ARG 24 CO -0.27 0.74 0.01 -1.54 0.02 0.00 0.00 175.30 174.25 3aaz s SER 25 N -0.95 4.95 0.00 0.23 1.04 -0.61 -0.98 113.70 117.38 3aaz s SER 25 Ca 0.14 -0.27 0.28 0.00 0.48 0.00 0.00 55.95 56.59 3aaz s SER 25 Cb -0.12 -1.13 1.06 0.00 0.10 0.00 0.00 66.02 65.93 3aaz s SER 25 CO 0.03 0.13 1.79 -1.54 0.98 0.00 0.00 173.24 174.63 3aaz n SER 26 N 0.22 0.21 -3.86 7.02 3.41 -0.84 -4.79 113.62 114.99 3aaz n SER 26 Ca -0.10 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 3aaz n SER 26 Cb 0.53 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 3aaz n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aaz s GLN 27 N -2.89 1.34 0.24 4.33 -2.07 -1.26 -5.01 119.66 114.35 3aaz s GLN 27 Ca 0.17 -1.04 -0.31 0.00 -1.82 0.00 0.00 55.36 52.36 3aaz s GLN 27 Cb 0.19 0.47 -0.13 0.00 -1.09 0.00 0.00 33.01 32.44 3aaz s GLN 27 CO 0.56 -0.55 1.47 0.45 -1.32 0.00 0.00 175.29 175.90 3aaz n SER 28 N -0.31 3.03 -1.84 12.60 2.88 -1.26 -4.77 113.62 123.95 3aaz n SER 28 Ca -0.08 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.51 3aaz n SER 28 Cb 0.62 -1.46 0.26 0.00 -0.75 0.00 0.00 64.21 62.88 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 2.15 2.90 -2.48 2.46 -5.35 -1.06 -4.94 119.36 113.03 3aaz n ILE 29 Ca 0.12 -1.90 -0.43 0.00 -0.27 0.00 0.00 62.75 60.27 3aaz n ILE 29 Cb 0.32 -0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 37.83 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 -3.10 4.36 0.55 7.28 1.01 -1.26 -3.97 120.40 125.28 3aaz s VAL 30 Ca 0.53 1.66 -0.20 0.00 0.00 0.00 0.00 61.98 63.97 3aaz s VAL 30 Cb 0.44 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3aaz s VAL 30 CO 0.10 -0.10 1.18 -2.28 0.00 0.00 0.00 175.10 174.00 3aaz s HIS 31 N 3.07 2.56 0.32 5.22 2.46 0.19 -4.92 115.29 124.18 3aaz s HIS 31 Ca 0.53 1.52 0.09 0.00 0.47 0.00 0.00 55.06 57.68 3aaz s HIS 31 Cb -0.21 -3.40 0.89 0.00 -0.13 0.00 0.00 32.58 29.72 3aaz s HIS 31 CO 0.15 -1.89 1.72 0.66 -2.47 0.00 0.00 174.74 172.91 3aaz h SER 32 N 1.18 0.64 0.05 9.88 4.64 -1.92 0.14 113.55 128.16 3aaz h SER 32 Ca -0.50 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3aaz h SER 32 Cb 1.28 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3aaz h SER 32 CO 0.57 0.08 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 3aaz n ASN 33 N -4.91 0.00 0.00 4.97 0.23 -1.26 -4.81 115.26 109.48 3aaz n ASN 33 Ca 0.27 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 3aaz n ASN 33 Cb 0.75 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 3aaz n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3aaz n GLY 34 N -0.75 3.06 3.87 4.83 0.00 0.49 -5.07 105.19 111.63 3aaz n GLY 34 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.80 3.42 -0.31 1.61 3.76 -1.25 -4.75 115.29 114.98 3aaz s HIS 35 Ca 0.00 0.97 -0.07 0.00 -0.15 0.00 0.00 55.06 55.81 3aaz s HIS 35 Cb 0.00 -2.34 0.01 0.00 1.11 0.00 0.00 32.58 31.36 3aaz s HIS 35 CO 0.00 0.17 0.10 0.99 -0.85 0.00 0.00 174.74 175.14 3aaz s THR 36 N -1.95 4.01 -1.20 1.30 2.01 -1.26 0.53 115.64 119.07 3aaz s THR 36 Ca 0.49 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 3aaz s THR 36 Cb -0.11 -3.11 0.22 0.00 0.01 0.00 0.00 72.50 69.52 3aaz s THR 36 CO 0.22 0.02 1.68 -1.22 -0.69 0.00 0.00 174.62 174.63 3aaz n TYR 37 N 4.87 2.92 -3.75 4.92 4.02 -1.25 -4.13 117.16 124.76 3aaz n TYR 37 Ca -0.14 -2.79 -0.37 0.00 -0.01 0.00 0.00 57.90 54.59 3aaz n TYR 37 Cb 0.47 -1.71 -0.12 0.00 -0.02 0.00 0.00 39.34 37.96 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 -1.01 3.60 0.07 7.72 2.96 -1.26 -0.47 118.68 130.27 3aaz s LEU 38 Ca 0.36 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 3aaz s LEU 38 Cb 0.06 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3aaz s LEU 38 CO 0.04 -0.09 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.23 3aaz s GLU 39 N 1.58 2.12 -0.04 1.98 2.02 -0.28 -0.86 118.70 125.22 3aaz s GLU 39 Ca 0.05 -0.98 0.05 0.00 0.02 0.00 0.00 54.97 54.11 3aaz s GLU 39 Cb -0.16 -2.27 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 3aaz s GLU 39 CO 0.03 0.53 -0.21 -1.58 0.02 0.00 0.00 175.26 174.06 3aaz s TRP 40 N -1.06 2.00 0.21 1.61 0.52 0.04 -0.17 118.94 122.08 3aaz s TRP 40 Ca 0.18 -0.55 0.10 0.00 0.02 0.00 0.00 56.10 55.84 3aaz s TRP 40 Cb -0.11 -1.32 -0.05 0.00 -1.15 0.00 0.00 33.47 30.85 3aaz s TRP 40 CO 0.09 -0.16 -0.19 0.71 0.02 0.00 0.00 176.95 177.42 3aaz s TYR 41 N -0.13 1.97 -0.15 -1.98 1.51 0.14 -0.64 117.35 118.08 3aaz s TYR 41 Ca -0.02 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3aaz s TYR 41 Cb -0.12 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 3aaz s TYR 41 CO 0.02 0.46 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.55 3aaz s LEU 42 N -3.03 2.03 -0.22 -1.29 2.96 -0.37 -1.44 118.68 117.31 3aaz s LEU 42 Ca 0.22 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3aaz s LEU 42 Cb -0.05 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3aaz s LEU 42 CO 0.09 0.04 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.54 3aaz s GLN 43 N 1.02 3.36 0.01 1.98 0.74 0.18 -0.66 119.66 126.29 3aaz s GLN 43 Ca -0.03 -0.63 -0.24 0.00 0.05 0.00 0.00 55.36 54.50 3aaz s GLN 43 Cb -0.15 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 3aaz s GLN 43 CO -0.06 -0.21 0.74 0.15 -0.55 0.00 0.00 175.29 175.37 3aaz s LYS 44 N 1.48 4.47 -0.03 1.67 -0.14 -1.26 -0.62 119.74 125.31 3aaz s LYS 44 Ca 0.06 1.00 -0.03 0.00 -1.36 0.00 0.00 55.97 55.64 3aaz s LYS 44 Cb -0.14 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.60 3aaz s LYS 44 CO -0.03 0.21 0.09 -2.30 -0.76 0.00 0.00 175.35 172.56 3aaz n PRO 45 N 3.14 0.00 -1.93 -1.68 -0.01 -1.26 -1.80 135.00 131.46 3aaz n PRO 45 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 63.50 63.28 3aaz n PRO 45 Cb 0.51 -0.09 -0.05 0.00 -0.01 0.00 0.00 33.50 33.86 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 0.24 0.76 3.14 -1.23 0.00 -1.26 -4.96 105.19 101.88 3aaz n GLY 46 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3aaz n GLY 46 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3aaz s GLN 47 N -4.23 0.74 0.21 1.61 0.74 -0.75 -5.14 119.66 112.84 3aaz s GLN 47 Ca 0.00 -1.18 -0.30 0.00 0.05 0.00 0.00 55.36 53.93 3aaz s GLN 47 Cb 0.00 0.26 -0.08 0.00 1.10 0.00 0.00 33.01 34.28 3aaz s GLN 47 CO 0.00 -0.18 1.15 0.45 -0.55 0.00 0.00 175.29 176.16 3aaz s SER 48 N -2.92 7.17 0.42 6.67 0.15 -1.26 -4.58 113.70 119.34 3aaz s SER 48 Ca 0.09 2.21 -0.24 0.00 0.70 0.00 0.00 55.95 58.71 3aaz s SER 48 Cb 0.07 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 3aaz s SER 48 CO -0.08 -0.29 1.14 -2.16 1.20 0.00 0.00 173.24 173.05 3aaz s PRO 49 N -0.56 3.99 -0.09 5.44 0.04 -1.26 -4.64 135.00 137.91 3aaz s PRO 49 Ca 0.50 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.32 3aaz s PRO 49 Cb -0.32 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 3aaz s PRO 49 CO 0.37 -0.34 -0.23 0.50 0.04 0.00 0.00 177.00 177.34 3aaz s ARG 50 N -2.47 2.96 0.11 4.56 3.52 0.16 -4.91 118.95 122.89 3aaz s ARG 50 Ca 0.59 -0.87 -0.31 0.00 -0.13 0.00 0.00 55.73 55.01 3aaz s ARG 50 Cb -0.28 -2.30 -0.08 0.00 -1.56 0.00 0.00 34.95 30.73 3aaz s ARG 50 CO 0.35 0.23 1.45 -1.17 -0.81 0.00 0.00 175.30 175.35 3aaz s LEU 51 N 0.22 4.37 -0.21 -0.88 2.96 -1.26 -1.23 118.68 122.64 3aaz s LEU 51 Ca -0.15 2.39 -0.15 0.00 -0.22 0.00 0.00 54.13 56.00 3aaz s LEU 51 Cb -0.17 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 3aaz s LEU 51 CO 0.08 -0.71 -0.33 0.18 -1.32 0.00 0.00 176.35 174.24 3aaz n LEU 52 N 4.19 1.85 -4.06 -0.68 4.77 0.18 -4.74 117.00 118.52 3aaz n LEU 52 Ca 0.12 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 3aaz n LEU 52 Cb 0.41 -0.74 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 3aaz n LEU 52 CO 0.59 0.15 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.74 3aaz s ILE 53 N -2.65 0.81 0.25 -0.08 -1.09 -1.18 -0.68 121.20 116.58 3aaz s ILE 53 Ca -0.32 -0.56 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 3aaz s ILE 53 Cb 0.09 -0.70 -0.05 0.00 -1.58 0.00 0.00 42.46 40.22 3aaz s ILE 53 CO 0.43 0.14 0.07 -0.72 -1.23 0.00 0.00 174.94 173.63 3aaz s TYR 54 N -0.41 1.52 -1.53 3.97 -0.85 0.66 -0.78 117.35 119.93 3aaz s TYR 54 Ca 0.02 -1.12 -0.10 0.00 -0.52 0.00 0.00 57.07 55.36 3aaz s TYR 54 Cb -0.05 -0.90 0.07 0.00 0.38 0.00 0.00 41.96 41.47 3aaz s TYR 54 CO -0.00 -0.26 0.71 1.04 -1.52 0.00 0.00 175.55 175.52 3aaz n GLN 55 N -0.44 -3.99 0.00 -3.49 1.13 -0.62 -0.70 117.38 109.27 3aaz n GLN 55 Ca -0.02 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 3aaz n GLN 55 Cb 0.66 -5.03 0.00 0.00 0.11 0.00 0.00 30.24 25.98 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 -4.46 0.00 -0.72 5.09 0.31 -0.04 -4.09 118.33 114.43 3aaz n VAL 56 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3aaz n VAL 56 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 2.68 0.50 -4.64 4.52 3.41 -1.17 -3.74 113.62 115.17 3aaz n SER 57 Ca 0.00 -1.21 -0.38 0.00 -0.26 0.00 0.00 58.87 57.02 3aaz n SER 57 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.21 5.25 -0.14 6.66 2.01 0.12 -4.49 115.64 124.84 3aaz s THR 58 Ca 0.00 0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 3aaz s THR 58 Cb 0.00 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 3aaz s THR 58 CO 0.00 0.26 1.11 -0.60 -0.69 0.00 0.00 174.62 174.70 3aaz s ARG 59 N 1.45 4.32 0.62 4.92 3.52 -1.26 -0.25 118.95 132.28 3aaz s ARG 59 Ca 0.13 1.50 -0.18 0.00 -0.13 0.00 0.00 55.73 57.05 3aaz s ARG 59 Cb -0.15 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 3aaz s ARG 59 CO 0.08 -0.52 1.21 0.12 -0.81 0.00 0.00 175.30 175.37 3aaz s PHE 60 N 2.72 2.33 0.49 5.12 5.36 0.15 -4.94 117.98 129.20 3aaz s PHE 60 Ca 0.50 1.53 -0.24 0.00 -0.96 0.00 0.00 56.93 57.76 3aaz s PHE 60 Cb -0.19 -3.47 -0.07 0.00 -0.34 0.00 0.00 43.02 38.94 3aaz s PHE 60 CO 0.14 -2.30 1.35 -1.13 -1.46 0.00 0.00 175.22 171.83 3aaz n SER 61 N -1.85 2.81 0.00 6.13 3.41 -1.26 -2.54 113.62 120.32 3aaz n SER 61 Ca 0.14 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 3aaz n SER 61 Cb 0.50 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 3aaz n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aaz n GLY 62 N 0.73 2.02 3.70 5.00 0.00 -1.26 -5.03 105.19 110.35 3aaz n GLY 62 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.03 5.09 0.52 1.61 1.01 -1.05 -5.04 120.40 119.51 3aaz s VAL 63 Ca 0.00 1.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.96 3aaz s VAL 63 Cb 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 3aaz s VAL 63 CO 0.00 0.24 1.25 -2.84 0.00 0.00 0.00 175.10 173.75 3aaz s PRO 64 N 1.05 3.38 0.53 2.72 0.02 -1.26 -4.91 135.00 136.53 3aaz s PRO 64 Ca 0.31 1.97 0.39 0.00 0.02 0.00 0.00 61.00 63.69 3aaz s PRO 64 Cb -0.16 -2.27 1.57 0.00 0.02 0.00 0.00 34.50 33.65 3aaz s PRO 64 CO 0.13 -0.91 1.72 -0.44 -0.33 0.00 0.00 177.00 177.16 3aaz h ASP 65 N 1.62 0.06 0.40 2.53 3.45 -2.00 -2.49 116.42 119.99 3aaz h ASP 65 Ca -0.50 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3aaz h ASP 65 Cb 1.28 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 3aaz h ASP 65 CO 0.58 -0.01 0.00 -2.11 -1.57 0.00 0.00 179.24 176.13 3aaz n ARG 66 N -4.19 0.14 -3.51 3.56 1.85 -1.26 -4.61 116.66 108.64 3aaz n ARG 66 Ca 0.32 0.49 -0.37 0.00 -1.00 0.00 0.00 57.85 57.30 3aaz n ARG 66 Cb 1.47 -1.85 -0.07 0.00 -1.05 0.00 0.00 32.46 30.97 3aaz n ARG 66 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3aaz s PHE 67 N -3.35 3.51 -0.08 2.89 0.08 -0.94 -1.55 117.98 118.54 3aaz s PHE 67 Ca 0.02 0.69 -0.20 0.00 0.12 0.00 0.00 56.93 57.56 3aaz s PHE 67 Cb 0.08 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 40.22 3aaz s PHE 67 CO 0.28 0.30 0.47 -1.54 -0.10 0.00 0.00 175.22 174.63 3aaz s SER 68 N 0.23 -0.42 0.21 1.36 1.04 -0.11 -4.93 113.70 111.08 3aaz s SER 68 Ca 0.19 0.56 0.10 0.00 0.48 0.00 0.00 55.95 57.28 3aaz s SER 68 Cb -0.14 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3aaz s SER 68 CO 0.06 -0.40 -0.13 -0.83 0.98 0.00 0.00 173.24 172.93 3aaz s GLY 69 N -0.75 1.74 0.37 7.32 0.00 -1.26 -0.11 107.32 114.63 3aaz s GLY 69 Ca -0.08 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 3aaz s GLY 69 CO 0.05 -1.65 0.68 -1.14 0.00 0.00 0.00 173.10 171.04 3aaz n SER 70 N -0.17 -1.96 0.00 1.64 3.41 -0.29 -4.39 113.62 111.87 3aaz n SER 70 Ca -0.10 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 3aaz n SER 70 Cb 0.57 3.35 0.00 0.00 -0.26 0.00 0.00 64.21 67.87 3aaz n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aaz n GLY 71 N -0.53 -1.54 0.00 5.00 0.00 -1.26 -0.95 105.19 105.91 3aaz n GLY 71 Ca -0.06 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3aaz n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3aaz n SER 72 N 0.00 0.00 0.00 1.61 3.41 -0.23 -4.97 113.62 113.45 3aaz n SER 72 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3aaz n SER 72 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3aaz n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aaz n GLY 73 N -0.03 1.87 0.00 5.00 0.00 -1.26 -2.09 105.19 108.69 3aaz n GLY 73 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -3.75 2.61 -2.24 -1.26 -2.57 114.28 107.07 3aaz n THR 74 Ca 0.00 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.17 3aaz n THR 74 Cb 0.00 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 3aaz n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3aaz s ASP 75 N -1.98 5.37 0.08 3.42 1.01 -0.89 -1.57 116.67 122.11 3aaz s ASP 75 Ca -0.00 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.16 3aaz s ASP 75 Cb 0.03 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 3aaz s ASP 75 CO 0.18 -0.02 -0.11 -0.36 0.21 0.00 0.00 175.17 175.08 3aaz s PHE 76 N 1.52 1.01 -0.07 4.23 0.08 -0.49 -1.06 117.98 123.20 3aaz s PHE 76 Ca 0.06 -0.57 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 3aaz s PHE 76 Cb -0.15 -0.57 0.04 0.00 -0.57 0.00 0.00 43.02 41.78 3aaz s PHE 76 CO 0.05 -0.01 0.14 0.99 -0.10 0.00 0.00 175.22 176.29 3aaz s THR 77 N -1.87 -0.12 -0.22 0.64 2.01 -0.12 -1.06 115.64 114.90 3aaz s THR 77 Ca -0.00 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 3aaz s THR 77 Cb -0.07 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 3aaz s THR 77 CO 0.01 0.10 0.23 -0.22 -0.69 0.00 0.00 174.62 174.05 3aaz s LEU 78 N 1.57 4.15 -0.14 4.42 2.96 -0.85 -1.13 118.68 129.66 3aaz s LEU 78 Ca -0.05 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3aaz s LEU 78 Cb -0.12 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 3aaz s LEU 78 CO -0.06 0.05 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.31 3aaz s LYS 79 N 0.98 3.20 -0.24 1.98 1.02 0.84 -1.32 119.74 126.20 3aaz s LYS 79 Ca 0.11 -0.77 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 3aaz s LYS 79 Cb -0.13 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 3aaz s LYS 79 CO 0.04 0.09 0.05 0.42 -0.92 0.00 0.00 175.35 175.03 3aaz s ILE 80 N 0.63 4.18 -0.00 2.17 1.01 -0.60 -0.93 121.20 127.66 3aaz s ILE 80 Ca -0.09 -0.22 0.11 0.00 0.00 0.00 0.00 60.65 60.45 3aaz s ILE 80 Cb -0.16 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.27 3aaz s ILE 80 CO 0.03 0.36 1.30 0.77 0.00 0.00 0.00 174.94 177.40 3aaz h SER 81 N 8.06 0.00 -2.16 3.58 4.64 -1.55 0.12 113.55 126.24 3aaz h SER 81 Ca -0.38 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.42 3aaz h SER 81 Cb 1.17 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.92 3aaz h SER 81 CO 0.59 0.79 -0.90 -0.13 -0.87 0.00 0.00 176.83 176.31 3aaz s ARG 82 N -2.81 0.91 0.03 4.77 0.52 -1.25 -3.37 118.95 117.75 3aaz s ARG 82 Ca 0.02 -1.91 -0.34 0.00 -0.52 0.00 0.00 55.73 52.97 3aaz s ARG 82 Cb 0.09 -1.19 -0.13 0.00 0.52 0.00 0.00 34.95 34.24 3aaz s ARG 82 CO 0.79 -1.37 1.75 0.28 0.02 0.00 0.00 175.30 176.76 3aaz n VAL 83 N 2.91 0.32 -3.37 3.52 0.31 0.31 -4.62 118.33 117.72 3aaz n VAL 83 Ca 0.27 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.36 3aaz n VAL 83 Cb 0.49 -1.73 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3aaz n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3aaz s GLU 84 N 2.65 2.98 0.24 5.55 8.01 -1.26 -0.24 118.70 136.64 3aaz s GLU 84 Ca 0.86 -1.12 -0.04 0.00 0.01 0.00 0.00 54.97 54.68 3aaz s GLU 84 Cb -0.68 -2.76 0.40 0.00 -4.31 0.00 0.00 34.13 26.78 3aaz s GLU 84 CO 0.45 -0.04 1.80 0.00 0.01 0.00 0.00 175.26 177.49 3aaz h ALA 85 N 0.86 1.16 0.00 5.21 0.00 -1.93 -2.76 119.26 121.79 3aaz h ALA 85 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3aaz h ALA 85 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3aaz h ALA 85 CO 0.51 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.98 3aaz n GLU 86 N -4.77 0.14 0.00 0.00 0.00 -1.09 -3.05 120.64 111.88 3aaz n GLU 86 Ca 0.13 0.53 0.14 0.00 0.00 0.00 0.00 57.16 57.97 3aaz n GLU 86 Cb 0.29 -1.87 0.64 0.00 0.00 0.00 0.00 31.44 30.49 3aaz n GLU 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3aaz n ASP 87 N -2.15 0.75 -4.76 -1.84 10.43 -1.04 -4.91 116.55 113.03 3aaz n ASP 87 Ca 0.00 -1.01 -0.36 0.00 2.57 0.00 0.00 54.79 56.00 3aaz n ASP 87 Cb 0.11 -0.01 0.03 0.00 1.84 0.00 0.00 41.12 43.08 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 -2.21 2.73 -5.00 2.53 0.11 -1.17 -4.87 120.40 112.52 3aaz s VAL 88 Ca 0.36 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 3aaz s VAL 88 Cb 0.21 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 3aaz s VAL 88 CO 0.41 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 3aaz n GLY 89 N 0.45 0.71 3.30 6.54 0.00 -1.24 -4.81 105.19 110.15 3aaz n GLY 89 Ca 0.13 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.90 2.55 -0.11 1.61 1.01 0.21 -1.39 120.40 121.38 3aaz s VAL 90 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3aaz s VAL 90 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3aaz s VAL 90 CO 0.00 0.55 0.05 -0.31 0.00 0.00 0.00 175.10 175.39 3aaz s TYR 91 N 0.23 3.31 -0.01 5.22 2.02 -0.07 0.48 117.35 128.54 3aaz s TYR 91 Ca -0.12 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 3aaz s TYR 91 Cb -0.16 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3aaz s TYR 91 CO 0.07 0.51 -0.10 0.71 -1.57 0.00 0.00 175.55 175.17 3aaz s TYR 92 N -0.75 0.92 0.10 2.71 1.51 -0.52 -0.81 117.35 120.51 3aaz s TYR 92 Ca 0.12 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3aaz s TYR 92 Cb -0.12 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 3aaz s TYR 92 CO 0.03 -0.05 0.23 0.00 -1.11 0.00 0.00 175.55 174.65 3aaz s PHE 94 N -1.60 -0.48 -0.05 0.00 5.36 0.76 -0.13 117.98 121.83 3aaz s PHE 94 Ca 0.34 0.47 -0.27 0.00 -0.96 0.00 0.00 56.93 56.52 3aaz s PHE 94 Cb -0.12 -0.21 -0.03 0.00 -0.34 0.00 0.00 43.02 42.32 3aaz s PHE 94 CO 0.28 -0.64 0.84 1.14 -1.46 0.00 0.00 175.22 175.38 3aaz s GLN 95 N 2.41 4.47 -0.10 10.12 1.03 0.01 -1.13 119.66 136.47 3aaz s GLN 95 Ca 0.09 1.14 0.15 0.00 0.04 0.00 0.00 55.36 56.78 3aaz s GLN 95 Cb -0.16 -3.47 0.32 0.00 0.03 0.00 0.00 33.01 29.73 3aaz s GLN 95 CO -0.13 -0.04 1.15 0.00 -2.54 0.00 0.00 175.29 173.72 3aaz n ALA 96 N 4.05 2.71 0.04 2.60 0.00 0.37 -2.37 120.51 127.91 3aaz n ALA 96 Ca 0.03 -2.50 -0.16 0.00 0.00 0.00 0.00 53.44 50.81 3aaz n ALA 96 Cb 0.51 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 3aaz n ALA 96 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3aaz h SER 97 N 0.59 0.33 -4.35 0.00 0.02 -1.84 -3.46 113.55 104.83 3aaz h SER 97 Ca -0.06 -0.54 -0.59 0.00 -0.84 0.00 0.00 61.79 59.76 3aaz h SER 97 Cb 1.30 -0.11 -0.28 0.00 0.14 0.00 0.00 62.40 63.46 3aaz h SER 97 CO 0.03 1.47 -0.85 -0.76 -1.14 0.00 0.00 176.83 175.58 3aaz s LEU 98 N -6.84 2.10 0.02 5.07 1.02 -1.26 -4.87 118.68 113.91 3aaz s LEU 98 Ca -0.11 -0.44 -0.23 0.00 0.02 0.00 0.00 54.13 53.37 3aaz s LEU 98 Cb 0.07 -1.01 -0.05 0.00 0.02 0.00 0.00 46.19 45.21 3aaz s LEU 98 CO 0.83 0.21 0.70 -0.69 0.02 0.00 0.00 176.35 177.42 3aaz s VAL 99 N -0.62 4.81 0.32 -1.59 1.01 -1.26 -1.92 120.40 121.15 3aaz s VAL 99 Ca 0.08 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 3aaz s VAL 99 Cb -0.08 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 3aaz s VAL 99 CO 0.00 0.38 1.23 -2.16 0.00 0.00 0.00 175.10 174.55 3aaz s PRO 100 N -0.07 4.42 0.29 2.72 0.04 -1.26 -4.93 135.00 136.20 3aaz s PRO 100 Ca 0.36 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 3aaz s PRO 100 Cb -0.20 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3aaz s PRO 100 CO 0.21 -0.08 1.34 -0.51 0.04 0.00 0.00 177.00 178.00 3aaz s LEU 101 N -1.75 4.42 0.04 -3.56 1.43 -0.81 -4.89 118.68 113.56 3aaz s LEU 101 Ca 0.48 2.62 0.04 0.00 -1.03 0.00 0.00 54.13 56.24 3aaz s LEU 101 Cb -0.37 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 3aaz s LEU 101 CO 0.48 -0.57 -0.11 0.42 0.23 0.00 0.00 176.35 176.80 3aaz s THR 102 N -0.63 0.87 0.11 5.49 -4.23 -1.00 -5.02 115.64 111.24 3aaz s THR 102 Ca 0.53 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 60.15 3aaz s THR 102 Cb -0.40 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 3aaz s THR 102 CO 0.48 -0.10 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.09 3aaz s PHE 103 N -0.93 2.94 1.09 3.99 0.40 -1.26 -0.81 117.98 123.39 3aaz s PHE 103 Ca -0.02 -0.06 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 3aaz s PHE 103 Cb -0.08 -1.50 0.24 0.00 0.51 0.00 0.00 43.02 42.20 3aaz s PHE 103 CO 0.01 0.48 1.19 0.20 0.70 0.00 0.00 175.22 177.80 3aaz s GLY 104 N -2.44 1.65 0.06 4.36 0.00 0.82 -4.63 107.32 107.14 3aaz s GLY 104 Ca 0.26 -0.99 0.28 0.00 0.00 0.00 0.00 44.72 44.26 3aaz s GLY 104 CO 0.18 -0.18 1.87 0.61 0.00 0.00 0.00 173.10 175.58 3aaz n GLN 105 N -4.32 0.07 0.00 2.90 0.00 -1.26 -4.78 117.38 110.00 3aaz n GLN 105 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.20 3aaz n GLN 105 Cb 0.59 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.25 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 1.38 0.48 3.07 2.61 0.00 -1.26 -5.06 105.19 106.40 3aaz n GLY 106 Ca 0.06 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.32 1.90 -0.35 2.61 2.01 0.01 -4.72 115.64 115.77 3aaz s THR 107 Ca 0.00 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 3aaz s THR 107 Cb 0.00 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.70 3aaz s THR 107 CO 0.00 0.37 0.83 -0.75 -0.69 0.00 0.00 174.62 174.38 3aaz s LYS 108 N 1.32 3.83 0.10 4.92 2.20 0.69 -0.89 119.74 131.90 3aaz s LYS 108 Ca 0.02 0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 55.81 3aaz s LYS 108 Cb -0.15 -3.79 -0.06 0.00 -1.51 0.00 0.00 37.83 32.33 3aaz s LYS 108 CO -0.10 -0.84 0.86 -1.17 -0.36 0.00 0.00 175.35 173.74 3aaz s LEU 109 N 3.18 4.49 -0.04 5.43 2.96 -0.49 0.14 118.68 134.36 3aaz s LEU 109 Ca 0.34 1.65 0.05 0.00 -0.22 0.00 0.00 54.13 55.95 3aaz s LEU 109 Cb -0.13 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 3aaz s LEU 109 CO 0.16 0.00 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.39 3aaz s GLU 110 N -0.18 2.00 -0.25 1.98 2.02 0.12 -3.62 118.70 120.77 3aaz s GLU 110 Ca 0.42 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 3aaz s GLU 110 Cb -0.22 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 3aaz s GLU 110 CO 0.27 0.31 1.24 0.42 0.02 0.00 0.00 175.26 177.52 3aaz s ILE 111 N -0.08 4.28 0.26 -1.63 -1.09 -1.26 -0.31 121.20 121.36 3aaz s ILE 111 Ca -0.02 1.50 0.34 0.00 -2.23 0.00 0.00 60.65 60.23 3aaz s ILE 111 Cb -0.12 -4.14 0.37 0.00 -1.58 0.00 0.00 42.46 36.99 3aaz s ILE 111 CO 0.02 -0.33 2.05 0.11 -1.23 0.00 0.00 174.94 175.57 3aaz h LYS 112 N 8.61 0.00 0.00 2.79 1.57 -0.68 -3.46 116.57 125.41 3aaz h LYS 112 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3aaz h LYS 112 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3aaz h LYS 112 CO 1.01 0.05 0.00 -2.13 -0.57 0.00 0.00 179.45 177.80 3aaz n ARG 113 N -3.21 0.00 -3.65 3.15 0.63 -1.26 -4.87 116.66 107.45 3aaz n ARG 113 Ca -0.01 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.91 3aaz n ARG 113 Cb 0.27 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.13 3aaz n ARG 113 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3aaz s THR 114 N 0.00 0.00 0.41 5.15 -1.32 -1.26 -4.89 115.64 113.73 3aaz s THR 114 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 3aaz s THR 114 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 3aaz s THR 114 CO 0.00 0.00 1.18 -0.69 -2.21 0.00 0.00 174.62 172.90 3aaz s VAL 115 N -0.80 3.09 -0.15 5.08 1.01 -1.26 -4.80 120.40 122.56 3aaz s VAL 115 Ca 0.09 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 3aaz s VAL 115 Cb -0.02 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.92 3aaz s VAL 115 CO -0.10 0.07 0.36 0.00 0.00 0.00 0.00 175.10 175.43 3aaz s ALA 116 N -1.42 -0.91 0.42 5.51 0.00 -0.23 -4.95 121.76 120.18 3aaz s ALA 116 Ca 0.58 1.36 -0.24 0.00 0.00 0.00 0.00 51.96 53.66 3aaz s ALA 116 Cb -0.31 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 3aaz s ALA 116 CO 0.39 -0.24 1.12 0.00 0.00 0.00 0.00 175.76 177.03 3aaz s ALA 117 N 1.27 3.05 0.31 0.00 0.00 -1.26 -2.25 121.76 122.87 3aaz s ALA 117 Ca -0.09 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 3aaz s ALA 117 Cb -0.08 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 3aaz s ALA 117 CO -0.11 -0.45 1.22 -1.25 0.00 0.00 0.00 175.76 175.17 3aaz s PRO 118 N -2.54 4.48 0.17 0.00 0.04 -1.26 -4.52 135.00 131.36 3aaz s PRO 118 Ca 0.60 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3aaz s PRO 118 Cb -0.26 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 3aaz s PRO 118 CO 0.32 -0.02 1.17 -1.12 0.04 0.00 0.00 177.00 177.40 3aaz s SER 119 N -0.63 7.13 -0.18 6.66 0.01 -0.78 -4.84 113.70 121.06 3aaz s SER 119 Ca 0.47 2.17 -0.05 0.00 1.31 0.00 0.00 55.95 59.86 3aaz s SER 119 Cb -0.36 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.24 3aaz s SER 119 CO 0.48 -0.35 -0.01 -0.69 0.41 0.00 0.00 173.24 173.07 3aaz s VAL 120 N 0.05 3.92 0.13 3.43 1.01 -1.26 -0.87 120.40 126.82 3aaz s VAL 120 Ca 0.53 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3aaz s VAL 120 Cb -0.31 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3aaz s VAL 120 CO 0.35 0.45 -0.17 -0.36 0.00 0.00 0.00 175.10 175.38 3aaz s PHE 121 N 0.78 1.58 0.04 5.22 0.08 -0.13 -4.96 117.98 120.58 3aaz s PHE 121 Ca -0.00 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.57 3aaz s PHE 121 Cb -0.14 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 3aaz s PHE 121 CO 0.02 0.20 -0.06 -1.50 -0.10 0.00 0.00 175.22 173.78 3aaz s ILE 122 N -1.84 0.41 -0.06 0.64 2.07 -1.26 -0.25 121.20 120.91 3aaz s ILE 122 Ca 0.09 -1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 58.30 3aaz s ILE 122 Cb -0.07 -0.50 0.03 0.00 0.13 0.00 0.00 42.46 42.05 3aaz s ILE 122 CO 0.04 -0.41 0.02 -0.36 -1.91 0.00 0.00 174.94 172.32 3aaz s PHE 123 N -1.39 0.47 0.93 3.50 0.08 0.33 -5.00 117.98 116.89 3aaz s PHE 123 Ca -0.12 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 3aaz s PHE 123 Cb -0.10 -0.68 0.15 0.00 -0.57 0.00 0.00 43.02 41.82 3aaz s PHE 123 CO -0.00 -0.27 1.09 -1.25 -0.10 0.00 0.00 175.22 174.69 3aaz s PRO 124 N 1.94 1.00 0.58 0.24 0.04 -1.26 -1.93 135.00 135.61 3aaz s PRO 124 Ca 0.04 0.80 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 3aaz s PRO 124 Cb -0.12 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 3aaz s PRO 124 CO -0.04 -2.41 1.27 -2.14 0.04 0.00 0.00 177.00 173.72 3aaz s PRO 125 N -4.90 3.01 0.62 0.56 0.02 -1.21 -4.80 135.00 128.29 3aaz s PRO 125 Ca 0.64 2.01 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 3aaz s PRO 125 Cb -0.19 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 3aaz s PRO 125 CO 0.57 -1.23 1.08 -1.54 -0.33 0.00 0.00 177.00 175.56 3aaz s SER 126 N -1.32 5.47 0.20 2.53 1.04 -1.26 -4.95 113.70 115.42 3aaz s SER 126 Ca 0.75 1.90 -0.11 0.00 0.48 0.00 0.00 55.95 58.97 3aaz s SER 126 Cb -0.35 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.37 3aaz s SER 126 CO 0.39 -1.38 1.86 0.44 0.98 0.00 0.00 173.24 175.54 3aaz h ASP 127 N 0.25 0.77 -0.88 7.02 3.45 -1.99 -2.24 116.42 122.80 3aaz h ASP 127 Ca -0.47 -0.02 0.14 0.00 0.43 0.00 0.00 57.03 57.11 3aaz h ASP 127 Cb 1.23 -0.19 -0.15 0.00 -0.56 0.00 0.00 39.33 39.67 3aaz h ASP 127 CO 0.56 0.55 -0.38 -0.33 -1.57 0.00 0.00 179.24 178.07 3aaz h GLU 128 N 0.91 -0.05 -0.27 3.56 5.08 -2.00 0.26 114.58 122.07 3aaz h GLU 128 Ca 0.26 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3aaz h GLU 128 Cb -0.08 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3aaz h GLU 128 CO -0.06 -0.03 -0.31 0.37 -1.00 0.00 0.00 179.01 177.98 3aaz h GLN 129 N -0.05 0.68 -0.48 2.33 4.15 -1.82 -3.02 115.11 116.90 3aaz h GLN 129 Ca 0.31 -0.37 0.10 0.00 0.77 0.00 0.00 58.65 59.45 3aaz h GLN 129 Cb 0.58 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.20 3aaz h GLN 129 CO -0.90 0.99 -0.07 -0.07 -1.93 0.00 0.00 178.83 176.85 3aaz h LEU 130 N 0.41 -0.35 -0.82 -2.39 3.38 -0.88 -1.05 115.31 113.62 3aaz h LEU 130 Ca 0.04 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.29 3aaz h LEU 130 Cb 0.88 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 3aaz h LEU 130 CO 0.07 -0.12 -0.23 1.17 0.09 0.00 0.00 178.44 179.42 3aaz n LYS 131 N -5.30 -0.10 0.00 1.13 3.00 0.85 -0.38 118.16 117.37 3aaz n LYS 131 Ca 0.04 1.27 0.14 0.00 -0.00 0.00 0.00 58.31 59.77 3aaz n LYS 131 Cb 0.26 -1.90 0.80 0.00 0.00 0.00 0.00 35.03 34.19 3aaz n LYS 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3aaz n SER 132 N -5.30 0.00 0.00 3.14 3.41 -0.41 -4.90 113.62 109.56 3aaz n SER 132 Ca 0.12 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3aaz n SER 132 Cb 0.39 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.89 0.69 3.46 5.00 0.00 0.49 -5.08 105.19 110.64 3aaz n GLY 133 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3aaz n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3aaz s THR 134 N -2.28 2.64 -0.10 2.61 -4.23 -1.20 -1.78 115.64 111.29 3aaz s THR 134 Ca 0.00 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 3aaz s THR 134 Cb 0.00 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3aaz s THR 134 CO 0.00 0.02 -0.23 0.00 -0.54 0.00 0.00 174.62 173.88 3aaz s ALA 135 N -1.31 2.10 -0.14 3.99 0.00 0.65 -3.33 121.76 123.72 3aaz s ALA 135 Ca 0.18 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3aaz s ALA 135 Cb -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.23 3aaz s ALA 135 CO 0.10 0.23 -0.18 -1.12 0.00 0.00 0.00 175.76 174.79 3aaz s SER 136 N 0.43 2.79 -0.22 0.00 0.01 -1.26 -1.62 113.70 113.83 3aaz s SER 136 Ca -0.17 -0.52 -0.06 0.00 1.31 0.00 0.00 55.95 56.51 3aaz s SER 136 Cb -0.17 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 3aaz s SER 136 CO 0.07 0.02 0.03 -0.69 0.41 0.00 0.00 173.24 173.08 3aaz s VAL 137 N 1.09 4.09 -0.16 3.43 1.01 -0.11 -3.35 120.40 126.41 3aaz s VAL 137 Ca -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3aaz s VAL 137 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3aaz s VAL 137 CO -0.05 0.39 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 3aaz s VAL 138 N 1.27 3.98 0.04 2.92 1.01 -0.81 0.03 120.40 128.83 3aaz s VAL 138 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3aaz s VAL 138 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3aaz s VAL 138 CO 0.02 0.49 0.03 0.00 0.00 0.00 0.00 175.10 175.64 3aaz s LEU 140 N -1.94 0.93 -0.35 0.00 2.96 0.65 -1.52 118.68 119.40 3aaz s LEU 140 Ca 0.24 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.94 3aaz s LEU 140 Cb -0.12 -0.52 0.05 0.00 0.50 0.00 0.00 46.19 46.10 3aaz s LEU 140 CO 0.15 -0.14 0.12 -0.76 -1.32 0.00 0.00 176.35 174.41 3aaz s LEU 141 N 1.59 4.44 0.04 -0.68 1.02 -0.16 -0.96 118.68 123.97 3aaz s LEU 141 Ca -0.00 -1.21 0.01 0.00 0.02 0.00 0.00 54.13 52.95 3aaz s LEU 141 Cb -0.13 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3aaz s LEU 141 CO -0.04 -0.36 0.07 0.21 0.02 0.00 0.00 176.35 176.26 3aaz s ASN 142 N 1.50 5.55 -1.16 2.29 3.84 -0.05 -0.57 114.94 126.34 3aaz s ASN 142 Ca -0.01 0.06 -0.28 0.00 0.21 0.00 0.00 52.86 52.84 3aaz s ASN 142 Cb -0.20 -1.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.99 3aaz s ASN 142 CO 0.02 0.22 0.73 0.59 -2.79 0.00 0.00 177.10 175.88 3aaz n ASN 143 N 0.84 -4.73 -4.59 -4.21 3.02 -0.51 -1.86 115.26 103.23 3aaz n ASN 143 Ca -0.11 -1.16 -0.25 0.00 -0.03 0.00 0.00 54.58 53.03 3aaz n ASN 143 Cb 0.52 -2.44 -0.09 0.00 -0.61 0.00 0.00 39.78 37.16 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 -3.48 2.48 -0.24 3.10 -0.71 -0.83 -4.59 117.98 113.70 3aaz s PHE 144 Ca 0.47 -0.44 -0.20 0.00 -1.04 0.00 0.00 56.93 55.73 3aaz s PHE 144 Cb -0.22 -1.39 0.07 0.00 -1.21 0.00 0.00 43.02 40.27 3aaz s PHE 144 CO 0.92 0.55 0.63 -0.47 -1.34 0.00 0.00 175.22 175.51 3aaz s TYR 145 N -2.54 -0.78 0.43 3.49 5.04 -0.96 0.48 117.35 122.51 3aaz s TYR 145 Ca 0.33 1.78 -0.04 0.00 -2.44 0.00 0.00 57.07 56.70 3aaz s TYR 145 Cb -0.00 0.33 0.09 0.00 0.35 0.00 0.00 41.96 42.74 3aaz s TYR 145 CO 0.18 -0.38 0.58 -0.35 -1.34 0.00 0.00 175.55 174.24 3aaz n PRO 146 N 3.22 -0.23 -0.19 4.97 -0.04 -1.26 -1.07 135.00 140.40 3aaz n PRO 146 Ca -0.16 -1.17 -0.07 0.00 -0.04 0.00 0.00 63.50 62.06 3aaz n PRO 146 Cb 0.56 -0.52 0.02 0.00 -0.04 0.00 0.00 33.50 33.53 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 0.77 -6.62 0.54 9.65 -1.99 -3.44 114.38 113.28 3aaz h ARG 147 Ca -0.19 -0.09 -0.52 0.00 -1.10 0.00 0.00 59.98 58.08 3aaz h ARG 147 Cb 0.59 -0.15 0.05 0.00 -1.39 0.00 0.00 29.97 29.08 3aaz h ARG 147 CO 0.16 0.60 1.03 -2.00 2.80 0.00 0.00 179.97 182.56 3aaz s GLU 148 N -5.83 4.13 -0.04 0.20 2.12 -1.26 -4.96 118.70 113.05 3aaz s GLU 148 Ca -0.13 2.60 -0.22 0.00 0.36 0.00 0.00 54.97 57.57 3aaz s GLU 148 Cb 0.12 -3.19 0.05 0.00 0.26 0.00 0.00 34.13 31.37 3aaz s GLU 148 CO 0.77 -0.77 0.49 0.00 -0.54 0.00 0.00 175.26 175.21 3aaz s ALA 149 N 1.50 -1.26 -0.20 6.30 0.00 -1.26 -4.75 121.76 122.09 3aaz s ALA 149 Ca 0.76 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3aaz s ALA 149 Cb -0.49 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.63 3aaz s ALA 149 CO 0.33 -0.31 -0.17 0.21 0.00 0.00 0.00 175.76 175.82 3aaz s LYS 150 N -1.13 2.73 -0.23 0.00 2.20 -0.84 -5.02 119.74 117.44 3aaz s LYS 150 Ca -0.11 -0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 54.49 3aaz s LYS 150 Cb -0.03 -2.66 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 3aaz s LYS 150 CO 0.06 -0.33 -0.07 0.08 -0.36 0.00 0.00 175.35 174.74 3aaz s VAL 151 N 1.24 2.94 0.02 4.02 1.01 -1.26 -0.41 120.40 127.95 3aaz s VAL 151 Ca 0.01 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3aaz s VAL 151 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3aaz s VAL 151 CO -0.10 0.30 -0.17 -1.10 0.00 0.00 0.00 175.10 174.03 3aaz s GLN 152 N 1.37 2.19 -0.08 2.72 -0.21 -0.06 -4.93 119.66 120.67 3aaz s GLN 152 Ca 0.02 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.49 3aaz s GLN 152 Cb -0.15 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 3aaz s GLN 152 CO -0.05 0.56 -0.02 -1.58 -2.12 0.00 0.00 175.29 172.08 3aaz s TRP 153 N -0.89 3.10 -0.08 0.91 0.52 -1.26 0.32 118.94 121.56 3aaz s TRP 153 Ca 0.14 0.14 0.00 0.00 0.02 0.00 0.00 56.10 56.41 3aaz s TRP 153 Cb -0.11 -1.77 0.02 0.00 -1.15 0.00 0.00 33.47 30.47 3aaz s TRP 153 CO 0.04 0.43 -0.06 0.15 0.02 0.00 0.00 176.95 177.54 3aaz s LYS 154 N -0.85 1.15 -0.21 4.98 1.02 0.76 -1.66 119.74 124.93 3aaz s LYS 154 Ca 0.13 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 55.94 3aaz s LYS 154 Cb -0.11 -1.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.98 3aaz s LYS 154 CO 0.02 -0.18 -0.07 0.08 -0.92 0.00 0.00 175.35 174.28 3aaz s VAL 155 N 1.40 3.18 -1.54 3.17 1.01 -0.79 -0.74 120.40 126.09 3aaz s VAL 155 Ca -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3aaz s VAL 155 Cb -0.13 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3aaz s VAL 155 CO -0.03 0.45 0.16 0.47 0.00 0.00 0.00 175.10 176.14 3aaz n ASP 156 N 4.69 0.38 -0.12 3.32 8.00 0.11 -1.65 116.55 131.27 3aaz n ASP 156 Ca -0.19 -1.21 -0.02 0.00 0.71 0.00 0.00 54.79 54.09 3aaz n ASP 156 Cb 0.51 -1.96 -0.01 0.00 -0.02 0.00 0.00 41.12 39.64 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 -2.88 -4.92 -4.78 -2.24 4.13 -1.26 -5.00 115.26 98.31 3aaz n ASN 157 Ca -0.29 0.04 -0.36 0.00 1.68 0.00 0.00 54.58 55.65 3aaz n ASN 157 Cb 0.68 -2.56 -0.08 0.00 -1.54 0.00 0.00 39.78 36.28 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 -1.48 3.66 0.00 5.41 0.00 -0.66 -5.05 121.76 123.65 3aaz s ALA 158 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 3aaz s ALA 158 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3aaz s ALA 158 CO 0.00 0.46 1.01 -1.17 0.00 0.00 0.00 175.76 176.06 3aaz s LEU 159 N -0.54 4.37 0.19 0.00 2.96 -1.26 -1.89 118.68 122.51 3aaz s LEU 159 Ca 0.11 1.70 -0.11 0.00 -0.22 0.00 0.00 54.13 55.61 3aaz s LEU 159 Cb -0.12 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3aaz s LEU 159 CO 0.02 -0.29 0.54 -1.10 -1.32 0.00 0.00 176.35 174.20 3aaz s GLN 160 N 1.06 3.85 0.02 1.98 -1.52 -0.66 -5.00 119.66 119.39 3aaz s GLN 160 Ca 0.53 0.33 0.00 0.00 -1.95 0.00 0.00 55.36 54.27 3aaz s GLN 160 Cb -0.22 -2.76 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 3aaz s GLN 160 CO 0.28 0.38 -0.03 -1.54 -0.25 0.00 0.00 175.29 174.13 3aaz s SER 161 N -2.12 0.30 0.00 5.90 1.04 -1.26 -4.70 113.70 112.85 3aaz s SER 161 Ca 0.43 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3aaz s SER 161 Cb -0.13 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3aaz s SER 161 CO 0.20 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3aaz n GLY 162 N 1.95 0.89 0.22 7.32 0.00 -1.26 -4.77 105.19 109.54 3aaz n GLY 162 Ca -0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.01 1.23 -4.36 1.61 6.94 -1.26 -5.05 115.26 114.36 3aaz n ASN 163 Ca 0.00 -2.38 -0.18 0.00 -0.02 0.00 0.00 54.58 52.00 3aaz n ASN 163 Cb 0.00 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 37.06 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 -1.72 2.25 -0.20 0.53 1.04 -1.26 -1.60 113.70 112.73 3aaz s SER 164 Ca 0.14 -1.17 -0.16 0.00 0.48 0.00 0.00 55.95 55.24 3aaz s SER 164 Cb 0.12 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.23 3aaz s SER 164 CO 0.01 -0.40 0.53 0.00 0.98 0.00 0.00 173.24 174.36 3aaz s GLN 165 N -3.78 0.58 0.14 4.02 -2.07 -0.98 -4.96 119.66 112.60 3aaz s GLN 165 Ca 0.27 0.83 0.04 0.00 -1.82 0.00 0.00 55.36 54.67 3aaz s GLN 165 Cb 0.04 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 3aaz s GLN 165 CO 0.09 -0.11 0.16 -1.21 -1.32 0.00 0.00 175.29 172.90 3aaz s GLU 166 N 0.75 3.05 -0.03 9.60 2.02 -1.26 -1.25 118.70 131.58 3aaz s GLU 166 Ca -0.04 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3aaz s GLU 166 Cb -0.05 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.45 3aaz s GLU 166 CO -0.06 0.52 -0.01 0.45 0.02 0.00 0.00 175.26 176.18 3aaz s SER 167 N -2.96 0.44 -0.06 -0.19 0.15 -0.23 -4.98 113.70 105.87 3aaz s SER 167 Ca 0.32 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.97 3aaz s SER 167 Cb -0.11 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 3aaz s SER 167 CO 0.25 -0.07 -0.19 -0.69 1.20 0.00 0.00 173.24 173.73 3aaz s VAL 168 N 0.81 2.59 1.01 4.45 1.01 -1.26 -0.71 120.40 128.30 3aaz s VAL 168 Ca -0.08 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3aaz s VAL 168 Cb -0.12 -1.99 0.20 0.00 0.00 0.00 0.00 36.38 34.48 3aaz s VAL 168 CO -0.01 0.57 1.18 0.42 0.00 0.00 0.00 175.10 177.26 3aaz s THR 169 N -0.38 1.88 0.46 3.92 -4.23 -0.62 -5.02 115.64 111.66 3aaz s THR 169 Ca 0.03 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.50 3aaz s THR 169 Cb -0.12 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 3aaz s THR 169 CO 0.02 0.00 0.74 -1.61 -0.54 0.00 0.00 174.62 173.23 3aaz s GLU 170 N -5.47 3.45 -0.10 3.99 0.41 -1.26 -4.67 118.70 115.04 3aaz s GLU 170 Ca 0.69 0.04 -0.38 0.00 -0.41 0.00 0.00 54.97 54.91 3aaz s GLU 170 Cb -0.10 -2.43 -0.16 0.00 -1.78 0.00 0.00 34.13 29.65 3aaz s GLU 170 CO 0.54 -0.18 1.56 1.04 -0.49 0.00 0.00 175.26 177.73 3aaz n GLN 171 N -2.19 1.18 -1.70 1.61 6.02 -1.26 -4.77 117.38 116.28 3aaz n GLN 171 Ca -0.00 0.43 -0.44 0.00 -0.01 0.00 0.00 57.00 56.98 3aaz n GLN 171 Cb 0.56 -2.10 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 3aaz n GLN 171 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3aaz n ASP 172 N 4.09 3.47 0.00 1.08 -0.08 0.12 -4.86 116.55 120.36 3aaz n ASP 172 Ca 0.23 1.10 0.10 0.00 -1.51 0.00 0.00 54.79 54.72 3aaz n ASP 172 Cb 0.16 -1.51 0.49 0.00 2.34 0.00 0.00 41.12 42.61 3aaz n ASP 172 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3aaz n SER 173 N 3.00 0.00 -0.07 1.67 3.41 -1.26 -1.36 113.62 119.01 3aaz n SER 173 Ca 0.14 0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3aaz n SER 173 Cb 0.33 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 3aaz n SER 173 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3aaz n LYS 174 N -1.42 0.72 0.00 4.33 4.01 -1.26 -2.67 118.16 121.88 3aaz n LYS 174 Ca 0.07 0.07 0.03 0.00 -0.51 0.00 0.00 58.31 57.98 3aaz n LYS 174 Cb 0.22 -1.31 -0.03 0.00 -0.51 0.00 0.00 35.03 33.40 3aaz n LYS 174 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3aaz n ASP 175 N -2.85 0.47 -0.55 4.39 5.68 -1.24 -4.96 116.55 117.49 3aaz n ASP 175 Ca -0.26 -0.73 -0.07 0.00 -0.50 0.00 0.00 54.79 53.22 3aaz n ASP 175 Cb 0.82 0.89 -0.03 0.00 -1.14 0.00 0.00 41.12 41.65 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 -0.98 -4.23 -4.94 -1.12 7.64 -0.46 -4.96 113.62 104.57 3aaz n SER 176 Ca 0.02 0.18 -0.20 0.00 1.01 0.00 0.00 58.87 59.87 3aaz n SER 176 Cb 0.11 -2.36 0.05 0.00 -1.01 0.00 0.00 64.21 61.00 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 -2.14 2.57 0.51 0.44 -4.23 -1.26 -4.60 115.64 106.92 3aaz s THR 177 Ca 0.00 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 3aaz s THR 177 Cb 0.00 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.09 3aaz s THR 177 CO 0.00 0.00 0.28 -0.31 -0.54 0.00 0.00 174.62 174.05 3aaz s TYR 178 N -2.70 1.90 -0.07 3.99 1.51 0.18 -0.70 117.35 121.47 3aaz s TYR 178 Ca 0.59 -0.80 -0.14 0.00 -1.01 0.00 0.00 57.07 55.71 3aaz s TYR 178 Cb -0.08 -1.88 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 3aaz s TYR 178 CO 0.38 -0.20 0.33 -1.12 -1.11 0.00 0.00 175.55 173.83 3aaz s SER 179 N -4.13 -0.28 -0.01 2.29 0.01 -1.26 -1.42 113.70 108.91 3aaz s SER 179 Ca 0.30 0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.95 3aaz s SER 179 Cb -0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 3aaz s SER 179 CO 0.18 -0.30 -0.03 -0.22 0.41 0.00 0.00 173.24 173.28 3aaz s LEU 180 N -0.64 1.81 -0.03 2.44 0.20 0.26 -1.59 118.68 121.12 3aaz s LEU 180 Ca -0.07 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.68 3aaz s LEU 180 Cb -0.04 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.46 3aaz s LEU 180 CO 0.03 0.02 0.01 -0.94 -0.29 0.00 0.00 176.35 175.17 3aaz s SER 181 N 0.17 5.20 -0.13 3.68 1.04 0.11 -0.99 113.70 122.79 3aaz s SER 181 Ca -0.01 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.50 3aaz s SER 181 Cb -0.05 -1.41 0.01 0.00 0.10 0.00 0.00 66.02 64.68 3aaz s SER 181 CO -0.00 0.32 -0.18 -0.55 0.98 0.00 0.00 173.24 173.80 3aaz s SER 182 N -1.31 2.74 -0.13 7.02 0.15 -0.58 -1.07 113.70 120.54 3aaz s SER 182 Ca 0.17 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.33 3aaz s SER 182 Cb -0.11 -1.25 -0.00 0.00 -1.71 0.00 0.00 66.02 62.94 3aaz s SER 182 CO 0.07 0.04 -0.18 -0.89 1.20 0.00 0.00 173.24 173.48 3aaz s THR 183 N 0.96 2.56 -0.13 6.45 2.01 -0.38 -0.79 115.64 126.31 3aaz s THR 183 Ca -0.06 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 3aaz s THR 183 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3aaz s THR 183 CO -0.03 0.53 0.29 -0.22 -0.69 0.00 0.00 174.62 174.51 3aaz s LEU 184 N 0.52 4.29 -0.20 4.42 2.96 0.10 -2.33 118.68 128.44 3aaz s LEU 184 Ca -0.11 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3aaz s LEU 184 Cb -0.16 -2.37 0.04 0.00 0.50 0.00 0.00 46.19 44.19 3aaz s LEU 184 CO 0.04 0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.22 3aaz s THR 185 N 0.11 1.84 0.08 3.68 2.01 -0.63 -0.93 115.64 121.80 3aaz s THR 185 Ca 0.17 -1.10 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 3aaz s THR 185 Cb -0.13 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.54 3aaz s THR 185 CO 0.05 0.23 0.27 -0.76 -0.69 0.00 0.00 174.62 173.72 3aaz s LEU 186 N 1.32 1.04 0.64 4.42 1.43 -0.64 -4.84 118.68 122.05 3aaz s LEU 186 Ca -0.01 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 3aaz s LEU 186 Cb -0.16 1.30 -0.01 0.00 0.03 0.00 0.00 46.19 47.35 3aaz s LEU 186 CO -0.09 -0.72 1.09 -0.94 0.23 0.00 0.00 176.35 175.92 3aaz s SER 187 N -2.62 5.33 0.23 2.29 1.04 -1.26 -0.25 113.70 118.47 3aaz s SER 187 Ca 0.02 1.92 -0.06 0.00 0.48 0.00 0.00 55.95 58.30 3aaz s SER 187 Cb 0.02 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.91 3aaz s SER 187 CO -0.09 -1.48 1.84 0.50 0.98 0.00 0.00 173.24 175.00 3aaz h LYS 188 N 0.12 0.89 -0.54 4.02 3.64 -1.63 -0.14 116.57 122.92 3aaz h LYS 188 Ca -0.47 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3aaz h LYS 188 Cb 1.24 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3aaz h LYS 188 CO 0.55 0.59 0.27 0.00 -2.27 0.00 0.00 179.45 178.59 3aaz h ALA 189 N 1.39 0.70 -0.24 5.00 0.00 -1.93 -0.94 119.26 123.23 3aaz h ALA 189 Ca 0.35 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3aaz h ALA 189 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3aaz h ALA 189 CO -0.17 0.25 -0.46 -0.44 0.00 0.00 0.00 179.25 178.43 3aaz h ASP 190 N 0.73 0.66 -0.12 0.00 3.45 -1.85 -2.58 116.42 116.71 3aaz h ASP 190 Ca 0.19 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.30 3aaz h ASP 190 Cb 0.10 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 3aaz h ASP 190 CO -0.03 1.02 -0.01 0.22 -1.57 0.00 0.00 179.24 178.88 3aaz h TYR 191 N 0.49 0.33 -0.01 4.55 3.20 -0.77 -2.62 116.97 122.15 3aaz h TYR 191 Ca 0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3aaz h TYR 191 Cb 0.99 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.16 3aaz h TYR 191 CO 0.04 0.35 -0.07 0.39 -1.64 0.00 0.00 178.16 177.24 3aaz n GLU 192 N -4.35 0.96 0.00 1.82 1.02 -0.38 -3.38 120.64 116.34 3aaz n GLU 192 Ca 0.00 -0.34 0.15 0.00 -0.02 0.00 0.00 57.16 56.95 3aaz n GLU 192 Cb 0.20 -1.49 0.70 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.72 1.12 -4.06 3.49 5.02 -0.99 -4.93 118.16 117.09 3aaz n LYS 193 Ca 0.17 -0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 55.98 3aaz n LYS 193 Cb 0.26 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.15 0.51 -0.15 2.13 3.76 -1.22 -5.09 115.29 113.09 3aaz s HIS 194 Ca 0.39 -0.82 -0.09 0.00 -0.15 0.00 0.00 55.06 54.40 3aaz s HIS 194 Cb 0.21 -0.35 -0.06 0.00 1.11 0.00 0.00 32.58 33.49 3aaz s HIS 194 CO 0.39 -0.25 -0.21 1.17 -0.85 0.00 0.00 174.74 174.99 3aaz n LYS 195 N 0.70 0.34 -3.57 1.40 4.81 -1.26 -4.73 118.16 115.85 3aaz n LYS 195 Ca -0.18 0.15 -0.39 0.00 -0.87 0.00 0.00 58.31 57.02 3aaz n LYS 195 Cb 0.58 -1.07 -0.11 0.00 0.02 0.00 0.00 35.03 34.45 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 -2.33 5.22 -0.20 3.15 1.01 -1.26 -0.71 120.40 125.27 3aaz s VAL 196 Ca -0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3aaz s VAL 196 Cb 0.08 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3aaz s VAL 196 CO 0.28 0.10 -0.04 -0.31 0.00 0.00 0.00 175.10 175.13 3aaz s TYR 197 N 1.72 2.97 -0.03 5.22 1.51 -0.87 0.04 117.35 127.91 3aaz s TYR 197 Ca 0.06 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 3aaz s TYR 197 Cb -0.17 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3aaz s TYR 197 CO 0.10 -0.36 -0.02 0.00 -1.11 0.00 0.00 175.55 174.16 3aaz s ALA 198 N 1.08 0.44 -0.20 3.71 0.00 0.09 -1.62 121.76 125.25 3aaz s ALA 198 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 3aaz s ALA 198 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3aaz s ALA 198 CO 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 175.76 175.70 3aaz s GLU 200 N 1.12 2.41 -0.28 0.00 2.12 0.15 -1.21 118.70 123.02 3aaz s GLU 200 Ca 0.02 -1.25 -0.11 0.00 0.36 0.00 0.00 54.97 53.99 3aaz s GLU 200 Cb -0.15 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 3aaz s GLU 200 CO -0.00 -0.56 0.18 0.08 -0.54 0.00 0.00 175.26 174.41 3aaz s VAL 201 N 1.20 5.13 -0.04 3.70 1.01 -0.12 -0.88 120.40 130.40 3aaz s VAL 201 Ca -0.06 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3aaz s VAL 201 Cb -0.19 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3aaz s VAL 201 CO -0.03 0.23 -0.05 0.42 0.00 0.00 0.00 175.10 175.66 3aaz s THR 202 N 1.73 3.80 -0.28 3.92 -4.23 0.45 -1.66 115.64 119.37 3aaz s THR 202 Ca 0.07 -0.57 -0.17 0.00 -1.18 0.00 0.00 61.69 59.84 3aaz s THR 202 Cb -0.16 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.18 3aaz s THR 202 CO 0.10 0.50 0.82 -2.28 -0.54 0.00 0.00 174.62 173.22 3aaz s HIS 203 N -0.91 -0.83 -0.59 3.99 2.46 -1.26 -1.98 115.29 116.17 3aaz s HIS 203 Ca 0.15 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.36 3aaz s HIS 203 Cb -0.11 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 3aaz s HIS 203 CO 0.05 -0.41 0.77 0.94 -2.47 0.00 0.00 174.74 173.61 3aaz n GLN 204 N 3.88 0.00 0.10 2.88 7.27 -1.26 0.51 117.38 130.76 3aaz n GLN 204 Ca -0.19 0.27 0.08 0.00 0.07 0.00 0.00 57.00 57.24 3aaz n GLN 204 Cb 0.58 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.52 3aaz n GLN 204 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3aaz h GLY 205 N 0.00 0.00 -5.27 1.69 0.00 -1.89 -3.46 103.07 94.13 3aaz h GLY 205 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 3aaz h GLY 205 CO 0.00 0.00 -0.35 1.08 0.00 0.00 0.00 176.54 177.27 3aaz s LEU 206 N -5.63 4.42 0.15 3.11 1.43 0.18 -4.65 118.68 117.68 3aaz s LEU 206 Ca 0.00 0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 53.69 3aaz s LEU 206 Cb 0.09 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3aaz s LEU 206 CO 0.78 0.35 1.42 0.77 0.23 0.00 0.00 176.35 179.90 3aaz h SER 207 N 4.67 0.83 -5.23 2.29 4.64 -1.90 -3.43 113.55 115.42 3aaz h SER 207 Ca -0.53 -0.47 -0.29 0.00 -0.47 0.00 0.00 61.79 60.03 3aaz h SER 207 Cb 1.22 -0.24 -0.15 0.00 -0.31 0.00 0.00 62.40 62.92 3aaz h SER 207 CO 0.61 1.24 -0.61 -0.94 -0.87 0.00 0.00 176.83 176.26 3aaz s SER 208 N -6.97 0.60 0.47 4.97 1.04 -1.26 -5.11 113.70 107.44 3aaz s SER 208 Ca -0.09 -1.41 -0.24 0.00 0.48 0.00 0.00 55.95 54.69 3aaz s SER 208 Cb 0.10 0.32 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 3aaz s SER 208 CO 0.87 -0.82 1.22 -2.65 0.98 0.00 0.00 173.24 172.85 3aaz n PRO 209 N -0.36 1.68 -4.56 4.02 -0.02 -1.26 -4.93 135.00 129.57 3aaz n PRO 209 Ca 0.02 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 3aaz n PRO 209 Cb 0.66 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.27 3.73 0.03 -1.45 0.11 -0.66 -4.95 120.40 115.94 3aaz s VAL 210 Ca 0.66 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 3aaz s VAL 210 Cb -0.48 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.77 3aaz s VAL 210 CO 0.54 0.56 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.81 3aaz s THR 211 N -0.32 2.88 -0.01 5.04 2.01 -1.26 -0.95 115.64 123.03 3aaz s THR 211 Ca 0.05 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 60.96 3aaz s THR 211 Cb -0.13 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 3aaz s THR 211 CO 0.02 0.36 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.67 3aaz s LYS 212 N -1.39 0.94 0.26 4.92 -0.14 -0.35 -4.99 119.74 118.98 3aaz s LYS 212 Ca 0.15 -0.37 -0.12 0.00 -1.36 0.00 0.00 55.97 54.27 3aaz s LYS 212 Cb -0.11 -0.89 -0.00 0.00 -1.68 0.00 0.00 37.83 35.15 3aaz s LYS 212 CO 0.05 0.20 0.47 -1.54 -0.76 0.00 0.00 175.35 173.77 3aaz s SER 213 N -0.12 -0.00 0.21 2.83 1.04 -1.26 -0.67 113.70 115.72 3aaz s SER 213 Ca 0.02 -1.00 -0.14 0.00 0.48 0.00 0.00 55.95 55.31 3aaz s SER 213 Cb -0.06 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3aaz s SER 213 CO -0.00 -1.15 0.45 0.72 0.98 0.00 0.00 173.24 174.24 3aaz s PHE 214 N -3.91 0.17 -0.20 5.02 -0.12 -0.64 -5.00 117.98 113.30 3aaz s PHE 214 Ca 0.24 -0.53 -0.05 0.00 -0.05 0.00 0.00 56.93 56.54 3aaz s PHE 214 Cb -0.00 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.58 3aaz s PHE 214 CO 0.10 -0.90 0.00 -0.80 -0.05 0.00 0.00 175.22 173.57 3aaz s ASN 215 N -2.95 4.87 0.05 1.98 0.01 -1.26 -2.06 114.94 115.58 3aaz s ASN 215 Ca 0.16 -0.19 -0.37 0.00 -0.71 0.00 0.00 52.86 51.75 3aaz s ASN 215 Cb 0.00 -1.83 -0.17 0.00 0.41 0.00 0.00 41.25 39.66 3aaz s ASN 215 CO 0.02 0.07 1.37 -1.14 -1.51 0.00 0.00 177.10 175.91 3aaz n ARG 216 N 4.19 1.10 -0.60 -0.60 0.63 0.11 -1.90 116.66 119.59 3aaz n ARG 216 Ca -0.17 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3aaz n ARG 216 Cb 0.52 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.39 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 2.65 1.74 3.63 5.14 0.00 -1.26 -5.00 105.19 112.09 3aaz n GLY 217 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.02 2.57 0.24 1.61 2.02 -0.80 -5.11 118.70 119.21 3aaz s GLU 218 Ca 0.00 -0.74 -0.27 0.00 0.02 0.00 0.00 54.97 53.98 3aaz s GLU 218 Cb 0.00 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 3aaz s GLU 218 CO 0.00 0.59 0.88 0.00 0.02 0.00 0.00 175.26 176.75 3aaz s ALA 220 N -1.30 2.56 0.18 0.00 0.00 -1.26 -4.98 121.76 116.97 3aaz s ALA 220 Ca 0.42 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 3aaz s ALA 220 Cb -0.23 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 19.74 3aaz s ALA 220 CO 0.28 -1.22 1.83 0.00 0.00 0.00 0.00 175.76 176.65 3aaz h ALA 221 N -0.27 0.76 0.00 0.00 0.00 -2.01 -1.48 119.26 116.26 3aaz h ALA 221 Ca -0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3aaz h ALA 221 Cb 1.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3aaz h ALA 221 CO 0.55 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 180.01 3aaz h ALA 222 N 1.20 1.05 -0.64 0.00 0.00 -2.06 -1.36 119.26 117.45 3aaz h ALA 222 Ca 0.22 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 3aaz h ALA 222 Cb -0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.58 3aaz h ALA 222 CO -0.04 0.01 0.34 -0.25 0.00 0.00 0.00 179.25 179.31 3aaz n ASP 223 N -3.17 3.80 -4.64 0.00 8.00 -0.56 -4.99 116.55 115.00 3aaz n ASP 223 Ca -0.02 -3.03 -0.45 0.00 0.71 0.00 0.00 54.79 52.00 3aaz n ASP 223 Cb 0.15 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 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 -0.37 1.88 -4.02 1.24 4.19 -0.51 -4.86 117.16 114.70 3aaz n TYR 224 Ca 0.37 0.53 -0.12 0.00 3.31 0.00 0.00 57.90 61.99 3aaz n TYR 224 Cb 1.24 -2.39 -0.12 0.00 0.49 0.00 0.00 39.34 38.56 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 -0.70 0.33 0.65 2.98 -0.14 -1.26 -5.14 119.74 116.45 3aaz s LYS 225 Ca 0.67 -0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.67 3aaz s LYS 225 Cb -0.69 -0.14 -0.00 0.00 -1.68 0.00 0.00 37.83 35.32 3aaz s LYS 225 CO 0.53 0.02 1.21 -0.51 -0.76 0.00 0.00 175.35 175.85 3aaz s ASP 226 N -0.90 4.76 0.65 2.83 1.01 -1.26 -5.01 116.67 118.76 3aaz s ASP 226 Ca -0.07 2.39 -0.14 0.00 0.71 0.00 0.00 52.55 55.44 3aaz s ASP 226 Cb -0.06 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 3aaz s ASP 226 CO -0.00 -1.88 1.07 -1.81 0.21 0.00 0.00 175.17 172.76 3aaz s ASP 227 N -1.77 5.41 0.50 0.27 1.01 -1.26 -5.09 116.67 115.74 3aaz s ASP 227 Ca 0.77 1.80 0.07 0.00 0.71 0.00 0.00 52.55 55.90 3aaz s ASP 227 Cb -0.30 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.15 3aaz s ASP 227 CO 0.39 -1.42 0.69 -1.81 0.21 0.00 0.00 175.17 173.23 3aaz s ASP 228 N -3.06 5.35 0.00 0.27 1.01 -1.26 -5.36 116.67 113.62 3aaz s ASP 228 Ca 0.63 -0.51 0.04 0.00 0.71 0.00 0.00 52.55 53.42 3aaz s ASP 228 Cb -0.16 -0.33 0.27 0.00 1.01 0.00 0.00 42.92 43.71 3aaz s ASP 228 CO 0.44 -1.06 0.74 0.47 0.21 0.00 0.00 175.17 175.97