#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t61 s LEU 6 N 0.00 2.28 -0.14 7.72 1.43 -1.26 0.10 118.68 128.81 1t61 s LEU 6 Ca 0.00 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1t61 s LEU 6 Cb 0.00 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1t61 s LEU 6 CO 0.00 0.28 -0.09 -0.22 0.23 0.00 0.00 176.35 176.55 1t61 s LEU 7 N -0.34 2.95 -0.11 1.79 2.96 0.18 -4.85 118.68 121.26 1t61 s LEU 7 Ca 0.02 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1t61 s LEU 7 Cb -0.12 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1t61 s LEU 7 CO 0.02 0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.40 1t61 s VAL 8 N 0.38 3.12 -0.05 1.68 1.01 -1.26 0.21 120.40 125.50 1t61 s VAL 8 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1t61 s VAL 8 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1t61 s VAL 8 CO 0.04 0.54 -0.14 -0.54 0.00 0.00 0.00 175.10 175.00 1t61 s LYS 9 N 0.08 1.64 -0.19 2.72 1.02 -0.72 -4.90 119.74 119.39 1t61 s LYS 9 Ca -0.05 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 1t61 s LYS 9 Cb -0.15 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1t61 s LYS 9 CO 0.04 0.15 -0.05 -1.01 -0.92 0.00 0.00 175.35 173.56 1t61 s HIS 10 N 0.27 2.95 0.10 3.18 3.76 -1.26 -1.35 115.29 122.93 1t61 s HIS 10 Ca -0.08 -0.75 0.16 0.00 -0.15 0.00 0.00 55.06 54.25 1t61 s HIS 10 Cb -0.12 -2.04 0.45 0.00 1.11 0.00 0.00 32.58 31.97 1t61 s HIS 10 CO 0.03 -0.39 1.62 0.66 -0.85 0.00 0.00 174.74 175.81 1t61 h SER 11 N 7.62 0.00 -0.80 1.40 4.64 -1.01 -3.47 113.55 121.92 1t61 h SER 11 Ca -0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.65 1t61 h SER 11 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 1t61 h SER 11 CO 0.60 0.47 -0.28 0.00 -0.87 0.00 0.00 176.83 176.74 1t61 n GLN 12 N -3.46 -1.05 -4.25 4.77 6.02 -1.26 -4.96 117.38 113.19 1t61 n GLN 12 Ca 0.00 1.00 -0.15 0.00 -0.01 0.00 0.00 57.00 57.84 1t61 n GLN 12 Cb 0.60 -5.15 -0.09 0.00 1.02 0.00 0.00 30.24 26.62 1t61 n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 13 N -2.57 0.10 -1.05 5.09 -4.23 -1.26 -4.18 115.64 107.54 1t61 s THR 13 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1t61 s THR 13 Cb 0.00 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.64 1t61 s THR 13 CO 0.00 0.00 1.06 -0.90 -0.54 0.00 0.00 174.62 174.24 1t61 n ASP 14 N -0.71 2.56 -4.31 3.99 5.75 -1.26 -1.70 116.55 120.87 1t61 n ASP 14 Ca 0.03 -2.27 -0.32 0.00 -0.01 0.00 0.00 54.79 52.21 1t61 n ASP 14 Cb 0.65 -0.47 -0.16 0.00 -1.03 0.00 0.00 41.12 40.11 1t61 n ASP 14 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1t61 s GLN 15 N -1.68 2.82 0.37 0.11 -1.52 -1.26 -4.90 119.66 113.61 1t61 s GLN 15 Ca 0.21 -0.83 -0.27 0.00 -1.95 0.00 0.00 55.36 52.52 1t61 s GLN 15 Cb 0.15 -2.32 -0.10 0.00 -0.22 0.00 0.00 33.01 30.53 1t61 s GLN 15 CO 0.08 0.34 1.33 -1.21 -0.25 0.00 0.00 175.29 175.58 1t61 s GLU 16 N -0.03 4.13 0.51 2.91 2.02 -1.26 -4.57 118.70 122.42 1t61 s GLU 16 Ca -0.06 2.24 -0.18 0.00 0.02 0.00 0.00 54.97 56.98 1t61 s GLU 16 Cb -0.15 -2.91 -0.07 0.00 0.10 0.00 0.00 34.13 31.10 1t61 s GLU 16 CO 0.05 -0.38 1.02 -1.25 0.02 0.00 0.00 175.26 174.71 1t61 s PRO 17 N -2.05 3.75 0.19 0.39 0.04 -1.26 -5.01 135.00 131.05 1t61 s PRO 17 Ca 0.53 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 1t61 s PRO 17 Cb -0.40 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1t61 s PRO 17 CO 0.52 -0.45 0.80 -1.64 0.04 0.00 0.00 177.00 176.28 1t61 s MET 18 N -3.63 4.59 0.35 4.56 -1.94 -1.26 -4.65 119.30 117.32 1t61 s MET 18 Ca 0.64 1.19 -0.25 0.00 -1.71 0.00 0.00 55.69 55.56 1t61 s MET 18 Cb -0.14 -3.22 -0.10 0.00 2.01 0.00 0.00 34.83 33.38 1t61 s MET 18 CO 0.26 0.54 0.95 0.00 -0.01 0.00 0.00 175.02 176.77 1t61 n PRO 20 N 0.29 1.54 -1.65 0.00 -0.02 -1.26 -4.83 135.00 129.08 1t61 n PRO 20 Ca 0.03 0.56 -0.46 0.00 -2.02 0.00 0.00 63.50 61.61 1t61 n PRO 20 Cb 0.51 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1t61 n PRO 20 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1t61 n VAL 21 N -0.64 1.05 0.00 -1.45 3.14 -1.26 -1.25 118.33 117.92 1t61 n VAL 21 Ca 0.09 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1t61 n VAL 21 Cb 0.41 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 1t61 n VAL 21 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t61 n GLY 22 N 2.00 1.60 3.46 7.55 0.00 -1.26 -5.04 105.19 113.51 1t61 n GLY 22 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1t61 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t61 s MET 23 N -0.76 3.69 0.33 1.61 1.00 -0.38 -5.03 119.30 119.75 1t61 s MET 23 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 55.69 54.95 1t61 s MET 23 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 34.83 31.42 1t61 s MET 23 CO 0.00 -0.14 1.10 -0.80 0.00 0.00 0.00 175.02 175.18 1t61 s ASN 24 N 1.50 7.03 -0.24 3.03 0.01 -1.25 -4.66 114.94 120.35 1t61 s ASN 24 Ca 0.06 2.23 -0.19 0.00 -0.71 0.00 0.00 52.86 54.25 1t61 s ASN 24 Cb -0.15 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.87 1t61 s ASN 24 CO 0.04 -0.31 0.55 -0.75 -1.51 0.00 0.00 177.10 175.12 1t61 s LYS 25 N -1.83 4.11 0.11 -0.60 2.20 -1.26 -0.44 119.74 122.03 1t61 s LYS 25 Ca 0.49 0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 56.44 1t61 s LYS 25 Cb -0.29 -3.63 -0.16 0.00 -1.51 0.00 0.00 37.83 32.24 1t61 s LYS 25 CO 0.38 -0.31 1.25 -0.07 -0.36 0.00 0.00 175.35 176.23 1t61 h LEU 26 N 8.59 0.62 -7.07 5.43 3.38 -0.93 -3.49 115.31 121.84 1t61 h LEU 26 Ca -0.30 -0.52 0.33 0.00 0.09 0.00 0.00 57.88 57.48 1t61 h LEU 26 Cb 1.14 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1t61 h LEU 26 CO 0.74 1.33 0.90 -1.66 0.09 0.00 0.00 178.44 179.84 1t61 s TRP 27 N -3.18 -0.05 0.20 1.13 -2.14 -1.21 -5.02 118.94 108.68 1t61 s TRP 27 Ca -0.07 -0.00 0.10 0.00 2.66 0.00 0.00 56.10 58.79 1t61 s TRP 27 Cb 0.08 0.52 -0.04 0.00 -3.10 0.00 0.00 33.47 30.92 1t61 s TRP 27 CO 0.89 -0.14 -0.20 -1.12 -2.66 0.00 0.00 176.95 173.72 1t61 s SER 28 N -2.60 3.09 0.00 -2.66 0.01 -1.26 -0.63 113.70 109.64 1t61 s SER 28 Ca 0.13 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1t61 s SER 28 Cb 0.03 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1t61 s SER 28 CO -0.04 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1t61 n GLY 29 N -0.01 2.66 3.48 3.44 0.00 -0.34 -4.50 105.19 109.92 1t61 n GLY 29 Ca -0.10 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1t61 n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 30 N -0.97 2.65 -0.60 1.61 1.51 0.14 -1.71 117.35 119.98 1t61 s TYR 30 Ca 0.00 -0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 55.60 1t61 s TYR 30 Cb 0.00 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1t61 s TYR 30 CO 0.00 0.24 1.71 -1.12 -1.11 0.00 0.00 175.55 175.27 1t61 s SER 31 N -1.15 5.57 -0.23 2.29 0.01 -0.31 -1.56 113.70 118.32 1t61 s SER 31 Ca 0.14 0.31 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 1t61 s SER 31 Cb -0.11 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1t61 s SER 31 CO 0.04 -2.15 0.58 -0.22 0.41 0.00 0.00 173.24 171.90 1t61 s LEU 32 N 8.00 4.09 -0.18 2.44 2.96 0.32 -1.13 118.68 135.18 1t61 s LEU 32 Ca 0.62 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 55.07 1t61 s LEU 32 Cb -0.13 -2.79 -0.09 0.00 0.50 0.00 0.00 46.19 43.69 1t61 s LEU 32 CO 0.22 -0.29 -0.11 -0.11 -1.32 0.00 0.00 176.35 174.73 1t61 n LEU 33 N 5.33 1.86 -3.53 -0.68 7.94 -0.22 -4.62 117.00 123.09 1t61 n LEU 33 Ca -0.02 0.50 -0.08 0.00 -1.11 0.00 0.00 56.01 55.29 1t61 n LEU 33 Cb 0.50 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.55 1t61 n LEU 33 CO 0.42 -0.11 0.67 -0.72 -1.11 0.00 0.00 177.39 176.54 1t61 s TYR 34 N -2.41 -0.34 0.08 1.96 1.13 -0.96 -1.68 117.35 115.13 1t61 s TYR 34 Ca -0.24 0.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1t61 s TYR 34 Cb 0.05 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 1t61 s TYR 34 CO 0.39 -0.60 0.06 -0.06 -2.51 0.00 0.00 175.55 172.82 1t61 s PHE 35 N -3.19 3.14 -0.24 -3.49 0.08 -0.26 -0.30 117.98 113.73 1t61 s PHE 35 Ca 0.05 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1t61 s PHE 35 Cb -0.01 -1.61 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1t61 s PHE 35 CO -0.08 0.51 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.51 1t61 s GLU 36 N -2.32 1.52 -0.12 0.44 2.12 -0.15 -0.69 118.70 119.50 1t61 s GLU 36 Ca 0.28 -0.99 0.03 0.00 0.36 0.00 0.00 54.97 54.65 1t61 s GLU 36 Cb -0.12 -2.56 0.01 0.00 0.26 0.00 0.00 34.13 31.72 1t61 s GLU 36 CO 0.21 -0.63 -0.23 0.20 -0.54 0.00 0.00 175.26 174.27 1t61 s GLY 37 N 1.41 1.34 -1.41 -1.50 0.00 -0.82 -2.10 107.32 104.25 1t61 s GLY 37 Ca -0.04 -1.04 -0.10 0.00 0.00 0.00 0.00 44.72 43.54 1t61 s GLY 37 CO -0.07 -0.14 1.07 -1.06 0.00 0.00 0.00 173.10 172.90 1t61 n GLN 38 N 3.85 -6.78 -2.28 2.90 1.13 -1.26 -1.74 117.38 113.21 1t61 n GLN 38 Ca -0.20 0.73 -0.18 0.00 -1.94 0.00 0.00 57.00 55.41 1t61 n GLN 38 Cb 0.52 -5.69 -0.02 0.00 0.11 0.00 0.00 30.24 25.16 1t61 n GLN 38 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1t61 n GLU 39 N -4.79 -1.77 -4.09 -1.09 4.71 -1.26 -4.97 120.64 107.38 1t61 n GLU 39 Ca -0.02 0.93 -0.28 0.00 -0.01 0.00 0.00 57.16 57.78 1t61 n GLU 39 Cb 0.56 -5.53 -0.17 0.00 -1.01 0.00 0.00 31.44 25.30 1t61 n GLU 39 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1t61 s LYS 40 N -4.82 1.99 0.30 3.49 2.47 -0.71 -4.89 119.74 117.56 1t61 s LYS 40 Ca 0.00 -0.45 -0.28 0.00 -1.56 0.00 0.00 55.97 53.69 1t61 s LYS 40 Cb 0.00 -1.85 -0.09 0.00 -1.46 0.00 0.00 37.83 34.43 1t61 s LYS 40 CO 0.00 -0.20 0.98 0.00 0.16 0.00 0.00 175.35 176.29 1t61 s ALA 41 N 1.42 3.27 -0.20 3.13 0.00 -1.26 -1.94 121.76 126.18 1t61 s ALA 41 Ca 0.02 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1t61 s ALA 41 Cb -0.13 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1t61 s ALA 41 CO -0.07 0.08 0.03 -1.58 0.00 0.00 0.00 175.76 174.22 1t61 s HIS 42 N -1.39 1.17 0.37 0.00 2.46 0.13 -4.97 115.29 113.05 1t61 s HIS 42 Ca 0.47 -0.97 -0.04 0.00 0.47 0.00 0.00 55.06 54.99 1t61 s HIS 42 Cb -0.24 -1.10 -0.04 0.00 -0.13 0.00 0.00 32.58 31.06 1t61 s HIS 42 CO 0.30 -0.64 0.63 -0.80 -2.47 0.00 0.00 174.74 171.77 1t61 s ASN 43 N 1.81 6.36 -0.11 9.88 0.01 -1.26 -1.10 114.94 130.53 1t61 s ASN 43 Ca -0.01 0.73 0.02 0.00 -0.71 0.00 0.00 52.86 52.89 1t61 s ASN 43 Cb -0.17 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 1t61 s ASN 43 CO -0.09 -0.34 -0.18 -1.10 -1.51 0.00 0.00 177.10 173.87 1t61 s GLN 44 N -4.12 3.18 0.02 -0.60 -1.52 -0.68 -4.98 119.66 110.96 1t61 s GLN 44 Ca 0.44 -0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 1t61 s GLN 44 Cb -0.10 -2.46 -0.08 0.00 -0.22 0.00 0.00 33.01 30.15 1t61 s GLN 44 CO 0.36 0.22 1.87 0.34 -0.25 0.00 0.00 175.29 177.83 1t61 s ASP 45 N 0.29 6.51 0.11 5.90 -1.08 -1.26 -4.80 116.67 122.34 1t61 s ASP 45 Ca -0.14 2.56 0.11 0.00 -0.52 0.00 0.00 52.55 54.56 1t61 s ASP 45 Cb -0.17 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.28 1t61 s ASP 45 CO 0.07 -1.02 1.33 0.18 0.52 0.00 0.00 175.17 176.25 1t61 n LEU 46 N 7.33 0.22 -0.35 -1.34 4.77 -1.26 -0.98 117.00 125.39 1t61 n LEU 46 Ca 0.19 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.87 1t61 n LEU 46 Cb 0.41 -0.59 0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1t61 n LEU 46 CO 0.66 -0.58 0.43 0.61 -1.33 0.00 0.00 177.39 177.18 1t61 n GLY 47 N -1.02 -0.34 3.76 -0.72 0.00 -1.26 -4.34 105.19 101.26 1t61 n GLY 47 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1t61 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t61 s LEU 48 N -2.54 3.70 0.61 0.99 1.43 -0.15 -4.28 118.68 118.44 1t61 s LEU 48 Ca 0.20 -0.11 0.32 0.00 -1.03 0.00 0.00 54.13 53.50 1t61 s LEU 48 Cb 0.18 -2.36 1.81 0.00 0.03 0.00 0.00 46.19 45.85 1t61 s LEU 48 CO 0.57 0.13 2.14 0.00 0.23 0.00 0.00 176.35 179.42 1t61 h ALA 49 N 2.98 1.58 0.00 4.21 0.00 -1.91 -1.20 119.26 124.91 1t61 h ALA 49 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t61 h ALA 49 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t61 h ALA 49 CO 0.63 -0.22 0.00 0.78 0.00 0.00 0.00 179.25 180.44 1t61 h GLY 50 N 0.00 0.00 -0.10 0.00 0.00 -1.95 -1.26 103.07 99.76 1t61 h GLY 50 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1t61 h GLY 50 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 51 N -2.62 1.03 -4.04 0.19 3.41 -0.45 -4.56 113.62 106.59 1t61 n SER 51 Ca -0.00 -1.43 -0.33 0.00 -0.26 0.00 0.00 58.87 56.85 1t61 n SER 51 Cb 0.17 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1t61 n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 53 N 0.34 4.12 0.22 0.00 2.96 -0.60 -4.77 118.68 120.96 1t61 s LEU 53 Ca 0.14 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 54.72 1t61 s LEU 53 Cb -0.22 -2.82 0.31 0.00 0.50 0.00 0.00 46.19 43.96 1t61 s LEU 53 CO -0.04 -0.27 1.80 0.00 -1.32 0.00 0.00 176.35 176.53 1t61 h ALA 54 N 7.58 1.00 -3.65 5.97 0.00 -1.87 0.39 119.26 128.68 1t61 h ALA 54 Ca -0.31 0.03 -0.68 0.00 0.00 0.00 0.00 54.91 53.95 1t61 h ALA 54 Cb 1.14 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.54 1t61 h ALA 54 CO 0.76 0.04 -0.82 1.03 0.00 0.00 0.00 179.25 180.26 1t61 s ARG 55 N -6.07 2.92 0.28 0.00 0.52 -1.26 -4.61 118.95 110.73 1t61 s ARG 55 Ca -0.13 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1t61 s ARG 55 Cb 0.18 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 1t61 s ARG 55 CO 0.77 0.33 0.49 0.12 0.02 0.00 0.00 175.30 177.02 1t61 s PHE 56 N 0.01 3.49 -0.26 -0.53 2.19 -1.26 -4.95 117.98 116.66 1t61 s PHE 56 Ca -0.06 0.42 -0.27 0.00 0.33 0.00 0.00 56.93 57.35 1t61 s PHE 56 Cb -0.15 -1.93 0.15 0.00 -1.31 0.00 0.00 43.02 39.78 1t61 s PHE 56 CO 0.05 0.24 1.18 0.45 1.83 0.00 0.00 175.22 178.96 1t61 s SER 57 N -3.47 -0.27 0.60 6.13 0.15 -1.26 -5.01 113.70 110.57 1t61 s SER 57 Ca 0.40 0.46 0.37 0.00 0.70 0.00 0.00 55.95 57.88 1t61 s SER 57 Cb -0.10 0.45 1.89 0.00 -1.71 0.00 0.00 66.02 66.55 1t61 s SER 57 CO 0.32 -0.14 2.20 0.71 1.20 0.00 0.00 173.24 177.53 1t61 h THR 58 N 3.06 0.17 -2.77 6.45 1.35 -1.95 -3.27 112.91 115.96 1t61 h THR 58 Ca -0.24 -0.26 -0.60 0.00 -0.55 0.00 0.00 66.41 64.77 1t61 h THR 58 Cb 1.18 1.21 -0.40 0.00 -1.73 0.00 0.00 68.15 68.41 1t61 h THR 58 CO 0.18 0.03 -0.80 -0.32 -0.25 0.00 0.00 175.52 174.36 1t61 s MET 59 N -4.08 1.15 0.00 4.72 -2.45 -1.26 -3.22 119.30 114.17 1t61 s MET 59 Ca -0.03 -2.00 0.19 0.00 -1.25 0.00 0.00 55.69 52.60 1t61 s MET 59 Cb 0.12 -2.00 0.85 0.00 1.25 0.00 0.00 34.83 35.05 1t61 s MET 59 CO 0.50 -1.23 1.58 -0.35 1.05 0.00 0.00 175.02 176.56 1t61 n PRO 60 N 3.36 1.39 -4.24 4.11 -0.04 -1.24 -4.92 135.00 133.43 1t61 n PRO 60 Ca 0.15 -0.59 -0.14 0.00 -0.04 0.00 0.00 63.50 62.87 1t61 n PRO 60 Cb 0.38 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1t61 n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 61 N -1.88 1.34 0.26 0.54 -0.71 -1.26 -5.08 117.98 111.19 1t61 s PHE 61 Ca 0.29 -1.39 0.03 0.00 -1.04 0.00 0.00 56.93 54.82 1t61 s PHE 61 Cb 0.14 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1t61 s PHE 61 CO 0.23 -0.61 0.19 -0.48 -1.34 0.00 0.00 175.22 173.20 1t61 s LEU 62 N -3.23 1.45 0.05 -1.99 0.05 -1.26 -4.53 118.68 109.21 1t61 s LEU 62 Ca 0.39 -1.55 -0.04 0.00 0.05 0.00 0.00 54.13 52.97 1t61 s LEU 62 Cb 0.06 0.43 -0.02 0.00 -2.05 0.00 0.00 46.19 44.61 1t61 s LEU 62 CO 0.15 -0.93 0.06 -0.72 -0.55 0.00 0.00 176.35 174.36 1t61 s TYR 63 N -3.81 0.28 0.11 3.48 -0.85 -0.87 -4.99 117.35 110.69 1t61 s TYR 63 Ca 0.39 -0.67 0.04 0.00 -0.52 0.00 0.00 57.07 56.32 1t61 s TYR 63 Cb 0.05 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 1t61 s TYR 63 CO 0.19 -0.38 -0.11 0.00 -1.52 0.00 0.00 175.55 173.74 1t61 s ASN 65 N -2.59 4.27 0.00 0.00 2.20 -0.45 -4.99 114.94 113.37 1t61 s ASN 65 Ca 0.08 -1.00 0.00 0.00 -0.94 0.00 0.00 52.86 51.00 1t61 s ASN 65 Cb -0.02 -0.54 0.01 0.00 -2.00 0.00 0.00 41.25 38.70 1t61 s ASN 65 CO 0.00 -0.31 0.99 -2.65 -2.94 0.00 0.00 177.10 172.19 1t61 n PRO 66 N -1.03 0.00 -0.18 3.55 -0.02 -1.26 -2.15 135.00 133.91 1t61 n PRO 66 Ca -0.04 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1t61 n PRO 66 Cb 0.63 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.71 1t61 n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t61 n GLY 67 N -1.45 1.03 3.45 -1.23 0.00 -1.26 -4.87 105.19 100.86 1t61 n GLY 67 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1t61 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t61 n ASP 68 N 0.12 -2.84 -3.92 1.61 10.43 -0.92 -5.02 116.55 116.02 1t61 n ASP 68 Ca 0.07 -0.60 -0.20 0.00 2.57 0.00 0.00 54.79 56.62 1t61 n ASP 68 Cb 0.35 -5.10 -0.16 0.00 1.84 0.00 0.00 41.12 38.06 1t61 n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1t61 s VAL 69 N -3.35 0.63 0.03 2.53 1.01 -1.24 -5.02 120.40 114.98 1t61 s VAL 69 Ca 0.11 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1t61 s VAL 69 Cb -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1t61 s VAL 69 CO 0.73 0.24 -0.24 0.00 0.00 0.00 0.00 175.10 175.83 1t61 s TYR 71 N -0.75 2.34 -0.15 0.00 2.02 0.74 -4.98 117.35 116.57 1t61 s TYR 71 Ca 0.10 -1.05 0.01 0.00 -0.37 0.00 0.00 57.07 55.75 1t61 s TYR 71 Cb -0.09 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1t61 s TYR 71 CO 0.01 -0.47 -0.16 -0.47 -1.57 0.00 0.00 175.55 172.89 1t61 s TYR 72 N 0.65 2.77 -1.70 2.71 6.14 -1.26 -2.05 117.35 124.61 1t61 s TYR 72 Ca -0.12 -1.09 -0.18 0.00 0.64 0.00 0.00 57.07 56.31 1t61 s TYR 72 Cb -0.16 -1.88 0.15 0.00 0.42 0.00 0.00 41.96 40.49 1t61 s TYR 72 CO 0.03 -0.50 0.78 0.00 0.64 0.00 0.00 175.55 176.50 1t61 n ALA 73 N 4.07 -1.28 -1.27 3.97 0.00 -1.26 -4.85 120.51 119.89 1t61 n ALA 73 Ca -0.19 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.32 1t61 n ALA 73 Cb 0.52 -3.44 0.15 0.00 0.00 0.00 0.00 19.45 16.68 1t61 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t61 n SER 74 N -2.67 2.07 0.00 0.00 7.64 -1.26 -4.74 113.62 114.66 1t61 n SER 74 Ca 0.06 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.68 1t61 n SER 74 Cb 0.50 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1t61 n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t61 n ARG 75 N -1.27 0.00 -2.32 1.43 0.63 -1.26 -5.08 116.66 108.79 1t61 n ARG 75 Ca 0.16 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.11 1t61 n ARG 75 Cb 0.66 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.61 1t61 n ARG 75 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t61 n ASN 76 N 0.00 1.31 -4.71 6.15 5.03 -1.26 -4.87 115.26 116.91 1t61 n ASN 76 Ca 0.00 -2.01 -0.26 0.00 0.87 0.00 0.00 54.58 53.17 1t61 n ASN 76 Cb 0.00 -0.40 0.10 0.00 -1.02 0.00 0.00 39.78 38.47 1t61 n ASN 76 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t61 s ASP 77 N -3.08 4.36 0.33 6.41 -0.00 -1.26 -4.96 116.67 118.46 1t61 s ASP 77 Ca 0.29 0.27 -0.11 0.00 -0.00 0.00 0.00 52.55 53.01 1t61 s ASP 77 Cb 0.35 -0.73 0.02 0.00 -0.00 0.00 0.00 42.92 42.55 1t61 s ASP 77 CO -0.09 -1.90 0.59 -1.59 -0.00 0.00 0.00 175.17 172.18 1t61 s LYS 78 N -5.37 1.91 0.05 8.23 -2.85 -0.89 -3.12 119.74 117.70 1t61 s LYS 78 Ca 0.64 -1.47 0.01 0.00 -1.00 0.00 0.00 55.97 54.15 1t61 s LYS 78 Cb -0.08 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 1t61 s LYS 78 CO 0.46 -0.83 -0.06 -1.54 0.10 0.00 0.00 175.35 173.48 1t61 s SER 79 N -3.11 0.73 -0.03 0.03 1.04 -0.54 -0.97 113.70 110.85 1t61 s SER 79 Ca 0.22 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.98 1t61 s SER 79 Cb -0.02 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.18 1t61 s SER 79 CO 0.14 -0.34 -0.15 -0.31 0.98 0.00 0.00 173.24 173.56 1t61 s TYR 80 N -2.28 1.46 0.06 5.02 2.02 0.59 -0.53 117.35 123.70 1t61 s TYR 80 Ca -0.04 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 1t61 s TYR 80 Cb -0.04 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 1t61 s TYR 80 CO -0.03 -0.12 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.15 1t61 s TRP 81 N 0.00 0.94 0.44 2.71 0.52 -0.84 -1.05 118.94 121.66 1t61 s TRP 81 Ca -0.02 -0.53 -0.25 0.00 0.02 0.00 0.00 56.10 55.33 1t61 s TRP 81 Cb -0.10 -0.54 -0.08 0.00 -1.15 0.00 0.00 33.47 31.61 1t61 s TRP 81 CO 0.01 -0.02 1.30 -1.17 0.02 0.00 0.00 176.95 177.09 1t61 s LEU 82 N -1.84 4.12 0.50 2.99 2.96 -0.28 -0.53 118.68 126.59 1t61 s LEU 82 Ca -0.04 2.64 0.04 0.00 -0.22 0.00 0.00 54.13 56.55 1t61 s LEU 82 Cb -0.08 -4.02 -0.00 0.00 0.50 0.00 0.00 46.19 42.59 1t61 s LEU 82 CO 0.01 -1.00 0.18 -0.94 -1.32 0.00 0.00 176.35 173.27 1t61 s SER 83 N -0.85 4.35 0.00 3.68 1.04 -0.06 -1.29 113.70 120.58 1t61 s SER 83 Ca 0.61 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1t61 s SER 83 Cb -0.37 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1t61 s SER 83 CO 0.47 -0.88 0.00 0.35 0.98 0.00 0.00 173.24 174.16 1t61 n THR 84 N -1.43 0.00 1.16 2.02 -2.24 -0.71 -4.51 114.28 108.57 1t61 n THR 84 Ca -0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1t61 n THR 84 Cb 0.66 -0.75 0.20 0.00 -2.10 0.00 0.00 70.33 68.33 1t61 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t61 n THR 85 N -0.71 0.33 -1.68 4.28 -2.24 -1.26 -4.90 114.28 108.11 1t61 n THR 85 Ca 0.00 -0.36 -0.45 0.00 -2.27 0.00 0.00 64.05 60.98 1t61 n THR 85 Cb 0.00 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1t61 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t61 n ALA 86 N 0.28 1.31 -1.71 6.98 0.00 -1.26 -4.86 120.51 121.25 1t61 n ALA 86 Ca 0.11 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.54 1t61 n ALA 86 Cb 0.25 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 1t61 n ALA 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t61 n PRO 87 N 2.41 2.23 -1.67 0.00 -0.04 -1.26 -4.90 135.00 131.77 1t61 n PRO 87 Ca 0.13 0.78 -0.45 0.00 -0.04 0.00 0.00 63.50 63.92 1t61 n PRO 87 Cb 0.31 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 1t61 n PRO 87 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t61 n LEU 88 N 0.89 3.80 -4.83 1.53 4.77 -1.26 -4.94 117.00 116.96 1t61 n LEU 88 Ca 0.05 0.95 -0.32 0.00 -0.03 0.00 0.00 56.01 56.66 1t61 n LEU 88 Cb 0.36 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1t61 n LEU 88 CO 0.63 0.07 0.70 -2.16 -1.33 0.00 0.00 177.39 175.29 1t61 s PRO 89 N 3.90 3.65 0.02 3.23 0.04 -1.26 -4.94 135.00 139.64 1t61 s PRO 89 Ca 0.89 1.04 0.28 0.00 0.04 0.00 0.00 61.00 63.25 1t61 s PRO 89 Cb -0.56 -2.09 0.98 0.00 0.04 0.00 0.00 34.50 32.87 1t61 s PRO 89 CO 0.45 -0.52 1.76 -1.33 0.04 0.00 0.00 177.00 177.39 1t61 n MET 90 N -1.86 0.03 -3.82 4.56 2.81 -1.26 -4.81 117.12 112.76 1t61 n MET 90 Ca 0.07 0.02 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 1t61 n MET 90 Cb 0.54 -1.53 -0.08 0.00 -0.71 0.00 0.00 33.22 31.44 1t61 n MET 90 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1t61 s MET 91 N -3.01 0.76 0.43 0.03 0.00 -1.26 -5.14 119.30 111.11 1t61 s MET 91 Ca 0.13 -0.68 -0.23 0.00 0.00 0.00 0.00 55.69 54.91 1t61 s MET 91 Cb 0.18 0.32 -0.11 0.00 0.00 0.00 0.00 34.83 35.22 1t61 s MET 91 CO 0.59 -0.23 0.87 -2.30 0.00 0.00 0.00 175.02 173.94 1t61 n PRO 92 N 0.47 1.08 -3.82 3.16 -0.02 -1.26 -4.98 135.00 129.63 1t61 n PRO 92 Ca -0.18 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 1t61 n PRO 92 Cb 0.60 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 1t61 n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t61 s VAL 93 N -1.34 5.42 0.08 -1.45 -7.23 -0.12 -4.91 120.40 110.86 1t61 s VAL 93 Ca 0.64 0.30 0.08 0.00 -1.81 0.00 0.00 61.98 61.18 1t61 s VAL 93 Cb -0.57 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 32.88 1t61 s VAL 93 CO 0.56 0.60 -0.16 0.00 -0.31 0.00 0.00 175.10 175.79 1t61 s ALA 94 N -1.06 2.73 0.00 1.32 0.00 -1.26 -1.47 121.76 122.02 1t61 s ALA 94 Ca 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1t61 s ALA 94 Cb -0.13 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1t61 s ALA 94 CO 0.06 0.60 0.00 0.39 0.00 0.00 0.00 175.76 176.81 1t61 n GLU 95 N 1.09 0.00 -0.07 0.00 1.02 -0.99 -1.17 120.64 120.52 1t61 n GLU 95 Ca -0.15 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.17 1t61 n GLU 95 Cb 0.52 0.00 0.62 0.00 -0.02 0.00 0.00 31.44 32.56 1t61 n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t61 h GLU 96 N 0.00 0.15 0.00 3.49 4.57 -1.97 -0.42 114.58 120.41 1t61 h GLU 96 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1t61 h GLU 96 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1t61 h GLU 96 CO 0.00 0.10 0.00 -0.25 -1.18 0.00 0.00 179.01 177.68 1t61 n ASP 97 N -4.41 0.60 0.03 1.04 10.43 -0.32 -2.45 116.55 121.46 1t61 n ASP 97 Ca 0.12 0.68 -0.10 0.00 2.57 0.00 0.00 54.79 58.05 1t61 n ASP 97 Cb 0.58 -0.80 0.03 0.00 1.84 0.00 0.00 41.12 42.78 1t61 n ASP 97 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1t61 h ILE 98 N 0.00 1.35 -1.00 0.53 2.04 -1.18 -3.37 117.51 115.88 1t61 h ILE 98 Ca 0.00 -2.00 0.20 0.00 1.00 0.00 0.00 64.86 64.06 1t61 h ILE 98 Cb 0.25 1.98 -0.19 0.00 -0.74 0.00 0.00 36.82 38.12 1t61 h ILE 98 CO 0.00 0.61 -0.26 -0.09 0.00 0.00 0.00 178.15 178.41 1t61 h ARG 99 N 0.35 -0.00 0.00 2.37 2.43 -1.63 0.81 114.38 118.71 1t61 h ARG 99 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1t61 h ARG 99 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1t61 h ARG 99 CO 0.12 -0.00 0.00 -1.35 -1.51 0.00 0.00 179.97 177.23 1t61 h PRO 100 N -0.00 0.00 0.00 0.20 0.11 -1.82 -2.97 132.00 127.52 1t61 h PRO 100 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1t61 h PRO 100 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1t61 h PRO 100 CO -1.02 0.00 -0.77 1.88 -0.21 0.00 0.00 178.00 177.88 1t61 h TYR 101 N 0.00 0.00 -3.48 0.65 0.05 -1.08 -3.41 116.97 109.69 1t61 h TYR 101 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 1t61 h TYR 101 Cb 0.16 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.79 1t61 h TYR 101 CO 0.00 0.00 -0.08 0.42 -1.05 0.00 0.00 178.16 177.45 1t61 s ILE 102 N -3.29 5.13 0.54 -2.88 -1.09 -1.13 -1.74 121.20 116.75 1t61 s ILE 102 Ca 0.02 0.88 -0.21 0.00 -2.23 0.00 0.00 60.65 59.11 1t61 s ILE 102 Cb 0.10 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1t61 s ILE 102 CO 0.76 0.19 1.25 -0.55 -1.23 0.00 0.00 174.94 175.35 1t61 s SER 103 N 1.17 5.47 0.28 3.58 0.15 -0.41 -4.34 113.70 119.59 1t61 s SER 103 Ca 0.22 2.50 0.08 0.00 0.70 0.00 0.00 55.95 59.45 1t61 s SER 103 Cb -0.15 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1t61 s SER 103 CO 0.09 -1.41 0.18 -0.13 1.20 0.00 0.00 173.24 173.17 1t61 s ARG 104 N -3.01 2.74 0.17 5.44 1.81 -0.69 -1.16 118.95 124.25 1t61 s ARG 104 Ca 0.72 -1.19 -0.06 0.00 -1.72 0.00 0.00 55.73 53.47 1t61 s ARG 104 Cb -0.33 -2.45 -0.02 0.00 -0.45 0.00 0.00 34.95 31.69 1t61 s ARG 104 CO 0.39 0.32 0.22 0.00 -0.68 0.00 0.00 175.30 175.54 1t61 s SER 106 N -3.02 -0.05 -0.26 0.00 0.01 -0.46 -1.20 113.70 108.72 1t61 s SER 106 Ca 0.22 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.53 1t61 s SER 106 Cb 0.05 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 1t61 s SER 106 CO 0.03 -0.03 0.06 -0.69 0.41 0.00 0.00 173.24 173.03 1t61 s VAL 107 N 0.11 4.13 0.03 3.43 1.01 0.20 -1.75 120.40 127.56 1t61 s VAL 107 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1t61 s VAL 107 Cb -0.01 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1t61 s VAL 107 CO -0.00 0.27 -0.15 0.00 0.00 0.00 0.00 175.10 175.22 1t61 s GLU 109 N -1.46 4.24 0.25 0.00 2.12 0.42 0.48 118.70 124.74 1t61 s GLU 109 Ca 0.15 0.90 0.09 0.00 0.36 0.00 0.00 54.97 56.48 1t61 s GLU 109 Cb -0.11 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1t61 s GLU 109 CO 0.06 -0.37 -0.03 0.00 -0.54 0.00 0.00 175.26 174.37 1t61 s ALA 110 N 2.34 3.10 0.24 6.30 0.00 0.12 -3.86 121.76 129.99 1t61 s ALA 110 Ca 0.35 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.73 1t61 s ALA 110 Cb -0.16 -0.74 0.27 0.00 0.00 0.00 0.00 23.12 22.48 1t61 s ALA 110 CO 0.10 0.32 1.57 -1.35 0.00 0.00 0.00 175.76 176.40 1t61 h PRO 111 N 2.15 0.25 0.00 0.00 0.11 -1.96 -3.27 132.00 129.28 1t61 h PRO 111 Ca -0.45 -0.16 -0.31 0.00 0.11 0.00 0.00 66.00 65.19 1t61 h PRO 111 Cb 1.24 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 1t61 h PRO 111 CO 0.59 0.76 -0.26 0.00 -0.21 0.00 0.00 178.00 178.88 1t61 n ALA 112 N -2.47 0.18 -1.89 -0.75 0.00 -1.26 -4.89 120.51 109.44 1t61 n ALA 112 Ca -0.02 -1.46 -0.38 0.00 0.00 0.00 0.00 53.44 51.58 1t61 n ALA 112 Cb 0.60 1.18 -0.06 0.00 0.00 0.00 0.00 19.45 21.17 1t61 n ALA 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1t61 s VAL 113 N -2.93 4.30 -0.09 0.00 -7.23 -1.26 -4.78 120.40 108.40 1t61 s VAL 113 Ca 0.28 1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 62.15 1t61 s VAL 113 Cb 0.00 -4.05 -0.03 0.00 0.56 0.00 0.00 36.38 32.86 1t61 s VAL 113 CO 0.20 0.29 0.01 0.00 -0.31 0.00 0.00 175.10 175.29 1t61 s ALA 114 N -1.43 3.30 0.33 1.32 0.00 -1.26 -4.20 121.76 119.81 1t61 s ALA 114 Ca 0.44 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1t61 s ALA 114 Cb -0.20 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1t61 s ALA 114 CO 0.25 0.56 0.05 0.96 0.00 0.00 0.00 175.76 177.59 1t61 s ILE 115 N -0.80 1.23 0.03 0.00 -4.36 0.08 -4.57 121.20 112.82 1t61 s ILE 115 Ca 0.12 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 1t61 s ILE 115 Cb -0.11 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 1t61 s ILE 115 CO 0.02 -0.01 -0.23 0.00 0.24 0.00 0.00 174.94 174.97 1t61 s ALA 116 N -3.27 2.37 -0.01 2.27 0.00 -0.45 -0.43 121.76 122.24 1t61 s ALA 116 Ca 0.36 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1t61 s ALA 116 Cb 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1t61 s ALA 116 CO 0.16 0.55 -0.21 0.14 0.00 0.00 0.00 175.76 176.40 1t61 s VAL 117 N -0.81 1.62 -0.02 0.00 -7.23 -0.44 -4.48 120.40 109.04 1t61 s VAL 117 Ca 0.12 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.45 1t61 s VAL 117 Cb -0.10 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 1t61 s VAL 117 CO 0.02 0.43 -0.22 -1.00 -0.31 0.00 0.00 175.10 174.02 1t61 s HIS 118 N -0.52 2.00 -0.13 2.82 3.76 -1.26 -1.71 115.29 120.25 1t61 s HIS 118 Ca 0.08 -0.38 0.19 0.00 -0.15 0.00 0.00 55.06 54.80 1t61 s HIS 118 Cb -0.08 -1.29 -0.23 0.00 1.11 0.00 0.00 32.58 32.10 1t61 s HIS 118 CO -0.00 -0.03 0.49 -1.13 -0.85 0.00 0.00 174.74 173.21 1t61 n SER 119 N 2.53 0.35 -3.38 1.40 3.41 -0.61 -4.96 113.62 112.36 1t61 n SER 119 Ca -0.15 0.15 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1t61 n SER 119 Cb 0.52 0.94 0.03 0.00 -0.26 0.00 0.00 64.21 65.44 1t61 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 n GLN 120 N -2.67 -5.04 -3.88 4.33 6.02 -1.26 -4.93 117.38 109.95 1t61 n GLN 120 Ca -0.15 0.71 -0.09 0.00 -0.01 0.00 0.00 57.00 57.46 1t61 n GLN 120 Cb 0.86 -5.57 -0.05 0.00 1.02 0.00 0.00 30.24 26.50 1t61 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1t61 s ASP 121 N -2.92 -0.13 0.40 1.08 2.15 -1.26 -1.09 116.67 114.90 1t61 s ASP 121 Ca 0.45 -0.72 0.27 0.00 0.43 0.00 0.00 52.55 52.98 1t61 s ASP 121 Cb -0.21 0.55 0.86 0.00 -0.30 0.00 0.00 42.92 43.81 1t61 s ASP 121 CO 0.55 -1.05 1.77 -0.37 -0.17 0.00 0.00 175.17 175.90 1t61 h VAL 122 N 2.29 0.00 -3.53 1.11 -1.51 -1.87 -3.09 116.25 109.66 1t61 h VAL 122 Ca -0.28 -0.62 -0.52 0.00 -1.23 0.00 0.00 66.70 64.05 1t61 h VAL 122 Cb 1.25 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1t61 h VAL 122 CO 0.39 0.00 0.45 -0.44 -1.23 0.00 0.00 177.57 176.74 1t61 s SER 123 N -5.39 7.32 -0.09 4.19 0.01 -1.26 -4.85 113.70 113.64 1t61 s SER 123 Ca 0.05 1.99 -0.30 0.00 1.31 0.00 0.00 55.95 59.00 1t61 s SER 123 Cb 0.08 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1t61 s SER 123 CO 0.57 -0.20 1.26 -0.63 0.41 0.00 0.00 173.24 174.65 1t61 s ILE 124 N -0.03 4.17 0.33 1.44 1.01 -1.26 -4.62 121.20 122.25 1t61 s ILE 124 Ca 0.50 1.48 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 1t61 s ILE 124 Cb -0.27 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 1t61 s ILE 124 CO 0.33 -0.05 1.16 -2.16 0.00 0.00 0.00 174.94 174.22 1t61 s PRO 125 N 2.73 4.40 0.63 2.79 0.04 -1.26 -5.02 135.00 139.31 1t61 s PRO 125 Ca 0.57 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 1t61 s PRO 125 Cb -0.25 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1t61 s PRO 125 CO 0.20 -0.03 1.06 -1.01 0.04 0.00 0.00 177.00 177.26 1t61 s HIS 126 N -1.25 3.02 0.49 0.56 3.76 -1.26 -4.58 115.29 116.03 1t61 s HIS 126 Ca 0.49 1.48 -0.16 0.00 -0.15 0.00 0.00 55.06 56.72 1t61 s HIS 126 Cb -0.33 -2.97 -0.08 0.00 1.11 0.00 0.00 32.58 30.31 1t61 s HIS 126 CO 0.42 -1.17 0.96 0.00 -0.85 0.00 0.00 174.74 174.10 1t61 n PRO 128 N -1.43 -0.14 -1.89 0.00 -0.02 -1.26 -4.83 135.00 125.43 1t61 n PRO 128 Ca 0.06 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 1t61 n PRO 128 Cb 0.54 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1t61 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t61 s ALA 129 N -2.34 3.65 0.00 3.55 0.00 -1.26 -1.68 121.76 123.68 1t61 s ALA 129 Ca 0.66 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1t61 s ALA 129 Cb -0.26 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1t61 s ALA 129 CO 0.58 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1t61 n GLY 130 N 1.70 0.80 3.43 0.00 0.00 -1.26 -5.04 105.19 104.82 1t61 n GLY 130 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1t61 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t61 s TRP 131 N -2.87 2.48 0.13 1.61 0.52 -0.67 -0.70 118.94 119.44 1t61 s TRP 131 Ca 0.00 -0.30 0.07 0.00 0.02 0.00 0.00 56.10 55.89 1t61 s TRP 131 Cb 0.00 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.88 1t61 s TRP 131 CO 0.00 0.27 -0.04 -0.98 0.02 0.00 0.00 176.95 176.22 1t61 s ARG 132 N -1.62 2.32 0.15 4.98 1.70 0.07 -4.71 118.95 121.84 1t61 s ARG 132 Ca 0.15 -1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.07 1t61 s ARG 132 Cb -0.10 -2.36 -0.07 0.00 -0.57 0.00 0.00 34.95 31.84 1t61 s ARG 132 CO 0.06 0.49 0.99 0.45 -1.08 0.00 0.00 175.30 176.21 1t61 s SER 133 N -2.56 7.47 -0.22 -2.89 0.15 -1.26 -1.23 113.70 113.15 1t61 s SER 133 Ca 0.25 1.90 0.05 0.00 0.70 0.00 0.00 55.95 58.85 1t61 s SER 133 Cb -0.10 -2.60 -0.17 0.00 -1.71 0.00 0.00 66.02 61.44 1t61 s SER 133 CO 0.17 -0.06 -0.16 0.18 1.20 0.00 0.00 173.24 174.57 1t61 n LEU 134 N 2.42 2.40 -3.60 3.45 4.77 0.11 -4.94 117.00 121.60 1t61 n LEU 134 Ca 0.02 -0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.85 1t61 n LEU 134 Cb 0.48 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1t61 n LEU 134 CO 0.52 0.81 0.83 -1.66 -1.33 0.00 0.00 177.39 176.56 1t61 s TRP 135 N -2.46 -0.19 0.15 -1.77 -2.14 -1.20 -5.00 118.94 106.32 1t61 s TRP 135 Ca -0.27 0.05 0.11 0.00 2.66 0.00 0.00 56.10 58.64 1t61 s TRP 135 Cb 0.08 0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 1t61 s TRP 135 CO 0.58 -0.48 -0.25 0.96 -2.66 0.00 0.00 176.95 175.10 1t61 s ILE 136 N -2.87 2.26 0.00 0.66 -4.36 -1.26 -0.60 121.20 115.03 1t61 s ILE 136 Ca 0.09 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1t61 s ILE 136 Cb -0.00 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.69 1t61 s ILE 136 CO -0.05 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1t61 n GLY 137 N 0.66 2.95 3.35 6.27 0.00 -0.36 -4.31 105.19 113.74 1t61 n GLY 137 Ca -0.16 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1t61 n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 138 N -1.13 2.32 -0.77 1.61 1.51 0.67 -1.74 117.35 119.81 1t61 s TYR 138 Ca 0.00 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1t61 s TYR 138 Cb 0.00 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1t61 s TYR 138 CO 0.00 0.16 1.84 -1.12 -1.11 0.00 0.00 175.55 175.32 1t61 s SER 139 N -1.39 5.35 -0.44 2.29 0.01 -0.40 -2.21 113.70 116.91 1t61 s SER 139 Ca 0.12 -0.27 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 1t61 s SER 139 Cb -0.10 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1t61 s SER 139 CO 0.03 -2.45 0.74 0.12 0.41 0.00 0.00 173.24 172.08 1t61 s PHE 140 N 9.05 3.02 -0.22 2.43 5.36 0.36 -1.91 117.98 136.08 1t61 s PHE 140 Ca 0.65 0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 56.56 1t61 s PHE 140 Cb -0.09 -3.55 -0.12 0.00 -0.34 0.00 0.00 43.02 38.92 1t61 s PHE 140 CO 0.09 -0.94 -0.11 -0.11 -1.46 0.00 0.00 175.22 172.69 1t61 n LEU 141 N 6.56 1.89 -3.88 6.12 7.94 -0.19 -4.50 117.00 130.95 1t61 n LEU 141 Ca 0.01 0.42 -0.10 0.00 -1.11 0.00 0.00 56.01 55.22 1t61 n LEU 141 Cb 0.48 -0.87 0.01 0.00 0.53 0.00 0.00 43.42 43.57 1t61 n LEU 141 CO 0.57 0.18 0.43 0.00 -1.11 0.00 0.00 177.39 177.47 1t61 s MET 142 N -2.46 2.18 0.07 1.96 0.23 -1.06 -0.58 119.30 119.65 1t61 s MET 142 Ca -0.30 -1.55 -0.22 0.00 -1.03 0.00 0.00 55.69 52.60 1t61 s MET 142 Cb 0.08 0.58 0.05 0.00 -1.53 0.00 0.00 34.83 34.01 1t61 s MET 142 CO 0.48 -1.00 0.52 -3.38 -2.03 0.00 0.00 175.02 169.61 1t61 s HIS 143 N -2.42 -0.41 0.03 3.16 -3.43 0.37 -0.23 115.29 112.35 1t61 s HIS 143 Ca 0.20 0.38 -0.08 0.00 -0.80 0.00 0.00 55.06 54.75 1t61 s HIS 143 Cb -0.04 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 1t61 s HIS 143 CO 0.14 -0.68 0.17 0.95 -2.00 0.00 0.00 174.74 173.31 1t61 s THR 144 N -2.81 0.11 0.00 -5.38 -4.23 -0.76 -1.52 115.64 101.05 1t61 s THR 144 Ca -0.03 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1t61 s THR 144 Cb -0.00 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.04 1t61 s THR 144 CO -0.05 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.55 1t61 n ALA 145 N 0.89 0.00 -1.67 3.99 0.00 -0.73 -0.55 120.51 122.45 1t61 n ALA 145 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.80 1t61 n ALA 145 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 1t61 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t61 n ALA 146 N -3.00 1.05 -0.91 0.00 0.00 -1.26 -4.48 120.51 111.91 1t61 n ALA 146 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1t61 n ALA 146 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1t61 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 147 N 1.93 3.46 0.27 0.00 0.00 -1.26 -1.97 105.19 107.62 1t61 n GLY 147 Ca 0.11 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1t61 n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t61 n ASP 148 N 4.28 1.86 -4.84 1.61 3.85 -1.26 -5.04 116.55 117.00 1t61 n ASP 148 Ca 0.00 -3.03 -0.32 0.00 -0.71 0.00 0.00 54.79 50.73 1t61 n ASP 148 Cb 0.00 -0.41 -0.04 0.00 -1.35 0.00 0.00 41.12 39.32 1t61 n ASP 148 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1t61 s GLU 149 N -2.42 3.95 0.00 0.11 0.41 -0.83 -4.89 118.70 115.02 1t61 s GLU 149 Ca 0.28 0.90 0.00 0.00 -0.41 0.00 0.00 54.97 55.75 1t61 s GLU 149 Cb 0.26 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 1t61 s GLU 149 CO 0.00 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 174.97 1t61 n GLY 150 N -1.46 -0.67 0.00 -1.39 0.00 -1.26 -1.77 105.19 98.64 1t61 n GLY 150 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1t61 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t61 n GLY 151 N 0.00 -0.63 3.84 -0.02 0.00 -0.58 -4.75 105.19 103.06 1t61 n GLY 151 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 1t61 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t61 s GLY 152 N 0.00 0.27 0.24 -0.02 0.00 -1.26 -0.48 107.32 106.07 1t61 s GLY 152 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 44.72 44.21 1t61 s GLY 152 CO 0.00 1.00 0.15 1.20 0.00 0.00 0.00 173.10 175.45 1t61 s GLN 153 N -2.18 2.81 -0.12 2.90 -1.52 0.26 -4.93 119.66 116.88 1t61 s GLN 153 Ca 0.19 -1.08 -0.25 0.00 -1.95 0.00 0.00 55.36 52.27 1t61 s GLN 153 Cb -0.04 -2.51 -0.02 0.00 -0.22 0.00 0.00 33.01 30.22 1t61 s GLN 153 CO 0.09 0.41 0.77 0.45 -0.25 0.00 0.00 175.29 176.76 1t61 s SER 154 N -3.67 6.97 0.30 5.90 0.15 -1.26 -4.91 113.70 117.18 1t61 s SER 154 Ca 0.32 1.18 0.23 0.00 0.70 0.00 0.00 55.95 58.39 1t61 s SER 154 Cb -0.08 -2.44 1.09 0.00 -1.71 0.00 0.00 66.02 62.88 1t61 s SER 154 CO 0.24 -0.27 1.71 0.18 1.20 0.00 0.00 173.24 176.30 1t61 n LEU 155 N 4.57 0.66 -0.08 3.45 4.77 -1.26 -1.25 117.00 127.86 1t61 n LEU 155 Ca 0.02 0.72 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 1t61 n LEU 155 Cb 0.50 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1t61 n LEU 155 CO 0.48 -0.74 0.17 0.55 -1.33 0.00 0.00 177.39 176.52 1t61 n VAL 156 N -2.29 0.00 -3.08 4.08 3.14 -1.26 -4.49 118.33 114.43 1t61 n VAL 156 Ca 0.01 -0.04 -0.37 0.00 -2.96 0.00 0.00 64.34 60.97 1t61 n VAL 156 Cb 0.15 0.80 -0.06 0.00 -1.06 0.00 0.00 33.84 33.67 1t61 n VAL 156 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1t61 s SER 157 N -2.90 7.13 0.67 6.55 0.15 -0.38 -1.33 113.70 123.59 1t61 s SER 157 Ca 0.11 1.46 0.42 0.00 0.70 0.00 0.00 55.95 58.65 1t61 s SER 157 Cb 0.17 -2.43 2.29 0.00 -1.71 0.00 0.00 66.02 64.34 1t61 s SER 157 CO 0.76 0.08 2.29 -0.65 1.20 0.00 0.00 173.24 176.93 1t61 h PRO 158 N 3.68 0.00 0.00 5.44 0.11 -1.84 -1.74 132.00 137.65 1t61 h PRO 158 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1t61 h PRO 158 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t61 h PRO 158 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t61 h GLY 159 N 0.00 0.00 -0.26 -0.55 0.00 -1.85 -2.03 103.07 98.38 1t61 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 160 N -2.75 1.19 -3.88 0.19 3.41 -0.65 -4.60 113.62 106.53 1t61 n SER 160 Ca 0.00 -1.48 -0.30 0.00 -0.26 0.00 0.00 58.87 56.83 1t61 n SER 160 Cb 0.20 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 1t61 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 162 N 0.46 4.31 0.31 0.00 1.43 -0.94 -4.77 118.68 119.48 1t61 s LEU 162 Ca 0.14 0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1t61 s LEU 162 Cb -0.23 -2.67 0.49 0.00 0.03 0.00 0.00 46.19 43.81 1t61 s LEU 162 CO -0.06 0.06 1.93 -0.33 0.23 0.00 0.00 176.35 178.18 1t61 h GLU 163 N 6.35 0.91 -5.03 1.70 5.08 -1.89 0.19 114.58 121.88 1t61 h GLU 163 Ca -0.43 -0.10 -0.66 0.00 -1.00 0.00 0.00 59.36 57.17 1t61 h GLU 163 Cb 1.18 -0.18 -0.28 0.00 0.50 0.00 0.00 28.75 29.97 1t61 h GLU 163 CO 0.73 0.67 -0.74 0.34 -1.00 0.00 0.00 179.01 179.02 1t61 s ASP 164 N -6.46 4.19 0.29 1.42 3.68 -1.26 -4.62 116.67 113.91 1t61 s ASP 164 Ca -0.10 -0.40 -0.29 0.00 2.13 0.00 0.00 52.55 53.88 1t61 s ASP 164 Cb 0.17 -1.71 -0.10 0.00 -1.45 0.00 0.00 42.92 39.83 1t61 s ASP 164 CO 0.79 0.00 1.14 0.12 0.13 0.00 0.00 175.17 177.34 1t61 s PHE 165 N 1.34 3.47 -0.05 -5.34 2.19 -1.26 -4.95 117.98 113.38 1t61 s PHE 165 Ca 0.04 1.65 -0.02 0.00 0.33 0.00 0.00 56.93 58.92 1t61 s PHE 165 Cb -0.14 -3.36 0.03 0.00 -1.31 0.00 0.00 43.02 38.24 1t61 s PHE 165 CO -0.03 -0.80 0.11 1.03 1.83 0.00 0.00 175.22 177.36 1t61 s ARG 166 N -1.54 0.07 0.35 10.12 1.81 -1.26 -5.02 118.95 123.48 1t61 s ARG 166 Ca 0.46 0.27 0.05 0.00 -1.72 0.00 0.00 55.73 54.78 1t61 s ARG 166 Cb -0.33 -0.12 0.66 0.00 -0.45 0.00 0.00 34.95 34.71 1t61 s ARG 166 CO 0.43 -0.12 1.93 0.00 -0.68 0.00 0.00 175.30 176.86 1t61 h ALA 167 N 6.89 1.46 -2.82 2.13 0.00 -1.99 -3.30 119.26 121.63 1t61 h ALA 167 Ca -0.38 -0.15 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 1t61 h ALA 167 Cb 1.15 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.38 1t61 h ALA 167 CO 0.44 0.40 -0.78 0.99 0.00 0.00 0.00 179.25 180.30 1t61 s THR 168 N -5.17 1.22 -2.00 0.00 2.01 -1.26 -4.14 115.64 106.30 1t61 s THR 168 Ca -0.08 -2.71 0.21 0.00 0.31 0.00 0.00 61.69 59.43 1t61 s THR 168 Cb 0.16 -1.84 0.60 0.00 0.01 0.00 0.00 72.50 71.43 1t61 s THR 168 CO 0.76 -1.00 1.73 -0.81 -0.69 0.00 0.00 174.62 174.61 1t61 n PRO 169 N 3.24 0.86 -4.05 4.92 -0.04 -1.25 -4.87 135.00 133.81 1t61 n PRO 169 Ca 0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1t61 n PRO 169 Cb 0.38 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1t61 n PRO 169 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 170 N -2.00 0.58 0.13 0.54 -0.71 -1.26 -0.88 117.98 114.38 1t61 s PHE 170 Ca 0.32 -1.00 0.07 0.00 -1.04 0.00 0.00 56.93 55.28 1t61 s PHE 170 Cb 0.15 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1t61 s PHE 170 CO 0.25 -0.52 -0.17 -1.50 -1.34 0.00 0.00 175.22 171.94 1t61 s ILE 171 N -3.97 1.55 -0.17 -4.49 2.07 0.31 -4.76 121.20 111.74 1t61 s ILE 171 Ca 0.15 -1.73 -0.08 0.00 -1.41 0.00 0.00 60.65 57.59 1t61 s ILE 171 Cb 0.06 -1.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.00 1t61 s ILE 171 CO -0.04 -0.31 0.08 -0.70 -1.91 0.00 0.00 174.94 172.07 1t61 s GLU 172 N -2.52 3.89 -0.16 3.50 2.12 -1.09 -1.99 118.70 122.46 1t61 s GLU 172 Ca 0.10 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.14 1t61 s GLU 172 Cb -0.06 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1t61 s GLU 172 CO 0.04 0.37 -0.16 0.00 -0.54 0.00 0.00 175.26 174.98 1t61 n ASN 174 N 4.24 6.14 0.00 0.00 3.02 0.23 -1.47 115.26 127.42 1t61 n ASN 174 Ca -0.19 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 1t61 n ASN 174 Cb 0.51 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 1t61 n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t61 n GLY 175 N 1.79 0.89 0.30 7.41 0.00 -1.18 -1.72 105.19 112.68 1t61 n GLY 175 Ca 0.49 0.80 0.18 0.00 0.00 0.00 0.00 46.02 47.49 1t61 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t61 h ALA 176 N -0.05 1.14 0.00 4.61 0.00 -1.85 -2.59 119.26 120.51 1t61 h ALA 176 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1t61 h ALA 176 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t61 h ALA 176 CO 0.00 0.04 -0.48 0.00 0.00 0.00 0.00 179.25 178.80 1t61 h ARG 177 N 0.00 0.00 -0.57 0.00 3.08 -1.71 -3.47 114.38 111.71 1t61 h ARG 177 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1t61 h ARG 177 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1t61 h ARG 177 CO 0.00 0.48 -0.13 0.41 -1.07 0.00 0.00 179.97 179.67 1t61 n GLY 178 N 0.04 0.41 3.26 0.04 0.00 -0.98 -4.97 105.19 103.01 1t61 n GLY 178 Ca -0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1t61 n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 179 N -2.25 1.29 0.11 2.61 -4.23 -1.26 -2.35 115.64 109.56 1t61 s THR 179 Ca 0.00 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1t61 s THR 179 Cb 0.00 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1t61 s THR 179 CO 0.00 -0.66 -0.10 0.00 -0.54 0.00 0.00 174.62 173.32 1t61 s HIS 181 N -2.87 -0.19 -0.28 0.00 5.04 0.42 -0.95 115.29 116.45 1t61 s HIS 181 Ca 0.10 -0.03 -0.07 0.00 -1.54 0.00 0.00 55.06 53.51 1t61 s HIS 181 Cb -0.00 0.60 -0.00 0.00 0.04 0.00 0.00 32.58 33.21 1t61 s HIS 181 CO -0.00 -0.68 0.08 0.71 -2.34 0.00 0.00 174.74 172.51 1t61 s TYR 182 N -3.14 3.12 0.15 3.88 1.51 -1.26 -2.67 117.35 118.94 1t61 s TYR 182 Ca 0.10 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1t61 s TYR 182 Cb -0.01 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1t61 s TYR 182 CO -0.02 -0.51 0.19 0.71 -1.11 0.00 0.00 175.55 174.80 1t61 s TYR 183 N 1.54 3.29 0.30 2.71 1.51 -1.26 -5.00 117.35 120.43 1t61 s TYR 183 Ca 0.04 0.05 0.36 0.00 -1.01 0.00 0.00 57.07 56.51 1t61 s TYR 183 Cb -0.16 -1.59 1.89 0.00 -0.11 0.00 0.00 41.96 41.99 1t61 s TYR 183 CO 0.03 0.52 2.09 0.00 -1.11 0.00 0.00 175.55 177.08 1t61 h ALA 184 N 2.40 1.00 -0.21 3.71 0.00 -2.02 -2.66 119.26 121.48 1t61 h ALA 184 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t61 h ALA 184 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t61 h ALA 184 CO 0.66 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.18 1t61 n ASN 185 N -2.79 1.71 -4.71 0.00 6.94 -1.26 -4.89 115.26 110.25 1t61 n ASN 185 Ca -0.02 -1.78 -0.42 0.00 -0.02 0.00 0.00 54.58 52.34 1t61 n ASN 185 Cb 0.09 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.34 1t61 n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1t61 s LYS 186 N -1.72 4.40 -0.00 -3.83 1.02 -1.00 -4.27 119.74 114.33 1t61 s LYS 186 Ca 0.30 1.86 0.04 0.00 0.02 0.00 0.00 55.97 58.19 1t61 s LYS 186 Cb 0.16 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 1t61 s LYS 186 CO 0.24 -0.31 -0.12 0.71 -0.92 0.00 0.00 175.35 174.94 1t61 s TYR 187 N 1.09 1.06 -0.02 3.18 4.12 0.29 -5.00 117.35 122.07 1t61 s TYR 187 Ca 0.60 -0.22 0.06 0.00 0.02 0.00 0.00 57.07 57.54 1t61 s TYR 187 Cb -0.32 -0.68 -0.02 0.00 -1.52 0.00 0.00 41.96 39.42 1t61 s TYR 187 CO 0.29 -0.01 -0.21 -1.54 0.02 0.00 0.00 175.55 174.10 1t61 s SER 188 N -0.39 3.47 -0.03 2.29 1.04 -1.26 -1.82 113.70 117.00 1t61 s SER 188 Ca 0.04 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.17 1t61 s SER 188 Cb -0.05 -0.54 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 1t61 s SER 188 CO -0.00 0.32 -0.26 -0.36 0.98 0.00 0.00 173.24 173.92 1t61 s PHE 189 N -0.69 2.36 0.09 5.02 0.40 0.67 -4.97 117.98 120.86 1t61 s PHE 189 Ca 0.11 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1t61 s PHE 189 Cb -0.10 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1t61 s PHE 189 CO 0.00 -0.10 -0.09 -1.58 0.70 0.00 0.00 175.22 174.15 1t61 s TRP 190 N -0.46 0.96 0.42 0.36 0.52 -1.26 -1.02 118.94 118.46 1t61 s TRP 190 Ca 0.05 -0.70 -0.24 0.00 0.02 0.00 0.00 56.10 55.23 1t61 s TRP 190 Cb -0.11 -0.54 -0.08 0.00 -1.15 0.00 0.00 33.47 31.59 1t61 s TRP 190 CO 0.01 -0.05 1.12 -0.51 0.02 0.00 0.00 176.95 177.54 1t61 s LEU 191 N -2.48 4.12 0.56 2.99 1.43 -0.80 -4.87 118.68 119.62 1t61 s LEU 191 Ca 0.05 2.21 -0.03 0.00 -1.03 0.00 0.00 54.13 55.33 1t61 s LEU 191 Cb -0.02 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.07 1t61 s LEU 191 CO -0.01 -0.68 0.84 0.42 0.23 0.00 0.00 176.35 177.14 1t61 s THR 192 N -1.55 3.42 -0.39 5.49 -4.23 -1.26 -0.69 115.64 116.42 1t61 s THR 192 Ca 0.59 -0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.66 1t61 s THR 192 Cb -0.27 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.25 1t61 s THR 192 CO 0.33 -0.30 0.49 0.42 -0.54 0.00 0.00 174.62 175.02 1t61 s THR 193 N -2.87 5.03 -0.12 3.99 -4.23 -1.16 -4.08 115.64 112.19 1t61 s THR 193 Ca 0.54 -0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.83 1t61 s THR 193 Cb -0.10 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.68 1t61 s THR 193 CO 0.42 -0.35 0.56 -0.63 -0.54 0.00 0.00 174.62 174.08 1t61 s ILE 194 N 2.32 5.12 0.18 2.99 1.01 -0.25 -4.88 121.20 127.68 1t61 s ILE 194 Ca 0.16 1.11 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 1t61 s ILE 194 Cb -0.16 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.50 1t61 s ILE 194 CO 0.14 0.26 1.74 -0.65 0.00 0.00 0.00 174.94 176.44 1t61 h PRO 195 N 6.91 0.94 -7.25 2.79 0.11 -1.96 -3.44 132.00 130.08 1t61 h PRO 195 Ca -0.39 -0.16 -0.52 0.00 0.11 0.00 0.00 66.00 65.03 1t61 h PRO 195 Cb 1.18 -0.15 0.17 0.00 0.11 0.00 0.00 31.00 32.30 1t61 h PRO 195 CO 0.76 0.78 0.29 -1.21 -0.21 0.00 0.00 178.00 178.41 1t61 s GLU 196 N -5.58 1.65 0.12 1.05 8.01 -1.26 -4.95 118.70 117.74 1t61 s GLU 196 Ca -0.13 1.52 -0.11 0.00 0.01 0.00 0.00 54.97 56.26 1t61 s GLU 196 Cb 0.13 -1.80 -0.09 0.00 -4.31 0.00 0.00 34.13 28.06 1t61 s GLU 196 CO 0.80 -2.16 1.38 0.37 0.01 0.00 0.00 175.26 175.66 1t61 h GLN 197 N -1.23 0.81 0.00 1.61 5.75 -2.00 -3.43 115.11 116.62 1t61 h GLN 197 Ca -0.44 -0.57 0.00 0.00 -0.15 0.00 0.00 58.65 57.48 1t61 h GLN 197 Cb 1.27 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.91 1t61 h GLN 197 CO 0.46 1.20 0.00 -1.13 -2.65 0.00 0.00 178.83 176.71 1t61 n SER 198 N -3.97 0.00 -3.63 -0.69 3.41 -1.26 -5.10 113.62 102.37 1t61 n SER 198 Ca -0.05 -0.43 -0.20 0.00 -0.26 0.00 0.00 58.87 57.93 1t61 n SER 198 Cb 0.68 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.46 1t61 n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1t61 s PHE 199 N 0.00 -0.04 -0.49 7.33 5.36 -1.26 -5.09 117.98 123.79 1t61 s PHE 199 Ca 0.00 0.25 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 1t61 s PHE 199 Cb 0.00 -0.43 0.13 0.00 -0.34 0.00 0.00 43.02 42.37 1t61 s PHE 199 CO 0.00 -0.35 0.24 -1.14 -1.46 0.00 0.00 175.22 172.51 1t61 s GLN 200 N 2.23 1.84 0.00 10.12 0.74 -1.26 -4.85 119.66 128.48 1t61 s GLN 200 Ca 0.04 -2.47 0.28 0.00 0.05 0.00 0.00 55.36 53.25 1t61 s GLN 200 Cb -0.13 -3.19 0.98 0.00 1.10 0.00 0.00 33.01 31.77 1t61 s GLN 200 CO -0.07 -1.10 1.72 0.41 -0.55 0.00 0.00 175.29 175.70 1t61 n GLY 201 N 3.28 -1.07 2.55 2.59 0.00 -1.26 -4.59 105.19 106.69 1t61 n GLY 201 Ca 0.05 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1t61 n GLY 201 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t61 s THR 202 N -2.70 -0.01 0.55 2.61 2.01 -1.26 -5.13 115.64 111.70 1t61 s THR 202 Ca 0.21 -1.49 -0.20 0.00 0.31 0.00 0.00 61.69 60.52 1t61 s THR 202 Cb 0.19 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1t61 s THR 202 CO 0.55 -0.87 1.20 -2.84 -0.69 0.00 0.00 174.62 171.97 1t61 s PRO 203 N 1.17 3.24 -0.37 4.92 0.02 -1.26 -5.00 135.00 137.72 1t61 s PRO 203 Ca 0.18 1.83 -0.08 0.00 0.02 0.00 0.00 61.00 62.95 1t61 s PRO 203 Cb -0.20 -2.09 0.05 0.00 0.02 0.00 0.00 34.50 32.27 1t61 s PRO 203 CO -0.00 -0.99 0.16 0.45 -0.33 0.00 0.00 177.00 176.29 1t61 s SER 204 N -1.49 5.47 0.42 2.53 0.15 -1.26 -5.07 113.70 114.45 1t61 s SER 204 Ca 0.73 -1.22 -0.23 0.00 0.70 0.00 0.00 55.95 55.92 1t61 s SER 204 Cb -0.30 -1.92 -0.11 0.00 -1.71 0.00 0.00 66.02 61.98 1t61 s SER 204 CO 0.34 -0.39 0.82 0.00 1.20 0.00 0.00 173.24 175.21 1t61 n ALA 205 N 4.86 -0.53 -3.46 5.45 0.00 -1.26 -5.01 120.51 120.57 1t61 n ALA 205 Ca -0.11 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 1t61 n ALA 205 Cb 0.44 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.87 1t61 n ALA 205 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t61 s ASP 206 N -0.85 -0.56 -0.15 0.00 3.68 -1.26 -5.14 116.67 112.39 1t61 s ASP 206 Ca 0.64 0.60 0.01 0.00 2.13 0.00 0.00 52.55 55.93 1t61 s ASP 206 Cb -0.58 0.52 0.02 0.00 -1.45 0.00 0.00 42.92 41.43 1t61 s ASP 206 CO 0.57 -0.56 -0.18 -0.89 0.13 0.00 0.00 175.17 174.24 1t61 s THR 207 N -1.16 1.83 -0.15 1.71 2.01 -1.26 -5.12 115.64 113.50 1t61 s THR 207 Ca -0.11 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1t61 s THR 207 Cb -0.01 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1t61 s THR 207 CO 0.08 0.50 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.71 1t61 s LEU 208 N 1.20 3.18 0.21 4.42 1.43 -1.26 -5.11 118.68 122.74 1t61 s LEU 208 Ca 0.01 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1t61 s LEU 208 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1t61 s LEU 208 CO -0.08 0.17 0.37 -0.54 0.23 0.00 0.00 176.35 176.49 1t61 s LYS 209 N 0.35 3.48 -0.10 1.70 1.02 -1.26 -4.91 119.74 120.01 1t61 s LYS 209 Ca -0.05 -0.50 -0.39 0.00 0.02 0.00 0.00 55.97 55.06 1t61 s LYS 209 Cb -0.14 -2.87 -0.16 0.00 -0.52 0.00 0.00 37.83 34.13 1t61 s LYS 209 CO 0.03 0.42 1.55 0.00 -0.92 0.00 0.00 175.35 176.43 1t61 n ALA 210 N -0.87 -0.59 0.00 5.17 0.00 -1.26 -1.53 120.51 121.44 1t61 n ALA 210 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1t61 n ALA 210 Cb 0.55 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1t61 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 211 N 3.39 0.97 0.30 0.00 0.00 -1.26 -4.86 105.19 103.72 1t61 n GLY 211 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.31 1t61 n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t61 n LEU 212 N 0.00 2.66 -0.07 0.99 7.99 -0.58 -4.80 117.00 123.19 1t61 n LEU 212 Ca 0.00 -2.67 -0.07 0.00 -0.01 0.00 0.00 56.01 53.26 1t61 n LEU 212 Cb 0.00 -0.32 -0.03 0.00 -0.11 0.00 0.00 43.42 42.95 1t61 n LEU 212 CO 0.00 0.65 -0.23 0.40 -1.51 0.00 0.00 177.39 176.71 1t61 h ILE 213 N 0.63 0.26 -1.11 -0.08 2.04 -1.89 -3.40 117.51 113.96 1t61 h ILE 213 Ca 0.00 -1.27 0.31 0.00 1.00 0.00 0.00 64.86 64.90 1t61 h ILE 213 Cb 0.94 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1t61 h ILE 213 CO 0.05 0.09 0.77 0.03 0.00 0.00 0.00 178.15 179.09 1t61 h ARG 214 N -1.00 0.13 0.00 2.37 3.08 -1.94 0.69 114.38 117.70 1t61 h ARG 214 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1t61 h ARG 214 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1t61 h ARG 214 CO -0.03 0.08 0.00 0.25 -1.07 0.00 0.00 179.97 179.20 1t61 n THR 215 N -4.35 0.01 -0.05 2.04 -2.24 -1.26 -2.85 114.28 105.58 1t61 n THR 215 Ca 0.25 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1t61 n THR 215 Cb 1.10 -0.55 0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1t61 n THR 215 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t61 n HIS 216 N -1.03 0.17 -4.14 4.78 8.25 0.24 -4.81 115.22 118.68 1t61 n HIS 216 Ca 0.21 -0.46 -0.34 0.00 -0.26 0.00 0.00 57.72 56.86 1t61 n HIS 216 Cb 0.11 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 1t61 n HIS 216 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1t61 s ILE 217 N -0.95 4.34 0.40 1.59 -1.09 -1.13 -2.99 121.20 121.37 1t61 s ILE 217 Ca 0.09 -0.19 -0.25 0.00 -2.23 0.00 0.00 60.65 58.07 1t61 s ILE 217 Cb 0.05 -2.94 -0.11 0.00 -1.58 0.00 0.00 42.46 37.87 1t61 s ILE 217 CO 0.06 0.46 1.03 -0.24 -1.23 0.00 0.00 174.94 175.02 1t61 n SER 218 N 3.71 1.37 -4.92 3.58 2.88 0.13 -4.72 113.62 115.65 1t61 n SER 218 Ca -0.17 1.07 -0.22 0.00 -1.33 0.00 0.00 58.87 58.22 1t61 n SER 218 Cb 0.52 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 1t61 n SER 218 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t61 s ARG 219 N -1.94 3.27 0.20 -1.46 1.81 -1.17 -1.28 118.95 118.39 1t61 s ARG 219 Ca 0.62 -0.83 -0.11 0.00 -1.72 0.00 0.00 55.73 53.69 1t61 s ARG 219 Cb -0.58 -2.80 -0.01 0.00 -0.45 0.00 0.00 34.95 31.12 1t61 s ARG 219 CO 0.58 0.43 0.37 0.00 -0.68 0.00 0.00 175.30 176.00 1t61 s GLN 221 N -4.00 0.09 -0.19 0.00 0.74 -0.70 -1.23 119.66 114.38 1t61 s GLN 221 Ca 0.20 0.13 -0.11 0.00 0.05 0.00 0.00 55.36 55.63 1t61 s GLN 221 Cb 0.02 0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 1t61 s GLN 221 CO 0.04 -0.03 0.17 0.08 -0.55 0.00 0.00 175.29 175.00 1t61 s VAL 222 N 0.15 5.39 0.13 1.34 1.01 0.24 -1.33 120.40 127.32 1t61 s VAL 222 Ca -0.01 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1t61 s VAL 222 Cb -0.02 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1t61 s VAL 222 CO -0.00 0.43 -0.14 0.00 0.00 0.00 0.00 175.10 175.38 1t61 s MET 224 N -2.74 0.15 0.39 0.00 -2.45 -0.36 -0.74 119.30 113.54 1t61 s MET 224 Ca 0.10 0.05 -0.27 0.00 -1.25 0.00 0.00 55.69 54.32 1t61 s MET 224 Cb -0.05 -0.28 -0.10 0.00 1.25 0.00 0.00 34.83 35.65 1t61 s MET 224 CO 0.03 -0.08 1.42 0.21 1.05 0.00 0.00 175.02 177.65 1t61 s LYS 225 N 0.63 4.06 0.00 4.11 2.20 -1.26 -0.75 119.74 128.72 1t61 s LYS 225 Ca -0.06 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1t61 s LYS 225 Cb -0.09 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1t61 s LYS 225 CO -0.01 -0.52 0.00 0.09 -0.36 0.00 0.00 175.35 174.55