#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8t s VAL 2 N 0.00 4.97 -0.02 1.61 1.01 -1.26 -4.36 120.40 122.35 1f8t s VAL 2 Ca 0.00 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 1f8t s VAL 2 Cb 0.00 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1f8t s VAL 2 CO 0.00 0.57 0.02 -1.58 0.00 0.00 0.00 175.10 174.11 1f8t s GLN 3 N -1.03 -0.03 -0.09 2.72 0.74 0.09 -5.01 119.66 117.04 1f8t s GLN 3 Ca 0.25 0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.83 1f8t s GLN 3 Cb -0.17 -0.19 -0.01 0.00 1.10 0.00 0.00 33.01 33.73 1f8t s GLN 3 CO 0.15 -0.13 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.07 1f8t s LEU 4 N 0.85 2.50 -0.06 3.68 1.02 -1.26 -1.33 118.68 124.07 1f8t s LEU 4 Ca -0.07 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 1f8t s LEU 4 Cb -0.10 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.61 1f8t s LEU 4 CO -0.02 0.22 -0.00 -1.58 0.02 0.00 0.00 176.35 174.98 1f8t s GLN 5 N 0.03 0.54 0.27 1.70 2.00 -0.84 -3.99 119.66 119.37 1f8t s GLN 5 Ca -0.06 0.10 -0.18 0.00 -2.00 0.00 0.00 55.36 53.22 1f8t s GLN 5 Cb -0.15 -0.84 -0.09 0.00 0.80 0.00 0.00 33.01 32.73 1f8t s GLN 5 CO 0.05 -0.25 0.74 -1.21 -0.50 0.00 0.00 175.29 174.12 1f8t s GLU 6 N 1.70 4.15 -0.03 1.67 8.01 -1.26 -1.38 118.70 131.56 1f8t s GLU 6 Ca 0.01 0.79 -0.14 0.00 0.01 0.00 0.00 54.97 55.64 1f8t s GLU 6 Cb -0.13 -2.67 0.02 0.00 -4.31 0.00 0.00 34.13 27.05 1f8t s GLU 6 CO -0.04 0.28 0.31 -1.54 0.01 0.00 0.00 175.26 174.28 1f8t s SER 7 N -1.94 -0.21 0.00 -0.19 1.04 -0.23 -4.91 113.70 107.27 1f8t s SER 7 Ca 0.48 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1f8t s SER 7 Cb -0.14 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1f8t s SER 7 CO 0.19 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1f8t n GLY 8 N 1.49 -0.40 3.77 7.32 0.00 -1.26 -0.72 105.19 115.40 1f8t n GLY 8 Ca -0.20 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 1f8t n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1f8t s PRO 9 N -1.97 4.03 0.09 1.61 0.02 -1.26 -4.93 135.00 132.58 1f8t s PRO 9 Ca 0.00 2.33 0.23 0.00 0.02 0.00 0.00 61.00 63.58 1f8t s PRO 9 Cb 0.00 -2.86 0.13 0.00 0.02 0.00 0.00 34.50 31.79 1f8t s PRO 9 CO 0.00 -0.51 1.11 0.41 -0.33 0.00 0.00 177.00 177.68 1f8t n GLY 10 N 0.62 -1.30 2.89 0.52 0.00 -1.26 -4.75 105.19 101.91 1f8t n GLY 10 Ca 0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1f8t n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f8t s LEU 11 N -4.21 1.37 -0.01 0.99 2.96 -1.26 -1.40 118.68 117.12 1f8t s LEU 11 Ca 0.04 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1f8t s LEU 11 Cb 0.13 -0.38 -0.00 0.00 0.50 0.00 0.00 46.19 46.44 1f8t s LEU 11 CO 0.78 -0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.99 1f8t s VAL 12 N 0.82 0.63 0.25 1.68 1.01 -0.33 -4.97 120.40 119.48 1f8t s VAL 12 Ca -0.10 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1f8t s VAL 12 Cb -0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1f8t s VAL 12 CO -0.00 0.19 0.89 -0.54 0.00 0.00 0.00 175.10 175.64 1f8t s LYS 13 N -0.05 4.66 0.54 2.72 -0.14 -1.26 -1.72 119.74 124.49 1f8t s LYS 13 Ca 0.01 1.32 -0.21 0.00 -1.36 0.00 0.00 55.97 55.73 1f8t s LYS 13 Cb -0.05 -3.09 -0.06 0.00 -1.68 0.00 0.00 37.83 32.95 1f8t s LYS 13 CO -0.00 0.45 1.12 -0.35 -0.76 0.00 0.00 175.35 175.80 1f8t n PRO 14 N 1.16 1.29 0.00 -1.68 -0.04 -1.26 -2.19 135.00 132.27 1f8t n PRO 14 Ca -0.02 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1f8t n PRO 14 Cb 0.49 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1f8t n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f8t n SER 15 N -0.56 0.00 -4.37 3.54 3.41 0.14 -4.94 113.62 110.83 1f8t n SER 15 Ca 0.11 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.44 1f8t n SER 15 Cb 0.44 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.55 1f8t n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1f8t s GLN 16 N -0.03 1.09 -0.14 4.33 -1.52 -0.93 -3.91 119.66 118.56 1f8t s GLN 16 Ca 0.00 -0.50 -0.07 0.00 -1.95 0.00 0.00 55.36 52.84 1f8t s GLN 16 Cb 0.00 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 1f8t s GLN 16 CO 0.00 -2.05 0.12 -1.12 -0.25 0.00 0.00 175.29 171.99 1f8t s SER 17 N -4.80 6.19 -0.14 5.90 0.01 -1.26 -2.17 113.70 117.43 1f8t s SER 17 Ca 0.70 0.37 -0.10 0.00 1.31 0.00 0.00 55.95 58.23 1f8t s SER 17 Cb -0.05 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 1f8t s SER 17 CO 0.50 0.35 0.19 -0.22 0.41 0.00 0.00 173.24 174.46 1f8t s LEU 18 N -0.65 4.33 -0.08 2.44 2.96 0.19 -4.95 118.68 122.92 1f8t s LEU 18 Ca 0.13 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1f8t s LEU 18 Cb -0.12 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.42 1f8t s LEU 18 CO 0.02 0.29 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.86 1f8t s SER 19 N -0.43 1.73 0.14 3.68 0.01 -1.26 -1.23 113.70 116.33 1f8t s SER 19 Ca 0.14 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.29 1f8t s SER 19 Cb -0.12 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1f8t s SER 19 CO 0.03 -0.12 -0.20 -0.76 0.41 0.00 0.00 173.24 172.60 1f8t s LEU 20 N 1.55 2.37 -0.01 2.44 1.43 -0.45 -4.31 118.68 121.70 1f8t s LEU 20 Ca 0.00 -0.78 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1f8t s LEU 20 Cb -0.13 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1f8t s LEU 20 CO -0.05 0.02 -0.23 -0.89 0.23 0.00 0.00 176.35 175.44 1f8t s THR 21 N -1.58 1.79 -0.22 5.49 2.01 0.11 -1.53 115.64 121.71 1f8t s THR 21 Ca 0.12 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1f8t s THR 21 Cb -0.08 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 70.98 1f8t s THR 21 CO 0.06 0.48 -0.15 0.00 -0.69 0.00 0.00 174.62 174.31 1f8t s THR 23 N 1.22 5.27 -0.18 0.00 2.01 -0.48 -2.30 115.64 121.19 1f8t s THR 23 Ca -0.02 0.35 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 1f8t s THR 23 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1f8t s THR 23 CO -0.09 0.25 0.04 -0.69 -0.69 0.00 0.00 174.62 173.44 1f8t s VAL 24 N 1.59 4.56 -0.01 3.82 1.01 -0.93 -1.99 120.40 128.45 1f8t s VAL 24 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1f8t s VAL 24 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1f8t s VAL 24 CO 0.09 0.46 -0.17 0.42 0.00 0.00 0.00 175.10 175.90 1f8t s THR 25 N 0.48 1.31 0.00 3.92 -4.23 -0.44 -4.77 115.64 111.90 1f8t s THR 25 Ca 0.02 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1f8t s THR 25 Cb -0.13 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1f8t s THR 25 CO 0.01 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1f8t n GLY 26 N 2.64 0.17 3.59 3.99 0.00 -1.26 -0.73 105.19 113.58 1f8t n GLY 26 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1f8t n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f8t s TYR 27 N -2.00 -0.67 0.06 1.61 5.04 -1.26 -4.71 117.35 115.42 1f8t s TYR 27 Ca 0.00 1.43 -0.26 0.00 -2.44 0.00 0.00 57.07 55.80 1f8t s TYR 27 Cb 0.00 0.35 -0.05 0.00 0.35 0.00 0.00 41.96 42.60 1f8t s TYR 27 CO 0.00 -0.45 0.81 0.45 -1.34 0.00 0.00 175.55 175.03 1f8t s SER 28 N -0.35 7.28 0.00 4.32 0.15 -1.26 -4.95 113.70 118.89 1f8t s SER 28 Ca -0.04 1.53 0.24 0.00 0.70 0.00 0.00 55.95 58.38 1f8t s SER 28 Cb -0.03 -2.50 1.21 0.00 -1.71 0.00 0.00 66.02 63.00 1f8t s SER 28 CO 0.04 -0.01 1.79 2.30 1.20 0.00 0.00 173.24 178.56 1f8t n ILE 29 N 2.83 0.24 0.98 6.45 -5.35 -1.26 -2.53 119.36 120.71 1f8t n ILE 29 Ca -0.01 0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 1f8t n ILE 29 Cb 0.50 -0.66 0.10 0.00 -1.74 0.00 0.00 39.64 37.83 1f8t n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1f8t n THR 30 N -1.29 0.00 -0.02 7.28 -2.24 -1.26 -4.13 114.28 112.62 1f8t n THR 30 Ca 0.11 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.21 1f8t n THR 30 Cb 0.19 1.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.77 1f8t n THR 30 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1f8t h SER 31 N 4.58 0.22 -5.47 3.42 0.02 -1.76 -3.44 113.55 111.11 1f8t h SER 31 Ca 0.00 -0.87 0.21 0.00 -0.84 0.00 0.00 61.79 60.29 1f8t h SER 31 Cb 0.98 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.38 1f8t h SER 31 CO 0.00 1.34 0.61 -0.62 -1.14 0.00 0.00 176.83 177.02 1f8t s ASP 32 N -6.73 -0.07 0.19 3.07 -1.08 -1.26 -5.01 116.67 105.77 1f8t s ASP 32 Ca -0.19 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 1f8t s ASP 32 Cb 0.01 0.42 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 1f8t s ASP 32 CO 0.73 -0.80 0.00 -1.22 0.52 0.00 0.00 175.17 174.40 1f8t n TYR 33 N -0.59 -1.47 -4.24 -5.34 4.01 -1.26 -4.53 117.16 103.74 1f8t n TYR 33 Ca -0.05 0.77 -0.35 0.00 -0.16 0.00 0.00 57.90 58.11 1f8t n TYR 33 Cb 0.60 -1.34 -0.09 0.00 -0.31 0.00 0.00 39.34 38.21 1f8t n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f8t s ALA 34 N -2.43 3.42 -0.32 -0.72 0.00 -1.20 -1.56 121.76 118.95 1f8t s ALA 34 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1f8t s ALA 34 Cb 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 23.12 21.54 1f8t s ALA 34 CO 0.00 0.55 0.06 -1.58 0.00 0.00 0.00 175.76 174.79 1f8t s TRP 35 N -0.78 3.27 0.33 0.00 0.52 -0.38 -3.29 118.94 118.61 1f8t s TRP 35 Ca 0.12 -1.67 0.07 0.00 0.02 0.00 0.00 56.10 54.64 1f8t s TRP 35 Cb -0.12 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 1f8t s TRP 35 CO 0.02 -0.77 0.40 -0.80 0.02 0.00 0.00 176.95 175.83 1f8t s ASN 35 N 1.35 5.79 -0.10 2.95 0.01 0.10 -1.87 114.94 123.17 1f8t s ASN 35 Ca -0.03 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 1f8t s ASN 35 Cb -0.20 -1.21 0.02 0.00 0.41 0.00 0.00 41.25 40.27 1f8t s ASN 35 CO 0.01 -0.37 -0.12 0.26 -1.51 0.00 0.00 177.10 175.37 1f8t s TRP 36 N -2.20 1.69 -0.00 2.20 0.52 -0.56 -1.64 118.94 118.95 1f8t s TRP 36 Ca 0.43 -0.78 0.02 0.00 0.02 0.00 0.00 56.10 55.79 1f8t s TRP 36 Cb -0.08 -1.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.95 1f8t s TRP 36 CO 0.29 -0.45 -0.08 0.42 0.02 0.00 0.00 176.95 177.16 1f8t s ILE 37 N 1.16 0.60 0.12 2.03 1.01 0.24 -1.08 121.20 125.28 1f8t s ILE 37 Ca -0.04 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1f8t s ILE 37 Cb -0.14 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1f8t s ILE 37 CO -0.03 0.13 -0.22 0.00 0.00 0.00 0.00 174.94 174.81 1f8t s ARG 38 N -0.29 1.22 -0.14 2.79 1.70 -0.58 0.37 118.95 124.02 1f8t s ARG 38 Ca 0.02 -1.24 0.02 0.00 -0.47 0.00 0.00 55.73 54.06 1f8t s ARG 38 Cb -0.03 -1.52 0.01 0.00 -0.57 0.00 0.00 34.95 32.83 1f8t s ARG 38 CO -0.00 0.35 -0.21 -1.14 -1.08 0.00 0.00 175.30 173.22 1f8t s GLN 39 N -2.05 2.87 0.33 3.89 0.74 0.63 -0.95 119.66 125.12 1f8t s GLN 39 Ca 0.10 -0.80 -0.08 0.00 0.05 0.00 0.00 55.36 54.63 1f8t s GLN 39 Cb -0.10 -2.36 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 1f8t s GLN 39 CO 0.05 -0.05 0.64 -0.06 -0.55 0.00 0.00 175.29 175.32 1f8t s PHE 40 N 0.91 3.46 0.16 1.67 0.08 0.49 -1.25 117.98 123.49 1f8t s PHE 40 Ca -0.05 0.85 -0.33 0.00 0.12 0.00 0.00 56.93 57.52 1f8t s PHE 40 Cb -0.15 -2.27 -0.13 0.00 -0.57 0.00 0.00 43.02 39.90 1f8t s PHE 40 CO -0.03 0.08 1.70 -2.30 -0.10 0.00 0.00 175.22 174.56 1f8t n PRO 41 N -0.93 2.50 0.00 0.24 -0.02 -1.26 -2.08 135.00 133.44 1f8t n PRO 41 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1f8t n PRO 41 Cb 0.54 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1f8t n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f8t n GLY 42 N 3.83 1.06 2.52 -1.23 0.00 -1.26 -4.67 105.19 105.43 1f8t n GLY 42 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1f8t n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f8t n ASN 43 N 0.00 0.00 -4.71 1.61 3.02 -0.89 -5.02 115.26 109.27 1f8t n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1f8t n ASN 43 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1f8t n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1f8t s LYS 44 N -0.20 4.17 -0.05 3.52 1.02 -1.22 -4.79 119.74 122.19 1f8t s LYS 44 Ca 0.00 2.49 -0.00 0.00 0.02 0.00 0.00 55.97 58.48 1f8t s LYS 44 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1f8t s LYS 44 CO 0.00 -0.72 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.19 1f8t s LEU 45 N 1.63 3.50 -0.03 3.17 1.43 -1.26 -0.38 118.68 126.74 1f8t s LEU 45 Ca 0.74 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1f8t s LEU 45 Cb -0.46 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 43.90 1f8t s LEU 45 CO 0.33 0.33 0.04 -0.70 0.23 0.00 0.00 176.35 176.57 1f8t s GLU 46 N -1.17 0.05 -0.06 1.70 2.12 -0.12 -5.01 118.70 116.21 1f8t s GLU 46 Ca 0.16 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 1f8t s GLU 46 Cb -0.11 -0.46 -0.02 0.00 0.26 0.00 0.00 34.13 33.80 1f8t s GLU 46 CO 0.06 -0.24 1.02 -0.46 -0.54 0.00 0.00 175.26 175.09 1f8t s TRP 47 N 1.61 3.54 -0.22 5.30 -0.00 -1.26 -1.53 118.94 126.38 1f8t s TRP 47 Ca -0.02 1.59 -0.13 0.00 -0.00 0.00 0.00 56.10 57.55 1f8t s TRP 47 Cb -0.13 -3.19 -0.18 0.00 -0.00 0.00 0.00 33.47 29.97 1f8t s TRP 47 CO -0.03 -0.27 0.02 -1.33 -0.00 0.00 0.00 176.95 175.33 1f8t n MET 48 N 4.58 0.63 0.00 5.86 2.81 -0.24 -4.63 117.12 126.13 1f8t n MET 48 Ca 0.08 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1f8t n MET 48 Cb 0.49 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1f8t n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f8t n GLY 49 N 1.63 -0.87 3.53 3.03 0.00 -1.18 -0.84 105.19 110.48 1f8t n GLY 49 Ca -0.41 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1f8t n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f8t s TYR 50 N -2.00 0.38 -0.05 1.61 -0.85 -0.17 -1.50 117.35 114.77 1f8t s TYR 50 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 55.83 1f8t s TYR 50 Cb 0.00 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.49 1f8t s TYR 50 CO 0.00 -0.93 -0.04 -1.50 -1.52 0.00 0.00 175.55 171.56 1f8t s ILE 51 N -4.01 0.53 0.87 -3.49 2.07 -0.78 -1.70 121.20 114.69 1f8t s ILE 51 Ca 0.22 -0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.24 1f8t s ILE 51 Cb 0.00 -0.58 0.14 0.00 0.13 0.00 0.00 42.46 42.15 1f8t s ILE 51 CO 0.07 0.24 1.23 0.42 -1.91 0.00 0.00 174.94 174.99 1f8t s THR 52 N 1.16 2.02 0.52 4.00 -4.23 0.37 -1.25 115.64 118.25 1f8t s THR 52 Ca -0.07 -0.04 0.29 0.00 -1.18 0.00 0.00 61.69 60.69 1f8t s THR 52 Cb -0.14 -2.98 0.33 0.00 1.34 0.00 0.00 72.50 71.05 1f8t s THR 52 CO -0.01 0.00 2.19 0.10 -0.54 0.00 0.00 174.62 176.35 1f8t h TYR 53 N -1.28 0.00 -0.01 3.99 -0.00 -1.44 -0.77 116.97 117.46 1f8t h TYR 53 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 1f8t h TYR 53 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 1f8t h TYR 53 CO -0.40 0.05 -0.15 -1.13 -0.00 0.00 0.00 178.16 176.52 1f8t n SER 54 N -3.74 0.71 0.00 0.10 3.41 -1.26 -4.42 113.62 108.42 1f8t n SER 54 Ca -0.03 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1f8t n SER 54 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1f8t n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f8t n GLY 55 N 1.29 0.64 3.79 5.00 0.00 -0.30 -5.07 105.19 110.55 1f8t n GLY 55 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1f8t n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f8t s SER 56 N -2.91 7.23 0.28 1.61 1.04 -1.26 -4.74 113.70 114.94 1f8t s SER 56 Ca 0.00 1.73 0.10 0.00 0.48 0.00 0.00 55.95 58.25 1f8t s SER 56 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1f8t s SER 56 CO 0.00 -0.08 -0.01 0.42 0.98 0.00 0.00 173.24 174.55 1f8t s THR 57 N -1.67 3.30 -0.10 2.02 -4.23 -1.26 -0.48 115.64 113.22 1f8t s THR 57 Ca 0.50 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1f8t s THR 57 Cb -0.17 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 70.91 1f8t s THR 57 CO 0.22 -0.36 0.23 -0.83 -0.54 0.00 0.00 174.62 173.34 1f8t s GLY 58 N -3.67 -0.13 0.11 3.99 0.00 -0.69 -4.99 107.32 101.94 1f8t s GLY 58 Ca 0.32 0.90 0.09 0.00 0.00 0.00 0.00 44.72 46.03 1f8t s GLY 58 CO 0.20 1.12 -0.22 -0.19 0.00 0.00 0.00 173.10 174.01 1f8t s TYR 59 N 1.09 1.90 0.09 1.90 2.02 -1.26 -1.00 117.35 122.09 1f8t s TYR 59 Ca -0.08 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 55.90 1f8t s TYR 59 Cb -0.09 -1.03 -0.07 0.00 -0.40 0.00 0.00 41.96 40.36 1f8t s TYR 59 CO -0.07 0.24 1.36 1.21 -1.57 0.00 0.00 175.55 176.72 1f8t s ASN 60 N -1.99 6.87 0.45 2.29 3.84 -0.02 -4.82 114.94 121.56 1f8t s ASN 60 Ca 0.09 2.25 0.25 0.00 0.21 0.00 0.00 52.86 55.66 1f8t s ASN 60 Cb -0.10 -2.58 1.27 0.00 -0.55 0.00 0.00 41.25 39.29 1f8t s ASN 60 CO 0.05 -0.63 1.79 -0.65 -2.79 0.00 0.00 177.10 174.87 1f8t h PRO 61 N 6.91 0.23 0.00 0.43 0.11 -1.95 0.10 132.00 137.84 1f8t h PRO 61 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1f8t h PRO 61 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1f8t h PRO 61 CO 0.86 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.67 1f8t n SER 62 N -4.46 0.17 -0.00 -2.05 3.41 -1.26 -3.76 113.62 105.67 1f8t n SER 62 Ca 0.25 0.54 -0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1f8t n SER 62 Cb 0.99 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1f8t n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f8t n LEU 63 N -1.68 0.85 -0.06 1.04 4.77 0.23 -4.89 117.00 117.26 1f8t n LEU 63 Ca 0.04 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1f8t n LEU 63 Cb 0.21 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1f8t n LEU 63 CO 0.17 0.16 0.16 2.29 -1.33 0.00 0.00 177.39 178.83 1f8t n LYS 64 N -2.16 -0.01 0.27 3.23 2.85 -0.46 -0.18 118.16 121.69 1f8t n LYS 64 Ca -0.01 0.24 0.18 0.00 -1.05 0.00 0.00 58.31 57.67 1f8t n LYS 64 Cb 0.52 -0.41 0.81 0.00 -0.65 0.00 0.00 35.03 35.30 1f8t n LYS 64 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1f8t h SER 65 N 0.00 0.00 0.00 -5.58 4.64 -1.89 -3.23 113.55 107.49 1f8t h SER 65 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1f8t h SER 65 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1f8t h SER 65 CO -0.14 0.00 -0.12 -2.11 -0.87 0.00 0.00 176.83 173.58 1f8t n ARG 66 N -2.94 0.94 -4.72 4.77 1.85 0.74 -5.04 116.66 112.27 1f8t n ARG 66 Ca -0.00 -1.22 -0.32 0.00 -1.00 0.00 0.00 57.85 55.31 1f8t n ARG 66 Cb 0.21 -0.79 -0.13 0.00 -1.05 0.00 0.00 32.46 30.70 1f8t n ARG 66 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1f8t s ILE 67 N -0.74 2.99 -0.07 8.89 2.07 -1.16 -0.95 121.20 132.24 1f8t s ILE 67 Ca 0.06 -0.97 -0.06 0.00 -1.41 0.00 0.00 60.65 58.26 1f8t s ILE 67 Cb 0.05 -2.23 0.02 0.00 0.13 0.00 0.00 42.46 40.42 1f8t s ILE 67 CO 0.01 0.43 0.17 -0.55 -1.91 0.00 0.00 174.94 173.09 1f8t s SER 68 N -1.19 -0.18 -0.08 4.50 0.15 -0.40 -4.87 113.70 111.64 1f8t s SER 68 Ca 0.14 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.15 1f8t s SER 68 Cb -0.11 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1f8t s SER 68 CO 0.04 -0.07 -0.08 -0.63 1.20 0.00 0.00 173.24 173.70 1f8t s ILE 69 N 0.18 0.92 0.40 6.45 1.01 -1.26 -0.87 121.20 128.03 1f8t s ILE 69 Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1f8t s ILE 69 Cb -0.02 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1f8t s ILE 69 CO -0.00 0.32 0.16 0.42 0.00 0.00 0.00 174.94 175.84 1f8t s THR 70 N 1.13 0.46 0.21 2.92 -4.23 -1.14 -4.96 115.64 110.02 1f8t s THR 70 Ca -0.06 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.36 1f8t s THR 70 Cb -0.14 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 1f8t s THR 70 CO -0.01 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.39 1f8t s ARG 71 N -3.64 1.32 -0.31 3.99 1.70 -1.26 0.29 118.95 121.03 1f8t s ARG 71 Ca 0.26 -1.31 -0.02 0.00 -0.47 0.00 0.00 55.73 54.19 1f8t s ARG 71 Cb 0.02 0.39 0.11 0.00 -0.57 0.00 0.00 34.95 34.89 1f8t s ARG 71 CO 0.17 -0.50 0.13 0.34 -1.08 0.00 0.00 175.30 174.36 1f8t s ASP 72 N -3.03 3.72 0.34 -2.89 -1.08 0.63 -4.97 116.67 109.39 1f8t s ASP 72 Ca 0.24 -1.62 0.26 0.00 -0.52 0.00 0.00 52.55 50.91 1f8t s ASP 72 Cb 0.03 -0.64 1.19 0.00 -1.46 0.00 0.00 42.92 42.04 1f8t s ASP 72 CO 0.06 -0.41 1.78 0.71 0.52 0.00 0.00 175.17 177.83 1f8t h THR 73 N 6.24 0.00 0.00 1.71 1.35 -1.97 -0.07 112.91 120.18 1f8t h THR 73 Ca -0.13 -0.18 -0.22 0.00 -0.55 0.00 0.00 66.41 65.32 1f8t h THR 73 Cb 1.00 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.28 1f8t h THR 73 CO 0.44 0.00 -1.24 0.77 -0.25 0.00 0.00 175.52 175.25 1f8t h SER 74 N 0.00 0.00 -0.01 5.36 4.64 -1.95 -3.32 113.55 118.28 1f8t h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f8t h SER 74 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1f8t h SER 74 CO 0.00 0.91 -0.76 0.29 -0.87 0.00 0.00 176.83 176.41 1f8t n LYS 75 N -3.19 0.70 -3.19 4.77 5.02 -1.01 -4.99 118.16 116.27 1f8t n LYS 75 Ca -0.07 -0.40 -0.14 0.00 -2.02 0.00 0.00 58.31 55.69 1f8t n LYS 75 Cb 0.95 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 34.58 1f8t n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1f8t n ASN 76 N -0.89 -3.24 -4.07 4.39 5.15 -0.08 -4.81 115.26 111.71 1f8t n ASN 76 Ca 0.06 -0.57 -0.14 0.00 -0.60 0.00 0.00 54.58 53.34 1f8t n ASN 76 Cb 0.37 -4.58 -0.12 0.00 -0.53 0.00 0.00 39.78 34.93 1f8t n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1f8t s GLN 77 N -4.90 0.55 0.05 1.20 -0.21 -0.95 -2.18 119.66 113.22 1f8t s GLN 77 Ca 0.12 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.79 1f8t s GLN 77 Cb -0.02 -0.34 -0.02 0.00 1.00 0.00 0.00 33.01 33.63 1f8t s GLN 77 CO 0.64 0.06 -0.13 -0.59 -2.12 0.00 0.00 175.29 173.15 1f8t s PHE 78 N -1.33 1.16 0.33 0.91 -0.71 -0.97 -0.27 117.98 117.10 1f8t s PHE 78 Ca -0.09 -0.40 0.10 0.00 -1.04 0.00 0.00 56.93 55.50 1f8t s PHE 78 Cb -0.10 -0.68 -0.06 0.00 -1.21 0.00 0.00 43.02 40.98 1f8t s PHE 78 CO 0.01 0.04 -0.08 -0.06 -1.34 0.00 0.00 175.22 173.78 1f8t s PHE 79 N -1.04 2.43 -0.05 3.49 0.08 0.14 -1.39 117.98 121.64 1f8t s PHE 79 Ca -0.01 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.61 1f8t s PHE 79 Cb -0.09 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 1f8t s PHE 79 CO 0.02 0.58 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.41 1f8t s LEU 80 N -3.62 1.76 -0.10 -0.37 2.96 -0.58 -2.90 118.68 115.83 1f8t s LEU 80 Ca 0.33 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1f8t s LEU 80 Cb 0.01 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.91 1f8t s LEU 80 CO 0.17 0.08 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.63 1f8t s GLN 81 N 0.38 1.33 -0.20 1.98 0.74 -0.05 -1.34 119.66 122.49 1f8t s GLN 81 Ca -0.09 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.15 1f8t s GLN 81 Cb -0.13 -1.44 0.03 0.00 1.10 0.00 0.00 33.01 32.57 1f8t s GLN 81 CO 0.03 -0.26 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.18 1f8t s LEU 82 N 1.70 2.50 0.47 3.68 2.96 -0.36 -1.27 118.68 128.35 1f8t s LEU 82 Ca 0.04 -0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 53.04 1f8t s LEU 82 Cb -0.13 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1f8t s LEU 82 CO -0.07 -0.08 0.73 0.20 -1.32 0.00 0.00 176.35 175.81 1f8t s ASN 82 N 1.26 5.97 -1.31 3.68 0.01 -0.13 -0.64 114.94 123.78 1f8t s ASN 82 Ca 0.00 0.57 -0.12 0.00 -0.71 0.00 0.00 52.86 52.61 1f8t s ASN 82 Cb -0.15 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1f8t s ASN 82 CO -0.10 -0.68 0.52 -1.20 -1.51 0.00 0.00 177.10 174.13 1f8t n SER 82 N -2.19 -2.23 -4.78 -1.22 7.64 -1.17 -4.91 113.62 104.78 1f8t n SER 82 Ca 0.01 -1.09 -0.36 0.00 1.01 0.00 0.00 58.87 58.43 1f8t n SER 82 Cb 0.57 -2.76 -0.03 0.00 -1.01 0.00 0.00 64.21 60.97 1f8t n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1f8t s VAL 82 N -3.80 3.57 0.47 0.44 -7.23 -0.92 -4.68 120.40 108.25 1f8t s VAL 82 Ca 0.22 1.18 0.02 0.00 -1.81 0.00 0.00 61.98 61.60 1f8t s VAL 82 Cb -0.09 -3.60 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1f8t s VAL 82 CO 0.91 -0.01 0.07 0.42 -0.31 0.00 0.00 175.10 176.18 1f8t s THR 83 N -1.65 0.83 0.66 5.32 -4.23 -1.26 0.27 115.64 115.58 1f8t s THR 83 Ca 0.60 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.51 1f8t s THR 83 Cb -0.23 -2.22 0.41 0.00 1.34 0.00 0.00 72.50 71.80 1f8t s THR 83 CO 0.29 0.00 2.27 0.71 -0.54 0.00 0.00 174.62 177.35 1f8t h THR 84 N 1.54 0.04 0.00 3.99 1.35 -1.97 -0.57 112.91 117.29 1f8t h THR 84 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1f8t h THR 84 Cb 1.30 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1f8t h THR 84 CO 0.64 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.29 1f8t n GLU 85 N -3.10 0.32 -0.07 4.72 1.02 -1.26 -2.72 120.64 119.55 1f8t n GLU 85 Ca -0.03 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1f8t n GLU 85 Cb 0.15 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.32 1f8t n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1f8t n ASP 86 N -1.30 2.68 -4.66 1.62 8.00 -0.22 -4.90 116.55 117.77 1f8t n ASP 86 Ca 0.11 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 1f8t n ASP 86 Cb 0.20 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1f8t n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1f8t s THR 87 N -1.81 3.57 0.03 -3.53 2.01 -1.10 -4.87 115.64 109.94 1f8t s THR 87 Ca 0.34 0.72 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 1f8t s THR 87 Cb 0.21 -3.46 0.09 0.00 0.01 0.00 0.00 72.50 69.35 1f8t s THR 87 CO 0.30 -0.06 1.23 0.00 -0.69 0.00 0.00 174.62 175.41 1f8t s ALA 88 N 3.93 -2.27 -0.22 7.40 0.00 -0.61 -4.68 121.76 125.31 1f8t s ALA 88 Ca 0.73 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 1f8t s ALA 88 Cb -0.33 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1f8t s ALA 88 CO 0.29 -1.13 0.31 0.99 0.00 0.00 0.00 175.76 176.23 1f8t s THR 89 N -2.07 5.25 -0.21 0.00 2.01 -0.38 -1.02 115.64 119.22 1f8t s THR 89 Ca 0.27 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 62.70 1f8t s THR 89 Cb -0.01 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1f8t s THR 89 CO 0.01 0.28 0.09 -0.31 -0.69 0.00 0.00 174.62 174.00 1f8t s TYR 90 N 1.28 3.26 0.07 4.92 1.51 0.94 -0.27 117.35 129.06 1f8t s TYR 90 Ca 0.15 0.07 0.09 0.00 -1.01 0.00 0.00 57.07 56.37 1f8t s TYR 90 Cb -0.14 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 1f8t s TYR 90 CO 0.07 0.07 -0.25 0.71 -1.11 0.00 0.00 175.55 175.05 1f8t s TYR 91 N 0.71 2.37 -0.03 2.71 2.02 0.16 -0.89 117.35 124.40 1f8t s TYR 91 Ca 0.05 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1f8t s TYR 91 Cb -0.13 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1f8t s TYR 91 CO 0.02 0.23 -0.14 0.00 -1.57 0.00 0.00 175.55 174.09 1f8t s ALA 93 N -0.80 -0.29 -0.03 0.00 0.00 -0.65 -0.47 121.76 119.52 1f8t s ALA 93 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1f8t s ALA 93 Cb -0.11 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.39 1f8t s ALA 93 CO 0.02 -0.42 -0.04 0.45 0.00 0.00 0.00 175.76 175.77 1f8t s SER 94 N -2.41 0.82 0.10 0.00 0.15 -0.23 0.00 113.70 112.15 1f8t s SER 94 Ca -0.01 -0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 1f8t s SER 94 Cb 0.01 -0.34 0.09 0.00 -1.71 0.00 0.00 66.02 64.07 1f8t s SER 94 CO -0.07 -0.03 1.13 -0.72 1.20 0.00 0.00 173.24 174.76 1f8t s TYR 95 N 0.66 0.03 0.00 3.44 -0.85 -1.21 -1.41 117.35 118.01 1f8t s TYR 95 Ca -0.08 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1f8t s TYR 95 Cb -0.12 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.86 1f8t s TYR 95 CO -0.00 -0.66 0.01 -0.40 -1.52 0.00 0.00 175.55 172.98 1f8t n ASP 96 N -1.06 0.03 0.00 -0.18 5.68 -1.26 -3.21 116.55 116.55 1f8t n ASP 96 Ca -0.02 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1f8t n ASP 96 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1f8t n ASP 96 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1f8t n ASP 97 N -0.00 0.00 0.00 -1.12 8.00 -1.26 -4.70 116.55 117.47 1f8t n ASP 97 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1f8t n ASP 97 Cb 0.21 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1f8t n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f8t n TYR 98 N -1.94 0.00 -4.61 1.24 4.11 -1.26 -5.07 117.16 109.62 1f8t n TYR 98 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.61 1f8t n TYR 98 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.25 1f8t n TYR 98 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1f8t s THR 99 N -0.16 1.71 -0.80 -3.48 2.01 -1.26 -5.04 115.64 108.62 1f8t s THR 99 Ca 0.00 -1.96 0.26 0.00 0.31 0.00 0.00 61.69 60.30 1f8t s THR 99 Cb 0.00 -2.67 0.27 0.00 0.01 0.00 0.00 72.50 70.10 1f8t s THR 99 CO 0.00 0.00 1.81 -2.67 -0.69 0.00 0.00 174.62 173.07 1f8t n TRP 100 N -1.12 0.62 -2.23 4.92 4.27 -1.26 -4.81 117.44 117.83 1f8t n TRP 100 Ca -0.10 0.19 -0.43 0.00 -3.89 0.00 0.00 57.50 53.27 1f8t n TRP 100 Cb 0.67 -0.80 -0.02 0.00 -1.36 0.00 0.00 31.31 29.79 1f8t n TRP 100 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1f8t s PHE 100 N -3.08 2.24 -0.20 -2.67 2.19 -1.26 -4.96 117.98 110.23 1f8t s PHE 100 Ca 0.11 0.66 -0.09 0.00 0.33 0.00 0.00 56.93 57.95 1f8t s PHE 100 Cb 0.14 -4.16 0.08 0.00 -1.31 0.00 0.00 43.02 37.77 1f8t s PHE 100 CO 0.55 -2.35 0.46 -0.08 1.83 0.00 0.00 175.22 175.63 1f8t s THR 101 N 5.59 -0.41 -0.06 0.12 -1.32 -1.26 -4.04 115.64 114.27 1f8t s THR 101 Ca 0.67 0.12 -0.04 0.00 -1.21 0.00 0.00 61.69 61.22 1f8t s THR 101 Cb -0.18 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 70.13 1f8t s THR 101 CO 0.31 0.05 0.14 -0.31 -2.21 0.00 0.00 174.62 172.60 1f8t s TYR 102 N 2.15 -0.16 0.12 9.09 2.02 -0.50 -5.02 117.35 125.05 1f8t s TYR 102 Ca -0.05 0.40 0.10 0.00 -0.37 0.00 0.00 57.07 57.15 1f8t s TYR 102 Cb -0.10 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.44 1f8t s TYR 102 CO -0.14 -0.10 -0.26 -1.58 -1.57 0.00 0.00 175.55 171.90 1f8t s TRP 103 N 0.37 2.23 0.73 2.71 0.52 -1.26 -1.06 118.94 123.18 1f8t s TRP 103 Ca -0.02 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 1f8t s TRP 103 Cb -0.04 -1.22 0.17 0.00 -1.15 0.00 0.00 33.47 31.23 1f8t s TRP 103 CO -0.02 0.30 0.85 0.41 0.02 0.00 0.00 176.95 178.51 1f8t n GLY 104 N 1.02 -1.88 0.16 0.98 0.00 0.38 -4.63 105.19 101.22 1f8t n GLY 104 Ca -0.18 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.31 1f8t n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1f8t h GLN 105 N 0.00 0.00 0.00 1.61 4.15 -1.89 -3.46 115.11 115.52 1f8t h GLN 105 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1f8t h GLN 105 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1f8t h GLN 105 CO 0.20 0.12 0.00 0.41 -1.93 0.00 0.00 178.83 177.63 1f8t n GLY 106 N 1.18 -0.39 2.89 2.39 0.00 -1.26 -5.05 105.19 104.95 1f8t n GLY 106 Ca 0.01 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 1f8t n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f8t s THR 107 N -2.70 0.27 0.06 2.61 -1.32 -0.07 -4.88 115.64 109.61 1f8t s THR 107 Ca 0.00 -0.06 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 1f8t s THR 107 Cb 0.00 -0.28 -0.05 0.00 -1.51 0.00 0.00 72.50 70.65 1f8t s THR 107 CO 0.00 0.12 0.85 -0.22 -2.21 0.00 0.00 174.62 173.16 1f8t s LEU 108 N 0.40 4.46 -0.12 9.08 2.96 -1.26 -0.04 118.68 134.15 1f8t s LEU 108 Ca -0.04 1.58 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1f8t s LEU 108 Cb -0.07 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.26 1f8t s LEU 108 CO -0.01 -0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.18 1f8t s VAL 109 N 0.08 1.30 -0.14 1.68 1.01 -0.19 -4.51 120.40 119.64 1f8t s VAL 109 Ca 0.43 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1f8t s VAL 109 Cb -0.21 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1f8t s VAL 109 CO 0.26 0.41 -0.08 -0.89 0.00 0.00 0.00 175.10 174.79 1f8t s THR 110 N 1.38 3.51 -0.29 3.92 2.01 -0.50 -1.57 115.64 124.11 1f8t s THR 110 Ca 0.01 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 1f8t s THR 110 Cb -0.13 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1f8t s THR 110 CO -0.06 0.52 0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 1f8t s VAL 111 N 0.23 4.18 0.15 3.82 1.01 -1.26 -1.19 120.40 127.35 1f8t s VAL 111 Ca -0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1f8t s VAL 111 Cb -0.15 -3.11 0.06 0.00 0.00 0.00 0.00 36.38 33.18 1f8t s VAL 111 CO 0.04 0.12 0.77 -0.55 0.00 0.00 0.00 175.10 175.48 1f8t s SER 112 N 1.55 -0.37 0.00 3.32 0.15 -0.70 -4.52 113.70 113.12 1f8t s SER 112 Ca 0.04 -0.22 0.22 0.00 0.70 0.00 0.00 55.95 56.69 1f8t s SER 112 Cb -0.17 0.56 -0.07 0.00 -1.71 0.00 0.00 66.02 64.63 1f8t s SER 112 CO 0.04 -0.96 1.03 0.00 1.20 0.00 0.00 173.24 174.54 1f8t n ALA 113 N -0.38 4.19 -0.98 5.45 0.00 -1.26 -4.12 120.51 123.41 1f8t n ALA 113 Ca -0.10 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.43 1f8t n ALA 113 Cb 0.62 -0.81 0.13 0.00 0.00 0.00 0.00 19.45 19.39 1f8t n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f8t s ALA 114 N -2.79 1.78 0.12 0.00 0.00 -1.26 -5.01 121.76 114.61 1f8t s ALA 114 Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1f8t s ALA 114 Cb 0.17 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1f8t s ALA 114 CO 0.74 -2.36 0.28 0.21 0.00 0.00 0.00 175.76 174.63 1f8t s LYS 115 N -4.47 3.47 0.20 0.00 2.20 -1.26 -5.05 119.74 114.83 1f8t s LYS 115 Ca 0.68 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 55.52 1f8t s LYS 115 Cb -0.24 -2.97 -0.10 0.00 -1.51 0.00 0.00 37.83 33.01 1f8t s LYS 115 CO 0.54 0.53 1.56 0.99 -0.36 0.00 0.00 175.35 178.61 1f8t s THR 116 N -1.67 2.52 -0.05 3.43 2.01 -1.26 -4.78 115.64 115.84 1f8t s THR 116 Ca 0.36 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1f8t s THR 116 Cb -0.12 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1f8t s THR 116 CO 0.28 0.04 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.32 1f8t s THR 117 N 0.75 0.55 0.53 -0.82 2.01 0.13 -4.95 115.64 113.85 1f8t s THR 117 Ca 0.67 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 1f8t s THR 117 Cb -0.44 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 1f8t s THR 117 CO 0.36 0.24 1.11 -2.16 -0.69 0.00 0.00 174.62 173.48 1f8t s PRO 118 N 1.13 3.45 0.61 4.92 0.04 -1.26 -1.67 135.00 142.21 1f8t s PRO 118 Ca -0.08 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 1f8t s PRO 118 Cb -0.14 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1f8t s PRO 118 CO -0.01 -0.76 0.99 -1.25 0.04 0.00 0.00 177.00 176.01 1f8t s PRO 119 N -3.30 3.45 -0.15 0.56 0.04 -1.26 -4.44 135.00 129.90 1f8t s PRO 119 Ca 0.71 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 1f8t s PRO 119 Cb -0.22 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1f8t s PRO 119 CO 0.26 -0.58 -0.03 -1.12 0.04 0.00 0.00 177.00 175.56 1f8t s SER 120 N -4.20 4.87 -0.23 6.66 0.01 -0.39 -4.94 113.70 115.48 1f8t s SER 120 Ca 0.54 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.68 1f8t s SER 120 Cb -0.11 -1.73 -0.00 0.00 0.21 0.00 0.00 66.02 64.39 1f8t s SER 120 CO 0.52 0.20 -0.04 -0.69 0.41 0.00 0.00 173.24 173.63 1f8t s VAL 121 N 0.19 3.30 -0.10 3.43 1.01 -1.26 -1.18 120.40 125.79 1f8t s VAL 121 Ca -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1f8t s VAL 121 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1f8t s VAL 121 CO 0.03 0.38 -0.14 -0.36 0.00 0.00 0.00 175.10 175.01 1f8t s PHE 122 N 1.46 2.77 0.25 5.22 0.08 -0.31 -4.96 117.98 122.48 1f8t s PHE 122 Ca 0.05 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 1f8t s PHE 122 Cb -0.15 -1.76 -0.09 0.00 -0.57 0.00 0.00 43.02 40.45 1f8t s PHE 122 CO -0.03 -0.07 1.01 -1.25 -0.10 0.00 0.00 175.22 174.78 1f8t s PRO 123 N -0.05 4.76 -0.36 0.24 0.04 -1.26 -0.92 135.00 137.45 1f8t s PRO 123 Ca -0.03 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 1f8t s PRO 123 Cb -0.14 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.24 1f8t s PRO 123 CO 0.04 0.38 0.12 -0.51 0.04 0.00 0.00 177.00 177.06 1f8t s LEU 124 N -1.26 4.64 0.16 -3.56 1.43 0.86 -4.91 118.68 116.03 1f8t s LEU 124 Ca 0.43 -1.66 0.10 0.00 -1.03 0.00 0.00 54.13 51.97 1f8t s LEU 124 Cb -0.29 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1f8t s LEU 124 CO 0.36 -0.41 -0.21 0.00 0.23 0.00 0.00 176.35 176.32 1f8t s ALA 125 N 1.21 2.60 0.38 4.21 0.00 -1.26 -2.21 121.76 126.68 1f8t s ALA 125 Ca 0.02 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.23 1f8t s ALA 125 Cb -0.21 -0.48 -0.12 0.00 0.00 0.00 0.00 23.12 22.30 1f8t s ALA 125 CO -0.02 0.50 0.82 -2.30 0.00 0.00 0.00 175.76 174.76 1f8t n PRO 126 N 0.50 1.00 0.00 0.00 -0.02 -1.26 -4.97 135.00 130.25 1f8t n PRO 126 Ca -0.14 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1f8t n PRO 126 Cb 0.54 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1f8t n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f8t n GLY 127 N 1.45 0.58 2.76 -1.23 0.00 -1.26 -4.62 105.19 102.86 1f8t n GLY 127 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1f8t n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f8t n SER 128 N 0.00 1.60 -3.57 1.61 7.64 -1.26 -4.68 113.62 114.96 1f8t n SER 128 Ca 0.00 -2.02 -0.08 0.00 1.01 0.00 0.00 58.87 57.78 1f8t n SER 128 Cb 0.00 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 1f8t n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f8t s ALA 129 N 4.02 -1.95 -0.91 -0.43 0.00 -1.26 -5.03 121.76 116.20 1f8t s ALA 129 Ca 0.14 1.49 0.10 0.00 0.00 0.00 0.00 51.96 53.69 1f8t s ALA 129 Cb 0.04 -0.45 0.27 0.00 0.00 0.00 0.00 23.12 22.98 1f8t s ALA 129 CO -0.01 -0.43 1.21 0.00 0.00 0.00 0.00 175.76 176.53 1f8t n ALA 130 N 0.36 2.19 -2.55 0.00 0.00 -1.26 -4.93 120.51 114.32 1f8t n ALA 130 Ca -0.07 -1.09 -0.06 0.00 0.00 0.00 0.00 53.44 52.22 1f8t n ALA 130 Cb 0.59 -0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.64 1f8t n ALA 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1f8t n GLN 133 N 0.47 -1.95 0.04 0.00 3.00 -1.26 -4.95 117.38 112.74 1f8t n GLN 133 Ca 0.11 1.82 0.12 0.00 -0.01 0.00 0.00 57.00 59.04 1f8t n GLN 133 Cb 0.40 -4.76 0.19 0.00 0.00 0.00 0.00 30.24 26.08 1f8t n GLN 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1f8t n THR 134 N -0.27 0.23 -0.11 5.09 -1.04 -1.26 -4.90 114.28 112.03 1f8t n THR 134 Ca 0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1f8t n THR 134 Cb 0.33 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1f8t n THR 134 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1f8t n ASN 135 N -1.91 -0.25 -0.08 8.00 5.03 -1.26 -5.01 115.26 119.78 1f8t n ASN 135 Ca 0.04 -0.11 -0.07 0.00 0.87 0.00 0.00 54.58 55.31 1f8t n ASN 135 Cb 0.41 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.02 1f8t n ASN 135 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1f8t n SER 136 N -0.70 0.55 -4.52 6.41 3.41 -1.26 -4.73 113.62 112.78 1f8t n SER 136 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1f8t n SER 136 Cb 0.00 1.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.87 1f8t n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1f8t s MET 137 N -2.51 2.05 -0.08 4.33 -1.94 -1.26 0.73 119.30 120.61 1f8t s MET 137 Ca -0.09 -1.03 0.02 0.00 -1.71 0.00 0.00 55.69 52.88 1f8t s MET 137 Cb 0.06 -2.24 0.01 0.00 2.01 0.00 0.00 34.83 34.67 1f8t s MET 137 CO 0.74 0.52 -0.15 0.08 -0.01 0.00 0.00 175.02 176.20 1f8t s VAL 138 N -1.10 1.38 -0.16 -6.03 1.01 0.41 -4.73 120.40 111.18 1f8t s VAL 138 Ca 0.18 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1f8t s VAL 138 Cb -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1f8t s VAL 138 CO 0.10 0.41 0.04 0.42 0.00 0.00 0.00 175.10 176.07 1f8t s THR 139 N 0.74 4.63 0.37 3.92 -4.23 -1.26 -0.25 115.64 119.55 1f8t s THR 139 Ca -0.12 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1f8t s THR 139 Cb -0.16 -3.05 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 1f8t s THR 139 CO 0.03 0.50 0.06 -0.76 -0.54 0.00 0.00 174.62 173.90 1f8t s LEU 140 N 0.07 2.27 0.14 4.79 1.43 0.91 -4.61 118.68 123.68 1f8t s LEU 140 Ca 0.04 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.44 1f8t s LEU 140 Cb -0.12 -0.45 0.07 0.00 0.03 0.00 0.00 46.19 45.72 1f8t s LEU 140 CO 0.01 -0.65 1.02 -0.83 0.23 0.00 0.00 176.35 176.13 1f8t s GLY 141 N -3.58 -0.19 -0.02 -3.19 0.00 -0.94 -0.65 107.32 98.75 1f8t s GLY 141 Ca 0.32 0.12 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1f8t s GLY 141 CO 0.15 0.46 -0.10 0.00 0.00 0.00 0.00 173.10 173.61 1f8t s LEU 143 N 0.02 3.34 -0.46 0.00 2.96 -0.10 -1.96 118.68 122.48 1f8t s LEU 143 Ca -0.00 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1f8t s LEU 143 Cb -0.07 -1.87 0.11 0.00 0.50 0.00 0.00 46.19 44.86 1f8t s LEU 143 CO 0.00 -0.05 0.33 -0.69 -1.32 0.00 0.00 176.35 174.62 1f8t s VAL 144 N 1.56 4.33 0.02 1.68 1.01 0.12 -1.17 120.40 127.95 1f8t s VAL 144 Ca 0.06 -1.62 0.07 0.00 0.00 0.00 0.00 61.98 60.49 1f8t s VAL 144 Cb -0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1f8t s VAL 144 CO 0.01 -0.69 -0.21 -0.75 0.00 0.00 0.00 175.10 173.46 1f8t s LYS 145 N 1.41 2.06 -0.63 2.72 2.20 -0.33 -0.67 119.74 126.50 1f8t s LYS 145 Ca 0.05 -0.97 -0.04 0.00 -0.36 0.00 0.00 55.97 54.65 1f8t s LYS 145 Cb -0.25 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1f8t s LYS 145 CO 0.01 0.55 0.54 0.41 -0.36 0.00 0.00 175.35 176.50 1f8t n GLY 146 N 1.86 0.26 3.78 5.54 0.00 -0.06 -1.27 105.19 115.30 1f8t n GLY 146 Ca -0.16 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1f8t n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f8t s TYR 147 N -3.14 2.64 -0.29 1.61 1.13 -1.01 -4.52 117.35 113.77 1f8t s TYR 147 Ca 0.27 -0.55 -0.22 0.00 -1.41 0.00 0.00 57.07 55.16 1f8t s TYR 147 Cb -0.12 -2.01 0.14 0.00 -1.10 0.00 0.00 41.96 38.87 1f8t s TYR 147 CO 0.33 0.10 1.07 0.12 -2.51 0.00 0.00 175.55 174.67 1f8t s PHE 148 N -2.55 -0.44 0.21 -3.49 5.36 -0.67 -0.03 117.98 116.37 1f8t s PHE 148 Ca 0.43 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 57.41 1f8t s PHE 148 Cb 0.01 0.36 0.04 0.00 -0.34 0.00 0.00 43.02 43.10 1f8t s PHE 148 CO 0.24 -0.21 0.29 -0.35 -1.46 0.00 0.00 175.22 173.73 1f8t n PRO 149 N 2.61 0.66 -1.70 10.12 -0.04 -1.26 0.19 135.00 145.57 1f8t n PRO 149 Ca -0.14 -0.98 -0.31 0.00 -0.04 0.00 0.00 63.50 62.03 1f8t n PRO 149 Cb 0.56 -0.14 0.04 0.00 -0.04 0.00 0.00 33.50 33.92 1f8t n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f8t s GLU 150 N -3.04 3.06 0.50 0.54 0.41 -1.26 -4.77 118.70 114.14 1f8t s GLU 150 Ca 0.21 1.01 0.07 0.00 -0.41 0.00 0.00 54.97 55.84 1f8t s GLU 150 Cb -0.01 -2.01 0.02 0.00 -1.78 0.00 0.00 34.13 30.35 1f8t s GLU 150 CO 0.14 -1.00 0.43 -1.25 -0.49 0.00 0.00 175.26 173.08 1f8t s PRO 151 N -4.80 2.34 0.18 0.39 0.04 -1.26 -4.97 135.00 126.91 1f8t s PRO 151 Ca 0.59 -1.83 0.07 0.00 0.04 0.00 0.00 61.00 59.87 1f8t s PRO 151 Cb -0.14 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1f8t s PRO 151 CO 0.50 -0.50 -0.14 0.14 0.04 0.00 0.00 177.00 177.04 1f8t s VAL 152 N -2.67 1.59 -0.06 -0.36 -7.23 -1.26 -4.45 120.40 105.97 1f8t s VAL 152 Ca 0.41 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1f8t s VAL 152 Cb -0.02 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1f8t s VAL 152 CO 0.25 -0.55 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.35 1f8t s THR 153 N -2.77 2.05 -0.09 5.32 2.01 0.04 -4.95 115.64 117.26 1f8t s THR 153 Ca 0.18 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1f8t s THR 153 Cb -0.02 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1f8t s THR 153 CO 0.05 0.57 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.73 1f8t s VAL 154 N -0.15 1.30 0.20 3.82 1.01 -1.26 -0.83 120.40 124.49 1f8t s VAL 154 Ca -0.04 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1f8t s VAL 154 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1f8t s VAL 154 CO 0.04 0.40 -0.04 0.42 0.00 0.00 0.00 175.10 175.92 1f8t s THR 156 N 0.93 1.04 -0.06 3.92 -4.23 0.11 -4.96 115.64 112.40 1f8t s THR 156 Ca -0.09 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1f8t s THR 156 Cb -0.15 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1f8t s THR 156 CO 0.00 -0.48 -0.25 0.26 -0.54 0.00 0.00 174.62 173.61 1f8t s TRP 157 N -3.41 2.45 -1.44 3.99 0.52 -1.26 0.42 118.94 120.19 1f8t s TRP 157 Ca 0.24 -0.73 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 1f8t s TRP 157 Cb 0.05 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1f8t s TRP 157 CO 0.05 -0.22 0.36 0.09 0.02 0.00 0.00 176.95 177.25 1f8t n ASN 162 N 2.96 -0.20 -1.76 2.95 3.02 0.86 -0.66 115.26 122.44 1f8t n ASN 162 Ca -0.17 -1.05 -0.20 0.00 -0.03 0.00 0.00 54.58 53.12 1f8t n ASN 162 Cb 0.52 -2.79 -0.07 0.00 -0.61 0.00 0.00 39.78 36.83 1f8t n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f8t n SER 163 N -2.96 -5.30 0.00 6.41 7.64 -1.26 -2.02 113.62 116.13 1f8t n SER 163 Ca -0.30 0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1f8t n SER 163 Cb 0.68 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 1f8t n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f8t n GLY 164 N -0.51 1.07 0.23 0.23 0.00 0.17 -4.93 105.19 101.45 1f8t n GLY 164 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1f8t n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f8t h SER 165 N 0.00 0.47 -3.21 1.61 0.02 -1.39 -3.38 113.55 107.67 1f8t h SER 165 Ca 0.00 -0.18 -0.66 0.00 -0.84 0.00 0.00 61.79 60.12 1f8t h SER 165 Cb 0.00 -0.13 -0.16 0.00 0.14 0.00 0.00 62.40 62.25 1f8t h SER 165 CO 0.00 0.76 0.25 -0.22 -1.14 0.00 0.00 176.83 176.48 1f8t s LEU 166 N -8.57 4.65 0.00 5.07 2.96 -1.14 -4.81 118.68 116.84 1f8t s LEU 166 Ca -0.07 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1f8t s LEU 166 Cb 0.13 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1f8t s LEU 166 CO 0.79 -1.03 0.00 -1.54 -1.32 0.00 0.00 176.35 173.25 1f8t n SER 167 N 6.67 3.61 -4.82 3.68 3.41 -1.26 -4.22 113.62 120.69 1f8t n SER 167 Ca -0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.20 1f8t n SER 167 Cb 0.46 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 65.03 1f8t n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1f8t s SER 168 N -1.56 7.00 0.00 4.04 1.04 -1.26 -3.91 113.70 119.05 1f8t s SER 168 Ca 0.00 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1f8t s SER 168 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1f8t s SER 168 CO 0.00 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1f8t n GLY 169 N 1.35 0.49 3.84 7.32 0.00 -1.26 -4.76 105.19 112.16 1f8t n GLY 169 Ca -0.08 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1f8t n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f8t s VAL 171 N -2.00 5.33 -0.18 1.61 1.01 -1.25 -2.32 120.40 122.59 1f8t s VAL 171 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1f8t s VAL 171 Cb 0.00 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 33.12 1f8t s VAL 171 CO 0.00 0.60 0.02 -1.00 0.00 0.00 0.00 175.10 174.73 1f8t s HIS 172 N -0.89 1.09 -0.24 5.22 3.76 -0.03 -4.99 115.29 119.21 1f8t s HIS 172 Ca 0.14 -0.85 -0.05 0.00 -0.15 0.00 0.00 55.06 54.15 1f8t s HIS 172 Cb -0.12 -1.05 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 1f8t s HIS 172 CO 0.03 -0.60 0.01 0.99 -0.85 0.00 0.00 174.74 174.33 1f8t s THR 173 N 1.84 3.69 0.24 1.30 2.01 -1.26 -0.45 115.64 123.00 1f8t s THR 173 Ca -0.01 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.34 1f8t s THR 173 Cb -0.17 -2.75 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 1f8t s THR 173 CO -0.08 0.32 0.69 -0.36 -0.69 0.00 0.00 174.62 174.51 1f8t s PHE 174 N 1.51 3.55 0.46 4.92 0.08 -0.52 -5.01 117.98 122.97 1f8t s PHE 174 Ca 0.05 1.27 -0.25 0.00 0.12 0.00 0.00 56.93 58.12 1f8t s PHE 174 Cb -0.15 -2.54 -0.08 0.00 -0.57 0.00 0.00 43.02 39.68 1f8t s PHE 174 CO -0.01 0.28 1.44 -2.14 -0.10 0.00 0.00 175.22 174.69 1f8t s PRO 175 N -2.31 3.63 0.55 0.24 0.02 -1.26 -4.26 135.00 131.61 1f8t s PRO 175 Ca 0.46 2.45 -0.20 0.00 0.02 0.00 0.00 61.00 63.73 1f8t s PRO 175 Cb -0.14 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 1f8t s PRO 175 CO 0.20 -0.88 1.16 0.00 -0.33 0.00 0.00 177.00 177.15 1f8t s ALA 176 N -1.20 2.69 -0.09 -1.55 0.00 -1.26 -4.81 121.76 115.53 1f8t s ALA 176 Ca 0.62 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1f8t s ALA 176 Cb -0.44 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.29 1f8t s ALA 176 CO 0.57 -0.86 -0.24 0.08 0.00 0.00 0.00 175.76 175.31 1f8t s VAL 177 N -1.70 2.08 0.07 0.00 1.01 -0.37 -4.93 120.40 116.56 1f8t s VAL 177 Ca 0.73 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 1f8t s VAL 177 Cb -0.26 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1f8t s VAL 177 CO 0.29 0.56 0.54 -0.22 0.00 0.00 0.00 175.10 176.28 1f8t s LEU 178 N 0.24 4.51 -0.30 3.92 2.96 -1.26 -1.59 118.68 127.16 1f8t s LEU 178 Ca -0.16 1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.90 1f8t s LEU 178 Cb -0.17 -2.86 0.17 0.00 0.50 0.00 0.00 46.19 43.82 1f8t s LEU 178 CO 0.08 0.28 0.69 -1.58 -1.32 0.00 0.00 176.35 174.50 1f8t s GLN 179 N -1.14 0.51 -0.67 1.98 0.74 0.32 -4.94 119.66 116.47 1f8t s GLN 179 Ca 0.29 1.08 -0.03 0.00 0.05 0.00 0.00 55.36 56.75 1f8t s GLN 179 Cb -0.19 0.63 0.00 0.00 1.10 0.00 0.00 33.01 34.55 1f8t s GLN 179 CO 0.18 -0.39 0.39 0.43 -0.55 0.00 0.00 175.29 175.36 1f8t n SER 180 N 5.40 -3.80 -1.08 6.67 7.64 -1.26 -2.68 113.62 124.51 1f8t n SER 180 Ca -0.06 -0.18 -0.14 0.00 1.01 0.00 0.00 58.87 59.50 1f8t n SER 180 Cb 0.51 -2.55 -0.05 0.00 -1.01 0.00 0.00 64.21 61.10 1f8t n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1f8t n ASP 183 N -0.36 -4.59 -3.98 6.43 9.92 -1.26 -4.99 116.55 117.72 1f8t n ASP 183 Ca -0.03 0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 54.41 1f8t n ASP 183 Cb 0.54 -3.32 -0.13 0.00 -0.64 0.00 0.00 41.12 37.57 1f8t n ASP 183 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1f8t s LEU 184 N -3.15 2.13 0.08 0.64 1.43 -1.09 -4.81 118.68 113.91 1f8t s LEU 184 Ca 0.00 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1f8t s LEU 184 Cb 0.00 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.07 1f8t s LEU 184 CO 0.00 -0.10 0.22 -0.31 0.23 0.00 0.00 176.35 176.38 1f8t s TYR 185 N -0.75 3.49 -0.05 0.29 2.02 0.96 -0.52 117.35 122.79 1f8t s TYR 185 Ca -0.06 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 1f8t s TYR 185 Cb -0.06 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 1f8t s TYR 185 CO -0.00 0.57 -0.02 0.99 -1.57 0.00 0.00 175.55 175.52 1f8t s THR 186 N -1.55 0.39 0.11 -0.71 2.01 -0.62 -0.89 115.64 114.38 1f8t s THR 186 Ca 0.35 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.40 1f8t s THR 186 Cb -0.13 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1f8t s THR 186 CO 0.28 0.22 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.11 1f8t s LEU 187 N 1.33 2.47 0.07 4.42 0.20 0.15 -1.24 118.68 126.09 1f8t s LEU 187 Ca -0.05 -0.92 -0.00 0.00 0.69 0.00 0.00 54.13 53.84 1f8t s LEU 187 Cb -0.13 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.32 1f8t s LEU 187 CO -0.02 -0.33 -0.02 -0.94 -0.29 0.00 0.00 176.35 174.74 1f8t s SER 188 N -2.83 0.59 -0.04 3.68 1.04 -1.26 -0.70 113.70 114.18 1f8t s SER 188 Ca 0.11 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.40 1f8t s SER 188 Cb 0.01 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1f8t s SER 188 CO -0.01 -0.60 0.23 -0.55 0.98 0.00 0.00 173.24 173.30 1f8t s SER 189 N -2.96 -0.14 0.07 7.02 0.15 -0.83 -1.44 113.70 115.56 1f8t s SER 189 Ca 0.11 0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1f8t s SER 189 Cb 0.07 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1f8t s SER 189 CO -0.07 -0.30 -0.10 -0.94 1.20 0.00 0.00 173.24 173.03 1f8t s SER 190 N -0.85 1.24 -0.01 5.45 1.04 0.40 -1.49 113.70 119.49 1f8t s SER 190 Ca -0.09 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1f8t s SER 190 Cb -0.05 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1f8t s SER 190 CO 0.02 -0.20 0.00 0.54 0.98 0.00 0.00 173.24 174.58 1f8t s VAL 191 N -1.75 0.04 -0.17 5.02 0.11 0.18 -0.85 120.40 122.98 1f8t s VAL 191 Ca -0.03 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1f8t s VAL 191 Cb -0.07 -0.09 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1f8t s VAL 191 CO 0.01 0.05 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.83 1f8t s THR 192 N 0.40 2.99 0.18 5.04 2.01 -0.98 -0.06 115.64 125.22 1f8t s THR 192 Ca -0.03 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.39 1f8t s THR 192 Cb -0.05 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1f8t s THR 192 CO -0.01 0.49 -0.14 0.68 -0.69 0.00 0.00 174.62 174.95 1f8t s VAL 193 N 0.94 1.60 0.64 3.82 -7.23 0.65 -4.78 120.40 116.04 1f8t s VAL 193 Ca -0.02 -2.07 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 1f8t s VAL 193 Cb -0.15 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 1f8t s VAL 193 CO -0.01 -0.55 1.13 -2.16 -0.31 0.00 0.00 175.10 173.20 1f8t s PRO 194 N -3.38 2.86 0.39 4.82 0.04 -1.26 0.15 135.00 138.63 1f8t s PRO 194 Ca 0.18 1.51 0.23 0.00 0.04 0.00 0.00 61.00 62.96 1f8t s PRO 194 Cb -0.02 -1.95 1.24 0.00 0.04 0.00 0.00 34.50 33.81 1f8t s PRO 194 CO 0.05 -1.22 1.67 0.77 0.04 0.00 0.00 177.00 178.31 1f8t h SER 195 N 0.31 0.00 0.78 6.66 0.02 0.02 -2.90 113.55 118.44 1f8t h SER 195 Ca -0.48 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 1f8t h SER 195 Cb 1.26 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.81 1f8t h SER 195 CO 0.54 0.00 -0.38 0.28 -1.14 0.00 0.00 176.83 176.14 1f8t h SER 196 N 0.00 -0.89 0.00 3.07 0.02 -1.89 -3.42 113.55 110.44 1f8t h SER 196 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1f8t h SER 196 Cb 0.20 0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1f8t h SER 196 CO 0.00 -0.59 0.00 -2.65 -1.14 0.00 0.00 176.83 172.45 1f8t n PRO 199 N -5.11 0.00 -1.54 3.45 -0.02 -1.10 -4.41 135.00 126.28 1f8t n PRO 199 Ca -0.13 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 60.86 1f8t n PRO 199 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.86 1f8t n PRO 199 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1f8t n ARG 200 N 0.00 0.86 -0.01 -0.52 5.12 -1.25 1.00 116.66 121.86 1f8t n ARG 200 Ca 0.00 0.30 0.14 0.00 -1.93 0.00 0.00 57.85 56.36 1f8t n ARG 200 Cb 0.00 -1.69 0.71 0.00 -1.16 0.00 0.00 32.46 30.32 1f8t n ARG 200 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1f8t n PRO 202 N 1.40 1.26 0.00 5.56 -0.04 -1.26 -4.73 135.00 137.19 1f8t n PRO 202 Ca 0.15 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1f8t n PRO 202 Cb 0.24 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1f8t n PRO 202 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1f8t n SER 203 N -0.50 0.00 -4.79 3.54 7.64 0.28 -4.68 113.62 115.11 1f8t n SER 203 Ca 0.20 0.79 -0.34 0.00 1.01 0.00 0.00 58.87 60.53 1f8t n SER 203 Cb 0.20 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1f8t n SER 203 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1f8t s GLU 204 N -2.15 3.36 0.21 1.43 2.02 -1.16 -5.01 118.70 117.41 1f8t s GLU 204 Ca 0.00 1.35 -0.26 0.00 0.02 0.00 0.00 54.97 56.08 1f8t s GLU 204 Cb 0.00 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.12 1f8t s GLU 204 CO 0.00 -0.79 0.83 0.99 0.02 0.00 0.00 175.26 176.31 1f8t s THR 205 N -2.18 4.29 -0.12 3.63 2.01 -1.26 -3.93 115.64 118.08 1f8t s THR 205 Ca 0.67 1.78 -0.00 0.00 0.31 0.00 0.00 61.69 64.44 1f8t s THR 205 Cb -0.18 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1f8t s THR 205 CO 0.31 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.90 1f8t s VAL 206 N -1.25 1.17 0.00 3.82 1.01 -1.26 -4.98 120.40 118.91 1f8t s VAL 206 Ca 0.40 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1f8t s VAL 206 Cb -0.23 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1f8t s VAL 206 CO 0.27 0.39 -0.16 -0.89 0.00 0.00 0.00 175.10 174.71 1f8t s THR 207 N 1.61 1.24 -0.12 3.92 2.01 -1.26 -1.43 115.64 121.61 1f8t s THR 207 Ca 0.04 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1f8t s THR 207 Cb -0.13 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1f8t s THR 207 CO -0.08 0.28 0.01 0.00 -0.69 0.00 0.00 174.62 174.13 1f8t s ASN 209 N -0.41 4.34 -0.04 0.00 -0.87 0.17 -1.12 114.94 117.00 1f8t s ASN 209 Ca 0.08 -0.36 0.07 0.00 -1.57 0.00 0.00 52.86 51.07 1f8t s ASN 209 Cb -0.12 -1.74 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 1f8t s ASN 209 CO 0.02 0.00 -0.25 0.54 -2.57 0.00 0.00 177.10 174.84 1f8t s VAL 210 N 1.35 2.06 -0.04 1.60 0.11 -0.42 -0.71 120.40 124.36 1f8t s VAL 210 Ca 0.04 -1.08 0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1f8t s VAL 210 Cb -0.14 -1.73 -0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1f8t s VAL 210 CO -0.02 0.57 -0.16 0.00 -3.33 0.00 0.00 175.10 172.16 1f8t s ALA 211 N -0.35 1.42 -0.44 1.54 0.00 -0.01 -1.27 121.76 122.65 1f8t s ALA 211 Ca 0.02 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1f8t s ALA 211 Cb -0.12 -0.47 0.13 0.00 0.00 0.00 0.00 23.12 22.66 1f8t s ALA 211 CO 0.02 0.26 0.22 -1.58 0.00 0.00 0.00 175.76 174.68 1f8t s HIS 212 N 0.02 2.42 0.19 0.00 2.46 0.36 -0.78 115.29 119.98 1f8t s HIS 212 Ca -0.03 -2.61 -0.14 0.00 0.47 0.00 0.00 55.06 52.74 1f8t s HIS 212 Cb -0.11 -2.21 0.19 0.00 -0.13 0.00 0.00 32.58 30.32 1f8t s HIS 212 CO 0.02 -0.79 1.66 -1.35 -2.47 0.00 0.00 174.74 171.80 1f8t h PRO 213 N 6.86 0.04 -1.09 2.88 0.11 -1.80 -0.25 132.00 138.75 1f8t h PRO 213 Ca -0.04 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.37 1f8t h PRO 213 Cb 0.93 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 31.92 1f8t h PRO 213 CO 0.54 0.02 0.68 0.00 -0.21 0.00 0.00 178.00 179.04 1f8t h ALA 214 N 1.51 2.25 -0.36 -0.75 0.00 -1.91 0.35 119.26 120.36 1f8t h ALA 214 Ca 0.26 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f8t h ALA 214 Cb 0.40 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1f8t h ALA 214 CO -0.51 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 176.86 1f8t n SER 215 N -4.74 3.07 -4.07 0.00 3.41 -0.85 -4.96 113.62 105.48 1f8t n SER 215 Ca 0.29 -2.10 -0.32 0.00 -0.26 0.00 0.00 58.87 56.48 1f8t n SER 215 Cb 1.00 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.67 1f8t n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f8t n SER 216 N 0.46 -3.06 -4.82 4.04 7.64 0.12 -4.93 113.62 113.08 1f8t n SER 216 Ca 0.13 -0.94 -0.35 0.00 1.01 0.00 0.00 58.87 58.71 1f8t n SER 216 Cb 0.48 -3.16 -0.07 0.00 -1.01 0.00 0.00 64.21 60.46 1f8t n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f8t s THR 217 N -3.43 5.08 -0.15 0.44 2.01 -0.44 -4.97 115.64 114.17 1f8t s THR 217 Ca 0.55 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 1f8t s THR 217 Cb -0.29 -3.24 0.07 0.00 0.01 0.00 0.00 72.50 69.05 1f8t s THR 217 CO 0.89 0.53 0.28 -0.75 -0.69 0.00 0.00 174.62 174.89 1f8t s LYS 218 N -1.23 0.18 -0.02 4.92 2.20 -1.26 -0.48 119.74 124.05 1f8t s LYS 218 Ca 0.17 0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1f8t s LYS 218 Cb -0.12 -0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.10 1f8t s LYS 218 CO 0.07 -0.34 0.03 0.54 -0.36 0.00 0.00 175.35 175.30 1f8t s VAL 219 N 2.44 -0.04 -0.20 4.02 0.11 -0.39 -5.02 120.40 121.32 1f8t s VAL 219 Ca 0.02 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.16 1f8t s VAL 219 Cb -0.13 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 1f8t s VAL 219 CO -0.10 0.06 0.03 -1.81 -3.33 0.00 0.00 175.10 169.96 1f8t s ASP 220 N 0.78 5.15 -0.19 3.54 1.01 -1.26 -1.30 116.67 124.39 1f8t s ASP 220 Ca -0.06 -0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.10 1f8t s ASP 220 Cb -0.09 -1.89 0.02 0.00 1.01 0.00 0.00 42.92 41.97 1f8t s ASP 220 CO -0.02 0.09 -0.17 -0.75 0.21 0.00 0.00 175.17 174.53 1f8t s LYS 221 N 0.85 2.95 0.18 8.23 2.47 -0.28 -4.96 119.74 129.19 1f8t s LYS 221 Ca 0.02 -0.86 -0.29 0.00 -1.56 0.00 0.00 55.97 53.28 1f8t s LYS 221 Cb -0.14 -2.66 -0.08 0.00 -1.46 0.00 0.00 37.83 33.49 1f8t s LYS 221 CO 0.02 -0.25 0.90 0.21 0.16 0.00 0.00 175.35 176.39 1f8t s LYS 222 N 1.29 4.74 -0.46 4.03 2.20 -1.26 -1.65 119.74 128.64 1f8t s LYS 222 Ca 0.04 1.39 -0.18 0.00 -0.36 0.00 0.00 55.97 56.86 1f8t s LYS 222 Cb -0.14 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1f8t s LYS 222 CO -0.11 0.44 0.51 0.42 -0.36 0.00 0.00 175.35 176.25 1f8t s ILE 223 N -0.80 5.02 0.09 5.43 -1.09 -0.51 -4.90 121.20 124.44 1f8t s ILE 223 Ca 0.41 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.42 1f8t s ILE 223 Cb -0.24 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1f8t s ILE 223 CO 0.30 -0.58 -0.05 0.68 -1.23 0.00 0.00 174.94 174.06 1f8t s VAL 226 N 2.27 3.71 0.56 2.92 -7.23 -1.26 -4.66 120.40 116.71 1f8t s VAL 226 Ca 0.13 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 1f8t s VAL 226 Cb -0.19 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 1f8t s VAL 226 CO 0.12 0.15 1.21 -2.65 -0.31 0.00 0.00 175.10 173.62 1f8t n PRO 227 N 0.73 1.36 -3.05 4.82 -0.02 -1.26 -4.83 135.00 132.75 1f8t n PRO 227 Ca -0.12 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1f8t n PRO 227 Cb 0.52 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1f8t n PRO 227 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f8t s ARG 228 N -2.82 4.01 0.00 -0.52 0.52 -1.26 -5.02 118.95 113.86 1f8t s ARG 228 Ca 0.73 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1f8t s ARG 228 Cb -0.43 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1f8t s ARG 228 CO 0.48 0.10 0.00 -0.25 0.02 0.00 0.00 175.30 175.65 1f8t n ASP 229 N -0.53 0.00 0.00 0.23 9.92 -1.26 -5.14 116.55 119.77 1f8t n ASP 229 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1f8t n ASP 229 Cb 0.53 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1f8t n ASP 229 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33