#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8t s GLN 2 N 0.00 0.64 -0.09 0.00 -0.21 -1.26 -5.13 119.66 113.61 1a8t s GLN 2 Ca 0.00 1.20 -0.16 0.00 0.02 0.00 0.00 55.36 56.42 1a8t s GLN 2 Cb 0.00 0.23 -0.08 0.00 1.00 0.00 0.00 33.01 34.17 1a8t s GLN 2 CO 0.00 -0.16 0.50 1.17 -2.12 0.00 0.00 175.29 174.68 1a8t n LYS 3 N 4.51 0.00 -4.00 2.91 0.00 -1.26 -4.82 118.16 115.49 1a8t n LYS 3 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 57.81 1a8t n LYS 3 Cb 0.57 -0.56 -0.15 0.00 0.00 0.00 0.00 35.03 34.89 1a8t n LYS 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a8t s SER 4 N 0.56 4.58 -0.05 3.14 0.15 -1.26 -3.37 113.70 117.44 1a8t s SER 4 Ca 0.37 -1.89 -0.01 0.00 0.70 0.00 0.00 55.95 55.12 1a8t s SER 4 Cb -0.52 -1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1a8t s SER 4 CO 0.26 -0.33 0.00 -0.69 1.20 0.00 0.00 173.24 173.68 1a8t s VAL 5 N 1.04 4.26 -0.27 4.45 1.01 -0.85 -4.97 120.40 125.07 1a8t s VAL 5 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1a8t s VAL 5 Cb -0.19 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1a8t s VAL 5 CO -0.09 0.52 0.10 -0.54 0.00 0.00 0.00 175.10 175.09 1a8t s LYS 6 N -1.13 3.51 -0.00 2.72 3.01 -1.26 0.53 119.74 127.11 1a8t s LYS 6 Ca 0.16 -0.58 -0.19 0.00 -1.01 0.00 0.00 55.97 54.35 1a8t s LYS 6 Cb -0.11 -3.40 -0.31 0.00 -1.01 0.00 0.00 37.83 32.99 1a8t s LYS 6 CO 0.05 -0.28 0.98 0.82 0.51 0.00 0.00 175.35 177.43 1a8t h ILE 7 N 5.61 1.40 0.00 2.17 2.04 -1.37 -3.47 117.51 123.90 1a8t h ILE 7 Ca -0.36 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1a8t h ILE 7 Cb 1.16 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 1a8t h ILE 7 CO 0.59 0.73 0.00 -0.24 0.00 0.00 0.00 178.15 179.23 1a8t n SER 8 N -3.97 0.00 0.00 1.72 2.88 -1.19 -5.03 113.62 108.03 1a8t n SER 8 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1a8t n SER 8 Cb 0.91 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1a8t n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1a8t n ASP 9 N 0.00 0.43 -1.90 -3.46 8.00 -1.26 -4.71 116.55 113.65 1a8t n ASP 9 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1a8t n ASP 9 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.18 1a8t n ASP 9 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1a8t n ASP 10 N -2.78 5.11 -3.44 -2.24 5.75 -1.26 -4.77 116.55 112.93 1a8t n ASP 10 Ca 0.00 -3.14 -0.05 0.00 -0.01 0.00 0.00 54.79 51.59 1a8t n ASP 10 Cb 0.37 -0.87 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 1a8t n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1a8t s ILE 11 N -2.55 -0.77 -0.02 2.12 1.01 -1.26 -2.30 121.20 117.42 1a8t s ILE 11 Ca 0.38 0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1a8t s ILE 11 Cb 0.31 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1a8t s ILE 11 CO 0.03 -0.02 -0.23 -0.55 0.00 0.00 0.00 174.94 174.17 1a8t s SER 12 N 2.69 3.28 0.25 3.58 0.15 -0.94 -0.86 113.70 121.85 1a8t s SER 12 Ca 0.08 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.40 1a8t s SER 12 Cb -0.14 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.68 1a8t s SER 12 CO -0.17 0.32 0.02 -0.63 1.20 0.00 0.00 173.24 173.98 1a8t s ILE 13 N -0.65 3.59 -0.21 6.45 -1.09 0.19 -1.84 121.20 127.64 1a8t s ILE 13 Ca 0.10 -1.78 -0.04 0.00 -2.23 0.00 0.00 60.65 56.71 1a8t s ILE 13 Cb -0.10 -2.90 0.10 0.00 -1.58 0.00 0.00 42.46 37.98 1a8t s ILE 13 CO -0.00 -0.33 0.28 -0.89 -1.23 0.00 0.00 174.94 172.76 1a8t s THR 14 N -2.20 -0.42 -0.51 2.92 2.01 0.19 -2.01 115.64 115.62 1a8t s THR 14 Ca 0.31 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 1a8t s THR 14 Cb -0.07 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.76 1a8t s THR 14 CO 0.20 -0.16 1.11 -1.58 -0.69 0.00 0.00 174.62 173.50 1a8t s GLN 15 N 2.40 3.59 0.00 4.92 0.74 -1.22 0.28 119.66 130.39 1a8t s GLN 15 Ca 0.08 0.33 0.24 0.00 0.05 0.00 0.00 55.36 56.07 1a8t s GLN 15 Cb -0.15 -3.96 0.37 0.00 1.10 0.00 0.00 33.01 30.37 1a8t s GLN 15 CO -0.13 -1.46 1.32 1.28 -0.55 0.00 0.00 175.29 175.74 1a8t n LEU 16 N 7.90 1.17 -3.87 3.68 4.77 -0.40 -4.66 117.00 125.59 1a8t n LEU 16 Ca 0.09 -0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 55.65 1a8t n LEU 16 Cb 0.49 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1a8t n LEU 16 CO 0.70 0.23 0.73 -0.94 -1.33 0.00 0.00 177.39 176.78 1a8t s SER 17 N -2.67 0.03 0.33 -1.43 1.04 -0.17 -4.95 113.70 105.88 1a8t s SER 17 Ca 0.18 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.77 1a8t s SER 17 Cb 0.18 0.62 0.57 0.00 0.10 0.00 0.00 66.02 67.50 1a8t s SER 17 CO 0.62 -1.25 1.86 -2.24 0.98 0.00 0.00 173.24 173.21 1a8t h ASP 18 N 2.00 0.51 0.00 7.02 3.04 -1.99 -3.19 116.42 123.80 1a8t h ASP 18 Ca -0.30 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 1a8t h ASP 18 Cb 1.23 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1a8t h ASP 18 CO 0.39 0.59 -0.06 0.29 -2.04 0.00 0.00 179.24 178.41 1a8t n LYS 19 N -4.26 1.20 -3.66 4.15 5.02 -1.26 -4.94 118.16 114.40 1a8t n LYS 19 Ca 0.01 -2.31 -0.08 0.00 -2.02 0.00 0.00 58.31 53.92 1a8t n LYS 19 Cb 0.26 -1.34 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 1a8t n LYS 19 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a8t s VAL 20 N -2.41 -0.67 0.22 -0.18 1.01 -1.21 -2.28 120.40 114.89 1a8t s VAL 20 Ca 0.26 0.14 0.12 0.00 0.00 0.00 0.00 61.98 62.50 1a8t s VAL 20 Cb 0.23 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1a8t s VAL 20 CO 0.02 0.06 -0.23 -0.31 0.00 0.00 0.00 175.10 174.65 1a8t s TYR 21 N 2.59 2.29 -0.03 5.22 1.51 -0.35 -1.00 117.35 127.58 1a8t s TYR 21 Ca -0.03 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1a8t s TYR 21 Cb -0.12 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1a8t s TYR 21 CO -0.14 0.57 -0.14 0.99 -1.11 0.00 0.00 175.55 175.73 1a8t s THR 22 N -1.96 1.16 0.34 -0.71 2.01 0.14 0.43 115.64 117.06 1a8t s THR 22 Ca 0.24 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.72 1a8t s THR 22 Cb -0.07 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 1a8t s THR 22 CO 0.11 0.34 0.03 -0.72 -0.69 0.00 0.00 174.62 173.69 1a8t s TYR 23 N 0.07 2.12 -0.10 4.92 1.13 -0.67 0.55 117.35 125.37 1a8t s TYR 23 Ca -0.03 -0.84 0.01 0.00 -1.41 0.00 0.00 57.07 54.81 1a8t s TYR 23 Cb -0.10 -1.40 0.02 0.00 -1.10 0.00 0.00 41.96 39.38 1a8t s TYR 23 CO 0.01 0.17 -0.12 0.14 -2.51 0.00 0.00 175.55 173.24 1a8t s VAL 24 N -3.09 1.26 -0.34 -3.49 -7.23 -0.76 -1.64 120.40 105.11 1a8t s VAL 24 Ca 0.35 -0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.97 1a8t s VAL 24 Cb 0.08 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 35.89 1a8t s VAL 24 CO 0.16 0.39 0.09 -0.94 -0.31 0.00 0.00 175.10 174.49 1a8t s SER 25 N 1.06 5.21 0.01 4.85 1.04 0.10 -2.22 113.70 123.77 1a8t s SER 25 Ca -0.06 -1.27 -0.25 0.00 0.48 0.00 0.00 55.95 54.85 1a8t s SER 25 Cb -0.15 -1.83 -0.05 0.00 0.10 0.00 0.00 66.02 64.10 1a8t s SER 25 CO -0.02 -0.34 0.77 -0.76 0.98 0.00 0.00 173.24 173.88 1a8t s LEU 26 N 1.34 4.41 0.33 2.42 1.43 -0.97 -2.30 118.68 125.33 1a8t s LEU 26 Ca -0.02 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 1a8t s LEU 26 Cb -0.20 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1a8t s LEU 26 CO 0.01 -0.05 0.53 0.00 0.23 0.00 0.00 176.35 177.08 1a8t s ALA 27 N 0.27 0.23 -0.40 4.21 0.00 -1.05 -4.78 121.76 120.25 1a8t s ALA 27 Ca 0.40 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1a8t s ALA 27 Cb -0.20 1.05 0.04 0.00 0.00 0.00 0.00 23.12 24.01 1a8t s ALA 27 CO 0.22 -0.84 0.25 -2.00 0.00 0.00 0.00 175.76 173.39 1a8t s GLU 28 N -3.17 2.83 -0.45 0.00 2.12 -1.26 -2.81 118.70 115.95 1a8t s GLU 28 Ca 0.26 -1.16 -0.23 0.00 0.36 0.00 0.00 54.97 54.20 1a8t s GLU 28 Cb -0.01 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.57 1a8t s GLU 28 CO 0.16 -0.79 0.76 0.42 -0.54 0.00 0.00 175.26 175.27 1a8t s ILE 29 N 1.57 4.68 -0.28 -3.70 1.01 -1.21 -4.99 121.20 118.28 1a8t s ILE 29 Ca 0.03 0.37 -0.41 0.00 0.00 0.00 0.00 60.65 60.64 1a8t s ILE 29 Cb -0.20 -4.30 -0.16 0.00 0.01 0.00 0.00 42.46 37.80 1a8t s ILE 29 CO 0.07 -0.70 1.70 1.21 0.00 0.00 0.00 174.94 177.22 1a8t n GLU 30 N 6.63 1.04 0.00 2.79 2.13 -1.26 -2.86 120.64 129.11 1a8t n GLU 30 Ca 0.02 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1a8t n GLU 30 Cb 0.48 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1a8t n GLU 30 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a8t n GLY 31 N 4.07 2.41 0.00 8.31 0.00 -1.26 -4.93 105.19 113.79 1a8t n GLY 31 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1a8t n GLY 31 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a8t n TRP 32 N -0.34 0.00 -2.99 1.61 7.02 -1.14 -5.14 117.44 116.46 1a8t n TRP 32 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1a8t n TRP 32 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1a8t n TRP 32 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a8t n GLY 33 N 0.39 -0.27 3.53 6.99 0.00 -1.25 -4.80 105.19 109.78 1a8t n GLY 33 Ca 0.00 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1a8t n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a8t s MET 34 N 0.00 3.39 -0.12 1.61 -1.94 -1.26 -3.35 119.30 117.62 1a8t s MET 34 Ca 0.00 -0.15 -0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1a8t s MET 34 Cb 0.00 -3.99 -0.03 0.00 2.01 0.00 0.00 34.83 32.81 1a8t s MET 34 CO 0.00 -1.31 0.02 0.08 -0.01 0.00 0.00 175.02 173.80 1a8t s VAL 35 N 3.65 4.42 -0.22 -6.03 1.01 -1.12 -4.97 120.40 117.14 1a8t s VAL 35 Ca 0.31 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1a8t s VAL 35 Cb -0.12 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1a8t s VAL 35 CO 0.22 0.55 0.40 -2.16 0.00 0.00 0.00 175.10 174.11 1a8t s PRO 36 N -0.39 4.13 0.05 2.72 0.04 -1.26 -2.52 135.00 137.77 1a8t s PRO 36 Ca 0.08 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.33 1a8t s PRO 36 Cb -0.12 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1a8t s PRO 36 CO 0.02 -0.11 -0.06 -1.12 0.04 0.00 0.00 177.00 175.76 1a8t s SER 37 N 1.21 4.63 0.34 6.66 0.01 -0.97 -4.31 113.70 121.27 1a8t s SER 37 Ca 0.18 -0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.30 1a8t s SER 37 Cb -0.15 -1.02 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 1a8t s SER 37 CO 0.08 0.23 0.11 0.20 0.41 0.00 0.00 173.24 174.27 1a8t s ASN 38 N -1.84 4.56 -0.02 2.44 0.01 -1.10 0.03 114.94 119.01 1a8t s ASN 38 Ca 0.20 -0.83 -0.29 0.00 -0.71 0.00 0.00 52.86 51.23 1a8t s ASN 38 Cb -0.11 -0.68 0.10 0.00 0.41 0.00 0.00 41.25 40.98 1a8t s ASN 38 CO 0.12 -0.29 0.94 -0.83 -1.51 0.00 0.00 177.10 175.53 1a8t s GLY 39 N -3.82 -0.43 -0.01 0.66 0.00 -0.65 -4.83 107.32 98.25 1a8t s GLY 39 Ca 0.37 1.03 0.03 0.00 0.00 0.00 0.00 44.72 46.15 1a8t s GLY 39 CO 0.22 0.34 -0.09 1.06 0.00 0.00 0.00 173.10 174.62 1a8t s MET 40 N -3.03 2.51 -0.17 2.90 -1.94 -0.65 -1.66 119.30 117.27 1a8t s MET 40 Ca 0.06 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1a8t s MET 40 Cb -0.01 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.37 1a8t s MET 40 CO -0.08 0.61 -0.15 0.42 -0.01 0.00 0.00 175.02 175.81 1a8t s ILE 41 N -0.93 2.62 -0.19 2.53 1.01 0.17 -2.34 121.20 124.07 1a8t s ILE 41 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1a8t s ILE 41 Cb -0.11 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1a8t s ILE 41 CO 0.06 0.51 -0.02 -0.69 0.00 0.00 0.00 174.94 174.79 1a8t s VAL 42 N 0.98 1.03 -0.28 2.92 1.01 -0.11 -1.21 120.40 124.74 1a8t s VAL 42 Ca -0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1a8t s VAL 42 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1a8t s VAL 42 CO -0.03 -0.03 0.17 -0.63 0.00 0.00 0.00 175.10 174.58 1a8t s ILE 43 N 1.64 5.12 -0.06 2.22 1.01 -0.97 -0.61 121.20 129.56 1a8t s ILE 43 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 1a8t s ILE 43 Cb -0.17 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1a8t s ILE 43 CO -0.07 0.25 -0.02 0.21 0.00 0.00 0.00 174.94 175.31 1a8t s ASN 44 N 1.73 1.28 -1.70 3.58 3.04 -0.21 -4.60 114.94 118.05 1a8t s ASN 44 Ca 0.07 -0.10 -0.15 0.00 0.04 0.00 0.00 52.86 52.72 1a8t s ASN 44 Cb -0.16 -0.44 0.14 0.00 -1.54 0.00 0.00 41.25 39.25 1a8t s ASN 44 CO 0.10 -0.13 0.56 -3.20 -3.04 0.00 0.00 177.10 171.38 1a8t n ASN 45 N 4.66 -1.78 0.00 -4.21 5.15 -1.26 0.15 115.26 117.96 1a8t n ASN 45 Ca -0.15 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.70 1a8t n ASN 45 Cb 0.50 -2.24 0.00 0.00 -0.53 0.00 0.00 39.78 37.52 1a8t n ASN 45 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1a8t n HIS 46 N -4.32 0.00 -3.95 1.20 8.25 -1.26 -5.00 115.22 110.14 1a8t n HIS 46 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1a8t n HIS 46 Cb 0.54 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 1a8t n HIS 46 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1a8t s GLN 47 N -0.24 3.98 -0.20 -0.41 -0.21 0.39 0.34 119.66 123.31 1a8t s GLN 47 Ca 0.00 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.09 1a8t s GLN 47 Cb 0.00 -3.25 0.03 0.00 1.00 0.00 0.00 33.01 30.79 1a8t s GLN 47 CO 0.00 0.31 -0.17 0.00 -2.12 0.00 0.00 175.29 173.31 1a8t s ALA 48 N 0.27 2.36 -0.02 6.09 0.00 0.95 -1.05 121.76 130.36 1a8t s ALA 48 Ca 0.05 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1a8t s ALA 48 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1a8t s ALA 48 CO -0.00 -0.57 0.32 0.00 0.00 0.00 0.00 175.76 175.51 1a8t s ALA 49 N 1.26 3.77 -0.08 0.00 0.00 0.22 -0.05 121.76 126.87 1a8t s ALA 49 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1a8t s ALA 49 Cb -0.15 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1a8t s ALA 49 CO -0.11 0.55 -0.11 -1.17 0.00 0.00 0.00 175.76 174.92 1a8t s LEU 50 N -1.26 1.52 -0.54 0.00 2.96 -0.40 -0.93 118.68 120.01 1a8t s LEU 50 Ca 0.23 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.71 1a8t s LEU 50 Cb -0.15 -0.83 0.13 0.00 0.50 0.00 0.00 46.19 45.85 1a8t s LEU 50 CO 0.12 -0.01 0.46 -0.76 -1.32 0.00 0.00 176.35 174.84 1a8t s LEU 51 N 0.97 6.03 0.44 -0.68 1.43 -0.99 -1.28 118.68 124.61 1a8t s LEU 51 Ca -0.09 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.07 1a8t s LEU 51 Cb -0.15 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1a8t s LEU 51 CO 0.00 -0.76 0.00 0.47 0.23 0.00 0.00 176.35 176.29 1a8t n ASP 52 N 4.97 -8.52 -4.87 2.29 8.00 -0.50 -1.63 116.55 116.28 1a8t n ASP 52 Ca -0.09 1.21 -0.21 0.00 0.71 0.00 0.00 54.79 56.41 1a8t n ASP 52 Cb 0.41 -4.55 -0.03 0.00 -0.02 0.00 0.00 41.12 36.92 1a8t n ASP 52 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a8t s THR 53 N -2.77 3.37 1.27 -3.53 -4.23 -0.46 -4.54 115.64 104.74 1a8t s THR 53 Ca 0.00 -1.32 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 1a8t s THR 53 Cb 0.00 -3.16 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1a8t s THR 53 CO 0.00 -0.13 1.07 -2.84 -0.54 0.00 0.00 174.62 172.18 1a8t s PRO 54 N -4.05 -1.73 0.55 3.99 0.02 -1.26 -3.81 135.00 128.69 1a8t s PRO 54 Ca 0.43 -0.06 0.29 0.00 0.02 0.00 0.00 61.00 61.68 1a8t s PRO 54 Cb -0.06 -1.54 1.46 0.00 0.02 0.00 0.00 34.50 34.38 1a8t s PRO 54 CO 0.27 -4.05 1.93 0.82 -0.33 0.00 0.00 177.00 175.64 1a8t h ILE 55 N -2.82 0.57 -1.76 2.83 1.08 -1.87 -2.11 117.51 113.43 1a8t h ILE 55 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1a8t h ILE 55 Cb 1.30 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1a8t h ILE 55 CO 0.31 0.00 0.00 -0.46 -0.69 0.00 0.00 178.15 177.31 1a8t n ASN 56 N -4.18 0.00 -0.02 1.72 0.23 -1.26 -4.51 115.26 107.24 1a8t n ASN 56 Ca 0.13 -0.76 -0.12 0.00 -0.53 0.00 0.00 54.58 53.30 1a8t n ASN 56 Cb 0.78 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.34 1a8t n ASN 56 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1a8t n ASP 57 N -1.99 1.21 -0.31 0.53 8.00 -1.26 -3.74 116.55 119.00 1a8t n ASP 57 Ca 0.00 0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.96 1a8t n ASP 57 Cb 0.00 -0.26 0.30 0.00 -0.02 0.00 0.00 41.12 41.14 1a8t n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a8t h ALA 58 N 0.73 1.43 0.00 2.24 0.00 -1.97 1.75 119.26 123.44 1a8t h ALA 58 Ca -0.34 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1a8t h ALA 58 Cb 2.03 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 1a8t h ALA 58 CO 0.08 -0.31 -0.93 1.96 0.00 0.00 0.00 179.25 180.05 1a8t h GLN 59 N 0.43 0.00 -0.36 0.00 4.20 -1.96 -2.36 115.11 115.06 1a8t h GLN 59 Ca 0.55 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.20 1a8t h GLN 59 Cb 1.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1a8t h GLN 59 CO -0.51 0.05 -0.02 1.15 -0.67 0.00 0.00 178.83 178.83 1a8t h THR 60 N 0.00 1.26 0.00 -0.54 2.02 -0.37 -1.50 112.91 113.79 1a8t h THR 60 Ca -0.02 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1a8t h THR 60 Cb 1.08 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1a8t h THR 60 CO 0.01 0.34 0.00 1.21 0.37 0.00 0.00 175.52 177.45 1a8t n GLU 61 N -4.47 0.84 -0.10 6.66 2.13 0.55 -0.06 120.64 126.20 1a8t n GLU 61 Ca -0.02 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.63 1a8t n GLU 61 Cb 0.29 -1.10 -0.08 0.00 0.27 0.00 0.00 31.44 30.82 1a8t n GLU 61 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1a8t n MET 62 N -0.60 0.46 0.07 5.31 1.56 -0.65 -4.17 117.12 119.10 1a8t n MET 62 Ca 0.04 0.15 -0.12 0.00 -0.27 0.00 0.00 57.70 57.50 1a8t n MET 62 Cb 0.02 -1.31 -0.03 0.00 2.15 0.00 0.00 33.22 34.05 1a8t n MET 62 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1a8t h LEU 63 N -0.34 0.45 -0.74 -0.89 5.85 -1.28 -2.85 115.31 115.51 1a8t h LEU 63 Ca -0.47 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 57.86 1a8t h LEU 63 Cb 1.57 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1a8t h LEU 63 CO -0.18 1.16 -0.14 0.58 -0.34 0.00 0.00 178.44 179.51 1a8t h VAL 64 N 0.20 0.29 0.01 1.05 2.07 -0.69 -2.35 116.25 116.83 1a8t h VAL 64 Ca -0.07 -1.08 -0.29 0.00 0.82 0.00 0.00 66.70 66.08 1a8t h VAL 64 Cb 1.54 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 1a8t h VAL 64 CO 0.15 0.14 -1.70 0.78 0.02 0.00 0.00 177.57 176.96 1a8t h ASN 65 N 0.00 0.02 -0.56 0.57 2.35 -1.71 -3.30 115.58 112.96 1a8t h ASN 65 Ca -0.00 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1a8t h ASN 65 Cb 0.85 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 1a8t h ASN 65 CO 0.02 1.05 0.27 -0.25 -1.65 0.00 0.00 177.43 176.86 1a8t h TRP 66 N 0.00 0.81 0.00 1.19 7.01 -1.51 0.11 115.95 123.57 1a8t h TRP 66 Ca -0.28 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.67 1a8t h TRP 66 Cb 2.01 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.82 1a8t h TRP 66 CO 0.00 0.63 0.00 1.33 -2.79 0.00 0.00 178.44 177.62 1a8t n VAL 67 N -4.55 0.00 -0.00 2.65 0.24 -0.89 -0.57 118.33 115.21 1a8t n VAL 67 Ca 0.03 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.32 1a8t n VAL 67 Cb 0.12 -0.22 -0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1a8t n VAL 67 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1a8t n THR 68 N -0.36 0.40 -0.20 3.34 -1.04 0.09 -3.46 114.28 113.05 1a8t n THR 68 Ca 0.00 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1a8t n THR 68 Cb 0.03 -1.45 0.09 0.00 -1.82 0.00 0.00 70.33 67.18 1a8t n THR 68 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1a8t h ASP 69 N -0.14 -0.25 0.17 8.00 3.32 -0.76 0.32 116.42 127.07 1a8t h ASP 69 Ca 0.00 0.15 -0.35 0.00 0.02 0.00 0.00 57.03 56.85 1a8t h ASP 69 Cb 0.14 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1a8t h ASP 69 CO 0.00 -0.10 -2.13 -1.20 -1.72 0.00 0.00 179.24 174.08 1a8t n SER 70 N -5.27 1.06 -0.00 6.45 7.64 0.26 -4.52 113.62 119.24 1a8t n SER 70 Ca 0.08 0.13 0.10 0.00 1.01 0.00 0.00 58.87 60.20 1a8t n SER 70 Cb 0.34 0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.45 1a8t n SER 70 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a8t n LEU 71 N -3.08 0.58 -3.94 -3.43 4.77 -1.20 -5.00 117.00 105.70 1a8t n LEU 71 Ca -0.31 -0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.07 1a8t n LEU 71 Cb 1.07 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.16 1a8t n LEU 71 CO 0.40 0.14 -0.21 1.41 -1.33 0.00 0.00 177.39 177.80 1a8t n HIS 72 N -1.81 -1.63 -4.30 -1.77 8.25 0.11 -4.93 115.22 109.14 1a8t n HIS 72 Ca 0.01 0.55 -0.22 0.00 -0.26 0.00 0.00 57.72 57.79 1a8t n HIS 72 Cb 0.42 -3.40 -0.12 0.00 1.12 0.00 0.00 29.99 28.01 1a8t n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a8t s ALA 73 N -3.82 1.85 -0.16 -1.41 0.00 -1.22 -4.48 121.76 112.52 1a8t s ALA 73 Ca 0.20 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1a8t s ALA 73 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1a8t s ALA 73 CO 0.91 0.26 -0.03 0.21 0.00 0.00 0.00 175.76 177.11 1a8t s LYS 74 N -2.45 3.69 -0.05 0.00 2.20 0.15 -4.23 119.74 119.05 1a8t s LYS 74 Ca 0.11 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1a8t s LYS 74 Cb -0.07 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1a8t s LYS 74 CO 0.05 0.23 1.40 0.08 -0.36 0.00 0.00 175.35 176.75 1a8t s VAL 75 N 0.40 3.86 0.00 4.02 1.01 -1.26 -0.03 120.40 128.40 1a8t s VAL 75 Ca -0.03 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1a8t s VAL 75 Cb -0.14 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1a8t s VAL 75 CO 0.03 -0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.43 1a8t n THR 76 N 4.96 0.00 -4.13 3.92 -2.24 0.93 -4.86 114.28 112.86 1a8t n THR 76 Ca 0.14 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1a8t n THR 76 Cb 0.44 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.26 1a8t n THR 76 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a8t s THR 77 N -0.61 0.60 -0.03 4.28 2.01 -1.22 -2.01 115.64 118.66 1a8t s THR 77 Ca 0.00 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 1a8t s THR 77 Cb 0.00 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.94 1a8t s THR 77 CO 0.00 -0.19 0.40 0.12 -0.69 0.00 0.00 174.62 174.27 1a8t s PHE 78 N -0.95 -0.30 -0.18 4.92 2.19 -0.70 -1.28 117.98 121.67 1a8t s PHE 78 Ca -0.05 0.50 -0.04 0.00 0.33 0.00 0.00 56.93 57.67 1a8t s PHE 78 Cb -0.07 0.18 0.09 0.00 -1.31 0.00 0.00 43.02 41.90 1a8t s PHE 78 CO 0.00 -0.44 0.26 0.42 1.83 0.00 0.00 175.22 177.29 1a8t s ILE 79 N -1.26 -0.40 0.37 3.12 1.01 -0.41 -1.03 121.20 122.60 1a8t s ILE 79 Ca -0.13 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1a8t s ILE 79 Cb -0.04 -0.61 -0.10 0.00 0.01 0.00 0.00 42.46 41.72 1a8t s ILE 79 CO 0.06 -0.08 0.82 -2.16 0.00 0.00 0.00 174.94 173.58 1a8t s PRO 80 N 2.39 4.09 0.06 2.79 0.04 -1.26 -1.41 135.00 141.70 1a8t s PRO 80 Ca 0.06 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1a8t s PRO 80 Cb -0.14 -2.33 -0.30 0.00 0.04 0.00 0.00 34.50 31.77 1a8t s PRO 80 CO -0.11 0.08 1.08 -0.97 0.04 0.00 0.00 177.00 177.11 1a8t h ASN 81 N 2.09 0.53 -0.59 6.66 -0.73 -1.92 -3.44 115.58 118.19 1a8t h ASN 81 Ca -0.48 -0.58 0.00 0.00 1.87 0.00 0.00 56.30 57.10 1a8t h ASN 81 Cb 1.18 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.59 1a8t h ASN 81 CO 0.64 1.46 0.00 0.00 -0.37 0.00 0.00 177.43 179.15 1a8t n HIS 82 N -3.57 -0.41 -0.86 0.67 1.44 -1.26 -2.61 115.22 108.62 1a8t n HIS 82 Ca -0.11 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.41 1a8t n HIS 82 Cb 1.05 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.32 1a8t n HIS 82 CO 0.00 0.00 0.00 -2.67 -2.81 0.00 0.00 176.34 170.86 1a8t n TRP 83 N 0.00 2.55 -3.40 -1.40 4.27 -1.26 -4.45 117.44 113.75 1a8t n TRP 83 Ca 0.00 -1.59 -0.36 0.00 -3.89 0.00 0.00 57.50 51.67 1a8t n TRP 83 Cb 0.00 -0.82 -0.06 0.00 -1.36 0.00 0.00 31.31 29.07 1a8t n TRP 83 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 1a8t s HIS 84 N -2.76 3.62 0.28 -2.67 3.76 -1.26 -4.77 115.29 111.50 1a8t s HIS 84 Ca 0.48 1.02 0.23 0.00 -0.15 0.00 0.00 55.06 56.63 1a8t s HIS 84 Cb 0.40 -2.33 0.92 0.00 1.11 0.00 0.00 32.58 32.68 1a8t s HIS 84 CO 0.09 0.47 0.91 0.41 -0.85 0.00 0.00 174.74 175.78 1a8t n GLY 85 N 0.96 -0.52 0.00 -2.22 0.00 -1.26 0.37 105.19 102.51 1a8t n GLY 85 Ca -0.07 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1a8t n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a8t n ASP 86 N -3.59 0.00 -0.00 1.61 5.75 -1.26 -0.87 116.55 118.19 1a8t n ASP 86 Ca 0.24 0.31 -0.00 0.00 -0.01 0.00 0.00 54.79 55.33 1a8t n ASP 86 Cb 1.01 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1a8t n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a8t n ILE 88 N -2.61 1.70 -0.24 0.00 -6.64 -1.09 -1.36 119.36 109.11 1a8t n ILE 88 Ca -0.01 -1.23 0.32 0.00 -1.77 0.00 0.00 62.75 60.07 1a8t n ILE 88 Cb 0.02 0.17 0.72 0.00 -1.44 0.00 0.00 39.64 39.12 1a8t n ILE 88 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 1a8t h GLY 89 N 3.58 0.00 -4.08 3.28 0.00 -1.09 -1.17 103.07 103.59 1a8t h GLY 89 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1a8t h GLY 89 CO 0.18 0.00 -0.84 0.61 0.00 0.00 0.00 176.54 176.49 1a8t n GLY 90 N -1.72 5.77 0.07 4.60 0.00 -0.79 -4.01 105.19 109.11 1a8t n GLY 90 Ca 0.22 -2.50 0.12 0.00 0.00 0.00 0.00 46.02 43.86 1a8t n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a8t n LEU 91 N -0.64 0.71 -0.17 0.99 7.94 -0.44 -3.91 117.00 121.48 1a8t n LEU 91 Ca 0.39 0.20 -0.07 0.00 -1.11 0.00 0.00 56.01 55.41 1a8t n LEU 91 Cb 0.90 -0.12 0.02 0.00 0.53 0.00 0.00 43.42 44.75 1a8t n LEU 91 CO 0.35 -0.08 1.08 1.23 -1.11 0.00 0.00 177.39 178.87 1a8t h GLY 92 N 4.33 0.71 0.63 -3.96 0.00 -1.83 -3.07 103.07 99.87 1a8t h GLY 92 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1a8t h GLY 92 CO 0.00 0.26 -0.34 -1.82 0.00 0.00 0.00 176.54 174.64 1a8t h TYR 93 N 0.68 -0.92 0.00 5.60 3.20 -1.94 -3.31 116.97 120.28 1a8t h TYR 93 Ca 0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1a8t h TYR 93 Cb -0.07 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1a8t h TYR 93 CO -0.04 -0.48 0.00 1.28 -1.64 0.00 0.00 178.16 177.28 1a8t n LEU 94 N -5.45 0.59 0.02 2.82 4.77 -1.20 -2.41 117.00 116.14 1a8t n LEU 94 Ca -0.09 0.71 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1a8t n LEU 94 Cb 0.35 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 1a8t n LEU 94 CO 0.28 -0.75 -0.37 0.00 -1.33 0.00 0.00 177.39 175.22 1a8t n GLN 95 N -2.22 0.50 0.07 3.23 6.02 -1.17 0.18 117.38 124.00 1a8t n GLN 95 Ca 0.00 -0.07 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 1a8t n GLN 95 Cb 0.13 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.74 1a8t n GLN 95 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1a8t h ARG 96 N 0.00 0.00 -0.96 -1.09 1.12 -1.58 -2.69 114.38 109.18 1a8t h ARG 96 Ca 0.00 0.00 -0.49 0.00 -1.11 0.00 0.00 59.98 58.38 1a8t h ARG 96 Cb 0.89 0.00 -0.29 0.00 -0.01 0.00 0.00 29.97 30.56 1a8t h ARG 96 CO 0.00 0.53 0.61 1.63 -3.11 0.00 0.00 179.97 179.63 1a8t n LYS 97 N -3.12 2.33 -4.45 0.20 4.76 -1.01 -4.90 118.16 111.96 1a8t n LYS 97 Ca -0.04 -3.02 -0.40 0.00 -2.87 0.00 0.00 58.31 51.98 1a8t n LYS 97 Cb 0.84 -2.17 -0.08 0.00 -1.84 0.00 0.00 35.03 31.78 1a8t n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a8t n GLY 98 N -1.09 -0.34 3.77 0.72 0.00 -1.02 -4.89 105.19 102.34 1a8t n GLY 98 Ca 0.58 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 1a8t n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a8t s VAL 99 N -3.40 4.15 -0.34 1.61 1.01 0.48 -4.94 120.40 118.97 1a8t s VAL 99 Ca 0.68 1.93 -0.22 0.00 0.00 0.00 0.00 61.98 64.37 1a8t s VAL 99 Cb -0.40 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1a8t s VAL 99 CO 1.00 0.29 0.71 -1.10 0.00 0.00 0.00 175.10 176.00 1a8t s GLN 100 N -1.70 3.79 -0.13 2.72 -1.52 -0.85 -4.58 119.66 117.40 1a8t s GLN 100 Ca 0.46 0.28 -0.05 0.00 -1.95 0.00 0.00 55.36 54.10 1a8t s GLN 100 Cb -0.22 -3.78 -0.04 0.00 -0.22 0.00 0.00 33.01 28.76 1a8t s GLN 100 CO 0.27 -0.73 0.06 -1.12 -0.25 0.00 0.00 175.29 173.52 1a8t s SER 101 N 1.75 5.67 0.04 5.90 0.01 -1.26 -1.72 113.70 124.09 1a8t s SER 101 Ca 0.28 0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.83 1a8t s SER 101 Cb -0.14 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1a8t s SER 101 CO 0.14 0.32 -0.22 -0.31 0.41 0.00 0.00 173.24 173.59 1a8t s TYR 102 N -0.52 1.91 0.00 2.43 1.51 -0.20 -1.69 117.35 120.80 1a8t s TYR 102 Ca 0.10 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1a8t s TYR 102 Cb -0.12 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1a8t s TYR 102 CO 0.02 0.09 0.00 0.00 -1.11 0.00 0.00 175.55 174.55 1a8t n ALA 103 N 1.87 0.00 -1.81 3.71 0.00 -0.99 -4.06 120.51 119.22 1a8t n ALA 103 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 1a8t n ALA 103 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1a8t n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a8t s ASN 104 N -0.48 6.95 0.23 0.00 3.84 -1.26 -3.66 114.94 120.56 1a8t s ASN 104 Ca 0.00 1.72 -0.05 0.00 0.21 0.00 0.00 52.86 54.74 1a8t s ASN 104 Cb 0.00 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.39 1a8t s ASN 104 CO 0.00 -0.35 1.73 -0.61 -2.79 0.00 0.00 177.10 175.08 1a8t h GLN 105 N 2.03 0.92 -0.53 0.43 5.75 -1.62 -2.54 115.11 119.55 1a8t h GLN 105 Ca -0.49 -0.25 0.09 0.00 -0.15 0.00 0.00 58.65 57.85 1a8t h GLN 105 Cb 1.18 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.55 1a8t h GLN 105 CO 0.61 0.89 0.10 0.52 -2.65 0.00 0.00 178.83 178.30 1a8t h MET 106 N 0.86 0.22 0.00 1.69 2.86 -1.92 0.31 114.93 118.94 1a8t h MET 106 Ca 0.17 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1a8t h MET 106 Cb 0.46 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1a8t h MET 106 CO 0.02 0.15 -0.03 1.15 1.06 0.00 0.00 176.91 179.25 1a8t h THR 107 N 0.23 0.26 0.10 2.22 2.02 -1.78 0.19 112.91 116.14 1a8t h THR 107 Ca 0.27 -0.23 -0.21 0.00 0.77 0.00 0.00 66.41 67.02 1a8t h THR 107 Cb 0.38 1.17 0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1a8t h THR 107 CO -0.36 0.03 -0.86 -0.29 0.37 0.00 0.00 175.52 174.41 1a8t h ILE 108 N 0.00 1.43 -0.06 3.11 2.10 -0.08 -2.25 117.51 121.76 1a8t h ILE 108 Ca -0.00 -2.38 -0.11 0.00 1.08 0.00 0.00 64.86 63.44 1a8t h ILE 108 Cb 0.17 2.90 -0.01 0.00 -1.09 0.00 0.00 36.82 38.79 1a8t h ILE 108 CO 0.00 0.69 -0.48 0.44 -1.08 0.00 0.00 178.15 177.72 1a8t h ASP 109 N -0.13 0.17 0.23 2.19 3.32 -0.37 -2.68 116.42 119.14 1a8t h ASP 109 Ca -0.14 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1a8t h ASP 109 Cb 1.62 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1a8t h ASP 109 CO 0.17 0.63 -0.11 0.25 -1.72 0.00 0.00 179.24 178.45 1a8t h LEU 110 N 0.13 -0.26 -0.93 1.55 5.85 -0.68 -2.73 115.31 118.24 1a8t h LEU 110 Ca 0.00 0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.99 1a8t h LEU 110 Cb 0.91 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 41.83 1a8t h LEU 110 CO 0.07 -0.13 0.09 0.00 -0.34 0.00 0.00 178.44 178.13 1a8t h ALA 111 N -1.75 1.17 -0.75 1.25 0.00 -1.46 0.40 119.26 118.13 1a8t h ALA 111 Ca -0.03 0.30 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1a8t h ALA 111 Cb 0.23 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1a8t h ALA 111 CO 0.05 -0.54 0.37 0.87 0.00 0.00 0.00 179.25 180.00 1a8t h LYS 112 N 0.06 0.59 0.00 0.00 1.57 -1.44 0.29 116.57 117.63 1a8t h LYS 112 Ca 0.57 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.25 1a8t h LYS 112 Cb 1.17 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1a8t h LYS 112 CO -0.82 0.39 -0.31 0.93 -0.57 0.00 0.00 179.45 179.06 1a8t h GLU 113 N 0.60 0.00 -0.01 3.15 5.08 0.12 -2.80 114.58 120.72 1a8t h GLU 113 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1a8t h GLU 113 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1a8t h GLU 113 CO -0.30 0.31 -0.51 1.63 -1.00 0.00 0.00 179.01 179.14 1a8t n LYS 114 N -3.57 0.95 -3.10 2.33 5.02 -0.85 -5.01 118.16 113.93 1a8t n LYS 114 Ca -0.01 -0.76 -0.14 0.00 -2.02 0.00 0.00 58.31 55.39 1a8t n LYS 114 Cb 0.45 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 34.04 1a8t n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a8t n GLY 115 N 1.42 -0.78 3.93 0.72 0.00 0.91 -5.06 105.19 106.33 1a8t n GLY 115 Ca 0.09 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.27 1a8t n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8t s LEU 116 N -5.29 3.06 0.54 0.99 1.43 -0.54 -5.00 118.68 113.87 1a8t s LEU 116 Ca 0.31 -0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 1a8t s LEU 116 Cb -0.04 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1a8t s LEU 116 CO 0.65 -1.01 1.20 -2.16 0.23 0.00 0.00 176.35 175.26 1a8t s PRO 117 N -4.33 3.31 -0.19 1.29 0.05 -1.26 -4.65 135.00 129.22 1a8t s PRO 117 Ca 0.46 1.81 -0.04 0.00 0.05 0.00 0.00 61.00 63.29 1a8t s PRO 117 Cb -0.04 -2.13 -0.02 0.00 0.05 0.00 0.00 34.50 32.37 1a8t s PRO 117 CO 0.28 -0.93 -0.04 0.08 0.05 0.00 0.00 177.00 176.44 1a8t s VAL 118 N -1.58 3.62 0.95 -0.36 1.01 -1.26 -4.90 120.40 117.88 1a8t s VAL 118 Ca 0.72 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1a8t s VAL 118 Cb -0.30 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.59 1a8t s VAL 118 CO 0.34 0.45 0.87 -2.65 0.00 0.00 0.00 175.10 174.11 1a8t n PRO 119 N 4.17 -0.54 0.00 2.72 -0.02 -1.26 -4.96 135.00 135.11 1a8t n PRO 119 Ca -0.18 -0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.25 1a8t n PRO 119 Cb 0.52 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1a8t n PRO 119 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a8t n GLU 120 N -3.39 3.07 -5.08 -0.52 4.71 -0.68 -4.95 120.64 113.80 1a8t n GLU 120 Ca 0.09 -0.22 -0.30 0.00 -0.01 0.00 0.00 57.16 56.72 1a8t n GLU 120 Cb 0.53 -1.02 -0.17 0.00 -1.01 0.00 0.00 31.44 29.77 1a8t n GLU 120 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1a8t s HIS 121 N -1.77 2.23 0.43 -0.32 3.76 -0.99 -5.04 115.29 113.60 1a8t s HIS 121 Ca 0.06 -0.79 0.06 0.00 -0.15 0.00 0.00 55.06 54.23 1a8t s HIS 121 Cb 0.08 -1.50 -0.06 0.00 1.11 0.00 0.00 32.58 32.21 1a8t s HIS 121 CO 0.36 -0.30 0.01 0.20 -0.85 0.00 0.00 174.74 174.16 1a8t s GLY 122 N 0.19 2.61 0.22 -2.22 0.00 -1.26 -2.36 107.32 104.50 1a8t s GLY 122 Ca -0.11 -1.86 -0.15 0.00 0.00 0.00 0.00 44.72 42.59 1a8t s GLY 122 CO 0.06 -2.11 0.50 -0.11 0.00 0.00 0.00 173.10 171.43 1a8t s PHE 123 N -2.77 0.11 -0.03 1.90 -0.71 -1.24 -4.90 117.98 110.34 1a8t s PHE 123 Ca 0.28 -0.48 0.04 0.00 -1.04 0.00 0.00 56.93 55.74 1a8t s PHE 123 Cb 0.08 0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 1a8t s PHE 123 CO 0.15 -0.95 0.04 0.25 -1.34 0.00 0.00 175.22 173.37 1a8t n THR 124 N -0.35 0.16 0.10 -4.49 -2.24 -1.26 -1.51 114.28 104.69 1a8t n THR 124 Ca -0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1a8t n THR 124 Cb 0.62 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1a8t n THR 124 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a8t n ASP 125 N -1.95 0.10 -4.28 3.42 8.00 -1.26 -4.85 116.55 115.73 1a8t n ASP 125 Ca -0.04 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.60 1a8t n ASP 125 Cb 0.43 0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.61 1a8t n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a8t s SER 126 N -5.01 2.20 -0.30 -2.24 1.04 -1.26 -0.99 113.70 107.13 1a8t s SER 126 Ca 0.00 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 1a8t s SER 126 Cb 0.00 -0.09 0.17 0.00 0.10 0.00 0.00 66.02 66.20 1a8t s SER 126 CO 0.00 -0.17 0.67 -0.22 0.98 0.00 0.00 173.24 174.50 1a8t s LEU 127 N -2.82 -1.19 -0.78 2.42 2.96 -1.00 -4.94 118.68 113.33 1a8t s LEU 127 Ca 0.15 1.08 -0.14 0.00 -0.22 0.00 0.00 54.13 54.99 1a8t s LEU 127 Cb -0.03 2.13 0.20 0.00 0.50 0.00 0.00 46.19 49.00 1a8t s LEU 127 CO 0.04 -0.22 0.71 -0.89 -1.32 0.00 0.00 176.35 174.67 1a8t s THR 128 N 2.85 5.49 0.33 3.68 2.01 -1.26 -1.87 115.64 126.87 1a8t s THR 128 Ca 0.09 -2.33 -0.17 0.00 0.31 0.00 0.00 61.69 59.58 1a8t s THR 128 Cb -0.13 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.87 1a8t s THR 128 CO -0.19 -1.00 0.79 -0.69 -0.69 0.00 0.00 174.62 172.84 1a8t s VAL 129 N 0.38 4.58 -0.17 3.82 1.01 -1.02 -4.85 120.40 124.15 1a8t s VAL 129 Ca 0.15 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.28 1a8t s VAL 129 Cb -0.14 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1a8t s VAL 129 CO -0.07 -0.15 -0.11 -0.55 0.00 0.00 0.00 175.10 174.22 1a8t s SER 130 N -2.14 4.00 -1.20 3.32 0.15 -1.26 -1.32 113.70 115.25 1a8t s SER 130 Ca 0.54 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.75 1a8t s SER 130 Cb -0.11 -1.64 0.21 0.00 -1.71 0.00 0.00 66.02 62.77 1a8t s SER 130 CO 0.17 0.08 1.98 -0.11 1.20 0.00 0.00 173.24 176.56 1a8t n LEU 131 N 4.10 7.29 -1.25 3.45 7.94 0.32 -4.61 117.00 134.25 1a8t n LEU 131 Ca -0.18 -5.01 -0.09 0.00 -1.11 0.00 0.00 56.01 49.61 1a8t n LEU 131 Cb 0.52 -1.33 0.01 0.00 0.53 0.00 0.00 43.42 43.15 1a8t n LEU 131 CO 0.29 1.84 -0.05 -0.67 -1.11 0.00 0.00 177.39 177.69 1a8t n ASP 132 N 1.72 -3.34 0.00 1.96 2.03 -1.26 -3.17 116.55 114.50 1a8t n ASP 132 Ca 0.47 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1a8t n ASP 132 Cb 0.29 -2.42 0.00 0.00 -0.72 0.00 0.00 41.12 38.27 1a8t n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a8t n GLY 133 N -1.05 1.04 3.45 0.27 0.00 -1.26 -5.02 105.19 102.62 1a8t n GLY 133 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1a8t n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a8t s MET 134 N -0.26 3.04 0.50 1.61 1.75 -1.19 -5.04 119.30 119.70 1a8t s MET 134 Ca 0.00 -0.98 -0.23 0.00 -1.25 0.00 0.00 55.69 53.23 1a8t s MET 134 Cb 0.00 -4.03 -0.06 0.00 2.84 0.00 0.00 34.83 33.58 1a8t s MET 134 CO 0.00 -0.92 1.34 -1.25 -0.65 0.00 0.00 175.02 173.55 1a8t s PRO 135 N 1.97 3.42 -0.38 4.11 0.04 -1.26 -0.52 135.00 142.38 1a8t s PRO 135 Ca 0.09 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1a8t s PRO 135 Cb -0.19 -2.41 0.16 0.00 0.04 0.00 0.00 34.50 32.09 1a8t s PRO 135 CO 0.11 -0.96 0.32 -0.51 0.04 0.00 0.00 177.00 176.00 1a8t s LEU 136 N -3.17 0.74 -0.82 -3.56 1.43 -0.43 -4.51 118.68 108.34 1a8t s LEU 136 Ca 0.67 -2.32 -0.25 0.00 -1.03 0.00 0.00 54.13 51.19 1a8t s LEU 136 Cb -0.39 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 45.78 1a8t s LEU 136 CO 0.48 -0.24 1.53 -1.58 0.23 0.00 0.00 176.35 176.77 1a8t s GLN 137 N 0.80 3.12 0.22 1.70 0.74 -1.00 -2.45 119.66 122.80 1a8t s GLN 137 Ca 0.23 -0.36 -0.13 0.00 0.05 0.00 0.00 55.36 55.16 1a8t s GLN 137 Cb -0.11 -4.69 -0.08 0.00 1.10 0.00 0.00 33.01 29.23 1a8t s GLN 137 CO -0.07 -2.44 0.60 0.00 -0.55 0.00 0.00 175.29 172.83 1a8t s TYR 139 N -1.72 -0.13 -0.33 0.00 2.02 0.08 -2.38 117.35 114.89 1a8t s TYR 139 Ca 0.45 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 1a8t s TYR 139 Cb -0.13 0.18 0.10 0.00 -0.40 0.00 0.00 41.96 41.71 1a8t s TYR 139 CO 0.20 -0.64 0.04 -0.47 -1.57 0.00 0.00 175.55 173.11 1a8t s TYR 140 N -3.54 3.43 -1.79 2.71 5.04 -0.17 -2.24 117.35 120.80 1a8t s TYR 140 Ca 0.02 -2.76 0.20 0.00 -2.44 0.00 0.00 57.07 52.08 1a8t s TYR 140 Cb 0.02 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.66 1a8t s TYR 140 CO -0.10 -0.93 0.98 1.28 -1.34 0.00 0.00 175.55 175.44 1a8t n LEU 141 N 4.35 1.86 0.00 6.97 4.77 -1.26 -4.85 117.00 128.84 1a8t n LEU 141 Ca 0.01 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1a8t n LEU 141 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1a8t n LEU 141 CO 0.20 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1a8t n GLY 142 N 1.30 3.09 3.88 -0.72 0.00 -1.26 -4.73 105.19 106.74 1a8t n GLY 142 Ca 0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1a8t n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a8t s GLY 143 N 0.00 1.81 0.00 -0.02 0.00 -1.25 -4.69 107.32 103.16 1a8t s GLY 143 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1a8t s GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.71 1a8t n GLY 144 N -1.80 1.48 0.44 0.20 0.00 -1.26 -3.18 105.19 101.08 1a8t n GLY 144 Ca 0.03 0.23 0.25 0.00 0.00 0.00 0.00 46.02 46.53 1a8t n GLY 144 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1a8t h HIS 145 N 0.00 0.00 -3.27 1.61 6.17 -1.87 0.64 115.15 118.43 1a8t h HIS 145 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 1a8t h HIS 145 Cb 0.00 0.00 -0.12 0.00 2.52 0.00 0.00 27.41 29.81 1a8t h HIS 145 CO 0.00 0.00 0.02 0.00 0.71 0.00 0.00 177.93 178.66 1a8t s ALA 146 N -4.63 -1.10 0.13 5.26 0.00 -1.23 -3.26 121.76 116.92 1a8t s ALA 146 Ca -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1a8t s ALA 146 Cb 0.16 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1a8t s ALA 146 CO 0.58 -0.71 1.49 1.79 0.00 0.00 0.00 175.76 178.90 1a8t h THR 147 N 2.23 1.28 -0.01 0.00 1.35 -1.66 -3.24 112.91 112.87 1a8t h THR 147 Ca -0.33 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1a8t h THR 147 Cb 1.27 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1a8t h THR 147 CO 0.42 0.45 -0.14 -0.90 -0.25 0.00 0.00 175.52 175.10 1a8t n ASP 148 N -4.24 1.08 -4.54 5.36 5.75 -1.26 -3.83 116.55 114.86 1a8t n ASP 148 Ca -0.02 -1.06 -0.43 0.00 -0.01 0.00 0.00 54.79 53.27 1a8t n ASP 148 Cb 0.44 0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1a8t n ASP 148 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1a8t n ASN 149 N -0.42 0.47 -3.26 -1.12 2.04 -1.22 -4.71 115.26 107.04 1a8t n ASN 149 Ca 0.15 1.05 -0.20 0.00 -0.44 0.00 0.00 54.58 55.14 1a8t n ASN 149 Cb 0.33 -1.24 -0.08 0.00 -2.53 0.00 0.00 39.78 36.27 1a8t n ASN 149 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 1a8t n ILE 150 N -0.35 0.00 -4.21 1.53 -5.35 -1.07 -4.60 119.36 105.31 1a8t n ILE 150 Ca 0.11 -2.41 -0.16 0.00 -0.27 0.00 0.00 62.75 60.02 1a8t n ILE 150 Cb 0.36 1.18 -0.11 0.00 -1.74 0.00 0.00 39.64 39.33 1a8t n ILE 150 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1a8t s VAL 151 N -3.32 1.12 -0.08 7.28 -7.23 -0.95 -4.69 120.40 112.53 1a8t s VAL 151 Ca 0.38 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1a8t s VAL 151 Cb 0.02 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1a8t s VAL 151 CO 0.27 -0.52 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.70 1a8t s VAL 152 N -2.39 1.39 -0.16 1.32 1.01 -1.10 -0.74 120.40 119.73 1a8t s VAL 152 Ca 0.08 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1a8t s VAL 152 Cb -0.03 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1a8t s VAL 152 CO 0.01 0.41 -0.18 0.86 0.00 0.00 0.00 175.10 176.21 1a8t s TRP 153 N 0.63 2.76 -1.10 5.22 -0.00 0.33 0.07 118.94 126.85 1a8t s TRP 153 Ca -0.15 -1.28 -0.11 0.00 -0.00 0.00 0.00 56.10 54.57 1a8t s TRP 153 Cb -0.16 -1.89 0.24 0.00 -0.00 0.00 0.00 33.47 31.66 1a8t s TRP 153 CO 0.04 -0.60 1.15 -0.51 -0.00 0.00 0.00 176.95 177.03 1a8t s LEU 154 N 0.98 6.04 0.55 5.86 1.43 -0.40 -2.37 118.68 130.77 1a8t s LEU 154 Ca -0.03 -3.31 0.49 0.00 -1.03 0.00 0.00 54.13 50.25 1a8t s LEU 154 Cb -0.15 -2.26 1.72 0.00 0.03 0.00 0.00 46.19 45.53 1a8t s LEU 154 CO -0.04 -0.45 1.60 1.55 0.23 0.00 0.00 176.35 179.24 1a8t h PRO 155 N 6.97 0.00 0.00 1.29 0.13 -1.85 0.44 132.00 138.98 1a8t h PRO 155 Ca 0.20 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.25 1a8t h PRO 155 Cb 0.90 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1a8t h PRO 155 CO 1.04 0.00 -0.90 1.79 -0.23 0.00 0.00 178.00 179.70 1a8t h THR 156 N 0.00 0.38 -0.00 1.56 1.35 -1.91 -3.37 112.91 110.92 1a8t h THR 156 Ca 0.90 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1a8t h THR 156 Cb 3.60 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 71.99 1a8t h THR 156 CO -0.02 0.22 -0.66 -0.62 -0.25 0.00 0.00 175.52 174.18 1a8t n GLU 157 N -2.94 1.87 -2.12 4.72 -0.58 0.14 -4.97 120.64 116.76 1a8t n GLU 157 Ca -0.02 -0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.47 1a8t n GLU 157 Cb 0.70 -1.24 -0.02 0.00 -0.57 0.00 0.00 31.44 30.31 1a8t n GLU 157 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1a8t n ASN 158 N -1.16 -3.55 -4.65 1.62 5.03 -0.23 -4.77 115.26 107.54 1a8t n ASN 158 Ca 0.04 0.23 -0.36 0.00 0.87 0.00 0.00 54.58 55.36 1a8t n ASN 158 Cb 0.26 -3.12 -0.09 0.00 -1.02 0.00 0.00 39.78 35.80 1a8t n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a8t s ILE 159 N -2.41 5.20 -0.15 2.41 1.01 -1.24 0.12 121.20 126.14 1a8t s ILE 159 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1a8t s ILE 159 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1a8t s ILE 159 CO 0.00 0.38 -0.18 -0.22 0.00 0.00 0.00 174.94 174.92 1a8t s LEU 160 N 0.84 2.30 -0.99 2.97 2.96 0.24 -1.28 118.68 125.72 1a8t s LEU 160 Ca 0.07 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.27 1a8t s LEU 160 Cb -0.13 -1.51 0.14 0.00 0.50 0.00 0.00 46.19 45.20 1a8t s LEU 160 CO 0.02 0.08 1.18 0.12 -1.32 0.00 0.00 176.35 176.43 1a8t s PHE 161 N 0.85 3.24 0.12 5.38 5.36 0.11 -2.04 117.98 131.00 1a8t s PHE 161 Ca -0.05 -1.59 -0.21 0.00 -0.96 0.00 0.00 56.93 54.11 1a8t s PHE 161 Cb -0.15 -4.26 -0.05 0.00 -0.34 0.00 0.00 43.02 38.21 1a8t s PHE 161 CO -0.02 -1.44 1.70 0.78 -1.46 0.00 0.00 175.22 174.78 1a8t h GLY 162 N 10.10 0.03 0.00 13.12 0.00 -1.58 -2.92 103.07 121.83 1a8t h GLY 162 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1a8t h GLY 162 CO 1.12 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 178.18 1a8t n GLY 163 N -1.21 -1.80 0.01 4.60 0.00 -1.11 -4.29 105.19 101.39 1a8t n GLY 163 Ca -0.04 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1a8t n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8t h MET 165 N 0.03 0.00 -6.18 0.00 -0.00 -1.91 -3.41 114.93 103.46 1a8t h MET 165 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 59.14 1a8t h MET 165 Cb 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.54 1a8t h MET 165 CO 0.00 0.00 -0.55 -0.51 -0.00 0.00 0.00 176.91 175.85 1a8t s LEU 166 N -4.82 3.86 0.24 -0.10 1.43 -1.12 -4.79 118.68 113.39 1a8t s LEU 166 Ca 0.09 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1a8t s LEU 166 Cb 0.11 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1a8t s LEU 166 CO 0.64 0.05 -0.05 -0.54 0.23 0.00 0.00 176.35 176.68 1a8t s LYS 167 N -3.24 1.41 1.01 1.70 -0.14 -1.26 -4.11 119.74 115.10 1a8t s LYS 167 Ca 0.32 -1.70 -0.15 0.00 -1.36 0.00 0.00 55.97 53.08 1a8t s LYS 167 Cb -0.10 -0.92 0.20 0.00 -1.68 0.00 0.00 37.83 35.33 1a8t s LYS 167 CO 0.24 0.01 1.18 -0.51 -0.76 0.00 0.00 175.35 175.51 1a8t s ASP 168 N -3.36 2.67 0.30 2.83 1.01 -1.26 -4.75 116.67 114.12 1a8t s ASP 168 Ca 0.27 0.70 0.26 0.00 0.71 0.00 0.00 52.55 54.49 1a8t s ASP 168 Cb 0.04 -1.05 0.94 0.00 1.01 0.00 0.00 42.92 43.85 1a8t s ASP 168 CO 0.09 -3.05 1.77 0.78 0.21 0.00 0.00 175.17 174.97 1a8t h ASN 169 N -1.84 0.00 1.10 0.27 4.21 -1.91 -3.24 115.58 114.17 1a8t h ASN 169 Ca -0.48 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.89 1a8t h ASN 169 Cb 1.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.47 1a8t h ASN 169 CO 0.48 0.00 -0.95 -0.61 -1.29 0.00 0.00 177.43 175.06 1a8t h GLN 170 N 0.00 0.00 -6.03 0.81 4.15 -1.93 -3.47 115.11 108.64 1a8t h GLN 170 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.80 1a8t h GLN 170 Cb 0.55 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 1a8t h GLN 170 CO 0.00 0.47 -0.54 0.99 -1.93 0.00 0.00 178.83 177.83 1a8t s THR 171 N -2.91 5.05 -0.09 2.39 2.01 -1.23 -5.02 115.64 115.85 1a8t s THR 171 Ca 0.01 -0.57 0.16 0.00 0.31 0.00 0.00 61.69 61.59 1a8t s THR 171 Cb 0.08 -3.47 0.33 0.00 0.01 0.00 0.00 72.50 69.46 1a8t s THR 171 CO 0.78 0.11 1.16 0.35 -0.69 0.00 0.00 174.62 176.33 1a8t n THR 172 N 0.26 1.04 -4.01 -0.82 -2.24 -1.26 -4.77 114.28 102.48 1a8t n THR 172 Ca -0.07 -1.79 -0.36 0.00 -2.27 0.00 0.00 64.05 59.57 1a8t n THR 172 Cb 0.52 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 1a8t n THR 172 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a8t s SER 173 N -2.39 5.95 0.00 3.42 0.15 -1.26 -4.94 113.70 114.63 1a8t s SER 173 Ca 0.29 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.48 1a8t s SER 173 Cb 0.30 -1.91 1.11 0.00 -1.71 0.00 0.00 66.02 63.81 1a8t s SER 173 CO -0.08 0.34 1.76 0.00 1.20 0.00 0.00 173.24 176.46 1a8t n ILE 174 N 2.46 0.07 0.00 6.45 0.13 -1.26 -4.98 119.36 122.23 1a8t n ILE 174 Ca -0.19 -0.19 0.00 0.00 -1.10 0.00 0.00 62.75 61.28 1a8t n ILE 174 Cb 0.54 0.12 0.00 0.00 -0.84 0.00 0.00 39.64 39.45 1a8t n ILE 174 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1a8t n GLY 175 N 1.05 3.40 3.47 4.50 0.00 -1.26 -4.44 105.19 111.91 1a8t n GLY 175 Ca 0.18 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1a8t n GLY 175 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a8t s ASN 176 N -4.00 6.10 -0.47 1.61 2.47 -1.26 -5.00 114.94 114.39 1a8t s ASN 176 Ca 0.00 -0.84 0.06 0.00 0.42 0.00 0.00 52.86 52.51 1a8t s ASN 176 Cb 0.00 -2.16 0.39 0.00 -1.45 0.00 0.00 41.25 38.04 1a8t s ASN 176 CO 0.00 -0.42 1.03 2.30 -3.72 0.00 0.00 177.10 176.28 1a8t n ILE 177 N 5.16 2.37 0.04 -5.21 -5.35 -1.26 -4.75 119.36 110.35 1a8t n ILE 177 Ca -0.11 -4.98 -0.00 0.00 -0.27 0.00 0.00 62.75 57.39 1a8t n ILE 177 Cb 0.47 -1.10 -0.07 0.00 -1.74 0.00 0.00 39.64 37.19 1a8t n ILE 177 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1a8t h SER 178 N 2.76 0.00 -0.58 7.28 4.64 -1.95 -3.36 113.55 122.35 1a8t h SER 178 Ca 0.20 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.10 1a8t h SER 178 Cb 0.81 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.57 1a8t h SER 178 CO 0.80 0.59 -0.75 0.47 -0.87 0.00 0.00 176.83 177.07 1a8t n ASP 179 N -2.94 4.18 -4.95 4.97 8.00 -1.26 -5.06 116.55 119.50 1a8t n ASP 179 Ca -0.09 -3.79 -0.23 0.00 0.71 0.00 0.00 54.79 51.40 1a8t n ASP 179 Cb 0.84 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1a8t n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a8t s ALA 180 N -3.52 3.74 -0.52 2.24 0.00 -1.20 -2.29 121.76 120.21 1a8t s ALA 180 Ca 0.48 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1a8t s ALA 180 Cb 0.40 -2.14 0.22 0.00 0.00 0.00 0.00 23.12 21.60 1a8t s ALA 180 CO 0.01 -0.30 0.55 -3.47 0.00 0.00 0.00 175.76 172.55 1a8t n ASP 181 N -2.02 1.60 0.20 0.00 -0.08 0.22 -4.80 116.55 111.67 1a8t n ASP 181 Ca 0.00 -2.94 -0.13 0.00 -1.51 0.00 0.00 54.79 50.21 1a8t n ASP 181 Cb 0.57 -0.65 -0.07 0.00 2.34 0.00 0.00 41.12 43.31 1a8t n ASP 181 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1a8t h VAL 182 N 3.26 0.00 -0.83 5.18 2.07 -1.92 1.27 116.25 125.29 1a8t h VAL 182 Ca 0.16 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.88 1a8t h VAL 182 Cb 0.80 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1a8t h VAL 182 CO 0.60 0.00 0.57 0.71 0.02 0.00 0.00 177.57 179.47 1a8t h THR 183 N -0.73 0.67 0.02 2.57 1.35 -1.97 -2.61 112.91 112.21 1a8t h THR 183 Ca -0.04 -0.09 -0.27 0.00 -0.55 0.00 0.00 66.41 65.46 1a8t h THR 183 Cb 0.64 0.40 -0.04 0.00 -1.73 0.00 0.00 68.15 67.42 1a8t h THR 183 CO -0.06 0.05 -1.47 0.00 -0.25 0.00 0.00 175.52 173.78 1a8t h ALA 184 N 1.62 0.56 0.57 6.62 0.00 -1.76 -3.40 119.26 123.47 1a8t h ALA 184 Ca 0.41 -1.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1a8t h ALA 184 Cb 1.24 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1a8t h ALA 184 CO -0.10 1.41 -0.33 2.35 0.00 0.00 0.00 179.25 182.58 1a8t h TRP 185 N 0.01 -0.87 -0.75 0.00 2.91 0.20 -2.98 115.95 114.47 1a8t h TRP 185 Ca -0.20 -0.01 0.31 0.00 1.13 0.00 0.00 58.89 60.12 1a8t h TRP 185 Cb 1.94 0.31 -0.13 0.00 -0.51 0.00 0.00 29.16 30.77 1a8t h TRP 185 CO 0.01 -0.51 0.42 -2.30 -1.03 0.00 0.00 178.44 175.03 1a8t n PRO 186 N -5.47 -0.04 0.00 2.65 -0.02 -1.23 0.32 135.00 131.20 1a8t n PRO 186 Ca -0.12 0.99 0.13 0.00 -2.02 0.00 0.00 63.50 62.48 1a8t n PRO 186 Cb 0.36 -1.79 0.46 0.00 -0.02 0.00 0.00 33.50 32.51 1a8t n PRO 186 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1a8t n LYS 187 N -4.57 0.81 -0.06 -0.52 4.01 -1.13 -3.37 118.16 113.34 1a8t n LYS 187 Ca 0.28 -0.42 -0.06 0.00 -0.51 0.00 0.00 58.31 57.59 1a8t n LYS 187 Cb 0.96 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.93 1a8t n LYS 187 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1a8t h THR 188 N 1.03 0.79 -0.96 -0.18 2.02 0.51 -2.86 112.91 113.26 1a8t h THR 188 Ca 0.00 -1.59 0.20 0.00 0.77 0.00 0.00 66.41 65.79 1a8t h THR 188 Cb 0.46 1.49 -0.11 0.00 -1.74 0.00 0.00 68.15 68.25 1a8t h THR 188 CO 0.00 0.27 0.54 -0.07 0.37 0.00 0.00 175.52 176.63 1a8t h LEU 189 N -1.00 0.64 -0.12 2.58 3.38 -1.60 1.29 115.31 120.47 1a8t h LEU 189 Ca -0.00 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1a8t h LEU 189 Cb 0.45 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1a8t h LEU 189 CO -0.00 0.17 -0.23 -0.78 0.09 0.00 0.00 178.44 177.69 1a8t h ASP 190 N 0.63 -0.72 0.27 -0.43 3.58 -1.63 1.75 116.42 119.88 1a8t h ASP 190 Ca 0.57 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 58.13 1a8t h ASP 190 Cb 0.97 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 1a8t h ASP 190 CO -0.43 -0.29 -0.20 0.11 -2.88 0.00 0.00 179.24 175.56 1a8t h LYS 191 N -0.31 -0.45 -0.92 0.28 1.57 0.17 -1.49 116.57 115.43 1a8t h LYS 191 Ca 0.10 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.09 1a8t h LYS 191 Cb 0.45 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 1a8t h LYS 191 CO -0.29 -0.30 0.59 0.28 -0.57 0.00 0.00 179.45 179.16 1a8t h VAL 192 N -0.47 0.74 0.00 0.50 2.07 0.72 0.29 116.25 120.11 1a8t h VAL 192 Ca -0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1a8t h VAL 192 Cb 0.40 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1a8t h VAL 192 CO 0.00 0.11 -0.23 0.07 0.02 0.00 0.00 177.57 177.54 1a8t h LYS 193 N 0.58 0.00 0.00 1.57 2.10 0.37 -3.17 116.57 118.02 1a8t h LYS 193 Ca 0.49 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.92 1a8t h LYS 193 Cb 0.96 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1a8t h LYS 193 CO -0.23 0.23 -0.92 0.00 -2.00 0.00 0.00 179.45 176.53 1a8t h ALA 194 N 1.77 0.42 0.12 0.07 0.00 -0.05 -3.16 119.26 118.44 1a8t h ALA 194 Ca -0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 54.91 53.92 1a8t h ALA 194 Cb 0.79 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1a8t h ALA 194 CO 0.03 0.84 -1.22 -0.22 0.00 0.00 0.00 179.25 178.68 1a8t h LYS 195 N 0.19 0.39 -1.56 0.00 1.63 -1.36 -3.37 116.57 112.49 1a8t h LYS 195 Ca -0.07 -0.59 -0.58 0.00 -0.85 0.00 0.00 60.65 58.57 1a8t h LYS 195 Cb 1.55 0.21 -0.42 0.00 -0.60 0.00 0.00 32.23 32.97 1a8t h LYS 195 CO 0.15 1.25 -0.74 1.19 -3.45 0.00 0.00 179.45 177.85 1a8t n PHE 196 N -3.64 3.37 0.30 1.91 3.72 -1.20 -4.82 117.46 117.09 1a8t n PHE 196 Ca -0.10 -3.18 0.19 0.00 -0.05 0.00 0.00 57.45 54.31 1a8t n PHE 196 Cb 0.99 -0.13 0.98 0.00 -0.94 0.00 0.00 39.48 40.39 1a8t n PHE 196 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1a8t h PRO 197 N 2.63 0.00 -0.56 -1.08 0.13 -1.72 -2.56 132.00 128.84 1a8t h PRO 197 Ca 0.27 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.20 1a8t h PRO 197 Cb 0.90 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.91 1a8t h PRO 197 CO 0.83 0.00 0.16 -1.13 -0.23 0.00 0.00 178.00 177.64 1a8t n SER 198 N -3.26 3.86 -4.69 1.44 3.41 -1.26 -5.01 113.62 108.11 1a8t n SER 198 Ca -0.01 -3.37 -0.42 0.00 -0.26 0.00 0.00 58.87 54.80 1a8t n SER 198 Cb 0.24 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1a8t n SER 198 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a8t s ALA 199 N -3.07 3.46 0.06 7.33 0.00 -0.97 -4.92 121.76 123.65 1a8t s ALA 199 Ca 0.50 0.51 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 1a8t s ALA 199 Cb 0.41 -3.48 -0.32 0.00 0.00 0.00 0.00 23.12 19.74 1a8t s ALA 199 CO 0.08 -0.70 1.08 0.00 0.00 0.00 0.00 175.76 176.22 1a8t h ARG 200 N 7.31 0.41 -5.98 0.00 3.08 0.61 -3.42 114.38 116.40 1a8t h ARG 200 Ca -0.32 -0.69 -0.63 0.00 0.07 0.00 0.00 59.98 58.41 1a8t h ARG 200 Cb 1.15 0.26 -0.30 0.00 0.08 0.00 0.00 29.97 31.16 1a8t h ARG 200 CO 0.87 1.33 -0.86 0.71 -1.07 0.00 0.00 179.97 180.95 1a8t s TYR 201 N -2.65 2.01 -0.35 3.04 2.02 -1.07 -4.56 117.35 115.79 1a8t s TYR 201 Ca -0.06 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.17 1a8t s TYR 201 Cb 0.06 -1.31 0.13 0.00 -0.40 0.00 0.00 41.96 40.43 1a8t s TYR 201 CO 0.92 -0.09 0.19 0.08 -1.57 0.00 0.00 175.55 175.07 1a8t s VAL 202 N -0.35 0.43 0.12 0.71 1.01 -1.17 0.81 120.40 121.95 1a8t s VAL 202 Ca 0.04 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.17 1a8t s VAL 202 Cb -0.10 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 1a8t s VAL 202 CO 0.01 -0.88 0.62 -0.69 0.00 0.00 0.00 175.10 174.16 1a8t s VAL 203 N 1.20 4.66 0.42 2.92 1.01 -0.87 -2.31 120.40 127.43 1a8t s VAL 203 Ca 0.15 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 1a8t s VAL 203 Cb -0.21 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1a8t s VAL 203 CO -0.10 0.47 0.57 -2.65 0.00 0.00 0.00 175.10 173.39 1a8t n PRO 204 N 1.46 -0.11 0.00 2.72 -0.02 -1.26 -1.70 135.00 136.09 1a8t n PRO 204 Ca -0.08 -1.24 0.13 0.00 -2.02 0.00 0.00 63.50 60.29 1a8t n PRO 204 Cb 0.50 -0.48 0.29 0.00 -0.02 0.00 0.00 33.50 33.80 1a8t n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a8t n GLY 205 N 0.93 -0.42 3.57 -1.23 0.00 0.19 -4.28 105.19 103.94 1a8t n GLY 205 Ca 0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1a8t n GLY 205 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a8t s HIS 206 N -2.47 -0.34 0.00 1.61 3.76 -1.26 -2.73 115.29 113.85 1a8t s HIS 206 Ca 0.23 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1a8t s HIS 206 Cb 0.19 0.47 0.00 0.00 1.11 0.00 0.00 32.58 34.35 1a8t s HIS 206 CO 0.52 -0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 1a8t n GLY 207 N 0.50 -0.02 3.85 -2.22 0.00 -1.26 -4.30 105.19 101.74 1a8t n GLY 207 Ca -0.09 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 1a8t n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8t s ASN 208 N -2.07 6.66 1.25 1.61 2.20 -1.26 -4.75 114.94 118.59 1a8t s ASN 208 Ca 0.00 1.48 -0.20 0.00 -0.94 0.00 0.00 52.86 53.20 1a8t s ASN 208 Cb 0.00 -2.47 0.30 0.00 -2.00 0.00 0.00 41.25 37.09 1a8t s ASN 208 CO 0.00 -0.49 1.06 -0.72 -2.94 0.00 0.00 177.10 174.02 1a8t s TYR 209 N -2.46 0.28 0.00 1.54 -0.85 -1.26 -4.58 117.35 110.01 1a8t s TYR 209 Ca 0.57 0.55 0.00 0.00 -0.52 0.00 0.00 57.07 57.67 1a8t s TYR 209 Cb -0.10 -3.30 0.00 0.00 0.38 0.00 0.00 41.96 38.94 1a8t s TYR 209 CO 0.27 -4.14 0.00 0.41 -1.52 0.00 0.00 175.55 170.58 1a8t n GLY 210 N -0.33 1.80 0.00 5.49 0.00 -0.98 -4.91 105.19 106.27 1a8t n GLY 210 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1a8t n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8t n GLY 211 N 0.00 5.93 0.99 -0.02 0.00 -1.26 -3.07 105.19 107.77 1a8t n GLY 211 Ca 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.34 1a8t n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8t n THR 212 N 0.00 1.03 0.52 2.61 -2.24 -1.26 -3.26 114.28 111.68 1a8t n THR 212 Ca 0.00 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1a8t n THR 212 Cb 0.00 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.06 1a8t n THR 212 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a8t n GLU 213 N 0.38 0.32 0.26 -0.78 1.02 -1.26 -3.25 120.64 117.33 1a8t n GLU 213 Ca 0.13 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 1a8t n GLU 213 Cb 0.57 -1.61 0.71 0.00 -0.02 0.00 0.00 31.44 31.09 1a8t n GLU 213 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1a8t h LEU 214 N 0.00 0.00 0.29 -4.62 3.38 -1.87 0.21 115.31 112.70 1a8t h LEU 214 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a8t h LEU 214 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1a8t h LEU 214 CO 0.00 0.07 -0.14 0.40 0.09 0.00 0.00 178.44 178.86 1a8t h ILE 215 N 0.00 0.58 0.00 1.22 2.04 -1.80 -2.28 117.51 117.28 1a8t h ILE 215 Ca -0.00 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1a8t h ILE 215 Cb 0.14 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1a8t h ILE 215 CO 0.01 0.13 -0.02 -0.33 0.00 0.00 0.00 178.15 177.94 1a8t h GLU 216 N -0.91 0.00 -0.07 2.37 5.08 -1.55 -2.08 114.58 117.43 1a8t h GLU 216 Ca -0.04 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 1a8t h GLU 216 Cb 0.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.78 1a8t h GLU 216 CO 0.06 0.02 -0.88 1.25 -1.00 0.00 0.00 179.01 178.46 1a8t h HIS 217 N 0.00 1.02 -0.28 4.33 2.76 -0.50 -3.08 115.15 119.40 1a8t h HIS 217 Ca -0.00 -0.51 -0.17 0.00 -2.20 0.00 0.00 60.37 57.49 1a8t h HIS 217 Cb 0.29 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1a8t h HIS 217 CO 0.00 1.34 -0.51 1.15 -1.30 0.00 0.00 177.93 178.61 1a8t h THR 218 N 0.41 1.29 -0.28 6.26 2.02 -1.02 -2.35 112.91 119.25 1a8t h THR 218 Ca -0.09 -1.71 0.04 0.00 0.77 0.00 0.00 66.41 65.42 1a8t h THR 218 Cb 1.53 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.52 1a8t h THR 218 CO 0.18 0.55 0.03 0.50 0.37 0.00 0.00 175.52 177.15 1a8t h LYS 219 N 0.61 0.13 0.00 6.66 3.64 -1.44 -1.07 116.57 125.10 1a8t h LYS 219 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1a8t h LYS 219 Cb 1.09 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1a8t h LYS 219 CO 0.11 0.08 0.00 0.94 -2.27 0.00 0.00 179.45 178.31 1a8t n GLN 220 N -5.12 0.00 -0.12 1.90 7.27 -1.16 -0.60 117.38 119.55 1a8t n GLN 220 Ca -0.01 0.64 -0.03 0.00 0.07 0.00 0.00 57.00 57.67 1a8t n GLN 220 Cb 0.13 -1.46 -0.03 0.00 2.41 0.00 0.00 30.24 31.29 1a8t n GLN 220 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1a8t n ILE 221 N -2.22 -0.19 -0.12 1.69 5.41 -0.89 0.22 119.36 123.26 1a8t n ILE 221 Ca 0.00 0.84 -0.05 0.00 1.00 0.00 0.00 62.75 64.54 1a8t n ILE 221 Cb 0.00 -1.05 0.02 0.00 -0.71 0.00 0.00 39.64 37.90 1a8t n ILE 221 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1a8t h VAL 222 N 0.00 0.64 -0.70 1.39 2.07 -0.70 -1.16 116.25 117.79 1a8t h VAL 222 Ca 0.04 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1a8t h VAL 222 Cb 0.12 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1a8t h VAL 222 CO -0.26 0.01 0.23 0.78 0.02 0.00 0.00 177.57 178.34 1a8t h ASN 223 N 0.03 1.00 -0.45 0.57 2.35 0.51 0.53 115.58 120.13 1a8t h ASN 223 Ca 0.19 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1a8t h ASN 223 Cb 0.29 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1a8t h ASN 223 CO -0.38 0.92 0.30 1.56 -1.65 0.00 0.00 177.43 178.18 1a8t h GLN 224 N 1.04 0.49 0.12 0.81 4.20 0.15 1.35 115.11 123.27 1a8t h GLN 224 Ca 0.23 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.58 1a8t h GLN 224 Cb 0.28 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1a8t h GLN 224 CO -0.01 0.33 -1.71 -0.92 -0.67 0.00 0.00 178.83 175.84 1a8t h TYR 225 N 0.51 0.45 0.57 2.96 5.03 -0.53 -2.30 116.97 123.66 1a8t h TYR 225 Ca 0.18 -0.33 -0.03 0.00 2.58 0.00 0.00 58.73 61.13 1a8t h TYR 225 Cb 0.08 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.35 1a8t h TYR 225 CO -0.00 1.49 -0.27 -0.84 -1.32 0.00 0.00 178.16 177.21 1a8t h ILE 226 N 0.07 0.00 0.00 1.81 3.07 0.55 -2.13 117.51 120.87 1a8t h ILE 226 Ca -0.31 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.77 1a8t h ILE 226 Cb 2.04 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1a8t h ILE 226 CO 0.14 0.00 0.41 -0.08 -1.05 0.00 0.00 178.15 177.57 1a8t h GLU 227 N -1.09 0.00 -0.45 0.16 4.81 0.16 0.50 114.58 118.68 1a8t h GLU 227 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1a8t h GLU 227 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1a8t h GLU 227 CO 0.13 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.86 1a8t n SER 228 N -2.34 3.41 0.00 1.04 2.88 -0.86 -4.52 113.62 113.22 1a8t n SER 228 Ca -0.01 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 1a8t n SER 228 Cb 0.44 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1a8t n SER 228 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a8t n THR 229 N 0.71 0.00 1.16 2.46 -2.24 0.14 -4.96 114.28 111.54 1a8t n THR 229 Ca 0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 1a8t n THR 229 Cb 0.56 -0.01 0.24 0.00 -2.10 0.00 0.00 70.33 69.01 1a8t n THR 229 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30