#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7a3h h VAL 5 N 0.00 0.80 -0.11 -3.33 2.07 -1.87 -0.81 116.25 113.00 7a3h h VAL 5 Ca 0.00 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 7a3h h VAL 5 Cb 0.00 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 7a3h h VAL 5 CO 0.00 0.06 -0.55 0.58 0.02 0.00 0.00 177.57 177.68 7a3h h VAL 6 N -0.47 1.36 -0.67 2.57 2.07 -1.70 -0.24 116.25 119.17 7a3h h VAL 6 Ca -0.03 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 7a3h h VAL 6 Cb 0.35 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 7a3h h VAL 6 CO 0.06 0.56 0.25 -0.08 0.02 0.00 0.00 177.57 178.37 7a3h h GLU 7 N 0.25 1.01 -0.03 1.57 4.81 -1.80 0.22 114.58 120.61 7a3h h GLU 7 Ca 0.00 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 7a3h h GLU 7 Cb 1.05 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 7a3h h GLU 7 CO 0.09 0.85 -0.04 1.49 -0.73 0.00 0.00 179.01 180.67 7a3h h GLU 8 N 0.95 0.08 0.02 1.92 4.81 -0.84 -3.37 114.58 118.16 7a3h h GLU 8 Ca 0.22 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 59.10 7a3h h GLU 8 Cb 0.23 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 7a3h h GLU 8 CO -0.01 0.60 -1.72 0.45 -0.73 0.00 0.00 179.01 177.59 7a3h h HIS 9 N -0.42 0.08 0.00 0.92 3.86 -1.07 -3.47 115.15 115.05 7a3h h HIS 9 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 7a3h h HIS 9 Cb 0.59 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 7a3h h HIS 9 CO 0.11 1.12 0.00 0.41 0.86 0.00 0.00 177.93 180.43 7a3h n GLY 10 N 1.61 3.30 3.64 2.45 0.00 0.78 -1.80 105.19 115.18 7a3h n GLY 10 Ca -0.18 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 7a3h n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 7a3h s GLN 11 N 0.00 3.94 0.33 1.61 2.00 -1.26 -4.80 119.66 121.48 7a3h s GLN 11 Ca 0.00 1.93 -0.13 0.00 -2.00 0.00 0.00 55.36 55.16 7a3h s GLN 11 Cb 0.00 -4.03 -0.08 0.00 0.80 0.00 0.00 33.01 29.70 7a3h s GLN 11 CO 0.00 -1.13 0.71 -0.51 -0.50 0.00 0.00 175.29 173.86 7a3h s LEU 12 N 4.82 4.02 0.29 3.68 1.43 -1.26 -1.98 118.68 129.69 7a3h s LEU 12 Ca 0.74 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.87 7a3h s LEU 12 Cb -0.29 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 41.95 7a3h s LEU 12 CO 0.30 -0.24 0.60 -0.94 0.23 0.00 0.00 176.35 176.30 7a3h s SER 13 N -2.54 0.01 -0.20 2.29 1.04 -0.58 -4.62 113.70 109.10 7a3h s SER 13 Ca 0.52 -0.95 -0.07 0.00 0.48 0.00 0.00 55.95 55.93 7a3h s SER 13 Cb -0.10 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 7a3h s SER 13 CO 0.22 -1.31 0.07 -0.63 0.98 0.00 0.00 173.24 172.56 7a3h s ILE 14 N -3.57 4.69 -0.09 -1.02 -1.09 -1.26 -1.09 121.20 117.77 7a3h s ILE 14 Ca 0.19 -0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 7a3h s ILE 14 Cb -0.03 -3.13 0.03 0.00 -1.58 0.00 0.00 42.46 37.74 7a3h s ILE 14 CO 0.10 0.43 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.65 7a3h s SER 15 N 0.68 1.89 -1.56 3.58 0.15 -0.27 -4.81 113.70 113.36 7a3h s SER 15 Ca 0.03 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.33 7a3h s SER 15 Cb -0.13 -0.67 0.10 0.00 -1.71 0.00 0.00 66.02 63.61 7a3h s SER 15 CO 0.02 -0.14 0.93 0.59 1.20 0.00 0.00 173.24 175.83 7a3h n ASN 16 N 4.96 -4.32 0.00 5.45 5.03 -1.26 -1.32 115.26 123.81 7a3h n ASN 16 Ca -0.11 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.51 7a3h n ASN 16 Cb 0.50 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.61 7a3h n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 7a3h n GLY 17 N -1.64 0.65 3.36 7.41 0.00 -1.26 -4.98 105.19 108.74 7a3h n GLY 17 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 7a3h n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7a3h s GLU 18 N -0.02 1.97 -0.01 1.61 0.41 -0.43 -3.96 118.70 118.27 7a3h s GLU 18 Ca 0.00 -1.02 -0.30 0.00 -0.41 0.00 0.00 54.97 53.24 7a3h s GLU 18 Cb 0.00 -2.05 -0.05 0.00 -1.78 0.00 0.00 34.13 30.25 7a3h s GLU 18 CO 0.00 0.54 1.27 -1.17 -0.49 0.00 0.00 175.26 175.41 7a3h s LEU 19 N -1.07 4.31 0.13 1.80 2.96 -1.26 -1.11 118.68 124.44 7a3h s LEU 19 Ca 0.12 1.97 0.04 0.00 -0.22 0.00 0.00 54.13 56.03 7a3h s LEU 19 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 7a3h s LEU 19 CO 0.02 -0.61 -0.09 0.68 -1.32 0.00 0.00 176.35 175.03 7a3h s VAL 20 N 2.01 1.05 0.44 1.68 -7.23 -0.25 -2.07 120.40 116.03 7a3h s VAL 20 Ca 0.59 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 7a3h s VAL 20 Cb -0.28 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 34.96 7a3h s VAL 20 CO 0.25 -0.77 0.60 -0.46 -0.31 0.00 0.00 175.10 174.41 7a3h n ASN 21 N -0.14 0.41 0.05 4.85 0.23 0.23 -1.53 115.26 119.37 7a3h n ASN 21 Ca -0.11 -1.44 0.10 0.00 -0.53 0.00 0.00 54.58 52.60 7a3h n ASN 21 Cb 0.61 -0.43 0.42 0.00 -2.08 0.00 0.00 39.78 38.30 7a3h n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 7a3h n GLU 22 N -2.20 0.09 -0.32 -3.83 0.28 -0.74 -0.86 120.64 113.06 7a3h n GLU 22 Ca 0.09 0.27 0.11 0.00 -0.16 0.00 0.00 57.16 57.46 7a3h n GLU 22 Cb 0.31 -1.66 0.28 0.00 1.43 0.00 0.00 31.44 31.80 7a3h n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 7a3h n ARG 23 N -1.83 2.73 -0.97 3.44 1.74 -1.26 -4.96 116.66 115.56 7a3h n ARG 23 Ca 0.04 -2.52 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 7a3h n ARG 23 Cb 0.24 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 7a3h n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 7a3h n GLY 24 N 1.43 0.50 3.85 -0.13 0.00 -0.04 -5.04 105.19 105.75 7a3h n GLY 24 Ca 0.22 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 7a3h n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7a3h s GLU 25 N -0.38 3.88 0.46 1.61 0.41 -1.26 -4.75 118.70 118.68 7a3h s GLU 25 Ca 0.00 0.35 -0.25 0.00 -0.41 0.00 0.00 54.97 54.67 7a3h s GLU 25 Cb 0.00 -3.06 -0.08 0.00 -1.78 0.00 0.00 34.13 29.21 7a3h s GLU 25 CO 0.00 0.58 1.39 1.04 -0.49 0.00 0.00 175.26 177.79 7a3h n GLN 26 N 1.20 2.12 -4.06 1.61 6.02 -1.26 -0.60 117.38 122.40 7a3h n GLN 26 Ca -0.09 0.76 -0.13 0.00 -0.01 0.00 0.00 57.00 57.53 7a3h n GLN 26 Cb 0.52 -2.58 -0.12 0.00 1.02 0.00 0.00 30.24 29.08 7a3h n GLN 26 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 7a3h s VAL 27 N -1.21 0.41 -0.13 5.09 -7.23 -0.88 -4.81 120.40 111.64 7a3h s VAL 27 Ca 0.63 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 7a3h s VAL 27 Cb -0.45 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.05 7a3h s VAL 27 CO 0.56 -0.26 -0.16 -1.58 -0.31 0.00 0.00 175.10 173.35 7a3h s GLN 28 N -1.12 2.41 -0.04 4.82 0.74 -1.26 -4.70 119.66 120.51 7a3h s GLN 28 Ca -0.08 -0.62 -0.13 0.00 0.05 0.00 0.00 55.36 54.59 7a3h s GLN 28 Cb -0.08 -2.09 -0.05 0.00 1.10 0.00 0.00 33.01 31.89 7a3h s GLN 28 CO 0.00 -0.13 0.34 -0.51 -0.55 0.00 0.00 175.29 174.44 7a3h s LEU 29 N 1.17 4.44 -0.02 3.68 1.43 -1.26 -4.99 118.68 123.12 7a3h s LEU 29 Ca -0.02 0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 7a3h s LEU 29 Cb -0.14 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.66 7a3h s LEU 29 CO -0.06 0.33 0.03 -0.54 0.23 0.00 0.00 176.35 176.34 7a3h s LYS 30 N -0.97 0.03 0.00 1.70 1.02 -1.25 -0.82 119.74 119.45 7a3h s LYS 30 Ca 0.21 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.38 7a3h s LYS 30 Cb -0.15 -0.33 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 7a3h s LYS 30 CO 0.11 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 7a3h n GLY 31 N 4.28 1.94 3.54 -3.33 0.00 -0.67 -1.96 105.19 108.99 7a3h n GLY 31 Ca -0.25 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 7a3h n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 7a3h s MET 32 N 0.07 2.13 -0.05 1.61 -1.94 -1.21 -1.36 119.30 118.55 7a3h s MET 32 Ca 0.00 -0.99 -0.09 0.00 -1.71 0.00 0.00 55.69 52.90 7a3h s MET 32 Cb 0.00 -2.28 -0.05 0.00 2.01 0.00 0.00 34.83 34.51 7a3h s MET 32 CO 0.00 0.53 0.25 0.45 -0.01 0.00 0.00 175.02 176.23 7a3h s SER 33 N -1.89 6.52 0.99 3.03 0.15 0.15 -0.98 113.70 121.67 7a3h s SER 33 Ca 0.19 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 7a3h s SER 33 Cb -0.11 -2.12 0.18 0.00 -1.71 0.00 0.00 66.02 62.27 7a3h s SER 33 CO 0.10 0.33 1.09 -0.94 1.20 0.00 0.00 173.24 175.03 7a3h s SER 34 N -1.28 2.46 0.44 5.45 1.04 0.01 -0.72 113.70 121.11 7a3h s SER 34 Ca 0.21 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.46 7a3h s SER 34 Cb -0.14 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.58 7a3h s SER 34 CO 0.10 -3.32 0.00 1.57 0.98 0.00 0.00 173.24 172.57 7a3h n HIS 35 N -4.36 -1.97 -1.94 5.02 -0.00 -1.26 -4.54 115.22 106.18 7a3h n HIS 35 Ca 0.08 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.84 7a3h n HIS 35 Cb 0.53 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.38 7a3h n HIS 35 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 7a3h s GLY 36 N -1.95 1.78 0.59 1.57 0.00 -1.26 -4.40 107.32 103.65 7a3h s GLY 36 Ca 0.00 1.38 0.37 0.00 0.00 0.00 0.00 44.72 46.47 7a3h s GLY 36 CO 0.00 2.55 2.13 1.41 0.00 0.00 0.00 173.10 179.19 7a3h h LEU 37 N 6.24 0.00 -0.17 0.66 3.38 -1.80 -0.53 115.31 123.09 7a3h h LEU 37 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 7a3h h LEU 37 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 7a3h h LEU 37 CO 0.87 0.02 0.00 0.06 0.09 0.00 0.00 178.44 179.48 7a3h h GLN 38 N 0.00 0.00 0.00 1.13 -0.00 -1.89 -3.17 115.11 111.19 7a3h h GLN 38 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 7a3h h GLN 38 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.77 7a3h h GLN 38 CO 0.00 0.00 -1.59 0.91 -0.00 0.00 0.00 178.83 178.15 7a3h n TRP 39 N -2.39 0.00 -2.23 0.06 8.01 -0.53 -4.86 117.44 115.51 7a3h n TRP 39 Ca 0.05 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.21 7a3h n TRP 39 Cb 0.40 -0.40 0.08 0.00 -2.01 0.00 0.00 31.31 29.39 7a3h n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 7a3h n TYR 40 N -2.90 0.88 0.32 -5.99 4.01 -0.32 -4.84 117.16 108.32 7a3h n TYR 40 Ca -0.19 -1.52 0.16 0.00 -0.16 0.00 0.00 57.90 56.19 7a3h n TYR 40 Cb 0.69 -0.24 0.68 0.00 -0.31 0.00 0.00 39.34 40.16 7a3h n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 7a3h h GLY 41 N 1.62 0.00 2.00 2.72 0.00 -1.70 -2.78 103.07 104.93 7a3h h GLY 41 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 7a3h h GLY 41 CO 0.23 0.00 -0.02 0.06 0.00 0.00 0.00 176.54 176.81 7a3h h GLN 42 N 0.00 0.00 -0.00 4.80 -0.00 -1.88 -1.53 115.11 116.49 7a3h h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 7a3h h GLN 42 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 7a3h h GLN 42 CO 0.00 0.02 -0.01 1.19 -0.00 0.00 0.00 178.83 180.03 7a3h n PHE 43 N -3.20 0.00 -3.75 0.06 3.72 -1.05 -4.65 117.46 108.58 7a3h n PHE 43 Ca -0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.01 7a3h n PHE 43 Cb 0.18 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 7a3h n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 7a3h s VAL 44 N -2.10 3.46 0.16 -4.37 1.01 -0.58 -4.77 120.40 113.22 7a3h s VAL 44 Ca 0.42 -1.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.35 7a3h s VAL 44 Cb 0.21 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.40 7a3h s VAL 44 CO 0.38 -0.57 0.75 0.54 0.00 0.00 0.00 175.10 176.20 7a3h s ASN 45 N 1.83 -0.39 0.21 3.32 2.20 -1.26 -4.88 114.94 115.97 7a3h s ASN 45 Ca 0.05 -0.22 -0.10 0.00 -0.94 0.00 0.00 52.86 51.65 7a3h s ASN 45 Cb -0.22 0.57 0.28 0.00 -2.00 0.00 0.00 41.25 39.88 7a3h s ASN 45 CO -0.02 -0.99 1.74 0.22 -2.94 0.00 0.00 177.10 175.10 7a3h h TYR 46 N 2.00 0.35 -0.46 1.54 3.20 -1.95 -1.13 116.97 120.53 7a3h h TYR 46 Ca -0.26 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.56 7a3h h TYR 46 Cb 1.27 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 7a3h h TYR 46 CO 0.31 0.07 -0.01 1.49 -1.64 0.00 0.00 178.16 178.38 7a3h h GLU 47 N 0.37 0.82 -0.38 1.82 4.81 -1.95 0.14 114.58 120.21 7a3h h GLU 47 Ca 0.31 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 7a3h h GLU 47 Cb 0.40 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 7a3h h GLU 47 CO -0.33 0.88 -0.28 0.66 -0.73 0.00 0.00 179.01 179.21 7a3h h SER 48 N 0.66 0.83 -0.38 1.04 4.64 -1.44 -1.19 113.55 117.71 7a3h h SER 48 Ca 0.13 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 7a3h h SER 48 Cb 0.52 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 7a3h h SER 48 CO 0.03 1.06 -0.08 -0.03 -0.87 0.00 0.00 176.83 176.94 7a3h h MET 49 N 0.69 0.82 -0.64 4.77 1.85 -1.00 -0.30 114.93 121.11 7a3h h MET 49 Ca 0.08 -0.26 -0.06 0.00 -0.61 0.00 0.00 59.70 58.85 7a3h h MET 49 Cb 0.82 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.75 7a3h h MET 49 CO 0.07 0.87 0.15 -0.22 -0.40 0.00 0.00 176.91 177.38 7a3h h LYS 50 N 0.74 1.03 -0.44 0.39 3.64 -0.50 0.15 116.57 121.59 7a3h h LYS 50 Ca 0.13 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 7a3h h LYS 50 Cb 0.56 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 7a3h h LYS 50 CO 0.03 0.93 0.19 2.35 -2.27 0.00 0.00 179.45 180.69 7a3h h TRP 51 N 0.96 0.65 -0.75 1.91 2.91 -0.93 0.67 115.95 121.36 7a3h h TRP 51 Ca 0.20 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.19 7a3h h TRP 51 Cb 0.37 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 7a3h h TRP 51 CO 0.03 0.55 0.50 -0.07 -1.03 0.00 0.00 178.44 178.41 7a3h h LEU 52 N 0.56 0.85 -0.13 0.65 3.38 -0.81 0.20 115.31 120.01 7a3h h LEU 52 Ca 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 7a3h h LEU 52 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 7a3h h LEU 52 CO -0.01 0.61 0.08 -0.09 0.09 0.00 0.00 178.44 179.11 7a3h h ARG 53 N 1.00 0.17 0.21 1.13 2.43 -0.55 -1.20 114.38 117.57 7a3h h ARG 53 Ca 0.28 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.11 7a3h h ARG 53 Cb -0.09 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.44 7a3h h ARG 53 CO -0.07 0.17 -1.47 -0.44 -1.51 0.00 0.00 179.97 176.64 7a3h h ASP 54 N 0.13 0.68 0.11 -3.80 3.32 -0.63 -2.31 116.42 113.92 7a3h h ASP 54 Ca 0.05 -0.78 -0.37 0.00 0.02 0.00 0.00 57.03 55.95 7a3h h ASP 54 Cb 0.04 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 7a3h h ASP 54 CO -0.01 1.62 -2.17 -0.67 -1.72 0.00 0.00 179.24 176.29 7a3h n ASP 55 N -3.63 1.77 0.01 6.45 2.03 0.66 -4.44 116.55 119.39 7a3h n ASP 55 Ca -0.16 0.09 -0.01 0.00 0.52 0.00 0.00 54.79 55.23 7a3h n ASP 55 Cb 1.08 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.90 7a3h n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 7a3h n TRP 56 N -3.30 0.75 -0.61 -0.67 7.02 -0.67 -4.91 117.44 115.05 7a3h n TRP 56 Ca -0.35 0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 7a3h n TRP 56 Cb 1.04 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 7a3h n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 7a3h n GLY 57 N 1.44 0.62 3.73 6.99 0.00 -0.54 -2.64 105.19 114.80 7a3h n GLY 57 Ca -0.13 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 7a3h n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 7a3h s ILE 58 N -2.00 2.22 0.00 -0.61 -4.36 -0.99 -4.93 121.20 110.54 7a3h s ILE 58 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.52 7a3h s ILE 58 Cb 0.00 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.72 7a3h s ILE 58 CO 0.00 -0.04 0.72 -0.46 0.24 0.00 0.00 174.94 175.40 7a3h n ASN 59 N -1.97 1.12 -3.69 4.36 0.23 -0.83 -4.54 115.26 109.94 7a3h n ASN 59 Ca 0.15 -1.50 -0.14 0.00 -0.53 0.00 0.00 54.58 52.55 7a3h n ASN 59 Cb 0.49 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.11 7a3h n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 7a3h s VAL 60 N -0.50 0.03 -0.03 3.53 0.11 -1.25 -1.71 120.40 120.58 7a3h s VAL 60 Ca 0.00 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 7a3h s VAL 60 Cb 0.00 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 7a3h s VAL 60 CO 0.00 -0.13 -0.09 0.12 -3.33 0.00 0.00 175.10 171.68 7a3h s PHE 61 N -0.88 0.94 -0.20 1.54 5.36 -0.61 -3.31 117.98 120.82 7a3h s PHE 61 Ca -0.09 -0.24 -0.05 0.00 -0.96 0.00 0.00 56.93 55.59 7a3h s PHE 61 Cb -0.03 -0.68 -0.02 0.00 -0.34 0.00 0.00 43.02 41.95 7a3h s PHE 61 CO 0.05 -0.11 -0.02 0.50 -1.46 0.00 0.00 175.22 174.18 7a3h s ARG 62 N 0.27 3.54 -0.51 10.12 3.52 -0.16 -0.80 118.95 134.94 7a3h s ARG 62 Ca -0.04 -0.56 -0.18 0.00 -0.13 0.00 0.00 55.73 54.83 7a3h s ARG 62 Cb -0.09 -3.04 0.07 0.00 -1.56 0.00 0.00 34.95 30.33 7a3h s ARG 62 CO 0.01 -0.04 0.54 0.00 -0.81 0.00 0.00 175.30 175.00 7a3h s ALA 63 N 1.10 3.47 -0.90 6.12 0.00 -0.19 -0.81 121.76 130.55 7a3h s ALA 63 Ca 0.02 -1.99 -0.19 0.00 0.00 0.00 0.00 51.96 49.79 7a3h s ALA 63 Cb -0.14 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 19.83 7a3h s ALA 63 CO 0.01 -1.95 1.11 0.00 0.00 0.00 0.00 175.76 174.93 7a3h s ALA 64 N 2.20 3.34 -0.90 0.00 0.00 -1.26 -1.94 121.76 123.19 7a3h s ALA 64 Ca 0.10 -2.68 -0.18 0.00 0.00 0.00 0.00 51.96 49.20 7a3h s ALA 64 Cb -0.22 -4.03 0.14 0.00 0.00 0.00 0.00 23.12 19.01 7a3h s ALA 64 CO 0.09 -2.97 1.06 1.41 0.00 0.00 0.00 175.76 175.35 7a3h s MET 65 N 2.83 3.59 0.38 0.00 1.75 -0.45 -2.32 119.30 125.07 7a3h s MET 65 Ca 0.32 -1.86 -0.25 0.00 -1.25 0.00 0.00 55.69 52.65 7a3h s MET 65 Cb -0.06 -4.82 -0.12 0.00 2.84 0.00 0.00 34.83 32.67 7a3h s MET 65 CO -0.08 -1.69 0.94 0.66 -0.65 0.00 0.00 175.02 174.20 7a3h n TYR 66 N 6.14 0.94 -0.10 4.11 4.02 -1.26 -0.90 117.16 130.12 7a3h n TYR 66 Ca 0.21 0.62 -0.19 0.00 -0.01 0.00 0.00 57.90 58.53 7a3h n TYR 66 Cb 0.49 -2.20 -0.11 0.00 -0.02 0.00 0.00 39.34 37.50 7a3h n TYR 66 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 7a3h h THR 67 N 1.57 0.96 -3.04 -0.72 1.35 -1.89 0.32 112.91 111.47 7a3h h THR 67 Ca -0.42 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 7a3h h THR 67 Cb 1.35 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 7a3h h THR 67 CO 0.57 0.33 0.00 -0.24 -0.25 0.00 0.00 175.52 175.93 7a3h n SER 68 N -4.48 0.00 -3.19 5.36 2.88 -1.26 -1.10 113.62 111.84 7a3h n SER 68 Ca -0.27 -0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 56.93 7a3h n SER 68 Cb 0.61 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.11 7a3h n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 7a3h n SER 69 N -0.35 -5.84 0.00 -3.46 7.64 -1.26 -0.92 113.62 109.44 7a3h n SER 69 Ca 0.00 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.52 7a3h n SER 69 Cb 0.00 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 7a3h n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 7a3h n GLY 70 N -1.57 0.66 0.00 0.23 0.00 -1.26 -5.02 105.19 98.24 7a3h n GLY 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 7a3h n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7a3h n GLY 71 N -2.63 0.93 0.33 -0.02 0.00 -0.09 -4.48 105.19 99.22 7a3h n GLY 71 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.57 7a3h n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 7a3h h TYR 72 N 0.00 0.98 -0.52 1.61 3.20 -0.68 0.57 116.97 122.13 7a3h h TYR 72 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 7a3h h TYR 72 Cb 0.00 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 7a3h h TYR 72 CO 0.00 0.47 0.06 0.82 -1.64 0.00 0.00 178.16 177.87 7a3h h ILE 73 N 0.94 1.24 0.13 1.81 1.08 -1.37 -2.53 117.51 118.82 7a3h h ILE 73 Ca 0.39 -0.93 -0.28 0.00 -0.39 0.00 0.00 64.86 63.65 7a3h h ILE 73 Cb 0.24 0.78 0.01 0.00 -3.07 0.00 0.00 36.82 34.78 7a3h h ILE 73 CO -0.20 0.34 -1.25 0.44 -0.69 0.00 0.00 178.15 176.79 7a3h h ASP 74 N 0.79 0.44 -1.82 1.72 3.32 -1.52 -3.43 116.42 115.92 7a3h h ASP 74 Ca 0.16 -0.47 -0.23 0.00 0.02 0.00 0.00 57.03 56.51 7a3h h ASP 74 Cb 0.39 -0.14 -0.30 0.00 0.22 0.00 0.00 39.33 39.50 7a3h h ASP 74 CO 0.01 1.37 -0.57 -0.62 -1.72 0.00 0.00 179.24 177.71 7a3h s ASP 75 N -7.16 0.75 0.00 6.45 -1.08 0.11 -5.02 116.67 110.71 7a3h s ASP 75 Ca -0.04 -0.53 0.22 0.00 -0.52 0.00 0.00 52.55 51.68 7a3h s ASP 75 Cb 0.07 0.93 1.17 0.00 -1.46 0.00 0.00 42.92 43.63 7a3h s ASP 75 CO 0.89 -0.36 1.73 -0.81 0.52 0.00 0.00 175.17 177.14 7a3h n PRO 76 N 5.30 0.38 0.30 4.34 -0.04 -0.96 -3.35 135.00 140.97 7a3h n PRO 76 Ca 0.00 0.06 0.19 0.00 -0.04 0.00 0.00 63.50 63.72 7a3h n PRO 76 Cb 0.48 -1.50 1.02 0.00 -0.04 0.00 0.00 33.50 33.47 7a3h n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 7a3h h SER 77 N 0.00 0.00 0.25 3.54 4.64 -1.93 -1.23 113.55 118.82 7a3h h SER 77 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7a3h h SER 77 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 7a3h h SER 77 CO 0.00 0.00 -0.01 1.62 -0.87 0.00 0.00 176.83 177.57 7a3h h VAL 78 N 0.00 0.07 -0.18 0.95 3.04 -1.93 -0.91 116.25 117.30 7a3h h VAL 78 Ca 0.02 -0.15 0.05 0.00 -1.01 0.00 0.00 66.70 65.61 7a3h h VAL 78 Cb 0.19 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 7a3h h VAL 78 CO -0.00 0.01 0.13 0.07 -1.01 0.00 0.00 177.57 176.77 7a3h h LYS 79 N 0.00 0.00 0.00 4.17 2.10 -1.52 -1.24 116.57 120.08 7a3h h LYS 79 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 7a3h h LYS 79 Cb 0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 7a3h h LYS 79 CO 0.00 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 178.03 7a3h h GLU 80 N 0.00 0.00 -0.21 0.07 4.39 -1.37 -1.60 114.58 115.86 7a3h h GLU 80 Ca 0.08 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 7a3h h GLU 80 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 7a3h h GLU 80 CO -0.00 0.36 -0.50 -0.22 -1.16 0.00 0.00 179.01 177.49 7a3h h LYS 81 N 0.00 0.57 -0.37 2.33 1.63 -1.37 -0.78 116.57 118.57 7a3h h LYS 81 Ca -0.00 -0.33 0.03 0.00 -0.85 0.00 0.00 60.65 59.49 7a3h h LYS 81 Cb 0.77 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 7a3h h LYS 81 CO 0.05 0.93 0.19 0.28 -3.45 0.00 0.00 179.45 177.45 7a3h h VAL 82 N 0.45 0.99 -0.56 2.00 2.07 -1.09 -1.22 116.25 118.89 7a3h h VAL 82 Ca 0.02 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.44 7a3h h VAL 82 Cb 1.03 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 7a3h h VAL 82 CO 0.09 0.07 0.31 0.11 0.02 0.00 0.00 177.57 178.18 7a3h h LYS 83 N 0.39 0.59 -0.66 1.57 1.57 -1.08 -0.22 116.57 118.74 7a3h h LYS 83 Ca 0.16 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 7a3h h LYS 83 Cb 0.06 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 7a3h h LYS 83 CO -0.10 0.39 0.35 1.49 -0.57 0.00 0.00 179.45 181.01 7a3h h GLU 84 N 0.61 0.62 -0.51 3.15 4.81 -0.73 -0.28 114.58 122.25 7a3h h GLU 84 Ca 0.24 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 7a3h h GLU 84 Cb 0.09 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 7a3h h GLU 84 CO -0.13 0.41 0.14 0.00 -0.73 0.00 0.00 179.01 178.70 7a3h h ALA 85 N 1.36 0.67 -0.36 2.92 0.00 -0.51 -0.56 119.26 122.78 7a3h h ALA 85 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 7a3h h ALA 85 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 7a3h h ALA 85 CO -0.20 0.34 0.18 0.28 0.00 0.00 0.00 179.25 179.85 7a3h h VAL 86 N 0.70 1.16 -0.67 0.00 2.07 -0.72 -0.88 116.25 117.91 7a3h h VAL 86 Ca 0.16 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 7a3h h VAL 86 Cb 0.30 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 7a3h h VAL 86 CO -0.00 0.17 0.23 -0.33 0.02 0.00 0.00 177.57 177.66 7a3h h GLU 87 N 0.45 1.01 -0.58 1.57 5.08 -0.93 -0.73 114.58 120.46 7a3h h GLU 87 Ca 0.13 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 7a3h h GLU 87 Cb 0.11 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 7a3h h GLU 87 CO -0.02 0.85 0.29 0.00 -1.00 0.00 0.00 179.01 179.13 7a3h h ALA 88 N 1.27 0.74 -0.79 3.43 0.00 -0.85 -0.42 119.26 122.64 7a3h h ALA 88 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 7a3h h ALA 88 Cb 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 7a3h h ALA 88 CO -0.01 0.29 0.34 0.00 0.00 0.00 0.00 179.25 179.87 7a3h h ALA 89 N 1.12 1.03 -0.12 0.00 0.00 -0.65 0.83 119.26 121.47 7a3h h ALA 89 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 7a3h h ALA 89 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 7a3h h ALA 89 CO -0.03 0.63 0.08 0.82 0.00 0.00 0.00 179.25 180.75 7a3h h ILE 90 N 1.14 1.04 0.00 0.00 2.04 -0.87 0.57 117.51 121.43 7a3h h ILE 90 Ca 0.27 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 7a3h h ILE 90 Cb 0.17 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 7a3h h ILE 90 CO -0.03 0.04 -0.24 0.44 0.00 0.00 0.00 178.15 178.36 7a3h h ASP 91 N 0.15 0.00 0.25 1.72 3.32 -0.57 -2.66 116.42 118.63 7a3h h ASP 91 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 7a3h h ASP 91 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 7a3h h ASP 91 CO -0.01 0.24 -0.38 0.18 -1.72 0.00 0.00 179.24 177.55 7a3h n LEU 92 N -4.18 1.04 -2.93 1.55 4.77 0.24 -4.97 117.00 112.53 7a3h n LEU 92 Ca -0.02 -0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 55.50 7a3h n LEU 92 Cb 0.30 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 7a3h n LEU 92 CO 0.37 0.21 0.17 -0.67 -1.33 0.00 0.00 177.39 176.13 7a3h n ASP 93 N -0.80 -4.54 -4.47 -1.43 2.03 0.09 -4.55 116.55 102.88 7a3h n ASP 93 Ca 0.10 -0.44 -0.23 0.00 0.52 0.00 0.00 54.79 54.74 7a3h n ASP 93 Cb 0.36 -4.08 -0.10 0.00 -0.72 0.00 0.00 41.12 36.57 7a3h n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 7a3h s ILE 94 N -3.26 1.72 0.63 5.18 -4.36 -0.58 -1.76 121.20 118.77 7a3h s ILE 94 Ca 0.34 -2.11 -0.10 0.00 -0.26 0.00 0.00 60.65 58.52 7a3h s ILE 94 Cb -0.15 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.94 7a3h s ILE 94 CO 0.57 -0.21 1.02 -0.31 0.24 0.00 0.00 174.94 176.25 7a3h s TYR 95 N -2.95 3.53 -0.06 1.37 2.02 -0.69 -4.38 117.35 116.19 7a3h s TYR 95 Ca 0.32 1.15 -0.04 0.00 -0.37 0.00 0.00 57.07 58.14 7a3h s TYR 95 Cb 0.05 -2.76 0.03 0.00 -0.40 0.00 0.00 41.96 38.87 7a3h s TYR 95 CO 0.14 -0.77 0.14 0.54 -1.57 0.00 0.00 175.55 174.03 7a3h s VAL 96 N -3.17 -0.03 -0.23 0.71 0.11 -0.11 -1.57 120.40 116.11 7a3h s VAL 96 Ca 0.55 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.62 7a3h s VAL 96 Cb -0.11 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 7a3h s VAL 96 CO 0.52 0.04 0.11 -0.63 -3.33 0.00 0.00 175.10 171.81 7a3h s ILE 97 N 0.73 4.83 -0.52 7.04 1.01 0.02 -0.85 121.20 133.46 7a3h s ILE 97 Ca -0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 7a3h s ILE 97 Cb -0.07 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.21 7a3h s ILE 97 CO -0.04 0.36 0.70 -0.63 0.00 0.00 0.00 174.94 175.33 7a3h s ILE 98 N 1.17 4.76 -0.34 2.92 1.01 -0.12 -1.02 121.20 129.59 7a3h s ILE 98 Ca 0.06 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 7a3h s ILE 98 Cb -0.14 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.00 7a3h s ILE 98 CO 0.04 -0.89 0.14 -0.62 0.00 0.00 0.00 174.94 173.62 7a3h s ASP 99 N 2.76 5.45 -0.83 3.58 2.15 -0.82 -0.45 116.67 128.50 7a3h s ASP 99 Ca 0.18 -1.00 -0.25 0.00 0.43 0.00 0.00 52.55 51.91 7a3h s ASP 99 Cb -0.18 -1.93 0.02 0.00 -0.30 0.00 0.00 42.92 40.53 7a3h s ASP 99 CO 0.13 -0.32 1.49 0.86 -0.17 0.00 0.00 175.17 177.16 7a3h s TRP 100 N 1.48 2.22 -1.18 -5.34 -0.11 -0.29 -1.34 118.94 114.38 7a3h s TRP 100 Ca 0.01 -0.12 -0.10 0.00 1.22 0.00 0.00 56.10 57.11 7a3h s TRP 100 Cb -0.19 -4.51 0.22 0.00 -1.50 0.00 0.00 33.47 27.49 7a3h s TRP 100 CO 0.04 -2.03 1.49 1.58 -4.62 0.00 0.00 176.95 173.42 7a3h n HIS 101 N 10.21 3.99 -2.35 5.86 -0.00 -0.08 -1.51 115.22 131.35 7a3h n HIS 101 Ca 0.20 -3.19 -0.34 0.00 0.46 0.00 0.00 57.72 54.84 7a3h n HIS 101 Cb 0.50 -1.84 -0.01 0.00 -0.12 0.00 0.00 29.99 28.52 7a3h n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 7a3h s ILE 102 N -0.24 3.44 0.00 3.57 -4.36 -1.26 -3.00 121.20 119.34 7a3h s ILE 102 Ca 0.37 0.88 0.00 0.00 -0.26 0.00 0.00 60.65 61.64 7a3h s ILE 102 Cb 0.00 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.36 7a3h s ILE 102 CO 0.00 -0.21 0.00 -0.11 0.24 0.00 0.00 174.94 174.86 7a3h n LEU 103 N -1.23 0.00 0.10 0.37 7.94 -1.26 -3.08 117.00 119.84 7a3h n LEU 103 Ca 0.11 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.01 7a3h n LEU 103 Cb 0.52 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.80 7a3h n LEU 103 CO 0.42 0.00 0.82 0.77 -1.11 0.00 0.00 177.39 178.29 7a3h h SER 104 N 0.00 0.26 -0.99 1.96 4.64 -1.92 -3.11 113.55 114.39 7a3h h SER 104 Ca 0.00 -0.07 -0.68 0.00 -0.47 0.00 0.00 61.79 60.57 7a3h h SER 104 Cb 0.00 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 61.93 7a3h h SER 104 CO 0.00 0.47 2.12 1.51 -0.87 0.00 0.00 176.83 180.06 7a3h s ASP 105 N -6.87 6.86 0.33 4.97 -4.77 -1.26 -4.82 116.67 111.11 7a3h s ASP 105 Ca -0.05 -2.49 0.25 0.00 -3.30 0.00 0.00 52.55 46.96 7a3h s ASP 105 Cb 0.15 -2.56 0.67 0.00 -1.09 0.00 0.00 42.92 40.08 7a3h s ASP 105 CO 0.75 -1.13 1.72 -0.55 0.70 0.00 0.00 175.17 176.65 7a3h h ASN 106 N 7.56 0.00 -3.68 2.11 -1.07 -1.84 -3.40 115.58 115.25 7a3h h ASN 106 Ca 0.43 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 56.16 7a3h h ASN 106 Cb 0.87 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.93 7a3h h ASN 106 CO 1.44 0.00 -0.57 -0.62 0.07 0.00 0.00 177.43 177.75 7a3h s ASP 107 N -5.26 5.58 0.59 6.14 -1.08 -1.26 -1.68 116.67 119.70 7a3h s ASP 107 Ca 0.08 -0.08 0.40 0.00 -0.52 0.00 0.00 52.55 52.43 7a3h s ASP 107 Cb 0.09 -2.01 2.09 0.00 -1.46 0.00 0.00 42.92 41.63 7a3h s ASP 107 CO 0.61 -0.00 2.21 1.55 0.52 0.00 0.00 175.17 180.05 7a3h h PRO 108 N 8.02 0.00 0.00 4.34 0.13 -1.91 -1.85 132.00 140.72 7a3h h PRO 108 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 7a3h h PRO 108 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 7a3h h PRO 108 CO 0.59 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.45 7a3h h ASN 109 N 0.00 0.00 -0.41 1.44 2.35 -1.94 -3.20 115.58 113.83 7a3h h ASN 109 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 7a3h h ASN 109 Cb 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 7a3h h ASN 109 CO 0.00 0.00 0.24 0.40 -1.65 0.00 0.00 177.43 176.42 7a3h h ILE 110 N 0.00 1.05 -0.58 2.81 2.04 -1.70 -2.76 117.51 118.37 7a3h h ILE 110 Ca 0.00 -0.17 -0.38 0.00 1.00 0.00 0.00 64.86 65.31 7a3h h ILE 110 Cb 0.40 0.52 -0.25 0.00 -0.74 0.00 0.00 36.82 36.75 7a3h h ILE 110 CO 0.00 0.09 -0.23 -1.22 0.00 0.00 0.00 178.15 176.79 7a3h n TYR 111 N -4.85 1.97 -0.06 1.37 4.01 -1.23 -4.78 117.16 113.58 7a3h n TYR 111 Ca 0.01 -2.06 -0.01 0.00 -0.16 0.00 0.00 57.90 55.68 7a3h n TYR 111 Cb 0.06 -0.58 0.25 0.00 -0.31 0.00 0.00 39.34 38.76 7a3h n TYR 111 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 7a3h h LYS 112 N 1.59 0.67 -0.37 -0.72 2.10 -1.48 0.27 116.57 118.63 7a3h h LYS 112 Ca 0.32 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 7a3h h LYS 112 Cb 1.44 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 7a3h h LYS 112 CO 0.69 0.64 0.14 0.93 -2.00 0.00 0.00 179.45 179.85 7a3h h GLU 113 N 0.65 0.56 -0.67 0.07 4.39 -1.86 -0.55 114.58 117.17 7a3h h GLU 113 Ca 0.14 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 7a3h h GLU 113 Cb 0.30 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 7a3h h GLU 113 CO 0.00 0.55 0.20 0.93 -1.16 0.00 0.00 179.01 179.54 7a3h h GLU 114 N 0.46 1.02 -0.48 2.33 3.07 -1.83 -2.20 114.58 116.95 7a3h h GLU 114 Ca 0.12 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 7a3h h GLU 114 Cb 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 7a3h h GLU 114 CO -0.01 0.88 0.25 0.00 -1.40 0.00 0.00 179.01 178.73 7a3h h ALA 115 N 1.23 0.62 -0.50 3.43 0.00 -0.61 -0.22 119.26 123.21 7a3h h ALA 115 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 7a3h h ALA 115 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 7a3h h ALA 115 CO -0.01 0.15 0.32 0.87 0.00 0.00 0.00 179.25 180.58 7a3h h LYS 116 N 0.63 0.67 -0.56 0.00 1.57 -0.92 0.33 116.57 118.29 7a3h h LYS 116 Ca 0.17 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 7a3h h LYS 116 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 7a3h h LYS 116 CO -0.03 0.47 0.04 -0.44 -0.57 0.00 0.00 179.45 178.92 7a3h h ASP 117 N 0.68 0.93 -0.17 0.86 3.32 -1.18 -0.01 116.42 120.85 7a3h h ASP 117 Ca 0.18 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 7a3h h ASP 117 Cb -0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 7a3h h ASP 117 CO -0.04 0.98 0.07 0.15 -1.72 0.00 0.00 179.24 178.69 7a3h h PHE 118 N 0.84 0.26 0.00 4.55 3.57 -0.79 -1.76 116.94 123.62 7a3h h PHE 118 Ca 0.16 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 7a3h h PHE 118 Cb 0.48 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 7a3h h PHE 118 CO 0.04 0.32 -0.45 0.74 -2.23 0.00 0.00 178.31 176.73 7a3h h PHE 119 N 0.13 0.00 -0.11 0.41 0.04 -0.84 -0.28 116.94 116.29 7a3h h PHE 119 Ca 0.06 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.84 7a3h h PHE 119 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 7a3h h PHE 119 CO -0.02 0.45 0.00 0.22 -0.60 0.00 0.00 178.31 178.37 7a3h h ASP 120 N 0.00 -0.03 -0.14 2.17 3.58 -0.82 -1.07 116.42 120.11 7a3h h ASP 120 Ca -0.00 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 7a3h h ASP 120 Cb 0.90 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 7a3h h ASP 120 CO 0.06 0.00 0.08 -0.08 -2.88 0.00 0.00 179.24 176.42 7a3h h GLU 121 N 0.05 0.19 -0.57 0.28 4.81 -0.84 -0.38 114.58 118.12 7a3h h GLU 121 Ca 0.05 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 7a3h h GLU 121 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 7a3h h GLU 121 CO -0.08 0.19 -0.00 0.52 -0.73 0.00 0.00 179.01 178.90 7a3h h MET 122 N 0.14 1.01 0.00 1.92 2.86 -1.02 -1.05 114.93 118.79 7a3h h MET 122 Ca 0.05 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.25 7a3h h MET 122 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 7a3h h MET 122 CO -0.01 1.01 -0.55 0.66 1.06 0.00 0.00 176.91 179.08 7a3h h SER 123 N 0.90 0.00 -0.36 1.22 4.64 -1.11 -0.45 113.55 118.39 7a3h h SER 123 Ca 0.16 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 7a3h h SER 123 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 7a3h h SER 123 CO 0.03 0.55 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.38 7a3h h GLU 124 N 0.00 0.68 -0.23 4.77 4.81 -0.82 0.40 114.58 124.19 7a3h h GLU 124 Ca -0.01 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 7a3h h GLU 124 Cb 1.14 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 7a3h h GLU 124 CO 0.07 0.84 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.86 7a3h h LEU 125 N 0.48 0.63 -1.79 1.64 3.38 -0.99 -3.38 115.31 115.27 7a3h h LEU 125 Ca 0.09 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.57 7a3h h LEU 125 Cb 0.59 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.16 7a3h h LEU 125 CO 0.03 0.99 0.00 -1.22 0.09 0.00 0.00 178.44 178.33 7a3h n TYR 126 N -4.35 0.04 0.36 1.13 4.01 -0.20 -4.73 117.16 113.43 7a3h n TYR 126 Ca -0.05 -0.18 0.07 0.00 -0.16 0.00 0.00 57.90 57.58 7a3h n TYR 126 Cb 0.45 -0.02 0.31 0.00 -0.31 0.00 0.00 39.34 39.77 7a3h n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 7a3h n GLY 127 N 0.01 -0.96 1.72 2.72 0.00 0.13 -1.73 105.19 107.08 7a3h n GLY 127 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 7a3h n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 7a3h n ASP 128 N -1.71 4.21 -4.51 1.61 2.03 -1.26 -4.72 116.55 112.19 7a3h n ASP 128 Ca 0.02 -3.32 -0.32 0.00 0.52 0.00 0.00 54.79 51.70 7a3h n ASP 128 Cb 0.14 -0.71 -0.12 0.00 -0.72 0.00 0.00 41.12 39.72 7a3h n ASP 128 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 7a3h s TYR 129 N -3.04 2.71 -1.61 -0.67 2.02 -0.71 -5.03 117.35 111.02 7a3h s TYR 129 Ca 0.52 -0.16 0.30 0.00 -0.37 0.00 0.00 57.07 57.36 7a3h s TYR 129 Cb 0.42 -1.55 1.40 0.00 -0.40 0.00 0.00 41.96 41.83 7a3h s TYR 129 CO 0.10 0.29 1.97 -0.35 -1.57 0.00 0.00 175.55 175.98 7a3h n PRO 130 N 1.69 0.63 0.20 -1.71 -0.04 -1.26 -3.88 135.00 130.63 7a3h n PRO 130 Ca -0.16 -0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.25 7a3h n PRO 130 Cb 0.52 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.81 7a3h n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 7a3h h ASN 131 N 0.32 0.00 -3.45 3.54 4.21 -1.89 -3.43 115.58 114.89 7a3h h ASN 131 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 7a3h h ASN 131 Cb 0.30 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.46 7a3h h ASN 131 CO 0.00 0.29 0.14 -0.69 -1.29 0.00 0.00 177.43 175.88 7a3h s VAL 132 N -3.46 4.56 -0.08 2.81 1.01 -1.25 -0.94 120.40 123.05 7a3h s VAL 132 Ca 0.02 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.61 7a3h s VAL 132 Cb 0.09 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.40 7a3h s VAL 132 CO 0.67 0.47 -0.12 -0.63 0.00 0.00 0.00 175.10 175.49 7a3h s ILE 133 N -0.74 1.18 -0.22 2.22 1.01 -0.03 -4.22 121.20 120.39 7a3h s ILE 133 Ca 0.36 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 7a3h s ILE 133 Cb -0.22 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 7a3h s ILE 133 CO 0.24 0.37 0.17 -0.31 0.00 0.00 0.00 174.94 175.41 7a3h s TYR 134 N 0.93 3.35 -0.37 3.97 2.02 -0.50 -0.94 117.35 125.81 7a3h s TYR 134 Ca -0.09 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 7a3h s TYR 134 Cb -0.15 -2.25 0.10 0.00 -0.40 0.00 0.00 41.96 39.26 7a3h s TYR 134 CO 0.00 0.13 0.12 -2.00 -1.57 0.00 0.00 175.55 172.23 7a3h s GLU 135 N 0.86 1.83 0.06 -0.62 2.12 0.40 -0.12 118.70 123.23 7a3h s GLU 135 Ca 0.08 -1.79 0.27 0.00 0.36 0.00 0.00 54.97 53.90 7a3h s GLU 135 Cb -0.13 -3.39 0.89 0.00 0.26 0.00 0.00 34.13 31.77 7a3h s GLU 135 CO 0.03 -0.97 1.72 0.44 -0.54 0.00 0.00 175.26 175.94 7a3h n ILE 136 N 4.46 0.17 -3.09 -3.70 -5.35 -0.87 -1.13 119.36 109.85 7a3h n ILE 136 Ca -0.01 -0.09 0.03 0.00 -0.27 0.00 0.00 62.75 62.40 7a3h n ILE 136 Cb 0.42 -0.32 -0.00 0.00 -1.74 0.00 0.00 39.64 37.99 7a3h n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 7a3h s ALA 137 N -3.04 -3.11 0.00 -1.28 0.00 -1.25 -4.72 121.76 108.36 7a3h s ALA 137 Ca 0.12 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.92 7a3h s ALA 137 Cb 0.17 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.52 7a3h s ALA 137 CO 0.60 -2.17 0.98 -1.71 0.00 0.00 0.00 175.76 173.47 7a3h n ASN 138 N 4.60 0.00 -3.40 0.00 5.15 -0.57 -3.17 115.26 117.88 7a3h n ASN 138 Ca 0.08 0.98 -0.27 0.00 -0.60 0.00 0.00 54.58 54.77 7a3h n ASN 138 Cb 0.58 -0.48 -0.10 0.00 -0.53 0.00 0.00 39.78 39.24 7a3h n ASN 138 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 7a3h s GLU 139 N -2.93 0.90 0.35 1.20 2.02 -1.18 -4.63 118.70 114.43 7a3h s GLU 139 Ca 0.00 -2.09 -0.26 0.00 0.02 0.00 0.00 54.97 52.64 7a3h s GLU 139 Cb 0.00 -1.43 -0.13 0.00 0.10 0.00 0.00 34.13 32.67 7a3h s GLU 139 CO 0.00 -1.38 0.92 -2.30 0.02 0.00 0.00 175.26 172.52 7a3h n PRO 140 N 2.89 1.19 -3.70 0.39 -0.02 -1.26 -4.48 135.00 130.01 7a3h n PRO 140 Ca 0.29 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 7a3h n PRO 140 Cb 0.47 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 7a3h n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 7a3h s ASN 141 N -0.69 -0.34 0.00 2.55 2.20 -0.68 -0.38 114.94 117.60 7a3h s ASN 141 Ca 0.61 -0.41 0.00 0.00 -0.94 0.00 0.00 52.86 52.12 7a3h s ASN 141 Cb -0.64 0.64 0.00 0.00 -2.00 0.00 0.00 41.25 39.25 7a3h s ASN 141 CO 0.59 -1.14 0.00 0.61 -2.94 0.00 0.00 177.10 174.21 7a3h n GLY 142 N -0.40 2.40 0.28 0.45 0.00 -1.26 -4.51 105.19 102.15 7a3h n GLY 142 Ca -0.09 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.39 7a3h n GLY 142 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 7a3h h SER 143 N 0.00 0.00 -0.43 1.61 0.02 -2.01 -2.24 113.55 110.50 7a3h h SER 143 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 7a3h h SER 143 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 7a3h h SER 143 CO 0.00 0.08 0.00 -0.90 -1.14 0.00 0.00 176.83 174.87 7a3h n ASP 144 N -3.55 2.34 -4.06 3.07 5.75 -1.26 -4.70 116.55 114.14 7a3h n ASP 144 Ca -0.02 -2.01 -0.32 0.00 -0.01 0.00 0.00 54.79 52.43 7a3h n ASP 144 Cb 0.20 -0.29 -0.14 0.00 -1.03 0.00 0.00 41.12 39.86 7a3h n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 7a3h s VAL 145 N -1.43 2.48 0.27 2.12 1.01 -0.85 -4.94 120.40 119.06 7a3h s VAL 145 Ca 0.29 -2.10 0.09 0.00 0.00 0.00 0.00 61.98 60.26 7a3h s VAL 145 Cb 0.15 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 7a3h s VAL 145 CO 0.19 -0.48 0.01 0.42 0.00 0.00 0.00 175.10 175.24 7a3h s THR 146 N 1.00 3.43 0.10 3.92 -4.23 -1.26 -4.68 115.64 113.92 7a3h s THR 146 Ca 0.06 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 7a3h s THR 146 Cb -0.20 -2.86 -0.12 0.00 1.34 0.00 0.00 72.50 70.67 7a3h s THR 146 CO -0.06 -0.36 1.63 -0.25 -0.54 0.00 0.00 174.62 175.04 7a3h h TRP 147 N 1.86 -0.75 -0.12 3.99 2.91 -1.96 -0.53 115.95 121.35 7a3h h TRP 147 Ca -0.44 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.45 7a3h h TRP 147 Cb 1.25 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 30.19 7a3h h TRP 147 CO 0.68 -0.40 -0.50 0.78 -1.03 0.00 0.00 178.44 177.96 7a3h h GLY 148 N -0.58 0.34 0.74 2.65 0.00 -1.96 0.14 103.07 104.40 7a3h h GLY 148 Ca -0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 47.33 46.63 7a3h h GLY 148 CO -0.07 0.33 -1.89 0.70 0.00 0.00 0.00 176.54 175.61 7a3h n ASN 149 N -3.96 1.25 -0.00 0.19 3.02 -1.22 -4.54 115.26 110.01 7a3h n ASN 149 Ca -0.02 0.29 -0.02 0.00 -0.03 0.00 0.00 54.58 54.81 7a3h n ASN 149 Cb 0.55 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 7a3h n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 7a3h n GLN 150 N -3.17 0.04 -0.04 3.52 3.00 -0.34 -4.75 117.38 115.64 7a3h n GLN 150 Ca -0.24 0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.61 7a3h n GLN 150 Cb 1.06 -0.56 -0.13 0.00 0.00 0.00 0.00 30.24 30.61 7a3h n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 7a3h h ILE 151 N -0.06 1.67 -0.39 5.09 2.04 -1.01 -2.56 117.51 122.29 7a3h h ILE 151 Ca -0.04 -2.22 0.01 0.00 1.00 0.00 0.00 64.86 63.62 7a3h h ILE 151 Cb 0.88 3.15 -0.02 0.00 -0.74 0.00 0.00 36.82 40.09 7a3h h ILE 151 CO -0.02 0.59 0.24 0.50 0.00 0.00 0.00 178.15 179.46 7a3h h LYS 152 N -0.75 0.47 -0.36 2.37 3.64 -0.96 -0.47 116.57 120.51 7a3h h LYS 152 Ca -0.03 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 7a3h h LYS 152 Cb 1.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 7a3h h LYS 152 CO 0.04 0.31 -0.08 -1.35 -2.27 0.00 0.00 179.45 176.10 7a3h h PRO 153 N 0.49 0.61 -0.28 1.90 0.11 -1.77 -0.50 132.00 132.55 7a3h h PRO 153 Ca 0.15 -0.17 0.03 0.00 0.11 0.00 0.00 66.00 66.12 7a3h h PRO 153 Cb -0.02 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.00 7a3h h PRO 153 CO -0.06 0.69 0.10 -0.92 -0.21 0.00 0.00 178.00 177.60 7a3h h TYR 154 N 0.56 0.18 -0.61 0.65 3.20 -1.02 -2.36 116.97 117.58 7a3h h TYR 154 Ca 0.11 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 7a3h h TYR 154 Cb 0.48 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 7a3h h TYR 154 CO 0.02 0.08 0.36 0.00 -1.64 0.00 0.00 178.16 176.98 7a3h h ALA 155 N 1.18 1.49 0.00 1.82 0.00 -0.48 -1.09 119.26 122.17 7a3h h ALA 155 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 7a3h h ALA 155 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 7a3h h ALA 155 CO -0.13 0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.96 7a3h n GLU 156 N -4.41 0.15 -0.04 0.00 1.02 -0.25 -0.57 120.64 116.53 7a3h n GLU 156 Ca 0.06 0.12 -0.19 0.00 -0.02 0.00 0.00 57.16 57.12 7a3h n GLU 156 Cb 0.08 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 7a3h n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 7a3h n GLU 157 N -1.39 0.72 0.11 3.49 1.02 -0.51 -4.52 120.64 119.55 7a3h n GLU 157 Ca 0.07 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.20 7a3h n GLU 157 Cb 0.20 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 29.82 7a3h n GLU 157 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 7a3h h VAL 158 N 0.04 1.22 -0.72 2.62 2.07 -0.97 -3.35 116.25 117.16 7a3h h VAL 158 Ca -0.47 -2.61 0.05 0.00 0.82 0.00 0.00 66.70 64.50 7a3h h VAL 158 Cb 2.00 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 34.70 7a3h h VAL 158 CO 0.03 0.80 0.43 0.40 0.02 0.00 0.00 177.57 179.25 7a3h h ILE 159 N 0.02 1.01 -0.77 4.57 2.04 -1.09 -1.80 117.51 121.48 7a3h h ILE 159 Ca -0.26 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.36 7a3h h ILE 159 Cb 2.04 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 7a3h h ILE 159 CO 0.22 0.14 0.51 -0.65 0.00 0.00 0.00 178.15 178.37 7a3h h PRO 160 N 0.79 0.92 -0.03 2.37 0.11 -1.79 0.89 132.00 135.26 7a3h h PRO 160 Ca 0.32 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.38 7a3h h PRO 160 Cb 0.15 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 7a3h h PRO 160 CO -0.17 0.61 -0.03 0.82 -0.21 0.00 0.00 178.00 179.02 7a3h h ILE 161 N 0.94 0.91 -0.27 4.15 1.08 -1.47 -1.55 117.51 121.31 7a3h h ILE 161 Ca 0.31 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.77 7a3h h ILE 161 Cb 0.05 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 7a3h h ILE 161 CO -0.09 0.00 0.15 0.40 -0.69 0.00 0.00 178.15 177.92 7a3h h ILE 162 N -0.04 1.12 0.00 -0.67 2.04 -0.92 -3.11 117.51 115.93 7a3h h ILE 162 Ca 0.02 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 7a3h h ILE 162 Cb 0.07 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 7a3h h ILE 162 CO -0.05 0.12 -0.09 0.03 0.00 0.00 0.00 178.15 178.15 7a3h h ARG 163 N 0.33 0.00 0.00 2.37 2.47 -0.64 0.15 114.38 119.07 7a3h h ARG 163 Ca 0.10 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 7a3h h ARG 163 Cb 0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 7a3h h ARG 163 CO -0.02 0.09 -0.18 -0.97 0.56 0.00 0.00 179.97 179.45 7a3h h ASN 164 N 0.00 0.00 0.00 7.04 -1.24 -1.21 -3.21 115.58 116.96 7a3h h ASN 164 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 7a3h h ASN 164 Cb 0.39 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 7a3h h ASN 164 CO 0.01 0.18 -1.79 0.59 -1.29 0.00 0.00 177.43 175.14 7a3h n ASN 165 N -3.79 1.52 -3.37 1.15 3.02 -0.26 -4.94 115.26 108.59 7a3h n ASN 165 Ca -0.02 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.37 7a3h n ASN 165 Cb 0.29 1.41 -0.08 0.00 -0.61 0.00 0.00 39.78 40.78 7a3h n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 7a3h s ASP 166 N -4.08 1.30 0.30 6.41 -1.08 0.38 -4.73 116.67 115.17 7a3h s ASP 166 Ca -0.06 -1.00 0.26 0.00 -0.52 0.00 0.00 52.55 51.22 7a3h s ASP 166 Cb 0.08 0.62 0.97 0.00 -1.46 0.00 0.00 42.92 43.13 7a3h s ASP 166 CO 0.61 -0.34 1.76 1.55 0.52 0.00 0.00 175.17 179.28 7a3h h PRO 167 N 7.81 0.00 0.00 4.34 0.13 -1.82 -3.33 132.00 139.13 7a3h h PRO 167 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 7a3h h PRO 167 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 7a3h h PRO 167 CO 0.28 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.32 7a3h n ASN 168 N -2.42 0.00 -4.72 1.44 2.04 -1.26 -4.97 115.26 105.38 7a3h n ASN 168 Ca 0.03 -0.96 -0.33 0.00 -0.44 0.00 0.00 54.58 52.87 7a3h n ASN 168 Cb 0.30 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.65 7a3h n ASN 168 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 7a3h s ASN 169 N 0.00 4.08 0.36 0.53 0.01 -1.26 -4.86 114.94 113.80 7a3h s ASN 169 Ca 0.00 2.28 -0.28 0.00 -0.71 0.00 0.00 52.86 54.15 7a3h s ASN 169 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 7a3h s ASN 169 CO 0.00 -2.34 1.37 -0.63 -1.51 0.00 0.00 177.10 173.99 7a3h s ILE 170 N -2.16 2.45 -0.13 0.60 -1.09 -1.26 -4.91 121.20 114.71 7a3h s ILE 170 Ca 0.72 0.44 0.03 0.00 -2.23 0.00 0.00 60.65 59.61 7a3h s ILE 170 Cb -0.27 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 7a3h s ILE 170 CO 0.47 0.10 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.43 7a3h s ILE 171 N -1.16 2.02 -0.20 2.92 1.01 -0.84 -1.41 121.20 123.54 7a3h s ILE 171 Ca 0.52 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 7a3h s ILE 171 Cb -0.42 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 7a3h s ILE 171 CO 0.56 0.54 0.13 -0.63 0.00 0.00 0.00 174.94 175.54 7a3h s ILE 172 N 0.73 5.37 -0.15 2.92 1.01 0.82 -0.75 121.20 131.15 7a3h s ILE 172 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.73 7a3h s ILE 172 Cb -0.16 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 7a3h s ILE 172 CO 0.00 0.43 -0.15 -0.69 0.00 0.00 0.00 174.94 174.53 7a3h s VAL 173 N 0.44 2.73 0.81 2.92 1.01 0.37 -2.04 120.40 126.64 7a3h s VAL 173 Ca 0.08 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 7a3h s VAL 173 Cb -0.11 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.20 7a3h s VAL 173 CO -0.01 0.52 1.14 -0.83 0.00 0.00 0.00 175.10 175.92 7a3h s GLY 174 N 0.74 1.89 0.41 4.51 0.00 -1.19 -1.00 107.32 112.68 7a3h s GLY 174 Ca -0.06 0.58 0.05 0.00 0.00 0.00 0.00 44.72 45.29 7a3h s GLY 174 CO 0.01 0.97 0.02 -0.51 0.00 0.00 0.00 173.10 173.59 7a3h s THR 175 N -2.53 1.67 0.95 0.90 -4.23 -1.26 -4.78 115.64 106.36 7a3h s THR 175 Ca 0.67 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 7a3h s THR 175 Cb -0.23 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 70.98 7a3h s THR 175 CO 0.53 0.00 1.09 -0.83 -0.54 0.00 0.00 174.62 174.87 7a3h s GLY 176 N -3.70 1.60 -1.18 3.99 0.00 -1.26 -1.11 107.32 105.65 7a3h s GLY 176 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 7a3h s GLY 176 CO 0.15 0.37 0.93 2.41 0.00 0.00 0.00 173.10 176.96 7a3h n THR 177 N -4.04 -6.56 -3.48 0.90 -1.04 -1.21 -1.08 114.28 97.77 7a3h n THR 177 Ca 0.06 -0.73 -0.19 0.00 -2.04 0.00 0.00 64.05 61.15 7a3h n THR 177 Cb 0.56 -5.18 0.09 0.00 -1.82 0.00 0.00 70.33 63.98 7a3h n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 7a3h n TRP 178 N -3.93 -2.42 -3.73 -1.42 8.01 0.49 -2.88 117.44 111.55 7a3h n TRP 178 Ca -0.23 0.96 -0.25 0.00 -1.31 0.00 0.00 57.50 56.67 7a3h n TRP 178 Cb 0.66 -5.04 0.05 0.00 -2.01 0.00 0.00 31.31 24.96 7a3h n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 7a3h n SER 179 N -3.06 -3.62 -0.03 -0.99 7.64 -0.27 -4.54 113.62 108.75 7a3h n SER 179 Ca -0.18 -0.73 -0.00 0.00 1.01 0.00 0.00 58.87 58.97 7a3h n SER 179 Cb 0.63 -4.31 -0.08 0.00 -1.01 0.00 0.00 64.21 59.44 7a3h n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 7a3h n GLN 180 N -4.55 1.48 -2.06 1.43 6.02 -0.47 -0.72 117.38 118.52 7a3h n GLN 180 Ca -0.11 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.42 7a3h n GLN 180 Cb 0.60 -1.25 -0.00 0.00 1.02 0.00 0.00 30.24 30.61 7a3h n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 7a3h n ASP 181 N -2.14 5.75 0.22 1.08 2.03 -0.24 -4.61 116.55 118.65 7a3h n ASP 181 Ca -0.10 -3.02 0.11 0.00 0.52 0.00 0.00 54.79 52.30 7a3h n ASP 181 Cb 0.57 -1.50 0.41 0.00 -0.72 0.00 0.00 41.12 39.89 7a3h n ASP 181 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 7a3h h VAL 182 N 3.50 0.41 0.02 5.18 -1.51 -1.87 -3.23 116.25 118.75 7a3h h VAL 182 Ca 0.53 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 7a3h h VAL 182 Cb 0.54 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.52 7a3h h VAL 182 CO 1.67 0.18 -0.03 -0.74 -1.23 0.00 0.00 177.57 177.41 7a3h h HIS 183 N 0.00 -0.08 -0.59 5.19 -0.00 -1.82 0.22 115.15 118.07 7a3h h HIS 183 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 7a3h h HIS 183 Cb 0.81 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.24 7a3h h HIS 183 CO 0.00 -0.05 -0.01 0.45 -0.00 0.00 0.00 177.93 178.32 7a3h h HIS 184 N -0.07 1.13 -0.65 5.26 3.86 -1.96 -2.24 115.15 120.47 7a3h h HIS 184 Ca 0.01 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 7a3h h HIS 184 Cb 0.08 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 7a3h h HIS 184 CO -0.10 1.00 0.32 0.00 0.86 0.00 0.00 177.93 180.01 7a3h h ALA 185 N 1.03 0.84 0.00 2.45 0.00 -1.54 -2.79 119.26 119.25 7a3h h ALA 185 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 7a3h h ALA 185 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 7a3h h ALA 185 CO 0.03 0.40 -0.22 0.00 0.00 0.00 0.00 179.25 179.46 7a3h h ALA 186 N 1.15 1.23 -0.00 0.00 0.00 -0.69 -1.22 119.26 119.73 7a3h h ALA 186 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 7a3h h ALA 186 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 7a3h h ALA 186 CO -0.03 0.28 -0.06 -0.25 0.00 0.00 0.00 179.25 179.19 7a3h n ASP 187 N -3.69 0.36 -2.94 0.00 8.00 -0.86 -4.34 116.55 113.08 7a3h n ASP 187 Ca -0.01 -0.62 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 7a3h n ASP 187 Cb 0.34 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 7a3h n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 7a3h n ASN 188 N -0.96 -0.97 -4.79 -2.24 5.15 -0.49 -5.10 115.26 105.87 7a3h n ASN 188 Ca 0.16 -3.37 -0.33 0.00 -0.60 0.00 0.00 54.58 50.43 7a3h n ASN 188 Cb 0.25 0.80 0.01 0.00 -0.53 0.00 0.00 39.78 40.30 7a3h n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 7a3h s GLN 189 N -0.88 3.27 0.75 1.20 -0.21 -1.05 -4.85 119.66 117.89 7a3h s GLN 189 Ca 0.30 1.36 -0.12 0.00 0.02 0.00 0.00 55.36 56.92 7a3h s GLN 189 Cb 0.31 -2.02 0.05 0.00 1.00 0.00 0.00 33.01 32.35 7a3h s GLN 189 CO -0.07 -0.87 1.12 -0.51 -2.12 0.00 0.00 175.29 172.83 7a3h s LEU 190 N -4.29 3.14 0.15 2.90 1.43 -1.26 -4.99 118.68 115.76 7a3h s LEU 190 Ca 0.67 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.77 7a3h s LEU 190 Cb -0.19 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 7a3h s LEU 190 CO 0.33 -2.09 1.34 0.00 0.23 0.00 0.00 176.35 176.17 7a3h h ALA 191 N -0.80 0.46 -2.78 4.21 0.00 -2.02 -3.46 119.26 114.87 7a3h h ALA 191 Ca -0.45 -0.76 -0.53 0.00 0.00 0.00 0.00 54.91 53.17 7a3h h ALA 191 Cb 1.25 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 19.04 7a3h h ALA 191 CO 0.51 0.96 0.89 0.34 0.00 0.00 0.00 179.25 181.94 7a3h s ASP 192 N -6.93 6.40 0.04 0.00 -1.08 -1.26 -4.87 116.67 108.97 7a3h s ASP 192 Ca -0.02 2.92 0.25 0.00 -0.52 0.00 0.00 52.55 55.18 7a3h s ASP 192 Cb 0.10 -2.63 1.05 0.00 -1.46 0.00 0.00 42.92 39.98 7a3h s ASP 192 CO 0.83 -0.90 1.81 -0.81 0.52 0.00 0.00 175.17 176.62 7a3h n PRO 193 N 2.37 0.04 -1.96 4.34 -0.04 -1.26 -3.40 135.00 135.11 7a3h n PRO 193 Ca 0.09 0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.39 7a3h n PRO 193 Cb 0.37 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 7a3h n PRO 193 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 7a3h n ASN 194 N -1.63 5.32 -4.85 3.54 3.02 -1.26 -4.36 115.26 115.03 7a3h n ASN 194 Ca 0.06 -3.75 -0.32 0.00 -0.03 0.00 0.00 54.58 50.53 7a3h n ASN 194 Cb 0.31 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 7a3h n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 7a3h s VAL 195 N -4.70 5.09 0.13 2.41 1.01 -1.22 -1.98 120.40 121.15 7a3h s VAL 195 Ca 0.53 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.21 7a3h s VAL 195 Cb 0.42 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 7a3h s VAL 195 CO 0.01 0.27 -0.14 -0.04 0.00 0.00 0.00 175.10 175.20 7a3h s MET 196 N -2.05 1.07 -0.12 2.72 -1.94 0.07 -4.56 119.30 114.49 7a3h s MET 196 Ca 0.28 -1.29 -0.04 0.00 -1.71 0.00 0.00 55.69 52.92 7a3h s MET 196 Cb -0.12 -0.94 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 7a3h s MET 196 CO 0.19 0.18 0.04 0.71 -0.01 0.00 0.00 175.02 176.13 7a3h s TYR 197 N -2.27 3.25 0.30 -0.03 2.02 0.06 -0.48 117.35 120.21 7a3h s TYR 197 Ca 0.11 0.19 -0.28 0.00 -0.37 0.00 0.00 57.07 56.72 7a3h s TYR 197 Cb -0.04 -1.89 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 7a3h s TYR 197 CO 0.03 0.41 1.05 0.00 -1.57 0.00 0.00 175.55 175.47 7a3h s ALA 198 N -0.53 3.31 -0.06 3.71 0.00 -0.17 -1.49 121.76 126.53 7a3h s ALA 198 Ca 0.10 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.85 7a3h s ALA 198 Cb -0.12 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.74 7a3h s ALA 198 CO 0.02 -0.08 -0.07 0.12 0.00 0.00 0.00 175.76 175.75 7a3h s PHE 199 N -1.30 1.01 0.02 0.00 5.36 -0.92 -4.24 117.98 117.91 7a3h s PHE 199 Ca 0.47 -0.34 0.08 0.00 -0.96 0.00 0.00 56.93 56.18 7a3h s PHE 199 Cb -0.28 -0.84 -0.02 0.00 -0.34 0.00 0.00 43.02 41.54 7a3h s PHE 199 CO 0.35 -0.25 -0.24 -1.01 -1.46 0.00 0.00 175.22 172.61 7a3h s HIS 200 N 0.97 2.15 0.10 10.12 3.76 0.10 -3.62 115.29 128.88 7a3h s HIS 200 Ca -0.10 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.39 7a3h s HIS 200 Cb -0.14 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 7a3h s HIS 200 CO 0.00 0.05 0.05 -0.59 -0.85 0.00 0.00 174.74 173.41 7a3h s PHE 201 N -0.70 0.66 -0.05 1.40 -0.12 -1.19 -4.67 117.98 113.31 7a3h s PHE 201 Ca 0.10 -1.10 0.02 0.00 -0.05 0.00 0.00 56.93 55.90 7a3h s PHE 201 Cb -0.09 -0.39 0.02 0.00 -0.63 0.00 0.00 43.02 41.92 7a3h s PHE 201 CO 0.01 -0.49 -0.07 0.71 -0.05 0.00 0.00 175.22 175.33 7a3h s TYR 202 N -3.98 0.95 -0.49 3.49 2.02 -1.26 -1.56 117.35 116.52 7a3h s TYR 202 Ca 0.16 -0.29 0.23 0.00 -0.37 0.00 0.00 57.07 56.80 7a3h s TYR 202 Cb 0.07 -0.76 0.97 0.00 -0.40 0.00 0.00 41.96 41.84 7a3h s TYR 202 CO -0.03 -0.19 1.69 0.00 -1.57 0.00 0.00 175.55 175.44 7a3h n ALA 203 N 3.84 1.61 0.49 3.71 0.00 -0.20 -1.60 120.51 128.36 7a3h n ALA 203 Ca -0.24 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.38 7a3h n ALA 203 Cb 0.52 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 18.99 7a3h n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 7a3h n GLY 204 N -0.12 -1.14 3.76 0.00 0.00 -0.13 -4.63 105.19 102.94 7a3h n GLY 204 Ca 0.02 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 7a3h n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7a3h s THR 205 N -3.11 5.32 0.07 2.61 2.01 -0.63 -4.91 115.64 117.00 7a3h s THR 205 Ca 0.06 0.48 -0.31 0.00 0.31 0.00 0.00 61.69 62.23 7a3h s THR 205 Cb 0.10 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 7a3h s THR 205 CO 0.33 0.45 1.67 -1.00 -0.69 0.00 0.00 174.62 175.39 7a3h s HIS 206 N 0.05 2.35 -1.45 4.92 3.76 -1.26 -4.90 115.29 118.77 7a3h s HIS 206 Ca 0.16 0.27 0.16 0.00 -0.15 0.00 0.00 55.06 55.49 7a3h s HIS 206 Cb -0.13 -3.98 0.40 0.00 1.11 0.00 0.00 32.58 29.98 7a3h s HIS 206 CO 0.04 -3.98 1.32 0.41 -0.85 0.00 0.00 174.74 171.68 7a3h n GLY 207 N 4.03 2.30 0.27 -2.22 0.00 -1.26 -4.71 105.19 103.60 7a3h n GLY 207 Ca 0.16 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 7a3h n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 7a3h h GLN 208 N 2.98 0.90 -0.20 1.61 4.15 -2.00 -0.91 115.11 121.64 7a3h h GLN 208 Ca 0.00 -0.23 -0.14 0.00 0.77 0.00 0.00 58.65 59.05 7a3h h GLN 208 Cb 0.81 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 7a3h h GLN 208 CO 0.00 0.85 -0.48 -0.97 -1.93 0.00 0.00 178.83 176.30 7a3h h ASN 209 N 0.80 0.57 -0.74 -0.69 -0.00 -2.00 -2.47 115.58 111.06 7a3h h ASN 209 Ca 0.17 -0.28 -0.03 0.00 -0.00 0.00 0.00 56.30 56.17 7a3h h ASN 209 Cb 0.37 -0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 38.49 7a3h h ASN 209 CO 0.00 0.96 0.36 -0.07 -0.00 0.00 0.00 177.43 178.69 7a3h h LEU 210 N 0.42 0.98 -0.52 0.34 3.38 -1.76 0.45 115.31 118.59 7a3h h LEU 210 Ca 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 7a3h h LEU 210 Cb 1.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 7a3h h LEU 210 CO 0.09 0.83 0.32 0.03 0.09 0.00 0.00 178.44 179.80 7a3h h ARG 211 N 1.07 0.71 -0.34 1.13 3.08 -1.08 -1.12 114.38 117.83 7a3h h ARG 211 Ca 0.26 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 7a3h h ARG 211 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 7a3h h ARG 211 CO -0.03 0.50 0.03 -0.44 -1.07 0.00 0.00 179.97 178.96 7a3h h ASP 212 N 0.70 0.47 -0.21 7.04 3.32 -0.88 -1.21 116.42 125.66 7a3h h ASP 212 Ca 0.19 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 7a3h h ASP 212 Cb -0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 7a3h h ASP 212 CO -0.04 0.52 -0.40 1.56 -1.72 0.00 0.00 179.24 179.17 7a3h h GLN 213 N 0.50 0.74 -0.56 3.56 1.08 -0.53 -0.52 115.11 119.39 7a3h h GLN 213 Ca 0.11 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 56.92 7a3h h GLN 213 Cb 0.27 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 7a3h h GLN 213 CO 0.00 1.01 0.33 0.28 -0.95 0.00 0.00 178.83 179.50 7a3h h VAL 214 N 0.61 1.17 -0.98 -0.54 2.07 -0.84 -1.47 116.25 116.28 7a3h h VAL 214 Ca 0.05 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.20 7a3h h VAL 214 Cb 0.94 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 7a3h h VAL 214 CO 0.09 0.18 0.64 0.44 0.02 0.00 0.00 177.57 178.94 7a3h h ASP 215 N 0.75 1.09 -0.32 0.57 3.32 -0.93 -0.31 116.42 120.60 7a3h h ASP 215 Ca 0.20 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.26 7a3h h ASP 215 Cb -0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 7a3h h ASP 215 CO -0.04 0.77 0.15 0.22 -1.72 0.00 0.00 179.24 178.62 7a3h h TYR 216 N 1.28 0.27 -0.36 4.55 3.20 -0.65 -0.32 116.97 124.94 7a3h h TYR 216 Ca 0.38 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 7a3h h TYR 216 Cb -0.07 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 7a3h h TYR 216 CO -0.00 0.14 0.19 0.00 -1.64 0.00 0.00 178.16 176.85 7a3h h ALA 217 N 1.17 0.47 -0.66 1.82 0.00 -0.57 -2.09 119.26 119.40 7a3h h ALA 217 Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.99 7a3h h ALA 217 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 7a3h h ALA 217 CO -0.11 0.01 0.44 -0.07 0.00 0.00 0.00 179.25 179.52 7a3h h LEU 218 N 0.45 0.68 -1.11 0.00 3.38 -0.82 -1.36 115.31 116.54 7a3h h LEU 218 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 7a3h h LEU 218 Cb 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.68 7a3h h LEU 218 CO -0.02 0.47 0.00 0.44 0.09 0.00 0.00 178.44 179.42 7a3h h ASP 219 N 0.79 0.00 -0.19 -0.43 3.32 -0.37 -0.82 116.42 118.72 7a3h h ASP 219 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 7a3h h ASP 219 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 7a3h h ASP 219 CO -0.07 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.45 7a3h n GLN 220 N -2.53 1.79 -0.78 3.56 1.13 -0.53 -4.93 117.38 115.09 7a3h n GLN 220 Ca 0.01 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.88 7a3h n GLN 220 Cb 0.23 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.18 7a3h n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 7a3h n GLY 221 N 1.15 0.73 3.75 1.08 0.00 -0.31 -5.02 105.19 106.56 7a3h n GLY 221 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 7a3h n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7a3h s ALA 222 N -2.65 3.37 0.05 4.61 0.00 -1.10 -4.04 121.76 121.99 7a3h s ALA 222 Ca 0.00 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 7a3h s ALA 222 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 7a3h s ALA 222 CO 0.00 -0.07 0.52 0.00 0.00 0.00 0.00 175.76 176.20 7a3h s ALA 223 N -0.86 3.62 -0.07 0.00 0.00 -1.25 -4.19 121.76 119.01 7a3h s ALA 223 Ca 0.45 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.40 7a3h s ALA 223 Cb -0.29 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.27 7a3h s ALA 223 CO 0.36 0.42 -0.18 0.42 0.00 0.00 0.00 175.76 176.78 7a3h s ILE 224 N -1.06 1.60 -0.14 0.00 -1.09 -1.26 -0.76 121.20 118.48 7a3h s ILE 224 Ca 0.27 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 7a3h s ILE 224 Cb -0.19 -1.40 -0.00 0.00 -1.58 0.00 0.00 42.46 39.29 7a3h s ILE 224 CO 0.17 0.46 -0.17 0.12 -1.23 0.00 0.00 174.94 174.29 7a3h s PHE 225 N 0.37 2.75 -1.28 3.97 2.19 -0.56 -4.52 117.98 120.90 7a3h s PHE 225 Ca -0.14 -1.05 -0.14 0.00 0.33 0.00 0.00 56.93 55.94 7a3h s PHE 225 Cb -0.16 -1.86 0.13 0.00 -1.31 0.00 0.00 43.02 39.83 7a3h s PHE 225 CO 0.05 -0.46 1.72 0.28 1.83 0.00 0.00 175.22 178.64 7a3h n VAL 226 N 3.95 4.11 0.86 3.12 0.31 -0.10 -2.17 118.33 128.42 7a3h n VAL 226 Ca -0.19 -4.29 0.10 0.00 -0.01 0.00 0.00 64.34 59.95 7a3h n VAL 226 Cb 0.52 -2.43 0.49 0.00 -0.91 0.00 0.00 33.84 31.51 7a3h n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 7a3h n SER 227 N 5.84 0.00 -3.67 4.52 3.41 -1.24 -1.71 113.62 120.78 7a3h n SER 227 Ca 0.42 0.28 -0.09 0.00 -0.26 0.00 0.00 58.87 59.22 7a3h n SER 227 Cb 0.41 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 7a3h n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 7a3h s GLU 228 N -2.82 0.57 0.03 4.33 2.12 -1.23 -4.30 118.70 117.40 7a3h s GLU 228 Ca 0.15 0.98 -0.18 0.00 0.36 0.00 0.00 54.97 56.28 7a3h s GLU 228 Cb 0.14 0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.67 7a3h s GLU 228 CO 0.37 -0.14 0.39 1.67 -0.54 0.00 0.00 175.26 177.01 7a3h s TRP 229 N 1.34 -0.25 0.16 5.30 1.48 -0.99 -3.18 118.94 122.80 7a3h s TRP 229 Ca -0.08 0.23 0.06 0.00 -1.06 0.00 0.00 56.10 55.25 7a3h s TRP 229 Cb -0.06 0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 32.40 7a3h s TRP 229 CO -0.14 -0.54 -0.13 0.20 -4.06 0.00 0.00 176.95 172.28 7a3h s GLY 230 N -1.90 1.19 0.00 3.67 0.00 -0.60 -0.57 107.32 109.11 7a3h s GLY 230 Ca -0.06 -1.47 0.29 0.00 0.00 0.00 0.00 44.72 43.48 7a3h s GLY 230 CO -0.01 -1.55 1.88 -1.30 0.00 0.00 0.00 173.10 172.12 7a3h n THR 231 N 0.05 0.00 -2.50 0.90 -2.24 -1.26 -1.03 114.28 108.19 7a3h n THR 231 Ca -0.12 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 7a3h n THR 231 Cb 0.59 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 7a3h n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 7a3h n SER 232 N -1.27 0.33 -4.33 3.42 3.41 -1.26 -0.77 113.62 113.15 7a3h n SER 232 Ca 0.11 -1.26 -0.29 0.00 -0.26 0.00 0.00 58.87 57.17 7a3h n SER 232 Cb 0.29 -0.12 0.20 0.00 -0.26 0.00 0.00 64.21 64.32 7a3h n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 7a3h s ALA 233 N -2.66 0.96 -0.51 7.33 0.00 -0.38 -0.95 121.76 125.54 7a3h s ALA 233 Ca 0.14 -0.66 0.21 0.00 0.00 0.00 0.00 51.96 51.64 7a3h s ALA 233 Cb -0.01 -3.00 0.92 0.00 0.00 0.00 0.00 23.12 21.04 7a3h s ALA 233 CO 0.09 -3.06 1.63 0.00 0.00 0.00 0.00 175.76 174.41 7a3h n ALA 234 N -4.34 1.48 0.95 0.00 0.00 -1.26 -0.75 120.51 116.58 7a3h n ALA 234 Ca 0.09 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.75 7a3h n ALA 234 Cb 0.59 -1.33 0.59 0.00 0.00 0.00 0.00 19.45 19.30 7a3h n ALA 234 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 7a3h n THR 235 N -2.11 0.09 -0.22 0.00 -2.24 -1.26 -4.89 114.28 103.65 7a3h n THR 235 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 7a3h n THR 235 Cb 0.16 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 7a3h n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 7a3h n GLY 236 N 1.39 1.03 0.00 3.38 0.00 0.07 -5.00 105.19 106.06 7a3h n GLY 236 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 7a3h n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 7a3h n ASP 237 N 0.00 0.56 -2.18 1.61 -0.08 -1.25 -1.97 116.55 113.24 7a3h n ASP 237 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 7a3h n ASP 237 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 7a3h n ASP 237 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 7a3h n GLY 238 N 2.29 -0.03 0.00 0.27 0.00 -1.26 -1.25 105.19 105.20 7a3h n GLY 238 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 7a3h n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7a3h n GLY 239 N -1.33 2.62 3.61 -0.02 0.00 -1.26 -4.63 105.19 104.18 7a3h n GLY 239 Ca -0.04 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 7a3h n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7a3h s VAL 240 N -2.28 4.05 -0.58 1.61 1.01 -1.26 -3.93 120.40 119.03 7a3h s VAL 240 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.71 7a3h s VAL 240 Cb 0.00 -2.71 0.25 0.00 0.00 0.00 0.00 36.38 33.93 7a3h s VAL 240 CO 0.00 0.57 0.70 0.49 0.00 0.00 0.00 175.10 176.87 7a3h n PHE 241 N 2.51 2.69 0.19 5.22 3.01 0.05 -4.95 117.46 126.18 7a3h n PHE 241 Ca -0.18 -4.01 0.05 0.00 1.01 0.00 0.00 57.45 54.33 7a3h n PHE 241 Cb 0.53 -0.51 0.33 0.00 -0.01 0.00 0.00 39.48 39.83 7a3h n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 7a3h h LEU 242 N 4.07 0.00 0.18 4.37 3.38 -1.93 -1.21 115.31 124.17 7a3h h LEU 242 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 7a3h h LEU 242 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 7a3h h LEU 242 CO 0.75 0.38 -0.09 0.44 0.09 0.00 0.00 178.44 180.01 7a3h h ASP 243 N 0.00 -0.20 -0.07 -0.43 3.32 -1.96 -0.67 116.42 116.41 7a3h h ASP 243 Ca -0.00 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 7a3h h ASP 243 Cb 0.89 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 7a3h h ASP 243 CO 0.05 -0.01 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.20 7a3h h GLU 244 N -0.39 0.52 -0.68 3.56 4.57 -1.83 -2.37 114.58 117.96 7a3h h GLU 244 Ca -0.02 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 7a3h h GLU 244 Cb 0.30 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 7a3h h GLU 244 CO 0.04 0.75 0.41 0.00 -1.18 0.00 0.00 179.01 179.03 7a3h h ALA 245 N 1.25 0.90 -0.83 2.92 0.00 -1.05 -1.57 119.26 120.87 7a3h h ALA 245 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 7a3h h ALA 245 Cb 0.72 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 7a3h h ALA 245 CO 0.06 0.15 0.37 0.37 0.00 0.00 0.00 179.25 180.19 7a3h h GLN 246 N 0.79 1.22 -0.50 0.00 5.75 -0.77 0.97 115.11 122.56 7a3h h GLN 246 Ca 0.28 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 7a3h h GLN 246 Cb 0.08 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 7a3h h GLN 246 CO -0.13 0.95 0.26 0.28 -2.65 0.00 0.00 178.83 177.54 7a3h h VAL 247 N 1.19 0.98 -0.65 2.39 2.07 -0.91 -0.82 116.25 120.51 7a3h h VAL 247 Ca 0.28 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 7a3h h VAL 247 Cb 0.16 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 7a3h h VAL 247 CO -0.03 0.09 0.18 -0.50 0.02 0.00 0.00 177.57 177.34 7a3h h TRP 248 N 0.52 1.07 -0.50 1.57 4.06 -0.75 -1.13 115.95 120.78 7a3h h TRP 248 Ca 0.21 -0.12 0.04 0.00 2.06 0.00 0.00 58.89 61.09 7a3h h TRP 248 Cb 0.10 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 7a3h h TRP 248 CO -0.09 0.88 0.26 0.82 -3.56 0.00 0.00 178.44 176.74 7a3h h ILE 249 N 0.95 0.96 -0.48 1.49 1.08 -0.36 0.12 117.51 121.27 7a3h h ILE 249 Ca 0.21 -0.17 -0.10 0.00 -0.39 0.00 0.00 64.86 64.41 7a3h h ILE 249 Cb 0.32 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 7a3h h ILE 249 CO -0.00 0.09 -0.09 0.44 -0.69 0.00 0.00 178.15 177.90 7a3h h ASP 250 N 0.50 0.91 -0.33 1.72 3.32 -0.96 -1.47 116.42 120.11 7a3h h ASP 250 Ca 0.22 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.96 7a3h h ASP 250 Cb 0.13 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 7a3h h ASP 250 CO -0.15 1.05 0.10 0.15 -1.72 0.00 0.00 179.24 178.66 7a3h h PHE 251 N 0.76 0.17 -0.73 4.55 3.57 -0.90 -0.87 116.94 123.48 7a3h h PHE 251 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 7a3h h PHE 251 Cb 0.63 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 7a3h h PHE 251 CO 0.05 0.06 0.30 0.52 -2.23 0.00 0.00 178.31 177.01 7a3h h MET 252 N 0.23 1.08 -0.53 1.11 2.86 -0.71 -1.10 114.93 117.86 7a3h h MET 252 Ca 0.15 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 7a3h h MET 252 Cb 0.14 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 7a3h h MET 252 CO -0.17 0.87 0.08 -0.44 1.06 0.00 0.00 176.91 178.31 7a3h h ASP 253 N 1.06 0.86 -0.36 1.22 3.32 -0.93 0.45 116.42 122.04 7a3h h ASP 253 Ca 0.25 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 7a3h h ASP 253 Cb 0.19 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 7a3h h ASP 253 CO -0.02 0.91 0.13 -0.33 -1.72 0.00 0.00 179.24 178.20 7a3h h GLU 254 N 0.77 0.63 -0.34 3.56 5.08 -0.73 -2.48 114.58 121.07 7a3h h GLU 254 Ca 0.16 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 7a3h h GLU 254 Cb 0.42 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.56 7a3h h GLU 254 CO 0.01 0.56 0.00 0.54 -1.00 0.00 0.00 179.01 179.12 7a3h n ARG 255 N -4.33 2.17 -3.87 2.33 3.00 -0.46 -4.97 116.66 110.53 7a3h n ARG 255 Ca 0.03 -1.78 -0.27 0.00 -0.01 0.00 0.00 57.85 55.82 7a3h n ARG 255 Cb 0.18 -1.45 0.02 0.00 0.00 0.00 0.00 32.46 31.21 7a3h n ARG 255 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 7a3h n ASN 256 N 0.98 -2.77 -4.70 0.55 3.02 -0.28 -4.95 115.26 107.11 7a3h n ASN 256 Ca 0.18 -0.85 -0.36 0.00 -0.03 0.00 0.00 54.58 53.52 7a3h n ASN 256 Cb 0.47 -3.73 -0.08 0.00 -0.61 0.00 0.00 39.78 35.84 7a3h n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 7a3h s LEU 257 N -7.03 4.19 0.58 3.41 1.43 -0.01 -4.79 118.68 116.45 7a3h s LEU 257 Ca 0.35 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 7a3h s LEU 257 Cb -0.18 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 7a3h s LEU 257 CO 0.84 0.07 1.03 -0.44 0.23 0.00 0.00 176.35 178.09 7a3h s SER 258 N 0.70 6.05 0.08 2.29 0.01 -1.26 -4.71 113.70 116.87 7a3h s SER 258 Ca 0.13 1.70 -0.20 0.00 1.31 0.00 0.00 55.95 58.89 7a3h s SER 258 Cb -0.13 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.63 7a3h s SER 258 CO 0.04 -0.98 0.48 -1.66 0.41 0.00 0.00 173.24 171.53 7a3h s TRP 259 N -2.60 -0.36 -0.05 2.43 1.48 0.00 -0.92 118.94 118.93 7a3h s TRP 259 Ca 0.61 0.27 0.01 0.00 -1.06 0.00 0.00 56.10 55.93 7a3h s TRP 259 Cb -0.14 0.33 0.02 0.00 -1.16 0.00 0.00 33.47 32.52 7a3h s TRP 259 CO 0.37 -0.67 -0.05 0.00 -4.06 0.00 0.00 176.95 172.54 7a3h s ALA 260 N -2.95 0.74 0.12 2.67 0.00 -0.69 -1.67 121.76 119.99 7a3h s ALA 260 Ca -0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 7a3h s ALA 260 Cb -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 7a3h s ALA 260 CO -0.06 -0.04 0.62 1.21 0.00 0.00 0.00 175.76 177.50 7a3h s ASN 261 N 0.97 7.08 -0.30 0.00 3.84 -0.47 -2.34 114.94 123.73 7a3h s ASN 261 Ca -0.10 1.32 -0.12 0.00 0.21 0.00 0.00 52.86 54.17 7a3h s ASN 261 Cb -0.14 -2.38 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 7a3h s ASN 261 CO -0.00 0.20 0.24 0.86 -2.79 0.00 0.00 177.10 175.61 7a3h s TRP 262 N -1.24 3.22 0.22 0.43 -0.11 0.26 -0.67 118.94 121.06 7a3h s TRP 262 Ca 0.34 0.08 -0.20 0.00 1.22 0.00 0.00 56.10 57.53 7a3h s TRP 262 Cb -0.19 -2.45 0.04 0.00 -1.50 0.00 0.00 33.47 29.36 7a3h s TRP 262 CO 0.21 -0.24 0.63 -1.54 -4.62 0.00 0.00 176.95 171.39 7a3h s SER 263 N 1.73 -0.35 -0.97 5.86 1.04 -1.04 -4.56 113.70 115.42 7a3h s SER 263 Ca 0.08 -0.41 -0.18 0.00 0.48 0.00 0.00 55.95 55.93 7a3h s SER 263 Cb -0.16 0.65 0.14 0.00 0.10 0.00 0.00 66.02 66.74 7a3h s SER 263 CO 0.11 -1.15 1.17 -0.22 0.98 0.00 0.00 173.24 174.12 7a3h s LEU 264 N -2.86 5.10 0.21 2.42 2.96 0.11 -1.01 118.68 125.61 7a3h s LEU 264 Ca 0.08 -2.21 -0.18 0.00 -0.22 0.00 0.00 54.13 51.60 7a3h s LEU 264 Cb -0.03 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.29 7a3h s LEU 264 CO -0.01 -1.00 0.55 0.28 -1.32 0.00 0.00 176.35 174.85 7a3h s THR 265 N 2.44 0.02 -2.27 3.68 -1.32 -1.26 -4.02 115.64 112.91 7a3h s THR 265 Ca 0.34 -0.85 0.22 0.00 -1.21 0.00 0.00 61.69 60.19 7a3h s THR 265 Cb -0.05 -1.69 0.50 0.00 -1.51 0.00 0.00 72.50 69.76 7a3h s THR 265 CO -0.08 -0.08 1.46 0.00 -2.21 0.00 0.00 174.62 173.70 7a3h n HIS 266 N -0.36 0.64 -1.56 9.09 1.44 -1.26 -1.69 115.22 121.52 7a3h n HIS 266 Ca -0.08 -0.32 -0.42 0.00 -2.01 0.00 0.00 57.72 54.89 7a3h n HIS 266 Cb 0.62 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.74 7a3h n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 7a3h n LYS 267 N 1.39 1.07 -2.13 -1.40 4.81 -1.26 -4.21 118.16 116.43 7a3h n LYS 267 Ca 0.20 0.39 -0.42 0.00 -0.87 0.00 0.00 58.31 57.61 7a3h n LYS 267 Cb 0.57 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.76 7a3h n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 7a3h n ASP 268 N 0.73 4.39 -3.83 3.14 2.03 -1.26 -4.64 116.55 117.12 7a3h n ASP 268 Ca 0.10 -2.89 -0.11 0.00 0.52 0.00 0.00 54.79 52.41 7a3h n ASP 268 Cb 0.39 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.02 7a3h n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 7a3h s GLU 269 N 3.44 0.63 0.40 -0.67 -1.05 -1.26 -5.07 118.70 115.11 7a3h s GLU 269 Ca 0.49 -0.46 0.10 0.00 -0.15 0.00 0.00 54.97 54.96 7a3h s GLU 269 Cb 0.09 0.26 0.83 0.00 -0.44 0.00 0.00 34.13 34.88 7a3h s GLU 269 CO -0.01 -0.17 1.95 0.77 0.95 0.00 0.00 175.26 178.74 7a3h h SER 270 N 3.80 0.23 1.02 0.83 0.02 -1.85 -1.76 113.55 115.84 7a3h h SER 270 Ca -0.31 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 7a3h h SER 270 Cb 1.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.67 7a3h h SER 270 CO 0.44 0.34 0.00 0.77 -1.14 0.00 0.00 176.83 177.24 7a3h h SER 271 N 0.24 0.00 -3.52 3.07 4.64 -1.70 -3.40 113.55 112.87 7a3h h SER 271 Ca 0.05 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 7a3h h SER 271 Cb 0.29 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.44 7a3h h SER 271 CO 0.01 0.00 0.72 0.00 -0.87 0.00 0.00 176.83 176.70 7a3h s ALA 272 N -3.29 3.59 -0.37 5.18 0.00 -0.66 -2.51 121.76 123.70 7a3h s ALA 272 Ca 0.06 1.31 0.22 0.00 0.00 0.00 0.00 51.96 53.55 7a3h s ALA 272 Cb 0.10 -3.54 0.36 0.00 0.00 0.00 0.00 23.12 20.04 7a3h s ALA 272 CO 0.48 -0.72 1.61 0.00 0.00 0.00 0.00 175.76 177.13 7a3h h ALA 273 N 4.58 0.95 -3.19 0.00 0.00 -1.07 -3.39 119.26 117.15 7a3h h ALA 273 Ca -0.47 -0.07 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 7a3h h ALA 273 Cb 1.22 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 7a3h h ALA 273 CO 0.74 0.09 -0.81 -0.51 0.00 0.00 0.00 179.25 178.77 7a3h s LEU 274 N -6.25 2.52 0.28 0.00 1.43 -0.68 -1.66 118.68 114.32 7a3h s LEU 274 Ca 0.06 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 7a3h s LEU 274 Cb 0.06 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 7a3h s LEU 274 CO 0.67 0.12 0.50 -0.04 0.23 0.00 0.00 176.35 177.83 7a3h s MET 275 N -2.67 3.54 0.53 1.70 -1.94 -0.21 -4.17 119.30 116.08 7a3h s MET 275 Ca 0.21 -0.25 -0.21 0.00 -1.71 0.00 0.00 55.69 53.74 7a3h s MET 275 Cb -0.08 -2.72 -0.07 0.00 2.01 0.00 0.00 34.83 33.97 7a3h s MET 275 CO 0.11 0.25 1.04 -2.30 -0.01 0.00 0.00 175.02 174.11 7a3h n PRO 276 N -1.17 1.20 0.00 2.03 -0.02 -1.26 -0.77 135.00 135.00 7a3h n PRO 276 Ca -0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 7a3h n PRO 276 Cb 0.55 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 7a3h n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 7a3h n GLY 277 N 1.16 3.18 3.70 -1.23 0.00 -1.26 -5.01 105.19 105.73 7a3h n GLY 277 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 7a3h n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7a3h n ALA 278 N -1.33 2.21 -1.97 4.61 0.00 0.05 -4.90 120.51 119.18 7a3h n ALA 278 Ca 0.00 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 7a3h n ALA 278 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 16.95 7a3h n ALA 278 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 7a3h s ASN 279 N 1.29 6.84 0.09 0.00 3.84 -1.26 -4.89 114.94 120.86 7a3h s ASN 279 Ca 0.77 2.47 0.16 0.00 0.21 0.00 0.00 52.86 56.47 7a3h s ASN 279 Cb -0.57 -2.61 0.68 0.00 -0.55 0.00 0.00 41.25 38.20 7a3h s ASN 279 CO 0.35 -0.57 1.49 -0.81 -2.79 0.00 0.00 177.10 174.78 7a3h n PRO 280 N 2.52 0.06 -0.33 0.43 -0.04 -1.26 -2.01 135.00 134.38 7a3h n PRO 280 Ca 0.06 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 7a3h n PRO 280 Cb 0.42 -1.64 0.29 0.00 -0.04 0.00 0.00 33.50 32.53 7a3h n PRO 280 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 7a3h n THR 281 N -1.76 0.98 -0.34 0.52 -2.24 -1.26 -4.40 114.28 105.78 7a3h n THR 281 Ca 0.02 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 7a3h n THR 281 Cb 0.16 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 7a3h n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 7a3h n GLY 282 N 1.44 -1.81 1.76 3.38 0.00 -0.85 -3.10 105.19 106.00 7a3h n GLY 282 Ca 0.22 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.27 7a3h n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7a3h n GLY 283 N 0.00 0.48 3.75 -0.02 0.00 -1.26 -4.55 105.19 103.58 7a3h n GLY 283 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 7a3h n GLY 283 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 7a3h s TRP 284 N -2.00 2.78 0.81 1.61 0.51 -1.26 -5.02 118.94 116.37 7a3h s TRP 284 Ca 0.00 0.75 -0.12 0.00 -2.12 0.00 0.00 56.10 54.61 7a3h s TRP 284 Cb 0.00 -4.07 0.09 0.00 -0.81 0.00 0.00 33.47 28.69 7a3h s TRP 284 CO 0.00 -3.62 1.17 0.95 -0.51 0.00 0.00 176.95 174.94 7a3h s THR 285 N 0.11 2.04 0.26 2.01 -4.23 -1.26 -4.94 115.64 109.63 7a3h s THR 285 Ca 0.64 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 7a3h s THR 285 Cb -0.48 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.63 7a3h s THR 285 CO 0.46 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 176.38 7a3h h GLU 286 N -1.06 1.22 0.00 3.99 4.81 -1.95 -1.41 114.58 120.18 7a3h h GLU 286 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 7a3h h GLU 286 Cb 1.32 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.42 7a3h h GLU 286 CO 0.62 0.81 0.00 0.00 -0.73 0.00 0.00 179.01 179.70 7a3h h ALA 287 N 1.42 1.00 -0.01 2.92 0.00 -2.01 -2.47 119.26 120.11 7a3h h ALA 287 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 7a3h h ALA 287 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 7a3h h ALA 287 CO -0.11 0.00 -0.17 0.39 0.00 0.00 0.00 179.25 179.36 7a3h n GLU 288 N -2.76 1.35 -3.76 0.00 1.02 -0.54 -4.83 120.64 111.12 7a3h n GLU 288 Ca 0.01 -0.89 -0.36 0.00 -0.02 0.00 0.00 57.16 55.89 7a3h n GLU 288 Cb 0.25 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 7a3h n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 7a3h s LEU 289 N -2.27 4.40 0.93 -4.62 1.43 -0.93 -1.04 118.68 116.59 7a3h s LEU 289 Ca 0.29 0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 53.86 7a3h s LEU 289 Cb 0.20 -2.36 0.15 0.00 0.03 0.00 0.00 46.19 44.21 7a3h s LEU 289 CO 0.44 0.34 1.17 -0.94 0.23 0.00 0.00 176.35 177.59 7a3h s SER 290 N -1.24 3.32 0.30 2.29 1.04 -0.66 -4.70 113.70 114.04 7a3h s SER 290 Ca 0.21 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.45 7a3h s SER 290 Cb -0.13 -1.26 0.55 0.00 0.10 0.00 0.00 66.02 65.27 7a3h s SER 290 CO 0.10 -2.65 1.88 -0.65 0.98 0.00 0.00 173.24 172.90 7a3h h PRO 291 N -1.57 0.98 -0.05 4.02 0.11 -1.89 0.87 132.00 134.47 7a3h h PRO 291 Ca -0.48 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 7a3h h PRO 291 Cb 1.31 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 7a3h h PRO 291 CO 0.56 0.65 0.02 1.03 -0.21 0.00 0.00 178.00 180.05 7a3h h SER 292 N 1.01 0.07 -0.80 -2.05 0.87 -1.81 -2.64 113.55 108.19 7a3h h SER 292 Ca 0.43 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 7a3h h SER 292 Cb 0.32 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 7a3h h SER 292 CO -0.18 0.21 0.48 1.23 -0.53 0.00 0.00 176.83 178.03 7a3h h GLY 293 N -0.08 1.17 0.80 5.77 0.00 -1.47 -0.42 103.07 108.84 7a3h h GLY 293 Ca 0.02 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.89 7a3h h GLY 293 CO -0.00 0.48 0.30 -0.84 0.00 0.00 0.00 176.54 176.47 7a3h h THR 294 N 1.10 1.01 -0.02 4.70 2.02 -0.81 0.02 112.91 120.93 7a3h h THR 294 Ca 0.29 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 7a3h h THR 294 Cb -0.03 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 7a3h h THR 294 CO -0.05 0.11 0.01 0.15 0.37 0.00 0.00 175.52 176.10 7a3h h PHE 295 N 0.58 0.03 -0.60 3.16 3.57 -1.05 -1.75 116.94 120.88 7a3h h PHE 295 Ca 0.22 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 7a3h h PHE 295 Cb 0.08 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 7a3h h PHE 295 CO -0.08 0.18 0.29 0.28 -2.23 0.00 0.00 178.31 176.75 7a3h h VAL 296 N -0.13 1.21 -0.56 1.41 2.07 -0.89 -0.52 116.25 118.85 7a3h h VAL 296 Ca 0.01 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.99 7a3h h VAL 296 Cb 0.16 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 7a3h h VAL 296 CO -0.00 0.24 0.28 -0.09 0.02 0.00 0.00 177.57 178.02 7a3h h ARG 297 N 0.82 0.51 -0.59 1.57 2.43 -0.97 -1.10 114.38 117.05 7a3h h ARG 297 Ca 0.21 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 7a3h h ARG 297 Cb 0.11 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 7a3h h ARG 297 CO -0.03 0.34 0.35 0.93 -1.51 0.00 0.00 179.97 180.05 7a3h h GLU 298 N 0.53 0.67 -0.54 0.20 5.08 -0.73 -0.26 114.58 119.52 7a3h h GLU 298 Ca 0.25 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 7a3h h GLU 298 Cb 0.18 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 7a3h h GLU 298 CO -0.18 0.44 0.36 0.87 -1.00 0.00 0.00 179.01 179.49 7a3h h LYS 299 N 0.69 0.71 -0.19 2.33 1.79 -0.41 -0.71 116.57 120.78 7a3h h LYS 299 Ca 0.24 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.48 7a3h h LYS 299 Cb 0.05 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 7a3h h LYS 299 CO -0.12 0.47 -0.64 0.82 -1.08 0.00 0.00 179.45 178.90 7a3h h ILE 300 N 0.73 1.31 -0.81 1.86 2.04 -0.91 -2.69 117.51 119.03 7a3h h ILE 300 Ca 0.20 -1.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 7a3h h ILE 300 Cb -0.08 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 7a3h h ILE 300 CO -0.04 0.59 0.37 0.03 0.00 0.00 0.00 178.15 179.10 7a3h h ARG 301 N 0.50 1.18 -0.18 2.37 3.08 -0.81 -2.30 114.38 118.23 7a3h h ARG 301 Ca -0.01 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 7a3h h ARG 301 Cb 1.23 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 7a3h h ARG 301 CO 0.13 0.92 -0.09 0.93 -1.07 0.00 0.00 179.97 180.79 7a3h h GLU 302 N 1.16 0.27 0.00 0.04 5.08 -1.05 -3.50 114.58 116.58 7a3h h GLU 302 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 7a3h h GLU 302 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 7a3h h GLU 302 CO -0.03 0.38 0.00 0.45 -1.00 0.00 0.00 179.01 178.81