#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3h h VAL 5 N 0.00 0.16 -0.07 -3.33 2.07 -1.88 0.49 116.25 113.69 2a3h h VAL 5 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2a3h h VAL 5 Cb 0.00 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2a3h h VAL 5 CO 0.00 0.00 -0.44 0.58 0.02 0.00 0.00 177.57 177.73 2a3h h VAL 6 N -0.89 1.32 -0.54 2.57 2.07 -1.73 0.81 116.25 119.86 2a3h h VAL 6 Ca -0.05 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 2a3h h VAL 6 Cb 0.77 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 2a3h h VAL 6 CO -0.03 0.46 -0.07 -0.08 0.02 0.00 0.00 177.57 177.87 2a3h h GLU 7 N 0.12 0.97 0.10 1.57 4.81 -1.78 0.25 114.58 120.63 2a3h h GLU 7 Ca 0.01 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2a3h h GLU 7 Cb 0.83 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2a3h h GLU 7 CO 0.06 1.00 -0.05 1.49 -0.73 0.00 0.00 179.01 180.78 2a3h h GLU 8 N 0.88 -0.13 0.00 1.92 4.81 -0.44 -3.36 114.58 118.24 2a3h h GLU 8 Ca 0.15 0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.13 2a3h h GLU 8 Cb 0.61 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2a3h h GLU 8 CO 0.04 0.36 -1.44 0.45 -0.73 0.00 0.00 179.01 177.69 2a3h h HIS 9 N -0.75 0.00 0.00 0.92 3.86 -0.89 -3.47 115.15 114.82 2a3h h HIS 9 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2a3h h HIS 9 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2a3h h HIS 9 CO 0.10 0.99 0.00 0.41 0.86 0.00 0.00 177.93 180.30 2a3h n GLY 10 N 1.48 3.33 3.67 2.45 0.00 0.88 -1.96 105.19 115.04 2a3h n GLY 10 Ca -0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2a3h n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a3h s GLN 11 N 0.00 4.20 0.21 1.61 2.00 -1.26 -4.77 119.66 121.65 2a3h s GLN 11 Ca 0.00 2.19 -0.04 0.00 -2.00 0.00 0.00 55.36 55.51 2a3h s GLN 11 Cb 0.00 -3.80 -0.05 0.00 0.80 0.00 0.00 33.01 29.96 2a3h s GLN 11 CO 0.00 -0.77 0.44 -0.51 -0.50 0.00 0.00 175.29 173.95 2a3h s LEU 12 N 3.35 4.19 0.33 3.68 1.43 -1.26 -1.40 118.68 129.00 2a3h s LEU 12 Ca 0.72 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.26 2a3h s LEU 12 Cb -0.35 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2a3h s LEU 12 CO 0.30 -0.06 0.64 -0.94 0.23 0.00 0.00 176.35 176.52 2a3h s SER 13 N -2.90 0.16 -0.19 2.29 1.04 -0.45 -4.64 113.70 109.00 2a3h s SER 13 Ca 0.41 -1.09 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 2a3h s SER 13 Cb -0.11 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 2a3h s SER 13 CO 0.28 -1.43 0.03 -0.63 0.98 0.00 0.00 173.24 172.46 2a3h s ILE 14 N -3.10 4.32 -0.13 -1.02 -1.09 -1.26 -0.72 121.20 118.20 2a3h s ILE 14 Ca 0.20 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.40 2a3h s ILE 14 Cb -0.03 -2.95 0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2a3h s ILE 14 CO 0.12 0.44 0.00 -0.55 -1.23 0.00 0.00 174.94 173.72 2a3h s SER 15 N 0.70 2.27 -1.46 3.58 0.15 -0.24 -4.83 113.70 113.87 2a3h s SER 15 Ca 0.01 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 2a3h s SER 15 Cb -0.14 -0.59 0.06 0.00 -1.71 0.00 0.00 66.02 63.64 2a3h s SER 15 CO 0.02 -0.23 0.81 0.59 1.20 0.00 0.00 173.24 175.64 2a3h n ASN 16 N 5.06 -3.02 -0.20 5.45 5.03 -1.26 -1.31 115.26 125.01 2a3h n ASN 16 Ca -0.09 -0.84 -0.03 0.00 0.87 0.00 0.00 54.58 54.50 2a3h n ASN 16 Cb 0.49 -3.74 -0.01 0.00 -1.02 0.00 0.00 39.78 35.49 2a3h n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a3h n GLY 17 N -1.67 0.53 3.34 7.41 0.00 -1.25 -4.98 105.19 108.56 2a3h n GLY 17 Ca -0.10 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 2a3h n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3h s GLU 18 N -1.40 1.51 -0.10 1.61 0.41 -0.43 -3.96 118.70 116.34 2a3h s GLU 18 Ca 0.00 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 53.09 2a3h s GLU 18 Cb 0.00 -1.81 -0.02 0.00 -1.78 0.00 0.00 34.13 30.52 2a3h s GLU 18 CO 0.00 0.45 1.17 -1.17 -0.49 0.00 0.00 175.26 175.22 2a3h s LEU 19 N -1.60 4.24 0.14 1.80 2.96 -1.26 -1.08 118.68 123.88 2a3h s LEU 19 Ca 0.11 1.71 0.06 0.00 -0.22 0.00 0.00 54.13 55.79 2a3h s LEU 19 Cb -0.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2a3h s LEU 19 CO 0.04 -0.60 -0.13 0.68 -1.32 0.00 0.00 176.35 175.01 2a3h s VAL 20 N 2.51 1.37 0.51 1.68 -7.23 0.11 -2.13 120.40 117.22 2a3h s VAL 20 Ca 0.54 -1.87 -0.08 0.00 -1.81 0.00 0.00 61.98 58.76 2a3h s VAL 20 Cb -0.22 -1.68 0.11 0.00 0.56 0.00 0.00 36.38 35.15 2a3h s VAL 20 CO 0.19 -0.51 0.69 -0.46 -0.31 0.00 0.00 175.10 174.70 2a3h n ASN 21 N 0.24 0.16 0.08 4.85 0.23 0.25 -1.34 115.26 119.74 2a3h n ASN 21 Ca -0.13 -1.32 0.09 0.00 -0.53 0.00 0.00 54.58 52.69 2a3h n ASN 21 Cb 0.58 -0.52 0.40 0.00 -2.08 0.00 0.00 39.78 38.16 2a3h n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2a3h n GLU 22 N -2.44 0.11 -0.35 -3.83 0.28 -0.49 -1.19 120.64 112.72 2a3h n GLU 22 Ca 0.09 0.41 0.10 0.00 -0.16 0.00 0.00 57.16 57.60 2a3h n GLU 22 Cb 0.31 -1.73 0.29 0.00 1.43 0.00 0.00 31.44 31.74 2a3h n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2a3h n ARG 23 N -1.94 2.85 -1.00 3.44 1.74 -1.26 -4.97 116.66 115.52 2a3h n ARG 23 Ca 0.02 -2.55 -0.00 0.00 -0.77 0.00 0.00 57.85 54.55 2a3h n ARG 23 Cb 0.16 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2a3h n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a3h n GLY 24 N 1.33 0.48 3.85 -0.13 0.00 -0.33 -5.04 105.19 105.35 2a3h n GLY 24 Ca 0.22 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2a3h n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3h s GLU 25 N -0.30 3.97 0.42 1.61 2.02 -1.26 -4.74 118.70 120.42 2a3h s GLU 25 Ca 0.00 0.51 -0.26 0.00 0.02 0.00 0.00 54.97 55.24 2a3h s GLU 25 Cb 0.00 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.38 2a3h s GLU 25 CO 0.00 0.37 1.46 -0.65 0.02 0.00 0.00 175.26 176.46 2a3h s GLN 26 N -2.37 3.83 0.07 1.61 -0.21 -1.26 -0.58 119.66 120.75 2a3h s GLN 26 Ca 0.44 2.50 0.03 0.00 0.02 0.00 0.00 55.36 58.35 2a3h s GLN 26 Cb -0.13 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 2a3h s GLN 26 CO 0.20 -0.73 -0.10 0.14 -2.12 0.00 0.00 175.29 172.68 2a3h s VAL 27 N -1.17 0.84 -0.10 1.09 -7.23 -0.90 -4.81 120.40 108.12 2a3h s VAL 27 Ca 0.58 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2a3h s VAL 27 Cb -0.45 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.48 2a3h s VAL 27 CO 0.60 -0.41 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.29 2a3h s GLN 28 N -2.11 1.74 0.03 4.82 0.74 -1.26 -4.71 119.66 118.92 2a3h s GLN 28 Ca -0.02 -0.37 -0.10 0.00 0.05 0.00 0.00 55.36 54.92 2a3h s GLN 28 Cb -0.07 -1.62 -0.05 0.00 1.10 0.00 0.00 33.01 32.36 2a3h s GLN 28 CO 0.01 -0.15 0.35 -0.51 -0.55 0.00 0.00 175.29 174.43 2a3h s LEU 29 N 1.29 4.38 -0.04 3.68 1.43 -1.26 -4.98 118.68 123.18 2a3h s LEU 29 Ca -0.02 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2a3h s LEU 29 Cb -0.14 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.35 2a3h s LEU 29 CO -0.04 0.24 0.02 -0.54 0.23 0.00 0.00 176.35 176.26 2a3h s LYS 30 N -1.64 0.16 0.00 1.70 1.02 -1.25 -0.75 119.74 118.97 2a3h s LYS 30 Ca 0.29 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2a3h s LYS 30 Cb -0.14 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 2a3h s LYS 30 CO 0.16 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2a3h n GLY 31 N 4.63 2.53 3.43 -3.33 0.00 -0.76 -2.10 105.19 109.59 2a3h n GLY 31 Ca -0.17 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 2a3h n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a3h s MET 32 N 0.74 1.56 0.04 1.61 -1.94 -1.22 -1.11 119.30 118.97 2a3h s MET 32 Ca 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 2a3h s MET 32 Cb 0.00 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 2a3h s MET 32 CO 0.00 0.46 0.13 0.45 -0.01 0.00 0.00 175.02 176.05 2a3h s SER 33 N -2.12 5.94 1.03 3.03 0.15 0.97 -1.08 113.70 121.61 2a3h s SER 33 Ca 0.16 0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.84 2a3h s SER 33 Cb -0.10 -1.74 0.20 0.00 -1.71 0.00 0.00 66.02 62.67 2a3h s SER 33 CO 0.08 0.21 1.10 -0.94 1.20 0.00 0.00 173.24 174.89 2a3h s SER 34 N -2.19 2.37 0.17 5.45 1.04 -0.30 -0.56 113.70 119.69 2a3h s SER 34 Ca 0.29 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2a3h s SER 34 Cb -0.12 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2a3h s SER 34 CO 0.21 -3.28 0.00 1.57 0.98 0.00 0.00 173.24 172.73 2a3h n HIS 35 N -4.26 -1.38 -1.72 5.02 -0.00 -1.26 -4.50 115.22 107.12 2a3h n HIS 35 Ca 0.06 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.82 2a3h n HIS 35 Cb 0.58 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.42 2a3h n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2a3h n GLY 36 N 5.00 1.50 0.21 1.57 0.00 -1.26 -4.39 105.19 107.81 2a3h n GLY 36 Ca 0.00 0.60 0.15 0.00 0.00 0.00 0.00 46.02 46.77 2a3h n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2a3h h LEU 37 N 6.53 0.00 -0.29 0.99 3.38 -1.80 0.20 115.31 124.33 2a3h h LEU 37 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2a3h h LEU 37 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2a3h h LEU 37 CO 0.94 0.00 0.00 0.06 0.09 0.00 0.00 178.44 179.53 2a3h h GLN 38 N 0.00 0.00 0.00 1.13 -0.00 -1.88 -3.17 115.11 111.19 2a3h h GLN 38 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 2a3h h GLN 38 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.79 2a3h h GLN 38 CO 0.00 0.00 -1.52 0.91 -0.00 0.00 0.00 178.83 178.22 2a3h n TRP 39 N -2.44 0.00 -2.04 0.06 8.01 -0.67 -4.86 117.44 115.49 2a3h n TRP 39 Ca 0.04 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.10 2a3h n TRP 39 Cb 0.39 -0.34 0.07 0.00 -2.01 0.00 0.00 31.31 29.41 2a3h n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2a3h n TYR 40 N -3.12 1.80 0.29 -5.99 4.01 -0.03 -4.84 117.16 109.28 2a3h n TYR 40 Ca -0.18 -1.96 0.18 0.00 -0.16 0.00 0.00 57.90 55.78 2a3h n TYR 40 Cb 0.65 -0.30 0.87 0.00 -0.31 0.00 0.00 39.34 40.26 2a3h n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2a3h h GLY 41 N 1.90 0.00 2.00 2.72 0.00 -1.69 -2.67 103.07 105.33 2a3h h GLY 41 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2a3h h GLY 41 CO 0.48 0.00 -0.07 0.06 0.00 0.00 0.00 176.54 177.01 2a3h h GLN 42 N 0.00 0.00 -0.01 4.80 -0.00 -1.88 -1.99 115.11 116.03 2a3h h GLN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2a3h h GLN 42 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2a3h h GLN 42 CO 0.00 0.07 0.00 1.19 -0.00 0.00 0.00 178.83 180.10 2a3h n PHE 43 N -3.75 0.02 -3.82 0.06 3.72 -1.01 -4.59 117.46 108.09 2a3h n PHE 43 Ca -0.02 -0.01 -0.35 0.00 -0.05 0.00 0.00 57.45 57.02 2a3h n PHE 43 Cb 0.17 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.59 2a3h n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2a3h s VAL 44 N -1.98 3.11 0.23 -4.37 1.01 -0.75 -4.76 120.40 112.89 2a3h s VAL 44 Ca 0.39 -2.31 -0.22 0.00 0.00 0.00 0.00 61.98 59.84 2a3h s VAL 44 Cb 0.18 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.46 2a3h s VAL 44 CO 0.30 -0.71 0.67 0.54 0.00 0.00 0.00 175.10 175.91 2a3h s ASN 45 N 1.37 -0.38 0.17 3.32 2.20 -1.26 -4.88 114.94 115.48 2a3h s ASN 45 Ca 0.10 -0.37 -0.15 0.00 -0.94 0.00 0.00 52.86 51.51 2a3h s ASN 45 Cb -0.22 0.68 0.12 0.00 -2.00 0.00 0.00 41.25 39.83 2a3h s ASN 45 CO -0.05 -1.20 1.74 0.22 -2.94 0.00 0.00 177.10 174.87 2a3h h TYR 46 N 2.00 0.22 -0.37 1.54 3.20 -1.96 -1.27 116.97 120.33 2a3h h TYR 46 Ca -0.25 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 2a3h h TYR 46 Cb 1.27 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 2a3h h TYR 46 CO 0.35 0.06 0.17 1.49 -1.64 0.00 0.00 178.16 178.60 2a3h h GLU 47 N 0.28 0.54 -0.40 1.82 4.81 -1.95 -0.13 114.58 119.55 2a3h h GLU 47 Ca 0.20 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2a3h h GLU 47 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2a3h h GLU 47 CO -0.23 0.49 -0.17 0.66 -0.73 0.00 0.00 179.01 179.03 2a3h h SER 48 N 0.46 0.74 -0.25 1.04 4.64 -1.48 -1.31 113.55 117.41 2a3h h SER 48 Ca 0.13 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 2a3h h SER 48 Cb 0.13 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2a3h h SER 48 CO -0.02 0.92 -0.15 -0.03 -0.87 0.00 0.00 176.83 176.68 2a3h h MET 49 N 0.66 0.67 -0.44 4.77 1.85 -1.06 0.01 114.93 121.40 2a3h h MET 49 Ca 0.10 -0.23 -0.12 0.00 -0.61 0.00 0.00 59.70 58.84 2a3h h MET 49 Cb 0.65 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.62 2a3h h MET 49 CO 0.05 0.79 -0.21 -0.22 -0.40 0.00 0.00 176.91 176.92 2a3h h LYS 50 N 0.61 0.89 -0.52 0.39 3.64 -0.82 -0.12 116.57 120.64 2a3h h LYS 50 Ca 0.10 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2a3h h LYS 50 Cb 0.60 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2a3h h LYS 50 CO 0.04 1.02 0.22 2.35 -2.27 0.00 0.00 179.45 180.81 2a3h h TRP 51 N 0.77 0.78 -0.57 1.91 2.91 -0.76 0.10 115.95 121.10 2a3h h TRP 51 Ca 0.10 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 2a3h h TRP 51 Cb 0.76 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.15 2a3h h TRP 51 CO 0.05 0.63 0.31 -0.07 -1.03 0.00 0.00 178.44 178.32 2a3h h LEU 52 N 0.70 0.71 -0.22 0.65 3.38 -0.82 0.24 115.31 119.95 2a3h h LEU 52 Ca 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2a3h h LEU 52 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2a3h h LEU 52 CO -0.02 0.61 0.07 -0.09 0.09 0.00 0.00 178.44 179.10 2a3h h ARG 53 N 0.76 0.33 0.22 1.13 2.43 -0.69 -1.01 114.38 117.56 2a3h h ARG 53 Ca 0.20 -0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 59.00 2a3h h ARG 53 Cb 0.06 -0.05 0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2a3h h ARG 53 CO -0.03 0.42 -1.32 -0.44 -1.51 0.00 0.00 179.97 177.08 2a3h h ASP 54 N 0.19 0.74 0.26 -3.80 3.32 -0.54 -2.77 116.42 113.82 2a3h h ASP 54 Ca 0.07 -0.93 -0.34 0.00 0.02 0.00 0.00 57.03 55.85 2a3h h ASP 54 Cb 0.22 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2a3h h ASP 54 CO -0.00 1.64 -1.84 -0.78 -1.72 0.00 0.00 179.24 176.54 2a3h h ASP 55 N 0.01 0.36 0.50 6.45 3.58 -0.64 -3.39 116.42 123.28 2a3h h ASP 55 Ca -0.23 -0.71 -0.17 0.00 0.42 0.00 0.00 57.03 56.34 2a3h h ASP 55 Cb 2.03 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 42.93 2a3h h ASP 55 CO 0.24 1.62 -1.64 0.79 -2.88 0.00 0.00 179.24 177.37 2a3h n TRP 56 N -3.41 0.69 -0.89 0.28 7.02 -0.69 -4.92 117.44 115.53 2a3h n TRP 56 Ca -0.26 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2a3h n TRP 56 Cb 1.05 -0.99 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 2a3h n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2a3h n GLY 57 N 1.43 0.54 3.74 6.99 0.00 -0.47 -2.84 105.19 114.59 2a3h n GLY 57 Ca -0.12 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 2a3h n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2a3h s ILE 58 N -2.00 2.35 0.00 -0.61 -4.36 -0.96 -4.93 121.20 110.69 2a3h s ILE 58 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.60 2a3h s ILE 58 Cb 0.00 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.69 2a3h s ILE 58 CO 0.00 -0.06 0.76 -0.46 0.24 0.00 0.00 174.94 175.43 2a3h n ASN 59 N -1.94 1.21 -3.72 4.36 0.23 -0.89 -4.55 115.26 109.96 2a3h n ASN 59 Ca 0.14 -1.57 -0.14 0.00 -0.53 0.00 0.00 54.58 52.49 2a3h n ASN 59 Cb 0.49 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.11 2a3h n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2a3h s VAL 60 N -0.57 0.05 -0.02 3.53 0.11 -1.25 -1.77 120.40 120.48 2a3h s VAL 60 Ca 0.00 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 2a3h s VAL 60 Cb 0.00 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2a3h s VAL 60 CO 0.00 -0.21 -0.04 0.12 -3.33 0.00 0.00 175.10 171.64 2a3h s PHE 61 N -1.28 0.53 -0.19 1.54 5.36 -0.62 -3.39 117.98 119.93 2a3h s PHE 61 Ca -0.13 -0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 55.69 2a3h s PHE 61 Cb -0.04 -0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 42.16 2a3h s PHE 61 CO 0.05 -0.10 -0.02 0.50 -1.46 0.00 0.00 175.22 174.19 2a3h s ARG 62 N 0.50 3.60 -0.47 10.12 3.52 -0.24 -1.34 118.95 134.64 2a3h s ARG 62 Ca -0.06 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 54.83 2a3h s ARG 62 Cb -0.09 -3.01 0.05 0.00 -1.56 0.00 0.00 34.95 30.34 2a3h s ARG 62 CO -0.00 0.07 0.50 0.00 -0.81 0.00 0.00 175.30 175.05 2a3h s ALA 63 N 0.84 3.45 -0.82 6.12 0.00 -0.38 -1.15 121.76 129.81 2a3h s ALA 63 Ca -0.00 -1.75 -0.22 0.00 0.00 0.00 0.00 51.96 49.98 2a3h s ALA 63 Cb -0.14 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 19.89 2a3h s ALA 63 CO 0.02 -1.78 1.15 0.00 0.00 0.00 0.00 175.76 175.15 2a3h s ALA 64 N 2.19 3.06 -0.89 0.00 0.00 -1.26 -2.32 121.76 122.54 2a3h s ALA 64 Ca 0.11 -2.14 -0.17 0.00 0.00 0.00 0.00 51.96 49.76 2a3h s ALA 64 Cb -0.20 -4.11 0.16 0.00 0.00 0.00 0.00 23.12 18.97 2a3h s ALA 64 CO 0.11 -3.08 1.01 1.41 0.00 0.00 0.00 175.76 175.21 2a3h s MET 65 N 4.07 3.59 0.44 0.00 1.75 -0.71 -2.26 119.30 126.18 2a3h s MET 65 Ca 0.32 -1.97 -0.23 0.00 -1.25 0.00 0.00 55.69 52.56 2a3h s MET 65 Cb -0.09 -4.75 -0.10 0.00 2.84 0.00 0.00 34.83 32.73 2a3h s MET 65 CO 0.01 -1.62 0.92 0.66 -0.65 0.00 0.00 175.02 174.34 2a3h n TYR 66 N 5.74 0.83 -0.11 4.11 4.02 -1.26 -1.38 117.16 129.10 2a3h n TYR 66 Ca 0.20 0.55 -0.24 0.00 -0.01 0.00 0.00 57.90 58.40 2a3h n TYR 66 Cb 0.48 -2.17 -0.11 0.00 -0.02 0.00 0.00 39.34 37.52 2a3h n TYR 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2a3h n THR 67 N -0.72 1.53 -1.24 -0.72 -2.24 -1.13 -1.05 114.28 108.72 2a3h n THR 67 Ca 0.10 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2a3h n THR 67 Cb 0.40 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 2a3h n THR 67 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2a3h n SER 68 N -4.38 0.00 -4.03 3.42 2.88 -1.26 -0.91 113.62 109.33 2a3h n SER 68 Ca -0.38 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.83 2a3h n SER 68 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 2a3h n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2a3h n SER 69 N 0.00 -4.07 0.00 -3.46 7.64 -1.26 -0.59 113.62 111.88 2a3h n SER 69 Ca 0.00 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.00 2a3h n SER 69 Cb 0.00 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 2a3h n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3h n GLY 70 N -1.58 0.61 0.00 0.23 0.00 -1.26 -5.01 105.19 98.18 2a3h n GLY 70 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2a3h n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3h n GLY 71 N -2.75 0.95 0.37 -0.02 0.00 0.25 -4.48 105.19 99.50 2a3h n GLY 71 Ca 0.00 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.63 2a3h n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2a3h h TYR 72 N 0.00 0.94 -0.33 1.61 3.20 -0.72 0.93 116.97 122.59 2a3h h TYR 72 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2a3h h TYR 72 Cb 0.00 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2a3h h TYR 72 CO 0.00 0.38 -0.23 0.82 -1.64 0.00 0.00 178.16 177.49 2a3h h ILE 73 N 0.83 1.27 0.04 1.81 1.08 -1.30 -2.38 117.51 118.85 2a3h h ILE 73 Ca 0.45 -1.30 -0.25 0.00 -0.39 0.00 0.00 64.86 63.36 2a3h h ILE 73 Cb 0.55 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 2a3h h ILE 73 CO -0.21 0.43 -1.27 0.44 -0.69 0.00 0.00 178.15 176.85 2a3h h ASP 74 N 0.57 0.12 -1.78 1.72 3.32 -1.49 -3.42 116.42 115.46 2a3h h ASP 74 Ca 0.08 -0.15 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 2a3h h ASP 74 Cb 0.70 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 39.92 2a3h h ASP 74 CO 0.05 1.12 -0.56 -0.62 -1.72 0.00 0.00 179.24 177.51 2a3h s ASP 75 N -6.68 0.62 0.00 6.45 -1.08 0.24 -5.02 116.67 111.19 2a3h s ASP 75 Ca -0.03 -0.55 0.20 0.00 -0.52 0.00 0.00 52.55 51.65 2a3h s ASP 75 Cb 0.09 0.98 0.99 0.00 -1.46 0.00 0.00 42.92 43.53 2a3h s ASP 75 CO 0.83 -0.35 1.61 -0.81 0.52 0.00 0.00 175.17 176.97 2a3h n PRO 76 N 5.24 0.29 0.28 4.34 -0.04 -0.91 -3.24 135.00 140.97 2a3h n PRO 76 Ca 0.01 0.10 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 2a3h n PRO 76 Cb 0.49 -1.50 0.90 0.00 -0.04 0.00 0.00 33.50 33.35 2a3h n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2a3h h SER 77 N 0.00 0.00 0.13 3.54 4.64 -1.93 -1.63 113.55 118.30 2a3h h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a3h h SER 77 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2a3h h SER 77 CO 0.00 0.00 0.00 1.62 -0.87 0.00 0.00 176.83 177.58 2a3h h VAL 78 N 0.00 0.00 -0.03 0.95 3.04 -1.92 -1.63 116.25 116.66 2a3h h VAL 78 Ca 0.02 -0.06 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 2a3h h VAL 78 Cb 0.10 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2a3h h VAL 78 CO -0.00 0.00 -0.06 0.07 -1.01 0.00 0.00 177.57 176.57 2a3h h LYS 79 N 0.00 0.05 0.00 4.17 2.10 -1.59 -1.39 116.57 119.91 2a3h h LYS 79 Ca 0.00 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.57 2a3h h LYS 79 Cb 0.06 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2a3h h LYS 79 CO 0.00 0.11 -0.36 0.93 -2.00 0.00 0.00 179.45 178.14 2a3h h GLU 80 N 0.05 0.00 -0.30 0.07 4.39 -1.51 -1.83 114.58 115.45 2a3h h GLU 80 Ca 0.01 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 2a3h h GLU 80 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2a3h h GLU 80 CO 0.01 0.36 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.64 2a3h h LYS 81 N 0.00 0.67 -0.21 2.33 1.63 -1.41 -0.96 116.57 118.62 2a3h h LYS 81 Ca -0.00 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 2a3h h LYS 81 Cb 0.63 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2a3h h LYS 81 CO 0.05 0.93 0.13 0.28 -3.45 0.00 0.00 179.45 177.38 2a3h h VAL 82 N 0.56 1.04 -0.96 2.00 2.07 -1.13 -0.76 116.25 119.07 2a3h h VAL 82 Ca 0.06 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2a3h h VAL 82 Cb 0.87 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2a3h h VAL 82 CO 0.08 0.05 0.64 0.11 0.02 0.00 0.00 177.57 178.46 2a3h h LYS 83 N 0.27 1.23 -0.80 1.57 1.57 -1.05 -0.31 116.57 119.05 2a3h h LYS 83 Ca 0.08 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2a3h h LYS 83 Cb -0.02 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 31.97 2a3h h LYS 83 CO -0.02 0.82 0.39 1.49 -0.57 0.00 0.00 179.45 181.55 2a3h h GLU 84 N 1.27 1.14 -0.58 3.15 4.81 -0.73 -1.63 114.58 122.02 2a3h h GLU 84 Ca 0.37 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2a3h h GLU 84 Cb -0.09 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 2a3h h GLU 84 CO -0.09 0.88 0.17 0.00 -0.73 0.00 0.00 179.01 179.24 2a3h h ALA 85 N 1.20 0.76 -0.39 2.92 0.00 0.01 -0.99 119.26 122.78 2a3h h ALA 85 Ca 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2a3h h ALA 85 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2a3h h ALA 85 CO -0.04 0.44 0.23 0.28 0.00 0.00 0.00 179.25 180.16 2a3h h VAL 86 N 0.82 1.14 -0.61 0.00 2.07 -0.81 -0.72 116.25 118.13 2a3h h VAL 86 Ca 0.19 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2a3h h VAL 86 Cb 0.30 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2a3h h VAL 86 CO -0.00 0.14 0.02 -0.33 0.02 0.00 0.00 177.57 177.41 2a3h h GLU 87 N 0.51 1.06 -0.60 1.57 5.08 -1.19 -0.32 114.58 120.69 2a3h h GLU 87 Ca 0.14 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2a3h h GLU 87 Cb 0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2a3h h GLU 87 CO -0.02 1.02 0.35 0.00 -1.00 0.00 0.00 179.01 179.36 2a3h h ALA 88 N 1.03 0.76 -0.48 3.43 0.00 -0.98 0.14 119.26 123.16 2a3h h ALA 88 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2a3h h ALA 88 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2a3h h ALA 88 CO 0.03 0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.80 2a3h h ALA 89 N 1.17 0.61 -0.44 0.00 0.00 -0.50 0.60 119.26 120.70 2a3h h ALA 89 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2a3h h ALA 89 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2a3h h ALA 89 CO -0.04 0.14 0.24 0.82 0.00 0.00 0.00 179.25 180.41 2a3h h ILE 90 N 0.63 1.16 -0.20 0.00 2.04 -0.78 0.10 117.51 120.47 2a3h h ILE 90 Ca 0.17 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 2a3h h ILE 90 Cb 0.06 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2a3h h ILE 90 CO -0.03 0.17 -0.11 0.44 0.00 0.00 0.00 178.15 178.63 2a3h h ASP 91 N 0.57 0.30 0.17 1.72 3.32 0.19 -2.87 116.42 119.82 2a3h h ASP 91 Ca 0.15 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2a3h h ASP 91 Cb 0.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2a3h h ASP 91 CO -0.02 0.45 -0.34 0.18 -1.72 0.00 0.00 179.24 177.78 2a3h n LEU 92 N -4.27 1.29 -3.18 1.55 4.77 0.12 -4.97 117.00 112.31 2a3h n LEU 92 Ca -0.00 -0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 55.40 2a3h n LEU 92 Cb 0.27 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 2a3h n LEU 92 CO 0.38 0.24 0.16 -0.67 -1.33 0.00 0.00 177.39 176.17 2a3h n ASP 93 N -0.51 -3.93 -4.48 -1.43 2.03 -0.06 -4.79 116.55 103.38 2a3h n ASP 93 Ca 0.11 -0.51 -0.23 0.00 0.52 0.00 0.00 54.79 54.68 2a3h n ASP 93 Cb 0.38 -4.53 -0.11 0.00 -0.72 0.00 0.00 41.12 36.15 2a3h n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2a3h s ILE 94 N -3.30 1.54 0.60 5.18 -4.36 -0.67 -1.91 121.20 118.27 2a3h s ILE 94 Ca 0.26 -2.05 -0.13 0.00 -0.26 0.00 0.00 60.65 58.47 2a3h s ILE 94 Cb -0.11 -2.71 -0.05 0.00 1.25 0.00 0.00 42.46 40.84 2a3h s ILE 94 CO 0.64 -0.11 1.02 -0.31 0.24 0.00 0.00 174.94 176.42 2a3h s TYR 95 N -3.06 3.52 -0.06 1.37 2.02 -0.73 -4.40 117.35 116.01 2a3h s TYR 95 Ca 0.34 1.35 -0.04 0.00 -0.37 0.00 0.00 57.07 58.35 2a3h s TYR 95 Cb 0.07 -2.76 0.03 0.00 -0.40 0.00 0.00 41.96 38.90 2a3h s TYR 95 CO 0.15 -0.66 0.15 0.54 -1.57 0.00 0.00 175.55 174.15 2a3h s VAL 96 N -3.00 -0.03 -0.22 0.71 0.11 -0.11 -1.58 120.40 116.27 2a3h s VAL 96 Ca 0.56 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.64 2a3h s VAL 96 Cb -0.11 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2a3h s VAL 96 CO 0.48 0.05 0.11 -0.63 -3.33 0.00 0.00 175.10 171.77 2a3h s ILE 97 N 0.78 4.99 -0.52 7.04 1.01 -0.45 -1.37 121.20 132.68 2a3h s ILE 97 Ca -0.06 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 2a3h s ILE 97 Cb -0.08 -3.30 0.06 0.00 0.01 0.00 0.00 42.46 39.15 2a3h s ILE 97 CO -0.04 0.39 0.69 -0.63 0.00 0.00 0.00 174.94 175.35 2a3h s ILE 98 N 0.90 4.78 -0.30 2.92 1.01 -0.14 -1.25 121.20 129.11 2a3h s ILE 98 Ca 0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 2a3h s ILE 98 Cb -0.13 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 2a3h s ILE 98 CO 0.03 -0.87 0.14 -0.62 0.00 0.00 0.00 174.94 173.61 2a3h s ASP 99 N 2.73 5.46 -0.96 3.58 2.15 -0.98 -0.04 116.67 128.63 2a3h s ASP 99 Ca 0.18 -0.50 -0.22 0.00 0.43 0.00 0.00 52.55 52.44 2a3h s ASP 99 Cb -0.18 -1.98 0.08 0.00 -0.30 0.00 0.00 42.92 40.54 2a3h s ASP 99 CO 0.13 -0.17 1.31 0.86 -0.17 0.00 0.00 175.17 177.12 2a3h s TRP 100 N 1.60 2.73 -1.31 -5.34 -0.11 -0.14 -1.73 118.94 114.64 2a3h s TRP 100 Ca 0.05 -0.98 -0.15 0.00 1.22 0.00 0.00 56.10 56.24 2a3h s TRP 100 Cb -0.17 -4.53 0.10 0.00 -1.50 0.00 0.00 33.47 27.37 2a3h s TRP 100 CO 0.06 -1.78 1.79 1.58 -4.62 0.00 0.00 176.95 173.97 2a3h n HIS 101 N 8.04 4.30 -2.11 5.86 -0.00 -0.48 -1.50 115.22 129.33 2a3h n HIS 101 Ca 0.26 -2.99 -0.33 0.00 0.46 0.00 0.00 57.72 55.13 2a3h n HIS 101 Cb 0.50 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 2a3h n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 2a3h s ILE 102 N 2.89 3.89 0.00 3.57 -4.36 -1.26 -2.82 121.20 123.12 2a3h s ILE 102 Ca 0.48 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.78 2a3h s ILE 102 Cb 0.05 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.33 2a3h s ILE 102 CO 0.02 -0.52 0.00 -0.11 0.24 0.00 0.00 174.94 174.57 2a3h n LEU 103 N -1.93 0.00 0.17 0.37 7.94 -1.26 -3.24 117.00 119.04 2a3h n LEU 103 Ca 0.08 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.00 2a3h n LEU 103 Cb 0.53 0.20 0.28 0.00 0.53 0.00 0.00 43.42 44.96 2a3h n LEU 103 CO 0.47 -0.20 0.62 0.77 -1.11 0.00 0.00 177.39 177.94 2a3h h SER 104 N 0.00 0.00 -1.27 1.96 4.64 -1.92 -3.06 113.55 113.90 2a3h h SER 104 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 2a3h h SER 104 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2a3h h SER 104 CO 0.00 0.47 1.96 -0.90 -0.87 0.00 0.00 176.83 177.49 2a3h n ASP 105 N -3.83 5.01 0.22 4.97 5.75 -1.26 -4.81 116.55 122.60 2a3h n ASP 105 Ca -0.01 -2.94 0.15 0.00 -0.01 0.00 0.00 54.79 51.98 2a3h n ASP 105 Cb 0.52 -1.68 0.55 0.00 -1.03 0.00 0.00 41.12 39.47 2a3h n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2a3h h ASN 106 N 7.35 0.00 -3.33 -1.12 -1.07 -1.83 -3.41 115.58 112.17 2a3h h ASN 106 Ca 0.41 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 56.15 2a3h h ASN 106 Cb 0.86 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 36.91 2a3h h ASN 106 CO 1.40 0.00 -0.63 -0.62 0.07 0.00 0.00 177.43 177.66 2a3h s ASP 107 N -5.36 5.12 0.64 6.14 -1.08 -1.26 -1.77 116.67 119.10 2a3h s ASP 107 Ca 0.03 -0.07 0.42 0.00 -0.52 0.00 0.00 52.55 52.42 2a3h s ASP 107 Cb 0.09 -1.86 2.21 0.00 -1.46 0.00 0.00 42.92 41.90 2a3h s ASP 107 CO 0.53 0.15 2.29 1.55 0.52 0.00 0.00 175.17 180.21 2a3h h PRO 108 N 6.87 0.00 0.00 4.34 0.13 -1.91 -2.07 132.00 139.35 2a3h h PRO 108 Ca -0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2a3h h PRO 108 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2a3h h PRO 108 CO 0.65 0.00 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.51 2a3h h ASN 109 N 0.00 0.00 -0.11 1.44 2.35 -1.94 -3.18 115.58 114.15 2a3h h ASN 109 Ca -0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2a3h h ASN 109 Cb 0.11 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 2a3h h ASN 109 CO 0.00 0.01 -0.27 0.40 -1.65 0.00 0.00 177.43 175.91 2a3h h ILE 110 N 0.00 0.37 -0.83 2.81 2.04 -1.74 -2.73 117.51 117.42 2a3h h ILE 110 Ca -0.00 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 65.29 2a3h h ILE 110 Cb 0.51 0.37 -0.33 0.00 -0.74 0.00 0.00 36.82 36.62 2a3h h ILE 110 CO 0.00 0.00 0.06 -1.22 0.00 0.00 0.00 178.15 176.99 2a3h n TYR 111 N -5.39 2.81 0.00 1.37 4.01 -1.24 -4.75 117.16 113.98 2a3h n TYR 111 Ca -0.03 -2.51 -0.02 0.00 -0.16 0.00 0.00 57.90 55.17 2a3h n TYR 111 Cb 0.30 -0.87 0.23 0.00 -0.31 0.00 0.00 39.34 38.69 2a3h n TYR 111 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 2a3h h LYS 112 N 1.94 0.52 -0.42 -0.72 2.10 -1.46 0.04 116.57 118.58 2a3h h LYS 112 Ca 0.47 -0.16 -0.04 0.00 -2.00 0.00 0.00 60.65 58.92 2a3h h LYS 112 Cb 1.27 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 2a3h h LYS 112 CO 1.11 0.65 0.09 0.93 -2.00 0.00 0.00 179.45 180.23 2a3h h GLU 113 N 0.48 0.67 -0.78 0.07 4.39 -1.85 -1.08 114.58 116.47 2a3h h GLU 113 Ca 0.08 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 2a3h h GLU 113 Cb 0.53 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2a3h h GLU 113 CO 0.03 0.69 0.30 0.93 -1.16 0.00 0.00 179.01 179.81 2a3h h GLU 114 N 0.54 1.17 -0.73 2.33 3.07 -1.81 -2.10 114.58 117.05 2a3h h GLU 114 Ca 0.13 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2a3h h GLU 114 Cb 0.33 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 2a3h h GLU 114 CO 0.00 0.95 0.44 0.00 -1.40 0.00 0.00 179.01 179.01 2a3h h ALA 115 N 1.19 0.92 -0.60 3.43 0.00 -0.77 0.52 119.26 123.95 2a3h h ALA 115 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2a3h h ALA 115 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2a3h h ALA 115 CO -0.02 0.39 0.10 0.87 0.00 0.00 0.00 179.25 180.58 2a3h h LYS 116 N 0.99 1.00 -0.42 0.00 1.57 -0.89 0.37 116.57 119.19 2a3h h LYS 116 Ca 0.26 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2a3h h LYS 116 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2a3h h LYS 116 CO -0.05 0.94 0.10 -0.44 -0.57 0.00 0.00 179.45 179.44 2a3h h ASP 117 N 0.91 0.64 0.00 0.86 3.32 -1.13 -0.54 116.42 120.47 2a3h h ASP 117 Ca 0.18 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2a3h h ASP 117 Cb 0.43 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2a3h h ASP 117 CO 0.01 0.70 -0.01 0.15 -1.72 0.00 0.00 179.24 178.37 2a3h h PHE 118 N 0.54 -0.02 -0.00 4.55 3.57 -0.67 -1.57 116.94 123.34 2a3h h PHE 118 Ca 0.13 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 2a3h h PHE 118 Cb 0.31 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2a3h h PHE 118 CO 0.02 -0.02 -0.38 0.74 -2.23 0.00 0.00 178.31 176.44 2a3h h PHE 119 N -0.02 0.00 -0.16 0.41 0.04 -0.87 0.22 116.94 116.57 2a3h h PHE 119 Ca 0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2a3h h PHE 119 Cb 0.02 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2a3h h PHE 119 CO -0.09 0.38 0.07 0.22 -0.60 0.00 0.00 178.31 178.29 2a3h h ASP 120 N 0.00 0.23 -0.25 2.17 3.58 -0.91 -1.23 116.42 120.00 2a3h h ASP 120 Ca -0.00 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 2a3h h ASP 120 Cb 0.68 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2a3h h ASP 120 CO 0.05 0.33 0.09 -0.08 -2.88 0.00 0.00 179.24 176.75 2a3h h GLU 121 N 0.11 0.39 -0.47 0.28 4.81 -0.77 0.09 114.58 119.02 2a3h h GLU 121 Ca 0.05 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 2a3h h GLU 121 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2a3h h GLU 121 CO -0.00 0.44 -0.04 0.52 -0.73 0.00 0.00 179.01 179.20 2a3h h MET 122 N 0.25 0.86 -0.05 1.92 2.86 -0.97 -1.03 114.93 118.78 2a3h h MET 122 Ca 0.08 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.31 2a3h h MET 122 Cb 0.21 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2a3h h MET 122 CO -0.00 0.92 -0.50 0.66 1.06 0.00 0.00 176.91 179.05 2a3h h SER 123 N 0.71 0.14 -0.46 1.22 4.64 -1.17 -0.08 113.55 118.56 2a3h h SER 123 Ca 0.13 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 2a3h h SER 123 Cb 0.56 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2a3h h SER 123 CO 0.03 0.62 -0.23 -0.08 -0.87 0.00 0.00 176.83 176.29 2a3h h GLU 124 N 0.10 0.98 0.01 4.77 4.81 -0.64 -0.09 114.58 124.51 2a3h h GLU 124 Ca 0.00 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2a3h h GLU 124 Cb 0.92 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2a3h h GLU 124 CO 0.07 1.10 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.38 2a3h h LEU 125 N 0.84 -0.01 -2.68 1.64 3.38 -0.96 -3.37 115.31 114.15 2a3h h LEU 125 Ca 0.10 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2a3h h LEU 125 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2a3h h LEU 125 CO 0.07 0.40 0.00 -1.22 0.09 0.00 0.00 178.44 177.78 2a3h n TYR 126 N -4.90 0.32 0.29 1.13 4.01 -0.07 -4.69 117.16 113.26 2a3h n TYR 126 Ca -0.08 -0.43 0.17 0.00 -0.16 0.00 0.00 57.90 57.40 2a3h n TYR 126 Cb 0.22 -0.03 0.82 0.00 -0.31 0.00 0.00 39.34 40.03 2a3h n TYR 126 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2a3h h GLY 127 N 1.67 0.00 -3.55 2.72 0.00 -1.15 -1.28 103.07 101.48 2a3h h GLY 127 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2a3h h GLY 127 CO 0.00 0.00 0.48 1.34 0.00 0.00 0.00 176.54 178.36 2a3h n ASP 128 N -2.72 4.03 -4.32 0.19 2.03 -1.26 -4.76 116.55 109.74 2a3h n ASP 128 Ca -0.01 -3.68 -0.30 0.00 0.52 0.00 0.00 54.79 51.32 2a3h n ASP 128 Cb 0.14 -0.80 -0.15 0.00 -0.72 0.00 0.00 41.12 39.59 2a3h n ASP 128 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2a3h s TYR 129 N -3.37 2.28 -1.37 -0.67 1.51 -0.49 -5.03 117.35 110.21 2a3h s TYR 129 Ca 0.55 -0.42 0.29 0.00 -1.01 0.00 0.00 57.07 56.48 2a3h s TYR 129 Cb 0.47 -1.41 1.30 0.00 -0.11 0.00 0.00 41.96 42.20 2a3h s TYR 129 CO 0.07 0.05 1.92 -0.35 -1.11 0.00 0.00 175.55 176.13 2a3h n PRO 130 N 2.10 0.38 0.16 -1.71 -0.04 -1.26 -3.98 135.00 130.66 2a3h n PRO 130 Ca -0.16 -0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.24 2a3h n PRO 130 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 2a3h n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2a3h h ASN 131 N 0.17 0.00 -3.58 3.54 4.21 -1.89 -3.43 115.58 114.59 2a3h h ASN 131 Ca 0.00 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.00 2a3h h ASN 131 Cb 0.37 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2a3h h ASN 131 CO 0.00 0.48 0.45 -0.69 -1.29 0.00 0.00 177.43 176.39 2a3h s VAL 132 N -3.83 3.95 -0.09 2.81 1.01 -1.26 -0.94 120.40 122.06 2a3h s VAL 132 Ca -0.02 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2a3h s VAL 132 Cb 0.13 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2a3h s VAL 132 CO 0.73 0.30 -0.08 -0.63 0.00 0.00 0.00 175.10 175.42 2a3h s ILE 133 N -0.30 0.95 -0.18 2.22 1.01 -0.47 -4.25 121.20 120.18 2a3h s ILE 133 Ca 0.48 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 2a3h s ILE 133 Cb -0.28 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2a3h s ILE 133 CO 0.34 0.34 0.23 -0.31 0.00 0.00 0.00 174.94 175.55 2a3h s TYR 134 N 1.38 3.44 -0.39 3.97 2.02 -0.60 -0.96 117.35 126.21 2a3h s TYR 134 Ca -0.02 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.19 2a3h s TYR 134 Cb -0.14 -2.28 0.11 0.00 -0.40 0.00 0.00 41.96 39.25 2a3h s TYR 134 CO -0.04 0.25 0.13 -2.00 -1.57 0.00 0.00 175.55 172.32 2a3h s GLU 135 N 0.46 1.73 0.01 -0.62 2.12 0.95 -0.21 118.70 123.14 2a3h s GLU 135 Ca 0.13 -1.93 0.27 0.00 0.36 0.00 0.00 54.97 53.80 2a3h s GLU 135 Cb -0.12 -3.37 1.13 0.00 0.26 0.00 0.00 34.13 32.03 2a3h s GLU 135 CO 0.02 -1.01 1.85 0.44 -0.54 0.00 0.00 175.26 176.02 2a3h n ILE 136 N 4.28 0.18 -2.99 -3.70 -5.35 -1.03 -0.97 119.36 109.78 2a3h n ILE 136 Ca 0.02 0.03 -0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2a3h n ILE 136 Cb 0.41 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 2a3h n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a3h s ALA 137 N -3.00 -2.89 0.00 -1.28 0.00 -1.25 -4.72 121.76 108.62 2a3h s ALA 137 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2a3h s ALA 137 Cb 0.17 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2a3h s ALA 137 CO 0.49 -2.30 0.62 -1.71 0.00 0.00 0.00 175.76 172.85 2a3h n ASN 138 N 3.84 0.00 -3.55 0.00 5.15 -0.56 -3.31 115.26 116.82 2a3h n ASN 138 Ca 0.11 0.62 -0.28 0.00 -0.60 0.00 0.00 54.58 54.43 2a3h n ASN 138 Cb 0.59 -0.24 -0.11 0.00 -0.53 0.00 0.00 39.78 39.48 2a3h n ASN 138 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2a3h s GLU 139 N -2.26 1.13 0.35 1.20 2.02 -1.20 -4.62 118.70 115.31 2a3h s GLU 139 Ca 0.00 -2.09 -0.27 0.00 0.02 0.00 0.00 54.97 52.62 2a3h s GLU 139 Cb 0.00 -1.87 -0.12 0.00 0.10 0.00 0.00 34.13 32.23 2a3h s GLU 139 CO 0.00 -1.29 1.20 -2.30 0.02 0.00 0.00 175.26 172.89 2a3h n PRO 140 N 3.13 1.87 -3.76 0.39 -0.02 -1.26 -4.52 135.00 130.83 2a3h n PRO 140 Ca 0.20 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 2a3h n PRO 140 Cb 0.41 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2a3h n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2a3h s ASN 141 N -0.43 -0.27 0.00 2.55 2.20 -0.73 -0.91 114.94 117.36 2a3h s ASN 141 Ca 0.57 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.98 2a3h s ASN 141 Cb -0.59 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.28 2a3h s ASN 141 CO 0.61 -1.12 0.00 0.61 -2.94 0.00 0.00 177.10 174.26 2a3h n GLY 142 N -0.38 2.42 0.28 0.45 0.00 -1.26 -4.53 105.19 102.17 2a3h n GLY 142 Ca -0.08 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.25 2a3h n GLY 142 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a3h h SER 143 N 0.00 0.20 -0.16 1.61 0.02 -2.01 -2.55 113.55 110.66 2a3h h SER 143 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2a3h h SER 143 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2a3h h SER 143 CO 0.00 0.18 0.00 -0.90 -1.14 0.00 0.00 176.83 174.97 2a3h n ASP 144 N -4.48 1.22 -4.05 3.07 5.75 -1.26 -4.69 116.55 112.11 2a3h n ASP 144 Ca -0.00 -1.75 -0.32 0.00 -0.01 0.00 0.00 54.79 52.70 2a3h n ASP 144 Cb 0.10 -0.11 -0.14 0.00 -1.03 0.00 0.00 41.12 39.94 2a3h n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2a3h s VAL 145 N -1.79 2.52 0.34 2.12 1.01 -0.96 -4.93 120.40 118.72 2a3h s VAL 145 Ca 0.26 -2.22 0.08 0.00 0.00 0.00 0.00 61.98 60.10 2a3h s VAL 145 Cb 0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2a3h s VAL 145 CO 0.20 -0.58 0.14 0.42 0.00 0.00 0.00 175.10 175.28 2a3h s THR 146 N 0.97 2.95 0.07 3.92 -4.23 -1.26 -4.70 115.64 113.37 2a3h s THR 146 Ca 0.09 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.58 2a3h s THR 146 Cb -0.20 -2.97 -0.18 0.00 1.34 0.00 0.00 72.50 70.49 2a3h s THR 146 CO -0.07 -0.17 1.60 -0.25 -0.54 0.00 0.00 174.62 175.19 2a3h h TRP 147 N 1.55 -0.69 -0.66 3.99 2.91 -1.96 0.23 115.95 121.32 2a3h h TRP 147 Ca -0.44 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.55 2a3h h TRP 147 Cb 1.25 0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 30.10 2a3h h TRP 147 CO 0.63 -0.42 0.32 0.78 -1.03 0.00 0.00 178.44 178.73 2a3h h GLY 148 N -0.78 1.02 0.84 2.65 0.00 -1.95 0.34 103.07 105.18 2a3h h GLY 148 Ca -0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 47.33 46.44 2a3h h GLY 148 CO 0.13 0.47 -1.82 0.70 0.00 0.00 0.00 176.54 176.02 2a3h n ASN 149 N -4.48 1.07 -0.03 0.19 3.02 -1.22 -4.61 115.26 109.21 2a3h n ASN 149 Ca 0.05 0.34 -0.05 0.00 -0.03 0.00 0.00 54.58 54.89 2a3h n ASN 149 Cb 0.12 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2a3h n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a3h n GLN 150 N -3.11 0.12 -0.02 3.52 3.00 -0.05 -4.76 117.38 116.08 2a3h n GLN 150 Ca -0.21 0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.66 2a3h n GLN 150 Cb 1.06 -0.81 -0.12 0.00 0.00 0.00 0.00 30.24 30.37 2a3h n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2a3h h ILE 151 N -0.14 1.60 -0.25 5.09 2.04 -1.06 -2.50 117.51 122.30 2a3h h ILE 151 Ca -0.13 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.57 2a3h h ILE 151 Cb 1.13 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 2a3h h ILE 151 CO -0.06 0.59 0.15 0.50 0.00 0.00 0.00 178.15 179.33 2a3h h LYS 152 N -0.59 0.33 -0.63 2.37 3.64 -0.57 -0.77 116.57 120.35 2a3h h LYS 152 Ca -0.05 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2a3h h LYS 152 Cb 1.14 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2a3h h LYS 152 CO 0.06 0.26 0.22 -1.35 -2.27 0.00 0.00 179.45 176.36 2a3h h PRO 153 N 0.31 0.94 -0.37 1.90 0.11 -1.77 -0.03 132.00 133.09 2a3h h PRO 153 Ca 0.09 -0.17 0.01 0.00 0.11 0.00 0.00 66.00 66.03 2a3h h PRO 153 Cb 0.01 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 2a3h h PRO 153 CO -0.02 0.80 0.24 -0.92 -0.21 0.00 0.00 178.00 177.89 2a3h h TYR 154 N 0.92 0.46 -0.22 0.65 3.20 -1.05 -2.16 116.97 118.77 2a3h h TYR 154 Ca 0.21 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 2a3h h TYR 154 Cb 0.23 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2a3h h TYR 154 CO 0.02 0.28 -0.04 0.00 -1.64 0.00 0.00 178.16 176.78 2a3h h ALA 155 N 1.14 1.54 0.00 1.82 0.00 -0.39 -0.75 119.26 122.62 2a3h h ALA 155 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2a3h h ALA 155 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2a3h h ALA 155 CO -0.04 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.94 2a3h n GLU 156 N -4.32 0.20 -0.09 0.00 1.02 -0.09 -0.72 120.64 116.63 2a3h n GLU 156 Ca 0.00 0.07 -0.18 0.00 -0.02 0.00 0.00 57.16 57.03 2a3h n GLU 156 Cb 0.22 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.01 2a3h n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2a3h n GLU 157 N -1.38 0.68 0.11 3.49 1.02 -0.68 -4.57 120.64 119.31 2a3h n GLU 157 Ca 0.09 0.17 -0.18 0.00 -0.02 0.00 0.00 57.16 57.21 2a3h n GLU 157 Cb 0.23 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 2a3h n GLU 157 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2a3h h VAL 158 N 0.02 1.44 -0.47 2.62 2.07 -0.88 -3.35 116.25 117.70 2a3h h VAL 158 Ca -0.53 -2.93 0.02 0.00 0.82 0.00 0.00 66.70 64.08 2a3h h VAL 158 Cb 1.97 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 34.64 2a3h h VAL 158 CO -0.03 0.86 0.29 0.40 0.02 0.00 0.00 177.57 179.11 2a3h h ILE 159 N 0.11 1.07 -1.00 4.57 2.04 -1.18 -2.14 117.51 120.98 2a3h h ILE 159 Ca -0.16 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.61 2a3h h ILE 159 Cb 2.00 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.44 2a3h h ILE 159 CO 0.22 0.11 0.63 -0.65 0.00 0.00 0.00 178.15 178.46 2a3h h PRO 160 N 0.58 0.99 -0.19 2.37 0.11 -1.80 0.24 132.00 134.30 2a3h h PRO 160 Ca 0.18 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 2a3h h PRO 160 Cb -0.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 2a3h h PRO 160 CO -0.07 0.66 0.11 0.82 -0.21 0.00 0.00 178.00 179.31 2a3h h ILE 161 N 1.02 1.08 -0.41 4.15 1.08 -1.53 -1.27 117.51 121.64 2a3h h ILE 161 Ca 0.48 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.71 2a3h h ILE 161 Cb 0.43 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2a3h h ILE 161 CO -0.24 0.08 0.10 0.40 -0.69 0.00 0.00 178.15 177.80 2a3h h ILE 162 N 0.22 1.23 0.00 -0.67 2.04 -0.63 -2.93 117.51 116.76 2a3h h ILE 162 Ca 0.07 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2a3h h ILE 162 Cb 0.03 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2a3h h ILE 162 CO -0.01 0.27 -0.03 0.03 0.00 0.00 0.00 178.15 178.40 2a3h h ARG 163 N 0.51 0.00 0.00 2.37 2.47 -0.39 0.19 114.38 119.54 2a3h h ARG 163 Ca 0.13 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 2a3h h ARG 163 Cb 0.30 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2a3h h ARG 163 CO 0.00 0.03 -0.13 -0.97 0.56 0.00 0.00 179.97 179.46 2a3h h ASN 164 N 0.00 0.00 0.00 7.04 -1.24 -1.03 -3.29 115.58 117.05 2a3h h ASN 164 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2a3h h ASN 164 Cb 0.34 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 2a3h h ASN 164 CO 0.00 0.13 -1.58 0.59 -1.29 0.00 0.00 177.43 175.28 2a3h n ASN 165 N -3.38 2.57 -3.38 1.15 3.02 -0.54 -4.92 115.26 109.77 2a3h n ASN 165 Ca -0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.37 2a3h n ASN 165 Cb 0.32 1.11 -0.09 0.00 -0.61 0.00 0.00 39.78 40.52 2a3h n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2a3h s ASP 166 N -3.72 1.43 0.57 6.41 -1.08 0.57 -4.73 116.67 116.11 2a3h s ASP 166 Ca -0.04 -1.16 0.35 0.00 -0.52 0.00 0.00 52.55 51.17 2a3h s ASP 166 Cb 0.05 0.53 1.59 0.00 -1.46 0.00 0.00 42.92 43.63 2a3h s ASP 166 CO 0.42 -0.33 2.07 1.55 0.52 0.00 0.00 175.17 179.41 2a3h h PRO 167 N 7.67 0.00 0.00 4.34 0.13 -1.79 -3.33 132.00 139.02 2a3h h PRO 167 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2a3h h PRO 167 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2a3h h PRO 167 CO 0.27 0.03 -0.03 0.27 -0.23 0.00 0.00 178.00 178.31 2a3h n ASN 168 N -3.17 0.00 -4.74 1.44 2.04 -1.26 -4.98 115.26 104.59 2a3h n ASN 168 Ca -0.01 -1.06 -0.33 0.00 -0.44 0.00 0.00 54.58 52.74 2a3h n ASN 168 Cb 0.25 -0.01 0.07 0.00 -2.53 0.00 0.00 39.78 37.57 2a3h n ASN 168 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 2a3h s ASN 169 N -0.06 4.59 0.40 0.53 0.01 -1.26 -4.87 114.94 114.28 2a3h s ASN 169 Ca 0.00 2.17 -0.27 0.00 -0.71 0.00 0.00 52.86 54.06 2a3h s ASN 169 Cb 0.00 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 2a3h s ASN 169 CO 0.00 -1.99 1.36 -0.63 -1.51 0.00 0.00 177.10 174.33 2a3h s ILE 170 N -2.19 2.42 -0.14 0.60 -1.09 -1.26 -4.91 121.20 114.63 2a3h s ILE 170 Ca 0.70 0.39 0.02 0.00 -2.23 0.00 0.00 60.65 59.53 2a3h s ILE 170 Cb -0.25 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 2a3h s ILE 170 CO 0.44 0.07 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.39 2a3h s ILE 171 N -1.21 1.92 -0.23 2.92 1.01 -0.73 -1.56 121.20 123.33 2a3h s ILE 171 Ca 0.56 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 2a3h s ILE 171 Cb -0.41 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2a3h s ILE 171 CO 0.53 0.52 0.16 -0.63 0.00 0.00 0.00 174.94 175.52 2a3h s ILE 172 N 0.98 5.37 -0.17 2.92 1.01 0.71 -1.45 121.20 130.58 2a3h s ILE 172 Ca -0.04 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2a3h s ILE 172 Cb -0.15 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2a3h s ILE 172 CO -0.04 0.37 -0.04 -0.69 0.00 0.00 0.00 174.94 174.53 2a3h s VAL 173 N 0.87 3.73 0.80 2.92 1.01 0.18 -2.45 120.40 127.46 2a3h s VAL 173 Ca 0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2a3h s VAL 173 Cb -0.13 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.69 2a3h s VAL 173 CO 0.03 0.48 1.13 -0.83 0.00 0.00 0.00 175.10 175.90 2a3h s GLY 174 N 0.61 1.82 0.43 4.51 0.00 -1.21 -0.68 107.32 112.81 2a3h s GLY 174 Ca -0.03 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.23 2a3h s GLY 174 CO 0.03 0.87 0.01 -0.51 0.00 0.00 0.00 173.10 173.50 2a3h s THR 175 N -2.63 1.65 1.00 0.90 -4.23 -1.26 -4.77 115.64 106.29 2a3h s THR 175 Ca 0.65 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.05 2a3h s THR 175 Cb -0.21 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.11 2a3h s THR 175 CO 0.54 0.00 1.08 -0.83 -0.54 0.00 0.00 174.62 174.86 2a3h s GLY 176 N -3.74 1.59 -1.19 3.99 0.00 -1.26 -1.25 107.32 105.46 2a3h s GLY 176 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.82 2a3h s GLY 176 CO 0.13 0.52 0.78 2.41 0.00 0.00 0.00 173.10 176.93 2a3h n THR 177 N -4.32 -6.03 -3.51 0.90 -1.04 -1.23 -0.83 114.28 98.21 2a3h n THR 177 Ca 0.06 -0.88 -0.19 0.00 -2.04 0.00 0.00 64.05 61.00 2a3h n THR 177 Cb 0.55 -4.58 0.08 0.00 -1.82 0.00 0.00 70.33 64.56 2a3h n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2a3h n TRP 178 N -4.01 -2.31 -3.76 -1.42 8.01 -0.08 -2.86 117.44 111.01 2a3h n TRP 178 Ca -0.17 0.94 -0.24 0.00 -1.31 0.00 0.00 57.50 56.72 2a3h n TRP 178 Cb 0.63 -4.96 0.04 0.00 -2.01 0.00 0.00 31.31 25.00 2a3h n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2a3h n SER 179 N -3.09 -2.75 -0.01 -0.99 7.64 -0.38 -4.57 113.62 109.47 2a3h n SER 179 Ca -0.22 -0.78 0.01 0.00 1.01 0.00 0.00 58.87 58.89 2a3h n SER 179 Cb 0.64 -4.10 -0.03 0.00 -1.01 0.00 0.00 64.21 59.72 2a3h n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3h n GLN 180 N -4.46 0.86 -1.94 1.43 6.02 -0.34 -0.75 117.38 118.20 2a3h n GLN 180 Ca -0.16 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.38 2a3h n GLN 180 Cb 0.62 -1.09 -0.00 0.00 1.02 0.00 0.00 30.24 30.78 2a3h n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2a3h n ASP 181 N -1.75 5.72 0.21 1.08 2.03 -0.01 -4.61 116.55 119.22 2a3h n ASP 181 Ca -0.02 -2.95 0.14 0.00 0.52 0.00 0.00 54.79 52.48 2a3h n ASP 181 Cb 0.22 -1.53 0.45 0.00 -0.72 0.00 0.00 41.12 39.53 2a3h n ASP 181 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2a3h h VAL 182 N 3.53 0.00 0.09 5.18 -1.51 -1.87 -3.23 116.25 118.43 2a3h h VAL 182 Ca 0.57 -0.61 -0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2a3h h VAL 182 Cb 0.53 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2a3h h VAL 182 CO 1.71 0.00 -0.04 -0.74 -1.23 0.00 0.00 177.57 177.27 2a3h h HIS 183 N 0.00 -0.11 -0.50 5.19 -0.00 -1.83 0.31 115.15 118.21 2a3h h HIS 183 Ca 0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 2a3h h HIS 183 Cb 0.68 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.11 2a3h h HIS 183 CO 0.00 0.04 -0.01 0.45 -0.00 0.00 0.00 177.93 178.41 2a3h h HIS 184 N -0.25 0.91 -0.64 5.26 3.86 -1.96 -2.55 115.15 119.78 2a3h h HIS 184 Ca -0.01 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 58.97 2a3h h HIS 184 Cb 0.21 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 2a3h h HIS 184 CO -0.03 0.84 0.05 0.00 0.86 0.00 0.00 177.93 179.64 2a3h h ALA 185 N 1.20 0.88 0.00 2.45 0.00 -1.54 -2.83 119.26 119.42 2a3h h ALA 185 Ca 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2a3h h ALA 185 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2a3h h ALA 185 CO 0.02 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.70 2a3h h ALA 186 N 1.03 1.18 -0.00 0.00 0.00 -0.71 -0.70 119.26 120.06 2a3h h ALA 186 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2a3h h ALA 186 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2a3h h ALA 186 CO 0.02 0.31 -0.10 -0.25 0.00 0.00 0.00 179.25 179.24 2a3h n ASP 187 N -3.65 0.34 -2.99 0.00 8.00 -0.98 -4.36 116.55 112.91 2a3h n ASP 187 Ca -0.01 -0.41 -0.14 0.00 0.71 0.00 0.00 54.79 54.93 2a3h n ASP 187 Cb 0.37 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 2a3h n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2a3h n ASN 188 N -1.08 -0.61 -4.75 -2.24 5.15 -0.31 -5.09 115.26 106.33 2a3h n ASN 188 Ca 0.14 -3.29 -0.34 0.00 -0.60 0.00 0.00 54.58 50.49 2a3h n ASN 188 Cb 0.27 0.49 0.06 0.00 -0.53 0.00 0.00 39.78 40.08 2a3h n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2a3h s GLN 189 N -1.18 2.60 0.64 1.20 -0.21 -0.98 -4.86 119.66 116.86 2a3h s GLN 189 Ca 0.32 1.53 -0.14 0.00 0.02 0.00 0.00 55.36 57.10 2a3h s GLN 189 Cb 0.31 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.40 2a3h s GLN 189 CO -0.08 -1.43 1.06 -0.51 -2.12 0.00 0.00 175.29 172.21 2a3h s LEU 190 N -4.91 3.36 0.15 2.90 1.43 -1.26 -5.00 118.68 115.35 2a3h s LEU 190 Ca 0.70 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 2a3h s LEU 190 Cb -0.24 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 2a3h s LEU 190 CO 0.42 -1.32 1.35 0.00 0.23 0.00 0.00 176.35 177.03 2a3h h ALA 191 N -0.02 0.47 -2.15 4.21 0.00 -2.02 -3.46 119.26 116.30 2a3h h ALA 191 Ca -0.46 -0.75 -0.60 0.00 0.00 0.00 0.00 54.91 53.10 2a3h h ALA 191 Cb 1.22 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.99 2a3h h ALA 191 CO 0.57 0.94 0.80 -3.47 0.00 0.00 0.00 179.25 178.08 2a3h n ASP 192 N -3.63 2.95 0.19 0.00 -0.08 -1.26 -4.87 116.55 109.84 2a3h n ASP 192 Ca -0.04 1.07 0.14 0.00 -1.51 0.00 0.00 54.79 54.45 2a3h n ASP 192 Cb 0.83 -1.38 0.54 0.00 2.34 0.00 0.00 41.12 43.45 2a3h n ASP 192 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2a3h h PRO 193 N 6.26 0.00 -1.16 -0.67 0.13 -1.98 -3.23 132.00 131.34 2a3h h PRO 193 Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 2a3h h PRO 193 Cb 1.27 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.02 2a3h h PRO 193 CO 0.88 0.00 -0.18 0.09 -0.23 0.00 0.00 178.00 178.56 2a3h n ASN 194 N -2.63 5.81 -4.65 1.44 3.02 -1.26 -4.44 115.26 112.54 2a3h n ASN 194 Ca 0.02 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.50 2a3h n ASN 194 Cb 0.30 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 2a3h n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a3h s VAL 195 N -4.95 3.86 0.08 2.41 1.01 -1.22 -1.77 120.40 119.82 2a3h s VAL 195 Ca 0.53 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2a3h s VAL 195 Cb 0.43 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2a3h s VAL 195 CO -0.09 0.17 -0.15 -0.04 0.00 0.00 0.00 175.10 174.99 2a3h s MET 196 N -2.11 0.89 -0.12 2.72 -1.94 -0.52 -4.55 119.30 113.66 2a3h s MET 196 Ca 0.23 -1.03 -0.06 0.00 -1.71 0.00 0.00 55.69 53.13 2a3h s MET 196 Cb -0.11 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 2a3h s MET 196 CO 0.15 0.20 0.09 0.71 -0.01 0.00 0.00 175.02 176.16 2a3h s TYR 197 N -1.41 3.41 0.26 -0.03 2.02 -0.06 -0.65 117.35 120.88 2a3h s TYR 197 Ca 0.01 0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.77 2a3h s TYR 197 Cb -0.09 -1.92 -0.09 0.00 -0.40 0.00 0.00 41.96 39.46 2a3h s TYR 197 CO 0.03 0.56 0.98 0.00 -1.57 0.00 0.00 175.55 175.54 2a3h s ALA 198 N -0.73 3.35 -0.08 3.71 0.00 0.15 -1.61 121.76 126.55 2a3h s ALA 198 Ca 0.13 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2a3h s ALA 198 Cb -0.12 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2a3h s ALA 198 CO 0.03 0.12 -0.06 0.12 0.00 0.00 0.00 175.76 175.97 2a3h s PHE 199 N -1.20 1.10 0.02 0.00 5.36 -1.00 -4.20 117.98 118.05 2a3h s PHE 199 Ca 0.42 -0.44 0.08 0.00 -0.96 0.00 0.00 56.93 56.03 2a3h s PHE 199 Cb -0.27 -0.97 -0.02 0.00 -0.34 0.00 0.00 43.02 41.42 2a3h s PHE 199 CO 0.34 -0.36 -0.24 -1.01 -1.46 0.00 0.00 175.22 172.49 2a3h s HIS 200 N 1.45 2.14 0.13 10.12 3.76 0.07 -3.72 115.29 129.24 2a3h s HIS 200 Ca -0.01 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.45 2a3h s HIS 200 Cb -0.13 -1.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.21 2a3h s HIS 200 CO -0.04 0.04 0.13 -0.59 -0.85 0.00 0.00 174.74 173.44 2a3h s PHE 201 N -0.69 0.64 -0.05 1.40 -0.12 -1.21 -4.69 117.98 113.25 2a3h s PHE 201 Ca 0.10 -1.03 0.01 0.00 -0.05 0.00 0.00 56.93 55.96 2a3h s PHE 201 Cb -0.09 -0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.01 2a3h s PHE 201 CO 0.01 -0.57 -0.05 0.71 -0.05 0.00 0.00 175.22 175.27 2a3h s TYR 202 N -4.00 0.86 -0.51 3.49 2.02 -1.26 -1.93 117.35 116.02 2a3h s TYR 202 Ca 0.19 -0.27 0.19 0.00 -0.37 0.00 0.00 57.07 56.81 2a3h s TYR 202 Cb 0.06 -0.77 0.90 0.00 -0.40 0.00 0.00 41.96 41.75 2a3h s TYR 202 CO -0.01 -0.24 1.59 0.00 -1.57 0.00 0.00 175.55 175.33 2a3h n ALA 203 N 4.24 1.40 0.30 3.71 0.00 -0.14 -1.39 120.51 128.62 2a3h n ALA 203 Ca -0.21 0.10 0.19 0.00 0.00 0.00 0.00 53.44 53.51 2a3h n ALA 203 Cb 0.51 -1.31 0.92 0.00 0.00 0.00 0.00 19.45 19.57 2a3h n ALA 203 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a3h h GLY 204 N 1.35 0.00 -5.64 0.00 0.00 -1.34 -3.43 103.07 94.01 2a3h h GLY 204 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2a3h h GLY 204 CO 0.00 0.00 -0.23 -1.59 0.00 0.00 0.00 176.54 174.72 2a3h s THR 205 N -3.98 5.23 -0.03 4.70 2.01 -0.49 -4.91 115.64 118.16 2a3h s THR 205 Ca -0.02 0.77 -0.32 0.00 0.31 0.00 0.00 61.69 62.42 2a3h s THR 205 Cb 0.12 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 2a3h s THR 205 CO 0.50 0.38 1.95 1.41 -0.69 0.00 0.00 174.62 178.16 2a3h n HIS 206 N 3.47 2.41 -0.68 4.92 8.25 -1.26 -4.89 115.22 127.43 2a3h n HIS 206 Ca -0.10 -0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.23 2a3h n HIS 206 Cb 0.52 -2.74 0.30 0.00 1.12 0.00 0.00 29.99 29.18 2a3h n HIS 206 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a3h n GLY 207 N 4.56 3.16 0.34 -1.41 0.00 -1.26 -4.70 105.19 105.88 2a3h n GLY 207 Ca 0.22 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 2a3h n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2a3h h GLN 208 N 3.04 1.19 -0.04 1.61 4.15 -2.00 -1.24 115.11 121.82 2a3h h GLN 208 Ca 0.00 -0.22 -0.19 0.00 0.77 0.00 0.00 58.65 59.02 2a3h h GLN 208 Cb 1.39 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 2a3h h GLN 208 CO 0.22 0.96 -0.79 -0.97 -1.93 0.00 0.00 178.83 176.32 2a3h h ASN 209 N 1.16 0.38 -0.81 -0.69 -0.00 -2.00 -2.53 115.58 111.09 2a3h h ASN 209 Ca 0.27 -0.27 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 2a3h h ASN 209 Cb 0.21 -0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 38.38 2a3h h ASN 209 CO -0.02 1.03 0.40 -0.07 -0.00 0.00 0.00 177.43 178.76 2a3h h LEU 210 N 0.20 1.06 -0.72 0.34 3.38 -1.77 0.13 115.31 117.93 2a3h h LEU 210 Ca -0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2a3h h LEU 210 Cb 1.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2a3h h LEU 210 CO 0.13 0.89 0.20 0.03 0.09 0.00 0.00 178.44 179.78 2a3h h ARG 211 N 1.16 1.14 -0.27 1.13 3.08 -1.14 -1.36 114.38 118.13 2a3h h ARG 211 Ca 0.28 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2a3h h ARG 211 Cb 0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2a3h h ARG 211 CO -0.04 0.99 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.32 2a3h h ASP 212 N 1.08 0.42 -0.18 7.04 3.32 -0.84 -1.40 116.42 125.87 2a3h h ASP 212 Ca 0.23 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 2a3h h ASP 212 Cb 0.34 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2a3h h ASP 212 CO -0.00 0.55 -0.52 1.56 -1.72 0.00 0.00 179.24 179.11 2a3h h GLN 213 N 0.42 0.77 -0.50 3.56 1.08 -0.34 -0.85 115.11 119.24 2a3h h GLN 213 Ca 0.08 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2a3h h GLN 213 Cb 0.42 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 2a3h h GLN 213 CO 0.02 1.09 0.32 0.28 -0.95 0.00 0.00 178.83 179.60 2a3h h VAL 214 N 0.60 1.14 -0.53 -0.54 2.07 -0.87 -2.00 116.25 116.12 2a3h h VAL 214 Ca 0.02 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2a3h h VAL 214 Cb 1.10 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2a3h h VAL 214 CO 0.11 0.13 0.28 0.44 0.02 0.00 0.00 177.57 178.56 2a3h h ASP 215 N 0.68 0.42 -0.35 0.57 3.32 -1.07 -0.81 116.42 119.18 2a3h h ASP 215 Ca 0.18 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.33 2a3h h ASP 215 Cb -0.06 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 2a3h h ASP 215 CO -0.04 0.29 -0.11 0.22 -1.72 0.00 0.00 179.24 177.88 2a3h h TYR 216 N 0.55 -0.26 -0.51 4.55 3.20 -0.86 -0.73 116.97 122.92 2a3h h TYR 216 Ca 0.23 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2a3h h TYR 216 Cb 0.11 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2a3h h TYR 216 CO -0.09 -0.18 0.27 0.00 -1.64 0.00 0.00 178.16 176.52 2a3h h ALA 217 N 1.29 0.65 -0.92 1.82 0.00 -0.84 -2.30 119.26 118.96 2a3h h ALA 217 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2a3h h ALA 217 Cb 0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2a3h h ALA 217 CO -0.38 0.18 0.60 -0.07 0.00 0.00 0.00 179.25 179.58 2a3h h LEU 218 N 0.67 0.97 -1.43 0.00 3.38 -0.91 -1.10 115.31 116.89 2a3h h LEU 218 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2a3h h LEU 218 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2a3h h LEU 218 CO -0.03 0.66 0.00 0.44 0.09 0.00 0.00 178.44 179.60 2a3h h ASP 219 N 1.12 0.00 -0.27 -0.43 3.32 -0.59 -0.00 116.42 119.56 2a3h h ASP 219 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2a3h h ASP 219 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2a3h h ASP 219 CO -0.12 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 2a3h n GLN 220 N -2.66 1.90 -0.92 3.56 1.13 -0.45 -4.92 117.38 115.03 2a3h n GLN 220 Ca 0.00 -1.37 0.00 0.00 -1.94 0.00 0.00 57.00 53.69 2a3h n GLN 220 Cb 0.20 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.16 2a3h n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3h n GLY 221 N 1.19 0.61 3.75 1.08 0.00 -0.02 -5.02 105.19 106.79 2a3h n GLY 221 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2a3h n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3h s ALA 222 N -2.31 3.35 0.11 4.61 0.00 -1.03 -3.97 121.76 122.51 2a3h s ALA 222 Ca 0.00 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 2a3h s ALA 222 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 2a3h s ALA 222 CO 0.00 0.22 0.56 0.00 0.00 0.00 0.00 175.76 176.54 2a3h s ALA 223 N -1.19 3.58 -0.05 0.00 0.00 -1.25 -4.20 121.76 118.65 2a3h s ALA 223 Ca 0.41 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.37 2a3h s ALA 223 Cb -0.26 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.27 2a3h s ALA 223 CO 0.31 0.42 -0.18 0.42 0.00 0.00 0.00 175.76 176.73 2a3h s ILE 224 N -1.27 1.56 -0.17 0.00 -1.09 -1.26 -0.88 121.20 118.09 2a3h s ILE 224 Ca 0.33 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 2a3h s ILE 224 Cb -0.17 -1.34 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 2a3h s ILE 224 CO 0.19 0.45 -0.15 0.12 -1.23 0.00 0.00 174.94 174.31 2a3h s PHE 225 N 0.12 2.79 -1.29 3.97 2.19 -0.63 -4.54 117.98 120.59 2a3h s PHE 225 Ca -0.07 -1.15 -0.14 0.00 0.33 0.00 0.00 56.93 55.90 2a3h s PHE 225 Cb -0.13 -1.91 0.12 0.00 -1.31 0.00 0.00 43.02 39.78 2a3h s PHE 225 CO 0.03 -0.55 1.73 0.28 1.83 0.00 0.00 175.22 178.54 2a3h n VAL 226 N 4.24 4.05 0.86 3.12 0.31 -0.50 -2.39 118.33 128.03 2a3h n VAL 226 Ca -0.19 -4.22 0.10 0.00 -0.01 0.00 0.00 64.34 60.02 2a3h n VAL 226 Cb 0.51 -2.43 0.47 0.00 -0.91 0.00 0.00 33.84 31.49 2a3h n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2a3h n SER 227 N 6.34 0.00 -3.63 4.52 3.41 -1.24 -1.76 113.62 121.26 2a3h n SER 227 Ca 0.44 0.13 -0.04 0.00 -0.26 0.00 0.00 58.87 59.14 2a3h n SER 227 Cb 0.42 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2a3h n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2a3h s GLU 228 N -2.68 0.61 0.05 4.33 2.12 -1.23 -4.28 118.70 117.63 2a3h s GLU 228 Ca 0.16 1.28 -0.11 0.00 0.36 0.00 0.00 54.97 56.67 2a3h s GLU 228 Cb 0.13 0.49 0.01 0.00 0.26 0.00 0.00 34.13 35.02 2a3h s GLU 228 CO 0.31 -0.17 0.24 1.67 -0.54 0.00 0.00 175.26 176.77 2a3h s TRP 229 N 2.24 0.01 0.15 5.30 1.48 -1.04 -3.33 118.94 123.74 2a3h s TRP 229 Ca -0.08 -0.25 0.02 0.00 -1.06 0.00 0.00 56.10 54.73 2a3h s TRP 229 Cb -0.08 0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.20 2a3h s TRP 229 CO -0.19 -0.49 -0.03 0.20 -4.06 0.00 0.00 176.95 172.38 2a3h s GLY 230 N -2.27 1.08 0.00 3.67 0.00 -0.81 -0.78 107.32 108.21 2a3h s GLY 230 Ca -0.03 -1.51 0.28 0.00 0.00 0.00 0.00 44.72 43.46 2a3h s GLY 230 CO -0.06 -1.51 1.80 -1.30 0.00 0.00 0.00 173.10 172.04 2a3h n THR 231 N -0.18 0.00 -2.64 0.90 -2.24 -1.26 -0.97 114.28 107.89 2a3h n THR 231 Ca -0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2a3h n THR 231 Cb 0.62 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2a3h n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2a3h n SER 232 N -1.01 0.00 -4.55 3.42 3.41 -1.26 -0.42 113.62 113.20 2a3h n SER 232 Ca 0.13 -0.78 -0.29 0.00 -0.26 0.00 0.00 58.87 57.66 2a3h n SER 232 Cb 0.29 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.39 2a3h n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3h s ALA 233 N -2.14 1.98 -0.44 7.33 0.00 -0.47 -1.15 121.76 126.87 2a3h s ALA 233 Ca 0.00 -0.77 0.18 0.00 0.00 0.00 0.00 51.96 51.37 2a3h s ALA 233 Cb 0.00 -2.94 0.91 0.00 0.00 0.00 0.00 23.12 21.10 2a3h s ALA 233 CO 0.00 -2.31 1.56 0.00 0.00 0.00 0.00 175.76 175.00 2a3h n ALA 234 N -3.76 1.21 0.89 0.00 0.00 -1.26 -1.36 120.51 116.22 2a3h n ALA 234 Ca 0.10 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.80 2a3h n ALA 234 Cb 0.60 -1.28 0.48 0.00 0.00 0.00 0.00 19.45 19.25 2a3h n ALA 234 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2a3h n THR 235 N -2.09 0.16 -0.25 0.00 -2.24 -1.26 -4.89 114.28 103.71 2a3h n THR 235 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2a3h n THR 235 Cb 0.08 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 2a3h n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a3h n GLY 236 N 1.45 0.68 0.00 3.38 0.00 -0.46 -5.02 105.19 105.21 2a3h n GLY 236 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2a3h n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a3h n ASP 237 N 0.00 0.02 -0.56 1.61 2.03 -1.26 -1.99 116.55 116.41 2a3h n ASP 237 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2a3h n ASP 237 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2a3h n ASP 237 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a3h n GLY 238 N 0.35 0.18 0.00 0.27 0.00 -1.26 -1.37 105.19 103.35 2a3h n GLY 238 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2a3h n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3h n GLY 239 N -1.00 1.76 3.40 -0.02 0.00 -1.26 -4.61 105.19 103.45 2a3h n GLY 239 Ca -0.06 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 2a3h n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3h s VAL 240 N -2.54 3.18 -0.68 1.61 1.01 -1.26 -4.03 120.40 117.68 2a3h s VAL 240 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2a3h s VAL 240 Cb 0.00 -2.34 0.18 0.00 0.00 0.00 0.00 36.38 34.22 2a3h s VAL 240 CO 0.00 0.53 0.52 0.49 0.00 0.00 0.00 175.10 176.64 2a3h n PHE 241 N 3.43 3.05 0.20 5.22 3.01 0.43 -4.95 117.46 127.86 2a3h n PHE 241 Ca -0.18 -4.23 0.07 0.00 1.01 0.00 0.00 57.45 54.12 2a3h n PHE 241 Cb 0.53 -0.57 0.33 0.00 -0.01 0.00 0.00 39.48 39.76 2a3h n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2a3h h LEU 242 N 5.23 0.00 -0.07 4.37 3.38 -1.94 -1.65 115.31 124.64 2a3h h LEU 242 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2a3h h LEU 242 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2a3h h LEU 242 CO 0.71 0.31 -0.00 0.44 0.09 0.00 0.00 178.44 179.99 2a3h h ASP 243 N 0.00 0.12 -0.10 -0.43 3.32 -1.96 -1.38 116.42 115.99 2a3h h ASP 243 Ca -0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 2a3h h ASP 243 Cb 0.92 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2a3h h ASP 243 CO 0.04 0.42 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.72 2a3h h GLU 244 N -0.18 0.49 -0.82 3.56 4.57 -1.84 -2.45 114.58 117.90 2a3h h GLU 244 Ca 0.02 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2a3h h GLU 244 Cb 0.36 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 2a3h h GLU 244 CO 0.00 0.65 0.53 0.00 -1.18 0.00 0.00 179.01 179.01 2a3h h ALA 245 N 1.37 1.08 -0.28 2.92 0.00 -1.15 -1.43 119.26 121.76 2a3h h ALA 245 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2a3h h ALA 245 Cb 0.57 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2a3h h ALA 245 CO 0.04 0.35 -0.16 0.37 0.00 0.00 0.00 179.25 179.85 2a3h h GLN 246 N 1.03 0.50 -0.50 0.00 5.75 -0.90 0.14 115.11 121.12 2a3h h GLN 246 Ca 0.33 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 2a3h h GLN 246 Cb 0.00 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2a3h h GLN 246 CO -0.11 0.65 0.21 0.28 -2.65 0.00 0.00 178.83 177.21 2a3h h VAL 247 N 0.45 1.21 -0.58 2.39 2.07 -0.86 0.11 116.25 121.04 2a3h h VAL 247 Ca 0.08 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2a3h h VAL 247 Cb 0.55 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2a3h h VAL 247 CO 0.04 0.24 -0.01 -0.50 0.02 0.00 0.00 177.57 177.36 2a3h h TRP 248 N 0.67 1.14 -0.12 1.57 4.06 -0.69 -0.17 115.95 122.41 2a3h h TRP 248 Ca 0.17 -0.20 0.03 0.00 2.06 0.00 0.00 58.89 60.95 2a3h h TRP 248 Cb 0.18 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.01 2a3h h TRP 248 CO 0.00 1.01 -0.08 0.82 -3.56 0.00 0.00 178.44 176.64 2a3h h ILE 249 N 0.93 0.76 -0.84 1.49 1.08 -0.35 -0.19 117.51 120.39 2a3h h ILE 249 Ca 0.16 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.61 2a3h h ILE 249 Cb 0.57 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 2a3h h ILE 249 CO 0.03 0.00 0.41 0.44 -0.69 0.00 0.00 178.15 178.34 2a3h h ASP 250 N -0.08 1.08 -0.51 1.72 3.32 -0.79 -1.66 116.42 119.50 2a3h h ASP 250 Ca 0.07 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.01 2a3h h ASP 250 Cb 0.19 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2a3h h ASP 250 CO -0.17 0.90 0.33 0.15 -1.72 0.00 0.00 179.24 178.73 2a3h h PHE 251 N 1.19 0.62 -0.67 4.55 3.57 -0.48 -1.33 116.94 124.38 2a3h h PHE 251 Ca 0.29 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 2a3h h PHE 251 Cb 0.10 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2a3h h PHE 251 CO 0.01 0.38 0.12 0.52 -2.23 0.00 0.00 178.31 177.11 2a3h h MET 252 N 0.66 1.10 -0.60 1.11 2.86 -0.86 -1.32 114.93 117.89 2a3h h MET 252 Ca 0.19 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 2a3h h MET 252 Cb -0.05 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 2a3h h MET 252 CO -0.06 1.00 0.01 -0.44 1.06 0.00 0.00 176.91 178.49 2a3h h ASP 253 N 1.03 1.01 -0.19 1.22 3.32 -1.06 0.12 116.42 121.87 2a3h h ASP 253 Ca 0.21 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2a3h h ASP 253 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2a3h h ASP 253 CO 0.01 1.06 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.23 2a3h h GLU 254 N 0.95 0.49 -0.11 3.56 5.08 -0.87 -2.75 114.58 120.92 2a3h h GLU 254 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2a3h h GLU 254 Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2a3h h GLU 254 CO 0.03 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 179.11 2a3h n ARG 255 N -4.27 2.04 -3.56 2.33 3.00 -0.53 -4.97 116.66 110.71 2a3h n ARG 255 Ca 0.01 -1.54 -0.22 0.00 -0.01 0.00 0.00 57.85 56.10 2a3h n ARG 255 Cb 0.25 -1.46 0.08 0.00 0.00 0.00 0.00 32.46 31.33 2a3h n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2a3h n ASN 256 N 0.82 -4.63 -4.76 0.55 5.15 -0.20 -4.97 115.26 107.23 2a3h n ASN 256 Ca 0.17 -0.59 -0.37 0.00 -0.60 0.00 0.00 54.58 53.19 2a3h n ASN 256 Cb 0.48 -4.99 -0.06 0.00 -0.53 0.00 0.00 39.78 34.67 2a3h n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2a3h s LEU 257 N -6.96 4.31 0.49 1.20 1.43 0.24 -4.82 118.68 114.58 2a3h s LEU 257 Ca 0.37 0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 53.99 2a3h s LEU 257 Cb -0.16 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.48 2a3h s LEU 257 CO 0.74 0.14 0.97 -0.44 0.23 0.00 0.00 176.35 177.98 2a3h s SER 258 N 0.11 6.67 0.11 2.29 0.01 -1.26 -4.71 113.70 116.92 2a3h s SER 258 Ca 0.21 1.56 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 2a3h s SER 258 Cb -0.14 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.63 2a3h s SER 258 CO 0.08 -0.54 0.44 -1.66 0.41 0.00 0.00 173.24 171.98 2a3h s TRP 259 N -2.53 -0.28 -0.05 2.43 1.48 0.07 -1.41 118.94 118.64 2a3h s TRP 259 Ca 0.59 0.05 0.01 0.00 -1.06 0.00 0.00 56.10 55.69 2a3h s TRP 259 Cb -0.10 0.31 0.02 0.00 -1.16 0.00 0.00 33.47 32.54 2a3h s TRP 259 CO 0.28 -0.70 -0.06 0.00 -4.06 0.00 0.00 176.95 172.41 2a3h s ALA 260 N -3.52 0.82 0.20 2.67 0.00 -0.72 -1.83 121.76 119.37 2a3h s ALA 260 Ca 0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2a3h s ALA 260 Cb 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 2a3h s ALA 260 CO -0.10 -0.03 0.64 1.21 0.00 0.00 0.00 175.76 177.47 2a3h s ASN 261 N 0.96 6.90 -0.29 0.00 3.84 -0.27 -2.50 114.94 123.58 2a3h s ASN 261 Ca -0.10 1.22 -0.10 0.00 0.21 0.00 0.00 52.86 54.09 2a3h s ASN 261 Cb -0.14 -2.34 -0.03 0.00 -0.55 0.00 0.00 41.25 38.18 2a3h s ASN 261 CO 0.00 0.04 0.16 0.86 -2.79 0.00 0.00 177.10 175.37 2a3h s TRP 262 N -1.56 3.18 0.24 0.43 -0.11 0.04 -0.02 118.94 121.14 2a3h s TRP 262 Ca 0.42 -0.19 -0.20 0.00 1.22 0.00 0.00 56.10 57.35 2a3h s TRP 262 Cb -0.15 -2.36 0.03 0.00 -1.50 0.00 0.00 33.47 29.49 2a3h s TRP 262 CO 0.20 -0.30 0.63 -1.54 -4.62 0.00 0.00 176.95 171.32 2a3h s SER 263 N 1.69 -0.30 -0.88 5.86 1.04 -1.10 -4.55 113.70 115.46 2a3h s SER 263 Ca 0.06 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 55.80 2a3h s SER 263 Cb -0.16 0.66 0.13 0.00 0.10 0.00 0.00 66.02 66.75 2a3h s SER 263 CO 0.08 -1.20 1.06 -0.22 0.98 0.00 0.00 173.24 173.94 2a3h s LEU 264 N -2.89 5.20 0.25 2.42 2.96 0.27 -1.04 118.68 125.86 2a3h s LEU 264 Ca 0.10 -2.00 -0.22 0.00 -0.22 0.00 0.00 54.13 51.80 2a3h s LEU 264 Cb -0.03 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.31 2a3h s LEU 264 CO 0.01 -1.04 0.71 0.28 -1.32 0.00 0.00 176.35 174.99 2a3h s THR 265 N 2.53 0.00 -1.40 3.68 -1.32 -1.26 -4.06 115.64 113.81 2a3h s THR 265 Ca 0.29 -0.82 0.15 0.00 -1.21 0.00 0.00 61.69 60.10 2a3h s THR 265 Cb -0.07 -1.83 0.40 0.00 -1.51 0.00 0.00 72.50 69.48 2a3h s THR 265 CO -0.07 0.00 1.32 0.00 -2.21 0.00 0.00 174.62 173.66 2a3h n HIS 266 N -0.45 0.58 -1.51 9.09 1.44 -1.26 -1.73 115.22 121.39 2a3h n HIS 266 Ca -0.06 -0.44 -0.40 0.00 -2.01 0.00 0.00 57.72 54.81 2a3h n HIS 266 Cb 0.60 -0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.72 2a3h n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2a3h n LYS 267 N 0.94 0.77 -2.22 -1.40 4.81 -1.26 -3.98 118.16 115.81 2a3h n LYS 267 Ca 0.16 0.28 -0.43 0.00 -0.87 0.00 0.00 58.31 57.45 2a3h n LYS 267 Cb 0.49 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2a3h n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2a3h n ASP 268 N 0.69 4.51 -3.81 3.14 2.03 -1.26 -4.69 116.55 117.17 2a3h n ASP 268 Ca 0.11 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 52.39 2a3h n ASP 268 Cb 0.42 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.05 2a3h n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2a3h s GLU 269 N 3.20 0.47 0.33 -0.67 -1.05 -1.26 -5.07 118.70 114.65 2a3h s GLU 269 Ca 0.49 -0.07 0.07 0.00 -0.15 0.00 0.00 54.97 55.31 2a3h s GLU 269 Cb 0.08 0.21 0.74 0.00 -0.44 0.00 0.00 34.13 34.72 2a3h s GLU 269 CO -0.01 -0.11 1.85 0.77 0.95 0.00 0.00 175.26 178.72 2a3h h SER 270 N 4.70 0.74 1.19 0.83 0.02 -1.86 -1.94 113.55 117.24 2a3h h SER 270 Ca -0.29 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2a3h h SER 270 Cb 1.19 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2a3h h SER 270 CO 0.38 0.37 0.00 0.77 -1.14 0.00 0.00 176.83 177.21 2a3h h SER 271 N 0.78 0.00 -3.48 3.07 4.64 -1.71 -3.40 113.55 113.45 2a3h h SER 271 Ca 0.47 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.26 2a3h h SER 271 Cb 0.67 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.84 2a3h h SER 271 CO -0.23 0.00 0.79 0.00 -0.87 0.00 0.00 176.83 176.52 2a3h s ALA 272 N -3.47 3.65 -0.19 5.18 0.00 -0.73 -2.71 121.76 123.49 2a3h s ALA 272 Ca 0.04 1.43 0.17 0.00 0.00 0.00 0.00 51.96 53.60 2a3h s ALA 272 Cb 0.08 -3.59 0.20 0.00 0.00 0.00 0.00 23.12 19.82 2a3h s ALA 272 CO 0.54 -0.85 1.51 0.00 0.00 0.00 0.00 175.76 176.97 2a3h h ALA 273 N 4.56 0.77 -3.21 0.00 0.00 -1.12 -3.38 119.26 116.88 2a3h h ALA 273 Ca -0.47 -0.34 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 2a3h h ALA 273 Cb 1.22 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 2a3h h ALA 273 CO 0.75 0.46 -0.77 -0.51 0.00 0.00 0.00 179.25 179.19 2a3h s LEU 274 N -6.44 2.77 0.54 0.00 1.43 -0.70 -1.93 118.68 114.34 2a3h s LEU 274 Ca 0.04 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.42 2a3h s LEU 274 Cb 0.07 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 2a3h s LEU 274 CO 0.72 0.12 0.87 -0.04 0.23 0.00 0.00 176.35 178.25 2a3h s MET 275 N -2.63 3.43 0.48 1.70 -1.94 -0.23 -4.17 119.30 115.93 2a3h s MET 275 Ca 0.22 0.29 0.30 0.00 -1.71 0.00 0.00 55.69 54.80 2a3h s MET 275 Cb -0.09 -2.28 1.39 0.00 2.01 0.00 0.00 34.83 35.86 2a3h s MET 275 CO 0.13 -0.39 1.76 -1.35 -0.01 0.00 0.00 175.02 175.15 2a3h h PRO 276 N 0.01 0.14 -0.64 2.03 0.11 -1.89 -1.56 132.00 130.20 2a3h h PRO 276 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a3h h PRO 276 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2a3h h PRO 276 CO 0.62 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 2a3h n GLY 277 N -1.64 2.29 3.74 -0.55 0.00 -1.26 -4.97 105.19 102.79 2a3h n GLY 277 Ca 0.28 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2a3h n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3h s ALA 278 N -1.88 3.53 0.21 4.61 0.00 -0.59 -4.95 121.76 122.69 2a3h s ALA 278 Ca 0.42 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2a3h s ALA 278 Cb 0.28 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 2a3h s ALA 278 CO 0.19 -0.54 1.32 1.21 0.00 0.00 0.00 175.76 177.94 2a3h s ASN 279 N 0.29 6.87 0.14 0.00 3.84 -1.26 -4.89 114.94 119.93 2a3h s ASN 279 Ca 0.56 2.44 0.21 0.00 0.21 0.00 0.00 52.86 56.29 2a3h s ASN 279 Cb -0.37 -2.61 0.86 0.00 -0.55 0.00 0.00 41.25 38.57 2a3h s ASN 279 CO 0.39 -0.54 1.65 -0.81 -2.79 0.00 0.00 177.10 175.00 2a3h n PRO 280 N 2.48 0.12 -0.62 0.43 -0.04 -1.26 -1.75 135.00 134.35 2a3h n PRO 280 Ca 0.06 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 2a3h n PRO 280 Cb 0.42 -1.70 0.34 0.00 -0.04 0.00 0.00 33.50 32.52 2a3h n PRO 280 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2a3h n THR 281 N -1.92 2.02 -0.58 0.52 -2.24 -1.26 -4.46 114.28 106.35 2a3h n THR 281 Ca 0.03 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 2a3h n THR 281 Cb 0.24 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2a3h n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a3h n GLY 282 N 0.80 -2.15 2.10 3.38 0.00 -0.72 -3.20 105.19 105.40 2a3h n GLY 282 Ca 0.25 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 2a3h n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3h n GLY 283 N -0.03 0.55 3.68 -0.02 0.00 -1.26 -4.62 105.19 103.49 2a3h n GLY 283 Ca 0.00 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 2a3h n GLY 283 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a3h n TRP 284 N -2.90 2.14 -2.15 1.61 8.01 -1.26 -5.03 117.44 117.85 2a3h n TRP 284 Ca -0.02 0.52 -0.27 0.00 -1.31 0.00 0.00 57.50 56.41 2a3h n TRP 284 Cb 0.09 -2.42 0.13 0.00 -2.01 0.00 0.00 31.31 27.10 2a3h n TRP 284 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 2a3h s THR 285 N -0.67 2.09 0.24 -0.99 -4.23 -1.26 -4.94 115.64 105.89 2a3h s THR 285 Ca 0.61 -0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 2a3h s THR 285 Cb -0.61 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 70.59 2a3h s THR 285 CO 0.57 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 176.23 2a3h h GLU 286 N -1.10 1.22 0.00 3.99 3.07 -1.96 -1.85 114.58 117.96 2a3h h GLU 286 Ca -0.42 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.34 2a3h h GLU 286 Cb 1.27 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2a3h h GLU 286 CO 0.45 0.81 -0.08 0.00 -1.40 0.00 0.00 179.01 178.79 2a3h h ALA 287 N 1.37 1.32 -0.01 3.43 0.00 -2.01 -2.33 119.26 121.03 2a3h h ALA 287 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2a3h h ALA 287 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2a3h h ALA 287 CO -0.10 0.10 -0.08 0.39 0.00 0.00 0.00 179.25 179.56 2a3h n GLU 288 N -3.65 1.26 -4.01 0.00 1.02 -0.70 -4.78 120.64 109.78 2a3h n GLU 288 Ca -0.02 -0.65 -0.36 0.00 -0.02 0.00 0.00 57.16 56.11 2a3h n GLU 288 Cb 0.19 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 2a3h n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a3h s LEU 289 N -2.19 4.17 0.96 -4.62 1.43 -0.88 -1.07 118.68 116.48 2a3h s LEU 289 Ca 0.34 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 2a3h s LEU 289 Cb 0.20 -2.08 0.17 0.00 0.03 0.00 0.00 46.19 44.51 2a3h s LEU 289 CO 0.41 0.38 1.21 -0.94 0.23 0.00 0.00 176.35 177.63 2a3h s SER 290 N -1.14 3.15 0.25 2.29 1.04 -0.81 -4.70 113.70 113.78 2a3h s SER 290 Ca 0.16 0.64 -0.03 0.00 0.48 0.00 0.00 55.95 57.20 2a3h s SER 290 Cb -0.12 -0.96 0.45 0.00 0.10 0.00 0.00 66.02 65.50 2a3h s SER 290 CO 0.06 -2.74 1.78 -0.65 0.98 0.00 0.00 173.24 172.67 2a3h h PRO 291 N -1.64 0.65 -0.09 4.02 0.11 -1.89 -0.55 132.00 132.61 2a3h h PRO 291 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2a3h h PRO 291 Cb 1.29 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2a3h h PRO 291 CO 0.50 0.43 0.03 1.03 -0.21 0.00 0.00 178.00 179.78 2a3h h SER 292 N 0.67 0.13 -0.77 -2.05 0.87 -1.80 -2.62 113.55 107.98 2a3h h SER 292 Ca 0.42 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2a3h h SER 292 Cb 0.51 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 2a3h h SER 292 CO -0.31 0.28 0.51 1.23 -0.53 0.00 0.00 176.83 178.01 2a3h h GLY 293 N -0.03 1.08 1.00 5.77 0.00 -1.43 -0.68 103.07 108.77 2a3h h GLY 293 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.97 2a3h h GLY 293 CO -0.00 0.39 0.31 -0.84 0.00 0.00 0.00 176.54 176.40 2a3h h THR 294 N 1.03 1.12 -0.04 4.70 2.02 -1.12 -0.77 112.91 119.85 2a3h h THR 294 Ca 0.28 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 2a3h h THR 294 Cb -0.11 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2a3h h THR 294 CO -0.06 0.12 0.01 0.15 0.37 0.00 0.00 175.52 176.11 2a3h h PHE 295 N 0.63 0.06 -0.45 3.16 3.57 -1.08 -1.70 116.94 121.13 2a3h h PHE 295 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2a3h h PHE 295 Cb -0.07 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2a3h h PHE 295 CO -0.04 0.21 0.29 0.28 -2.23 0.00 0.00 178.31 176.81 2a3h h VAL 296 N -0.10 1.12 -0.36 1.41 2.07 -1.00 0.21 116.25 119.60 2a3h h VAL 296 Ca 0.01 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2a3h h VAL 296 Cb 0.17 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2a3h h VAL 296 CO -0.00 0.12 0.18 -0.09 0.02 0.00 0.00 177.57 177.80 2a3h h ARG 297 N 0.60 0.36 -0.59 1.57 2.43 -1.11 -0.81 114.38 116.83 2a3h h ARG 297 Ca 0.16 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2a3h h ARG 297 Cb -0.05 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 2a3h h ARG 297 CO -0.03 0.24 0.33 0.93 -1.51 0.00 0.00 179.97 179.92 2a3h h GLU 298 N 0.37 0.61 -0.55 0.20 5.08 -0.58 -0.65 114.58 119.05 2a3h h GLU 298 Ca 0.15 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2a3h h GLU 298 Cb 0.06 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2a3h h GLU 298 CO -0.11 0.40 0.33 0.87 -1.00 0.00 0.00 179.01 179.50 2a3h h LYS 299 N 0.63 0.62 -0.08 2.33 1.79 -0.10 -0.71 116.57 121.05 2a3h h LYS 299 Ca 0.26 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.52 2a3h h LYS 299 Cb 0.13 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2a3h h LYS 299 CO -0.15 0.41 -0.70 0.82 -1.08 0.00 0.00 179.45 178.74 2a3h h ILE 300 N 0.64 1.38 -0.53 1.86 2.04 -0.89 -2.39 117.51 119.62 2a3h h ILE 300 Ca 0.23 -2.12 -0.08 0.00 1.00 0.00 0.00 64.86 63.89 2a3h h ILE 300 Cb 0.05 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2a3h h ILE 300 CO -0.11 0.64 0.02 0.03 0.00 0.00 0.00 178.15 178.72 2a3h h ARG 301 N 0.25 0.89 -0.15 2.37 3.08 -0.93 -2.35 114.38 117.55 2a3h h ARG 301 Ca -0.02 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 2a3h h ARG 301 Cb 1.27 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2a3h h ARG 301 CO 0.12 0.88 -0.08 0.93 -1.07 0.00 0.00 179.97 180.75 2a3h h GLU 302 N 0.83 0.23 0.00 0.04 5.08 -0.99 -3.50 114.58 116.27 2a3h h GLU 302 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2a3h h GLU 302 Cb 0.47 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2a3h h GLU 302 CO 0.02 0.32 0.00 0.45 -1.00 0.00 0.00 179.01 178.80