#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jiq s PRO 5 N 0.00 4.20 0.00 5.56 0.02 -1.26 -4.61 135.00 138.90 2jiq s PRO 5 Ca 0.00 2.43 0.25 0.00 0.02 0.00 0.00 61.00 63.70 2jiq s PRO 5 Cb 0.00 -3.08 0.44 0.00 0.02 0.00 0.00 34.50 31.87 2jiq s PRO 5 CO 0.00 -0.55 1.36 -0.85 -0.33 0.00 0.00 177.00 176.63 2jiq n GLU 6 N 2.68 0.41 -3.64 5.54 0.28 -0.28 -4.94 120.64 120.68 2jiq n GLU 6 Ca 0.09 -0.27 -0.05 0.00 -0.16 0.00 0.00 57.16 56.77 2jiq n GLU 6 Cb 0.39 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.69 2jiq n GLU 6 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2jiq s LYS 7 N -2.78 0.54 -0.12 3.44 2.20 -1.16 -5.04 119.74 116.82 2jiq s LYS 7 Ca 0.16 0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 56.64 2jiq s LYS 7 Cb 0.18 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 2jiq s LYS 7 CO 0.65 -0.11 -0.05 -1.58 -0.36 0.00 0.00 175.35 173.90 2jiq s TRP 8 N 1.32 3.00 -0.20 4.03 0.52 -1.26 -0.84 118.94 125.51 2jiq s TRP 8 Ca -0.08 -0.17 0.00 0.00 0.02 0.00 0.00 56.10 55.87 2jiq s TRP 8 Cb -0.04 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2jiq s TRP 8 CO -0.15 0.12 -0.15 0.08 0.02 0.00 0.00 176.95 176.87 2jiq s VAL 9 N -0.14 2.37 0.22 4.03 1.01 -0.25 -4.90 120.40 122.74 2jiq s VAL 9 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2jiq s VAL 9 Cb -0.13 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 2jiq s VAL 9 CO 0.03 0.42 1.34 -0.75 0.00 0.00 0.00 175.10 176.13 2jiq s LYS 10 N 1.30 4.36 0.00 2.72 2.20 -1.26 -1.21 119.74 127.86 2jiq s LYS 10 Ca 0.03 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 2jiq s LYS 10 Cb -0.14 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2jiq s LYS 10 CO -0.10 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 2jiq n GLY 11 N 2.25 2.67 3.19 5.54 0.00 0.33 -1.90 105.19 117.28 2jiq n GLY 11 Ca 0.06 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 2jiq n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jiq s VAL 12 N -1.98 1.33 0.27 1.61 1.01 -1.26 -0.60 120.40 120.78 2jiq s VAL 12 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 2jiq s VAL 12 Cb 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 2jiq s VAL 12 CO 0.00 0.00 1.53 0.00 0.00 0.00 0.00 175.10 176.63 2jiq h ARG 14 N 4.58 0.00 0.00 0.00 9.65 -1.96 -3.44 114.38 123.20 2jiq h ARG 14 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2jiq h ARG 14 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2jiq h ARG 14 CO 0.78 0.15 0.00 0.66 2.80 0.00 0.00 179.97 184.36 2jiq n TYR 15 N -3.49 0.00 -0.72 2.20 4.02 -1.26 -4.73 117.16 113.18 2jiq n TYR 15 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 2jiq n TYR 15 Cb 0.31 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 39.87 2jiq n TYR 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jiq n GLY 17 N 0.27 -0.04 0.31 0.00 0.00 0.08 -2.88 105.19 102.93 2jiq n GLY 17 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2jiq n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jiq h THR 18 N 0.00 1.27 -1.72 2.61 2.02 -1.85 -3.01 112.91 112.22 2jiq h THR 18 Ca 0.00 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 2jiq h THR 18 Cb 0.19 0.82 0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2jiq h THR 18 CO 0.00 0.43 -0.09 0.61 0.37 0.00 0.00 175.52 176.84 2jiq n GLY 19 N -0.39 0.72 3.70 2.16 0.00 -1.14 -4.78 105.19 105.46 2jiq n GLY 19 Ca 0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2jiq n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jiq s GLY 21 N 2.00 2.89 0.19 0.00 0.00 -1.26 0.51 107.32 111.64 2jiq s GLY 21 Ca 0.74 1.03 0.07 0.00 0.00 0.00 0.00 44.72 46.57 2jiq s GLY 21 CO 0.33 1.57 -0.14 -1.34 0.00 0.00 0.00 173.10 173.51 2jiq s VAL 22 N -1.37 1.67 -0.24 1.40 -7.23 0.23 -1.06 120.40 113.80 2jiq s VAL 22 Ca 0.57 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 2jiq s VAL 22 Cb -0.33 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 34.70 2jiq s VAL 22 CO 0.41 -0.56 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.75 2jiq s LEU 23 N -3.17 3.06 -0.32 1.32 1.43 0.17 -0.51 118.68 120.65 2jiq s LEU 23 Ca 0.20 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 2jiq s LEU 23 Cb -0.01 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 2jiq s LEU 23 CO 0.06 -0.14 0.58 -0.69 0.23 0.00 0.00 176.35 176.39 2jiq s VAL 24 N 1.16 4.96 -0.21 -1.59 1.01 -0.35 -1.35 120.40 124.04 2jiq s VAL 24 Ca -0.05 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 2jiq s VAL 24 Cb -0.18 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2jiq s VAL 24 CO -0.07 -0.17 0.48 -0.83 0.00 0.00 0.00 175.10 174.50 2jiq s GLY 25 N 1.70 2.05 0.10 4.51 0.00 0.91 -1.09 107.32 115.49 2jiq s GLY 25 Ca 0.23 -0.47 0.10 0.00 0.00 0.00 0.00 44.72 44.57 2jiq s GLY 25 CO 0.13 1.02 -0.25 -1.34 0.00 0.00 0.00 173.10 172.66 2jiq s VAL 26 N 1.63 2.36 -0.03 1.40 -7.23 -0.02 -1.11 120.40 117.41 2jiq s VAL 26 Ca 0.22 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 2jiq s VAL 26 Cb -0.15 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2jiq s VAL 26 CO 0.09 0.19 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.29 2jiq s LYS 27 N -1.79 0.55 -1.39 4.82 2.20 -0.31 -1.13 119.74 122.69 2jiq s LYS 27 Ca 0.14 -0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2jiq s LYS 27 Cb -0.10 -0.62 0.03 0.00 -1.51 0.00 0.00 37.83 35.63 2jiq s LYS 27 CO 0.05 -0.07 0.98 -0.25 -0.36 0.00 0.00 175.35 175.70 2jiq n ASP 28 N 3.92 -4.00 0.00 1.43 8.00 -1.26 -1.83 116.55 122.80 2jiq n ASP 28 Ca -0.25 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.56 2jiq n ASP 28 Cb 0.52 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 2jiq n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jiq n GLY 29 N -1.67 0.27 3.32 0.44 0.00 -1.26 -4.99 105.19 101.30 2jiq n GLY 29 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2jiq n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jiq s LYS 30 N -0.98 3.04 0.25 1.61 -0.14 -0.76 -4.51 119.74 118.24 2jiq s LYS 30 Ca 0.00 -0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 53.53 2jiq s LYS 30 Cb 0.00 -2.42 -0.10 0.00 -1.68 0.00 0.00 37.83 33.63 2jiq s LYS 30 CO 0.00 0.28 1.45 0.00 -0.76 0.00 0.00 175.35 176.32 2jiq s ALA 31 N 0.13 3.64 0.00 5.17 0.00 -1.26 -1.17 121.76 128.27 2jiq s ALA 31 Ca -0.09 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2jiq s ALA 31 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2jiq s ALA 31 CO 0.06 -0.76 0.00 1.33 0.00 0.00 0.00 175.76 176.39 2jiq n VAL 32 N 2.42 0.00 -3.58 0.00 0.24 -0.26 -4.92 118.33 112.22 2jiq n VAL 32 Ca 0.07 -0.07 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 2jiq n VAL 32 Cb 0.40 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 2jiq n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jiq s ALA 33 N -0.51 -1.38 0.01 2.33 0.00 -1.05 -5.01 121.76 116.16 2jiq s ALA 33 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.73 2jiq s ALA 33 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2jiq s ALA 33 CO 0.00 -0.44 -0.05 -1.50 0.00 0.00 0.00 175.76 173.77 2jiq s ILE 34 N -1.98 0.38 0.13 0.00 2.07 -1.26 -0.06 121.20 120.48 2jiq s ILE 34 Ca -0.08 -0.54 -0.08 0.00 -1.41 0.00 0.00 60.65 58.54 2jiq s ILE 34 Cb -0.01 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 2jiq s ILE 34 CO 0.02 -0.12 0.22 0.00 -1.91 0.00 0.00 174.94 173.16 2jiq s GLN 35 N -0.71 1.00 0.28 3.50 -2.07 -0.46 -4.99 119.66 116.21 2jiq s GLN 35 Ca -0.04 -1.11 -0.29 0.00 -1.82 0.00 0.00 55.36 52.10 2jiq s GLN 35 Cb -0.05 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 32.12 2jiq s GLN 35 CO -0.00 -0.34 1.25 0.20 -1.32 0.00 0.00 175.29 175.08 2jiq s GLY 36 N -2.93 2.87 -0.22 2.60 0.00 -1.16 0.44 107.32 108.92 2jiq s GLY 36 Ca 0.12 1.12 -0.29 0.00 0.00 0.00 0.00 44.72 45.68 2jiq s GLY 36 CO -0.05 1.84 1.83 -0.35 0.00 0.00 0.00 173.10 176.38 2jiq s ASP 37 N -0.36 6.06 0.45 1.64 -1.08 -0.23 -4.42 116.67 118.74 2jiq s ASP 37 Ca 0.50 1.71 0.31 0.00 -0.52 0.00 0.00 52.55 54.55 2jiq s ASP 37 Cb -0.37 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.12 2jiq s ASP 37 CO 0.46 -1.50 1.94 -0.65 0.52 0.00 0.00 175.17 175.93 2jiq h PRO 38 N 12.19 0.00 -0.01 4.34 0.11 -1.88 -1.81 132.00 144.94 2jiq h PRO 38 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jiq h PRO 38 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jiq h PRO 38 CO 0.99 0.00 -0.55 0.09 -0.21 0.00 0.00 178.00 178.32 2jiq n ASN 39 N -2.63 1.57 -4.93 -2.05 3.02 -1.26 -4.12 115.26 104.86 2jiq n ASN 39 Ca -0.01 -1.28 -0.24 0.00 -0.03 0.00 0.00 54.58 53.01 2jiq n ASN 39 Cb 0.12 0.63 0.06 0.00 -0.61 0.00 0.00 39.78 39.99 2jiq n ASN 39 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jiq s ASN 40 N -2.38 4.93 0.59 6.41 3.84 -1.10 -4.64 114.94 122.60 2jiq s ASN 40 Ca 0.13 0.30 0.29 0.00 0.21 0.00 0.00 52.86 53.79 2jiq s ASN 40 Cb 0.15 -1.01 1.52 0.00 -0.55 0.00 0.00 41.25 41.36 2jiq s ASN 40 CO 0.58 -1.48 1.94 1.12 -2.79 0.00 0.00 177.10 176.47 2jiq h HIS 41 N -0.40 0.00 -0.00 0.43 2.07 -1.88 0.11 115.15 115.48 2jiq h HIS 41 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2jiq h HIS 41 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 2jiq h HIS 41 CO 0.32 0.00 -0.02 0.27 -3.07 0.00 0.00 177.93 175.43 2jiq n ASN 42 N -3.71 0.17 -3.95 3.10 6.94 -1.26 -4.92 115.26 111.63 2jiq n ASN 42 Ca 0.07 -0.60 -0.26 0.00 -0.02 0.00 0.00 54.58 53.76 2jiq n ASN 42 Cb 0.58 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.86 2jiq n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jiq n ALA 43 N -1.04 -2.07 0.00 -2.53 0.00 0.38 -0.68 120.51 114.57 2jiq n ALA 43 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2jiq n ALA 43 Cb 0.21 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2jiq n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jiq n GLY 44 N -1.99 2.55 3.86 0.00 0.00 -0.70 -4.84 105.19 104.07 2jiq n GLY 44 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2jiq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jiq s LEU 45 N 0.00 4.24 0.04 0.99 1.43 0.14 -2.98 118.68 122.54 2jiq s LEU 45 Ca 0.00 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 2jiq s LEU 45 Cb 0.00 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2jiq s LEU 45 CO 0.00 0.01 -0.05 -0.76 0.23 0.00 0.00 176.35 175.78 2jiq s LEU 46 N -2.46 2.30 0.88 1.79 1.43 -1.26 -4.76 118.68 116.61 2jiq s LEU 46 Ca 0.43 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2jiq s LEU 46 Cb -0.13 0.02 0.16 0.00 0.03 0.00 0.00 46.19 46.27 2jiq s LEU 46 CO 0.20 -0.33 1.22 0.00 0.23 0.00 0.00 176.35 177.67 2jiq h LEU 48 N -1.27 1.03 -0.25 0.00 5.85 -1.98 -0.23 115.31 118.47 2jiq h LEU 48 Ca -0.43 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.20 2jiq h LEU 48 Cb 1.26 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2jiq h LEU 48 CO 0.42 0.91 -0.18 0.11 -0.34 0.00 0.00 178.44 179.36 2jiq h LYS 49 N 1.09 -0.16 -0.38 1.25 1.57 -1.92 -1.30 116.57 116.73 2jiq h LYS 49 Ca 0.26 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 2jiq h LYS 49 Cb 0.18 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 2jiq h LYS 49 CO -0.03 -0.11 0.01 0.78 -0.57 0.00 0.00 179.45 179.53 2jiq h GLY 50 N -0.17 0.39 2.00 3.86 0.00 -1.81 -2.86 103.07 104.47 2jiq h GLY 50 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2jiq h GLY 50 CO -0.35 -0.09 0.00 1.76 0.00 0.00 0.00 176.54 177.86 2jiq h SER 51 N 0.11 0.00 -1.39 0.19 0.02 -0.66 -3.13 113.55 108.69 2jiq h SER 51 Ca 0.19 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.53 2jiq h SER 51 Cb 0.26 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.40 2jiq h SER 51 CO -0.31 0.00 -0.44 0.18 -1.14 0.00 0.00 176.83 175.13 2jiq n LEU 52 N -2.42 5.27 0.08 5.07 4.77 -0.52 -4.65 117.00 124.59 2jiq n LEU 52 Ca 0.02 -5.02 0.08 0.00 -0.03 0.00 0.00 56.01 51.05 2jiq n LEU 52 Cb 0.24 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 2jiq n LEU 52 CO 0.21 2.11 -0.11 0.18 -1.33 0.00 0.00 177.39 178.45 2jiq n LEU 53 N -0.56 0.82 -0.14 2.23 4.77 -1.18 -4.39 117.00 118.55 2jiq n LEU 53 Ca 0.43 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.65 2jiq n LEU 53 Cb 0.67 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2jiq n LEU 53 CO 0.39 -0.07 0.95 0.40 -1.33 0.00 0.00 177.39 177.72 2jiq h ILE 54 N 0.00 1.18 -0.30 -0.08 1.08 -1.87 -1.14 117.51 116.38 2jiq h ILE 54 Ca -0.05 -0.53 0.09 0.00 -0.39 0.00 0.00 64.86 63.98 2jiq h ILE 54 Cb 1.19 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2jiq h ILE 54 CO 0.01 0.20 0.30 1.55 -0.69 0.00 0.00 178.15 179.52 2jiq h PRO 55 N 0.51 0.00 0.11 2.37 0.13 -1.95 0.03 132.00 133.21 2jiq h PRO 55 Ca 0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 2jiq h PRO 55 Cb 0.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.28 2jiq h PRO 55 CO -0.02 0.00 -0.75 0.28 -0.23 0.00 0.00 178.00 177.28 2jiq h VAL 56 N 0.00 1.50 -0.98 1.56 2.07 -1.58 -2.27 116.25 116.56 2jiq h VAL 56 Ca 0.14 -2.49 0.18 0.00 0.82 0.00 0.00 66.70 65.35 2jiq h VAL 56 Cb 0.74 3.17 -0.09 0.00 -1.52 0.00 0.00 31.29 33.59 2jiq h VAL 56 CO -0.00 0.69 0.61 0.25 0.02 0.00 0.00 177.57 179.14 2jiq h LEU 57 N -0.48 0.73 -1.16 2.57 5.85 -1.08 -2.51 115.31 119.23 2jiq h LEU 57 Ca -0.14 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jiq h LEU 57 Cb 1.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2jiq h LEU 57 CO 0.11 0.30 0.00 0.59 -0.34 0.00 0.00 178.44 179.10 2jiq n ASN 58 N -4.67 1.78 -4.76 1.25 3.02 -0.02 -4.96 115.26 106.91 2jiq n ASN 58 Ca 0.21 -1.61 -0.39 0.00 -0.03 0.00 0.00 54.58 52.76 2jiq n ASN 58 Cb 0.55 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.72 2jiq n ASN 58 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jiq s SER 59 N -1.93 5.88 0.00 6.41 0.15 -0.86 -4.91 113.70 118.44 2jiq s SER 59 Ca 0.36 2.79 0.26 0.00 0.70 0.00 0.00 55.95 60.06 2jiq s SER 59 Cb 0.20 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.41 2jiq s SER 59 CO 0.32 -1.16 1.45 0.29 1.20 0.00 0.00 173.24 175.34 2jiq n LYS 60 N -0.30 1.98 -2.50 5.44 4.76 -1.26 -4.65 118.16 121.63 2jiq n LYS 60 Ca 0.06 -1.47 -0.43 0.00 -2.87 0.00 0.00 58.31 53.60 2jiq n LYS 60 Cb 0.43 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2jiq n LYS 60 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jiq n GLU 61 N 0.78 3.46 -4.23 1.97 1.02 -1.26 -4.91 120.64 117.47 2jiq n GLU 61 Ca 0.16 -3.55 -0.17 0.00 -0.02 0.00 0.00 57.16 53.58 2jiq n GLU 61 Cb 0.49 -3.02 -0.13 0.00 -0.02 0.00 0.00 31.44 28.76 2jiq n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jiq s ARG 62 N 1.21 0.75 -0.41 3.49 1.81 -1.26 -4.34 118.95 120.19 2jiq s ARG 62 Ca 0.42 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 53.44 2jiq s ARG 62 Cb 0.06 -0.69 0.01 0.00 -0.45 0.00 0.00 34.95 33.88 2jiq s ARG 62 CO 0.00 0.16 1.42 0.08 -0.68 0.00 0.00 175.30 176.29 2jiq s VAL 63 N -0.94 3.89 0.00 3.52 1.01 -0.69 -4.83 120.40 122.35 2jiq s VAL 63 Ca -0.02 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2jiq s VAL 63 Cb -0.08 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2jiq s VAL 63 CO 0.01 -0.75 0.83 0.35 0.00 0.00 0.00 175.10 175.54 2jiq n THR 64 N 7.10 0.69 -3.61 3.92 -2.24 -1.26 -4.37 114.28 114.52 2jiq n THR 64 Ca 0.17 -0.77 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 2jiq n THR 64 Cb 0.48 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 2jiq n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jiq s GLN 65 N -0.69 0.92 0.61 -0.78 -2.07 -1.26 -0.25 119.66 116.13 2jiq s GLN 65 Ca 0.00 0.13 -0.17 0.00 -1.82 0.00 0.00 55.36 53.51 2jiq s GLN 65 Cb 0.00 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 2jiq s GLN 65 CO 0.00 -0.27 1.12 -2.14 -1.32 0.00 0.00 175.29 172.67 2jiq s PRO 66 N -1.17 3.04 -0.01 9.60 0.02 -1.26 -4.35 135.00 140.86 2jiq s PRO 66 Ca -0.11 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.39 2jiq s PRO 66 Cb -0.02 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.54 2jiq s PRO 66 CO 0.08 -1.08 -0.02 -0.51 -0.33 0.00 0.00 177.00 175.14 2jiq s LEU 67 N -4.43 1.68 0.05 -5.54 1.43 -0.17 -1.83 118.68 109.88 2jiq s LEU 67 Ca 0.69 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2jiq s LEU 67 Cb -0.22 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 2jiq s LEU 67 CO 0.35 -0.01 -0.11 0.68 0.23 0.00 0.00 176.35 177.49 2jiq s VAL 68 N 0.35 3.30 -0.32 -1.59 -7.23 -0.34 -0.50 120.40 114.06 2jiq s VAL 68 Ca -0.03 -1.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.96 2jiq s VAL 68 Cb -0.06 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2jiq s VAL 68 CO -0.01 0.27 0.15 -0.60 -0.31 0.00 0.00 175.10 174.61 2jiq s ARG 69 N -1.72 3.22 0.33 4.82 3.52 0.37 -0.38 118.95 129.11 2jiq s ARG 69 Ca 0.18 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 55.07 2jiq s ARG 69 Cb -0.11 -3.57 0.58 0.00 -1.56 0.00 0.00 34.95 30.29 2jiq s ARG 69 CO 0.09 -0.47 1.78 0.00 -0.81 0.00 0.00 175.30 175.89 2jiq h ARG 70 N 8.35 0.20 -3.76 5.12 2.47 -1.86 -3.44 114.38 121.46 2jiq h ARG 70 Ca -0.31 -0.08 -0.18 0.00 -1.26 0.00 0.00 59.98 58.15 2jiq h ARG 70 Cb 1.14 -0.01 -0.23 0.00 -1.65 0.00 0.00 29.97 29.21 2jiq h ARG 70 CO 0.62 0.51 -0.65 -1.01 0.56 0.00 0.00 179.97 180.01 2jiq s HIS 71 N -4.30 0.10 0.18 3.04 3.76 -1.26 -5.09 115.29 111.72 2jiq s HIS 71 Ca -0.04 -0.21 -0.33 0.00 -0.15 0.00 0.00 55.06 54.32 2jiq s HIS 71 Cb 0.14 -0.09 -0.13 0.00 1.11 0.00 0.00 32.58 33.61 2jiq s HIS 71 CO 0.75 -0.15 1.63 1.63 -0.85 0.00 0.00 174.74 177.75 2jiq n LYS 72 N 2.10 2.39 -0.56 1.40 4.76 -1.26 -1.44 118.16 125.55 2jiq n LYS 72 Ca -0.19 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 2jiq n LYS 72 Cb 0.57 -2.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 2jiq n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jiq n GLY 73 N 3.58 0.91 0.81 0.72 0.00 -1.26 -5.05 105.19 104.90 2jiq n GLY 73 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2jiq n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jiq n GLY 74 N -2.00 -0.40 3.87 -0.02 0.00 -0.52 -5.09 105.19 101.03 2jiq n GLY 74 Ca 0.00 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 2jiq n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jiq s LYS 75 N -3.34 3.74 -0.10 1.61 2.20 -1.26 -5.00 119.74 117.59 2jiq s LYS 75 Ca 0.15 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 2jiq s LYS 75 Cb -0.01 -2.99 -0.02 0.00 -1.51 0.00 0.00 37.83 33.31 2jiq s LYS 75 CO 0.10 0.56 1.15 -0.51 -0.36 0.00 0.00 175.35 176.29 2jiq s LEU 76 N -1.97 4.24 -0.03 5.43 1.43 -1.26 -4.44 118.68 122.09 2jiq s LEU 76 Ca 0.33 1.70 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 2jiq s LEU 76 Cb -0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2jiq s LEU 76 CO 0.18 -0.59 -0.24 -1.61 0.23 0.00 0.00 176.35 174.33 2jiq s GLU 77 N 2.46 2.22 0.27 1.70 2.02 0.49 -4.90 118.70 122.95 2jiq s GLU 77 Ca 0.53 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 54.35 2jiq s GLU 77 Cb -0.22 -2.11 -0.15 0.00 0.10 0.00 0.00 34.13 31.75 2jiq s GLU 77 CO 0.19 0.56 0.95 -2.30 0.02 0.00 0.00 175.26 174.67 2jiq n PRO 78 N 2.46 1.14 -3.92 0.39 -0.02 -1.26 -1.20 135.00 132.59 2jiq n PRO 78 Ca -0.16 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 2jiq n PRO 78 Cb 0.51 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 2jiq n PRO 78 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jiq s VAL 79 N -0.99 0.14 0.58 -1.45 0.11 -0.76 -4.80 120.40 113.23 2jiq s VAL 79 Ca 0.60 -1.33 -0.10 0.00 -2.93 0.00 0.00 61.98 58.22 2jiq s VAL 79 Cb -0.74 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 2jiq s VAL 79 CO 0.59 -0.63 0.96 -0.94 -3.33 0.00 0.00 175.10 171.75 2jiq s SER 80 N -2.90 6.26 0.28 3.54 1.04 -1.26 -4.05 113.70 116.61 2jiq s SER 80 Ca 0.08 1.30 0.01 0.00 0.48 0.00 0.00 55.95 57.83 2jiq s SER 80 Cb 0.05 -2.41 0.62 0.00 0.10 0.00 0.00 66.02 64.38 2jiq s SER 80 CO -0.08 -0.78 1.74 -0.50 0.98 0.00 0.00 173.24 174.60 2jiq h TRP 81 N -0.10 0.77 -0.11 5.02 4.06 -1.98 -1.61 115.95 122.00 2jiq h TRP 81 Ca -0.45 0.04 -0.11 0.00 2.06 0.00 0.00 58.89 60.43 2jiq h TRP 81 Cb 1.19 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2jiq h TRP 81 CO 0.64 0.12 -0.35 -0.44 -3.56 0.00 0.00 178.44 174.85 2jiq h ASP 82 N 0.57 0.51 0.39 -3.49 3.32 -1.98 0.11 116.42 115.85 2jiq h ASP 82 Ca 0.51 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2jiq h ASP 82 Cb 0.81 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2jiq h ASP 82 CO -0.41 1.02 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.76 2jiq h GLU 83 N 0.02 -0.65 -0.48 3.56 4.81 -1.96 -0.27 114.58 119.62 2jiq h GLU 83 Ca -0.01 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2jiq h GLU 83 Cb 0.98 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 2jiq h GLU 83 CO 0.08 -0.43 -0.04 0.00 -0.73 0.00 0.00 179.01 177.88 2jiq h ALA 84 N -0.14 0.40 -0.52 2.92 0.00 -1.33 0.23 119.26 120.83 2jiq h ALA 84 Ca -0.03 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2jiq h ALA 84 Cb 0.57 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2jiq h ALA 84 CO 0.00 -0.41 0.06 -0.07 0.00 0.00 0.00 179.25 178.84 2jiq h LEU 85 N 0.07 0.80 -0.67 0.00 3.38 -0.67 0.16 115.31 118.37 2jiq h LEU 85 Ca 0.24 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2jiq h LEU 85 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jiq h LEU 85 CO -0.43 0.82 -0.51 0.44 0.09 0.00 0.00 178.44 178.85 2jiq h ASP 86 N 0.79 0.44 -0.27 -0.43 5.19 -0.73 -1.64 116.42 119.78 2jiq h ASP 86 Ca 0.16 -0.22 -0.16 0.00 -0.62 0.00 0.00 57.03 56.19 2jiq h ASP 86 Cb 0.39 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2jiq h ASP 86 CO 0.01 0.88 -0.44 0.25 -3.12 0.00 0.00 179.24 176.81 2jiq h LEU 87 N 0.32 0.90 0.05 1.55 5.85 0.03 -2.64 115.31 121.37 2jiq h LEU 87 Ca 0.01 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2jiq h LEU 87 Cb 1.01 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2jiq h LEU 87 CO 0.09 1.21 -0.03 -0.03 -0.34 0.00 0.00 178.44 179.34 2jiq h MET 88 N 0.67 -0.07 0.18 1.25 4.05 -0.97 -2.74 114.93 117.29 2jiq h MET 88 Ca 0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2jiq h MET 88 Cb 1.02 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2jiq h MET 88 CO 0.10 0.20 -0.09 0.00 0.23 0.00 0.00 176.91 177.35 2jiq h ALA 89 N 0.59 -0.24 -0.46 0.39 0.00 -1.36 -2.55 119.26 115.63 2jiq h ALA 89 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2jiq h ALA 89 Cb 0.30 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jiq h ALA 89 CO 0.01 -0.60 0.04 0.66 0.00 0.00 0.00 179.25 179.36 2jiq h SER 90 N -0.30 0.69 0.08 0.00 4.64 -1.59 0.47 113.55 117.54 2jiq h SER 90 Ca -0.02 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2jiq h SER 90 Cb 0.23 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2jiq h SER 90 CO 0.04 0.74 -0.04 0.03 -0.87 0.00 0.00 176.83 176.73 2jiq h ARG 91 N 0.70 -0.10 0.01 4.77 2.47 -1.45 -1.43 114.38 119.34 2jiq h ARG 91 Ca 0.14 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2jiq h ARG 91 Cb 0.37 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2jiq h ARG 91 CO 0.01 0.31 -0.06 0.74 0.56 0.00 0.00 179.97 181.54 2jiq h PHE 92 N -0.54 -0.15 -0.29 3.04 -1.00 -1.45 -1.03 116.94 115.51 2jiq h PHE 92 Ca -0.01 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.84 2jiq h PHE 92 Cb 0.46 0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.02 2jiq h PHE 92 CO 0.07 -0.09 -0.15 -0.09 -1.61 0.00 0.00 178.31 176.44 2jiq h ARG 93 N -0.11 -0.10 0.00 1.51 9.65 -0.90 -1.84 114.38 122.59 2jiq h ARG 93 Ca 0.02 0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.74 2jiq h ARG 93 Cb 0.13 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 2jiq h ARG 93 CO -0.06 -0.07 -0.94 0.66 2.80 0.00 0.00 179.97 182.37 2jiq h SER 94 N -0.11 0.00 -0.28 -3.80 4.64 -1.25 -1.65 113.55 111.10 2jiq h SER 94 Ca 0.15 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 2jiq h SER 94 Cb 0.34 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.36 2jiq h SER 94 CO -0.36 0.75 -0.17 -1.28 -0.87 0.00 0.00 176.83 174.90 2jiq h SER 95 N 0.00 -0.57 -0.29 4.97 0.87 -1.00 -1.89 113.55 115.65 2jiq h SER 95 Ca -0.06 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2jiq h SER 95 Cb 1.62 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 63.82 2jiq h SER 95 CO 0.09 -0.21 -0.06 0.40 -0.53 0.00 0.00 176.83 176.52 2jiq h ILE 96 N -0.15 0.73 -0.39 2.23 2.04 -1.05 0.20 117.51 121.12 2jiq h ILE 96 Ca 0.15 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.12 2jiq h ILE 96 Cb 0.37 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2jiq h ILE 96 CO -0.37 0.00 0.35 0.44 0.00 0.00 0.00 178.15 178.58 2jiq h ASP 97 N 0.02 0.00 0.01 1.72 3.32 -1.02 0.66 116.42 121.12 2jiq h ASP 97 Ca 0.14 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.79 2jiq h ASP 97 Cb 0.20 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 2jiq h ASP 97 CO -0.28 0.00 -2.45 0.23 -1.72 0.00 0.00 179.24 175.02 2jiq n MET 98 N -4.01 0.65 0.00 3.56 2.81 -0.74 -4.71 117.12 114.68 2jiq n MET 98 Ca 0.07 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 2jiq n MET 98 Cb 0.53 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2jiq n MET 98 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2jiq n TYR 99 N -3.38 0.00 0.00 2.03 4.01 0.64 -5.10 117.16 115.35 2jiq n TYR 99 Ca -0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 2jiq n TYR 99 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 2jiq n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jiq n GLY 100 N 0.64 -0.52 0.44 2.72 0.00 0.23 -4.66 105.19 104.05 2jiq n GLY 100 Ca 0.00 -1.72 0.26 0.00 0.00 0.00 0.00 46.02 44.56 2jiq n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jiq h PRO 101 N 0.00 0.04 -0.01 1.61 0.11 -1.79 -2.74 132.00 129.22 2jiq h PRO 101 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jiq h PRO 101 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2jiq h PRO 101 CO 0.00 0.02 0.00 0.09 -0.21 0.00 0.00 178.00 177.90 2jiq n ASN 102 N -4.31 0.26 -0.87 -2.05 3.02 -1.26 -2.90 115.26 107.15 2jiq n ASN 102 Ca 0.17 -1.13 0.07 0.00 -0.03 0.00 0.00 54.58 53.65 2jiq n ASN 102 Cb 0.86 -0.00 0.20 0.00 -0.61 0.00 0.00 39.78 40.23 2jiq n ASN 102 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jiq n SER 103 N -0.77 2.51 -3.93 6.41 3.41 -1.03 -4.56 113.62 115.65 2jiq n SER 103 Ca 0.22 -2.06 -0.14 0.00 -0.26 0.00 0.00 58.87 56.63 2jiq n SER 103 Cb 0.15 -0.33 -0.14 0.00 -0.26 0.00 0.00 64.21 63.63 2jiq n SER 103 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jiq s VAL 104 N -1.48 0.23 0.07 -3.33 1.01 -1.14 -0.27 120.40 115.49 2jiq s VAL 104 Ca 0.30 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2jiq s VAL 104 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.33 2jiq s VAL 104 CO 0.19 0.02 0.18 0.00 0.00 0.00 0.00 175.10 175.49 2jiq s ALA 105 N -0.17 -0.22 -0.18 5.51 0.00 -0.70 -4.68 121.76 121.34 2jiq s ALA 105 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2jiq s ALA 105 Cb -0.02 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2jiq s ALA 105 CO -0.00 -0.47 -0.19 -0.46 0.00 0.00 0.00 175.76 174.64 2jiq s TRP 106 N -3.56 2.77 -0.42 0.00 -0.11 -0.23 -2.49 118.94 114.91 2jiq s TRP 106 Ca 0.03 -1.57 -0.04 0.00 1.22 0.00 0.00 56.10 55.74 2jiq s TRP 106 Cb 0.04 -1.91 0.11 0.00 -1.50 0.00 0.00 33.47 30.20 2jiq s TRP 106 CO -0.09 -0.77 0.22 -0.47 -4.62 0.00 0.00 176.95 171.22 2jiq s TYR 107 N 1.23 3.57 0.00 5.86 5.04 0.58 -0.90 117.35 132.72 2jiq s TYR 107 Ca 0.03 -2.34 0.00 0.00 -2.44 0.00 0.00 57.07 52.32 2jiq s TYR 107 Cb -0.13 -3.26 0.00 0.00 0.35 0.00 0.00 41.96 38.92 2jiq s TYR 107 CO -0.11 -0.98 0.00 0.41 -1.34 0.00 0.00 175.55 173.54 2jiq n GLY 108 N 4.64 2.92 3.44 8.97 0.00 -0.66 -0.73 105.19 123.77 2jiq n GLY 108 Ca -0.03 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 2jiq n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jiq s SER 109 N -0.45 -0.53 -0.02 1.61 0.15 -1.25 -2.26 113.70 110.96 2jiq s SER 109 Ca 0.00 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.32 2jiq s SER 109 Cb 0.00 0.57 0.19 0.00 -1.71 0.00 0.00 66.02 65.08 2jiq s SER 109 CO 0.00 -0.51 1.05 0.61 1.20 0.00 0.00 173.24 175.59 2jiq n GLY 110 N 1.27 0.57 0.16 9.45 0.00 -1.26 -3.10 105.19 112.27 2jiq n GLY 110 Ca -0.19 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.66 2jiq n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jiq n GLN 111 N 0.11 2.35 -2.00 1.61 6.02 -1.26 -0.27 117.38 123.94 2jiq n GLN 111 Ca 0.07 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 56.34 2jiq n GLN 111 Cb 0.28 -1.14 0.02 0.00 1.02 0.00 0.00 30.24 30.42 2jiq n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jiq s LEU 113 N -4.37 3.86 0.31 0.00 1.43 -1.26 -4.84 118.68 113.81 2jiq s LEU 113 Ca 0.69 2.47 0.07 0.00 -1.03 0.00 0.00 54.13 56.34 2jiq s LEU 113 Cb -0.22 -4.36 0.86 0.00 0.03 0.00 0.00 46.19 42.51 2jiq s LEU 113 CO 0.35 -1.32 1.67 0.74 0.23 0.00 0.00 176.35 178.03 2jiq h THR 114 N 1.45 0.38 -0.42 5.49 2.02 -1.64 -1.69 112.91 118.50 2jiq h THR 114 Ca -0.50 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 2jiq h THR 114 Cb 1.28 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2jiq h THR 114 CO 0.58 0.06 -0.14 -0.33 0.37 0.00 0.00 175.52 176.06 2jiq h GLU 115 N 0.34 0.84 0.46 6.66 3.07 -1.90 0.66 114.58 124.71 2jiq h GLU 115 Ca 0.63 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2jiq h GLU 115 Cb 1.30 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 2jiq h GLU 115 CO -0.58 0.97 -0.48 0.93 -1.40 0.00 0.00 179.01 178.45 2jiq h GLU 116 N 0.67 -0.91 -0.86 2.33 5.08 -1.79 -2.06 114.58 117.04 2jiq h GLU 116 Ca 0.10 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2jiq h GLU 116 Cb 0.69 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 2jiq h GLU 116 CO 0.05 -0.61 0.56 0.77 -1.00 0.00 0.00 179.01 178.78 2jiq h SER 117 N -0.95 0.75 -0.40 1.42 0.02 -1.19 -1.82 113.55 111.39 2jiq h SER 117 Ca -0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2jiq h SER 117 Cb 0.83 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2jiq h SER 117 CO -0.07 0.44 0.15 0.22 -1.14 0.00 0.00 176.83 176.42 2jiq h TYR 118 N 0.83 0.62 -0.07 3.45 3.20 -0.72 -1.09 116.97 123.19 2jiq h TYR 118 Ca 0.40 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2jiq h TYR 118 Cb 0.44 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2jiq h TYR 118 CO -0.00 0.56 -0.05 0.28 -1.64 0.00 0.00 178.16 177.31 2jiq h VAL 119 N 0.49 1.34 -0.77 1.81 2.07 -0.89 -2.52 116.25 117.79 2jiq h VAL 119 Ca 0.13 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2jiq h VAL 119 Cb 0.21 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2jiq h VAL 119 CO -0.01 0.31 0.48 0.00 0.02 0.00 0.00 177.57 178.37 2jiq h ALA 120 N 0.60 1.01 -0.94 1.67 0.00 -1.36 -0.80 119.26 119.44 2jiq h ALA 120 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jiq h ALA 120 Cb 0.52 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2jiq h ALA 120 CO 0.01 0.27 0.61 -0.97 0.00 0.00 0.00 179.25 179.17 2jiq h ASN 121 N 0.93 0.94 0.09 0.00 -1.24 -1.17 -2.19 115.58 112.93 2jiq h ASN 121 Ca 0.31 0.01 -0.20 0.00 0.71 0.00 0.00 56.30 57.14 2jiq h ASN 121 Cb 0.05 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2jiq h ASN 121 CO -0.12 0.59 -0.73 0.50 -1.29 0.00 0.00 177.43 176.37 2jiq h LYS 122 N 1.05 0.56 0.35 6.67 3.64 -1.06 -1.58 116.57 126.21 2jiq h LYS 122 Ca 0.41 -0.45 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2jiq h LYS 122 Cb 0.24 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jiq h LYS 122 CO -0.17 1.07 -0.17 0.82 -2.27 0.00 0.00 179.45 178.74 2jiq h ILE 123 N 0.39 0.66 -0.03 2.00 2.04 -0.89 0.72 117.51 122.39 2jiq h ILE 123 Ca -0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2jiq h ILE 123 Cb 1.32 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2jiq h ILE 123 CO 0.14 0.02 -0.04 -0.26 0.00 0.00 0.00 178.15 178.01 2jiq h PHE 124 N -0.52 0.10 0.10 1.37 -1.00 -1.49 0.83 116.94 116.33 2jiq h PHE 124 Ca -0.05 -0.03 -0.28 0.00 2.81 0.00 0.00 57.97 60.42 2jiq h PHE 124 Cb 0.39 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2jiq h PHE 124 CO -0.04 0.56 -1.33 0.87 -1.61 0.00 0.00 178.31 176.75 2jiq h LYS 125 N -0.38 0.21 0.01 1.51 1.57 -1.28 0.10 116.57 118.31 2jiq h LYS 125 Ca 0.01 -0.35 -0.38 0.00 -1.87 0.00 0.00 60.65 58.05 2jiq h LYS 125 Cb 0.54 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 2jiq h LYS 125 CO 0.01 1.11 -2.44 0.41 -0.57 0.00 0.00 179.45 177.97 2jiq n GLY 126 N 1.55 -0.47 0.10 3.86 0.00 -0.41 -4.11 105.19 105.72 2jiq n GLY 126 Ca -0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 2jiq n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jiq h GLY 127 N 2.27 -0.24 1.53 -0.02 0.00 0.27 -3.41 103.07 103.47 2jiq h GLY 127 Ca -0.57 0.09 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 2jiq h GLY 127 CO -0.06 -0.09 -0.91 0.74 0.00 0.00 0.00 176.54 176.22 2jiq h PHE 128 N -0.44 0.00 -0.48 5.60 0.04 0.12 -3.48 116.94 118.29 2jiq h PHE 128 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2jiq h PHE 128 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2jiq h PHE 128 CO 0.06 0.51 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 2jiq n GLY 129 N 1.29 0.85 3.19 -1.45 0.00 0.31 -4.50 105.19 104.88 2jiq n GLY 129 Ca -0.03 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 2jiq n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jiq s THR 130 N -2.48 1.28 -2.37 2.61 -1.32 -0.86 -4.56 115.64 107.93 2jiq s THR 130 Ca 0.00 -1.25 0.22 0.00 -1.21 0.00 0.00 61.69 59.46 2jiq s THR 130 Cb 0.00 -1.18 0.39 0.00 -1.51 0.00 0.00 72.50 70.20 2jiq s THR 130 CO 0.00 -0.08 1.36 0.59 -2.21 0.00 0.00 174.62 174.28 2jiq n ASN 131 N 1.49 3.35 -3.33 8.08 5.03 -1.26 -3.32 115.26 125.30 2jiq n ASN 131 Ca -0.19 -1.97 -0.28 0.00 0.87 0.00 0.00 54.58 53.01 2jiq n ASN 131 Cb 0.54 -0.22 -0.05 0.00 -1.02 0.00 0.00 39.78 39.03 2jiq n ASN 131 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jiq n ASN 132 N 1.41 1.84 -3.99 6.41 3.02 -1.26 -3.52 115.26 119.16 2jiq n ASN 132 Ca 0.18 -2.37 -0.30 0.00 -0.03 0.00 0.00 54.58 52.06 2jiq n ASN 132 Cb 0.58 -0.76 -0.16 0.00 -0.61 0.00 0.00 39.78 38.83 2jiq n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jiq s VAL 133 N 5.30 1.48 0.00 2.41 1.01 -1.26 -1.07 120.40 128.27 2jiq s VAL 133 Ca 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2jiq s VAL 133 Cb 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2jiq s VAL 133 CO 0.13 0.40 0.00 -0.67 0.00 0.00 0.00 175.10 174.96 2jiq n ASP 134 N 4.79 0.00 0.00 3.32 2.03 -0.07 -0.23 116.55 126.39 2jiq n ASP 134 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2jiq n ASP 134 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jiq n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jiq n GLY 135 N 0.00 -0.72 0.13 0.27 0.00 -1.26 -1.65 105.19 101.96 2jiq n GLY 135 Ca 0.00 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.86 2jiq n GLY 135 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jiq h ASN 136 N 0.00 0.00 0.21 1.61 7.08 -1.80 -2.23 115.58 120.45 2jiq h ASN 136 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2jiq h ASN 136 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2jiq h ASN 136 CO 0.00 0.00 -0.00 -0.65 -2.08 0.00 0.00 177.43 174.70 2jiq h PRO 137 N 0.00 0.00 -0.75 4.14 0.11 -1.93 0.27 132.00 133.85 2jiq h PRO 137 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2jiq h PRO 137 Cb 0.46 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 2jiq h PRO 137 CO 0.00 0.00 0.49 -0.09 -0.21 0.00 0.00 178.00 178.19 2jiq h ARG 138 N 0.00 0.77 0.00 1.05 9.65 -1.80 0.92 114.38 124.97 2jiq h ARG 138 Ca -0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2jiq h ARG 138 Cb 0.11 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 2jiq h ARG 138 CO 0.00 0.51 0.00 1.28 2.80 0.00 0.00 179.97 184.56 2jiq n LEU 139 N -4.48 0.00 0.00 3.80 4.77 0.08 -4.21 117.00 116.96 2jiq n LEU 139 Ca 0.11 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2jiq n LEU 139 Cb 0.22 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2jiq n LEU 139 CO 0.34 -0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 2jiq n MET 141 N -0.90 0.12 -0.32 0.00 2.81 0.21 -4.38 117.12 114.67 2jiq n MET 141 Ca 0.00 0.03 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 2jiq n MET 141 Cb 0.00 -1.58 0.23 0.00 -0.71 0.00 0.00 33.22 31.17 2jiq n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jiq h ALA 142 N 2.79 1.01 -0.33 3.04 0.00 -1.66 0.26 119.26 124.37 2jiq h ALA 142 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2jiq h ALA 142 Cb 0.60 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jiq h ALA 142 CO 0.00 -0.50 0.02 0.77 0.00 0.00 0.00 179.25 179.54 2jiq h SER 143 N 0.05 0.47 0.33 0.00 0.02 -1.83 -1.24 113.55 111.35 2jiq h SER 143 Ca 0.53 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 61.20 2jiq h SER 143 Cb 1.02 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 2jiq h SER 143 CO -0.84 0.52 -0.81 0.00 -1.14 0.00 0.00 176.83 174.56 2jiq h ALA 144 N 1.54 0.51 -0.29 3.77 0.00 -0.88 -0.94 119.26 122.99 2jiq h ALA 144 Ca 0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jiq h ALA 144 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jiq h ALA 144 CO 0.01 0.80 0.16 0.28 0.00 0.00 0.00 179.25 180.50 2jiq h VAL 145 N 0.24 1.12 -0.50 0.00 2.07 -0.70 -1.22 116.25 117.26 2jiq h VAL 145 Ca -0.05 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2jiq h VAL 145 Cb 1.41 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2jiq h VAL 145 CO 0.14 0.12 0.21 1.23 0.02 0.00 0.00 177.57 179.29 2jiq h GLY 146 N 0.35 0.79 0.47 2.17 0.00 -1.18 -1.94 103.07 103.74 2jiq h GLY 146 Ca 0.10 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2jiq h GLY 146 CO -0.02 0.40 -0.36 -1.33 0.00 0.00 0.00 176.54 175.23 2jiq h GLY 147 N 0.66 -0.77 1.04 4.60 0.00 -1.19 -1.61 103.07 105.80 2jiq h GLY 147 Ca 0.17 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.88 2jiq h GLY 147 CO -0.02 -0.28 0.32 -0.97 0.00 0.00 0.00 176.54 175.60 2jiq h TYR 148 N -0.66 1.16 -0.24 5.60 0.05 -1.23 -1.97 116.97 119.69 2jiq h TYR 148 Ca 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 2jiq h TYR 148 Cb 0.64 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2jiq h TYR 148 CO -0.27 0.88 0.07 0.28 -1.05 0.00 0.00 178.16 178.06 2jiq h VAL 149 N 1.11 1.20 -0.13 -2.88 2.07 -1.33 0.18 116.25 116.48 2jiq h VAL 149 Ca 0.26 -0.66 -0.20 0.00 0.82 0.00 0.00 66.70 66.92 2jiq h VAL 149 Cb 0.20 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2jiq h VAL 149 CO -0.02 0.21 -0.72 0.71 0.02 0.00 0.00 177.57 177.77 2jiq h THR 150 N 0.22 1.33 0.00 2.57 1.35 -1.24 0.58 112.91 117.73 2jiq h THR 150 Ca 0.08 -2.02 -0.15 0.00 -0.55 0.00 0.00 66.41 63.77 2jiq h THR 150 Cb 0.26 2.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2jiq h THR 150 CO -0.00 0.62 -0.58 0.28 -0.25 0.00 0.00 175.52 175.59 2jiq h SER 151 N 0.42 0.50 -0.00 5.36 0.02 -1.38 -3.41 113.55 115.06 2jiq h SER 151 Ca -0.03 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2jiq h SER 151 Cb 1.32 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2jiq h SER 151 CO 0.14 1.21 -0.16 0.49 -1.14 0.00 0.00 176.83 177.37 2jiq n PHE 152 N -4.24 0.00 -0.40 3.45 3.72 0.60 -1.20 117.46 119.40 2jiq n PHE 152 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2jiq n PHE 152 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 2jiq n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jiq n GLY 153 N 1.00 1.77 3.07 1.37 0.00 0.20 -3.74 105.19 108.87 2jiq n GLY 153 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2jiq n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jiq s LYS 154 N -0.07 0.56 0.72 1.61 -0.14 -1.25 -4.60 119.74 116.57 2jiq s LYS 154 Ca 0.00 -0.88 -0.11 0.00 -1.36 0.00 0.00 55.97 53.62 2jiq s LYS 154 Cb 0.00 -0.19 0.02 0.00 -1.68 0.00 0.00 37.83 35.98 2jiq s LYS 154 CO 0.00 0.01 1.07 0.34 -0.76 0.00 0.00 175.35 176.01 2jiq s ASP 155 N -1.93 5.17 0.00 2.83 2.15 -1.26 -3.52 116.67 120.11 2jiq s ASP 155 Ca -0.06 1.53 0.00 0.00 0.43 0.00 0.00 52.55 54.45 2jiq s ASP 155 Cb -0.06 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2jiq s ASP 155 CO -0.01 -1.57 0.00 -0.62 -0.17 0.00 0.00 175.17 172.80 2jiq n GLU 156 N -3.20 0.00 -0.94 4.34 -0.58 -1.26 -4.96 120.64 114.04 2jiq n GLU 156 Ca 0.07 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.50 2jiq n GLU 156 Cb 0.54 0.00 0.14 0.00 -0.57 0.00 0.00 31.44 31.55 2jiq n GLU 156 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2jiq s PRO 157 N -3.60 1.42 0.01 3.49 0.02 -1.26 -4.95 135.00 130.12 2jiq s PRO 157 Ca 0.00 1.56 0.23 0.00 0.02 0.00 0.00 61.00 62.82 2jiq s PRO 157 Cb 0.00 -1.77 0.15 0.00 0.02 0.00 0.00 34.50 32.90 2jiq s PRO 157 CO 0.00 -2.33 1.15 0.00 -0.33 0.00 0.00 177.00 175.49 2jiq n MET 158 N -3.79 0.05 -0.37 5.54 0.00 -1.26 -4.92 117.12 112.37 2jiq n MET 158 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 2jiq n MET 158 Cb 0.52 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 32.22 2jiq n MET 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jiq n GLY 159 N 1.48 6.94 3.35 3.17 0.00 -1.26 -1.90 105.19 116.97 2jiq n GLY 159 Ca 0.04 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 2jiq n GLY 159 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jiq s THR 160 N 0.68 0.02 0.31 2.61 -1.32 -1.26 -4.86 115.64 111.82 2jiq s THR 160 Ca 0.00 -1.67 0.27 0.00 -1.21 0.00 0.00 61.69 59.08 2jiq s THR 160 Cb 0.00 -2.21 0.28 0.00 -1.51 0.00 0.00 72.50 69.06 2jiq s THR 160 CO 0.00 -0.11 1.99 1.88 -2.21 0.00 0.00 174.62 176.17 2jiq h TYR 161 N 2.51 0.00 -0.04 9.09 0.05 -1.96 -2.91 116.97 123.72 2jiq h TYR 161 Ca -0.32 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.47 2jiq h TYR 161 Cb 1.24 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.98 2jiq h TYR 161 CO 0.38 0.15 0.03 0.00 -1.05 0.00 0.00 178.16 177.67 2jiq h ALA 162 N 1.85 2.03 0.00 3.88 0.00 -1.98 -1.19 119.26 123.86 2jiq h ALA 162 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jiq h ALA 162 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jiq h ALA 162 CO 0.02 -0.04 0.24 -0.44 0.00 0.00 0.00 179.25 179.03 2jiq h ASP 163 N 0.00 0.00 0.04 0.00 3.32 -1.90 -1.97 116.42 115.91 2jiq h ASP 163 Ca 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 2jiq h ASP 163 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2jiq h ASP 163 CO -0.00 0.00 -0.43 0.40 -1.72 0.00 0.00 179.24 177.49 2jiq h ILE 164 N 0.00 1.31 0.00 0.35 2.04 -1.41 -2.36 117.51 117.44 2jiq h ILE 164 Ca 0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2jiq h ILE 164 Cb 0.48 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2jiq h ILE 164 CO 0.00 0.50 0.00 0.47 0.00 0.00 0.00 178.15 179.12 2jiq n ASP 165 N -4.01 0.00 0.00 1.72 8.00 -0.74 -3.49 116.55 118.02 2jiq n ASP 165 Ca -0.02 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.80 2jiq n ASP 165 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2jiq n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jiq n GLN 166 N -0.89 0.89 -1.93 -1.24 6.02 -1.00 -5.05 117.38 114.18 2jiq n GLN 166 Ca 0.11 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2jiq n GLN 166 Cb 0.05 -0.06 -0.01 0.00 1.02 0.00 0.00 30.24 31.24 2jiq n GLN 166 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jiq s ALA 167 N -0.13 3.52 -0.52 -1.58 0.00 -0.92 -4.61 121.76 117.53 2jiq s ALA 167 Ca 0.00 1.44 0.12 0.00 0.00 0.00 0.00 51.96 53.52 2jiq s ALA 167 Cb 0.00 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 2jiq s ALA 167 CO 0.00 -0.90 0.49 0.25 0.00 0.00 0.00 175.76 175.61 2jiq n THR 168 N 0.55 0.00 -4.57 0.00 -2.24 0.16 -4.93 114.28 103.25 2jiq n THR 168 Ca 0.01 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 2jiq n THR 168 Cb 0.40 0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 2jiq n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jiq s PHE 170 N 0.20 2.80 -0.61 0.00 0.08 -0.08 -0.74 117.98 119.63 2jiq s PHE 170 Ca -0.05 -1.03 -0.09 0.00 0.12 0.00 0.00 56.93 55.89 2jiq s PHE 170 Cb -0.11 -1.91 0.16 0.00 -0.57 0.00 0.00 43.02 40.59 2jiq s PHE 170 CO 0.01 -0.48 0.49 0.12 -0.10 0.00 0.00 175.22 175.27 2jiq s PHE 171 N 0.87 3.51 -0.44 0.36 5.36 0.81 -0.37 117.98 128.08 2jiq s PHE 171 Ca -0.04 -2.15 -0.17 0.00 -0.96 0.00 0.00 56.93 53.61 2jiq s PHE 171 Cb -0.15 -3.50 0.03 0.00 -0.34 0.00 0.00 43.02 39.06 2jiq s PHE 171 CO -0.01 -0.95 0.46 0.42 -1.46 0.00 0.00 175.22 173.68 2jiq s ILE 172 N 0.62 5.08 -0.04 3.12 1.01 0.87 -0.67 121.20 131.19 2jiq s ILE 172 Ca 0.12 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2jiq s ILE 172 Cb -0.20 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 2jiq s ILE 172 CO -0.04 -0.50 -0.16 -0.51 0.00 0.00 0.00 174.94 173.73 2jiq s ILE 173 N 2.14 1.32 -1.37 2.92 2.07 0.39 0.39 121.20 129.07 2jiq s ILE 173 Ca 0.11 -0.66 -0.07 0.00 -1.41 0.00 0.00 60.65 58.61 2jiq s ILE 173 Cb -0.18 -1.14 0.03 0.00 0.13 0.00 0.00 42.46 41.30 2jiq s ILE 173 CO 0.12 0.38 1.05 0.61 -1.91 0.00 0.00 174.94 175.20 2jiq n GLY 174 N 3.11 -0.47 3.38 1.50 0.00 -0.71 -3.31 105.19 108.69 2jiq n GLY 174 Ca -0.18 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 2jiq n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jiq s SER 175 N -3.63 -0.51 -1.06 1.61 0.15 -1.26 -1.06 113.70 107.93 2jiq s SER 175 Ca 0.43 1.16 -0.08 0.00 0.70 0.00 0.00 55.95 58.16 2jiq s SER 175 Cb -0.20 1.60 0.26 0.00 -1.71 0.00 0.00 66.02 65.98 2jiq s SER 175 CO 0.76 -0.23 1.03 0.21 1.20 0.00 0.00 173.24 176.22 2jiq s ASN 176 N 2.66 7.03 0.13 5.45 2.47 -1.26 -4.91 114.94 126.50 2jiq s ASN 176 Ca -0.03 -3.61 -0.11 0.00 0.42 0.00 0.00 52.86 49.53 2jiq s ASN 176 Cb -0.12 -2.14 -0.09 0.00 -1.45 0.00 0.00 41.25 37.45 2jiq s ASN 176 CO -0.15 -0.27 1.39 0.74 -3.72 0.00 0.00 177.10 175.09 2jiq h THR 177 N 3.77 1.28 -0.91 -5.21 2.02 -1.96 0.29 112.91 112.20 2jiq h THR 177 Ca 0.17 -1.81 0.26 0.00 0.77 0.00 0.00 66.41 65.80 2jiq h THR 177 Cb 0.86 1.74 -0.15 0.00 -1.74 0.00 0.00 68.15 68.87 2jiq h THR 177 CO 0.98 0.58 0.27 -1.28 0.37 0.00 0.00 175.52 176.44 2jiq h SER 178 N 0.61 0.03 0.00 4.18 0.87 -1.91 0.69 113.55 118.03 2jiq h SER 178 Ca -0.01 0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.61 2jiq h SER 178 Cb 1.23 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 63.43 2jiq h SER 178 CO 0.13 -0.18 -1.94 -0.62 -0.53 0.00 0.00 176.83 173.69 2jiq n GLU 179 N -5.23 0.97 -0.04 2.24 1.02 -0.76 -4.13 120.64 114.71 2jiq n GLU 179 Ca 0.23 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 2jiq n GLU 179 Cb 0.75 -1.41 -0.14 0.00 -0.02 0.00 0.00 31.44 30.62 2jiq n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jiq n ALA 180 N -2.34 1.32 -3.18 0.62 0.00 0.95 -4.34 120.51 113.54 2jiq n ALA 180 Ca -0.15 -0.85 -0.21 0.00 0.00 0.00 0.00 53.44 52.23 2jiq n ALA 180 Cb 0.73 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 2jiq n ALA 180 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jiq n HIS 181 N -3.14 0.53 -0.25 0.00 8.25 0.22 -4.86 115.22 115.98 2jiq n HIS 181 Ca -0.27 -3.77 -0.05 0.00 -0.26 0.00 0.00 57.72 53.38 2jiq n HIS 181 Cb 1.06 -0.41 0.06 0.00 1.12 0.00 0.00 29.99 31.82 2jiq n HIS 181 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2jiq h PRO 182 N 3.41 0.90 0.00 -0.41 0.11 -1.69 0.22 132.00 134.53 2jiq h PRO 182 Ca 0.10 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2jiq h PRO 182 Cb 0.88 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 2jiq h PRO 182 CO 0.53 0.60 -0.03 0.28 -0.21 0.00 0.00 178.00 179.17 2jiq h VAL 183 N 0.93 0.07 0.05 3.15 2.07 -1.91 -2.35 116.25 118.26 2jiq h VAL 183 Ca 0.26 -0.83 -0.26 0.00 0.82 0.00 0.00 66.70 66.68 2jiq h VAL 183 Cb -0.09 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2jiq h VAL 183 CO -0.06 0.03 -1.33 0.25 0.02 0.00 0.00 177.57 176.49 2jiq h LEU 184 N 0.00 0.15 -1.72 2.57 6.46 -1.56 -3.02 115.31 118.20 2jiq h LEU 184 Ca -0.00 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 2jiq h LEU 184 Cb 0.78 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2jiq h LEU 184 CO 0.00 1.16 0.15 0.15 -0.62 0.00 0.00 178.44 179.29 2jiq h PHE 185 N 0.03 0.33 -0.07 1.25 3.57 -0.39 -2.48 116.94 119.18 2jiq h PHE 185 Ca -0.15 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.17 2jiq h PHE 185 Cb 1.91 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 2jiq h PHE 185 CO 0.02 0.22 -0.74 -0.09 -2.23 0.00 0.00 178.31 175.49 2jiq h ARG 186 N 0.35 0.38 -0.63 1.11 9.65 -1.45 -1.25 114.38 122.54 2jiq h ARG 186 Ca 0.09 -0.32 -0.08 0.00 -1.10 0.00 0.00 59.98 58.58 2jiq h ARG 186 Cb -0.01 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2jiq h ARG 186 CO -0.02 0.96 0.09 -0.09 2.80 0.00 0.00 179.97 183.71 2jiq h ARG 187 N 0.26 1.05 0.09 0.20 2.43 -1.36 0.59 114.38 117.64 2jiq h ARG 187 Ca -0.03 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2jiq h ARG 187 Cb 1.32 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jiq h ARG 187 CO 0.13 0.98 -0.04 0.82 -1.51 0.00 0.00 179.97 180.35 2jiq h ILE 188 N 0.96 0.99 -0.33 1.20 2.04 -1.41 -0.96 117.51 120.00 2jiq h ILE 188 Ca 0.19 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2jiq h ILE 188 Cb 0.45 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2jiq h ILE 188 CO 0.02 0.06 0.20 0.00 0.00 0.00 0.00 178.15 178.42 2jiq h ALA 189 N 0.67 0.41 -0.78 1.87 0.00 -1.19 -2.07 119.26 118.18 2jiq h ALA 189 Ca -0.01 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2jiq h ALA 189 Cb 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2jiq h ALA 189 CO 0.02 -0.16 0.51 -0.09 0.00 0.00 0.00 179.25 179.53 2jiq h ARG 190 N 0.40 0.56 0.19 0.00 2.43 0.24 -2.17 114.38 116.03 2jiq h ARG 190 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2jiq h ARG 190 Cb -0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2jiq h ARG 190 CO -0.06 0.37 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.59 2jiq h ARG 191 N 0.57 -0.25 -0.06 0.20 9.65 -0.66 -1.08 114.38 122.75 2jiq h ARG 191 Ca 0.38 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.29 2jiq h ARG 191 Cb 0.66 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2jiq h ARG 191 CO -0.14 -0.04 0.08 -0.22 2.80 0.00 0.00 179.97 182.44 2jiq h LYS 192 N -0.42 0.00 0.16 0.20 3.64 -1.22 -0.80 116.57 118.13 2jiq h LYS 192 Ca -0.03 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 2jiq h LYS 192 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jiq h LYS 192 CO 0.04 0.00 -1.77 0.37 -2.27 0.00 0.00 179.45 175.82 2jiq h GLN 193 N 0.00 0.34 -0.06 1.90 4.15 -1.21 -2.79 115.11 117.43 2jiq h GLN 193 Ca 0.03 -0.58 -0.11 0.00 0.77 0.00 0.00 58.65 58.76 2jiq h GLN 193 Cb 0.18 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2jiq h GLN 193 CO -0.00 1.25 -0.46 -0.39 -1.93 0.00 0.00 178.83 177.30 2jiq h VAL 194 N 0.09 1.33 -2.98 2.39 -1.51 -0.81 -3.39 116.25 111.39 2jiq h VAL 194 Ca -0.35 -1.64 -0.59 0.00 -1.23 0.00 0.00 66.70 62.89 2jiq h VAL 194 Cb 2.08 1.81 -0.40 0.00 -2.13 0.00 0.00 31.29 32.64 2jiq h VAL 194 CO 0.16 0.48 -0.76 -0.70 -1.23 0.00 0.00 177.57 175.51 2jiq s GLU 195 N -4.01 0.90 0.48 5.19 2.56 -0.34 -5.01 118.70 118.47 2jiq s GLU 195 Ca -0.04 -1.48 0.32 0.00 0.00 0.00 0.00 54.97 53.77 2jiq s GLU 195 Cb 0.13 -1.98 1.44 0.00 2.00 0.00 0.00 34.13 35.72 2jiq s GLU 195 CO 0.77 -1.10 1.96 -1.35 -0.56 0.00 0.00 175.26 174.97 2jiq h PRO 196 N 7.36 0.00 0.00 4.30 0.11 -1.69 -2.08 132.00 139.99 2jiq h PRO 196 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2jiq h PRO 196 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2jiq h PRO 196 CO 0.44 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.01 2jiq h GLY 197 N 1.58 0.00 -5.15 -0.55 0.00 -1.95 -3.45 103.07 93.55 2jiq h GLY 197 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2jiq h GLY 197 CO 0.00 0.00 0.77 -0.62 0.00 0.00 0.00 176.54 176.69 2jiq n VAL 198 N -2.42 0.06 -4.01 4.60 0.31 -0.78 -4.98 118.33 111.11 2jiq n VAL 198 Ca 0.01 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 63.96 2jiq n VAL 198 Cb 0.18 -1.44 -0.07 0.00 -0.91 0.00 0.00 33.84 31.60 2jiq n VAL 198 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jiq s LYS 199 N 1.17 3.32 -0.13 5.55 1.02 -0.16 -4.97 119.74 125.54 2jiq s LYS 199 Ca 0.81 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.60 2jiq s LYS 199 Cb -0.73 -3.09 0.02 0.00 -0.52 0.00 0.00 37.83 33.51 2jiq s LYS 199 CO 0.41 0.76 -0.12 0.42 -0.92 0.00 0.00 175.35 175.90 2jiq s ILE 200 N -1.00 1.35 -0.27 2.17 -1.09 -1.26 -0.90 121.20 120.19 2jiq s ILE 200 Ca 0.15 -0.50 -0.07 0.00 -2.23 0.00 0.00 60.65 58.00 2jiq s ILE 200 Cb -0.12 -1.29 -0.01 0.00 -1.58 0.00 0.00 42.46 39.46 2jiq s ILE 200 CO 0.04 0.42 0.07 -0.63 -1.23 0.00 0.00 174.94 173.61 2jiq s ILE 201 N 1.50 4.12 -0.28 2.92 -1.09 0.50 -0.19 121.20 128.67 2jiq s ILE 201 Ca 0.03 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.91 2jiq s ILE 201 Cb -0.13 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2jiq s ILE 201 CO -0.08 0.21 0.15 -0.69 -1.23 0.00 0.00 174.94 173.29 2jiq s VAL 202 N 1.56 4.80 -0.43 2.92 1.01 -0.17 -0.09 120.40 129.98 2jiq s VAL 202 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2jiq s VAL 202 Cb -0.16 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.00 2jiq s VAL 202 CO 0.03 0.21 0.26 0.00 0.00 0.00 0.00 175.10 175.60 2jiq s ALA 203 N 1.67 3.26 -0.28 5.51 0.00 0.16 -0.90 121.76 131.18 2jiq s ALA 203 Ca 0.06 -2.51 -0.15 0.00 0.00 0.00 0.00 51.96 49.36 2jiq s ALA 203 Cb -0.16 -2.60 0.10 0.00 0.00 0.00 0.00 23.12 20.46 2jiq s ALA 203 CO 0.07 -1.83 0.74 0.34 0.00 0.00 0.00 175.76 175.09 2jiq s ASP 204 N 2.20 -0.88 0.53 0.00 -1.08 -0.65 -1.73 116.67 115.06 2jiq s ASP 204 Ca 0.07 1.38 0.24 0.00 -0.52 0.00 0.00 52.55 53.72 2jiq s ASP 204 Cb -0.24 1.46 1.39 0.00 -1.46 0.00 0.00 42.92 44.07 2jiq s ASP 204 CO -0.02 -0.21 2.02 -0.65 0.52 0.00 0.00 175.17 176.83 2jiq h PRO 205 N 6.94 0.00 -6.05 4.34 0.11 -1.77 -3.36 132.00 132.22 2jiq h PRO 205 Ca -0.28 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.23 2jiq h PRO 205 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2jiq h PRO 205 CO 0.16 0.00 -0.29 1.03 -0.21 0.00 0.00 178.00 178.69 2jiq s ARG 206 N -5.00 3.71 -0.75 1.05 0.52 -1.26 -2.59 118.95 114.63 2jiq s ARG 206 Ca -0.05 0.10 -0.18 0.00 -0.52 0.00 0.00 55.73 55.08 2jiq s ARG 206 Cb 0.19 -3.02 0.14 0.00 0.52 0.00 0.00 34.95 32.77 2jiq s ARG 206 CO 0.71 0.59 0.86 0.50 0.02 0.00 0.00 175.30 177.98 2jiq s ARG 207 N -1.86 3.34 0.47 3.54 3.52 0.24 -4.99 118.95 123.21 2jiq s ARG 207 Ca 0.31 -1.69 0.07 0.00 -0.13 0.00 0.00 55.73 54.29 2jiq s ARG 207 Cb -0.14 -4.50 0.01 0.00 -1.56 0.00 0.00 34.95 28.76 2jiq s ARG 207 CO 0.17 -1.57 0.43 0.95 -0.81 0.00 0.00 175.30 174.48 2jiq s THR 208 N 2.17 2.36 -0.21 4.11 -4.23 -1.26 -4.56 115.64 114.02 2jiq s THR 208 Ca 0.20 -1.34 0.24 0.00 -1.18 0.00 0.00 61.69 59.61 2jiq s THR 208 Cb -0.15 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.24 2jiq s THR 208 CO -0.02 0.00 1.73 -1.13 -0.54 0.00 0.00 174.62 174.66 2jiq h ASN 209 N 0.86 0.00 0.11 3.99 -0.73 -1.99 -1.73 115.58 116.08 2jiq h ASN 209 Ca -0.39 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 57.70 2jiq h ASN 209 Cb 1.28 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 2jiq h ASN 209 CO 0.55 0.00 -0.27 0.74 -0.37 0.00 0.00 177.43 178.08 2jiq h THR 210 N 0.00 1.25 0.00 -3.57 2.02 -1.94 -2.41 112.91 108.26 2jiq h THR 210 Ca 0.00 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2jiq h THR 210 Cb 0.11 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2jiq h THR 210 CO 0.00 0.37 0.00 -1.54 0.37 0.00 0.00 175.52 174.72 2jiq n SER 211 N -4.14 0.26 -0.02 4.18 3.41 -0.65 -3.31 113.62 113.35 2jiq n SER 211 Ca -0.01 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 2jiq n SER 211 Cb 0.39 -0.61 0.69 0.00 -0.26 0.00 0.00 64.21 64.41 2jiq n SER 211 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jiq n ARG 212 N -1.77 0.36 0.00 4.33 3.00 -0.91 -1.85 116.66 119.82 2jiq n ARG 212 Ca 0.04 -0.03 0.06 0.00 -0.01 0.00 0.00 57.85 57.91 2jiq n ARG 212 Cb 0.24 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.25 2jiq n ARG 212 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2jiq n ILE 213 N -1.29 0.00 -2.66 0.55 -5.35 -1.21 -5.05 119.36 104.35 2jiq n ILE 213 Ca 0.12 -0.49 -0.37 0.00 -0.27 0.00 0.00 62.75 61.75 2jiq n ILE 213 Cb 0.27 1.24 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 2jiq n ILE 213 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jiq s ALA 214 N -1.08 3.18 -0.23 -1.28 0.00 -0.77 -4.74 121.76 116.84 2jiq s ALA 214 Ca 0.14 0.63 0.17 0.00 0.00 0.00 0.00 51.96 52.90 2jiq s ALA 214 Cb 0.10 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 20.12 2jiq s ALA 214 CO 0.17 -0.01 1.48 -0.44 0.00 0.00 0.00 175.76 176.95 2jiq h ASP 215 N 2.97 0.00 -3.11 0.00 3.32 -0.88 -3.45 116.42 115.27 2jiq h ASP 215 Ca -0.47 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.34 2jiq h ASP 215 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 2jiq h ASP 215 CO 0.64 0.36 -0.56 -0.32 -1.72 0.00 0.00 179.24 177.64 2jiq s MET 216 N -3.03 0.11 -0.41 3.56 1.75 -1.05 -5.03 119.30 115.21 2jiq s MET 216 Ca 0.05 0.59 -0.08 0.00 -1.25 0.00 0.00 55.69 54.99 2jiq s MET 216 Cb 0.07 -0.15 0.08 0.00 2.84 0.00 0.00 34.83 37.67 2jiq s MET 216 CO 0.73 -0.25 0.25 -1.58 -0.65 0.00 0.00 175.02 173.51 2jiq s HIS 217 N 1.97 3.35 -0.76 4.11 2.46 -1.26 -1.00 115.29 124.16 2jiq s HIS 217 Ca -0.02 -1.60 -0.26 0.00 0.47 0.00 0.00 55.06 53.66 2jiq s HIS 217 Cb -0.12 -2.94 0.04 0.00 -0.13 0.00 0.00 32.58 29.43 2jiq s HIS 217 CO -0.07 -0.85 1.25 0.08 -2.47 0.00 0.00 174.74 172.67 2jiq s VAL 218 N 1.40 3.84 -1.17 0.89 1.01 -0.08 -4.96 120.40 121.32 2jiq s VAL 218 Ca 0.03 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 2jiq s VAL 218 Cb -0.23 -4.90 0.23 0.00 0.00 0.00 0.00 36.38 31.48 2jiq s VAL 218 CO 0.02 -1.81 2.08 0.00 0.00 0.00 0.00 175.10 175.39 2jiq n ALA 219 N 9.06 6.40 -1.75 5.51 0.00 -1.26 -1.64 120.51 136.83 2jiq n ALA 219 Ca 0.05 -4.37 -0.35 0.00 0.00 0.00 0.00 53.44 48.77 2jiq n ALA 219 Cb 0.49 -2.47 0.02 0.00 0.00 0.00 0.00 19.45 17.48 2jiq n ALA 219 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jiq s PHE 220 N -2.78 2.51 0.12 0.00 -0.12 -1.26 -4.75 117.98 111.71 2jiq s PHE 220 Ca 0.46 1.53 -0.35 0.00 -0.05 0.00 0.00 56.93 58.51 2jiq s PHE 220 Cb 0.18 -3.39 -0.16 0.00 -0.63 0.00 0.00 43.02 39.03 2jiq s PHE 220 CO -0.11 -1.92 1.40 -2.13 -0.05 0.00 0.00 175.22 172.40 2jiq n ARG 221 N -1.49 1.46 -1.58 1.99 0.63 0.11 -4.12 116.66 113.65 2jiq n ARG 221 Ca 0.13 0.53 -0.51 0.00 -0.92 0.00 0.00 57.85 57.07 2jiq n ARG 221 Cb 0.50 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 31.17 2jiq n ARG 221 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2jiq n PRO 222 N 2.70 1.14 -0.02 -0.14 -0.02 -1.26 -2.59 135.00 134.80 2jiq n PRO 222 Ca 0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2jiq n PRO 222 Cb 0.23 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2jiq n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jiq n GLY 223 N 2.33 0.81 1.29 -1.23 0.00 -1.26 -4.87 105.19 102.26 2jiq n GLY 223 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 2jiq n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jiq n THR 224 N -2.00 1.36 0.22 2.61 -2.24 -1.07 -4.45 114.28 108.71 2jiq n THR 224 Ca 0.00 -1.11 0.08 0.00 -2.27 0.00 0.00 64.05 60.75 2jiq n THR 224 Cb 0.00 0.33 0.47 0.00 -2.10 0.00 0.00 70.33 69.03 2jiq n THR 224 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jiq h ASP 225 N 3.69 0.00 -0.44 3.42 3.04 -1.92 -2.15 116.42 122.07 2jiq h ASP 225 Ca 0.00 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.68 2jiq h ASP 225 Cb 1.13 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.41 2jiq h ASP 225 CO 0.09 0.27 -0.14 -0.07 -2.04 0.00 0.00 179.24 177.35 2jiq h LEU 226 N 0.00 0.88 -0.01 0.15 4.07 -1.95 -0.39 115.31 118.06 2jiq h LEU 226 Ca -0.00 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.58 2jiq h LEU 226 Cb 0.70 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 2jiq h LEU 226 CO 0.03 1.06 0.00 0.00 -1.08 0.00 0.00 178.44 178.46 2jiq h ALA 227 N 0.85 0.02 -0.63 1.53 0.00 -1.83 -0.86 119.26 118.34 2jiq h ALA 227 Ca 0.11 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2jiq h ALA 227 Cb 0.69 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 2jiq h ALA 227 CO 0.05 -0.39 -0.09 0.35 0.00 0.00 0.00 179.25 179.17 2jiq h PHE 228 N -0.15 -0.21 0.00 0.00 3.57 -1.37 0.87 116.94 119.65 2jiq h PHE 228 Ca 0.00 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2jiq h PHE 228 Cb 0.18 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2jiq h PHE 228 CO -0.02 -0.23 -0.50 0.52 -2.23 0.00 0.00 178.31 175.85 2jiq h MET 229 N 0.04 0.00 -0.36 1.11 2.86 -1.00 -0.72 114.93 116.86 2jiq h MET 229 Ca 0.31 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.83 2jiq h MET 229 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2jiq h MET 229 CO -0.60 0.50 -0.24 0.45 1.06 0.00 0.00 176.91 178.07 2jiq h HIS 230 N 0.00 0.94 -0.92 -0.22 3.86 -0.78 -2.87 115.15 115.16 2jiq h HIS 230 Ca -0.01 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 58.96 2jiq h HIS 230 Cb 1.15 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 29.37 2jiq h HIS 230 CO 0.00 1.02 0.61 1.03 0.86 0.00 0.00 177.93 181.45 2jiq h SER 231 N 0.59 1.05 -0.71 2.45 0.87 -0.43 -1.06 113.55 116.31 2jiq h SER 231 Ca 0.07 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2jiq h SER 231 Cb 0.81 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 2jiq h SER 231 CO 0.07 0.76 0.46 0.24 -0.53 0.00 0.00 176.83 177.82 2jiq h MET 232 N 1.24 0.90 -0.21 2.24 2.86 -1.17 -0.88 114.93 119.91 2jiq h MET 232 Ca 0.34 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2jiq h MET 232 Cb -0.13 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.32 2jiq h MET 232 CO -0.08 0.59 0.14 0.00 1.06 0.00 0.00 176.91 178.62 2jiq h ALA 233 N 1.28 0.26 -0.52 6.32 0.00 -1.17 -1.47 119.26 123.97 2jiq h ALA 233 Ca 0.27 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2jiq h ALA 233 Cb -0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 2jiq h ALA 233 CO -0.08 -0.26 -0.01 2.35 0.00 0.00 0.00 179.25 181.26 2jiq h TRP 234 N 0.28 -0.05 -0.57 0.00 7.01 -0.85 -1.36 115.95 120.42 2jiq h TRP 234 Ca 0.08 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 2jiq h TRP 234 Cb -0.03 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 2jiq h TRP 234 CO -0.06 -0.13 0.28 0.28 -2.79 0.00 0.00 178.44 176.02 2jiq h VAL 235 N 0.11 1.20 -0.60 2.65 2.07 -0.82 0.40 116.25 121.27 2jiq h VAL 235 Ca 0.26 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jiq h VAL 235 Cb 0.41 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2jiq h VAL 235 CO -0.44 0.22 0.36 0.40 0.02 0.00 0.00 177.57 178.13 2jiq h ILE 236 N 0.76 1.18 0.06 4.57 2.04 -0.88 0.16 117.51 125.41 2jiq h ILE 236 Ca 0.20 -0.40 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 2jiq h ILE 236 Cb 0.10 0.36 0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2jiq h ILE 236 CO -0.03 0.18 -0.68 0.40 0.00 0.00 0.00 178.15 178.03 2jiq h ILE 237 N 0.81 1.48 -0.65 -0.67 2.04 -1.14 0.22 117.51 119.59 2jiq h ILE 237 Ca 0.21 -2.28 0.14 0.00 1.00 0.00 0.00 64.86 63.93 2jiq h ILE 237 Cb -0.02 2.88 -0.11 0.00 -0.74 0.00 0.00 36.82 38.84 2jiq h ILE 237 CO -0.04 0.65 0.04 -1.13 0.00 0.00 0.00 178.15 177.67 2jiq h ASN 238 N -0.25 -0.22 -0.54 1.72 -0.73 -0.03 -2.37 115.58 113.17 2jiq h ASN 238 Ca -0.10 0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2jiq h ASN 238 Cb 1.44 0.26 0.00 0.00 0.27 0.00 0.00 38.32 40.29 2jiq h ASN 238 CO 0.13 -0.10 0.00 -0.62 -0.37 0.00 0.00 177.43 176.47 2jiq n GLU 239 N -5.26 2.65 -3.22 6.67 1.02 0.03 -4.93 120.64 117.61 2jiq n GLU 239 Ca 0.10 -2.10 -0.16 0.00 -0.02 0.00 0.00 57.16 54.99 2jiq n GLU 239 Cb 0.38 -1.57 0.07 0.00 -0.02 0.00 0.00 31.44 30.30 2jiq n GLU 239 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jiq n GLU 240 N 1.00 -5.59 -0.14 3.49 1.02 -0.89 -4.93 120.64 114.60 2jiq n GLU 240 Ca 0.19 0.65 0.07 0.00 -0.02 0.00 0.00 57.16 58.05 2jiq n GLU 240 Cb 0.58 -5.10 0.14 0.00 -0.02 0.00 0.00 31.44 27.05 2jiq n GLU 240 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jiq n LEU 241 N -3.67 2.81 -4.88 -4.62 4.77 0.74 -5.00 117.00 107.15 2jiq n LEU 241 Ca -0.11 -1.59 -0.29 0.00 -0.03 0.00 0.00 56.01 53.98 2jiq n LEU 241 Cb 0.59 -0.18 0.14 0.00 -2.33 0.00 0.00 43.42 41.65 2jiq n LEU 241 CO 0.48 0.64 0.80 1.51 -1.33 0.00 0.00 177.39 179.50 2jiq s ASP 242 N -1.09 3.58 -0.72 -1.43 -4.77 -1.21 -4.85 116.67 106.19 2jiq s ASP 242 Ca 0.25 0.59 0.05 0.00 -3.30 0.00 0.00 52.55 50.13 2jiq s ASP 242 Cb 0.14 -0.90 0.18 0.00 -1.09 0.00 0.00 42.92 41.26 2jiq s ASP 242 CO 0.20 -2.47 0.56 -3.20 0.70 0.00 0.00 175.17 170.95 2jiq n ASN 243 N -3.65 3.24 -0.01 2.11 2.85 -0.45 -4.95 115.26 114.40 2jiq n ASN 243 Ca 0.11 -3.24 0.03 0.00 -0.11 0.00 0.00 54.58 51.37 2jiq n ASN 243 Cb 0.60 -0.77 0.38 0.00 1.24 0.00 0.00 39.78 41.23 2jiq n ASN 243 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2jiq h PRO 244 N 5.27 0.56 -0.75 1.20 0.13 -1.96 0.01 132.00 136.46 2jiq h PRO 244 Ca 0.16 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 65.34 2jiq h PRO 244 Cb 0.74 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 2jiq h PRO 244 CO 0.75 0.42 0.49 0.00 -0.23 0.00 0.00 178.00 179.43 2jiq h ARG 245 N 0.57 0.59 0.00 0.86 2.47 -1.98 0.22 114.38 117.10 2jiq h ARG 245 Ca 0.15 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2jiq h ARG 245 Cb 0.03 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.21 2jiq h ARG 245 CO -0.02 0.39 -0.13 0.35 0.56 0.00 0.00 179.97 181.12 2jiq h PHE 246 N 0.61 0.00 0.00 3.04 3.57 -1.45 -3.29 116.94 119.42 2jiq h PHE 246 Ca 0.35 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 2jiq h PHE 246 Cb 0.55 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2jiq h PHE 246 CO -0.00 0.19 -0.00 0.11 -2.23 0.00 0.00 178.31 176.38 2jiq h TRP 247 N -1.00 0.00 -0.11 0.41 5.08 -1.12 0.20 115.95 119.41 2jiq h TRP 247 Ca -0.01 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.74 2jiq h TRP 247 Cb 0.27 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.43 2jiq h TRP 247 CO 0.01 0.00 -0.80 1.96 -1.28 0.00 0.00 178.44 178.33 2jiq h GLN 248 N 0.00 0.64 0.00 0.12 4.20 -0.75 -2.97 115.11 116.35 2jiq h GLN 248 Ca -0.00 -0.55 -0.14 0.00 0.06 0.00 0.00 58.65 58.02 2jiq h GLN 248 Cb 0.40 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2jiq h GLN 248 CO 0.00 1.16 -1.71 -2.13 -0.67 0.00 0.00 178.83 175.48 2jiq n ARG 249 N -3.88 0.64 0.00 1.46 0.63 -0.95 -4.64 116.66 109.92 2jiq n ARG 249 Ca -0.07 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2jiq n ARG 249 Cb 0.75 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.99 2jiq n ARG 249 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jiq n TYR 250 N -2.66 0.00 -4.23 -0.14 4.01 0.65 -4.90 117.16 109.89 2jiq n TYR 250 Ca -0.11 -0.05 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 2jiq n TYR 250 Cb 0.79 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.69 2jiq n TYR 250 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jiq s VAL 251 N -0.09 1.00 0.25 -0.72 1.01 -1.12 -0.86 120.40 119.87 2jiq s VAL 251 Ca 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 60.98 2jiq s VAL 251 Cb 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2jiq s VAL 251 CO 0.00 -0.14 -0.15 0.20 0.00 0.00 0.00 175.10 175.02 2jiq s ASN 252 N -1.39 3.03 -0.04 3.32 0.01 0.46 -4.78 114.94 115.55 2jiq s ASN 252 Ca -0.01 -1.06 0.05 0.00 -0.71 0.00 0.00 52.86 51.12 2jiq s ASN 252 Cb -0.09 -0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 2jiq s ASN 252 CO 0.01 -0.12 -0.18 -0.36 -1.51 0.00 0.00 177.10 174.94 2jiq s PHE 253 N -2.79 1.78 -0.07 2.20 0.08 -1.26 -0.21 117.98 117.71 2jiq s PHE 253 Ca 0.27 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2jiq s PHE 253 Cb -0.01 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2jiq s PHE 253 CO 0.11 -0.13 -0.14 -1.64 -0.10 0.00 0.00 175.22 173.32 2jiq s MET 254 N -0.11 1.87 0.07 0.44 -1.94 -0.47 -0.24 119.30 118.93 2jiq s MET 254 Ca -0.01 -0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.49 2jiq s MET 254 Cb -0.11 -1.54 0.02 0.00 2.01 0.00 0.00 34.83 35.21 2jiq s MET 254 CO 0.02 0.03 0.09 -0.40 -0.01 0.00 0.00 175.02 174.74 2jiq n ASP 255 N 3.85 -0.11 -0.03 3.03 5.68 0.18 -1.13 116.55 128.03 2jiq n ASP 255 Ca -0.22 -0.98 -0.02 0.00 -0.50 0.00 0.00 54.79 53.07 2jiq n ASP 255 Cb 0.52 -0.07 0.23 0.00 -1.14 0.00 0.00 41.12 40.65 2jiq n ASP 255 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jiq h ALA 256 N -1.99 1.21 -0.11 2.12 0.00 -1.88 -1.09 119.26 117.51 2jiq h ALA 256 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jiq h ALA 256 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jiq h ALA 256 CO 0.02 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.17 2jiq n GLU 257 N -4.21 1.53 -2.21 0.00 -0.58 -1.26 -4.81 120.64 109.10 2jiq n GLU 257 Ca 0.01 -0.50 -0.17 0.00 -0.42 0.00 0.00 57.16 56.08 2jiq n GLU 257 Cb 0.31 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 2jiq n GLU 257 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jiq n GLY 258 N 0.30 -0.06 3.75 0.62 0.00 -0.41 -5.02 105.19 104.37 2jiq n GLY 258 Ca 0.04 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2jiq n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jiq s LYS 259 N -4.66 2.77 0.31 1.61 -0.14 -1.26 -4.76 119.74 113.61 2jiq s LYS 259 Ca 0.00 -0.76 -0.27 0.00 -1.36 0.00 0.00 55.97 53.58 2jiq s LYS 259 Cb 0.00 -2.65 -0.14 0.00 -1.68 0.00 0.00 37.83 33.36 2jiq s LYS 259 CO 0.00 0.55 0.94 -2.30 -0.76 0.00 0.00 175.35 173.78 2jiq n PRO 260 N 0.42 1.20 0.00 -1.68 -0.02 -1.26 -0.65 135.00 133.01 2jiq n PRO 260 Ca -0.09 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2jiq n PRO 260 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2jiq n PRO 260 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jiq n SER 261 N 1.19 0.00 -2.90 2.55 2.88 0.67 -4.71 113.62 113.31 2jiq n SER 261 Ca 0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.53 2jiq n SER 261 Cb 0.33 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.80 2jiq n SER 261 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2jiq s ASP 262 N 1.03 0.33 0.36 -3.46 1.47 -1.26 -4.42 116.67 110.72 2jiq s ASP 262 Ca 0.00 -1.31 0.09 0.00 1.18 0.00 0.00 52.55 52.51 2jiq s ASP 262 Cb 0.00 0.82 0.81 0.00 -0.34 0.00 0.00 42.92 44.21 2jiq s ASP 262 CO 0.00 -1.62 1.89 0.15 0.68 0.00 0.00 175.17 176.27 2jiq h PHE 263 N 2.02 0.79 -0.08 2.11 3.57 -1.99 -1.08 116.94 122.28 2jiq h PHE 263 Ca -0.32 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 60.96 2jiq h PHE 263 Cb 1.25 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 39.75 2jiq h PHE 263 CO 1.54 0.32 -0.91 0.93 -2.23 0.00 0.00 178.31 177.96 2jiq h GLU 264 N 0.69 0.76 -0.91 1.11 4.39 -1.98 0.23 114.58 118.87 2jiq h GLU 264 Ca 0.42 -0.70 0.08 0.00 0.34 0.00 0.00 59.36 59.49 2jiq h GLU 264 Cb 0.64 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.39 2jiq h GLU 264 CO -0.18 1.29 0.56 0.78 -1.16 0.00 0.00 179.01 180.31 2jiq h GLY 265 N 0.49 1.40 0.72 -3.84 0.00 -1.85 0.14 103.07 100.14 2jiq h GLY 265 Ca -0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2jiq h GLY 265 CO 0.18 0.24 -0.20 -1.82 0.00 0.00 0.00 176.54 174.94 2jiq h TYR 266 N 0.99 -0.51 -0.89 5.60 3.20 -0.70 -1.75 116.97 122.91 2jiq h TYR 266 Ca 0.41 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.51 2jiq h TYR 266 Cb 0.26 0.17 -0.14 0.00 1.54 0.00 0.00 36.73 38.56 2jiq h TYR 266 CO -0.03 -0.19 0.33 0.87 -1.64 0.00 0.00 178.16 177.50 2jiq h LYS 267 N -0.83 0.28 -0.16 1.82 1.57 -0.36 -1.38 116.57 117.50 2jiq h LYS 267 Ca -0.06 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 2jiq h LYS 267 Cb 0.55 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2jiq h LYS 267 CO 0.09 0.18 -0.64 0.00 -0.57 0.00 0.00 179.45 178.51 2jiq h ALA 268 N 1.76 0.57 -0.55 3.86 0.00 -0.64 -2.89 119.26 121.37 2jiq h ALA 268 Ca 0.57 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2jiq h ALA 268 Cb 1.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2jiq h ALA 268 CO -0.60 0.71 0.08 0.35 0.00 0.00 0.00 179.25 179.79 2jiq h PHE 269 N 0.44 0.98 0.00 0.00 3.57 -0.69 -3.08 116.94 118.16 2jiq h PHE 269 Ca -0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2jiq h PHE 269 Cb 1.22 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2jiq h PHE 269 CO 0.06 0.87 0.00 -0.07 -2.23 0.00 0.00 178.31 176.93 2jiq h LEU 270 N 0.81 0.00 -2.73 0.59 3.38 -1.20 -2.76 115.31 113.40 2jiq h LEU 270 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jiq h LEU 270 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jiq h LEU 270 CO 0.01 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.21 2jiq h GLU 271 N 0.00 0.00 0.00 1.13 4.39 -1.41 -0.27 114.58 118.42 2jiq h GLU 271 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jiq h GLU 271 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2jiq h GLU 271 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 2jiq n ASN 272 N -3.39 0.00 -1.60 1.42 5.03 -1.04 -3.78 115.26 111.90 2jiq n ASN 272 Ca -0.03 -1.17 -0.02 0.00 0.87 0.00 0.00 54.58 54.23 2jiq n ASN 272 Cb 0.08 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 38.93 2jiq n ASN 272 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2jiq n TYR 273 N -0.87 0.84 -1.64 3.10 4.01 -0.11 -4.94 117.16 117.55 2jiq n TYR 273 Ca 0.17 -1.50 -0.47 0.00 -0.16 0.00 0.00 57.90 55.94 2jiq n TYR 273 Cb 0.08 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 38.83 2jiq n TYR 273 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jiq n ARG 274 N -0.48 1.76 -0.33 -0.72 1.74 -1.25 -3.97 116.66 113.42 2jiq n ARG 274 Ca 0.18 0.63 0.28 0.00 -0.77 0.00 0.00 57.85 58.17 2jiq n ARG 274 Cb 0.90 -2.27 0.53 0.00 -1.02 0.00 0.00 32.46 30.60 2jiq n ARG 274 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2jiq h PRO 275 N 4.34 0.13 -0.05 5.56 0.11 -1.95 -1.92 132.00 138.21 2jiq h PRO 275 Ca -0.45 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 2jiq h PRO 275 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2jiq h PRO 275 CO 0.77 0.09 -0.78 0.93 -0.21 0.00 0.00 178.00 178.80 2jiq h GLU 276 N 0.14 0.36 0.41 1.05 3.07 -1.92 -1.08 114.58 116.60 2jiq h GLU 276 Ca 0.79 -0.32 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 2jiq h GLU 276 Cb 1.96 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.95 2jiq h GLU 276 CO -0.71 0.97 -0.20 -0.22 -1.40 0.00 0.00 179.01 177.46 2jiq h LYS 277 N 0.23 -0.53 -0.02 2.33 3.64 -1.82 -3.29 116.57 117.11 2jiq h LYS 277 Ca -0.04 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2jiq h LYS 277 Cb 1.37 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2jiq h LYS 277 CO 0.13 -0.29 -0.39 0.28 -2.27 0.00 0.00 179.45 176.90 2jiq h VAL 278 N -0.67 1.29 -0.67 2.00 2.07 -1.27 -2.44 116.25 116.56 2jiq h VAL 278 Ca -0.06 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2jiq h VAL 278 Cb 0.49 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2jiq h VAL 278 CO 0.09 0.40 0.36 0.00 0.02 0.00 0.00 177.57 178.44 2jiq h ALA 279 N 1.57 0.86 -0.69 1.67 0.00 -1.32 0.95 119.26 122.30 2jiq h ALA 279 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jiq h ALA 279 Cb 0.71 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2jiq h ALA 279 CO 0.05 0.38 0.18 0.93 0.00 0.00 0.00 179.25 180.80 2jiq h GLU 280 N 0.92 1.09 -0.18 0.00 4.39 -1.51 0.86 114.58 120.15 2jiq h GLU 280 Ca 0.24 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2jiq h GLU 280 Cb 0.05 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2jiq h GLU 280 CO -0.04 0.96 0.03 0.82 -1.16 0.00 0.00 179.01 179.62 2jiq h ILE 281 N 1.02 1.22 0.00 3.13 2.04 -1.22 -3.17 117.51 120.53 2jiq h ILE 281 Ca 0.22 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2jiq h ILE 281 Cb 0.35 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2jiq h ILE 281 CO -0.00 0.21 -0.23 0.00 0.00 0.00 0.00 178.15 178.14 2jiq n ARG 283 N -3.20 -3.56 -4.38 0.00 5.12 0.26 0.05 116.66 110.94 2jiq n ARG 283 Ca 0.02 0.38 -0.20 0.00 -1.93 0.00 0.00 57.85 56.12 2jiq n ARG 283 Cb 0.57 -4.03 -0.10 0.00 -1.16 0.00 0.00 32.46 27.73 2jiq n ARG 283 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jiq s VAL 284 N -3.15 1.96 0.30 1.55 -7.23 -0.98 -4.79 120.40 108.06 2jiq s VAL 284 Ca 0.24 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 2jiq s VAL 284 Cb -0.11 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 2jiq s VAL 284 CO 0.33 -0.53 1.27 -2.84 -0.31 0.00 0.00 175.10 173.02 2jiq s PRO 285 N -3.60 4.41 0.36 4.82 0.02 -1.26 -4.60 135.00 135.15 2jiq s PRO 285 Ca 0.25 2.11 0.08 0.00 0.02 0.00 0.00 61.00 63.46 2jiq s PRO 285 Cb -0.02 -3.12 0.80 0.00 0.02 0.00 0.00 34.50 32.18 2jiq s PRO 285 CO 0.09 -0.13 1.90 -0.24 -0.33 0.00 0.00 177.00 178.30 2jiq h VAL 286 N 3.19 0.90 0.00 3.83 3.04 -1.91 -0.26 116.25 125.03 2jiq h VAL 286 Ca -0.48 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2jiq h VAL 286 Cb 1.22 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2jiq h VAL 286 CO 0.68 0.13 -0.01 1.05 -1.01 0.00 0.00 177.57 178.41 2jiq h GLU 287 N 0.70 0.00 -0.61 4.17 9.09 -1.95 -2.41 114.58 123.57 2jiq h GLU 287 Ca 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.80 2jiq h GLU 287 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.64 2jiq h GLU 287 CO -0.16 0.01 0.37 0.37 0.05 0.00 0.00 179.01 179.65 2jiq h GLN 288 N 0.00 0.82 0.02 1.06 4.15 -1.42 -0.51 115.11 119.24 2jiq h GLN 288 Ca -0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2jiq h GLN 288 Cb 0.07 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.59 2jiq h GLN 288 CO 0.00 0.58 -0.01 0.82 -1.93 0.00 0.00 178.83 178.29 2jiq h ILE 289 N 0.84 1.28 -0.60 2.39 2.04 -1.58 -1.80 117.51 120.06 2jiq h ILE 289 Ca 0.22 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2jiq h ILE 289 Cb -0.03 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2jiq h ILE 289 CO -0.04 0.24 0.35 1.88 0.00 0.00 0.00 178.15 180.58 2jiq h TYR 290 N -0.44 0.81 -0.00 1.37 0.05 -1.56 0.76 116.97 117.96 2jiq h TYR 290 Ca -0.00 -0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.59 2jiq h TYR 290 Cb 0.42 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2jiq h TYR 290 CO 0.07 0.57 -0.81 0.78 -1.05 0.00 0.00 178.16 177.72 2jiq h GLY 291 N 0.82 0.12 0.77 3.88 0.00 -1.17 0.69 103.07 108.18 2jiq h GLY 291 Ca 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2jiq h GLY 291 CO -0.04 0.17 -0.22 0.00 0.00 0.00 0.00 176.54 176.45 2jiq h ALA 292 N 1.11 -0.62 0.01 3.60 0.00 -1.22 -1.93 119.26 120.20 2jiq h ALA 292 Ca -0.02 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2jiq h ALA 292 Cb 1.42 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2jiq h ALA 292 CO 0.12 -0.73 -0.13 0.00 0.00 0.00 0.00 179.25 178.50 2jiq h ALA 293 N -0.46 -0.16 -0.22 0.00 0.00 -0.82 -1.36 119.26 116.25 2jiq h ALA 293 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jiq h ALA 293 Cb 0.57 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2jiq h ALA 293 CO 0.10 -0.62 0.02 0.00 0.00 0.00 0.00 179.25 178.75 2jiq h ARG 294 N -0.22 0.10 -0.81 0.00 3.08 -0.94 -1.25 114.38 114.32 2jiq h ARG 294 Ca 0.04 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.17 2jiq h ARG 294 Cb 0.28 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 2jiq h ARG 294 CO -0.12 0.06 0.48 0.00 -1.07 0.00 0.00 179.97 179.32 2jiq h ALA 295 N 1.17 1.14 0.86 0.04 0.00 -1.10 0.54 119.26 121.92 2jiq h ALA 295 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2jiq h ALA 295 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jiq h ALA 295 CO -0.15 0.14 -0.48 0.35 0.00 0.00 0.00 179.25 179.11 2jiq h PHE 296 N 0.83 -1.26 -0.01 0.00 3.57 -0.64 -2.55 116.94 116.88 2jiq h PHE 296 Ca 0.38 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.68 2jiq h PHE 296 Cb 0.29 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2jiq h PHE 296 CO -0.06 -0.74 -0.82 0.00 -2.23 0.00 0.00 178.31 174.47 2jiq h ALA 297 N -1.17 0.61 0.00 2.41 0.00 -1.13 -3.33 119.26 116.65 2jiq h ALA 297 Ca -0.12 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 53.92 2jiq h ALA 297 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2jiq h ALA 297 CO 0.15 0.91 -0.92 0.93 0.00 0.00 0.00 179.25 180.32 2jiq h GLU 298 N 0.09 0.00 -7.08 0.00 5.08 -0.96 -3.46 114.58 108.25 2jiq h GLU 298 Ca -0.03 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.79 2jiq h GLU 298 Cb 1.43 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.81 2jiq h GLU 298 CO 0.12 0.73 0.53 -1.12 -1.00 0.00 0.00 179.01 178.27 2jiq s SER 299 N -6.50 5.13 0.13 1.42 0.01 -0.96 -4.97 113.70 107.97 2jiq s SER 299 Ca 0.01 2.57 -0.21 0.00 1.31 0.00 0.00 55.95 59.63 2jiq s SER 299 Cb 0.09 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2jiq s SER 299 CO 0.79 -1.65 1.68 0.00 0.41 0.00 0.00 173.24 174.47 2jiq h ALA 300 N 1.07 0.01 -3.33 1.44 0.00 -1.90 -3.42 119.26 113.13 2jiq h ALA 300 Ca -0.51 0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 2jiq h ALA 300 Cb 1.31 0.27 -0.36 0.00 0.00 0.00 0.00 17.79 19.00 2jiq h ALA 300 CO 0.56 -0.56 -0.70 0.00 0.00 0.00 0.00 179.25 178.55 2jiq s ALA 301 N -6.17 0.07 -0.14 0.00 0.00 -1.26 -4.97 121.76 109.29 2jiq s ALA 301 Ca -0.14 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2jiq s ALA 301 Cb 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2jiq s ALA 301 CO 0.68 -0.35 -0.19 0.99 0.00 0.00 0.00 175.76 176.89 2jiq s THR 302 N 1.76 2.40 -0.15 0.00 2.01 -1.25 0.37 115.64 120.77 2jiq s THR 302 Ca -0.01 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 2jiq s THR 302 Cb -0.12 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 2jiq s THR 302 CO -0.04 0.53 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.07 2jiq s MET 303 N 0.70 3.65 -0.11 4.92 1.75 0.08 -2.17 119.30 128.11 2jiq s MET 303 Ca -0.08 -0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 53.72 2jiq s MET 303 Cb -0.16 -2.90 -0.05 0.00 2.84 0.00 0.00 34.83 34.57 2jiq s MET 303 CO 0.01 0.25 0.25 -1.12 -0.65 0.00 0.00 175.02 173.76 2jiq s SER 304 N 0.33 6.48 -0.03 1.11 0.01 -0.90 -0.13 113.70 120.57 2jiq s SER 304 Ca -0.04 0.57 0.02 0.00 1.31 0.00 0.00 55.95 57.81 2jiq s SER 304 Cb -0.14 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.95 2jiq s SER 304 CO 0.03 0.28 -0.08 -0.76 0.41 0.00 0.00 173.24 173.12 2jiq s LEU 305 N -0.48 1.73 0.04 2.44 1.43 0.16 -1.42 118.68 122.58 2jiq s LEU 305 Ca 0.17 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2jiq s LEU 305 Cb -0.13 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.58 2jiq s LEU 305 CO 0.06 0.05 0.23 -1.66 0.23 0.00 0.00 176.35 175.25 2jiq s TRP 306 N 0.29 0.00 0.00 0.29 -2.14 -1.23 -0.46 118.94 115.69 2jiq s TRP 306 Ca -0.04 -0.20 0.00 0.00 2.66 0.00 0.00 56.10 58.52 2jiq s TRP 306 Cb -0.09 0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.29 2jiq s TRP 306 CO 0.00 -0.46 0.00 0.00 -2.66 0.00 0.00 176.95 173.84 2jiq h MET 308 N 0.00 0.00 0.00 0.00 2.86 -1.80 -2.69 114.93 113.30 2jiq h MET 308 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2jiq h MET 308 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2jiq h MET 308 CO 0.00 0.00 -0.20 0.78 1.06 0.00 0.00 176.91 178.55 2jiq h GLY 309 N 2.47 0.00 0.48 8.32 0.00 -1.41 -0.55 103.07 112.37 2jiq h GLY 309 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2jiq h GLY 309 CO 0.00 0.00 -1.92 1.39 0.00 0.00 0.00 176.54 176.01 2jiq n ILE 310 N -3.36 1.73 0.05 2.60 2.08 -1.05 -4.68 119.36 116.73 2jiq n ILE 310 Ca 0.00 -0.55 -0.19 0.00 0.56 0.00 0.00 62.75 62.57 2jiq n ILE 310 Cb 0.42 -1.77 -0.14 0.00 -0.75 0.00 0.00 39.64 37.40 2jiq n ILE 310 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2jiq h ASN 311 N -0.11 0.44 -0.18 4.38 2.35 -1.21 -3.39 115.58 117.87 2jiq h ASN 311 Ca -0.43 -0.69 -0.72 0.00 -0.55 0.00 0.00 56.30 53.92 2jiq h ASN 311 Cb 1.91 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 40.08 2jiq h ASN 311 CO 0.03 1.59 3.01 0.00 -1.65 0.00 0.00 177.43 180.40 2jiq n GLN 312 N -3.47 2.97 -3.69 0.81 6.02 -0.24 -4.62 117.38 115.16 2jiq n GLN 312 Ca -0.21 -2.71 -0.14 0.00 -0.01 0.00 0.00 57.00 53.93 2jiq n GLN 312 Cb 1.06 -3.23 -0.09 0.00 1.02 0.00 0.00 30.24 29.00 2jiq n GLN 312 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2jiq s ARG 313 N 2.81 0.68 0.37 -1.09 1.81 -1.23 -3.21 118.95 119.07 2jiq s ARG 313 Ca 0.47 0.40 0.27 0.00 -1.72 0.00 0.00 55.73 55.15 2jiq s ARG 313 Cb 0.14 0.32 1.09 0.00 -0.45 0.00 0.00 34.95 36.04 2jiq s ARG 313 CO -0.08 -0.14 1.81 -0.39 -0.68 0.00 0.00 175.30 175.82 2jiq h VAL 314 N 4.02 0.00 -0.77 3.52 -1.51 -1.86 -2.21 116.25 117.44 2jiq h VAL 314 Ca -0.28 -0.37 -0.48 0.00 -1.23 0.00 0.00 66.70 64.33 2jiq h VAL 314 Cb 1.17 1.23 -0.27 0.00 -2.13 0.00 0.00 31.29 31.29 2jiq h VAL 314 CO 0.28 0.00 0.25 0.00 -1.23 0.00 0.00 177.57 176.87 2jiq n GLN 315 N -2.57 2.52 -0.04 5.19 6.02 -1.26 -4.38 117.38 122.85 2jiq n GLN 315 Ca 0.02 -3.37 -0.12 0.00 -0.01 0.00 0.00 57.00 53.52 2jiq n GLN 315 Cb 0.28 -2.13 -0.06 0.00 1.02 0.00 0.00 30.24 29.34 2jiq n GLN 315 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jiq h GLY 316 N 1.54 0.27 1.62 1.08 0.00 -1.60 -1.48 103.07 104.49 2jiq h GLY 316 Ca 0.47 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.44 2jiq h GLY 316 CO 1.00 0.19 -0.60 -0.39 0.00 0.00 0.00 176.54 176.74 2jiq h VAL 317 N -0.03 1.36 -0.49 4.60 -1.51 -1.85 -2.44 116.25 115.89 2jiq h VAL 317 Ca 0.04 -1.92 -0.12 0.00 -1.23 0.00 0.00 66.70 63.47 2jiq h VAL 317 Cb 0.39 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 2jiq h VAL 317 CO 0.01 0.58 -0.16 -0.26 -1.23 0.00 0.00 177.57 176.51 2jiq h PHE 318 N 0.30 1.08 -0.34 5.19 -1.00 -1.91 -1.39 116.94 118.87 2jiq h PHE 318 Ca -0.00 -0.23 0.01 0.00 2.81 0.00 0.00 57.97 60.55 2jiq h PHE 318 Cb 1.13 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.41 2jiq h PHE 318 CO 0.03 1.03 0.23 0.00 -1.61 0.00 0.00 178.31 178.00 2jiq h ALA 319 N 0.97 1.77 -0.03 2.45 0.00 -1.04 -1.65 119.26 121.72 2jiq h ALA 319 Ca 0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2jiq h ALA 319 Cb 0.71 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jiq h ALA 319 CO 0.05 0.21 -0.37 -0.91 0.00 0.00 0.00 179.25 178.24 2jiq h ASN 320 N 0.46 0.38 -0.96 0.00 2.35 -0.95 -2.99 115.58 113.86 2jiq h ASN 320 Ca 0.13 -0.71 0.20 0.00 -0.55 0.00 0.00 56.30 55.37 2jiq h ASN 320 Cb -0.04 -0.11 -0.09 0.00 0.05 0.00 0.00 38.32 38.13 2jiq h ASN 320 CO -0.03 1.04 0.62 0.78 -1.65 0.00 0.00 177.43 178.18 2jiq h ASN 321 N -0.25 0.57 0.15 5.81 2.35 -1.18 -2.30 115.58 120.74 2jiq h ASN 321 Ca -0.04 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 2jiq h ASN 321 Cb 1.06 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2jiq h ASN 321 CO 0.07 0.21 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.44 2jiq h LEU 322 N 0.56 0.47 -0.75 1.61 4.07 -1.20 0.19 115.31 120.26 2jiq h LEU 322 Ca 0.53 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 58.17 2jiq h LEU 322 Cb 1.10 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 2jiq h LEU 322 CO -0.27 0.93 0.19 0.40 -1.08 0.00 0.00 178.44 178.61 2jiq h ILE 323 N 0.33 1.26 -0.15 1.22 2.04 -1.29 -3.02 117.51 117.90 2jiq h ILE 323 Ca 0.00 -0.95 -0.17 0.00 1.00 0.00 0.00 64.86 64.74 2jiq h ILE 323 Cb 1.07 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2jiq h ILE 323 CO 0.10 0.37 -0.60 0.45 0.00 0.00 0.00 178.15 178.47 2jiq h HIS 324 N 1.08 0.65 -0.98 1.37 3.86 -1.19 -2.45 115.15 117.49 2jiq h HIS 324 Ca 0.23 -0.24 0.22 0.00 -1.16 0.00 0.00 60.37 59.41 2jiq h HIS 324 Cb 0.35 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.62 2jiq h HIS 324 CO 0.03 0.98 0.63 -0.91 0.86 0.00 0.00 177.93 179.51 2jiq h ASN 325 N 0.38 0.56 -0.14 2.45 4.21 -0.57 0.32 115.58 122.80 2jiq h ASN 325 Ca -0.00 0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.50 2jiq h ASN 325 Cb 1.15 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2jiq h ASN 325 CO 0.11 0.18 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.13 2jiq h LEU 326 N 0.54 0.44 -0.43 1.61 3.38 -1.31 -1.68 115.31 117.85 2jiq h LEU 326 Ca 0.55 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2jiq h LEU 326 Cb 1.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2jiq h LEU 326 CO -0.29 0.90 -0.25 0.45 0.09 0.00 0.00 178.44 179.33 2jiq h HIS 327 N 0.00 1.09 -0.64 1.13 3.86 -1.27 -3.17 115.15 116.15 2jiq h HIS 327 Ca 0.01 -0.28 -0.05 0.00 -1.16 0.00 0.00 60.37 58.88 2jiq h HIS 327 Cb 0.81 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 2jiq h HIS 327 CO 0.10 1.09 0.19 -0.07 0.86 0.00 0.00 177.93 180.10 2jiq h LEU 328 N 0.77 0.92 -1.10 2.43 3.38 -0.38 0.12 115.31 121.45 2jiq h LEU 328 Ca 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2jiq h LEU 328 Cb 0.83 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2jiq h LEU 328 CO 0.07 0.87 -0.17 -0.29 0.09 0.00 0.00 178.44 179.02 2jiq h ILE 329 N 0.95 0.40 0.00 1.22 6.09 -1.36 -3.32 117.51 121.50 2jiq h ILE 329 Ca 0.21 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 2jiq h ILE 329 Cb 0.29 1.74 0.00 0.00 0.47 0.00 0.00 36.82 39.32 2jiq h ILE 329 CO -0.01 0.16 -1.05 0.35 -3.07 0.00 0.00 178.15 174.54 2jiq n THR 330 N -3.30 0.00 -1.37 2.19 -2.24 -1.14 -1.34 114.28 107.08 2jiq n THR 330 Ca 0.00 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 2jiq n THR 330 Cb 0.41 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 2jiq n THR 330 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jiq n GLY 331 N 1.71 0.62 2.80 3.38 0.00 0.38 -4.37 105.19 109.71 2jiq n GLY 331 Ca -0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2jiq n GLY 331 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jiq n GLN 332 N -2.53 2.69 -3.55 1.61 1.13 -0.95 -4.79 117.38 110.99 2jiq n GLN 332 Ca -0.05 -2.53 -0.08 0.00 -1.94 0.00 0.00 57.00 52.40 2jiq n GLN 332 Cb 0.25 -3.25 -0.03 0.00 0.11 0.00 0.00 30.24 27.32 2jiq n GLN 332 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2jiq s ILE 333 N 3.47 0.00 -1.59 5.09 2.07 -1.24 -3.24 121.20 125.76 2jiq s ILE 333 Ca 0.49 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 2jiq s ILE 333 Cb 0.14 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.73 2jiq s ILE 333 CO -0.06 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 172.97 2jiq s ARG 335 N -3.86 0.84 0.10 0.00 1.70 -1.25 -4.93 118.95 111.55 2jiq s ARG 335 Ca 0.00 -0.87 -0.31 0.00 -0.47 0.00 0.00 55.73 54.08 2jiq s ARG 335 Cb 0.00 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 2jiq s ARG 335 CO 0.00 -0.27 1.85 -2.14 -1.08 0.00 0.00 175.30 173.66 2jiq s PRO 336 N -3.62 4.14 0.00 3.89 0.02 -1.26 -2.55 135.00 135.62 2jiq s PRO 336 Ca 0.03 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2jiq s PRO 336 Cb 0.04 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.83 2jiq s PRO 336 CO -0.10 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 2jiq n GLY 337 N 4.29 2.48 3.21 0.52 0.00 -1.26 -4.81 105.19 109.63 2jiq n GLY 337 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2jiq n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jiq s ALA 338 N -2.49 2.72 -0.20 4.61 0.00 -1.06 -3.49 121.76 121.86 2jiq s ALA 338 Ca 0.00 -1.45 -0.32 0.00 0.00 0.00 0.00 51.96 50.19 2jiq s ALA 338 Cb 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 23.12 21.56 2jiq s ALA 338 CO 0.00 -0.81 1.19 -0.08 0.00 0.00 0.00 175.76 176.06 2jiq s THR 339 N 1.34 0.00 -0.56 0.00 -1.32 -0.92 -3.61 115.64 110.56 2jiq s THR 339 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.31 2jiq s THR 339 Cb -0.17 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.93 2jiq s THR 339 CO -0.04 0.00 0.62 -0.55 -2.21 0.00 0.00 174.62 172.44 2jiq s SER 340 N -1.70 6.19 -0.40 8.08 0.15 -1.26 -2.11 113.70 122.65 2jiq s SER 340 Ca 0.07 -1.50 0.03 0.00 0.70 0.00 0.00 55.95 55.26 2jiq s SER 340 Cb -0.01 -2.27 0.11 0.00 -1.71 0.00 0.00 66.02 62.14 2jiq s SER 340 CO -0.04 -1.00 0.13 0.12 1.20 0.00 0.00 173.24 173.64 2jiq s PHE 341 N 2.31 3.25 -0.02 3.44 5.36 -0.51 -4.58 117.98 127.24 2jiq s PHE 341 Ca 0.09 -2.88 -0.30 0.00 -0.96 0.00 0.00 56.93 52.87 2jiq s PHE 341 Cb -0.26 -2.70 -0.04 0.00 -0.34 0.00 0.00 43.02 39.68 2jiq s PHE 341 CO 0.06 -0.87 1.26 0.45 -1.46 0.00 0.00 175.22 174.66 2jiq s SER 342 N 0.59 6.99 -0.02 6.13 0.15 -1.26 -3.53 113.70 122.75 2jiq s SER 342 Ca 0.13 1.94 -0.30 0.00 0.70 0.00 0.00 55.95 58.42 2jiq s SER 342 Cb -0.21 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 2jiq s SER 342 CO -0.07 -0.61 1.12 -0.76 1.20 0.00 0.00 173.24 174.13 2jiq s LEU 343 N 2.05 4.32 -0.10 3.45 1.43 -0.27 -4.89 118.68 124.67 2jiq s LEU 343 Ca 0.59 1.79 -0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2jiq s LEU 343 Cb -0.28 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 2jiq s LEU 343 CO 0.25 -0.46 0.20 -0.89 0.23 0.00 0.00 176.35 175.67 2jiq s THR 344 N 1.61 5.40 -0.08 5.49 2.01 -1.26 -4.66 115.64 124.15 2jiq s THR 344 Ca 0.55 0.34 -0.12 0.00 0.31 0.00 0.00 61.69 62.77 2jiq s THR 344 Cb -0.24 -3.47 -0.29 0.00 0.01 0.00 0.00 72.50 68.51 2jiq s THR 344 CO 0.25 0.59 0.58 1.23 -0.69 0.00 0.00 174.62 176.57 2jiq h GLY 345 N 5.13 0.36 -2.09 4.40 0.00 -1.97 -3.34 103.07 105.56 2jiq h GLY 345 Ca -0.53 -0.93 -0.49 0.00 0.00 0.00 0.00 47.33 45.38 2jiq h GLY 345 CO 0.61 0.82 0.16 1.20 0.00 0.00 0.00 176.54 179.32 2jiq s GLN 346 N -2.53 3.64 0.52 4.80 -0.21 -1.26 -0.74 119.66 123.88 2jiq s GLN 346 Ca -0.18 0.38 0.28 0.00 0.02 0.00 0.00 55.36 55.85 2jiq s GLN 346 Cb 0.05 -2.34 1.45 0.00 1.00 0.00 0.00 33.01 33.17 2jiq s GLN 346 CO 0.81 -0.19 2.07 -1.00 -2.12 0.00 0.00 175.29 174.85 2jiq h PRO 347 N 0.54 0.00 -0.06 2.91 0.13 -1.64 -3.22 132.00 130.66 2jiq h PRO 347 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 2jiq h PRO 347 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 2jiq h PRO 347 CO 0.62 0.12 -0.82 -1.71 -0.23 0.00 0.00 178.00 175.98 2jiq n ASN 348 N -3.63 0.44 0.16 1.44 5.15 0.63 -3.70 115.26 115.75 2jiq n ASN 348 Ca -0.02 -2.02 0.02 0.00 -0.60 0.00 0.00 54.58 51.97 2jiq n ASN 348 Cb 0.24 -0.12 0.37 0.00 -0.53 0.00 0.00 39.78 39.74 2jiq n ASN 348 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jiq h ALA 349 N 0.97 1.44 0.18 5.20 0.00 -1.64 -2.66 119.26 122.74 2jiq h ALA 349 Ca -0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2jiq h ALA 349 Cb 1.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jiq h ALA 349 CO -0.00 0.40 -0.08 0.00 0.00 0.00 0.00 179.25 179.57 2jiq h GLY 351 N -0.97 0.47 0.97 0.00 0.00 -1.61 0.17 103.07 102.11 2jiq h GLY 351 Ca -0.02 -1.21 -0.24 0.00 0.00 0.00 0.00 47.33 45.86 2jiq h GLY 351 CO 0.04 1.06 -1.01 -1.33 0.00 0.00 0.00 176.54 175.29 2jiq h GLY 352 N 0.09 0.53 0.00 4.60 0.00 -1.65 -3.15 103.07 103.49 2jiq h GLY 352 Ca -0.25 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 45.91 2jiq h GLY 352 CO 0.20 1.03 -0.88 3.33 0.00 0.00 0.00 176.54 180.22 2jiq n VAL 353 N -3.97 0.00 0.22 4.60 0.24 -1.21 -4.19 118.33 114.02 2jiq n VAL 353 Ca -0.14 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 2jiq n VAL 353 Cb 0.89 -0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 32.71 2jiq n VAL 353 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2jiq h ARG 354 N 0.00 -0.59 -0.61 7.34 3.08 -0.21 0.22 114.38 123.61 2jiq h ARG 354 Ca 0.00 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2jiq h ARG 354 Cb 0.88 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 2jiq h ARG 354 CO 0.00 -0.38 0.18 -0.44 -1.07 0.00 0.00 179.97 178.26 2jiq h ASP 355 N -1.16 0.90 -0.20 7.04 3.32 -0.80 -2.70 116.42 122.82 2jiq h ASP 355 Ca -0.06 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2jiq h ASP 355 Cb 0.49 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2jiq h ASP 355 CO 0.10 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 179.11 2jiq n GLY 356 N -0.70 0.32 4.18 2.75 0.00 -1.19 -1.39 105.19 109.16 2jiq n GLY 356 Ca 0.04 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2jiq n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jiq n GLY 357 N 0.72 -0.31 2.15 -0.02 0.00 -1.00 -4.00 105.19 102.72 2jiq n GLY 357 Ca 0.07 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 2jiq n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jiq n ALA 358 N -4.63 5.71 -2.45 4.61 0.00 0.03 -4.27 120.51 119.51 2jiq n ALA 358 Ca -0.28 -2.35 -0.23 0.00 0.00 0.00 0.00 53.44 50.59 2jiq n ALA 358 Cb 0.67 -1.68 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 2jiq n ALA 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jiq s LEU 359 N -2.18 2.59 0.61 0.00 2.01 -1.26 -4.07 118.68 116.39 2jiq s LEU 359 Ca 0.44 -1.05 0.39 0.00 0.01 0.00 0.00 54.13 53.91 2jiq s LEU 359 Cb 0.32 -0.98 2.00 0.00 0.01 0.00 0.00 46.19 47.54 2jiq s LEU 359 CO -0.09 -0.05 2.23 0.77 1.01 0.00 0.00 176.35 180.23 2jiq h SER 360 N 2.30 0.00 -0.21 2.29 4.64 -0.79 -2.76 113.55 119.02 2jiq h SER 360 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2jiq h SER 360 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jiq h SER 360 CO 0.62 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 2jiq n HIS 361 N -3.21 0.28 -4.30 4.77 1.44 -1.26 -1.25 115.22 111.69 2jiq n HIS 361 Ca -0.02 -0.39 -0.16 0.00 -2.01 0.00 0.00 57.72 55.14 2jiq n HIS 361 Cb 0.15 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.14 2jiq n HIS 361 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2jiq s LEU 362 N -0.94 2.47 0.26 2.39 1.43 -1.04 -2.63 118.68 120.63 2jiq s LEU 362 Ca 0.16 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 2jiq s LEU 362 Cb 0.09 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 2jiq s LEU 362 CO 0.12 -0.32 -0.10 -0.76 0.23 0.00 0.00 176.35 175.52 2jiq s LEU 363 N -3.25 2.52 0.49 1.79 1.43 0.18 -4.62 118.68 117.23 2jiq s LEU 363 Ca 0.21 -1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 51.96 2jiq s LEU 363 Cb 0.02 -0.70 -0.08 0.00 0.03 0.00 0.00 46.19 45.46 2jiq s LEU 363 CO 0.04 -0.26 1.12 -2.65 0.23 0.00 0.00 176.35 174.84 2jiq n PRO 364 N -0.54 1.44 -3.35 1.29 -0.02 -1.26 -3.10 135.00 129.46 2jiq n PRO 364 Ca -0.06 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.78 2jiq n PRO 364 Cb 0.62 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.93 2jiq n PRO 364 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jiq n ALA 365 N -0.84 -2.10 -0.44 3.55 0.00 -0.49 -3.40 120.51 116.79 2jiq n ALA 365 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jiq n ALA 365 Cb 0.42 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.64 2jiq n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jiq n GLY 366 N -1.16 0.76 3.90 0.00 0.00 -1.26 -4.76 105.19 102.67 2jiq n GLY 366 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2jiq n GLY 366 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jiq s ARG 367 N -0.56 3.59 -0.03 1.61 0.52 -1.18 -5.00 118.95 117.91 2jiq s ARG 367 Ca 0.00 -0.14 0.07 0.00 -0.52 0.00 0.00 55.73 55.14 2jiq s ARG 367 Cb 0.00 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 2jiq s ARG 367 CO 0.00 0.49 -0.25 0.00 0.02 0.00 0.00 175.30 175.56 2jiq s ALA 368 N -1.63 2.20 0.23 2.13 0.00 -1.26 -0.64 121.76 122.79 2jiq s ALA 368 Ca 0.40 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2jiq s ALA 368 Cb -0.12 -0.60 0.25 0.00 0.00 0.00 0.00 23.12 22.65 2jiq s ALA 368 CO 0.25 0.52 1.68 -0.84 0.00 0.00 0.00 175.76 177.37 2jiq h ILE 369 N 4.52 1.26 0.00 0.00 -0.00 -1.76 -2.42 117.51 119.11 2jiq h ILE 369 Ca -0.42 -1.23 0.00 0.00 -0.00 0.00 0.00 64.86 63.21 2jiq h ILE 369 Cb 1.13 1.11 0.00 0.00 -0.00 0.00 0.00 36.82 39.06 2jiq h ILE 369 CO 0.47 0.41 0.00 -2.65 -0.00 0.00 0.00 178.15 176.39 2jiq n PRO 370 N -4.15 0.03 -2.78 0.16 -0.02 -1.25 -4.60 135.00 122.39 2jiq n PRO 370 Ca 0.01 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 2jiq n PRO 370 Cb 0.39 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 2jiq n PRO 370 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2jiq s ASN 371 N -2.95 6.29 0.27 2.55 3.84 -0.91 -4.90 114.94 119.13 2jiq s ASN 371 Ca 0.08 -0.45 -0.00 0.00 0.21 0.00 0.00 52.86 52.69 2jiq s ASN 371 Cb 0.09 -2.46 0.60 0.00 -0.55 0.00 0.00 41.25 38.94 2jiq s ASN 371 CO 0.25 -1.38 1.70 0.00 -2.79 0.00 0.00 177.10 174.88 2jiq h ALA 372 N 9.48 1.23 -0.63 1.71 0.00 -1.85 -1.38 119.26 127.82 2jiq h ALA 372 Ca -0.27 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2jiq h ALA 372 Cb 1.07 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2jiq h ALA 372 CO 1.14 -0.31 0.12 -0.22 0.00 0.00 0.00 179.25 179.98 2jiq h LYS 373 N 0.38 1.03 -0.05 0.00 3.64 -1.94 -2.30 116.57 117.33 2jiq h LYS 373 Ca 0.49 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2jiq h LYS 373 Cb 0.88 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2jiq h LYS 373 CO -0.50 0.95 0.03 0.45 -2.27 0.00 0.00 179.45 178.10 2jiq h HIS 374 N 0.94 0.06 -0.26 1.91 3.86 -1.56 -1.01 115.15 119.09 2jiq h HIS 374 Ca 0.19 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.47 2jiq h HIS 374 Cb 0.41 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.78 2jiq h HIS 374 CO 0.03 0.08 -0.32 0.00 0.86 0.00 0.00 177.93 178.58 2jiq h ARG 375 N 0.02 -0.31 -0.83 2.45 3.08 -1.29 0.13 114.38 117.64 2jiq h ARG 375 Ca 0.02 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2jiq h ARG 375 Cb 0.04 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2jiq h ARG 375 CO -0.00 -0.21 0.54 0.00 -1.07 0.00 0.00 179.97 179.23 2jiq h ALA 376 N 0.58 1.59 0.00 0.04 0.00 -1.31 0.20 119.26 120.35 2jiq h ALA 376 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jiq h ALA 376 Cb 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jiq h ALA 376 CO -0.44 0.29 0.00 1.05 0.00 0.00 0.00 179.25 180.15 2jiq h GLU 377 N 0.92 0.00 0.21 0.00 4.11 -0.02 -1.27 114.58 118.53 2jiq h GLU 377 Ca 0.35 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.45 2jiq h GLU 377 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 2jiq h GLU 377 CO -0.12 0.00 -1.57 0.52 0.07 0.00 0.00 179.01 177.90 2jiq h MET 378 N 0.00 0.44 -0.76 1.06 2.86 -0.19 -3.00 114.93 115.33 2jiq h MET 378 Ca 0.00 -0.75 0.06 0.00 -2.06 0.00 0.00 59.70 56.96 2jiq h MET 378 Cb 0.84 0.28 -0.06 0.00 0.06 0.00 0.00 31.60 32.72 2jiq h MET 378 CO 0.00 1.36 0.45 0.93 1.06 0.00 0.00 176.91 180.71 2jiq h GLU 379 N 0.06 0.79 0.25 1.72 5.08 -0.88 0.41 114.58 122.01 2jiq h GLU 379 Ca -0.30 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2jiq h GLU 379 Cb 2.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2jiq h GLU 379 CO 0.21 0.52 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.39 2jiq h LYS 380 N 0.81 -0.33 -0.17 2.33 3.64 -1.36 0.68 116.57 122.17 2jiq h LYS 380 Ca 0.34 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2jiq h LYS 380 Cb 0.20 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2jiq h LYS 380 CO -0.19 -0.22 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.53 2jiq h LEU 381 N -0.34 0.28 -0.86 5.20 3.38 -1.32 -2.69 115.31 118.96 2jiq h LEU 381 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jiq h LEU 381 Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jiq h LEU 381 CO 0.05 0.47 -0.24 0.79 0.09 0.00 0.00 178.44 179.60 2jiq n TRP 382 N -4.22 0.00 -3.15 1.13 8.01 0.14 -4.97 117.44 114.38 2jiq n TRP 382 Ca -0.01 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.04 2jiq n TRP 382 Cb 0.31 -0.06 0.07 0.00 -2.01 0.00 0.00 31.31 29.63 2jiq n TRP 382 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2jiq n GLY 383 N 1.33 -0.19 3.96 6.99 0.00 -0.51 -4.84 105.19 111.93 2jiq n GLY 383 Ca 0.13 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2jiq n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jiq s LEU 384 N -5.48 4.33 0.57 0.99 1.43 0.23 -5.02 118.68 115.72 2jiq s LEU 384 Ca 0.08 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 2jiq s LEU 384 Cb -0.03 -2.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.23 2jiq s LEU 384 CO 0.57 -0.02 0.93 -2.65 0.23 0.00 0.00 176.35 175.42 2jiq n PRO 385 N -1.01 0.95 -1.93 1.29 -0.02 -1.26 -4.74 135.00 128.29 2jiq n PRO 385 Ca -0.08 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 2jiq n PRO 385 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2jiq n PRO 385 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2jiq s GLU 386 N -2.57 3.92 0.00 -0.52 2.12 -1.26 -2.75 118.70 117.63 2jiq s GLU 386 Ca 0.73 2.32 0.00 0.00 0.36 0.00 0.00 54.97 58.38 2jiq s GLU 386 Cb -0.44 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2jiq s GLU 386 CO 0.49 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2jiq n GLY 387 N 0.61 0.51 0.18 -1.50 0.00 -1.26 -4.91 105.19 98.82 2jiq n GLY 387 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2jiq n GLY 387 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jiq h ARG 388 N 1.33 0.53 -6.23 1.61 2.43 -1.90 -3.41 114.38 108.74 2jiq h ARG 388 Ca 0.00 -0.16 -0.56 0.00 -0.81 0.00 0.00 59.98 58.44 2jiq h ARG 388 Cb 0.16 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2jiq h ARG 388 CO 0.00 0.66 1.01 0.42 -1.51 0.00 0.00 179.97 180.55 2jiq s ILE 389 N -5.04 3.96 0.44 1.20 1.01 -1.26 -4.70 121.20 116.81 2jiq s ILE 389 Ca -0.13 1.14 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 2jiq s ILE 389 Cb 0.08 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 2jiq s ILE 389 CO 0.76 -0.20 0.84 0.00 0.00 0.00 0.00 174.94 176.34 2jiq n ALA 390 N 7.28 -0.41 0.41 9.38 0.00 -1.26 -4.91 120.51 131.00 2jiq n ALA 390 Ca 0.16 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.91 2jiq n ALA 390 Cb 0.45 -1.98 0.25 0.00 0.00 0.00 0.00 19.45 18.18 2jiq n ALA 390 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jiq h PRO 391 N 1.18 0.00 -6.58 0.00 0.11 -1.91 -3.46 132.00 121.34 2jiq h PRO 391 Ca -0.43 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 2jiq h PRO 391 Cb 1.36 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.26 2jiq h PRO 391 CO 0.54 0.00 -0.80 -1.21 -0.21 0.00 0.00 178.00 176.32 2jiq s GLU 392 N -3.17 2.06 0.48 1.05 2.02 -1.26 -3.95 118.70 115.92 2jiq s GLU 392 Ca 0.08 -0.99 -0.23 0.00 0.02 0.00 0.00 54.97 53.85 2jiq s GLU 392 Cb 0.09 -2.19 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 2jiq s GLU 392 CO 0.65 0.54 1.22 -2.14 0.02 0.00 0.00 175.26 175.55 2jiq s PRO 393 N -1.52 3.62 0.00 0.39 0.02 -1.26 -4.76 135.00 131.48 2jiq s PRO 393 Ca 0.15 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2jiq s PRO 393 Cb -0.11 -2.40 0.00 0.00 0.02 0.00 0.00 34.50 32.01 2jiq s PRO 393 CO 0.06 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2jiq n GLY 394 N 0.54 -2.68 3.66 0.52 0.00 -0.38 -4.95 105.19 101.91 2jiq n GLY 394 Ca 0.08 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 2jiq n GLY 394 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jiq s TYR 395 N -0.94 3.13 0.92 1.61 2.02 -1.26 -4.78 117.35 118.04 2jiq s TYR 395 Ca 0.00 1.26 -0.10 0.00 -0.37 0.00 0.00 57.07 57.86 2jiq s TYR 395 Cb 0.00 -3.38 0.15 0.00 -0.40 0.00 0.00 41.96 38.33 2jiq s TYR 395 CO 0.00 -1.05 1.13 -3.38 -1.57 0.00 0.00 175.55 170.68 2jiq s HIS 396 N 3.16 1.69 0.14 2.71 -3.43 -1.26 -4.54 115.29 113.76 2jiq s HIS 396 Ca 0.50 1.73 -0.18 0.00 -0.80 0.00 0.00 55.06 56.31 2jiq s HIS 396 Cb -0.19 -3.30 0.02 0.00 -1.43 0.00 0.00 32.58 27.68 2jiq s HIS 396 CO 0.12 -2.78 1.73 1.15 -2.00 0.00 0.00 174.74 172.95 2jiq h THR 397 N -1.85 0.85 -0.19 -5.38 2.02 -1.90 0.42 112.91 106.89 2jiq h THR 397 Ca -0.44 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2jiq h THR 397 Cb 1.27 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2jiq h THR 397 CO 0.43 0.02 0.09 0.58 0.37 0.00 0.00 175.52 177.02 2jiq h VAL 398 N 0.13 1.00 -0.32 3.16 2.07 -1.92 -2.49 116.25 117.88 2jiq h VAL 398 Ca 0.13 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2jiq h VAL 398 Cb 0.14 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2jiq h VAL 398 CO -0.18 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.62 2jiq h ALA 399 N 1.09 1.71 0.30 1.67 0.00 -1.64 -2.33 119.26 120.06 2jiq h ALA 399 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jiq h ALA 399 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jiq h ALA 399 CO -0.05 0.25 -0.15 1.25 0.00 0.00 0.00 179.25 180.56 2jiq h LEU 400 N 0.44 -0.34 -0.36 0.00 5.85 0.21 -1.22 115.31 119.88 2jiq h LEU 400 Ca 0.12 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jiq h LEU 400 Cb 0.01 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2jiq h LEU 400 CO -0.02 -0.17 0.00 -0.26 -0.34 0.00 0.00 178.44 177.65 2jiq h PHE 401 N -0.50 0.00 -0.15 1.25 0.04 -1.41 0.31 116.94 116.48 2jiq h PHE 401 Ca -0.04 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 2jiq h PHE 401 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2jiq h PHE 401 CO -0.03 0.00 -0.29 0.93 -0.60 0.00 0.00 178.31 178.32 2jiq h GLU 402 N 0.00 0.46 -0.17 1.51 5.08 -1.28 -3.03 114.58 117.15 2jiq h GLU 402 Ca 0.00 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2jiq h GLU 402 Cb 0.78 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2jiq h GLU 402 CO 0.00 0.90 -0.13 0.00 -1.00 0.00 0.00 179.01 178.78 2jiq h ALA 403 N 0.56 1.46 -0.20 3.43 0.00 -0.82 -1.39 119.26 122.29 2jiq h ALA 403 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jiq h ALA 403 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jiq h ALA 403 CO 0.07 0.38 0.13 1.25 0.00 0.00 0.00 179.25 181.07 2jiq h LEU 404 N 0.26 0.24 -1.18 0.00 5.85 -0.93 0.26 115.31 119.81 2jiq h LEU 404 Ca 0.05 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jiq h LEU 404 Cb 0.39 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2jiq h LEU 404 CO 0.02 0.20 0.33 1.23 -0.34 0.00 0.00 178.44 179.88 2jiq h GLY 405 N 0.26 0.96 2.00 3.75 0.00 -1.37 -2.09 103.07 106.58 2jiq h GLY 405 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 2jiq h GLY 405 CO -0.01 0.42 -0.22 3.21 0.00 0.00 0.00 176.54 179.93 2jiq h ARG 406 N 0.90 0.00 0.00 4.80 3.08 -1.04 -3.47 114.38 118.64 2jiq h ARG 406 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2jiq h ARG 406 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2jiq h ARG 406 CO -0.03 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 2jiq n GLY 407 N 0.10 0.63 0.13 0.04 0.00 -0.55 -4.97 105.19 100.57 2jiq n GLY 407 Ca -0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 2jiq n GLY 407 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jiq h ASP 408 N 0.00 0.60 -3.85 1.61 3.32 -1.22 -3.40 116.42 113.48 2jiq h ASP 408 Ca 0.00 -0.60 -0.64 0.00 0.02 0.00 0.00 57.03 55.81 2jiq h ASP 408 Cb 0.00 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 39.19 2jiq h ASP 408 CO 0.00 1.45 -0.48 -0.69 -1.72 0.00 0.00 179.24 177.80 2jiq s VAL 409 N -2.78 5.30 -0.11 -1.35 1.01 -0.99 -4.04 120.40 117.44 2jiq s VAL 409 Ca -0.06 0.22 0.16 0.00 0.00 0.00 0.00 61.98 62.30 2jiq s VAL 409 Cb 0.06 -3.55 -0.23 0.00 0.00 0.00 0.00 36.38 32.67 2jiq s VAL 409 CO 0.90 0.25 0.18 0.29 0.00 0.00 0.00 175.10 176.72 2jiq n LYS 410 N 5.02 1.05 -5.19 2.72 5.02 0.62 -4.37 118.16 123.03 2jiq n LYS 410 Ca -0.13 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 2jiq n LYS 410 Cb 0.52 -1.41 -0.17 0.00 -0.02 0.00 0.00 35.03 33.95 2jiq n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jiq s MET 412 N -0.04 0.32 -0.23 0.00 1.75 -0.67 -1.71 119.30 118.72 2jiq s MET 412 Ca -0.06 0.04 -0.16 0.00 -1.25 0.00 0.00 55.69 54.25 2jiq s MET 412 Cb -0.14 -0.46 -0.03 0.00 2.84 0.00 0.00 34.83 37.03 2jiq s MET 412 CO 0.04 -0.11 0.43 0.42 -0.65 0.00 0.00 175.02 175.16 2jiq s ILE 413 N 0.87 5.15 -0.31 10.11 1.01 -1.04 0.08 121.20 137.08 2jiq s ILE 413 Ca -0.09 0.75 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 2jiq s ILE 413 Cb -0.12 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2jiq s ILE 413 CO -0.01 0.18 0.12 -0.63 0.00 0.00 0.00 174.94 174.60 2jiq s ILE 414 N 1.75 4.24 -0.14 2.92 1.01 0.59 -0.31 121.20 131.26 2jiq s ILE 414 Ca 0.19 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2jiq s ILE 414 Cb -0.15 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2jiq s ILE 414 CO 0.09 0.03 -0.17 0.00 0.00 0.00 0.00 174.94 174.89 2jiq n GLU 416 N 4.40 -5.72 -3.82 0.00 2.13 -1.15 -3.77 120.64 112.71 2jiq n GLU 416 Ca -0.19 0.68 -0.10 0.00 0.66 0.00 0.00 57.16 58.21 2jiq n GLU 416 Cb 0.51 -5.58 -0.05 0.00 0.27 0.00 0.00 31.44 26.59 2jiq n GLU 416 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2jiq s THR 417 N -3.24 0.04 -0.49 6.31 -1.32 -1.26 -4.67 115.64 111.01 2jiq s THR 417 Ca 0.57 -1.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.12 2jiq s THR 417 Cb -0.28 -1.66 0.29 0.00 -1.51 0.00 0.00 72.50 69.34 2jiq s THR 417 CO 0.71 -0.20 0.71 -3.20 -2.21 0.00 0.00 174.62 170.43 2jiq n ASN 418 N -0.29 2.17 0.20 8.08 2.85 -1.26 -4.98 115.26 122.04 2jiq n ASN 418 Ca -0.09 -3.17 0.13 0.00 -0.11 0.00 0.00 54.58 51.34 2jiq n ASN 418 Cb 0.63 -0.63 0.71 0.00 1.24 0.00 0.00 39.78 41.72 2jiq n ASN 418 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2jiq h PRO 419 N 3.63 0.00 0.00 1.20 0.13 -1.98 -1.82 132.00 133.16 2jiq h PRO 419 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jiq h PRO 419 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2jiq h PRO 419 CO 0.65 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2jiq n ALA 420 N -2.51 2.32 0.00 -0.56 0.00 -1.26 -1.80 120.51 116.70 2jiq n ALA 420 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jiq n ALA 420 Cb 0.23 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2jiq n ALA 420 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2jiq n HIS 421 N -0.78 0.00 0.17 0.00 -0.00 -0.71 -4.86 115.22 109.05 2jiq n HIS 421 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.84 2jiq n HIS 421 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.02 2jiq n HIS 421 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2jiq n THR 422 N -1.45 0.00 -2.75 3.57 -2.24 -1.08 -4.65 114.28 105.68 2jiq n THR 422 Ca 0.00 -0.42 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 2jiq n THR 422 Cb 0.30 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 2jiq n THR 422 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jiq s LEU 423 N -2.02 4.28 0.41 3.22 1.43 -0.74 -5.04 118.68 120.22 2jiq s LEU 423 Ca 0.02 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.75 2jiq s LEU 423 Cb 0.03 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 2jiq s LEU 423 CO 0.14 -0.14 0.96 -2.16 0.23 0.00 0.00 176.35 175.39 2jiq s PRO 424 N -2.20 4.25 -0.62 1.29 0.04 -1.26 -4.23 135.00 132.28 2jiq s PRO 424 Ca 0.52 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2jiq s PRO 424 Cb -0.18 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 2jiq s PRO 424 CO 0.23 -0.02 0.54 -1.71 0.04 0.00 0.00 177.00 176.09 2jiq n ASN 425 N -0.39 -4.59 0.23 6.66 2.85 0.13 -4.64 115.26 115.51 2jiq n ASN 425 Ca 0.06 -0.41 0.10 0.00 -0.11 0.00 0.00 54.58 54.22 2jiq n ASN 425 Cb 0.53 -3.25 0.52 0.00 1.24 0.00 0.00 39.78 38.81 2jiq n ASN 425 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2jiq h LEU 426 N -0.65 0.00 -1.18 1.20 3.38 -0.64 -2.25 115.31 115.17 2jiq h LEU 426 Ca -0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 2jiq h LEU 426 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2jiq h LEU 426 CO 0.26 0.21 -0.04 0.78 0.09 0.00 0.00 178.44 179.74 2jiq h ASN 427 N 0.00 0.49 0.16 -0.43 2.35 -1.82 0.81 115.58 117.14 2jiq h ASN 427 Ca -0.00 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2jiq h ASN 427 Cb 0.65 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2jiq h ASN 427 CO 0.03 0.59 -0.08 0.50 -1.65 0.00 0.00 177.43 176.81 2jiq h LYS 428 N 0.49 -0.21 -0.21 0.81 3.64 -1.79 -2.86 116.57 116.44 2jiq h LYS 428 Ca 0.10 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2jiq h LYS 428 Cb 0.38 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2jiq h LYS 428 CO 0.02 0.19 0.00 0.28 -2.27 0.00 0.00 179.45 177.67 2jiq h VAL 429 N -0.71 0.86 -0.03 2.00 2.07 -1.09 -0.66 116.25 118.68 2jiq h VAL 429 Ca -0.02 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2jiq h VAL 429 Cb 0.51 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2jiq h VAL 429 CO 0.04 0.01 -0.21 0.45 0.02 0.00 0.00 177.57 177.89 2jiq h HIS 430 N 0.07 -0.54 -0.80 1.57 3.86 0.52 0.98 115.15 120.82 2jiq h HIS 430 Ca 0.10 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.44 2jiq h HIS 430 Cb 0.12 0.24 -0.13 0.00 1.06 0.00 0.00 27.41 28.71 2jiq h HIS 430 CO -0.18 -0.29 -0.44 0.87 0.86 0.00 0.00 177.93 178.76 2jiq h LYS 431 N -0.31 -0.10 -1.00 2.45 1.79 -1.24 -1.85 116.57 116.31 2jiq h LYS 431 Ca 0.07 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2jiq h LYS 431 Cb 0.41 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 2jiq h LYS 431 CO -0.21 -0.07 0.65 0.00 -1.08 0.00 0.00 179.45 178.74 2jiq h ALA 432 N 0.90 1.27 0.00 3.86 0.00 -0.46 -2.72 119.26 122.11 2jiq h ALA 432 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jiq h ALA 432 Cb 0.55 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jiq h ALA 432 CO -0.83 0.67 0.00 0.52 0.00 0.00 0.00 179.25 179.60 2jiq h MET 433 N 1.36 0.00 -0.58 0.00 2.86 -0.03 -2.99 114.93 115.55 2jiq h MET 433 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2jiq h MET 433 Cb -0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2jiq h MET 433 CO -0.08 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.32 2jiq n SER 434 N -2.42 5.45 -4.68 1.22 7.64 -0.87 -4.94 113.62 115.02 2jiq n SER 434 Ca 0.02 -2.83 -0.45 0.00 1.01 0.00 0.00 58.87 56.62 2jiq n SER 434 Cb 0.29 -0.66 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 2jiq n SER 434 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jiq n HIS 435 N 0.69 2.42 0.24 1.43 -0.00 -1.13 -4.83 115.22 114.04 2jiq n HIS 435 Ca 0.27 -0.09 0.18 0.00 0.46 0.00 0.00 57.72 58.54 2jiq n HIS 435 Cb 1.12 -2.70 0.84 0.00 -0.12 0.00 0.00 29.99 29.13 2jiq n HIS 435 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2jiq h PRO 436 N 9.06 0.00 -0.14 1.57 0.11 -1.93 -1.39 132.00 139.27 2jiq h PRO 436 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jiq h PRO 436 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jiq h PRO 436 CO 0.94 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 2jiq n GLU 437 N -3.35 2.33 -2.53 1.05 -0.58 -1.26 -4.94 120.64 111.36 2jiq n GLU 437 Ca 0.01 -1.59 -0.41 0.00 -0.42 0.00 0.00 57.16 54.75 2jiq n GLU 437 Cb 0.41 -1.13 -0.04 0.00 -0.57 0.00 0.00 31.44 30.11 2jiq n GLU 437 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2jiq s SER 438 N -0.90 7.29 -0.40 1.62 1.04 -0.53 -4.89 113.70 116.93 2jiq s SER 438 Ca 0.11 2.07 -0.08 0.00 0.48 0.00 0.00 55.95 58.52 2jiq s SER 438 Cb 0.06 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.65 2jiq s SER 438 CO 0.08 -0.21 0.23 0.12 0.98 0.00 0.00 173.24 174.44 2jiq s PHE 439 N -0.24 3.34 -0.28 5.02 5.36 0.96 -4.99 117.98 127.16 2jiq s PHE 439 Ca 0.49 -1.57 -0.10 0.00 -0.96 0.00 0.00 56.93 54.79 2jiq s PHE 439 Cb -0.29 -2.86 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 2jiq s PHE 439 CO 0.34 -0.83 0.17 0.42 -1.46 0.00 0.00 175.22 173.86 2jiq s ILE 440 N 1.40 5.09 -0.28 3.12 1.01 -1.26 -1.67 121.20 128.60 2jiq s ILE 440 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 2jiq s ILE 440 Cb -0.22 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2jiq s ILE 440 CO 0.02 0.24 0.17 -0.69 0.00 0.00 0.00 174.94 174.68 2jiq s VAL 441 N 1.72 5.08 -0.17 2.92 1.01 0.11 -0.84 120.40 130.24 2jiq s VAL 441 Ca 0.07 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2jiq s VAL 441 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2jiq s VAL 441 CO 0.09 0.23 0.06 0.00 0.00 0.00 0.00 175.10 175.48 2jiq s ILE 443 N 0.20 4.75 -0.05 0.00 1.01 -0.63 -0.34 121.20 126.14 2jiq s ILE 443 Ca 0.04 -1.45 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 2jiq s ILE 443 Cb -0.12 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.40 2jiq s ILE 443 CO 0.01 -0.70 0.10 -0.70 0.00 0.00 0.00 174.94 173.65 2jiq s GLU 444 N 1.51 0.02 0.39 2.79 2.56 -1.17 -2.94 118.70 121.86 2jiq s GLU 444 Ca 0.04 0.34 0.21 0.00 0.00 0.00 0.00 54.97 55.57 2jiq s GLU 444 Cb -0.26 -0.26 0.46 0.00 2.00 0.00 0.00 34.13 36.07 2jiq s GLU 444 CO 0.03 -0.21 1.63 0.00 -0.56 0.00 0.00 175.26 176.15 2jiq h ALA 445 N 7.58 0.89 -3.15 6.30 0.00 -1.86 -3.40 119.26 125.62 2jiq h ALA 445 Ca -0.36 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 2jiq h ALA 445 Cb 1.13 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.52 2jiq h ALA 445 CO 0.37 0.28 -0.82 -0.06 0.00 0.00 0.00 179.25 179.01 2jiq s PHE 446 N -3.26 1.91 -1.09 0.00 0.08 -1.26 -1.71 117.98 112.66 2jiq s PHE 446 Ca 0.04 -1.04 0.10 0.00 0.12 0.00 0.00 56.93 56.15 2jiq s PHE 446 Cb 0.07 -1.46 0.43 0.00 -0.57 0.00 0.00 43.02 41.49 2jiq s PHE 446 CO 0.68 -0.61 1.29 -0.35 -0.10 0.00 0.00 175.22 176.13 2jiq n PRO 447 N 4.81 0.03 0.00 0.24 -0.04 -1.26 -2.38 135.00 136.40 2jiq n PRO 447 Ca -0.15 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2jiq n PRO 447 Cb 0.50 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 2jiq n PRO 447 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jiq n ASP 448 N -1.46 2.75 -4.66 3.54 5.75 -1.26 -4.88 116.55 116.34 2jiq n ASP 448 Ca 0.03 -1.88 -0.47 0.00 -0.01 0.00 0.00 54.79 52.46 2jiq n ASP 448 Cb 0.11 0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.25 2jiq n ASP 448 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jiq n ALA 449 N 1.04 1.07 0.31 2.12 0.00 -1.00 -4.87 120.51 119.17 2jiq n ALA 449 Ca 0.13 0.21 0.20 0.00 0.00 0.00 0.00 53.44 53.97 2jiq n ALA 449 Cb 0.56 -2.57 0.93 0.00 0.00 0.00 0.00 19.45 18.37 2jiq n ALA 449 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2jiq h VAL 450 N 5.75 0.00 -0.64 0.00 3.04 -1.91 -2.28 116.25 120.20 2jiq h VAL 450 Ca -0.47 -0.26 -0.07 0.00 -1.01 0.00 0.00 66.70 64.89 2jiq h VAL 450 Cb 1.27 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 31.76 2jiq h VAL 450 CO 0.95 0.00 0.11 0.74 -1.01 0.00 0.00 177.57 178.37 2jiq h THR 451 N 0.00 1.26 -0.25 3.17 2.02 -1.89 -2.97 112.91 114.24 2jiq h THR 451 Ca 0.00 -0.99 0.07 0.00 0.77 0.00 0.00 66.41 66.26 2jiq h THR 451 Cb 0.26 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2jiq h THR 451 CO 0.00 0.37 0.46 -0.07 0.37 0.00 0.00 175.52 176.65 2jiq h LEU 452 N 0.98 0.00 -2.44 2.58 3.38 -1.79 0.47 115.31 118.49 2jiq h LEU 452 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2jiq h LEU 452 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jiq h LEU 452 CO 0.01 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 2jiq h GLU 453 N 0.00 0.00 0.00 1.13 5.08 -1.72 -2.67 114.58 116.41 2jiq h GLU 453 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jiq h GLU 453 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jiq h GLU 453 CO -0.00 0.00 -0.85 0.66 -1.00 0.00 0.00 179.01 177.82 2jiq n TYR 454 N -2.88 0.00 -2.28 4.33 4.01 0.16 -4.92 117.16 115.58 2jiq n TYR 454 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2jiq n TYR 454 Cb 0.09 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 2jiq n TYR 454 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jiq s ALA 455 N -2.47 3.46 -0.21 -0.72 0.00 -1.01 -4.73 121.76 116.09 2jiq s ALA 455 Ca 0.04 1.08 0.12 0.00 0.00 0.00 0.00 51.96 53.20 2jiq s ALA 455 Cb 0.11 -3.42 -0.21 0.00 0.00 0.00 0.00 23.12 19.59 2jiq s ALA 455 CO 0.59 -0.43 -0.02 -0.25 0.00 0.00 0.00 175.76 175.65 2jiq n ASP 456 N 1.36 0.84 -3.96 0.00 8.00 -0.02 -4.62 116.55 118.14 2jiq n ASP 456 Ca 0.01 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 2jiq n ASP 456 Cb 0.43 0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 41.92 2jiq n ASP 456 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jiq s LEU 457 N -5.73 1.59 -0.13 0.64 2.96 -0.81 -0.48 118.68 116.72 2jiq s LEU 457 Ca -0.17 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2jiq s LEU 457 Cb 0.07 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.22 2jiq s LEU 457 CO 0.72 0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.88 2jiq s VAL 458 N 0.55 1.83 -0.14 1.68 1.01 0.34 0.72 120.40 126.39 2jiq s VAL 458 Ca -0.09 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2jiq s VAL 458 Cb -0.12 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2jiq s VAL 458 CO 0.01 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.86 2jiq s LEU 459 N 0.90 3.56 -0.49 3.92 1.43 0.54 -1.00 118.68 127.55 2jiq s LEU 459 Ca -0.06 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 2jiq s LEU 459 Cb -0.15 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2jiq s LEU 459 CO -0.02 0.25 1.29 -2.16 0.23 0.00 0.00 176.35 175.94 2jiq s PRO 460 N -0.12 3.56 0.05 1.29 0.04 -1.26 -3.04 135.00 135.52 2jiq s PRO 460 Ca 0.05 0.62 -0.06 0.00 0.04 0.00 0.00 61.00 61.64 2jiq s PRO 460 Cb -0.13 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2jiq s PRO 460 CO 0.02 -1.59 0.31 -1.25 0.04 0.00 0.00 177.00 174.53 2jiq s PRO 461 N 4.89 3.61 0.24 0.56 0.04 -1.26 -1.77 135.00 141.31 2jiq s PRO 461 Ca 0.52 -0.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.19 2jiq s PRO 461 Cb -0.10 -3.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.32 2jiq s PRO 461 CO 0.30 0.59 1.58 0.00 0.04 0.00 0.00 177.00 179.51 2jiq s ALA 462 N -1.41 3.77 -0.20 8.56 0.00 0.33 -4.66 121.76 128.13 2jiq s ALA 462 Ca 0.32 1.48 -0.08 0.00 0.00 0.00 0.00 51.96 53.68 2jiq s ALA 462 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2jiq s ALA 462 CO 0.19 -0.88 0.09 0.12 0.00 0.00 0.00 175.76 175.29 2jiq s PHE 463 N 0.46 3.26 0.00 0.00 5.36 -1.26 -4.81 117.98 120.99 2jiq s PHE 463 Ca 0.66 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2jiq s PHE 463 Cb -0.46 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 2jiq s PHE 463 CO 0.40 0.09 0.00 1.87 -1.46 0.00 0.00 175.22 176.13 2jiq n TRP 464 N 3.86 0.00 0.33 10.12 -0.00 -1.26 -1.20 117.44 129.28 2jiq n TRP 464 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.36 2jiq n TRP 464 Cb 0.52 0.00 0.15 0.00 -0.00 0.00 0.00 31.31 31.98 2jiq n TRP 464 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jiq n GLU 466 N 0.23 0.01 -4.07 0.00 1.02 -0.34 -1.21 120.64 116.28 2jiq n GLU 466 Ca 0.10 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 2jiq n GLU 466 Cb 0.59 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2jiq n GLU 466 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jiq s ARG 467 N -3.01 1.60 0.23 3.49 3.03 -1.19 -4.29 118.95 118.81 2jiq s ARG 467 Ca 0.10 -1.51 -0.07 0.00 2.03 0.00 0.00 55.73 56.28 2jiq s ARG 467 Cb 0.13 0.42 -0.06 0.00 -1.03 0.00 0.00 34.95 34.41 2jiq s ARG 467 CO 0.39 -0.64 0.51 0.16 -1.13 0.00 0.00 175.30 174.58 2jiq s ASP 468 N -3.12 6.54 0.00 -2.89 -4.77 -1.26 -4.22 116.67 106.94 2jiq s ASP 468 Ca 0.29 0.77 0.00 0.00 -3.30 0.00 0.00 52.55 50.31 2jiq s ASP 468 Cb 0.01 -2.16 0.00 0.00 -1.09 0.00 0.00 42.92 39.68 2jiq s ASP 468 CO 0.14 -0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.54 2jiq n GLY 469 N -0.33 0.78 3.84 2.12 0.00 -0.87 -4.84 105.19 105.89 2jiq n GLY 469 Ca -0.01 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 2jiq n GLY 469 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jiq s VAL 470 N -2.00 5.23 -0.11 1.61 1.01 -1.26 -1.34 120.40 123.54 2jiq s VAL 470 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2jiq s VAL 470 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2jiq s VAL 470 CO 0.00 0.57 -0.19 -0.31 0.00 0.00 0.00 175.10 175.16 2jiq s TYR 471 N -1.05 2.65 -0.23 5.22 2.02 -0.41 -1.65 117.35 123.92 2jiq s TYR 471 Ca 0.17 -0.83 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 2jiq s TYR 471 Cb -0.12 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 2jiq s TYR 471 CO 0.06 -0.30 0.04 0.20 -1.57 0.00 0.00 175.55 173.98 2jiq s GLY 472 N 0.26 1.75 0.00 0.71 0.00 -1.26 -0.50 107.32 108.28 2jiq s GLY 472 Ca -0.13 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2jiq s GLY 472 CO 0.07 0.40 0.00 0.00 0.00 0.00 0.00 173.10 173.57 2jiq n GLY 474 N 5.00 -0.95 0.89 0.00 0.00 -1.14 -3.26 105.19 105.73 2jiq n GLY 474 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.99 2jiq n GLY 474 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jiq n GLU 475 N -1.16 2.03 -0.98 1.61 2.13 -1.26 -4.69 120.64 118.31 2jiq n GLU 475 Ca 0.15 -1.87 0.00 0.00 0.66 0.00 0.00 57.16 56.10 2jiq n GLU 475 Cb 0.15 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2jiq n GLU 475 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jiq n ARG 476 N 1.21 -0.19 -2.82 5.31 1.74 -1.20 -4.78 116.66 115.93 2jiq n ARG 476 Ca 0.14 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.85 2jiq n ARG 476 Cb 0.53 -3.13 -0.03 0.00 -1.02 0.00 0.00 32.46 28.81 2jiq n ARG 476 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jiq s ARG 477 N -0.23 4.30 -0.37 5.56 3.52 -1.26 -2.20 118.95 128.28 2jiq s ARG 477 Ca 0.00 1.13 -0.12 0.00 -0.13 0.00 0.00 55.73 56.61 2jiq s ARG 477 Cb 0.00 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.82 2jiq s ARG 477 CO 0.00 -0.39 0.23 0.71 -0.81 0.00 0.00 175.30 175.04 2jiq s TYR 478 N 2.35 3.23 -0.00 5.12 2.02 0.49 -1.41 117.35 129.15 2jiq s TYR 478 Ca 0.41 -0.70 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 2jiq s TYR 478 Cb -0.17 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 2jiq s TYR 478 CO 0.12 -0.57 -0.14 -1.12 -1.57 0.00 0.00 175.55 172.27 2jiq s SER 479 N 1.62 4.06 0.10 2.29 0.01 0.35 -2.01 113.70 120.12 2jiq s SER 479 Ca 0.04 -0.27 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 2jiq s SER 479 Cb -0.19 -0.80 -0.07 0.00 0.21 0.00 0.00 66.02 65.17 2jiq s SER 479 CO 0.08 0.30 0.52 -0.22 0.41 0.00 0.00 173.24 174.33 2jiq s LEU 480 N -1.15 4.41 -0.17 2.44 2.96 -1.26 -1.28 118.68 124.63 2jiq s LEU 480 Ca 0.14 1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2jiq s LEU 480 Cb -0.11 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 2jiq s LEU 480 CO 0.04 0.19 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.28 2jiq s THR 481 N -1.30 3.26 0.45 3.68 2.01 -0.45 -4.12 115.64 119.17 2jiq s THR 481 Ca 0.33 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2jiq s THR 481 Cb -0.16 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.93 2jiq s THR 481 CO 0.18 0.48 0.67 -1.61 -0.69 0.00 0.00 174.62 173.65 2jiq s GLU 482 N 0.78 3.01 -0.07 4.92 2.02 -0.80 -2.05 118.70 126.52 2jiq s GLU 482 Ca -0.03 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2jiq s GLU 482 Cb -0.15 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 2jiq s GLU 482 CO 0.01 -0.29 1.01 0.21 0.02 0.00 0.00 175.26 176.22 2jiq s LYS 483 N -4.55 4.46 -0.23 1.61 2.20 -1.26 -4.75 119.74 117.24 2jiq s LYS 483 Ca 0.49 1.42 0.07 0.00 -0.36 0.00 0.00 55.97 57.59 2jiq s LYS 483 Cb -0.10 -3.51 -0.18 0.00 -1.51 0.00 0.00 37.83 32.53 2jiq s LYS 483 CO 0.37 -0.23 -0.13 0.00 -0.36 0.00 0.00 175.35 175.00 2jiq n ALA 484 N 4.64 1.49 -2.34 3.13 0.00 -0.35 -5.02 120.51 122.06 2jiq n ALA 484 Ca 0.08 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 2jiq n ALA 484 Cb 0.49 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 2jiq n ALA 484 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jiq s VAL 485 N -2.48 0.16 0.46 0.00 -7.23 -1.22 -4.90 120.40 105.18 2jiq s VAL 485 Ca -0.25 -1.54 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 2jiq s VAL 485 Cb 0.08 -1.56 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 2jiq s VAL 485 CO 0.63 -0.72 1.10 -1.81 -0.31 0.00 0.00 175.10 173.99 2jiq s ASP 486 N -2.92 6.33 0.31 4.85 1.01 -1.26 -4.31 116.67 120.69 2jiq s ASP 486 Ca 0.10 2.13 -0.29 0.00 0.71 0.00 0.00 52.55 55.20 2jiq s ASP 486 Cb 0.06 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 2jiq s ASP 486 CO -0.08 -0.79 1.24 -2.84 0.21 0.00 0.00 175.17 172.91 2jiq s PRO 487 N -2.81 4.45 0.93 8.23 0.02 -1.26 -4.93 135.00 139.63 2jiq s PRO 487 Ca 0.64 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 2jiq s PRO 487 Cb -0.23 -3.11 0.15 0.00 0.02 0.00 0.00 34.50 31.32 2jiq s PRO 487 CO 0.28 -0.05 1.09 -1.25 -0.33 0.00 0.00 177.00 176.74 2jiq s PRO 488 N -1.66 0.97 2.59 5.54 0.04 -1.26 -4.75 135.00 136.46 2jiq s PRO 488 Ca 0.47 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2jiq s PRO 488 Cb -0.37 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2jiq s PRO 488 CO 0.49 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.52 2jiq n GLY 489 N -1.06 2.74 1.75 0.56 0.00 -1.26 -2.24 105.19 105.68 2jiq n GLY 489 Ca 0.06 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 2jiq n GLY 489 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jiq n GLN 490 N 14.00 2.19 -2.22 1.61 6.02 0.65 -5.02 117.38 134.61 2jiq n GLN 490 Ca 0.00 -3.20 -0.42 0.00 -0.01 0.00 0.00 57.00 53.37 2jiq n GLN 490 Cb 0.00 -2.03 -0.03 0.00 1.02 0.00 0.00 30.24 29.20 2jiq n GLN 490 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jiq s ARG 492 N 0.51 1.56 0.33 0.00 0.52 -0.73 -4.60 118.95 116.54 2jiq s ARG 492 Ca 0.60 -1.60 -0.28 0.00 -0.52 0.00 0.00 55.73 53.93 2jiq s ARG 492 Cb -0.36 -1.81 -0.10 0.00 0.52 0.00 0.00 34.95 33.21 2jiq s ARG 492 CO 0.34 0.37 1.19 -2.14 0.02 0.00 0.00 175.30 175.08 2jiq s PRO 493 N -2.93 4.39 0.49 3.54 0.02 -1.26 -0.52 135.00 138.74 2jiq s PRO 493 Ca 0.23 1.95 0.22 0.00 0.02 0.00 0.00 61.00 63.42 2jiq s PRO 493 Cb -0.07 -3.01 1.28 0.00 0.02 0.00 0.00 34.50 32.73 2jiq s PRO 493 CO 0.11 -0.06 2.05 1.15 -0.33 0.00 0.00 177.00 179.92 2jiq h THR 494 N 2.86 0.82 0.05 0.99 2.02 -1.96 -2.16 112.91 115.54 2jiq h THR 494 Ca -0.48 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.18 2jiq h THR 494 Cb 1.22 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 2jiq h THR 494 CO 0.65 0.14 -0.08 0.58 0.37 0.00 0.00 175.52 177.18 2jiq h VAL 495 N 0.00 0.82 -0.38 3.16 2.07 -1.94 0.12 116.25 120.09 2jiq h VAL 495 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2jiq h VAL 495 Cb 0.30 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2jiq h VAL 495 CO 0.02 0.00 0.01 0.78 0.02 0.00 0.00 177.57 178.39 2jiq h ASN 496 N -0.16 0.66 -0.61 0.57 4.21 -1.82 -2.49 115.58 115.93 2jiq h ASN 496 Ca 0.01 -0.30 0.12 0.00 1.21 0.00 0.00 56.30 57.34 2jiq h ASN 496 Cb 0.17 -0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 37.10 2jiq h ASN 496 CO -0.04 0.80 0.10 0.74 -1.29 0.00 0.00 177.43 177.74 2jiq h THR 497 N 0.50 0.60 -0.36 2.81 2.02 -1.26 -1.77 112.91 115.44 2jiq h THR 497 Ca 0.11 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 2jiq h THR 497 Cb 0.46 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2jiq h THR 497 CO 0.02 0.04 -0.07 -0.07 0.37 0.00 0.00 175.52 175.81 2jiq h LEU 498 N 0.23 0.57 -0.28 2.58 3.38 -0.61 -2.04 115.31 119.15 2jiq h LEU 498 Ca 0.33 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2jiq h LEU 498 Cb 0.50 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jiq h LEU 498 CO -0.44 0.69 -0.34 0.58 0.09 0.00 0.00 178.44 179.02 2jiq h VAL 499 N 0.55 1.30 -0.36 1.22 2.07 -1.03 -2.12 116.25 117.89 2jiq h VAL 499 Ca 0.11 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 2jiq h VAL 499 Cb 0.46 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2jiq h VAL 499 CO 0.02 0.49 -0.10 -0.08 0.02 0.00 0.00 177.57 177.93 2jiq h GLU 500 N 0.46 0.70 0.14 1.57 4.57 -1.28 -1.87 114.58 118.87 2jiq h GLU 500 Ca 0.04 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 57.96 2jiq h GLU 500 Cb 0.93 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.43 2jiq h GLU 500 CO 0.08 0.86 -0.44 0.35 -1.18 0.00 0.00 179.01 178.68 2jiq h PHE 501 N 0.49 -1.24 -0.69 0.92 3.57 -1.42 -0.56 116.94 118.01 2jiq h PHE 501 Ca 0.09 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.77 2jiq h PHE 501 Cb 0.61 0.52 -0.12 0.00 2.79 0.00 0.00 35.95 39.75 2jiq h PHE 501 CO 0.05 -0.54 -0.05 0.00 -2.23 0.00 0.00 178.31 175.55 2jiq h ALA 502 N -0.26 0.64 -0.18 2.41 0.00 -1.33 -0.16 119.26 120.38 2jiq h ALA 502 Ca 0.01 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2jiq h ALA 502 Cb 0.70 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jiq h ALA 502 CO -0.24 -0.41 -0.03 0.00 0.00 0.00 0.00 179.25 178.57 2jiq h ARG 503 N 0.08 0.33 0.00 0.00 3.08 -1.10 -0.58 114.38 116.19 2jiq h ARG 503 Ca 0.36 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2jiq h ARG 503 Cb 0.60 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2jiq h ARG 503 CO -0.63 0.58 -0.03 0.00 -1.07 0.00 0.00 179.97 178.82 2jiq h ARG 504 N 0.05 0.00 -0.64 0.04 3.08 -0.65 -2.09 114.38 114.17 2jiq h ARG 504 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jiq h ARG 504 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2jiq h ARG 504 CO 0.01 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 2jiq n ALA 505 N -2.12 3.07 -0.96 0.04 0.00 -0.11 -4.71 120.51 115.72 2jiq n ALA 505 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.30 2jiq n ALA 505 Cb 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2jiq n ALA 505 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jiq n GLY 506 N 0.74 0.55 3.74 0.00 0.00 -0.78 -4.80 105.19 104.63 2jiq n GLY 506 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2jiq n GLY 506 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jiq n VAL 507 N -2.46 2.21 -1.78 1.61 0.31 -0.25 -4.89 118.33 113.08 2jiq n VAL 507 Ca 0.00 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 2jiq n VAL 507 Cb 0.06 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 2jiq n VAL 507 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jiq s ASP 508 N -0.30 6.46 0.54 4.52 2.15 -1.26 -4.58 116.67 124.20 2jiq s ASP 508 Ca 0.56 2.72 0.26 0.00 0.43 0.00 0.00 52.55 56.52 2jiq s ASP 508 Cb -0.51 -2.58 1.42 0.00 -0.30 0.00 0.00 42.92 40.96 2jiq s ASP 508 CO 0.61 -0.96 1.99 -0.65 -0.17 0.00 0.00 175.17 176.00 2jiq h PRO 509 N 7.97 0.00 -0.52 4.34 0.11 -1.95 0.26 132.00 142.21 2jiq h PRO 509 Ca -0.44 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 2jiq h PRO 509 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2jiq h PRO 509 CO 0.94 0.00 0.35 1.96 -0.21 0.00 0.00 178.00 181.04 2jiq h GLN 510 N 0.00 0.59 -0.07 1.05 1.08 -1.99 -3.12 115.11 112.65 2jiq h GLN 510 Ca 0.24 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2jiq h GLN 510 Cb 1.00 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 2jiq h GLN 510 CO -0.00 0.39 -0.44 -0.07 -0.95 0.00 0.00 178.83 177.76 2jiq h LEU 511 N 0.61 0.16 -4.24 1.46 4.07 -0.81 -3.26 115.31 113.30 2jiq h LEU 511 Ca 0.21 -0.07 -0.58 0.00 0.08 0.00 0.00 57.88 57.52 2jiq h LEU 511 Cb 0.07 -0.04 -0.42 0.00 1.08 0.00 0.00 40.66 41.35 2jiq h LEU 511 CO -0.05 0.58 -0.69 1.33 -1.08 0.00 0.00 178.44 178.53 2jiq n VAL 512 N -4.01 2.48 -1.76 1.22 0.24 -1.18 -4.96 118.33 110.36 2jiq n VAL 512 Ca -0.02 -4.62 -0.41 0.00 -2.04 0.00 0.00 64.34 57.25 2jiq n VAL 512 Cb 0.49 -1.22 -0.01 0.00 -1.47 0.00 0.00 33.84 31.63 2jiq n VAL 512 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jiq n ASN 513 N -0.57 5.67 -3.85 -1.34 5.15 -1.19 -4.87 115.26 114.25 2jiq n ASN 513 Ca 0.42 -2.85 -0.17 0.00 -0.60 0.00 0.00 54.58 51.37 2jiq n ASN 513 Cb 0.76 -1.57 -0.16 0.00 -0.53 0.00 0.00 39.78 38.28 2jiq n ASN 513 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jiq s PHE 514 N 2.03 0.43 -0.17 1.20 2.99 -1.26 -4.92 117.98 118.28 2jiq s PHE 514 Ca 0.52 -0.06 0.22 0.00 0.00 0.00 0.00 56.93 57.61 2jiq s PHE 514 Cb 0.15 -0.45 -0.26 0.00 0.00 0.00 0.00 43.02 42.46 2jiq s PHE 514 CO -0.07 -0.13 0.63 2.89 -0.00 0.00 0.00 175.22 178.55 2jiq n ARG 515 N 3.96 0.58 -3.80 0.44 1.85 -1.26 -4.98 116.66 113.45 2jiq n ARG 515 Ca -0.25 -0.12 -0.06 0.00 -1.00 0.00 0.00 57.85 56.41 2jiq n ARG 515 Cb 0.51 -1.57 0.03 0.00 -1.05 0.00 0.00 32.46 30.38 2jiq n ARG 515 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2jiq n ASN 516 N -2.24 -2.03 0.18 2.89 0.23 -1.26 -4.90 115.26 108.12 2jiq n ASN 516 Ca -0.02 -2.27 0.03 0.00 -0.53 0.00 0.00 54.58 51.79 2jiq n ASN 516 Cb 0.54 3.35 0.33 0.00 -2.08 0.00 0.00 39.78 41.91 2jiq n ASN 516 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jiq h ALA 517 N 2.00 1.12 -0.38 -2.53 0.00 -1.96 -3.10 119.26 114.41 2jiq h ALA 517 Ca -0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 2jiq h ALA 517 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jiq h ALA 517 CO 0.39 0.53 0.01 1.49 0.00 0.00 0.00 179.25 181.68 2jiq h GLU 518 N 0.00 0.59 -0.17 0.00 4.81 -1.97 -1.07 114.58 116.76 2jiq h GLU 518 Ca -0.00 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 2jiq h GLU 518 Cb 0.84 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2jiq h GLU 518 CO 0.06 0.60 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.90 2jiq h ASP 519 N 0.56 0.65 0.50 1.04 3.32 -1.94 -2.19 116.42 118.36 2jiq h ASP 519 Ca 0.12 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 2jiq h ASP 519 Cb 0.34 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2jiq h ASP 519 CO 0.01 1.10 -0.61 -0.37 -1.72 0.00 0.00 179.24 177.64 2jiq h VAL 520 N 0.43 1.42 -0.07 -1.35 -1.51 -1.52 -2.47 116.25 111.18 2jiq h VAL 520 Ca -0.00 -2.06 -0.00 0.00 -1.23 0.00 0.00 66.70 63.41 2jiq h VAL 520 Cb 1.16 2.08 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 2jiq h VAL 520 CO 0.11 0.60 0.03 -0.25 -1.23 0.00 0.00 177.57 176.83 2jiq h TRP 521 N 0.08 0.11 -0.33 5.19 2.91 -1.10 0.93 115.95 123.73 2jiq h TRP 521 Ca -0.01 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 2jiq h TRP 521 Cb 1.10 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.70 2jiq h TRP 521 CO 0.01 0.20 0.18 -0.91 -1.03 0.00 0.00 178.44 176.89 2jiq h ASN 522 N -0.01 0.40 -0.14 2.65 2.35 -1.40 0.25 115.58 119.68 2jiq h ASN 522 Ca 0.03 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 2jiq h ASN 522 Cb 0.13 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jiq h ASN 522 CO -0.00 0.32 -0.45 -0.08 -1.65 0.00 0.00 177.43 175.57 2jiq h GLU 523 N 0.46 0.55 -0.59 0.81 4.81 -0.93 -3.08 114.58 116.60 2jiq h GLU 523 Ca 0.12 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2jiq h GLU 523 Cb 0.02 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2jiq h GLU 523 CO -0.02 1.03 0.36 2.35 -0.73 0.00 0.00 179.01 182.00 2jiq h TRP 524 N 0.17 0.67 -0.99 0.92 -0.00 -0.51 -2.27 115.95 113.94 2jiq h TRP 524 Ca -0.02 0.02 0.23 0.00 -0.00 0.00 0.00 58.89 59.12 2jiq h TRP 524 Cb 1.08 -0.22 -0.12 0.00 -0.00 0.00 0.00 29.16 29.90 2jiq h TRP 524 CO 0.10 0.38 0.58 0.00 -0.00 0.00 0.00 178.44 179.51 2jiq h ARG 525 N 0.71 0.60 -0.33 2.65 3.08 -0.55 -1.90 114.38 118.64 2jiq h ARG 525 Ca 0.24 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 2jiq h ARG 525 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2jiq h ARG 525 CO -0.10 0.40 -0.24 1.98 -1.07 0.00 0.00 179.97 180.94 2jiq h MET 526 N 0.62 0.74 0.00 0.04 4.05 -1.34 -3.00 114.93 116.05 2jiq h MET 526 Ca 0.62 -0.36 -0.04 0.00 -0.28 0.00 0.00 59.70 59.64 2jiq h MET 526 Cb 1.11 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 2jiq h MET 526 CO -0.45 0.98 -0.17 0.28 0.23 0.00 0.00 176.91 177.78 2jiq h VAL 527 N 0.52 0.81 0.00 -5.77 2.07 -0.84 -2.19 116.25 110.84 2jiq h VAL 527 Ca 0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2jiq h VAL 527 Cb 0.79 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2jiq h VAL 527 CO 0.06 0.16 -0.42 -1.54 0.02 0.00 0.00 177.57 175.86 2jiq n SER 528 N -3.89 0.72 -4.71 0.57 3.41 -0.84 -4.83 113.62 104.06 2jiq n SER 528 Ca -0.02 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.43 2jiq n SER 528 Cb 0.26 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2jiq n SER 528 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jiq s LYS 529 N -3.14 4.30 0.00 4.33 2.20 -0.83 -2.08 119.74 124.52 2jiq s LYS 529 Ca 0.08 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2jiq s LYS 529 Cb 0.13 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2jiq s LYS 529 CO 0.68 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 2jiq n GLY 530 N 3.57 0.89 3.99 5.54 0.00 -1.26 -5.01 105.19 112.91 2jiq n GLY 530 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2jiq n GLY 530 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jiq s THR 531 N -3.53 2.23 -1.86 2.61 -4.23 -0.88 -4.99 115.64 104.99 2jiq s THR 531 Ca 0.00 -1.14 0.29 0.00 -1.18 0.00 0.00 61.69 59.67 2jiq s THR 531 Cb 0.00 -2.36 0.58 0.00 1.34 0.00 0.00 72.50 72.06 2jiq s THR 531 CO 0.00 0.00 1.94 0.35 -0.54 0.00 0.00 174.62 176.37 2jiq n THR 532 N -2.01 0.00 1.18 3.99 -2.24 -1.26 -1.70 114.28 112.23 2jiq n THR 532 Ca 0.10 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 2jiq n THR 532 Cb 0.62 -0.11 0.24 0.00 -2.10 0.00 0.00 70.33 68.98 2jiq n THR 532 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2jiq n TYR 533 N -0.79 0.00 -0.64 4.78 4.01 -1.26 -4.57 117.16 118.69 2jiq n TYR 533 Ca 0.17 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.67 2jiq n TYR 533 Cb 0.25 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 2jiq n TYR 533 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2jiq n ASP 534 N -0.06 0.26 -1.22 7.72 -0.08 -0.69 -4.72 116.55 117.76 2jiq n ASP 534 Ca 0.13 0.22 -0.03 0.00 -1.51 0.00 0.00 54.79 53.59 2jiq n ASP 534 Cb 0.42 -0.43 0.13 0.00 2.34 0.00 0.00 41.12 43.58 2jiq n ASP 534 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2jiq n PHE 535 N 4.13 0.85 0.21 -0.67 1.16 -1.26 -0.83 117.46 121.05 2jiq n PHE 535 Ca 0.28 -1.64 0.13 0.00 -1.87 0.00 0.00 57.45 54.35 2jiq n PHE 535 Cb -0.00 -0.26 0.72 0.00 -1.61 0.00 0.00 39.48 38.32 2jiq n PHE 535 CO 0.00 0.00 0.00 2.35 -1.87 0.00 0.00 176.76 177.24 2jiq h TRP 536 N 1.42 0.00 0.00 2.97 7.01 -1.73 -1.03 115.95 124.59 2jiq h TRP 536 Ca 0.07 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.07 2jiq h TRP 536 Cb 1.26 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.32 2jiq h TRP 536 CO 0.71 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.77 2jiq n GLY 537 N -1.51 -0.95 3.15 2.65 0.00 -0.11 -4.38 105.19 104.03 2jiq n GLY 537 Ca -0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2jiq n GLY 537 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jiq n MET 538 N -1.23 3.55 -1.99 1.61 2.81 -0.39 -4.44 117.12 117.04 2jiq n MET 538 Ca 0.12 -3.75 -0.31 0.00 -1.81 0.00 0.00 57.70 51.95 2jiq n MET 538 Cb 0.16 -2.95 0.01 0.00 -0.71 0.00 0.00 33.22 29.73 2jiq n MET 538 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jiq s THR 539 N 0.71 4.72 0.27 2.03 -4.23 -1.26 -4.86 115.64 113.02 2jiq s THR 539 Ca 0.40 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 2jiq s THR 539 Cb 0.03 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 70.26 2jiq s THR 539 CO 0.01 -1.09 1.77 0.03 -0.54 0.00 0.00 174.62 174.80 2jiq h ARG 540 N -0.19 0.66 -0.68 3.99 2.47 -1.95 -1.79 114.38 116.90 2jiq h ARG 540 Ca -0.44 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.30 2jiq h ARG 540 Cb 1.19 -0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 29.31 2jiq h ARG 540 CO 0.62 0.44 0.38 1.49 0.56 0.00 0.00 179.97 183.46 2jiq h GLU 541 N 0.68 0.68 0.00 0.04 4.81 -1.99 0.54 114.58 119.33 2jiq h GLU 541 Ca 0.48 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2jiq h GLU 541 Cb 0.67 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jiq h GLU 541 CO -0.35 0.45 -0.93 0.07 -0.73 0.00 0.00 179.01 177.51 2jiq h ARG 542 N 0.70 0.00 -0.23 1.92 0.11 -1.83 -3.07 114.38 111.98 2jiq h ARG 542 Ca 0.31 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.30 2jiq h ARG 542 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 2jiq h ARG 542 CO -0.19 0.01 -0.25 -0.07 0.10 0.00 0.00 179.97 179.57 2jiq h LEU 543 N 0.00 0.42 -1.13 0.08 3.38 -1.04 0.13 115.31 117.15 2jiq h LEU 543 Ca -0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2jiq h LEU 543 Cb 1.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2jiq h LEU 543 CO 0.00 0.67 -0.07 -0.09 0.09 0.00 0.00 178.44 179.04 2jiq h ARG 544 N 0.38 0.52 0.04 1.13 2.43 -0.90 -3.34 114.38 114.65 2jiq h ARG 544 Ca 0.06 -0.13 -0.38 0.00 -0.81 0.00 0.00 59.98 58.72 2jiq h ARG 544 Cb 0.64 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 2jiq h ARG 544 CO 0.05 0.60 -2.20 1.63 -1.51 0.00 0.00 179.97 178.54 2jiq n LYS 545 N -4.23 0.67 -1.76 0.20 5.02 -1.11 -4.96 118.16 111.99 2jiq n LYS 545 Ca 0.01 0.24 -0.31 0.00 -2.02 0.00 0.00 58.31 56.24 2jiq n LYS 545 Cb 0.29 -1.61 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2jiq n LYS 545 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jiq s GLU 546 N -2.52 2.97 -1.06 1.97 0.41 0.44 -4.98 118.70 115.93 2jiq s GLU 546 Ca -0.30 0.68 -0.02 0.00 -0.41 0.00 0.00 54.97 54.91 2jiq s GLU 546 Cb 0.09 -2.02 0.31 0.00 -1.78 0.00 0.00 34.13 30.73 2jiq s GLU 546 CO 0.65 -1.00 1.73 0.43 -0.49 0.00 0.00 175.26 176.58 2jiq n SER 547 N -3.02 7.03 0.00 -0.19 7.64 -1.26 -4.76 113.62 119.05 2jiq n SER 547 Ca 0.07 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.38 2jiq n SER 547 Cb 0.55 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2jiq n SER 547 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jiq n GLY 548 N 0.53 -0.11 3.35 0.23 0.00 -1.26 -4.58 105.19 103.35 2jiq n GLY 548 Ca 0.40 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 2jiq n GLY 548 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jiq s LEU 549 N -1.13 2.32 -0.16 0.99 1.43 -0.85 -4.93 118.68 116.36 2jiq s LEU 549 Ca 0.00 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 2jiq s LEU 549 Cb 0.00 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2jiq s LEU 549 CO 0.00 0.12 -0.03 -0.63 0.23 0.00 0.00 176.35 176.03 2jiq s ILE 550 N -1.18 3.90 0.49 -0.59 1.01 -1.26 -0.38 121.20 123.18 2jiq s ILE 550 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 2jiq s ILE 550 Cb -0.10 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2jiq s ILE 550 CO 0.05 0.49 0.78 -1.66 0.00 0.00 0.00 174.94 174.60 2jiq s TRP 551 N 0.44 3.48 0.46 3.97 1.48 -0.93 -1.03 118.94 126.81 2jiq s TRP 551 Ca -0.03 0.71 -0.23 0.00 -1.06 0.00 0.00 56.10 55.49 2jiq s TRP 551 Cb -0.14 -2.35 -0.09 0.00 -1.16 0.00 0.00 33.47 29.72 2jiq s TRP 551 CO 0.03 -0.35 0.99 -2.30 -4.06 0.00 0.00 176.95 171.26 2jiq n PRO 552 N -2.28 1.26 -3.03 3.25 -0.02 -1.26 -4.25 135.00 128.66 2jiq n PRO 552 Ca 0.01 0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 2jiq n PRO 552 Cb 0.56 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 2jiq n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jiq n PRO 554 N 1.75 0.06 -3.79 0.00 -0.02 -1.25 -0.94 135.00 130.82 2jiq n PRO 554 Ca 0.18 0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 2jiq n PRO 554 Cb 0.56 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.49 2jiq n PRO 554 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2jiq s SER 555 N -2.92 -0.10 0.58 2.55 1.04 -1.26 -4.15 113.70 109.43 2jiq s SER 555 Ca 0.13 -0.57 0.36 0.00 0.48 0.00 0.00 55.95 56.35 2jiq s SER 555 Cb 0.15 0.46 1.63 0.00 0.10 0.00 0.00 66.02 68.36 2jiq s SER 555 CO 0.41 -0.89 2.08 -0.33 0.98 0.00 0.00 173.24 175.49 2jiq h GLU 556 N 2.44 0.00 -0.54 4.02 5.08 -1.89 -0.49 114.58 123.21 2jiq h GLU 556 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2jiq h GLU 556 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2jiq h GLU 556 CO 0.47 0.01 0.00 -0.40 -1.00 0.00 0.00 179.01 178.08 2jiq n ASP 557 N -3.11 3.18 -4.73 1.42 5.75 -1.26 -4.92 116.55 112.88 2jiq n ASP 557 Ca -0.00 -1.98 -0.40 0.00 -0.01 0.00 0.00 54.79 52.40 2jiq n ASP 557 Cb 0.25 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 2jiq n ASP 557 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2jiq s HIS 558 N -1.29 3.62 0.22 2.11 2.46 -0.19 -4.98 115.29 117.24 2jiq s HIS 558 Ca 0.40 1.27 0.27 0.00 0.47 0.00 0.00 55.06 57.48 2jiq s HIS 558 Cb 0.21 -2.78 1.20 0.00 -0.13 0.00 0.00 32.58 31.08 2jiq s HIS 558 CO 0.28 0.15 1.94 -1.00 -2.47 0.00 0.00 174.74 173.65 2jiq h PRO 559 N 6.44 0.00 0.00 2.88 0.13 -1.91 -3.46 132.00 136.07 2jiq h PRO 559 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jiq h PRO 559 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jiq h PRO 559 CO 0.74 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 2jiq n GLY 560 N -0.13 2.27 3.28 1.56 0.00 -1.26 -4.68 105.19 106.22 2jiq n GLY 560 Ca -0.00 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2jiq n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jiq s THR 561 N -2.34 2.52 -0.12 2.61 2.01 -0.20 -4.96 115.64 115.16 2jiq s THR 561 Ca 0.00 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 2jiq s THR 561 Cb 0.00 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2jiq s THR 561 CO 0.00 0.54 -0.24 -1.20 -0.69 0.00 0.00 174.62 173.03 2jiq n SER 562 N 3.60 1.33 -4.40 3.53 7.64 -1.26 -4.46 113.62 119.60 2jiq n SER 562 Ca -0.19 0.22 -0.45 0.00 1.01 0.00 0.00 58.87 59.47 2jiq n SER 562 Cb 0.53 -0.66 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2jiq n SER 562 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jiq s LEU 563 N -6.99 5.41 0.37 -3.43 1.43 -1.26 -4.31 118.68 109.89 2jiq s LEU 563 Ca -0.20 -1.74 -0.27 0.00 -1.03 0.00 0.00 54.13 50.90 2jiq s LEU 563 Cb 0.03 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 2jiq s LEU 563 CO 0.29 -1.06 1.20 -0.13 0.23 0.00 0.00 176.35 176.88 2jiq s ARG 564 N 2.45 4.21 0.00 1.70 0.52 -0.80 -3.04 118.95 123.99 2jiq s ARG 564 Ca 0.19 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 2jiq s ARG 564 Cb -0.16 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.46 2jiq s ARG 564 CO 0.00 -0.22 0.00 0.66 0.02 0.00 0.00 175.30 175.76 2jiq n TYR 565 N 0.41 0.00 -3.64 -0.53 4.01 -1.26 -4.90 117.16 111.25 2jiq n TYR 565 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 2jiq n TYR 565 Cb 0.45 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 38.99 2jiq n TYR 565 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jiq s VAL 566 N -2.30 5.18 0.29 -0.72 1.01 -1.17 -1.40 120.40 121.30 2jiq s VAL 566 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 2jiq s VAL 566 Cb 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 2jiq s VAL 566 CO 0.00 0.29 1.28 -1.14 0.00 0.00 0.00 175.10 175.53 2jiq n ARG 567 N 4.80 1.94 -0.69 2.72 0.63 0.19 -1.33 116.66 124.92 2jiq n ARG 567 Ca -0.15 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 2jiq n ARG 567 Cb 0.52 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.17 2jiq n ARG 567 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jiq n GLY 568 N 1.34 0.94 0.73 5.14 0.00 -1.26 -4.73 105.19 107.34 2jiq n GLY 568 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2jiq n GLY 568 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jiq n GLN 569 N -2.00 0.18 -3.43 1.61 1.13 -0.44 -5.01 117.38 109.42 2jiq n GLN 569 Ca 0.00 0.08 -0.38 0.00 -1.94 0.00 0.00 57.00 54.76 2jiq n GLN 569 Cb 0.00 -0.81 -0.08 0.00 0.11 0.00 0.00 30.24 29.46 2jiq n GLN 569 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jiq s ASP 570 N -5.78 6.41 0.21 1.08 -1.08 -0.48 -4.71 116.67 112.34 2jiq s ASP 570 Ca -0.12 0.48 0.23 0.00 -0.52 0.00 0.00 52.55 52.62 2jiq s ASP 570 Cb 0.05 -2.21 0.92 0.00 -1.46 0.00 0.00 42.92 40.21 2jiq s ASP 570 CO 0.15 -0.04 1.69 -0.81 0.52 0.00 0.00 175.17 176.68 2jiq n PRO 571 N 4.31 0.17 0.00 4.34 -0.04 -1.26 -2.16 135.00 140.36 2jiq n PRO 571 Ca -0.09 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 63.88 2jiq n PRO 571 Cb 0.51 -1.81 0.72 0.00 -0.04 0.00 0.00 33.50 32.88 2jiq n PRO 571 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jiq s VAL 573 N -2.60 5.27 0.20 0.00 1.01 -0.92 -5.02 120.40 118.35 2jiq s VAL 573 Ca 0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.84 2jiq s VAL 573 Cb 0.19 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 2jiq s VAL 573 CO 0.44 0.08 1.70 -2.84 0.00 0.00 0.00 175.10 174.49 2jiq s PRO 574 N 1.73 4.14 0.45 2.72 0.02 -1.26 -4.59 135.00 138.21 2jiq s PRO 574 Ca 0.06 2.57 0.22 0.00 0.02 0.00 0.00 61.00 63.88 2jiq s PRO 574 Cb -0.17 -3.09 1.21 0.00 0.02 0.00 0.00 34.50 32.48 2jiq s PRO 574 CO 0.11 -0.73 1.83 0.00 -0.33 0.00 0.00 177.00 177.88 2jiq h ALA 575 N 6.77 2.43 -0.26 -1.55 0.00 -1.93 0.48 119.26 125.20 2jiq h ALA 575 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jiq h ALA 575 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jiq h ALA 575 CO 0.95 -0.75 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 2jiq n ASP 576 N -4.47 1.86 -4.66 0.00 5.75 -1.26 -4.89 116.55 108.88 2jiq n ASP 576 Ca 0.22 -1.84 -0.45 0.00 -0.01 0.00 0.00 54.79 52.70 2jiq n ASP 576 Cb 0.86 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 2jiq n ASP 576 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2jiq n HIS 577 N 0.47 2.10 0.25 2.11 -0.00 0.16 -4.86 115.22 115.45 2jiq n HIS 577 Ca 0.15 0.44 0.16 0.00 0.46 0.00 0.00 57.72 58.92 2jiq n HIS 577 Cb 0.33 -2.45 0.86 0.00 -0.12 0.00 0.00 29.99 28.61 2jiq n HIS 577 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2jiq h PRO 578 N 4.29 0.00 -6.63 1.57 0.13 -1.92 -3.44 132.00 125.99 2jiq h PRO 578 Ca -0.45 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 2jiq h PRO 578 Cb 1.28 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.16 2jiq h PRO 578 CO 0.76 0.00 -0.85 -0.51 -0.23 0.00 0.00 178.00 177.17 2jiq s ASP 579 N -6.04 3.43 0.38 1.44 1.01 -1.26 -5.06 116.67 110.57 2jiq s ASP 579 Ca -0.05 -0.49 0.09 0.00 0.71 0.00 0.00 52.55 52.81 2jiq s ASP 579 Cb 0.15 -0.45 0.78 0.00 1.01 0.00 0.00 42.92 44.41 2jiq s ASP 579 CO 0.55 0.27 1.93 0.08 0.21 0.00 0.00 175.17 178.22 2jiq h ARG 580 N 4.86 0.31 -6.20 8.23 0.11 -1.97 -3.43 114.38 116.29 2jiq h ARG 580 Ca -0.46 -0.06 -0.51 0.00 0.10 0.00 0.00 59.98 59.05 2jiq h ARG 580 Cb 1.14 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 32.13 2jiq h ARG 580 CO 0.46 0.39 -0.53 -0.06 0.10 0.00 0.00 179.97 180.33 2jiq s PHE 581 N -4.85 3.05 -0.29 4.08 0.08 -1.26 0.54 117.98 119.33 2jiq s PHE 581 Ca -0.06 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.90 2jiq s PHE 581 Cb 0.16 -1.43 0.19 0.00 -0.57 0.00 0.00 43.02 41.37 2jiq s PHE 581 CO 0.74 0.49 0.54 0.12 -0.10 0.00 0.00 175.22 177.01 2jiq s PHE 582 N -2.17 -1.63 -1.27 0.36 5.36 -0.49 -4.90 117.98 113.25 2jiq s PHE 582 Ca 0.34 0.91 -0.15 0.00 -0.96 0.00 0.00 56.93 57.06 2jiq s PHE 582 Cb -0.07 0.20 0.12 0.00 -0.34 0.00 0.00 43.02 42.93 2jiq s PHE 582 CO 0.25 -1.05 1.63 1.19 -1.46 0.00 0.00 175.22 175.77 2jiq n PHE 583 N 5.40 4.63 0.85 10.12 3.72 -0.71 -4.56 117.46 136.91 2jiq n PHE 583 Ca 0.04 -3.10 0.09 0.00 -0.05 0.00 0.00 57.45 54.43 2jiq n PHE 583 Cb 0.53 -2.37 0.45 0.00 -0.94 0.00 0.00 39.48 37.15 2jiq n PHE 583 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jiq n TYR 584 N 6.61 0.00 0.82 1.38 0.18 -1.26 -2.24 117.16 122.64 2jiq n TYR 584 Ca 0.43 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.33 2jiq n TYR 584 Cb 0.43 -0.27 0.52 0.00 -0.38 0.00 0.00 39.34 39.65 2jiq n TYR 584 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jiq n GLY 585 N 0.20 -1.43 3.58 -7.48 0.00 -1.25 -4.77 105.19 94.05 2jiq n GLY 585 Ca 0.09 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2jiq n GLY 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jiq s LYS 586 N -3.03 2.61 0.58 1.61 -0.14 -0.95 -4.42 119.74 116.00 2jiq s LYS 586 Ca 0.12 -0.66 0.27 0.00 -1.36 0.00 0.00 55.97 54.34 2jiq s LYS 586 Cb 0.16 -2.52 1.64 0.00 -1.68 0.00 0.00 37.83 35.43 2jiq s LYS 586 CO 0.48 0.63 2.15 -1.35 -0.76 0.00 0.00 175.35 176.50 2jiq h PRO 587 N 4.84 0.00 -0.26 -1.68 0.11 -1.86 -1.56 132.00 131.60 2jiq h PRO 587 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jiq h PRO 587 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jiq h PRO 587 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 2jiq n ASP 588 N -3.95 2.83 -0.25 -2.05 5.75 -1.26 -4.99 116.55 112.63 2jiq n ASP 588 Ca 0.00 -2.15 -0.03 0.00 -0.01 0.00 0.00 54.79 52.60 2jiq n ASP 588 Cb 0.24 -0.23 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 2jiq n ASP 588 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jiq n GLY 589 N 0.13 0.49 3.80 6.12 0.00 -0.59 -4.99 105.19 110.16 2jiq n GLY 589 Ca 0.10 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2jiq n GLY 589 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jiq s ARG 590 N -1.69 3.36 0.81 1.61 0.52 -1.26 -1.73 118.95 120.57 2jiq s ARG 590 Ca 0.00 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 54.86 2jiq s ARG 590 Cb 0.00 -3.08 0.08 0.00 0.52 0.00 0.00 34.95 32.47 2jiq s ARG 590 CO 0.00 0.71 1.16 0.00 0.02 0.00 0.00 175.30 177.19 2jiq s ALA 591 N -0.85 2.56 -0.07 2.13 0.00 -0.03 -4.74 121.76 120.75 2jiq s ALA 591 Ca 0.14 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.54 2jiq s ALA 591 Cb -0.12 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2jiq s ALA 591 CO 0.03 -1.68 -0.16 0.08 0.00 0.00 0.00 175.76 174.03 2jiq s VAL 592 N -3.50 1.43 -0.13 0.00 1.01 -0.34 -0.41 120.40 118.46 2jiq s VAL 592 Ca 0.62 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 2jiq s VAL 592 Cb -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2jiq s VAL 592 CO 0.50 0.42 0.47 -0.63 0.00 0.00 0.00 175.10 175.86 2jiq s ILE 593 N 0.51 5.19 -0.13 2.22 1.01 0.71 -4.70 121.20 126.01 2jiq s ILE 593 Ca -0.15 0.92 -0.00 0.00 0.00 0.00 0.00 60.65 61.42 2jiq s ILE 593 Cb -0.16 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2jiq s ILE 593 CO 0.05 0.32 -0.12 0.26 0.00 0.00 0.00 174.94 175.44 2jiq s TRP 594 N 0.72 2.83 -1.20 3.97 0.52 -1.26 -1.37 118.94 123.15 2jiq s TRP 594 Ca 0.25 -0.62 -0.11 0.00 0.02 0.00 0.00 56.10 55.63 2jiq s TRP 594 Cb -0.15 -1.86 0.20 0.00 -1.15 0.00 0.00 33.47 30.51 2jiq s TRP 594 CO 0.10 -0.20 1.45 -1.33 0.02 0.00 0.00 176.95 176.98 2jiq n MET 595 N 3.55 3.51 -2.72 4.98 2.81 -0.28 -4.84 117.12 124.12 2jiq n MET 595 Ca -0.18 -3.96 -0.42 0.00 -1.81 0.00 0.00 57.70 51.34 2jiq n MET 595 Cb 0.53 -2.90 -0.04 0.00 -0.71 0.00 0.00 33.22 30.10 2jiq n MET 595 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jiq s ARG 596 N 0.55 4.62 0.11 0.03 1.81 -1.26 -3.28 118.95 121.53 2jiq s ARG 596 Ca 0.39 1.43 -0.31 0.00 -1.72 0.00 0.00 55.73 55.52 2jiq s ARG 596 Cb -0.02 -3.42 -0.08 0.00 -0.45 0.00 0.00 34.95 30.98 2jiq s ARG 596 CO -0.01 0.07 1.46 -2.14 -0.68 0.00 0.00 175.30 174.01 2jiq s PRO 597 N 0.54 4.28 -0.04 3.54 0.02 -1.26 -4.96 135.00 137.12 2jiq s PRO 597 Ca 0.49 2.16 -0.28 0.00 0.02 0.00 0.00 61.00 63.39 2jiq s PRO 597 Cb -0.22 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 2jiq s PRO 597 CO 0.29 -0.53 0.91 0.00 -0.33 0.00 0.00 177.00 177.34 2jiq s ALA 598 N 1.44 3.25 0.00 -1.55 0.00 -1.26 -4.98 121.76 118.65 2jiq s ALA 598 Ca 0.67 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2jiq s ALA 598 Cb -0.38 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2jiq s ALA 598 CO 0.30 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.42 2jiq n LYS 599 N 4.08 0.00 0.00 0.00 5.02 -1.26 -4.99 118.16 121.01 2jiq n LYS 599 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2jiq n LYS 599 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2jiq n LYS 599 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jiq n GLY 600 N 2.33 3.21 3.83 0.72 0.00 -1.26 -4.70 105.19 109.32 2jiq n GLY 600 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 2jiq n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jiq s ALA 601 N -1.08 2.80 0.14 4.61 0.00 -1.26 -4.70 121.76 122.26 2jiq s ALA 601 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 2jiq s ALA 601 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.98 2jiq s ALA 601 CO 0.00 -1.04 1.64 0.00 0.00 0.00 0.00 175.76 176.36 2jiq h ALA 602 N -0.52 0.60 -3.03 0.00 0.00 -1.98 -3.35 119.26 110.97 2jiq h ALA 602 Ca -0.44 -0.20 -0.70 0.00 0.00 0.00 0.00 54.91 53.56 2jiq h ALA 602 Cb 1.20 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.49 2jiq h ALA 602 CO 0.58 0.29 -0.45 -2.00 0.00 0.00 0.00 179.25 177.68 2jiq s GLU 603 N -5.28 2.30 0.32 0.00 2.12 -1.26 -5.09 118.70 111.80 2jiq s GLU 603 Ca -0.13 -2.03 -0.23 0.00 0.36 0.00 0.00 54.97 52.95 2jiq s GLU 603 Cb 0.11 -3.72 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 2jiq s GLU 603 CO 0.78 -1.13 0.87 -1.21 -0.54 0.00 0.00 175.26 174.03 2jiq s GLU 604 N 0.82 4.39 0.99 4.30 0.41 -1.26 -3.03 118.70 125.33 2jiq s GLU 604 Ca 0.10 1.12 -0.15 0.00 -0.41 0.00 0.00 54.97 55.64 2jiq s GLU 604 Cb -0.22 -2.68 0.03 0.00 -1.78 0.00 0.00 34.13 29.47 2jiq s GLU 604 CO -0.03 0.25 0.19 -2.30 -0.49 0.00 0.00 175.26 172.88 2jiq n PRO 605 N 0.32 -0.53 -0.87 0.39 -0.02 -1.26 -4.68 135.00 128.35 2jiq n PRO 605 Ca 0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2jiq n PRO 605 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2jiq n PRO 605 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2jiq n ASP 606 N -0.93 0.00 -0.06 2.55 5.75 0.30 -4.96 116.55 119.20 2jiq n ASP 606 Ca 0.05 -0.82 -0.08 0.00 -0.01 0.00 0.00 54.79 53.93 2jiq n ASP 606 Cb 0.56 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.64 2jiq n ASP 606 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jiq h ALA 607 N 2.00 0.24 -0.04 2.12 0.00 -1.97 -2.46 119.26 119.15 2jiq h ALA 607 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jiq h ALA 607 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jiq h ALA 607 CO 0.00 -0.40 0.02 1.49 0.00 0.00 0.00 179.25 180.37 2jiq h GLU 608 N 0.11 0.06 -3.12 0.00 4.81 -1.99 -3.37 114.58 111.08 2jiq h GLU 608 Ca 0.11 -0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.71 2jiq h GLU 608 Cb 0.13 -0.01 -0.41 0.00 0.63 0.00 0.00 28.75 29.09 2jiq h GLU 608 CO -0.17 0.16 -0.67 0.71 -0.73 0.00 0.00 179.01 178.31 2jiq s TYR 609 N -5.71 2.82 -1.92 0.92 2.02 -1.22 -4.82 117.35 109.44 2jiq s TYR 609 Ca -0.14 -2.96 0.29 0.00 -0.37 0.00 0.00 57.07 53.90 2jiq s TYR 609 Cb 0.06 -2.41 1.35 0.00 -0.40 0.00 0.00 41.96 40.56 2jiq s TYR 609 CO 0.67 -0.70 1.92 -0.35 -1.57 0.00 0.00 175.55 175.52 2jiq n PRO 610 N 2.89 0.98 -4.19 -1.71 -0.05 -0.93 -0.54 135.00 131.46 2jiq n PRO 610 Ca 0.12 -0.34 -0.34 0.00 -0.05 0.00 0.00 63.50 62.89 2jiq n PRO 610 Cb 0.35 -1.49 -0.08 0.00 -0.05 0.00 0.00 33.50 32.22 2jiq n PRO 610 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2jiq s LEU 611 N -2.25 3.80 0.17 1.53 1.43 0.82 -4.69 118.68 119.50 2jiq s LEU 611 Ca 0.36 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 2jiq s LEU 611 Cb 0.21 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 2jiq s LEU 611 CO 0.42 0.32 1.19 -0.31 0.23 0.00 0.00 176.35 178.20 2jiq s TYR 612 N -1.07 3.44 -0.09 0.29 2.02 -0.08 -0.15 117.35 121.72 2jiq s TYR 612 Ca 0.19 1.42 0.03 0.00 -0.37 0.00 0.00 57.07 58.33 2jiq s TYR 612 Cb -0.12 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 2jiq s TYR 612 CO 0.09 -1.18 -0.17 -1.17 -1.57 0.00 0.00 175.55 171.54 2jiq s LEU 613 N -0.08 2.52 0.22 -1.29 2.96 0.80 -0.67 118.68 123.13 2jiq s LEU 613 Ca 0.53 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 2jiq s LEU 613 Cb -0.32 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2jiq s LEU 613 CO 0.36 0.23 -0.16 0.28 -1.32 0.00 0.00 176.35 175.73 2jiq s THR 614 N -0.07 1.93 0.25 3.68 -1.32 -0.12 -2.59 115.64 117.40 2jiq s THR 614 Ca -0.04 -2.22 0.12 0.00 -1.21 0.00 0.00 61.69 58.34 2jiq s THR 614 Cb -0.14 -2.08 -0.05 0.00 -1.51 0.00 0.00 72.50 68.72 2jiq s THR 614 CO 0.04 -0.51 -0.21 -0.94 -2.21 0.00 0.00 174.62 170.79 2jiq s SER 615 N -3.26 3.54 0.23 8.08 1.04 -1.25 -0.20 113.70 121.88 2jiq s SER 615 Ca 0.23 -0.97 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 2jiq s SER 615 Cb -0.03 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.84 2jiq s SER 615 CO 0.09 0.07 0.81 0.00 0.98 0.00 0.00 173.24 175.18 2jiq s MET 616 N -3.23 1.55 0.22 4.02 0.23 -0.88 -4.90 119.30 116.31 2jiq s MET 616 Ca 0.27 -0.85 -0.12 0.00 -1.03 0.00 0.00 55.69 53.95 2jiq s MET 616 Cb -0.06 0.53 -0.07 0.00 -1.53 0.00 0.00 34.83 33.70 2jiq s MET 616 CO 0.13 -0.71 0.59 1.03 -2.03 0.00 0.00 175.02 174.03 2jiq s ARG 617 N -3.68 3.91 0.12 3.16 1.81 -1.26 -4.05 118.95 118.97 2jiq s ARG 617 Ca 0.11 0.43 0.09 0.00 -1.72 0.00 0.00 55.73 54.64 2jiq s ARG 617 Cb -0.04 -2.71 -0.04 0.00 -0.45 0.00 0.00 34.95 31.71 2jiq s ARG 617 CO 0.05 0.34 -0.16 0.14 -0.68 0.00 0.00 175.30 174.99 2jiq s VAL 618 N -1.72 2.96 0.38 3.52 -7.23 -1.26 -4.98 120.40 112.07 2jiq s VAL 618 Ca 0.45 -1.47 0.09 0.00 -1.81 0.00 0.00 61.98 59.24 2jiq s VAL 618 Cb -0.12 -2.37 0.31 0.00 0.56 0.00 0.00 36.38 34.75 2jiq s VAL 618 CO 0.20 0.09 1.96 -0.29 -0.31 0.00 0.00 175.10 176.74 2jiq h ILE 619 N 3.44 0.96 0.00 -0.62 6.09 -1.95 -3.22 117.51 122.20 2jiq h ILE 619 Ca -0.49 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 2jiq h ILE 619 Cb 1.17 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.73 2jiq h ILE 619 CO 0.48 0.12 -0.50 0.44 -3.07 0.00 0.00 178.15 175.61 2jiq h ASP 620 N 0.64 0.00 -4.25 2.19 3.32 -1.90 -3.46 116.42 112.95 2jiq h ASP 620 Ca 0.31 -0.02 -0.69 0.00 0.02 0.00 0.00 57.03 56.65 2jiq h ASP 620 Cb 0.40 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.69 2jiq h ASP 620 CO -0.11 0.01 -0.83 -1.00 -1.72 0.00 0.00 179.24 175.59 2jiq s HIS 621 N -3.27 2.50 -0.33 4.55 3.76 -1.22 -4.84 115.29 116.45 2jiq s HIS 621 Ca 0.04 -0.30 -0.08 0.00 -0.15 0.00 0.00 55.06 54.57 2jiq s HIS 621 Cb 0.08 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.27 2jiq s HIS 621 CO 0.72 0.11 0.12 -0.46 -0.85 0.00 0.00 174.74 174.39 2jiq s TRP 622 N -0.73 3.20 0.00 1.40 -0.11 -1.26 -4.67 118.94 116.77 2jiq s TRP 622 Ca 0.12 -1.07 0.00 0.00 1.22 0.00 0.00 56.10 56.36 2jiq s TRP 622 Cb -0.10 -2.31 0.00 0.00 -1.50 0.00 0.00 33.47 29.56 2jiq s TRP 622 CO 0.01 -0.63 0.00 0.72 -4.62 0.00 0.00 176.95 172.43 2jiq n HIS 623 N 4.89 0.00 1.53 5.86 8.25 -1.26 -0.93 115.22 133.55 2jiq n HIS 623 Ca -0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.46 2jiq n HIS 623 Cb 0.47 0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.32 2jiq n HIS 623 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jiq n THR 624 N 0.00 0.04 -1.21 1.59 -2.24 -1.26 -3.85 114.28 107.35 2jiq n THR 624 Ca 0.00 0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 2jiq n THR 624 Cb 0.00 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 2jiq n THR 624 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jiq n ALA 625 N -1.05 -0.11 0.28 6.98 0.00 -0.11 -4.77 120.51 121.73 2jiq n ALA 625 Ca 0.18 0.12 0.17 0.00 0.00 0.00 0.00 53.44 53.90 2jiq n ALA 625 Cb 0.11 -1.14 0.78 0.00 0.00 0.00 0.00 19.45 19.20 2jiq n ALA 625 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2jiq h THR 626 N 0.00 0.18 0.00 0.00 1.35 -1.90 -1.00 112.91 111.54 2jiq h THR 626 Ca -0.15 -0.48 -0.17 0.00 -0.55 0.00 0.00 66.41 65.07 2jiq h THR 626 Cb 0.65 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 2jiq h THR 626 CO 0.22 0.05 -1.40 0.23 -0.25 0.00 0.00 175.52 174.37 2jiq n MET 627 N -3.23 0.38 0.23 4.72 2.00 -1.26 -4.51 117.12 115.46 2jiq n MET 627 Ca -0.01 0.16 0.08 0.00 0.00 0.00 0.00 57.70 57.93 2jiq n MET 627 Cb 0.26 -1.16 0.57 0.00 0.00 0.00 0.00 33.22 32.89 2jiq n MET 627 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2jiq h THR 628 N -0.68 0.95 0.00 2.03 1.35 -1.86 -1.71 112.91 112.99 2jiq h THR 628 Ca -0.25 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 2jiq h THR 628 Cb 1.06 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2jiq h THR 628 CO -0.15 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2jiq n GLY 629 N -0.85 -0.85 0.84 5.82 0.00 -0.38 -2.18 105.19 107.59 2jiq n GLY 629 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2jiq n GLY 629 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jiq n LYS 630 N -1.48 2.16 -3.68 1.61 4.76 -0.64 -4.79 118.16 116.10 2jiq n LYS 630 Ca 0.03 -1.68 -0.39 0.00 -2.87 0.00 0.00 58.31 53.40 2jiq n LYS 630 Cb 0.12 -1.47 -0.12 0.00 -1.84 0.00 0.00 35.03 31.73 2jiq n LYS 630 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jiq s VAL 631 N -2.00 4.21 0.40 -0.18 1.01 -0.92 -4.85 120.40 118.07 2jiq s VAL 631 Ca 0.30 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.47 2jiq s VAL 631 Cb 0.20 -3.32 0.29 0.00 0.00 0.00 0.00 36.38 33.55 2jiq s VAL 631 CO 0.31 -0.14 2.01 -0.65 0.00 0.00 0.00 175.10 176.63 2jiq h PRO 632 N 8.32 0.58 -0.59 2.72 0.11 -1.86 -1.45 132.00 139.83 2jiq h PRO 632 Ca -0.26 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.98 2jiq h PRO 632 Cb 1.10 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2jiq h PRO 632 CO 0.63 0.38 0.42 0.93 -0.21 0.00 0.00 178.00 180.15 2jiq h GLU 633 N 0.59 0.04 -0.01 1.05 3.07 -1.94 -2.13 114.58 115.25 2jiq h GLU 633 Ca 0.23 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2jiq h GLU 633 Cb 0.16 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2jiq h GLU 633 CO -0.06 0.03 -0.17 1.28 -1.40 0.00 0.00 179.01 178.69 2jiq n LEU 634 N -4.38 1.33 -0.01 1.33 4.77 -0.55 -4.04 117.00 115.45 2jiq n LEU 634 Ca 0.11 -0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 55.48 2jiq n LEU 634 Cb 0.63 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 2jiq n LEU 634 CO 0.37 0.24 -0.86 0.00 -1.33 0.00 0.00 177.39 175.81 2jiq n GLN 635 N -0.24 0.75 -0.37 3.23 1.13 -0.81 -4.42 117.38 116.66 2jiq n GLN 635 Ca 0.14 0.25 0.35 0.00 -1.94 0.00 0.00 57.00 55.81 2jiq n GLN 635 Cb 0.37 -1.69 0.71 0.00 0.11 0.00 0.00 30.24 29.74 2jiq n GLN 635 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2jiq h LYS 636 N 0.06 0.07 0.04 -1.09 1.57 -1.69 -0.81 116.57 114.73 2jiq h LYS 636 Ca -0.44 -0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 57.96 2jiq h LYS 636 Cb 2.02 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 34.27 2jiq h LYS 636 CO 0.07 0.04 -2.30 0.00 -0.57 0.00 0.00 179.45 176.69 2jiq n ALA 637 N -2.72 1.24 -3.22 3.86 0.00 -1.26 -4.75 120.51 113.66 2jiq n ALA 637 Ca 0.28 -0.93 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 2jiq n ALA 637 Cb 1.27 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.35 2jiq n ALA 637 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jiq n ASN 638 N -3.33 1.98 -0.03 0.00 3.02 -0.79 -4.94 115.26 111.17 2jiq n ASN 638 Ca -0.40 -3.12 -0.07 0.00 -0.03 0.00 0.00 54.58 50.96 2jiq n ASN 638 Cb 1.01 -0.63 0.10 0.00 -0.61 0.00 0.00 39.78 39.65 2jiq n ASN 638 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2jiq h PRO 639 N 3.72 0.63 -5.46 3.52 0.13 -1.47 -3.46 132.00 129.61 2jiq h PRO 639 Ca 0.12 -0.30 -0.42 0.00 -0.87 0.00 0.00 66.00 64.53 2jiq h PRO 639 Cb 0.78 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.73 2jiq h PRO 639 CO 0.63 0.89 -0.75 0.96 -0.23 0.00 0.00 178.00 179.50 2jiq s ILE 640 N -4.37 1.47 0.64 -3.56 -4.36 -1.26 -4.95 121.20 104.81 2jiq s ILE 640 Ca -0.08 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.21 2jiq s ILE 640 Cb 0.13 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 42.07 2jiq s ILE 640 CO 0.83 -0.50 1.26 0.00 0.24 0.00 0.00 174.94 176.77 2jiq s ALA 641 N -2.52 2.40 0.20 2.27 0.00 -1.26 -5.03 121.76 117.82 2jiq s ALA 641 Ca 0.14 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 2jiq s ALA 641 Cb -0.03 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2jiq s ALA 641 CO 0.04 -1.49 0.33 -0.59 0.00 0.00 0.00 175.76 174.05 2jiq s PHE 642 N -1.50 0.49 -0.08 0.00 -0.12 -1.26 -4.42 117.98 111.10 2jiq s PHE 642 Ca 0.80 -0.83 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 2jiq s PHE 642 Cb -0.35 -0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.00 2jiq s PHE 642 CO 0.38 -0.80 -0.23 0.54 -0.05 0.00 0.00 175.22 175.06 2jiq s VAL 643 N -4.01 1.91 0.00 -2.49 0.11 -0.87 -4.09 120.40 110.96 2jiq s VAL 643 Ca 0.22 -0.95 -0.21 0.00 -2.93 0.00 0.00 61.98 58.11 2jiq s VAL 643 Cb 0.02 -1.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 2jiq s VAL 643 CO 0.05 0.53 0.60 -1.61 -3.33 0.00 0.00 175.10 171.34 2jiq s GLU 644 N 0.18 4.32 -0.01 1.54 2.02 -0.27 -0.44 118.70 126.03 2jiq s GLU 644 Ca -0.12 0.76 0.04 0.00 0.02 0.00 0.00 54.97 55.67 2jiq s GLU 644 Cb -0.16 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 2jiq s GLU 644 CO 0.06 0.38 -0.14 0.42 0.02 0.00 0.00 175.26 176.00 2jiq s ILE 645 N -0.24 1.10 0.34 -1.63 1.01 -0.40 -2.80 121.20 118.57 2jiq s ILE 645 Ca 0.31 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 2jiq s ILE 645 Cb -0.18 -0.92 -0.10 0.00 0.01 0.00 0.00 42.46 41.26 2jiq s ILE 645 CO 0.18 0.31 1.33 0.21 0.00 0.00 0.00 174.94 176.97 2jiq s ASN 646 N -0.26 6.72 0.19 3.58 2.47 -1.26 -1.71 114.94 124.67 2jiq s ASN 646 Ca 0.04 2.73 -0.14 0.00 0.42 0.00 0.00 52.86 55.91 2jiq s ASN 646 Cb -0.06 -2.65 0.18 0.00 -1.45 0.00 0.00 41.25 37.27 2jiq s ASN 646 CO -0.00 -0.58 1.68 -0.33 -3.72 0.00 0.00 177.10 174.14 2jiq h GLU 647 N 3.36 0.09 -0.14 0.43 5.08 -1.58 0.13 114.58 121.95 2jiq h GLU 647 Ca -0.49 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2jiq h GLU 647 Cb 1.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jiq h GLU 647 CO 0.65 0.06 0.03 1.49 -1.00 0.00 0.00 179.01 180.24 2jiq h GLU 648 N 0.09 0.23 0.03 2.33 4.81 -1.93 0.79 114.58 120.93 2jiq h GLU 648 Ca 0.25 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2jiq h GLU 648 Cb 0.37 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2jiq h GLU 648 CO -0.43 0.39 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.62 2jiq h ASP 649 N 0.02 -0.52 -0.55 1.04 5.19 -1.89 -2.67 116.42 117.04 2jiq h ASP 649 Ca 0.04 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2jiq h ASP 649 Cb 0.27 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 2jiq h ASP 649 CO 0.00 -0.25 0.24 0.00 -3.12 0.00 0.00 179.24 176.12 2jiq h ALA 650 N 0.58 1.33 0.00 3.45 0.00 -0.71 -1.51 119.26 122.40 2jiq h ALA 650 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jiq h ALA 650 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jiq h ALA 650 CO -0.15 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.54 2jiq h ALA 651 N 1.43 1.75 -0.00 0.00 0.00 -0.50 0.21 119.26 122.15 2jiq h ALA 651 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jiq h ALA 651 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jiq h ALA 651 CO -0.02 0.09 -0.43 2.89 0.00 0.00 0.00 179.25 181.78 2jiq n ARG 652 N -4.26 3.31 0.00 0.00 1.85 -1.09 -4.13 116.66 112.34 2jiq n ARG 652 Ca -0.03 -0.13 0.13 0.00 -1.00 0.00 0.00 57.85 56.82 2jiq n ARG 652 Cb 0.15 -1.01 0.40 0.00 -1.05 0.00 0.00 32.46 30.96 2jiq n ARG 652 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2jiq n THR 653 N -1.03 0.00 -2.40 8.89 -1.04 -0.58 -4.97 114.28 113.15 2jiq n THR 653 Ca 0.02 -0.01 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 2jiq n THR 653 Cb 0.17 -0.03 0.01 0.00 -1.82 0.00 0.00 70.33 68.66 2jiq n THR 653 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jiq n GLY 654 N 1.49 0.25 3.61 3.41 0.00 -0.42 -4.97 105.19 108.56 2jiq n GLY 654 Ca 0.07 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 2jiq n GLY 654 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jiq s ILE 655 N -2.62 4.97 0.31 -0.61 1.01 -0.07 -5.05 121.20 119.14 2jiq s ILE 655 Ca 0.07 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2jiq s ILE 655 Cb -0.03 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 2jiq s ILE 655 CO 0.09 0.38 0.45 -0.54 0.00 0.00 0.00 174.94 175.32 2jiq s LYS 656 N 0.91 3.19 0.21 2.79 1.02 -1.26 -4.41 119.74 122.19 2jiq s LYS 656 Ca 0.06 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 2jiq s LYS 656 Cb -0.13 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.24 2jiq s LYS 656 CO 0.03 0.14 1.57 -1.58 -0.92 0.00 0.00 175.35 174.59 2jiq s HIS 657 N -2.13 2.99 -0.49 3.18 5.65 -1.26 -1.79 115.29 121.43 2jiq s HIS 657 Ca 0.43 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.43 2jiq s HIS 657 Cb -0.09 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.35 2jiq s HIS 657 CO 0.31 -3.41 0.00 0.41 -0.65 0.00 0.00 174.74 171.40 2jiq n GLY 658 N 3.21 0.66 3.77 1.59 0.00 0.53 -5.00 105.19 109.95 2jiq n GLY 658 Ca 0.12 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2jiq n GLY 658 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jiq s ASP 659 N -2.38 6.42 -0.24 1.61 -0.00 -0.74 -4.62 116.67 116.72 2jiq s ASP 659 Ca 0.00 2.70 -0.28 0.00 -0.00 0.00 0.00 52.55 54.97 2jiq s ASP 659 Cb 0.00 -2.64 0.01 0.00 -0.00 0.00 0.00 42.92 40.28 2jiq s ASP 659 CO 0.00 -0.78 1.00 -0.55 -0.00 0.00 0.00 175.17 174.84 2jiq s SER 660 N -0.62 7.03 0.28 0.27 0.15 -1.26 -0.24 113.70 119.30 2jiq s SER 660 Ca 0.55 1.27 0.11 0.00 0.70 0.00 0.00 55.95 58.58 2jiq s SER 660 Cb -0.39 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.35 2jiq s SER 660 CO 0.51 -0.65 -0.17 0.68 1.20 0.00 0.00 173.24 174.81 2jiq s VAL 661 N 3.15 2.32 -0.27 4.45 -7.23 -0.24 -1.89 120.40 120.69 2jiq s VAL 661 Ca 0.42 -2.34 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 2jiq s VAL 661 Cb -0.15 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2jiq s VAL 661 CO 0.07 -0.38 0.10 -0.63 -0.31 0.00 0.00 175.10 173.95 2jiq s ILE 662 N -2.60 4.39 -0.13 -0.62 1.01 0.14 -0.86 121.20 122.53 2jiq s ILE 662 Ca 0.30 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 2jiq s ILE 662 Cb -0.03 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2jiq s ILE 662 CO 0.14 0.22 0.42 -0.69 0.00 0.00 0.00 174.94 175.03 2jiq s VAL 663 N 1.61 5.22 -0.01 2.92 1.01 0.38 -2.16 120.40 129.37 2jiq s VAL 663 Ca 0.05 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2jiq s VAL 663 Cb -0.16 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2jiq s VAL 663 CO 0.05 0.34 0.01 -0.70 0.00 0.00 0.00 175.10 174.80 2jiq s GLU 664 N 0.58 0.02 0.00 2.72 2.12 -0.72 -0.03 118.70 123.40 2jiq s GLU 664 Ca 0.23 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.65 2jiq s GLU 664 Cb -0.14 -0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.08 2jiq s GLU 664 CO 0.08 -0.08 0.00 0.25 -0.54 0.00 0.00 175.26 174.97 2jiq n THR 665 N 3.66 0.00 0.44 -1.70 -2.24 -0.50 -1.08 114.28 112.86 2jiq n THR 665 Ca -0.20 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 2jiq n THR 665 Cb 0.55 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.25 2jiq n THR 665 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2jiq h ARG 666 N 0.00 0.00 0.00 -0.78 3.08 -1.85 -3.33 114.38 111.51 2jiq h ARG 666 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 2jiq h ARG 666 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2jiq h ARG 666 CO 0.00 0.00 -2.38 0.54 -1.07 0.00 0.00 179.97 177.06 2jiq n ARG 667 N -2.39 0.72 -3.88 0.04 1.74 -1.26 -5.07 116.66 106.56 2jiq n ARG 667 Ca 0.03 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.08 2jiq n ARG 667 Cb 0.31 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 2jiq n ARG 667 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jiq s ASP 668 N -5.94 0.31 -0.01 0.55 -1.08 -1.25 -4.91 116.67 104.33 2jiq s ASP 668 Ca -0.22 -1.30 0.02 0.00 -0.52 0.00 0.00 52.55 50.52 2jiq s ASP 668 Cb 0.07 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.36 2jiq s ASP 668 CO 0.68 -1.63 -0.06 0.00 0.52 0.00 0.00 175.17 174.67 2jiq s ALA 669 N -2.31 0.57 -0.02 3.66 0.00 -1.26 -1.42 121.76 120.99 2jiq s ALA 669 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2jiq s ALA 669 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2jiq s ALA 669 CO 0.15 0.11 0.04 1.41 0.00 0.00 0.00 175.76 177.46 2jiq s MET 670 N 0.06 0.04 -0.15 0.00 1.75 0.96 -4.98 119.30 116.98 2jiq s MET 670 Ca -0.00 0.07 -0.15 0.00 -1.25 0.00 0.00 55.69 54.36 2jiq s MET 670 Cb -0.05 -0.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.57 2jiq s MET 670 CO -0.00 -0.02 0.36 -2.00 -0.65 0.00 0.00 175.02 172.71 2jiq s GLU 671 N 0.13 4.29 -0.04 4.11 2.12 -1.26 -0.47 118.70 127.57 2jiq s GLU 671 Ca -0.01 0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.44 2jiq s GLU 671 Cb -0.01 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.96 2jiq s GLU 671 CO -0.00 0.20 0.23 -0.51 -0.54 0.00 0.00 175.26 174.64 2jiq s LEU 672 N 0.55 1.15 0.00 2.70 1.43 -0.04 -4.99 118.68 119.48 2jiq s LEU 672 Ca 0.20 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 2jiq s LEU 672 Cb -0.14 0.92 -0.05 0.00 0.03 0.00 0.00 46.19 46.95 2jiq s LEU 672 CO 0.06 -0.28 1.34 -2.16 0.23 0.00 0.00 176.35 175.54 2jiq s PRO 673 N -0.77 4.31 0.36 1.29 0.04 -1.26 -1.08 135.00 137.89 2jiq s PRO 673 Ca -0.09 1.89 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 2jiq s PRO 673 Cb -0.05 -3.53 -0.10 0.00 0.04 0.00 0.00 34.50 30.86 2jiq s PRO 673 CO 0.02 -0.51 0.94 0.00 0.04 0.00 0.00 177.00 177.49 2jiq s ALA 674 N 2.16 3.15 -0.31 8.56 0.00 0.66 -2.04 121.76 133.94 2jiq s ALA 674 Ca 0.62 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 2jiq s ALA 674 Cb -0.30 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 19.76 2jiq s ALA 674 CO 0.26 0.16 0.10 0.50 0.00 0.00 0.00 175.76 176.78 2jiq s ARG 675 N -2.49 0.65 -0.21 0.00 3.52 0.42 -0.35 118.95 120.48 2jiq s ARG 675 Ca 0.55 -1.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.03 2jiq s ARG 675 Cb -0.15 -1.88 -0.05 0.00 -1.56 0.00 0.00 34.95 31.31 2jiq s ARG 675 CO 0.20 -0.99 0.15 0.14 -0.81 0.00 0.00 175.30 173.99 2jiq s VAL 676 N 1.68 5.38 0.17 7.11 -7.23 -1.26 -1.28 120.40 124.98 2jiq s VAL 676 Ca 0.10 0.21 -0.22 0.00 -1.81 0.00 0.00 61.98 60.25 2jiq s VAL 676 Cb -0.17 -3.49 0.08 0.00 0.56 0.00 0.00 36.38 33.35 2jiq s VAL 676 CO -0.27 0.40 1.06 -0.44 -0.31 0.00 0.00 175.10 175.54 2jiq s SER 677 N 0.65 0.01 0.00 4.85 0.01 -0.69 -4.86 113.70 113.68 2jiq s SER 677 Ca 0.08 -0.66 0.17 0.00 1.31 0.00 0.00 55.95 56.85 2jiq s SER 677 Cb -0.12 0.48 0.54 0.00 0.21 0.00 0.00 66.02 67.13 2jiq s SER 677 CO 0.01 -0.96 1.42 -0.90 0.41 0.00 0.00 173.24 173.22 2jiq n ASP 678 N -1.25 1.92 0.04 2.44 5.75 -1.26 -1.58 116.55 122.60 2jiq n ASP 678 Ca -0.02 -1.86 -0.12 0.00 -0.01 0.00 0.00 54.79 52.78 2jiq n ASP 678 Cb 0.59 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 2jiq n ASP 678 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2jiq h VAL 679 N 2.32 1.04 -3.35 2.12 2.07 -1.89 -3.40 116.25 115.16 2jiq h VAL 679 Ca 0.00 -0.16 -0.56 0.00 0.82 0.00 0.00 66.70 66.80 2jiq h VAL 679 Cb 0.52 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2jiq h VAL 679 CO 0.00 0.04 0.05 0.00 0.02 0.00 0.00 177.57 177.68 2jiq s ARG 681 N 0.36 2.31 -0.19 0.00 1.70 -1.07 -4.36 118.95 117.70 2jiq s ARG 681 Ca 0.35 1.78 -0.35 0.00 -0.47 0.00 0.00 55.73 57.04 2jiq s ARG 681 Cb -0.18 -1.85 -0.12 0.00 -0.57 0.00 0.00 34.95 32.23 2jiq s ARG 681 CO 0.18 -1.71 1.94 -2.30 -1.08 0.00 0.00 175.30 172.33 2jiq n PRO 682 N -2.49 1.74 0.00 3.89 -0.02 -1.26 -2.43 135.00 134.43 2jiq n PRO 682 Ca 0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2jiq n PRO 682 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2jiq n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jiq n GLY 683 N 4.88 1.07 3.15 -1.23 0.00 -1.26 -5.06 105.19 106.73 2jiq n GLY 683 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 2jiq n GLY 683 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jiq s LEU 684 N 0.00 2.14 0.20 0.99 2.96 -1.02 -0.90 118.68 123.04 2jiq s LEU 684 Ca 0.00 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 2jiq s LEU 684 Cb 0.00 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 2jiq s LEU 684 CO 0.00 0.08 -0.14 0.27 -1.32 0.00 0.00 176.35 175.24 2jiq s ILE 685 N -0.72 1.70 -0.04 6.68 -4.36 0.15 -4.18 121.20 120.43 2jiq s ILE 685 Ca 0.03 -2.18 -0.02 0.00 -0.26 0.00 0.00 60.65 58.22 2jiq s ILE 685 Cb -0.07 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.65 2jiq s ILE 685 CO 0.01 -0.59 0.09 0.00 0.24 0.00 0.00 174.94 174.69 2jiq s ALA 686 N -2.92 -0.15 0.10 2.27 0.00 -1.12 -0.95 121.76 118.98 2jiq s ALA 686 Ca 0.21 0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.64 2jiq s ALA 686 Cb -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2jiq s ALA 686 CO 0.06 -0.09 -0.27 0.14 0.00 0.00 0.00 175.76 175.61 2jiq s VAL 687 N 0.58 2.24 0.49 0.00 -7.23 0.73 -1.12 120.40 116.08 2jiq s VAL 687 Ca -0.04 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2jiq s VAL 687 Cb -0.06 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2jiq s VAL 687 CO -0.02 0.18 0.73 -2.16 -0.31 0.00 0.00 175.10 173.52 2jiq s PRO 688 N -1.80 2.95 -0.08 4.82 0.04 -1.26 -2.08 135.00 137.60 2jiq s PRO 688 Ca 0.13 -0.44 0.11 0.00 0.04 0.00 0.00 61.00 60.85 2jiq s PRO 688 Cb -0.10 -2.49 0.18 0.00 0.04 0.00 0.00 34.50 32.12 2jiq s PRO 688 CO 0.05 -0.42 1.07 1.97 0.04 0.00 0.00 177.00 179.70 2jiq n PHE 689 N -2.22 0.00 0.09 0.56 1.16 -1.26 -4.75 117.46 111.04 2jiq n PHE 689 Ca 0.03 -0.69 -0.04 0.00 -1.87 0.00 0.00 57.45 54.87 2jiq n PHE 689 Cb 0.58 -0.11 -0.01 0.00 -1.61 0.00 0.00 39.48 38.33 2jiq n PHE 689 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2jiq h PHE 690 N 0.00 0.00 -3.15 2.97 -0.00 -1.91 -3.43 116.94 111.41 2jiq h PHE 690 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.97 57.40 2jiq h PHE 690 Cb 0.98 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.87 2jiq h PHE 690 CO 0.02 0.83 0.87 0.34 -0.00 0.00 0.00 178.31 180.37 2jiq s ASP 691 N -6.71 6.91 0.03 -0.68 3.68 -1.26 -4.26 116.67 114.39 2jiq s ASP 691 Ca 0.01 1.27 0.27 0.00 2.13 0.00 0.00 52.55 56.22 2jiq s ASP 691 Cb 0.10 -2.54 1.10 0.00 -1.45 0.00 0.00 42.92 40.13 2jiq s ASP 691 CO 0.79 -0.86 1.84 -0.81 0.13 0.00 0.00 175.17 176.27 2jiq n PRO 692 N 6.81 0.04 0.00 4.34 -0.04 -1.26 -2.60 135.00 142.28 2jiq n PRO 692 Ca 0.13 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2jiq n PRO 692 Cb 0.46 -1.55 0.17 0.00 -0.04 0.00 0.00 33.50 32.54 2jiq n PRO 692 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jiq n LYS 693 N -1.62 0.37 -3.64 0.54 5.02 -1.26 -4.45 118.16 113.13 2jiq n LYS 693 Ca 0.06 -0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 55.82 2jiq n LYS 693 Cb 0.33 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 2jiq n LYS 693 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jiq s LYS 694 N -2.80 1.55 -1.28 1.97 -0.14 -1.07 -5.05 119.74 112.92 2jiq s LYS 694 Ca 0.15 -2.55 -0.17 0.00 -1.36 0.00 0.00 55.97 52.03 2jiq s LYS 694 Cb 0.18 -2.32 0.09 0.00 -1.68 0.00 0.00 37.83 34.09 2jiq s LYS 694 CO 0.67 -1.31 1.68 -0.51 -0.76 0.00 0.00 175.35 175.12 2jiq s LEU 695 N -0.46 4.04 0.48 3.17 1.43 -1.26 -4.66 118.68 121.43 2jiq s LEU 695 Ca 0.27 -2.51 0.21 0.00 -1.03 0.00 0.00 54.13 51.07 2jiq s LEU 695 Cb -0.04 -2.55 1.24 0.00 0.03 0.00 0.00 46.19 44.87 2jiq s LEU 695 CO -0.15 -1.11 1.95 -0.37 0.23 0.00 0.00 176.35 176.90 2jiq h VAL 696 N 5.45 0.75 0.00 -1.59 -1.51 -1.87 -1.40 116.25 116.08 2jiq h VAL 696 Ca 0.42 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 2jiq h VAL 696 Cb 0.87 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2jiq h VAL 696 CO 1.42 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 178.39 2jiq n ASN 697 N -4.42 0.00 0.11 4.19 4.13 -1.26 0.11 115.26 118.11 2jiq n ASN 697 Ca 0.13 -0.22 -0.02 0.00 1.68 0.00 0.00 54.58 56.15 2jiq n ASN 697 Cb 0.59 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 39.06 2jiq n ASN 697 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2jiq h LYS 698 N 0.00 0.19 0.01 3.52 1.57 -1.57 0.47 116.57 120.75 2jiq h LYS 698 Ca 0.00 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.44 2jiq h LYS 698 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2jiq h LYS 698 CO 0.00 0.59 -1.29 -0.07 -0.57 0.00 0.00 179.45 178.11 2jiq h LEU 699 N 0.16 0.02 -9.87 2.94 3.38 -0.56 -3.37 115.31 108.01 2jiq h LEU 699 Ca 0.01 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.48 2jiq h LEU 699 Cb 0.84 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2jiq h LEU 699 CO 0.07 1.02 0.37 -0.36 0.09 0.00 0.00 178.44 179.62 2jiq s PHE 700 N -2.66 3.66 0.71 1.13 0.08 -1.22 -4.58 117.98 115.09 2jiq s PHE 700 Ca -0.02 1.77 -0.11 0.00 0.12 0.00 0.00 56.93 58.70 2jiq s PHE 700 Cb 0.09 -2.99 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 2jiq s PHE 700 CO 0.82 0.05 1.07 -1.17 -0.10 0.00 0.00 175.22 175.89 2jiq s LEU 701 N -1.98 3.13 -0.38 -0.37 2.96 -1.26 -2.01 118.68 118.78 2jiq s LEU 701 Ca 0.50 1.69 0.05 0.00 -0.22 0.00 0.00 54.13 56.15 2jiq s LEU 701 Cb -0.21 -4.51 0.45 0.00 0.50 0.00 0.00 46.19 42.42 2jiq s LEU 701 CO 0.27 -1.59 1.31 -0.90 -1.32 0.00 0.00 176.35 174.11 2jiq n ASP 702 N -3.16 5.32 -4.77 3.68 5.75 -1.26 -4.49 116.55 117.62 2jiq n ASP 702 Ca 0.08 -3.75 -0.38 0.00 -0.01 0.00 0.00 54.79 50.73 2jiq n ASP 702 Cb 0.53 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 2jiq n ASP 702 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jiq s ALA 703 N -3.63 3.12 0.09 2.12 0.00 -1.26 -4.88 121.76 117.31 2jiq s ALA 703 Ca 0.52 0.94 0.10 0.00 0.00 0.00 0.00 51.96 53.52 2jiq s ALA 703 Cb 0.42 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2jiq s ALA 703 CO -0.01 -0.53 -0.25 0.95 0.00 0.00 0.00 175.76 175.92 2jiq s THR 704 N -1.46 2.35 0.19 0.00 -4.23 -1.26 -1.39 115.64 109.84 2jiq s THR 704 Ca 0.58 -1.53 -0.33 0.00 -1.18 0.00 0.00 61.69 59.24 2jiq s THR 704 Cb -0.30 -1.99 -0.12 0.00 1.34 0.00 0.00 72.50 71.42 2jiq s THR 704 CO 0.37 0.22 1.69 -0.67 -0.54 0.00 0.00 174.62 175.69 2jiq n ASP 705 N 1.28 3.75 0.13 3.99 4.64 -0.11 -4.78 116.55 125.44 2jiq n ASP 705 Ca -0.17 1.06 0.12 0.00 -1.38 0.00 0.00 54.79 54.42 2jiq n ASP 705 Cb 0.52 -1.53 0.47 0.00 -1.04 0.00 0.00 41.12 39.54 2jiq n ASP 705 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2jiq n PRO 706 N 3.94 0.22 -0.08 -0.67 -0.02 -1.26 -0.19 135.00 136.94 2jiq n PRO 706 Ca 0.16 0.37 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 2jiq n PRO 706 Cb 0.33 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 2jiq n PRO 706 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jiq n VAL 707 N -2.26 1.46 0.07 -1.45 0.31 -1.26 -4.68 118.33 110.51 2jiq n VAL 707 Ca 0.03 0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.47 2jiq n VAL 707 Cb 0.29 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 30.89 2jiq n VAL 707 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2jiq h SER 708 N -1.00 0.00 -1.44 4.52 4.64 -1.85 -3.48 113.55 114.94 2jiq h SER 708 Ca -0.13 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.97 2jiq h SER 708 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 2jiq h SER 708 CO -0.08 0.66 -0.28 0.54 -0.87 0.00 0.00 176.83 176.80 2jiq n ARG 709 N -3.08 -0.89 -2.97 4.77 5.12 0.74 -4.78 116.66 115.57 2jiq n ARG 709 Ca -0.05 0.61 -0.40 0.00 -1.93 0.00 0.00 57.85 56.08 2jiq n ARG 709 Cb 0.84 -4.72 -0.05 0.00 -1.16 0.00 0.00 32.46 27.37 2jiq n ARG 709 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jiq s GLU 710 N -4.29 4.50 0.58 5.56 2.12 -1.26 -4.74 118.70 121.17 2jiq s GLU 710 Ca 0.00 1.08 -0.15 0.00 0.36 0.00 0.00 54.97 56.26 2jiq s GLU 710 Cb 0.00 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 2jiq s GLU 710 CO 0.00 0.26 1.03 -2.14 -0.54 0.00 0.00 175.26 173.87 2jiq s PRO 711 N 0.03 3.53 -1.22 4.30 0.02 -1.26 -0.94 135.00 139.47 2jiq s PRO 711 Ca 0.39 1.06 -0.08 0.00 0.02 0.00 0.00 61.00 62.39 2jiq s PRO 711 Cb -0.20 -2.07 0.21 0.00 0.02 0.00 0.00 34.50 32.45 2jiq s PRO 711 CO 0.23 -0.62 1.76 -1.91 -0.33 0.00 0.00 177.00 176.13 2jiq n GLU 712 N -2.01 3.86 0.11 5.54 2.13 -0.48 -3.57 120.64 126.21 2jiq n GLU 712 Ca 0.08 -3.82 0.09 0.00 0.66 0.00 0.00 57.16 54.16 2jiq n GLU 712 Cb 0.53 -2.81 0.42 0.00 0.27 0.00 0.00 31.44 29.86 2jiq n GLU 712 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2jiq n TYR 713 N 3.16 0.54 0.06 4.31 4.02 -1.25 -3.47 117.16 124.53 2jiq n TYR 713 Ca 0.36 0.26 0.09 0.00 -0.01 0.00 0.00 57.90 58.59 2jiq n TYR 713 Cb 0.35 -0.92 -0.06 0.00 -0.02 0.00 0.00 39.34 38.70 2jiq n TYR 713 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2jiq n LYS 714 N -2.04 0.62 -3.72 -0.72 3.00 -1.20 -3.81 118.16 110.31 2jiq n LYS 714 Ca -0.00 0.06 -0.16 0.00 -0.00 0.00 0.00 58.31 58.21 2jiq n LYS 714 Cb 0.08 -1.74 -0.16 0.00 0.00 0.00 0.00 35.03 33.21 2jiq n LYS 714 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jiq s ILE 715 N -3.29 -0.11 0.18 3.15 1.01 -1.23 -4.14 121.20 116.77 2jiq s ILE 715 Ca -0.03 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2jiq s ILE 715 Cb 0.10 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 2jiq s ILE 715 CO 0.82 0.12 0.23 0.00 0.00 0.00 0.00 174.94 176.12 2jiq s ALA 717 N -4.03 3.48 0.19 0.00 0.00 -1.17 -0.14 121.76 120.09 2jiq s ALA 717 Ca 0.24 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 2jiq s ALA 717 Cb 0.04 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2jiq s ALA 717 CO 0.04 0.24 0.24 0.00 0.00 0.00 0.00 175.76 176.28 2jiq s ALA 718 N -0.66 0.52 0.06 0.00 0.00 0.79 -4.58 121.76 117.89 2jiq s ALA 718 Ca 0.33 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2jiq s ALA 718 Cb -0.20 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 2jiq s ALA 718 CO 0.21 -0.65 -0.07 -0.98 0.00 0.00 0.00 175.76 174.28 2jiq s ARG 719 N -4.06 0.64 -0.07 0.00 1.70 -0.24 -0.12 118.95 116.79 2jiq s ARG 719 Ca 0.28 -1.01 0.03 0.00 -0.47 0.00 0.00 55.73 54.56 2jiq s ARG 719 Cb 0.04 -0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.23 2jiq s ARG 719 CO 0.07 0.01 -0.17 0.08 -1.08 0.00 0.00 175.30 174.21 2jiq s VAL 720 N -2.45 1.47 0.06 4.99 1.01 -1.26 -1.76 120.40 122.46 2jiq s VAL 720 Ca -0.01 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2jiq s VAL 720 Cb -0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2jiq s VAL 720 CO -0.02 0.43 -0.13 0.00 0.00 0.00 0.00 175.10 175.37 2jiq s ARG 721 N 0.40 0.78 0.18 2.72 1.70 -0.92 -4.99 118.95 118.84 2jiq s ARG 721 Ca -0.13 -0.87 -0.31 0.00 -0.47 0.00 0.00 55.73 53.95 2jiq s ARG 721 Cb -0.15 -0.75 -0.10 0.00 -0.57 0.00 0.00 34.95 33.37 2jiq s ARG 721 CO 0.05 0.17 1.55 0.21 -1.08 0.00 0.00 175.30 176.20 2jiq s LYS 722 N -1.56 4.22 0.00 3.89 2.20 -1.26 0.25 119.74 127.48 2jiq s LYS 722 Ca -0.03 2.37 0.15 0.00 -0.36 0.00 0.00 55.97 58.10 2jiq s LYS 722 Cb -0.09 -3.14 0.88 0.00 -1.51 0.00 0.00 37.83 33.96 2jiq s LYS 722 CO 0.02 -0.58 1.30 0.00 -0.36 0.00 0.00 175.35 175.72