#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mkq s LYS 2 N 0.00 4.25 -0.16 2.12 2.20 -1.26 -5.04 119.74 121.85 3mkq s LYS 2 Ca 0.00 0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 56.28 3mkq s LYS 2 Cb 0.00 -3.57 0.06 0.00 -1.51 0.00 0.00 37.83 32.81 3mkq s LYS 2 CO 0.00 -0.24 0.38 -0.48 -0.36 0.00 0.00 175.35 174.65 3mkq s LEU 3 N 1.89 -0.02 -0.48 5.43 0.05 -1.26 -5.04 118.68 119.25 3mkq s LEU 3 Ca 0.32 0.83 -0.14 0.00 0.05 0.00 0.00 54.13 55.19 3mkq s LEU 3 Cb -0.16 1.24 0.09 0.00 -2.05 0.00 0.00 46.19 45.30 3mkq s LEU 3 CO 0.11 -0.19 0.40 1.51 -0.55 0.00 0.00 176.35 177.63 3mkq s ASP 4 N 1.40 6.06 -0.15 1.48 -4.77 -1.18 -4.97 116.67 114.55 3mkq s ASP 4 Ca -0.09 -1.47 -0.27 0.00 -3.30 0.00 0.00 52.55 47.42 3mkq s ASP 4 Cb -0.09 -2.15 -0.01 0.00 -1.09 0.00 0.00 42.92 39.58 3mkq s ASP 4 CO -0.12 -0.68 0.90 -0.63 0.70 0.00 0.00 175.17 175.34 3mkq s ILE 5 N 1.59 4.84 -0.07 2.11 1.01 -1.24 -3.84 121.20 125.60 3mkq s ILE 5 Ca 0.04 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.49 3mkq s ILE 5 Cb -0.25 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 3mkq s ILE 5 CO 0.05 0.01 -0.10 -0.54 0.00 0.00 0.00 174.94 174.36 3mkq s LYS 6 N 2.12 2.76 -0.78 2.79 1.02 -0.40 -4.96 119.74 122.28 3mkq s LYS 6 Ca 0.42 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 3mkq s LYS 6 Cb -0.17 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3mkq s LYS 6 CO 0.14 0.58 1.40 0.15 -0.92 0.00 0.00 175.35 176.71 3mkq s LYS 7 N -0.60 3.17 0.11 1.68 1.02 -1.26 -1.64 119.74 122.22 3mkq s LYS 7 Ca 0.09 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.62 3mkq s LYS 7 Cb -0.11 -4.45 -0.04 0.00 -0.52 0.00 0.00 37.83 32.70 3mkq s LYS 7 CO 0.02 -2.27 1.55 1.15 -0.92 0.00 0.00 175.35 174.88 3mkq h THR 8 N 6.32 1.26 -1.22 2.17 2.02 -1.62 -3.46 112.91 118.38 3mkq h THR 8 Ca -0.18 -1.00 0.15 0.00 0.77 0.00 0.00 66.41 66.16 3mkq h THR 8 Cb 1.05 1.20 -0.26 0.00 -1.74 0.00 0.00 68.15 68.40 3mkq h THR 8 CO 1.30 0.33 0.33 0.12 0.37 0.00 0.00 175.52 177.97 3mkq s PHE 9 N -4.98 -0.58 -0.06 3.16 5.99 -0.98 -4.90 117.98 115.63 3mkq s PHE 9 Ca -0.13 1.07 0.03 0.00 0.00 0.00 0.00 56.93 57.90 3mkq s PHE 9 Cb 0.09 0.35 0.01 0.00 0.00 0.00 0.00 43.02 43.47 3mkq s PHE 9 CO 0.78 -0.29 -0.14 -1.54 -0.00 0.00 0.00 175.22 174.04 3mkq s SER 10 N 1.87 1.85 -0.04 6.13 1.04 -1.26 -0.72 113.70 122.57 3mkq s SER 10 Ca -0.06 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.10 3mkq s SER 10 Cb -0.05 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.36 3mkq s SER 10 CO -0.16 0.07 -0.13 0.21 0.98 0.00 0.00 173.24 174.21 3mkq s ASN 11 N 0.42 1.75 0.30 7.02 2.47 -0.03 -5.00 114.94 121.87 3mkq s ASN 11 Ca -0.10 -0.28 -0.28 0.00 0.42 0.00 0.00 52.86 52.62 3mkq s ASN 11 Cb -0.14 -0.55 -0.09 0.00 -1.45 0.00 0.00 41.25 39.02 3mkq s ASN 11 CO 0.03 0.10 0.96 -0.13 -3.72 0.00 0.00 177.10 174.34 3mkq s ARG 12 N 0.23 4.65 -0.04 0.43 1.81 -1.26 -1.52 118.95 123.25 3mkq s ARG 12 Ca -0.06 1.44 -0.15 0.00 -1.72 0.00 0.00 55.73 55.24 3mkq s ARG 12 Cb -0.11 -2.98 0.05 0.00 -0.45 0.00 0.00 34.95 31.45 3mkq s ARG 12 CO 0.02 0.33 0.67 -1.13 -0.68 0.00 0.00 175.30 174.51 3mkq n SER 13 N 0.89 -0.52 -4.68 0.23 3.41 -0.18 -4.89 113.62 107.88 3mkq n SER 13 Ca 0.01 -1.03 -0.29 0.00 -0.26 0.00 0.00 58.87 57.30 3mkq n SER 13 Cb 0.49 0.78 0.17 0.00 -0.26 0.00 0.00 64.21 65.39 3mkq n SER 13 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3mkq s ASP 14 N -2.47 2.84 0.03 4.04 -0.00 -1.26 -3.19 116.67 116.66 3mkq s ASP 14 Ca 0.16 1.34 -0.35 0.00 -0.00 0.00 0.00 52.55 53.70 3mkq s ASP 14 Cb -0.00 -2.02 -0.14 0.00 -0.00 0.00 0.00 42.92 40.76 3mkq s ASP 14 CO -0.01 -3.02 1.62 -1.14 -0.00 0.00 0.00 175.17 172.62 3mkq n ARG 15 N -4.12 1.81 -3.81 8.23 0.63 -0.16 -4.13 116.66 115.12 3mkq n ARG 15 Ca 0.06 0.66 -0.36 0.00 -0.92 0.00 0.00 57.85 57.29 3mkq n ARG 15 Cb 0.56 -2.41 -0.11 0.00 0.45 0.00 0.00 32.46 30.95 3mkq n ARG 15 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3mkq s VAL 16 N 1.93 4.77 -0.56 5.15 -7.23 -0.49 -1.16 120.40 122.80 3mkq s VAL 16 Ca 0.86 -0.02 0.19 0.00 -1.81 0.00 0.00 61.98 61.20 3mkq s VAL 16 Cb -0.79 -3.21 -0.25 0.00 0.56 0.00 0.00 36.38 32.69 3mkq s VAL 16 CO 0.47 0.36 0.67 0.29 -0.31 0.00 0.00 175.10 176.58 3mkq n LYS 17 N 4.41 0.64 -4.13 4.82 4.76 -0.48 -3.99 118.16 124.19 3mkq n LYS 17 Ca -0.16 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.06 3mkq n LYS 17 Cb 0.52 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 32.17 3mkq n LYS 17 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3mkq s GLY 18 N -3.38 0.71 -0.24 0.72 0.00 -1.11 -4.64 107.32 99.38 3mkq s GLY 18 Ca 0.02 -0.95 -0.26 0.00 0.00 0.00 0.00 44.72 43.52 3mkq s GLY 18 CO 0.80 -1.00 0.76 -1.50 0.00 0.00 0.00 173.10 172.16 3mkq s ILE 19 N -1.65 0.00 -0.00 0.90 2.07 -1.26 -2.26 121.20 119.00 3mkq s ILE 19 Ca -0.03 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.01 3mkq s ILE 19 Cb -0.08 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.55 3mkq s ILE 19 CO 0.01 0.00 0.43 -0.62 -1.91 0.00 0.00 174.94 172.84 3mkq s ASP 20 N 0.10 -0.33 0.02 4.50 2.15 -0.75 -4.61 116.67 117.76 3mkq s ASP 20 Ca -0.01 0.19 -0.00 0.00 0.43 0.00 0.00 52.55 53.16 3mkq s ASP 20 Cb -0.04 0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 42.94 3mkq s ASP 20 CO 0.01 -0.56 0.14 -0.36 -0.17 0.00 0.00 175.17 174.23 3mkq s PHE 21 N -1.71 3.39 0.19 -5.34 0.40 -1.26 0.11 117.98 113.77 3mkq s PHE 21 Ca -0.10 0.24 -0.18 0.00 -0.60 0.00 0.00 56.93 56.28 3mkq s PHE 21 Cb -0.03 -1.75 -0.08 0.00 0.51 0.00 0.00 43.02 41.68 3mkq s PHE 21 CO 0.03 0.58 0.67 -1.58 0.70 0.00 0.00 175.22 175.63 3mkq s HIS 22 N -1.33 3.65 0.03 0.36 5.65 -0.69 -4.85 115.29 118.09 3mkq s HIS 22 Ca 0.28 1.30 -0.20 0.00 0.25 0.00 0.00 55.06 56.69 3mkq s HIS 22 Cb -0.12 -2.55 -0.11 0.00 -1.18 0.00 0.00 32.58 28.62 3mkq s HIS 22 CO 0.20 0.38 1.23 -1.35 -0.65 0.00 0.00 174.74 174.54 3mkq h PRO 23 N 3.52 -0.69 0.00 2.88 0.11 -1.99 -3.38 132.00 132.46 3mkq h PRO 23 Ca -0.48 0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 3mkq h PRO 23 Cb 1.19 0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 3mkq h PRO 23 CO 0.65 -0.46 -1.47 0.25 -0.21 0.00 0.00 178.00 176.77 3mkq n THR 24 N -4.01 1.20 -4.07 -1.15 -2.24 -1.26 -4.90 114.28 97.84 3mkq n THR 24 Ca -0.09 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.65 3mkq n THR 24 Cb 0.28 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 3mkq n THR 24 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mkq s GLU 25 N -2.90 3.19 -0.32 -0.78 2.56 -1.26 -4.99 118.70 114.19 3mkq s GLU 25 Ca -0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 54.97 54.51 3mkq s GLU 25 Cb 0.09 -2.95 -0.15 0.00 2.00 0.00 0.00 34.13 33.11 3mkq s GLU 25 CO 0.81 0.69 2.61 -0.35 -0.56 0.00 0.00 175.26 178.46 3mkq n PRO 26 N 1.45 1.74 -4.28 4.30 -0.04 -1.26 -4.29 135.00 132.62 3mkq n PRO 26 Ca -0.15 -0.98 -0.23 0.00 -0.04 0.00 0.00 63.50 62.10 3mkq n PRO 26 Cb 0.53 -2.05 -0.07 0.00 -0.04 0.00 0.00 33.50 31.87 3mkq n PRO 26 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3mkq s TRP 27 N 1.99 2.73 -0.05 0.54 0.51 -1.26 -1.84 118.94 121.55 3mkq s TRP 27 Ca 0.48 -0.21 0.01 0.00 -2.12 0.00 0.00 56.10 54.26 3mkq s TRP 27 Cb 0.20 -1.22 0.02 0.00 -0.81 0.00 0.00 33.47 31.66 3mkq s TRP 27 CO -0.01 0.61 -0.07 0.54 -0.51 0.00 0.00 176.95 177.51 3mkq s VAL 28 N -2.25 0.70 -0.01 4.03 0.11 -0.52 -1.71 120.40 120.75 3mkq s VAL 28 Ca 0.31 -0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 3mkq s VAL 28 Cb -0.07 -0.69 -0.06 0.00 -1.53 0.00 0.00 36.38 34.03 3mkq s VAL 28 CO 0.20 0.26 0.49 -0.22 -3.33 0.00 0.00 175.10 172.50 3mkq s LEU 29 N 0.84 4.44 -0.10 2.54 2.96 0.29 -2.11 118.68 127.54 3mkq s LEU 29 Ca -0.12 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 3mkq s LEU 29 Cb -0.15 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.82 3mkq s LEU 29 CO 0.01 0.21 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.21 3mkq s THR 30 N -0.59 1.45 -0.14 3.68 2.01 0.52 -1.80 115.64 120.76 3mkq s THR 30 Ca 0.26 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 3mkq s THR 30 Cb -0.17 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 3mkq s THR 30 CO 0.15 0.43 -0.12 0.42 -0.69 0.00 0.00 174.62 174.81 3mkq s THR 31 N 0.96 3.11 0.25 -0.82 -4.23 -0.96 -0.17 115.64 113.78 3mkq s THR 31 Ca -0.07 -0.64 0.07 0.00 -1.18 0.00 0.00 61.69 59.87 3mkq s THR 31 Cb -0.15 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 3mkq s THR 31 CO -0.01 0.52 0.15 -0.76 -0.54 0.00 0.00 174.62 173.98 3mkq s LEU 32 N 0.41 3.68 0.46 4.79 1.43 0.65 -1.39 118.68 128.72 3mkq s LEU 32 Ca -0.10 -0.32 0.20 0.00 -1.03 0.00 0.00 54.13 52.88 3mkq s LEU 32 Cb -0.16 -2.22 1.10 0.00 0.03 0.00 0.00 46.19 44.94 3mkq s LEU 32 CO 0.05 -0.02 1.97 0.22 0.23 0.00 0.00 176.35 178.80 3mkq h TYR 33 N 1.66 0.00 0.00 0.29 3.20 -1.39 -1.89 116.97 118.84 3mkq h TYR 33 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3mkq h TYR 33 Cb 1.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3mkq h TYR 33 CO 0.58 0.21 0.00 -1.13 -1.64 0.00 0.00 178.16 176.18 3mkq n SER 34 N -3.93 0.15 0.00 -2.11 3.41 -1.26 -2.57 113.62 107.31 3mkq n SER 34 Ca -0.02 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3mkq n SER 34 Cb 0.30 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3mkq n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mkq n GLY 35 N 0.27 1.03 3.92 5.00 0.00 -0.87 -4.60 105.19 109.94 3mkq n GLY 35 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3mkq n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mkq s ARG 36 N -0.86 3.57 0.01 1.61 3.52 -1.26 -1.96 118.95 123.57 3mkq s ARG 36 Ca 0.00 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 3mkq s ARG 36 Cb 0.00 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 3mkq s ARG 36 CO 0.00 0.38 -0.11 0.14 -0.81 0.00 0.00 175.30 174.90 3mkq s VAL 37 N -1.86 0.84 -0.01 7.11 -7.23 0.13 -0.25 120.40 119.13 3mkq s VAL 37 Ca 0.40 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.91 3mkq s VAL 37 Cb -0.11 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.10 3mkq s VAL 37 CO 0.28 0.12 0.10 -1.83 -0.31 0.00 0.00 175.10 173.47 3mkq s GLU 38 N -0.55 0.35 -0.21 4.82 -1.05 0.76 -0.31 118.70 122.51 3mkq s GLU 38 Ca 0.02 -0.25 -0.05 0.00 -0.15 0.00 0.00 54.97 54.54 3mkq s GLU 38 Cb -0.05 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.76 3mkq s GLU 38 CO 0.00 -0.07 -0.01 0.42 0.95 0.00 0.00 175.26 176.55 3mkq s ILE 39 N -0.93 3.75 -0.04 1.83 1.01 -0.85 -0.36 121.20 125.61 3mkq s ILE 39 Ca -0.10 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.23 3mkq s ILE 39 Cb -0.06 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3mkq s ILE 39 CO 0.01 0.42 -0.22 0.26 0.00 0.00 0.00 174.94 175.41 3mkq s TRP 40 N 1.21 2.46 -0.54 3.97 0.52 -0.90 -0.39 118.94 125.27 3mkq s TRP 40 Ca 0.03 -0.40 -0.23 0.00 0.02 0.00 0.00 56.10 55.52 3mkq s TRP 40 Cb -0.15 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 3mkq s TRP 40 CO 0.00 -0.00 0.88 1.21 0.02 0.00 0.00 176.95 179.06 3mkq s ASN 41 N -0.56 6.32 0.02 2.95 3.04 -0.43 -1.44 114.94 124.84 3mkq s ASN 41 Ca 0.08 -0.45 0.20 0.00 0.04 0.00 0.00 52.86 52.73 3mkq s ASN 41 Cb -0.11 -2.41 0.85 0.00 -1.54 0.00 0.00 41.25 38.05 3mkq s ASN 41 CO 0.00 -1.15 1.64 0.00 -3.04 0.00 0.00 177.10 174.55 3mkq n TYR 42 N 7.19 0.06 -0.03 0.43 0.18 -0.77 -0.90 117.16 123.32 3mkq n TYR 42 Ca 0.00 0.02 -0.21 0.00 1.88 0.00 0.00 57.90 59.59 3mkq n TYR 42 Cb 0.47 -0.54 -0.13 0.00 -0.38 0.00 0.00 39.34 38.76 3mkq n TYR 42 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3mkq n GLU 43 N -1.55 0.72 0.00 -3.48 1.02 -1.26 -4.11 120.64 111.98 3mkq n GLU 43 Ca 0.05 0.29 0.13 0.00 -0.02 0.00 0.00 57.16 57.61 3mkq n GLU 43 Cb 0.24 -1.69 0.36 0.00 -0.02 0.00 0.00 31.44 30.32 3mkq n GLU 43 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3mkq n THR 44 N -3.61 0.00 -2.95 2.62 -2.24 -1.23 -4.94 114.28 101.92 3mkq n THR 44 Ca -0.34 -0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 3mkq n THR 44 Cb 0.99 0.47 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 3mkq n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mkq n GLN 45 N -0.55 -3.66 -4.89 -0.78 6.02 -0.08 -4.97 117.38 108.47 3mkq n GLN 45 Ca 0.12 0.75 -0.33 0.00 -0.01 0.00 0.00 57.00 57.53 3mkq n GLN 45 Cb 0.36 -5.50 -0.14 0.00 1.02 0.00 0.00 30.24 25.97 3mkq n GLN 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3mkq s VAL 46 N -3.00 2.90 -0.19 5.09 1.01 -1.08 -4.95 120.40 120.17 3mkq s VAL 46 Ca 0.25 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 3mkq s VAL 46 Cb -0.12 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3mkq s VAL 46 CO 0.30 0.55 1.25 -0.70 0.00 0.00 0.00 175.10 176.51 3mkq s GLU 47 N -0.06 4.18 0.02 2.72 2.12 -1.26 -1.32 118.70 125.11 3mkq s GLU 47 Ca -0.03 1.57 -0.21 0.00 0.36 0.00 0.00 54.97 56.66 3mkq s GLU 47 Cb -0.14 -3.77 -0.11 0.00 0.26 0.00 0.00 34.13 30.36 3mkq s GLU 47 CO 0.04 -0.77 1.12 0.28 -0.54 0.00 0.00 175.26 175.39 3mkq h VAL 48 N 5.57 0.00 -3.55 3.70 2.07 -1.07 -3.48 116.25 119.49 3mkq h VAL 48 Ca -0.26 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3mkq h VAL 48 Cb 1.10 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3mkq h VAL 48 CO 0.98 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 178.57 3mkq s ARG 49 N -4.32 1.85 0.01 1.57 1.70 -1.19 -5.02 118.95 113.54 3mkq s ARG 49 Ca -0.11 -1.41 -0.01 0.00 -0.47 0.00 0.00 55.73 53.73 3mkq s ARG 49 Cb 0.01 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3mkq s ARG 49 CO 0.33 -0.80 0.02 0.45 -1.08 0.00 0.00 175.30 174.21 3mkq s SER 50 N -3.08 0.11 -0.16 -2.89 0.15 -1.26 -2.00 113.70 104.56 3mkq s SER 50 Ca 0.22 -0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 3mkq s SER 50 Cb -0.02 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.46 3mkq s SER 50 CO 0.12 -0.20 0.35 -0.63 1.20 0.00 0.00 173.24 174.09 3mkq s ILE 51 N -0.88 -0.34 -1.01 6.45 1.01 0.58 -4.99 121.20 122.02 3mkq s ILE 51 Ca -0.10 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 3mkq s ILE 51 Cb -0.06 -0.55 0.15 0.00 0.01 0.00 0.00 42.46 42.01 3mkq s ILE 51 CO -0.00 0.07 1.21 -1.58 0.00 0.00 0.00 174.94 174.64 3mkq s GLN 52 N 2.06 3.75 0.44 2.79 2.00 -1.26 0.22 119.66 129.67 3mkq s GLN 52 Ca -0.04 -2.04 0.27 0.00 -2.00 0.00 0.00 55.36 51.55 3mkq s GLN 52 Cb -0.11 -4.94 0.82 0.00 0.80 0.00 0.00 33.01 29.58 3mkq s GLN 52 CO -0.11 -1.75 1.77 -0.39 -0.50 0.00 0.00 175.29 174.31 3mkq h VAL 53 N 5.43 0.00 -2.40 1.34 -1.51 -1.75 -3.48 116.25 113.88 3mkq h VAL 53 Ca 0.20 -0.69 0.21 0.00 -1.23 0.00 0.00 66.70 65.19 3mkq h VAL 53 Cb 0.98 1.67 -0.05 0.00 -2.13 0.00 0.00 31.29 31.76 3mkq h VAL 53 CO 1.14 0.00 0.66 0.28 -1.23 0.00 0.00 177.57 178.41 3mkq s THR 54 N -3.37 0.00 -0.35 7.19 -1.32 -1.07 -5.04 115.64 111.68 3mkq s THR 54 Ca 0.05 -0.49 0.22 0.00 -1.21 0.00 0.00 61.69 60.26 3mkq s THR 54 Cb 0.08 -2.83 -0.29 0.00 -1.51 0.00 0.00 72.50 67.95 3mkq s THR 54 CO 0.59 0.00 0.65 -0.62 -2.21 0.00 0.00 174.62 173.03 3mkq n GLU 55 N -0.72 0.45 -2.58 7.08 -0.58 -1.26 -4.21 120.64 118.82 3mkq n GLU 55 Ca -0.02 -0.12 -0.25 0.00 -0.42 0.00 0.00 57.16 56.35 3mkq n GLU 55 Cb 0.59 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 29.97 3mkq n GLU 55 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3mkq s THR 56 N -3.35 3.57 0.40 2.62 -4.23 -1.26 -4.52 115.64 108.87 3mkq s THR 56 Ca -0.03 -0.22 -0.25 0.00 -1.18 0.00 0.00 61.69 60.02 3mkq s THR 56 Cb 0.14 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.51 3mkq s THR 56 CO 0.89 -0.35 1.10 -2.16 -0.54 0.00 0.00 174.62 173.56 3mkq s PRO 57 N -4.86 4.11 -0.42 3.99 0.04 -1.06 -2.94 135.00 133.85 3mkq s PRO 57 Ca 0.53 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 3mkq s PRO 57 Cb -0.10 -2.60 0.07 0.00 0.04 0.00 0.00 34.50 31.90 3mkq s PRO 57 CO 0.42 -0.23 0.28 0.08 0.04 0.00 0.00 177.00 177.59 3mkq s VAL 58 N -1.54 4.48 -0.26 -0.36 1.01 -0.77 -1.44 120.40 121.52 3mkq s VAL 58 Ca 0.58 -1.24 0.19 0.00 0.00 0.00 0.00 61.98 61.51 3mkq s VAL 58 Cb -0.26 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.56 3mkq s VAL 58 CO 0.32 -0.47 1.38 0.03 0.00 0.00 0.00 175.10 176.36 3mkq h ARG 59 N 8.48 0.00 -5.51 2.72 3.08 -1.68 -3.37 114.38 118.10 3mkq h ARG 59 Ca -0.24 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.34 3mkq h ARG 59 Cb 1.09 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.90 3mkq h ARG 59 CO 0.76 0.23 -0.80 0.00 -1.07 0.00 0.00 179.97 179.10 3mkq s ALA 60 N -3.10 1.31 -0.23 0.04 0.00 -1.06 -3.92 121.76 114.80 3mkq s ALA 60 Ca 0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 3mkq s ALA 60 Cb 0.07 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.06 3mkq s ALA 60 CO 0.73 0.25 0.57 0.20 0.00 0.00 0.00 175.76 177.51 3mkq s GLY 61 N -1.27 -0.48 0.00 0.00 0.00 -1.26 -1.58 107.32 102.73 3mkq s GLY 61 Ca 0.02 1.93 -0.02 0.00 0.00 0.00 0.00 44.72 46.65 3mkq s GLY 61 CO 0.02 1.91 0.04 0.54 0.00 0.00 0.00 173.10 175.61 3mkq s LYS 62 N 1.22 0.29 0.11 2.90 -0.14 0.14 -4.54 119.74 119.72 3mkq s LYS 62 Ca -0.07 -0.37 -0.18 0.00 -1.36 0.00 0.00 55.97 53.99 3mkq s LYS 62 Cb -0.06 0.11 -0.07 0.00 -1.68 0.00 0.00 37.83 36.13 3mkq s LYS 62 CO -0.12 -0.06 0.58 -0.06 -0.76 0.00 0.00 175.35 174.93 3mkq s PHE 63 N -1.04 3.73 -0.50 3.18 0.40 -1.26 0.86 117.98 123.34 3mkq s PHE 63 Ca -0.11 1.22 0.08 0.00 -0.60 0.00 0.00 56.93 57.51 3mkq s PHE 63 Cb -0.07 -2.47 0.31 0.00 0.51 0.00 0.00 43.02 41.31 3mkq s PHE 63 CO -0.00 0.51 0.79 -0.89 0.70 0.00 0.00 175.22 176.33 3mkq n ILE 64 N 1.31 1.44 -0.32 0.64 5.41 -0.26 -4.89 119.36 122.68 3mkq n ILE 64 Ca -0.08 -5.00 0.25 0.00 1.00 0.00 0.00 62.75 58.92 3mkq n ILE 64 Cb 0.51 -1.25 0.46 0.00 -0.71 0.00 0.00 39.64 38.65 3mkq n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mkq n ALA 65 N 0.33 0.81 0.00 -1.39 0.00 -1.26 0.10 120.51 119.10 3mkq n ALA 65 Ca 0.28 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.73 3mkq n ALA 65 Cb 0.50 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3mkq n ALA 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mkq n ARG 66 N -5.30 0.00 0.00 0.00 1.74 -1.26 -1.37 116.66 110.47 3mkq n ARG 66 Ca 0.32 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3mkq n ARG 66 Cb 1.06 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3mkq n ARG 66 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mkq n LYS 67 N -0.80 0.00 -2.17 5.56 4.76 0.12 -5.01 118.16 120.61 3mkq n LYS 67 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3mkq n LYS 67 Cb 0.00 -0.24 -0.01 0.00 -1.84 0.00 0.00 35.03 32.94 3mkq n LYS 67 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3mkq n ASN 68 N 0.00 -3.89 -4.78 4.39 5.03 -0.47 -4.94 115.26 110.60 3mkq n ASN 68 Ca 0.00 0.01 -0.22 0.00 0.87 0.00 0.00 54.58 55.24 3mkq n ASN 68 Cb 0.16 -3.06 -0.05 0.00 -1.02 0.00 0.00 39.78 35.80 3mkq n ASN 68 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3mkq s TRP 69 N -2.59 2.77 -0.06 3.10 0.51 -1.18 0.28 118.94 121.77 3mkq s TRP 69 Ca 0.00 -0.36 0.00 0.00 -2.12 0.00 0.00 56.10 53.62 3mkq s TRP 69 Cb 0.00 -1.71 0.02 0.00 -0.81 0.00 0.00 33.47 30.97 3mkq s TRP 69 CO 0.00 0.27 -0.04 0.96 -0.51 0.00 0.00 176.95 177.63 3mkq s ILE 70 N -2.39 0.56 -0.12 2.03 -4.36 -0.67 -1.10 121.20 115.16 3mkq s ILE 70 Ca 0.39 -0.09 -0.04 0.00 -0.26 0.00 0.00 60.65 60.65 3mkq s ILE 70 Cb -0.04 -0.62 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 3mkq s ILE 70 CO 0.24 0.25 0.03 -0.51 0.24 0.00 0.00 174.94 175.20 3mkq s ILE 71 N 1.26 4.57 0.03 8.37 2.07 0.25 -1.44 121.20 136.29 3mkq s ILE 71 Ca -0.06 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 3mkq s ILE 71 Cb -0.14 -2.97 -0.02 0.00 0.13 0.00 0.00 42.46 39.47 3mkq s ILE 71 CO -0.02 0.57 -0.07 0.54 -1.91 0.00 0.00 174.94 174.04 3mkq s VAL 72 N -0.51 0.54 -0.03 4.00 0.11 0.93 -0.68 120.40 124.75 3mkq s VAL 72 Ca 0.10 -0.77 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 3mkq s VAL 72 Cb -0.12 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 3mkq s VAL 72 CO 0.02 -0.18 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.62 3mkq s GLY 73 N -1.03 0.89 0.37 6.54 0.00 -0.61 0.54 107.32 114.02 3mkq s GLY 73 Ca -0.05 -0.70 0.07 0.00 0.00 0.00 0.00 44.72 44.03 3mkq s GLY 73 CO 0.00 -0.44 0.24 -1.14 0.00 0.00 0.00 173.10 171.76 3mkq n SER 74 N 2.97 -0.03 0.00 1.64 3.41 -0.85 -2.19 113.62 118.57 3mkq n SER 74 Ca -0.17 -3.23 0.09 0.00 -0.26 0.00 0.00 58.87 55.30 3mkq n SER 74 Cb 0.53 1.47 0.52 0.00 -0.26 0.00 0.00 64.21 66.47 3mkq n SER 74 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mkq n ASP 75 N -1.61 0.00 0.15 4.04 8.00 -0.52 -1.92 116.55 124.69 3mkq n ASP 75 Ca 0.03 -0.38 0.13 0.00 0.71 0.00 0.00 54.79 55.28 3mkq n ASP 75 Cb 0.62 -0.09 0.47 0.00 -0.02 0.00 0.00 41.12 42.10 3mkq n ASP 75 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3mkq h ASP 76 N 0.00 0.00 0.00 -2.24 3.45 -1.93 -3.44 116.42 112.26 3mkq h ASP 76 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3mkq h ASP 76 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3mkq h ASP 76 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 3mkq n PHE 77 N -2.45 0.00 -4.06 4.55 3.72 -0.81 -5.00 117.46 113.42 3mkq n PHE 77 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.13 3mkq n PHE 77 Cb 0.33 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.80 3mkq n PHE 77 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3mkq s ARG 78 N -0.58 2.84 -0.24 -1.08 0.52 -1.24 -0.33 118.95 118.83 3mkq s ARG 78 Ca 0.00 -0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 54.43 3mkq s ARG 78 Cb 0.00 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 3mkq s ARG 78 CO 0.00 0.56 0.05 0.42 0.02 0.00 0.00 175.30 176.36 3mkq s ILE 79 N -1.38 4.20 -0.08 1.52 1.01 -0.21 -2.00 121.20 124.27 3mkq s ILE 79 Ca 0.29 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.78 3mkq s ILE 79 Cb -0.12 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3mkq s ILE 79 CO 0.22 0.36 -0.24 -0.13 0.00 0.00 0.00 174.94 175.14 3mkq s ARG 80 N 1.51 2.81 -0.08 2.79 0.52 0.19 -2.51 118.95 124.17 3mkq s ARG 80 Ca 0.06 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 3mkq s ARG 80 Cb -0.15 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 3mkq s ARG 80 CO 0.03 0.28 -0.08 0.08 0.02 0.00 0.00 175.30 175.63 3mkq s VAL 81 N 0.09 3.59 0.22 3.52 1.01 -0.66 -0.05 120.40 128.12 3mkq s VAL 81 Ca -0.11 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3mkq s VAL 81 Cb -0.16 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3mkq s VAL 81 CO 0.06 0.58 -0.03 -0.36 0.00 0.00 0.00 175.10 175.35 3mkq s PHE 82 N -0.54 1.55 -0.24 5.22 0.40 -0.52 -0.04 117.98 123.80 3mkq s PHE 82 Ca 0.08 -0.86 -0.08 0.00 -0.60 0.00 0.00 56.93 55.47 3mkq s PHE 82 Cb -0.12 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 3mkq s PHE 82 CO 0.02 0.02 0.09 1.21 0.70 0.00 0.00 175.22 177.26 3mkq s ASN 83 N -3.29 5.39 0.00 1.36 3.84 -0.55 -1.67 114.94 120.01 3mkq s ASN 83 Ca 0.26 -0.12 0.23 0.00 0.21 0.00 0.00 52.86 53.44 3mkq s ASN 83 Cb 0.05 -1.97 1.01 0.00 -0.55 0.00 0.00 41.25 39.79 3mkq s ASN 83 CO 0.07 -0.00 1.75 0.00 -2.79 0.00 0.00 177.10 176.13 3mkq n TYR 84 N 4.72 0.00 -0.08 0.43 0.18 0.14 -0.61 117.16 121.95 3mkq n TYR 84 Ca -0.16 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.51 3mkq n TYR 84 Cb 0.52 -0.48 -0.07 0.00 -0.38 0.00 0.00 39.34 38.93 3mkq n TYR 84 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 3mkq h ASN 85 N 0.00 0.00 1.28 9.48 2.35 -1.95 -3.40 115.58 123.34 3mkq h ASN 85 Ca 0.00 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 3mkq h ASN 85 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3mkq h ASN 85 CO 0.00 0.98 -0.74 0.71 -1.65 0.00 0.00 177.43 176.73 3mkq h THR 86 N -1.00 0.17 0.00 2.81 1.35 -1.93 -3.48 112.91 110.83 3mkq h THR 86 Ca -0.11 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3mkq h THR 86 Cb 0.76 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3mkq h THR 86 CO -0.06 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3mkq n GLY 87 N 1.20 0.96 3.76 5.82 0.00 0.22 -5.01 105.19 112.14 3mkq n GLY 87 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3mkq n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mkq s GLU 88 N -0.03 4.52 -0.20 1.61 0.41 -1.25 -4.74 118.70 119.01 3mkq s GLU 88 Ca 0.00 1.73 -0.28 0.00 -0.41 0.00 0.00 54.97 56.01 3mkq s GLU 88 Cb 0.00 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 3mkq s GLU 88 CO 0.00 0.12 1.00 0.21 -0.49 0.00 0.00 175.26 176.10 3mkq s LYS 89 N -1.71 4.29 0.02 1.61 2.20 -1.26 -1.49 119.74 123.41 3mkq s LYS 89 Ca 0.48 1.31 -0.07 0.00 -0.36 0.00 0.00 55.97 57.33 3mkq s LYS 89 Cb -0.29 -3.61 -0.30 0.00 -1.51 0.00 0.00 37.83 32.12 3mkq s LYS 89 CO 0.38 -0.52 0.93 0.28 -0.36 0.00 0.00 175.35 176.05 3mkq h VAL 90 N 5.34 1.24 -2.99 4.02 2.07 -0.78 -3.49 116.25 121.67 3mkq h VAL 90 Ca -0.23 -2.81 -0.02 0.00 0.82 0.00 0.00 66.70 64.45 3mkq h VAL 90 Cb 1.09 2.86 -0.12 0.00 -1.52 0.00 0.00 31.29 33.59 3mkq h VAL 90 CO 0.93 0.84 0.20 0.54 0.02 0.00 0.00 177.57 180.10 3mkq s VAL 91 N -2.62 0.00 -0.29 2.57 0.11 -1.18 -4.98 120.40 114.02 3mkq s VAL 91 Ca -0.09 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 3mkq s VAL 91 Cb 0.06 -1.01 0.18 0.00 -1.53 0.00 0.00 36.38 34.09 3mkq s VAL 91 CO 0.88 -0.01 0.56 -0.62 -3.33 0.00 0.00 175.10 172.57 3mkq s ASP 92 N -2.70 -1.08 0.21 3.54 -1.08 -1.26 -1.65 116.67 112.65 3mkq s ASP 92 Ca 0.01 0.68 -0.07 0.00 -0.52 0.00 0.00 52.55 52.65 3mkq s ASP 92 Cb -0.01 1.95 -0.02 0.00 -1.46 0.00 0.00 42.92 43.38 3mkq s ASP 92 CO -0.12 -0.27 0.29 0.72 0.52 0.00 0.00 175.17 176.30 3mkq s PHE 93 N 2.80 0.73 -0.40 -5.34 -0.12 -1.05 -5.01 117.98 109.60 3mkq s PHE 93 Ca 0.18 -1.03 -0.21 0.00 -0.05 0.00 0.00 56.93 55.82 3mkq s PHE 93 Cb -0.15 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.06 3mkq s PHE 93 CO -0.21 -0.79 0.65 -2.00 -0.05 0.00 0.00 175.22 172.83 3mkq s GLU 94 N -4.07 3.50 0.00 1.99 2.12 -1.26 -1.04 118.70 119.93 3mkq s GLU 94 Ca 0.29 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 3mkq s GLU 94 Cb 0.03 -3.88 -0.34 0.00 0.26 0.00 0.00 34.13 30.21 3mkq s GLU 94 CO 0.09 -0.88 0.89 0.00 -0.54 0.00 0.00 175.26 174.82 3mkq h ALA 95 N 8.67 -0.07 -2.45 6.30 0.00 -1.01 -3.48 119.26 127.23 3mkq h ALA 95 Ca -0.26 -0.94 -0.17 0.00 0.00 0.00 0.00 54.91 53.55 3mkq h ALA 95 Cb 1.10 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 3mkq h ALA 95 CO 0.87 0.77 -0.59 -1.01 0.00 0.00 0.00 179.25 179.29 3mkq s HIS 96 N -2.58 0.76 -0.89 0.00 3.76 -1.11 -5.03 115.29 110.20 3mkq s HIS 96 Ca -0.12 -1.14 0.06 0.00 -0.15 0.00 0.00 55.06 53.71 3mkq s HIS 96 Cb 0.04 -0.40 0.32 0.00 1.11 0.00 0.00 32.58 33.65 3mkq s HIS 96 CO 0.91 -0.55 1.03 -0.35 -0.85 0.00 0.00 174.74 174.94 3mkq n PRO 97 N -0.10 2.44 -3.85 8.40 -0.04 -1.26 -4.70 135.00 135.88 3mkq n PRO 97 Ca -0.06 -1.23 -0.09 0.00 -0.04 0.00 0.00 63.50 62.07 3mkq n PRO 97 Cb 0.63 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 3mkq n PRO 97 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3mkq s ASP 98 N -0.41 0.11 0.45 3.54 3.68 -1.26 -4.99 116.67 117.78 3mkq s ASP 98 Ca 0.21 -1.15 -0.23 0.00 2.13 0.00 0.00 52.55 53.52 3mkq s ASP 98 Cb 0.16 0.82 -0.10 0.00 -1.45 0.00 0.00 42.92 42.34 3mkq s ASP 98 CO 0.07 -1.61 0.88 -1.22 0.13 0.00 0.00 175.17 173.43 3mkq n TYR 99 N -0.53 0.69 -3.74 -5.34 0.53 -1.26 -4.55 117.16 102.96 3mkq n TYR 99 Ca -0.07 0.55 -0.36 0.00 -1.02 0.00 0.00 57.90 57.00 3mkq n TYR 99 Cb 0.60 -2.15 -0.11 0.00 -1.03 0.00 0.00 39.34 36.65 3mkq n TYR 99 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3mkq s ILE 100 N -1.36 4.92 -0.20 -0.72 1.01 -1.25 -1.00 121.20 122.59 3mkq s ILE 100 Ca 0.65 0.03 0.10 0.00 0.00 0.00 0.00 60.65 61.43 3mkq s ILE 100 Cb -0.55 -3.30 -0.22 0.00 0.01 0.00 0.00 42.46 38.41 3mkq s ILE 100 CO 0.56 0.34 0.02 0.54 0.00 0.00 0.00 174.94 176.40 3mkq n ARG 101 N 4.54 0.68 -3.81 2.79 5.12 0.15 -4.56 116.66 121.57 3mkq n ARG 101 Ca -0.15 0.09 -0.12 0.00 -1.93 0.00 0.00 57.85 55.73 3mkq n ARG 101 Cb 0.52 -1.55 -0.11 0.00 -1.16 0.00 0.00 32.46 30.16 3mkq n ARG 101 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3mkq s SER 102 N -5.99 -0.17 -0.02 0.55 0.15 -1.11 -4.50 113.70 102.61 3mkq s SER 102 Ca -0.19 0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.70 3mkq s SER 102 Cb 0.07 0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3mkq s SER 102 CO 0.74 -0.24 -0.09 -0.63 1.20 0.00 0.00 173.24 174.23 3mkq s ILE 103 N -0.58 0.75 0.00 6.45 1.01 -1.26 -0.31 121.20 127.27 3mkq s ILE 103 Ca -0.07 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.25 3mkq s ILE 103 Cb -0.04 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 3mkq s ILE 103 CO 0.01 0.23 -0.11 0.00 0.00 0.00 0.00 174.94 175.07 3mkq s ALA 104 N 0.02 0.95 -0.17 9.38 0.00 0.24 -4.90 121.76 127.28 3mkq s ALA 104 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 3mkq s ALA 104 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 3mkq s ALA 104 CO 0.00 0.22 0.02 0.08 0.00 0.00 0.00 175.76 176.08 3mkq s VAL 105 N -0.38 4.36 0.25 0.00 1.01 -1.26 -0.63 120.40 123.75 3mkq s VAL 105 Ca 0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3mkq s VAL 105 Cb -0.05 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 3mkq s VAL 105 CO -0.00 0.47 1.26 -2.28 0.00 0.00 0.00 175.10 174.55 3mkq s HIS 106 N 0.42 3.26 -0.72 5.22 2.46 -0.77 -4.92 115.29 120.24 3mkq s HIS 106 Ca -0.00 1.38 0.25 0.00 0.47 0.00 0.00 55.06 57.15 3mkq s HIS 106 Cb -0.13 -3.56 0.91 0.00 -0.13 0.00 0.00 32.58 29.67 3mkq s HIS 106 CO 0.02 -1.59 1.75 -0.35 -2.47 0.00 0.00 174.74 172.10 3mkq n PRO 107 N 1.83 0.18 0.00 2.88 -0.04 -1.26 -4.34 135.00 134.25 3mkq n PRO 107 Ca 0.03 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3mkq n PRO 107 Cb 0.43 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3mkq n PRO 107 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3mkq n THR 108 N -2.08 0.00 -4.02 0.52 -1.04 -1.26 -5.08 114.28 101.31 3mkq n THR 108 Ca 0.05 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.84 3mkq n THR 108 Cb 0.34 -0.45 -0.04 0.00 -1.82 0.00 0.00 70.33 68.35 3mkq n THR 108 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3mkq s LYS 109 N -1.47 2.78 0.00 -2.82 1.02 -1.26 -5.00 119.74 112.99 3mkq s LYS 109 Ca 0.00 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 54.79 3mkq s LYS 109 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3mkq s LYS 109 CO 0.00 0.27 2.23 -0.35 -0.92 0.00 0.00 175.35 176.58 3mkq n PRO 110 N -1.23 1.14 -3.85 -1.68 -0.04 -1.26 -4.49 135.00 123.59 3mkq n PRO 110 Ca -0.05 -0.14 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 3mkq n PRO 110 Cb 0.59 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 3mkq n PRO 110 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mkq s TYR 111 N 0.15 3.52 -0.03 0.54 2.02 -1.26 -1.48 117.35 120.80 3mkq s TYR 111 Ca 0.09 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.13 3mkq s TYR 111 Cb 0.05 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3mkq s TYR 111 CO 0.00 0.56 0.07 0.54 -1.57 0.00 0.00 175.55 175.15 3mkq s VAL 112 N -1.51 -0.00 -0.00 0.71 0.11 -0.42 -1.86 120.40 117.43 3mkq s VAL 112 Ca 0.35 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.47 3mkq s VAL 112 Cb -0.13 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 3mkq s VAL 112 CO 0.25 0.00 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.07 3mkq s LEU 113 N 0.08 2.47 -0.02 2.54 1.43 0.19 -0.99 118.68 124.39 3mkq s LEU 113 Ca -0.00 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3mkq s LEU 113 Cb -0.01 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 3mkq s LEU 113 CO -0.00 0.30 -0.10 -0.94 0.23 0.00 0.00 176.35 175.84 3mkq s SER 114 N -1.00 1.28 -0.09 2.29 1.04 -0.82 -0.59 113.70 115.80 3mkq s SER 114 Ca 0.12 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.36 3mkq s SER 114 Cb -0.10 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 3mkq s SER 114 CO 0.02 0.10 -0.10 -0.83 0.98 0.00 0.00 173.24 173.40 3mkq s GLY 115 N 0.00 1.60 0.20 7.32 0.00 0.57 -1.32 107.32 115.70 3mkq s GLY 115 Ca -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3mkq s GLY 115 CO 0.00 -0.47 0.01 -0.45 0.00 0.00 0.00 173.10 172.18 3mkq s SER 116 N -0.28 1.47 0.00 1.64 0.15 -1.03 0.33 113.70 115.97 3mkq s SER 116 Ca 0.03 -1.21 0.20 0.00 0.70 0.00 0.00 55.95 55.68 3mkq s SER 116 Cb -0.13 0.08 1.10 0.00 -1.71 0.00 0.00 66.02 65.36 3mkq s SER 116 CO 0.03 -0.56 1.64 0.47 1.20 0.00 0.00 173.24 176.02 3mkq n ASP 117 N -0.33 0.00 -0.24 5.45 8.00 -0.17 -2.29 116.55 126.97 3mkq n ASP 117 Ca -0.05 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3mkq n ASP 117 Cb 0.64 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3mkq n ASP 117 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3mkq n ASP 118 N -1.19 0.45 0.00 -2.24 5.75 -1.26 -4.61 116.55 113.45 3mkq n ASP 118 Ca 0.12 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3mkq n ASP 118 Cb 0.13 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3mkq n ASP 118 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3mkq n LEU 119 N -0.25 0.44 -4.64 -2.12 4.32 -1.09 -4.99 117.00 108.68 3mkq n LEU 119 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 3mkq n LEU 119 Cb 0.11 -1.09 -0.09 0.00 -1.62 0.00 0.00 43.42 40.73 3mkq n LEU 119 CO 0.00 -0.35 -0.25 0.42 -1.22 0.00 0.00 177.39 175.99 3mkq s THR 120 N -2.01 1.21 -0.05 -5.08 -4.23 -1.25 -4.07 115.64 100.15 3mkq s THR 120 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3mkq s THR 120 Cb 0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3mkq s THR 120 CO 0.00 0.00 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 3mkq s VAL 121 N -2.97 1.21 -0.00 2.29 1.01 -0.86 -2.46 120.40 118.62 3mkq s VAL 121 Ca 0.19 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3mkq s VAL 121 Cb 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3mkq s VAL 121 CO 0.10 0.36 -0.25 -0.54 0.00 0.00 0.00 175.10 174.77 3mkq s LYS 122 N 0.27 1.96 -0.26 2.72 1.02 -0.43 0.14 119.74 125.16 3mkq s LYS 122 Ca -0.07 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 3mkq s LYS 122 Cb -0.12 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3mkq s LYS 122 CO 0.02 0.53 0.01 -1.17 -0.92 0.00 0.00 175.35 173.83 3mkq s LEU 123 N -0.76 3.42 -0.14 3.17 1.98 0.81 -1.94 118.68 125.23 3mkq s LEU 123 Ca 0.10 -0.64 -0.02 0.00 -2.89 0.00 0.00 54.13 50.68 3mkq s LEU 123 Cb -0.10 -1.79 -0.02 0.00 0.66 0.00 0.00 46.19 44.94 3mkq s LEU 123 CO -0.00 -0.12 -0.08 0.26 -1.89 0.00 0.00 176.35 174.52 3mkq s TRP 124 N 1.46 2.93 -0.37 5.38 0.52 -0.16 -0.67 118.94 128.03 3mkq s TRP 124 Ca 0.03 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 3mkq s TRP 124 Cb -0.16 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.28 3mkq s TRP 124 CO -0.01 -0.06 0.24 1.21 0.02 0.00 0.00 176.95 178.35 3mkq s ASN 125 N 0.23 5.89 0.10 2.95 3.84 -0.97 -1.29 114.94 125.70 3mkq s ASN 125 Ca -0.05 -0.80 0.27 0.00 0.21 0.00 0.00 52.86 52.49 3mkq s ASN 125 Cb -0.14 -2.09 0.92 0.00 -0.55 0.00 0.00 41.25 39.38 3mkq s ASN 125 CO 0.04 -0.36 1.77 -2.67 -2.79 0.00 0.00 177.10 173.09 3mkq n TRP 126 N 5.07 0.47 0.75 0.43 2.14 -0.55 -0.46 117.44 125.29 3mkq n TRP 126 Ca -0.12 0.14 0.08 0.00 2.07 0.00 0.00 57.50 59.67 3mkq n TRP 126 Cb 0.47 -0.70 0.24 0.00 -0.81 0.00 0.00 31.31 30.52 3mkq n TRP 126 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3mkq n GLU 127 N -1.90 1.97 -0.43 -2.67 1.02 -1.26 -3.33 120.64 114.04 3mkq n GLU 127 Ca 0.06 -1.49 0.07 0.00 -0.02 0.00 0.00 57.16 55.77 3mkq n GLU 127 Cb 0.39 -1.36 0.14 0.00 -0.02 0.00 0.00 31.44 30.58 3mkq n GLU 127 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3mkq n ASN 128 N 0.71 1.73 -0.50 1.62 2.85 -1.00 -4.93 115.26 115.74 3mkq n ASN 128 Ca 0.15 -3.14 -0.06 0.00 -0.11 0.00 0.00 54.58 51.41 3mkq n ASN 128 Cb 0.37 -0.43 -0.03 0.00 1.24 0.00 0.00 39.78 40.94 3mkq n ASN 128 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3mkq n ASN 129 N -0.98 -3.82 -2.21 1.20 4.05 -1.21 -3.17 115.26 109.12 3mkq n ASN 129 Ca 0.14 0.16 -0.13 0.00 0.45 0.00 0.00 54.58 55.21 3mkq n ASN 129 Cb 0.71 -1.89 0.04 0.00 1.23 0.00 0.00 39.78 39.88 3mkq n ASN 129 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 3mkq n TRP 130 N -2.80 -1.55 -2.31 1.20 7.02 0.40 -4.98 117.44 114.42 3mkq n TRP 130 Ca -0.06 0.55 -0.34 0.00 -1.02 0.00 0.00 57.50 56.62 3mkq n TRP 130 Cb 0.22 -3.27 -0.01 0.00 -2.42 0.00 0.00 31.31 25.84 3mkq n TRP 130 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mkq s ALA 131 N -3.18 2.74 -0.78 6.99 0.00 -1.07 -4.68 121.76 121.79 3mkq s ALA 131 Ca 0.29 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 3mkq s ALA 131 Cb -0.13 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3mkq s ALA 131 CO 0.40 -0.65 1.21 -1.17 0.00 0.00 0.00 175.76 175.55 3mkq s LEU 132 N -3.80 3.72 0.33 0.00 1.98 -1.26 -2.28 118.68 117.36 3mkq s LEU 132 Ca 0.70 -0.91 0.18 0.00 -2.89 0.00 0.00 54.13 51.21 3mkq s LEU 132 Cb -0.20 -2.51 0.36 0.00 0.66 0.00 0.00 46.19 44.50 3mkq s LEU 132 CO 0.26 -1.61 1.58 -0.08 -1.89 0.00 0.00 176.35 174.61 3mkq h GLU 133 N 9.76 0.00 -1.50 1.98 4.81 -1.26 -3.47 114.58 124.89 3mkq h GLU 133 Ca -0.16 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3mkq h GLU 133 Cb 1.05 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.18 3mkq h GLU 133 CO 1.26 0.42 0.58 -1.14 -0.73 0.00 0.00 179.01 179.40 3mkq s GLN 134 N -3.23 0.51 -0.14 1.92 0.74 -1.16 -4.98 119.66 113.32 3mkq s GLN 134 Ca 0.02 0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.67 3mkq s GLN 134 Cb 0.09 0.24 0.02 0.00 1.10 0.00 0.00 33.01 34.46 3mkq s GLN 134 CO 0.71 -0.14 -0.15 0.99 -0.55 0.00 0.00 175.29 176.15 3mkq s THR 135 N -0.79 1.61 -0.33 -0.34 2.01 -1.26 -0.13 115.64 116.41 3mkq s THR 135 Ca 0.00 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 3mkq s THR 135 Cb -0.02 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 3mkq s THR 135 CO -0.01 0.46 0.46 -0.36 -0.69 0.00 0.00 174.62 174.48 3mkq s PHE 136 N 1.26 3.20 -0.03 4.92 0.40 0.37 -4.94 117.98 123.17 3mkq s PHE 136 Ca 0.00 0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.58 3mkq s PHE 136 Cb -0.14 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 3mkq s PHE 136 CO -0.07 -0.45 -0.17 -1.21 0.70 0.00 0.00 175.22 174.02 3mkq s GLU 137 N 2.26 2.36 0.00 0.44 2.02 -1.26 -2.02 118.70 122.49 3mkq s GLU 137 Ca 0.17 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.37 3mkq s GLU 137 Cb -0.16 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.79 3mkq s GLU 137 CO 0.12 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.41 3mkq n GLY 138 N 2.19 1.25 3.76 -1.39 0.00 -1.26 -4.86 105.19 104.88 3mkq n GLY 138 Ca -0.17 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3mkq n GLY 138 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mkq s HIS 139 N 0.00 2.56 -0.22 1.61 3.76 -1.26 -4.93 115.29 116.82 3mkq s HIS 139 Ca 0.00 1.37 0.15 0.00 -0.15 0.00 0.00 55.06 56.43 3mkq s HIS 139 Cb 0.00 -3.74 0.60 0.00 1.11 0.00 0.00 32.58 30.55 3mkq s HIS 139 CO 0.00 -2.51 1.53 0.39 -0.85 0.00 0.00 174.74 173.30 3mkq n GLU 140 N -0.40 3.25 -2.16 1.40 1.02 -1.26 -4.87 120.64 117.62 3mkq n GLU 140 Ca 0.07 -2.96 -0.02 0.00 -0.02 0.00 0.00 57.16 54.22 3mkq n GLU 140 Cb 0.44 -1.96 0.01 0.00 -0.02 0.00 0.00 31.44 29.91 3mkq n GLU 140 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3mkq n HIS 141 N -0.34 -1.21 -1.69 -0.32 -0.00 -1.26 -4.84 115.22 105.55 3mkq n HIS 141 Ca 0.26 -0.59 -0.44 0.00 0.46 0.00 0.00 57.72 57.41 3mkq n HIS 141 Cb 1.02 0.29 -0.04 0.00 -0.12 0.00 0.00 29.99 31.14 3mkq n HIS 141 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3mkq n PHE 142 N -0.23 2.53 -2.95 1.57 0.99 -1.26 -4.21 117.46 113.90 3mkq n PHE 142 Ca -0.02 0.06 -0.42 0.00 -0.00 0.00 0.00 57.45 57.07 3mkq n PHE 142 Cb 0.22 -2.65 -0.05 0.00 -1.00 0.00 0.00 39.48 36.00 3mkq n PHE 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3mkq s VAL 143 N 1.74 4.72 -0.17 -4.37 1.01 -0.97 -0.98 120.40 121.38 3mkq s VAL 143 Ca 0.80 0.87 0.20 0.00 0.00 0.00 0.00 61.98 63.85 3mkq s VAL 143 Cb -0.57 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.50 3mkq s VAL 143 CO 0.37 -0.46 0.90 0.23 0.00 0.00 0.00 175.10 176.14 3mkq n MET 144 N 6.47 0.62 -3.62 2.72 0.00 0.11 -3.88 117.12 119.54 3mkq n MET 144 Ca 0.03 0.16 -0.14 0.00 0.00 0.00 0.00 57.70 57.75 3mkq n MET 144 Cb 0.48 -1.81 -0.07 0.00 0.00 0.00 0.00 33.22 31.83 3mkq n MET 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3mkq s VAL 146 N 0.22 0.72 -0.26 0.00 0.11 -1.26 0.35 120.40 120.28 3mkq s VAL 146 Ca -0.01 -0.66 -0.20 0.00 -2.93 0.00 0.00 61.98 58.18 3mkq s VAL 146 Cb -0.05 -0.66 0.07 0.00 -1.53 0.00 0.00 36.38 34.22 3mkq s VAL 146 CO 0.01 0.01 0.68 0.00 -3.33 0.00 0.00 175.10 172.47 3mkq s ALA 147 N -0.60 -1.74 0.47 1.54 0.00 -0.20 -4.58 121.76 116.64 3mkq s ALA 147 Ca -0.00 2.12 -0.21 0.00 0.00 0.00 0.00 51.96 53.86 3mkq s ALA 147 Cb -0.06 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 3mkq s ALA 147 CO 0.00 -0.34 1.04 -0.06 0.00 0.00 0.00 175.76 176.40 3mkq s PHE 148 N 0.93 3.06 -0.42 0.00 0.40 -1.26 -0.36 117.98 120.32 3mkq s PHE 148 Ca -0.04 1.59 -0.29 0.00 -0.60 0.00 0.00 56.93 57.59 3mkq s PHE 148 Cb -0.05 -3.08 0.02 0.00 0.51 0.00 0.00 43.02 40.43 3mkq s PHE 148 CO -0.08 -0.77 1.12 1.21 0.70 0.00 0.00 175.22 177.40 3mkq s ASN 149 N -1.89 6.74 0.65 1.36 3.04 -1.07 -4.82 114.94 118.95 3mkq s ASN 149 Ca 0.65 0.70 0.44 0.00 0.04 0.00 0.00 52.86 54.69 3mkq s ASN 149 Cb -0.17 -2.55 2.35 0.00 -1.54 0.00 0.00 41.25 39.34 3mkq s ASN 149 CO 0.21 -1.12 2.34 1.55 -3.04 0.00 0.00 177.10 177.04 3mkq h PRO 150 N 8.84 0.00 -0.01 0.43 0.13 -1.94 -0.57 132.00 138.88 3mkq h PRO 150 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3mkq h PRO 150 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3mkq h PRO 150 CO 1.09 0.00 -0.39 1.63 -0.23 0.00 0.00 178.00 180.10 3mkq n LYS 151 N -3.06 0.85 -2.71 0.86 5.02 -1.26 -4.61 118.16 113.25 3mkq n LYS 151 Ca -0.03 -0.60 -0.05 0.00 -2.02 0.00 0.00 58.31 55.61 3mkq n LYS 151 Cb 0.08 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3mkq n LYS 151 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3mkq n ASP 152 N -0.55 -2.19 -0.03 4.39 2.03 -0.51 -5.03 116.55 114.66 3mkq n ASP 152 Ca 0.10 -2.31 0.00 0.00 0.52 0.00 0.00 54.79 53.10 3mkq n ASP 152 Cb 0.39 1.25 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 3mkq n ASP 152 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3mkq n PRO 153 N 1.97 0.08 0.00 -0.67 -0.04 -0.34 -1.37 135.00 134.64 3mkq n PRO 153 Ca 0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 3mkq n PRO 153 Cb 0.65 -1.00 0.35 0.00 -0.04 0.00 0.00 33.50 33.45 3mkq n PRO 153 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mkq n SER 154 N -0.44 0.48 -4.39 3.54 3.41 -1.26 -4.81 113.62 110.16 3mkq n SER 154 Ca 0.00 -0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.17 3mkq n SER 154 Cb 0.00 0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3mkq n SER 154 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mkq s THR 155 N -2.90 1.95 0.20 6.66 -4.23 -0.47 -0.69 115.64 116.16 3mkq s THR 155 Ca 0.14 -2.27 -0.19 0.00 -1.18 0.00 0.00 61.69 58.20 3mkq s THR 155 Cb 0.18 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.92 3mkq s THR 155 CO 0.64 -0.53 0.57 0.72 -0.54 0.00 0.00 174.62 175.48 3mkq s PHE 156 N -2.84 -0.21 0.13 3.99 -0.12 -0.32 -2.58 117.98 116.03 3mkq s PHE 156 Ca 0.25 -0.12 0.10 0.00 -0.05 0.00 0.00 56.93 57.11 3mkq s PHE 156 Cb -0.02 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3mkq s PHE 156 CO 0.09 -0.95 -0.25 0.00 -0.05 0.00 0.00 175.22 174.06 3mkq s ALA 157 N -3.86 2.24 -0.09 1.99 0.00 0.51 -1.42 121.76 121.13 3mkq s ALA 157 Ca 0.08 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3mkq s ALA 157 Cb -0.02 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3mkq s ALA 157 CO -0.03 0.49 -0.16 -1.54 0.00 0.00 0.00 175.76 174.51 3mkq s SER 158 N -2.05 2.37 -0.22 0.00 1.04 0.18 -1.03 113.70 113.99 3mkq s SER 158 Ca 0.12 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 3mkq s SER 158 Cb -0.10 -1.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.89 3mkq s SER 158 CO 0.06 0.06 0.20 -0.83 0.98 0.00 0.00 173.24 173.71 3mkq s GLY 159 N 0.69 2.02 0.11 7.32 0.00 0.15 -1.60 107.32 116.02 3mkq s GLY 159 Ca -0.13 -0.77 0.08 0.00 0.00 0.00 0.00 44.72 43.89 3mkq s GLY 159 CO 0.03 0.42 -0.19 0.00 0.00 0.00 0.00 173.10 173.36 3mkq n LEU 161 N 0.93 0.00 -0.56 0.00 4.32 -0.15 -1.32 117.00 120.22 3mkq n LEU 161 Ca -0.18 0.17 0.02 0.00 -0.02 0.00 0.00 56.01 56.00 3mkq n LEU 161 Cb 0.54 -0.17 0.09 0.00 -1.62 0.00 0.00 43.42 42.26 3mkq n LEU 161 CO 0.24 -0.08 0.50 -0.90 -1.22 0.00 0.00 177.39 175.92 3mkq n ASP 162 N -1.17 1.51 -1.12 -1.43 3.85 -1.26 -4.23 116.55 112.70 3mkq n ASP 162 Ca 0.09 -2.10 -0.12 0.00 -0.71 0.00 0.00 54.79 51.96 3mkq n ASP 162 Cb 0.10 -0.31 -0.03 0.00 -1.35 0.00 0.00 41.12 39.53 3mkq n ASP 162 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3mkq n ARG 163 N 0.09 -0.87 -4.23 0.11 1.74 -0.98 -4.97 116.66 107.55 3mkq n ARG 163 Ca 0.06 0.72 -0.18 0.00 -0.77 0.00 0.00 57.85 57.68 3mkq n ARG 163 Cb 0.30 -4.79 -0.11 0.00 -1.02 0.00 0.00 32.46 26.84 3mkq n ARG 163 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3mkq s THR 164 N -2.51 1.33 -0.11 0.55 2.01 -1.23 -2.23 115.64 113.45 3mkq s THR 164 Ca 0.00 -1.65 0.01 0.00 0.31 0.00 0.00 61.69 60.37 3mkq s THR 164 Cb 0.00 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.06 3mkq s THR 164 CO 0.00 -0.36 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.73 3mkq s VAL 165 N -1.95 1.46 -0.07 3.82 1.01 -0.62 -1.62 120.40 122.43 3mkq s VAL 165 Ca 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3mkq s VAL 165 Cb -0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3mkq s VAL 165 CO 0.03 0.44 -0.12 -0.54 0.00 0.00 0.00 175.10 174.91 3mkq s LYS 166 N 1.12 2.72 -0.16 2.72 1.02 -0.62 -0.78 119.74 125.76 3mkq s LYS 166 Ca -0.04 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 3mkq s LYS 166 Cb -0.14 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3mkq s LYS 166 CO -0.04 0.58 -0.11 0.08 -0.92 0.00 0.00 175.35 174.94 3mkq s VAL 167 N -0.59 3.05 0.28 3.17 1.01 -1.09 -0.64 120.40 125.59 3mkq s VAL 167 Ca 0.09 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3mkq s VAL 167 Cb -0.11 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3mkq s VAL 167 CO 0.01 0.49 -0.01 0.26 0.00 0.00 0.00 175.10 175.86 3mkq s TRP 168 N 0.79 1.88 -0.09 5.22 0.52 -0.51 0.31 118.94 127.07 3mkq s TRP 168 Ca -0.04 -0.82 0.02 0.00 0.02 0.00 0.00 56.10 55.28 3mkq s TRP 168 Cb -0.15 -1.13 0.01 0.00 -1.15 0.00 0.00 33.47 31.05 3mkq s TRP 168 CO 0.01 0.13 -0.15 -1.54 0.02 0.00 0.00 176.95 175.43 3mkq s SER 169 N -3.43 2.23 -0.35 2.95 1.04 -1.26 -1.17 113.70 113.71 3mkq s SER 169 Ca 0.31 -0.38 -0.44 0.00 0.48 0.00 0.00 55.95 55.92 3mkq s SER 169 Cb 0.06 -1.01 -0.20 0.00 0.10 0.00 0.00 66.02 64.98 3mkq s SER 169 CO 0.12 0.04 1.42 0.18 0.98 0.00 0.00 173.24 175.97 3mkq n LEU 170 N 3.98 0.84 0.00 2.42 4.32 0.13 -1.63 117.00 127.06 3mkq n LEU 170 Ca -0.20 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 3mkq n LEU 170 Cb 0.52 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 3mkq n LEU 170 CO 0.25 -1.12 0.00 0.61 -1.22 0.00 0.00 177.39 175.91 3mkq n GLY 171 N 3.21 2.22 3.88 -0.72 0.00 -1.26 -5.04 105.19 107.48 3mkq n GLY 171 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 3mkq n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mkq s GLN 172 N -0.43 3.31 0.06 1.61 -1.52 -0.65 -5.00 119.66 117.05 3mkq s GLN 172 Ca 0.00 -0.45 0.23 0.00 -1.95 0.00 0.00 55.36 53.19 3mkq s GLN 172 Cb 0.00 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.78 3mkq s GLN 172 CO 0.00 0.63 0.95 -1.13 -0.25 0.00 0.00 175.29 175.48 3mkq n SER 173 N 0.61 0.57 -4.45 5.90 3.41 -1.26 -4.85 113.62 113.56 3mkq n SER 173 Ca -0.08 -0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.09 3mkq n SER 173 Cb 0.52 0.93 -0.12 0.00 -0.26 0.00 0.00 64.21 65.27 3mkq n SER 173 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mkq s THR 174 N -3.26 2.68 0.74 6.66 -4.23 -1.26 -4.44 115.64 112.54 3mkq s THR 174 Ca 0.02 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 3mkq s THR 174 Cb 0.14 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.86 3mkq s THR 174 CO 0.82 0.24 1.10 -2.16 -0.54 0.00 0.00 174.62 174.08 3mkq s PRO 175 N -1.70 2.39 0.31 3.99 0.04 -1.26 -4.77 135.00 134.00 3mkq s PRO 175 Ca 0.15 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.53 3mkq s PRO 175 Cb -0.10 -1.91 0.51 0.00 0.04 0.00 0.00 34.50 33.04 3mkq s PRO 175 CO 0.06 -1.55 1.74 -0.91 0.04 0.00 0.00 177.00 176.38 3mkq h ASN 176 N -0.76 0.22 -4.84 6.66 -0.26 -0.49 -3.47 115.58 112.64 3mkq h ASN 176 Ca -0.45 -0.09 0.20 0.00 -0.56 0.00 0.00 56.30 55.41 3mkq h ASN 176 Cb 1.24 -0.06 -0.14 0.00 -1.06 0.00 0.00 38.32 38.29 3mkq h ASN 176 CO 0.52 0.59 0.64 0.72 -1.06 0.00 0.00 177.43 178.84 3mkq s PHE 177 N -4.21 -0.19 -0.12 1.19 -0.12 -1.21 -5.05 117.98 108.27 3mkq s PHE 177 Ca -0.04 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 3mkq s PHE 177 Cb 0.14 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 43.10 3mkq s PHE 177 CO 0.76 -0.45 -0.14 0.99 -0.05 0.00 0.00 175.22 176.33 3mkq s THR 178 N -2.83 1.48 -0.25 -4.49 2.01 -1.26 -2.65 115.64 107.65 3mkq s THR 178 Ca 0.09 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 3mkq s THR 178 Cb -0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3mkq s THR 178 CO -0.05 0.44 0.11 -0.22 -0.69 0.00 0.00 174.62 174.21 3mkq s LEU 179 N 1.16 3.71 -0.08 4.42 2.96 0.04 -4.97 118.68 125.92 3mkq s LEU 179 Ca -0.03 -0.09 -0.21 0.00 -0.22 0.00 0.00 54.13 53.58 3mkq s LEU 179 Cb -0.14 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3mkq s LEU 179 CO -0.04 -0.00 0.59 0.42 -1.32 0.00 0.00 176.35 176.00 3mkq s THR 180 N 1.45 5.09 -0.18 3.68 -4.23 -1.26 -1.60 115.64 118.59 3mkq s THR 180 Ca 0.06 1.21 0.19 0.00 -1.18 0.00 0.00 61.69 61.98 3mkq s THR 180 Cb -0.15 -3.93 -0.06 0.00 1.34 0.00 0.00 72.50 69.70 3mkq s THR 180 CO 0.06 0.30 0.96 0.71 -0.54 0.00 0.00 174.62 176.11 3mkq h THR 181 N 4.67 0.28 0.00 3.99 1.35 -1.83 -3.48 112.91 117.89 3mkq h THR 181 Ca -0.42 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 3mkq h THR 181 Cb 1.19 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3mkq h THR 181 CO 0.75 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 3mkq n GLY 182 N 1.29 0.51 3.38 5.82 0.00 -1.26 -4.95 105.19 109.97 3mkq n GLY 182 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 3mkq n GLY 182 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mkq s GLN 183 N -0.25 3.57 0.41 1.61 -0.21 -1.26 -4.94 119.66 118.59 3mkq s GLN 183 Ca 0.00 -2.14 0.35 0.00 0.02 0.00 0.00 55.36 53.59 3mkq s GLN 183 Cb 0.00 -4.60 1.32 0.00 1.00 0.00 0.00 33.01 30.73 3mkq s GLN 183 CO 0.00 -1.48 1.25 0.39 -2.12 0.00 0.00 175.29 173.33 3mkq n GLU 184 N 5.05 -0.01 0.00 2.91 -0.58 -1.26 -0.65 120.64 126.10 3mkq n GLU 184 Ca 0.16 0.92 0.14 0.00 -0.42 0.00 0.00 57.16 57.96 3mkq n GLU 184 Cb 0.47 -2.00 0.47 0.00 -0.57 0.00 0.00 31.44 29.82 3mkq n GLU 184 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mkq n ARG 185 N -3.84 1.65 0.00 3.49 1.74 -1.26 -4.93 116.66 113.51 3mkq n ARG 185 Ca 0.35 -1.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 3mkq n ARG 185 Cb 1.48 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3mkq n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mkq n GLY 186 N 1.20 1.33 3.53 -0.13 0.00 0.18 -4.67 105.19 106.63 3mkq n GLY 186 Ca 0.18 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 3mkq n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mkq s VAL 187 N -2.00 4.90 -0.04 1.61 1.01 -0.43 -4.16 120.40 121.29 3mkq s VAL 187 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 61.98 62.11 3mkq s VAL 187 Cb 0.00 -3.34 -0.15 0.00 0.00 0.00 0.00 36.38 32.89 3mkq s VAL 187 CO 0.00 0.27 0.99 0.78 0.00 0.00 0.00 175.10 177.13 3mkq h ASN 188 N 8.32 0.00 -5.10 3.32 2.35 -0.53 -3.32 115.58 120.62 3mkq h ASN 188 Ca -0.36 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.31 3mkq h ASN 188 Cb 1.18 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.41 3mkq h ASN 188 CO 0.57 0.81 -0.24 -0.47 -1.65 0.00 0.00 177.43 176.44 3mkq s TYR 189 N -2.77 -0.03 -0.14 1.19 5.04 -1.16 -4.25 117.35 115.22 3mkq s TYR 189 Ca -0.01 -0.27 -0.12 0.00 -2.44 0.00 0.00 57.07 54.23 3mkq s TYR 189 Cb 0.09 0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.52 3mkq s TYR 189 CO 0.81 -0.58 0.36 0.54 -1.34 0.00 0.00 175.55 175.34 3mkq s VAL 190 N -3.43 -0.00 -0.10 3.14 0.11 -1.26 -2.47 120.40 116.39 3mkq s VAL 190 Ca 0.01 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 3mkq s VAL 190 Cb 0.02 -0.51 0.03 0.00 -1.53 0.00 0.00 36.38 34.39 3mkq s VAL 190 CO -0.09 0.01 0.30 -0.62 -3.33 0.00 0.00 175.10 171.37 3mkq s ASP 191 N 0.36 -0.29 0.09 3.54 -1.08 -0.78 -4.77 116.67 113.74 3mkq s ASP 191 Ca -0.01 0.53 -0.15 0.00 -0.52 0.00 0.00 52.55 52.39 3mkq s ASP 191 Cb -0.03 0.58 -0.06 0.00 -1.46 0.00 0.00 42.92 41.94 3mkq s ASP 191 CO -0.01 -0.15 0.51 -0.31 0.52 0.00 0.00 175.17 175.72 3mkq s TYR 192 N -0.05 3.69 -0.33 -5.34 1.51 -1.26 -1.65 117.35 113.91 3mkq s TYR 192 Ca -0.02 1.08 -0.29 0.00 -1.01 0.00 0.00 57.07 56.83 3mkq s TYR 192 Cb -0.03 -2.36 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 3mkq s TYR 192 CO 0.01 0.53 1.21 -0.47 -1.11 0.00 0.00 175.55 175.72 3mkq s TYR 193 N -1.28 2.85 0.62 2.71 6.14 -0.66 -4.67 117.35 123.06 3mkq s TYR 193 Ca 0.32 0.96 0.38 0.00 0.64 0.00 0.00 57.07 59.36 3mkq s TYR 193 Cb -0.16 -3.90 2.13 0.00 0.42 0.00 0.00 41.96 40.44 3mkq s TYR 193 CO 0.18 -1.35 2.31 -1.00 0.64 0.00 0.00 175.55 176.33 3mkq h PRO 194 N 8.91 0.00 -6.62 4.97 0.13 -1.90 -3.43 132.00 134.06 3mkq h PRO 194 Ca -0.24 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.38 3mkq h PRO 194 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3mkq h PRO 194 CO 1.05 0.00 -0.00 -0.51 -0.23 0.00 0.00 178.00 178.31 3mkq s LEU 195 N -6.83 4.05 0.41 1.56 1.43 -1.26 -4.81 118.68 113.23 3mkq s LEU 195 Ca -0.05 1.05 0.29 0.00 -1.03 0.00 0.00 54.13 54.39 3mkq s LEU 195 Cb 0.14 -3.86 1.14 0.00 0.03 0.00 0.00 46.19 43.63 3mkq s LEU 195 CO 0.48 -0.20 1.85 1.55 0.23 0.00 0.00 176.35 180.26 3mkq h PRO 196 N 2.09 0.00 0.00 1.29 0.13 -1.87 -3.32 132.00 130.32 3mkq h PRO 196 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3mkq h PRO 196 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3mkq h PRO 196 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 3mkq n ASP 197 N -2.69 0.00 -3.66 1.44 5.68 -1.26 -4.76 116.55 111.29 3mkq n ASP 197 Ca 0.02 -0.24 -0.11 0.00 -0.50 0.00 0.00 54.79 53.96 3mkq n ASP 197 Cb 0.29 -0.21 -0.08 0.00 -1.14 0.00 0.00 41.12 39.98 3mkq n ASP 197 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3mkq s LYS 198 N -2.42 0.64 -1.19 0.11 1.02 -1.25 -5.08 119.74 111.57 3mkq s LYS 198 Ca 0.26 0.96 -0.08 0.00 0.02 0.00 0.00 55.97 57.12 3mkq s LYS 198 Cb 0.16 0.20 0.22 0.00 -0.52 0.00 0.00 37.83 37.89 3mkq s LYS 198 CO 0.34 -0.12 1.63 -0.35 -0.92 0.00 0.00 175.35 175.93 3mkq n PRO 199 N 3.57 3.85 -4.07 -1.68 -0.04 -1.26 -4.82 135.00 130.55 3mkq n PRO 199 Ca -0.18 -3.97 -0.29 0.00 -0.04 0.00 0.00 63.50 59.01 3mkq n PRO 199 Cb 0.57 -2.78 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 3mkq n PRO 199 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mkq s TYR 200 N -0.59 3.14 0.16 0.54 2.02 -1.26 -2.32 117.35 119.03 3mkq s TYR 200 Ca 0.37 0.03 0.05 0.00 -0.37 0.00 0.00 57.07 57.15 3mkq s TYR 200 Cb 0.05 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3mkq s TYR 200 CO 0.03 0.51 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.78 3mkq s MET 201 N -2.55 1.11 -0.05 -0.62 -1.94 0.68 -1.66 119.30 114.27 3mkq s MET 201 Ca 0.29 -1.48 -0.04 0.00 -1.71 0.00 0.00 55.69 52.75 3mkq s MET 201 Cb -0.12 -0.70 0.02 0.00 2.01 0.00 0.00 34.83 36.05 3mkq s MET 201 CO 0.22 0.09 0.13 -1.50 -0.01 0.00 0.00 175.02 173.94 3mkq s ILE 202 N -3.28 -0.02 0.04 2.53 2.07 -0.66 0.12 121.20 122.01 3mkq s ILE 202 Ca 0.18 0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.56 3mkq s ILE 202 Cb 0.02 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.39 3mkq s ILE 202 CO 0.02 0.03 -0.21 0.42 -1.91 0.00 0.00 174.94 173.28 3mkq s THR 203 N 0.44 1.69 0.02 4.00 -4.23 -0.51 -1.86 115.64 115.19 3mkq s THR 203 Ca -0.03 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.36 3mkq s THR 203 Cb -0.05 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 3mkq s THR 203 CO -0.02 0.21 -0.26 0.00 -0.54 0.00 0.00 174.62 174.01 3mkq s ALA 204 N -0.80 2.23 0.20 3.99 0.00 -1.03 -1.80 121.76 124.54 3mkq s ALA 204 Ca 0.08 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3mkq s ALA 204 Cb -0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3mkq s ALA 204 CO 0.02 0.53 0.07 0.45 0.00 0.00 0.00 175.76 176.83 3mkq s SER 205 N -1.01 0.77 0.00 0.00 0.15 -1.06 0.22 113.70 112.76 3mkq s SER 205 Ca 0.11 -1.29 0.25 0.00 0.70 0.00 0.00 55.95 55.72 3mkq s SER 205 Cb -0.10 0.23 1.11 0.00 -1.71 0.00 0.00 66.02 65.55 3mkq s SER 205 CO 0.01 -0.71 1.82 0.47 1.20 0.00 0.00 173.24 176.02 3mkq n ASP 206 N -0.28 0.00 -0.01 5.45 9.92 -1.26 -1.71 116.55 128.65 3mkq n ASP 206 Ca -0.02 0.42 0.03 0.00 -0.53 0.00 0.00 54.79 54.69 3mkq n ASP 206 Cb 0.65 -0.47 0.15 0.00 -0.64 0.00 0.00 41.12 40.80 3mkq n ASP 206 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3mkq n ASP 207 N -1.47 0.04 0.00 -2.24 3.85 -1.26 -4.40 116.55 111.06 3mkq n ASP 207 Ca 0.07 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 3mkq n ASP 207 Cb 0.28 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 3mkq n ASP 207 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3mkq n LEU 208 N -0.56 0.00 -4.93 -2.12 4.77 -1.16 -5.04 117.00 107.97 3mkq n LEU 208 Ca 0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 3mkq n LEU 208 Cb 0.02 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3mkq n LEU 208 CO 0.03 0.00 -0.02 0.42 -1.33 0.00 0.00 177.39 176.48 3mkq s THR 209 N -3.30 4.15 -0.08 -5.08 -4.23 -1.26 -4.38 115.64 101.45 3mkq s THR 209 Ca 0.00 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 3mkq s THR 209 Cb 0.00 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.45 3mkq s THR 209 CO 0.00 -0.21 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.23 3mkq s ILE 210 N -2.18 0.48 -0.10 2.99 1.01 -1.04 -2.57 121.20 119.78 3mkq s ILE 210 Ca 0.41 0.04 0.03 0.00 0.00 0.00 0.00 60.65 61.13 3mkq s ILE 210 Cb -0.08 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 3mkq s ILE 210 CO 0.29 0.26 -0.21 -0.54 0.00 0.00 0.00 174.94 174.73 3mkq s LYS 211 N 1.93 3.07 -0.02 2.79 1.02 -0.75 0.57 119.74 128.35 3mkq s LYS 211 Ca 0.05 -0.83 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 3mkq s LYS 211 Cb -0.12 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3mkq s LYS 211 CO -0.06 0.22 0.46 0.42 -0.92 0.00 0.00 175.35 175.47 3mkq s ILE 212 N 0.27 5.02 0.15 2.17 -1.09 -0.11 -1.43 121.20 126.18 3mkq s ILE 212 Ca -0.15 0.95 0.07 0.00 -2.23 0.00 0.00 60.65 59.28 3mkq s ILE 212 Cb -0.17 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 3mkq s ILE 212 CO 0.08 0.50 -0.15 0.26 -1.23 0.00 0.00 174.94 174.39 3mkq s TRP 213 N -0.58 1.57 -0.35 3.97 0.52 0.33 -1.05 118.94 123.35 3mkq s TRP 213 Ca 0.25 -0.55 -0.06 0.00 0.02 0.00 0.00 56.10 55.77 3mkq s TRP 213 Cb -0.17 -0.79 0.05 0.00 -1.15 0.00 0.00 33.47 31.41 3mkq s TRP 213 CO 0.14 0.23 0.13 0.34 0.02 0.00 0.00 176.95 177.80 3mkq s ASP 214 N -2.70 5.32 0.00 2.95 2.15 -0.78 -0.23 116.67 123.38 3mkq s ASP 214 Ca 0.14 -1.28 0.15 0.00 0.43 0.00 0.00 52.55 51.98 3mkq s ASP 214 Cb -0.04 -1.87 0.86 0.00 -0.30 0.00 0.00 42.92 41.57 3mkq s ASP 214 CO 0.05 -0.37 1.35 0.00 -0.17 0.00 0.00 175.17 176.02 3mkq n TYR 215 N 4.79 0.00 -0.05 -5.34 4.11 -0.98 -0.46 117.16 119.23 3mkq n TYR 215 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.58 3mkq n TYR 215 Cb 0.44 -0.09 -0.13 0.00 -0.00 0.00 0.00 39.34 39.56 3mkq n TYR 215 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 3mkq h GLN 216 N 0.00 0.11 -0.01 -3.48 4.20 -1.94 -3.37 115.11 110.63 3mkq h GLN 216 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3mkq h GLN 216 Cb 0.04 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3mkq h GLN 216 CO 0.00 1.09 -0.23 0.25 -0.67 0.00 0.00 178.83 179.28 3mkq n THR 217 N -4.16 0.00 -2.05 -0.54 -2.24 -1.13 -4.93 114.28 99.23 3mkq n THR 217 Ca -0.28 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 3mkq n THR 217 Cb 0.78 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 3mkq n THR 217 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mkq n LYS 218 N -0.05 -1.75 -4.02 -0.78 4.76 0.39 -4.95 118.16 111.76 3mkq n LYS 218 Ca 0.13 0.84 -0.28 0.00 -2.87 0.00 0.00 58.31 56.13 3mkq n LYS 218 Cb 0.41 -5.34 -0.05 0.00 -1.84 0.00 0.00 35.03 28.21 3mkq n LYS 218 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3mkq s SER 219 N -2.16 5.82 -0.34 4.39 0.01 -1.20 -4.91 113.70 115.31 3mkq s SER 219 Ca 0.00 0.02 -0.25 0.00 1.31 0.00 0.00 55.95 57.03 3mkq s SER 219 Cb 0.00 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.61 3mkq s SER 219 CO 0.00 0.10 0.86 0.00 0.41 0.00 0.00 173.24 174.61 3mkq h VAL 221 N 5.72 1.40 -2.40 0.00 2.07 -1.43 -3.48 116.25 118.12 3mkq h VAL 221 Ca -0.24 -2.52 0.09 0.00 0.82 0.00 0.00 66.70 64.85 3mkq h VAL 221 Cb 1.09 2.51 -0.14 0.00 -1.52 0.00 0.00 31.29 33.22 3mkq h VAL 221 CO 0.94 0.75 0.45 0.00 0.02 0.00 0.00 177.57 179.73 3mkq s ALA 222 N -3.16 -1.78 -0.10 1.67 0.00 -1.22 -4.99 121.76 112.17 3mkq s ALA 222 Ca -0.06 0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.80 3mkq s ALA 222 Cb 0.08 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3mkq s ALA 222 CO 0.88 -0.72 -0.10 0.99 0.00 0.00 0.00 175.76 176.81 3mkq s THR 223 N -3.23 1.15 -0.35 0.00 2.01 -1.26 -0.93 115.64 113.03 3mkq s THR 223 Ca 0.05 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 3mkq s THR 223 Cb -0.01 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 3mkq s THR 223 CO -0.09 0.38 0.28 -0.76 -0.69 0.00 0.00 174.62 173.73 3mkq s LEU 224 N 1.25 4.56 0.15 4.42 1.43 0.19 -4.96 118.68 125.74 3mkq s LEU 224 Ca -0.03 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3mkq s LEU 224 Cb -0.14 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3mkq s LEU 224 CO -0.04 -0.29 -0.09 -1.61 0.23 0.00 0.00 176.35 174.56 3mkq s GLU 225 N 1.79 2.12 0.00 1.70 2.02 -1.26 -2.50 118.70 122.58 3mkq s GLU 225 Ca 0.07 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.91 3mkq s GLU 225 Cb -0.17 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.82 3mkq s GLU 225 CO 0.11 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3mkq n GLY 226 N 0.27 1.65 3.77 -1.39 0.00 -1.26 -4.97 105.19 103.26 3mkq n GLY 226 Ca -0.12 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3mkq n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mkq s HIS 227 N 0.00 3.00 -0.41 1.61 3.76 -1.26 -4.94 115.29 117.05 3mkq s HIS 227 Ca 0.00 1.49 0.23 0.00 -0.15 0.00 0.00 55.06 56.62 3mkq s HIS 227 Cb 0.00 -3.54 -0.00 0.00 1.11 0.00 0.00 32.58 30.15 3mkq s HIS 227 CO 0.00 -1.65 0.97 -1.33 -0.85 0.00 0.00 174.74 171.88 3mkq n MET 228 N 0.28 0.44 -4.39 1.40 0.00 -1.26 -4.90 117.12 108.69 3mkq n MET 228 Ca 0.03 0.02 -0.22 0.00 0.00 0.00 0.00 57.70 57.53 3mkq n MET 228 Cb 0.44 -1.66 -0.08 0.00 0.00 0.00 0.00 33.22 31.92 3mkq n MET 228 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3mkq s SER 229 N -4.50 2.12 0.10 7.83 0.01 -1.26 -4.96 113.70 113.04 3mkq s SER 229 Ca 0.01 -1.69 -0.35 0.00 1.31 0.00 0.00 55.95 55.22 3mkq s SER 229 Cb 0.13 0.52 -0.18 0.00 0.21 0.00 0.00 66.02 66.69 3mkq s SER 229 CO 0.81 -0.98 1.02 0.59 0.41 0.00 0.00 173.24 175.08 3mkq n ASN 230 N -1.34 0.30 -4.61 2.44 3.02 -1.26 -4.53 115.26 109.28 3mkq n ASN 230 Ca 0.00 1.14 -0.41 0.00 -0.03 0.00 0.00 54.58 55.29 3mkq n ASN 230 Cb 0.64 -1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 3mkq n ASN 230 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mkq s VAL 231 N -0.20 4.96 0.12 2.41 1.01 -0.69 -1.26 120.40 126.75 3mkq s VAL 231 Ca 0.80 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3mkq s VAL 231 Cb -1.05 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 31.15 3mkq s VAL 231 CO 0.54 -0.05 1.27 0.28 0.00 0.00 0.00 175.10 177.14 3mkq h SER 232 N 8.02 0.27 -5.24 3.32 0.02 -1.01 -3.35 113.55 115.59 3mkq h SER 232 Ca -0.27 -0.26 0.16 0.00 -0.84 0.00 0.00 61.79 60.59 3mkq h SER 232 Cb 1.12 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 3mkq h SER 232 CO 0.79 1.14 0.46 0.72 -1.14 0.00 0.00 176.83 178.80 3mkq s PHE 233 N -2.90 -0.16 -0.28 3.45 -0.12 -1.18 -4.49 117.98 112.30 3mkq s PHE 233 Ca -0.02 -0.14 -0.17 0.00 -0.05 0.00 0.00 56.93 56.54 3mkq s PHE 233 Cb 0.09 0.64 0.09 0.00 -0.63 0.00 0.00 43.02 43.21 3mkq s PHE 233 CO 0.85 -0.84 0.76 0.00 -0.05 0.00 0.00 175.22 175.94 3mkq s ALA 234 N -3.33 -1.94 0.06 1.99 0.00 -1.25 -2.43 121.76 114.87 3mkq s ALA 234 Ca 0.11 2.32 -0.03 0.00 0.00 0.00 0.00 51.96 54.37 3mkq s ALA 234 Cb -0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 3mkq s ALA 234 CO 0.01 -0.36 0.02 0.14 0.00 0.00 0.00 175.76 175.57 3mkq s VAL 235 N 1.39 0.20 -0.03 0.00 -7.23 0.86 -4.53 120.40 111.06 3mkq s VAL 235 Ca -0.08 -1.69 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 3mkq s VAL 235 Cb -0.05 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 3mkq s VAL 235 CO -0.16 -0.90 0.44 -0.36 -0.31 0.00 0.00 175.10 173.80 3mkq s PHE 236 N -3.91 3.67 0.41 2.82 0.40 -1.26 -0.19 117.98 119.92 3mkq s PHE 236 Ca 0.07 0.98 -0.24 0.00 -0.60 0.00 0.00 56.93 57.14 3mkq s PHE 236 Cb 0.07 -2.38 -0.09 0.00 0.51 0.00 0.00 43.02 41.14 3mkq s PHE 236 CO -0.10 0.50 1.07 -1.58 0.70 0.00 0.00 175.22 175.81 3mkq s HIS 237 N -0.57 3.19 0.22 0.36 5.65 -0.26 -4.89 115.29 118.98 3mkq s HIS 237 Ca 0.24 1.62 0.33 0.00 0.25 0.00 0.00 55.06 57.50 3mkq s HIS 237 Cb -0.16 -3.17 1.45 0.00 -1.18 0.00 0.00 32.58 29.51 3mkq s HIS 237 CO 0.13 -0.79 2.02 -1.00 -0.65 0.00 0.00 174.74 174.45 3mkq h PRO 238 N 2.39 0.00 0.00 2.88 0.13 -1.90 -3.40 132.00 132.10 3mkq h PRO 238 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mkq h PRO 238 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3mkq h PRO 238 CO 0.62 0.05 0.00 2.41 -0.23 0.00 0.00 178.00 180.85 3mkq n THR 239 N -3.21 1.06 -1.94 1.56 -1.04 -1.26 -4.92 114.28 104.53 3mkq n THR 239 Ca -0.00 0.35 -0.39 0.00 -2.04 0.00 0.00 64.05 61.97 3mkq n THR 239 Cb 0.29 -1.45 0.02 0.00 -1.82 0.00 0.00 70.33 67.36 3mkq n THR 239 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3mkq s LEU 240 N -6.90 4.02 -0.33 -4.42 1.02 -1.26 -4.48 118.68 106.33 3mkq s LEU 240 Ca 0.00 2.68 -0.05 0.00 0.02 0.00 0.00 54.13 56.78 3mkq s LEU 240 Cb 0.00 -4.12 -0.16 0.00 0.02 0.00 0.00 46.19 41.93 3mkq s LEU 240 CO 0.00 -1.20 2.70 -2.65 0.02 0.00 0.00 176.35 175.22 3mkq n PRO 241 N -0.49 1.81 -4.15 1.29 -0.02 -1.26 -4.36 135.00 127.81 3mkq n PRO 241 Ca 0.07 -1.01 -0.10 0.00 -2.02 0.00 0.00 63.50 60.44 3mkq n PRO 241 Cb 0.45 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 3mkq n PRO 241 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3mkq s ILE 242 N 1.91 0.46 -0.05 4.25 -4.36 -1.26 -0.53 121.20 121.62 3mkq s ILE 242 Ca 0.50 -1.90 0.04 0.00 -0.26 0.00 0.00 60.65 59.03 3mkq s ILE 242 Cb 0.21 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.13 3mkq s ILE 242 CO -0.01 -0.78 -0.17 -0.63 0.24 0.00 0.00 174.94 173.59 3mkq s ILE 243 N -3.78 2.83 -0.09 8.37 1.01 -0.12 -1.10 121.20 128.31 3mkq s ILE 243 Ca 0.14 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3mkq s ILE 243 Cb 0.07 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3mkq s ILE 243 CO -0.04 0.58 -0.18 -0.63 0.00 0.00 0.00 174.94 174.68 3mkq s ILE 244 N -0.59 2.67 0.12 2.92 -1.09 0.74 -0.52 121.20 125.44 3mkq s ILE 244 Ca 0.08 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.71 3mkq s ILE 244 Cb -0.11 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 3mkq s ILE 244 CO 0.01 0.55 -0.09 -0.94 -1.23 0.00 0.00 174.94 173.24 3mkq s SER 245 N 0.01 1.47 -0.04 3.58 1.04 -0.61 -0.10 113.70 119.06 3mkq s SER 245 Ca -0.06 -0.94 -0.07 0.00 0.48 0.00 0.00 55.95 55.36 3mkq s SER 245 Cb -0.15 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3mkq s SER 245 CO 0.05 -0.35 0.16 -0.83 0.98 0.00 0.00 173.24 173.25 3mkq s GLY 246 N -2.89 -0.07 0.12 7.32 0.00 -1.02 -0.90 107.32 109.88 3mkq s GLY 246 Ca 0.11 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 3mkq s GLY 246 CO -0.01 0.19 0.08 -0.45 0.00 0.00 0.00 173.10 172.91 3mkq s SER 247 N -0.40 0.30 0.00 1.64 0.15 -0.53 -0.42 113.70 114.43 3mkq s SER 247 Ca -0.05 -1.10 0.11 0.00 0.70 0.00 0.00 55.95 55.61 3mkq s SER 247 Cb -0.03 0.30 0.62 0.00 -1.71 0.00 0.00 66.02 65.20 3mkq s SER 247 CO 0.01 -0.73 1.19 -0.62 1.20 0.00 0.00 173.24 174.29 3mkq n GLU 248 N -0.07 0.25 0.00 5.44 1.02 -0.39 -1.05 120.64 125.85 3mkq n GLU 248 Ca -0.08 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 3mkq n GLU 248 Cb 0.63 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.73 3mkq n GLU 248 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mkq n ASP 249 N -1.15 0.00 -0.59 1.62 5.68 -1.26 -4.38 116.55 116.47 3mkq n ASP 249 Ca 0.07 -1.80 -0.07 0.00 -0.50 0.00 0.00 54.79 52.48 3mkq n ASP 249 Cb 0.07 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 3mkq n ASP 249 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mkq n GLY 250 N 0.59 0.87 3.42 6.12 0.00 -0.21 -4.94 105.19 111.04 3mkq n GLY 250 Ca 0.05 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3mkq n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mkq s THR 251 N -2.28 2.71 -0.16 2.61 2.01 -1.18 -4.51 115.64 114.83 3mkq s THR 251 Ca 0.00 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 3mkq s THR 251 Cb 0.00 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 3mkq s THR 251 CO 0.00 0.55 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.66 3mkq s LEU 252 N -0.81 3.07 0.04 4.42 1.43 -0.56 -1.45 118.68 124.81 3mkq s LEU 252 Ca 0.12 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 3mkq s LEU 252 Cb -0.10 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3mkq s LEU 252 CO 0.01 0.14 -0.23 -0.54 0.23 0.00 0.00 176.35 175.95 3mkq s LYS 253 N 0.55 1.59 -0.14 1.70 1.02 -0.08 -1.74 119.74 122.64 3mkq s LYS 253 Ca -0.04 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 54.98 3mkq s LYS 253 Cb -0.15 -1.71 -0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3mkq s LYS 253 CO 0.03 0.44 -0.17 0.42 -0.92 0.00 0.00 175.35 175.15 3mkq s ILE 254 N -0.76 2.57 0.19 2.17 1.01 -0.32 -1.57 121.20 124.49 3mkq s ILE 254 Ca 0.09 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 60.02 3mkq s ILE 254 Cb -0.09 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3mkq s ILE 254 CO 0.01 0.53 -0.12 0.26 0.00 0.00 0.00 174.94 175.62 3mkq s TRP 255 N 0.67 2.56 -0.22 3.97 0.52 0.32 0.51 118.94 127.28 3mkq s TRP 255 Ca -0.08 -0.25 -0.29 0.00 0.02 0.00 0.00 56.10 55.50 3mkq s TRP 255 Cb -0.16 -1.24 -0.00 0.00 -1.15 0.00 0.00 33.47 30.92 3mkq s TRP 255 CO 0.02 0.52 1.18 1.21 0.02 0.00 0.00 176.95 179.90 3mkq s ASN 256 N -2.88 6.95 0.44 2.95 2.47 -0.69 -0.95 114.94 123.24 3mkq s ASN 256 Ca 0.25 1.45 0.30 0.00 0.42 0.00 0.00 52.86 55.27 3mkq s ASN 256 Cb -0.08 -2.54 1.58 0.00 -1.45 0.00 0.00 41.25 38.75 3mkq s ASN 256 CO 0.14 -0.79 1.90 0.28 -3.72 0.00 0.00 177.10 174.91 3mkq h SER 257 N 8.12 0.00 0.00 -4.21 0.02 -1.12 0.13 113.55 116.48 3mkq h SER 257 Ca -0.23 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.40 3mkq h SER 257 Cb 1.08 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 3mkq h SER 257 CO 0.99 0.00 -2.11 -1.20 -1.14 0.00 0.00 176.83 173.37 3mkq n SER 258 N -2.55 1.91 0.02 3.07 7.64 -1.26 -4.62 113.62 117.84 3mkq n SER 258 Ca -0.02 0.09 0.12 0.00 1.01 0.00 0.00 58.87 60.07 3mkq n SER 258 Cb 0.07 -0.47 0.17 0.00 -1.01 0.00 0.00 64.21 62.96 3mkq n SER 258 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mkq n THR 259 N -3.53 0.12 -2.13 0.44 -2.24 -1.22 -4.95 114.28 100.77 3mkq n THR 259 Ca -0.37 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 3mkq n THR 259 Cb 0.82 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3mkq n THR 259 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3mkq n TYR 260 N -1.74 -0.92 -3.75 4.78 4.02 0.44 -4.97 117.16 115.02 3mkq n TYR 260 Ca 0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.61 3mkq n TYR 260 Cb 0.38 -3.18 -0.05 0.00 -0.02 0.00 0.00 39.34 36.47 3mkq n TYR 260 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3mkq s LYS 261 N -4.52 3.57 0.22 -0.72 -0.14 -1.26 -4.82 119.74 112.08 3mkq s LYS 261 Ca 0.00 -0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.14 3mkq s LYS 261 Cb 0.00 -2.94 -0.09 0.00 -1.68 0.00 0.00 37.83 33.11 3mkq s LYS 261 CO 0.00 0.54 1.31 0.54 -0.76 0.00 0.00 175.35 176.98 3mkq s VAL 262 N -1.55 3.13 -0.19 3.17 0.11 -1.26 -1.70 120.40 122.10 3mkq s VAL 262 Ca 0.37 0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 60.21 3mkq s VAL 262 Cb -0.13 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.04 3mkq s VAL 262 CO 0.24 0.16 -0.32 -0.62 -3.33 0.00 0.00 175.10 171.22 3mkq n GLU 263 N 2.31 0.53 -4.13 1.54 -0.58 0.18 -4.89 120.64 115.61 3mkq n GLU 263 Ca 0.05 0.26 -0.14 0.00 -0.42 0.00 0.00 57.16 56.91 3mkq n GLU 263 Cb 0.43 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.71 3mkq n GLU 263 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3mkq s LYS 264 N -2.76 0.72 -0.29 3.49 2.20 -1.05 -4.98 119.74 117.07 3mkq s LYS 264 Ca -0.29 -1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 54.29 3mkq s LYS 264 Cb 0.06 -0.43 0.09 0.00 -1.51 0.00 0.00 37.83 36.04 3mkq s LYS 264 CO 0.42 0.07 0.10 0.99 -0.36 0.00 0.00 175.35 176.57 3mkq s THR 265 N -2.05 0.47 0.07 3.43 2.01 -1.26 -1.18 115.64 117.14 3mkq s THR 265 Ca -0.01 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.00 3mkq s THR 265 Cb -0.05 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3mkq s THR 265 CO -0.00 -0.64 -0.05 -1.48 -0.69 0.00 0.00 174.62 171.76 3mkq s LEU 266 N 1.83 3.25 -0.47 4.42 2.34 -0.71 -4.97 118.68 124.36 3mkq s LEU 266 Ca 0.08 -0.23 0.03 0.00 0.06 0.00 0.00 54.13 54.07 3mkq s LEU 266 Cb -0.17 -1.97 0.13 0.00 -0.56 0.00 0.00 46.19 43.63 3mkq s LEU 266 CO -0.27 0.21 0.24 0.21 -1.06 0.00 0.00 176.35 175.68 3mkq s ASN 267 N -2.01 3.90 0.00 1.48 3.04 -1.26 -1.50 114.94 118.59 3mkq s ASN 267 Ca 0.22 -2.76 0.00 0.00 0.04 0.00 0.00 52.86 50.36 3mkq s ASN 267 Cb -0.11 -1.26 0.00 0.00 -1.54 0.00 0.00 41.25 38.34 3mkq s ASN 267 CO 0.14 -0.26 0.39 1.33 -3.04 0.00 0.00 177.10 175.66 3mkq n VAL 268 N 3.40 0.00 -3.22 -5.21 0.24 -1.26 -4.78 118.33 107.50 3mkq n VAL 268 Ca 0.07 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 3mkq n VAL 268 Cb 0.34 -0.96 0.07 0.00 -1.47 0.00 0.00 33.84 31.82 3mkq n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mkq n GLY 269 N -0.88 -0.19 0.02 7.63 0.00 -1.26 -4.94 105.19 105.57 3mkq n GLY 269 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mkq n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mkq n LEU 270 N -3.69 1.23 0.00 0.99 4.77 -1.26 -5.03 117.00 114.01 3mkq n LEU 270 Ca -0.12 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 3mkq n LEU 270 Cb 0.59 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3mkq n LEU 270 CO 0.49 0.32 0.00 -0.62 -1.33 0.00 0.00 177.39 176.25 3mkq n GLU 271 N -0.35 0.00 -1.58 3.23 -0.58 -1.26 -2.01 120.64 118.10 3mkq n GLU 271 Ca 0.01 0.00 -0.50 0.00 -0.42 0.00 0.00 57.16 56.25 3mkq n GLU 271 Cb 0.37 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.20 3mkq n GLU 271 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mkq n ARG 272 N 0.00 1.13 -3.50 3.49 1.74 -1.26 -4.21 116.66 114.05 3mkq n ARG 272 Ca 0.00 0.40 -0.38 0.00 -0.77 0.00 0.00 57.85 57.11 3mkq n ARG 272 Cb 0.00 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.45 3mkq n ARG 272 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mkq s SER 273 N 0.08 6.71 0.00 0.55 0.15 -1.03 -1.86 113.70 118.30 3mkq s SER 273 Ca 0.76 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.25 3mkq s SER 273 Cb -0.88 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.20 3mkq s SER 273 CO 0.51 0.25 0.00 0.79 1.20 0.00 0.00 173.24 175.99 3mkq n TRP 274 N 2.39 0.00 -3.96 3.44 7.02 0.35 -4.26 117.44 122.42 3mkq n TRP 274 Ca -0.13 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.26 3mkq n TRP 274 Cb 0.52 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.34 3mkq n TRP 274 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mkq s ILE 276 N -3.97 0.17 -0.18 0.00 1.10 -1.26 -2.32 121.20 114.74 3mkq s ILE 276 Ca 0.18 -1.70 -0.28 0.00 -0.51 0.00 0.00 60.65 58.33 3mkq s ILE 276 Cb 0.03 -1.64 0.11 0.00 0.15 0.00 0.00 42.46 41.11 3mkq s ILE 276 CO 0.01 -0.77 0.91 0.00 -2.11 0.00 0.00 174.94 172.98 3mkq s ALA 277 N -3.94 -1.89 0.06 1.50 0.00 -0.16 -4.73 121.76 112.59 3mkq s ALA 277 Ca 0.11 1.65 0.04 0.00 0.00 0.00 0.00 51.96 53.77 3mkq s ALA 277 Cb 0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3mkq s ALA 277 CO -0.07 -0.31 -0.13 0.95 0.00 0.00 0.00 175.76 176.21 3mkq s THR 278 N -0.63 0.97 0.09 0.00 -4.23 -1.26 -0.63 115.64 109.95 3mkq s THR 278 Ca -0.02 -1.16 -0.31 0.00 -1.18 0.00 0.00 61.69 59.02 3mkq s THR 278 Cb -0.02 -0.94 -0.09 0.00 1.34 0.00 0.00 72.50 72.79 3mkq s THR 278 CO 0.01 -0.19 1.75 -2.28 -0.54 0.00 0.00 174.62 173.37 3mkq s HIS 279 N -1.16 2.24 0.36 3.99 2.46 -0.17 -4.72 115.29 118.29 3mkq s HIS 279 Ca -0.03 0.12 0.13 0.00 0.47 0.00 0.00 55.06 55.76 3mkq s HIS 279 Cb -0.09 -4.08 0.95 0.00 -0.13 0.00 0.00 32.58 29.23 3mkq s HIS 279 CO 0.02 -4.42 1.78 -1.00 -2.47 0.00 0.00 174.74 168.65 3mkq h PRO 280 N 8.54 0.53 -0.01 2.88 0.13 -1.90 -0.53 132.00 141.65 3mkq h PRO 280 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mkq h PRO 280 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mkq h PRO 280 CO 0.94 0.35 -0.46 2.41 -0.23 0.00 0.00 178.00 181.01 3mkq n THR 281 N -4.69 0.00 -0.69 1.56 -1.04 -1.26 -4.95 114.28 103.20 3mkq n THR 281 Ca 0.24 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3mkq n THR 281 Cb 0.74 0.86 0.00 0.00 -1.82 0.00 0.00 70.33 70.11 3mkq n THR 281 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mkq n GLY 282 N 1.41 0.76 3.68 3.41 0.00 -0.21 -4.97 105.19 109.27 3mkq n GLY 282 Ca 0.09 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.49 3mkq n GLY 282 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mkq n ARG 283 N -2.30 0.33 -1.81 1.61 0.63 -1.26 0.15 116.66 114.01 3mkq n ARG 283 Ca 0.00 0.12 -0.09 0.00 -0.92 0.00 0.00 57.85 56.97 3mkq n ARG 283 Cb 0.00 -1.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.22 3mkq n ARG 283 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3mkq n LYS 284 N 3.69 -1.77 -4.21 -0.14 5.02 -1.26 -1.72 118.16 117.77 3mkq n LYS 284 Ca 0.27 0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 56.71 3mkq n LYS 284 Cb 0.03 -4.81 -0.06 0.00 -0.02 0.00 0.00 35.03 30.17 3mkq n LYS 284 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mkq n ASN 285 N -0.77 -0.58 -4.76 4.39 5.03 0.39 -3.83 115.26 115.13 3mkq n ASN 285 Ca -0.09 -1.14 -0.40 0.00 0.87 0.00 0.00 54.58 53.82 3mkq n ASN 285 Cb 0.42 -2.29 -0.04 0.00 -1.02 0.00 0.00 39.78 36.85 3mkq n ASN 285 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3mkq s TYR 286 N -3.91 3.43 0.02 3.10 4.12 -0.70 -1.29 117.35 122.12 3mkq s TYR 286 Ca 0.24 1.59 -0.06 0.00 0.02 0.00 0.00 57.07 58.87 3mkq s TYR 286 Cb -0.13 -3.40 -0.01 0.00 -1.52 0.00 0.00 41.96 36.90 3mkq s TYR 286 CO 0.95 -0.96 0.10 0.96 0.02 0.00 0.00 175.55 176.62 3mkq s ILE 287 N -1.03 0.10 -0.01 2.71 -4.36 0.00 -1.00 121.20 117.62 3mkq s ILE 287 Ca 0.47 -0.86 -0.07 0.00 -0.26 0.00 0.00 60.65 59.92 3mkq s ILE 287 Cb -0.34 -0.57 0.00 0.00 1.25 0.00 0.00 42.46 42.80 3mkq s ILE 287 CO 0.44 -0.47 0.15 0.00 0.24 0.00 0.00 174.94 175.29 3mkq s ALA 288 N -1.82 -0.35 -0.08 2.27 0.00 0.20 -0.26 121.76 121.72 3mkq s ALA 288 Ca -0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 3mkq s ALA 288 Cb -0.06 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3mkq s ALA 288 CO -0.01 -0.18 0.19 0.45 0.00 0.00 0.00 175.76 176.21 3mkq s SER 289 N -1.09 -0.20 0.08 0.00 0.15 -0.82 -0.98 113.70 110.84 3mkq s SER 289 Ca -0.12 0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.80 3mkq s SER 289 Cb -0.06 0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 64.55 3mkq s SER 289 CO 0.01 -0.10 0.47 -0.83 1.20 0.00 0.00 173.24 173.99 3mkq s GLY 290 N 0.49 2.44 0.18 9.45 0.00 -0.98 -2.46 107.32 116.44 3mkq s GLY 290 Ca -0.03 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.48 3mkq s GLY 290 CO -0.02 0.07 0.05 0.69 0.00 0.00 0.00 173.10 173.89 3mkq n PHE 291 N 1.14 0.13 -0.05 1.90 3.01 0.19 -0.49 117.46 123.29 3mkq n PHE 291 Ca -0.09 -1.08 -0.11 0.00 1.01 0.00 0.00 57.45 57.18 3mkq n PHE 291 Cb 0.52 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.92 3mkq n PHE 291 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3mkq h ASP 292 N 0.65 0.25 -0.43 4.37 3.32 -1.21 -1.31 116.42 122.07 3mkq h ASP 292 Ca -0.14 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3mkq h ASP 292 Cb 0.51 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3mkq h ASP 292 CO 0.22 0.38 0.00 0.59 -1.72 0.00 0.00 179.24 178.72 3mkq n ASN 293 N -4.82 2.74 0.00 6.45 3.02 -0.85 -0.99 115.26 120.81 3mkq n ASN 293 Ca -0.04 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3mkq n ASN 293 Cb 0.14 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3mkq n ASN 293 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mkq n GLY 294 N 1.34 0.32 3.16 7.41 0.00 -1.19 -1.01 105.19 115.21 3mkq n GLY 294 Ca 0.18 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 3mkq n GLY 294 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mkq s PHE 295 N -2.82 0.85 0.03 1.61 -0.71 -0.58 0.56 117.98 116.92 3mkq s PHE 295 Ca 0.00 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 3mkq s PHE 295 Cb 0.00 -0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 41.29 3mkq s PHE 295 CO 0.00 -0.16 -0.04 -0.08 -1.34 0.00 0.00 175.22 173.60 3mkq s THR 296 N -3.46 0.20 -0.07 -4.49 -1.32 -1.03 -0.85 115.64 104.62 3mkq s THR 296 Ca 0.10 -1.09 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 3mkq s THR 296 Cb 0.04 -0.53 0.02 0.00 -1.51 0.00 0.00 72.50 70.52 3mkq s THR 296 CO -0.05 -0.57 -0.11 0.54 -2.21 0.00 0.00 174.62 172.22 3mkq s VAL 297 N -1.87 1.08 0.22 5.08 0.11 0.11 -1.94 120.40 123.18 3mkq s VAL 297 Ca -0.11 -0.43 0.11 0.00 -2.93 0.00 0.00 61.98 58.62 3mkq s VAL 297 Cb -0.07 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 3mkq s VAL 297 CO -0.02 0.35 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.15 3mkq s LEU 298 N 0.80 2.64 -0.27 2.54 1.43 0.64 -1.56 118.68 124.92 3mkq s LEU 298 Ca -0.12 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 3mkq s LEU 298 Cb -0.15 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 3mkq s LEU 298 CO 0.02 0.09 0.04 -0.55 0.23 0.00 0.00 176.35 176.18 3mkq s SER 299 N -3.01 4.89 0.36 2.29 0.15 -0.65 -0.82 113.70 116.91 3mkq s SER 299 Ca 0.25 -0.54 0.17 0.00 0.70 0.00 0.00 55.95 56.53 3mkq s SER 299 Cb -0.07 -1.84 0.66 0.00 -1.71 0.00 0.00 66.02 63.05 3mkq s SER 299 CO 0.13 -0.11 1.73 -0.07 1.20 0.00 0.00 173.24 176.12 3mkq h LEU 300 N 8.19 0.00 0.00 3.45 3.38 -1.29 -1.07 115.31 127.97 3mkq h LEU 300 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3mkq h LEU 300 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3mkq h LEU 300 CO 0.60 0.41 0.00 0.61 0.09 0.00 0.00 178.44 180.14 3mkq n GLY 301 N 0.14 -0.63 3.53 0.83 0.00 -1.25 -3.12 105.19 104.69 3mkq n GLY 301 Ca -0.01 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 3mkq n GLY 301 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mkq n ASN 302 N 0.00 0.43 -0.00 1.61 2.85 -1.26 -4.31 115.26 114.57 3mkq n ASN 302 Ca 0.00 1.13 0.11 0.00 -0.11 0.00 0.00 54.58 55.71 3mkq n ASN 302 Cb 0.00 -1.19 -0.15 0.00 1.24 0.00 0.00 39.78 39.68 3mkq n ASN 302 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3mkq n ASP 303 N 1.39 0.15 -4.66 1.20 2.03 -1.26 -4.84 116.55 110.56 3mkq n ASP 303 Ca 0.12 -0.09 -0.41 0.00 0.52 0.00 0.00 54.79 54.93 3mkq n ASP 303 Cb 0.31 1.80 0.01 0.00 -0.72 0.00 0.00 41.12 42.53 3mkq n ASP 303 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3mkq n GLU 304 N -2.20 1.66 -2.55 -0.67 1.02 -1.26 -4.87 120.64 111.76 3mkq n GLU 304 Ca -0.03 0.59 -0.37 0.00 -0.02 0.00 0.00 57.16 57.34 3mkq n GLU 304 Cb 0.54 -2.23 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 3mkq n GLU 304 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mkq s PRO 305 N -2.13 4.20 -0.56 3.49 0.04 -1.26 -5.00 135.00 133.77 3mkq s PRO 305 Ca 0.62 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 3mkq s PRO 305 Cb -0.53 -2.57 0.12 0.00 0.04 0.00 0.00 34.50 31.56 3mkq s PRO 305 CO 0.57 -0.11 0.57 0.99 0.04 0.00 0.00 177.00 179.06 3mkq s THR 306 N -1.65 5.07 0.35 1.26 2.01 -1.26 -5.01 115.64 116.41 3mkq s THR 306 Ca 0.57 -1.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3mkq s THR 306 Cb -0.22 -4.39 0.00 0.00 0.01 0.00 0.00 72.50 67.91 3mkq s THR 306 CO 0.28 -0.95 0.48 -1.48 -0.69 0.00 0.00 174.62 172.25 3mkq s LEU 307 N 1.98 1.07 -0.26 4.42 2.34 -1.26 -1.34 118.68 125.63 3mkq s LEU 307 Ca 0.06 -1.53 -0.25 0.00 0.06 0.00 0.00 54.13 52.47 3mkq s LEU 307 Cb -0.28 1.46 0.09 0.00 -0.56 0.00 0.00 46.19 46.90 3mkq s LEU 307 CO 0.04 -1.31 0.84 -0.55 -1.06 0.00 0.00 176.35 174.31 3mkq s SER 308 N -3.25 -0.63 -0.13 1.48 0.15 -0.09 -4.74 113.70 106.48 3mkq s SER 308 Ca 0.31 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 58.13 3mkq s SER 308 Cb -0.01 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 3mkq s SER 308 CO 0.21 -0.23 -0.12 -0.22 1.20 0.00 0.00 173.24 174.08 3mkq s LEU 309 N 0.21 2.76 0.81 3.45 2.96 -1.26 -1.08 118.68 126.53 3mkq s LEU 309 Ca 0.01 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 3mkq s LEU 309 Cb -0.05 -1.63 0.14 0.00 0.50 0.00 0.00 46.19 45.15 3mkq s LEU 309 CO -0.01 0.16 1.14 1.51 -1.32 0.00 0.00 176.35 177.82 3mkq s ASP 310 N 0.39 3.98 0.28 3.68 3.84 -0.78 -4.94 116.67 123.13 3mkq s ASP 310 Ca -0.10 0.13 0.01 0.00 -0.00 0.00 0.00 52.55 52.59 3mkq s ASP 310 Cb -0.16 -0.45 0.67 0.00 -1.38 0.00 0.00 42.92 41.60 3mkq s ASP 310 CO 0.05 -2.14 1.64 -0.65 -0.00 0.00 0.00 175.17 174.07 3mkq h PRO 311 N -1.00 0.19 0.00 2.11 0.11 -1.85 -2.85 132.00 128.70 3mkq h PRO 311 Ca -0.42 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 3mkq h PRO 311 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3mkq h PRO 311 CO 0.45 0.12 -0.85 0.28 -0.21 0.00 0.00 178.00 177.79 3mkq h VAL 312 N 0.19 0.37 0.00 3.15 2.07 -1.94 -3.47 116.25 116.62 3mkq h VAL 312 Ca 0.53 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3mkq h VAL 312 Cb 1.05 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3mkq h VAL 312 CO -0.66 0.21 0.00 0.61 0.02 0.00 0.00 177.57 177.75 3mkq n GLY 313 N 1.25 0.01 3.64 2.17 0.00 -1.07 -4.91 105.19 106.27 3mkq n GLY 313 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3mkq n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 314 N 0.00 3.96 -0.13 1.61 1.02 -1.26 -2.33 119.74 122.61 3mkq s LYS 314 Ca 0.00 1.36 -0.09 0.00 0.02 0.00 0.00 55.97 57.25 3mkq s LYS 314 Cb 0.00 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 3mkq s LYS 314 CO 0.00 -1.06 0.19 -1.17 -0.92 0.00 0.00 175.35 172.39 3mkq s LEU 315 N 4.28 4.34 -0.02 3.17 2.96 -0.57 -1.86 118.68 130.97 3mkq s LEU 315 Ca 0.57 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.00 3mkq s LEU 315 Cb -0.18 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3mkq s LEU 315 CO 0.22 0.31 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.73 3mkq s VAL 316 N -0.53 1.14 0.10 1.68 1.01 -0.24 -1.74 120.40 121.83 3mkq s VAL 316 Ca 0.15 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3mkq s VAL 316 Cb -0.12 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3mkq s VAL 316 CO 0.04 0.33 0.30 -1.66 0.00 0.00 0.00 175.10 174.10 3mkq s TRP 317 N -0.09 -0.03 0.04 5.22 -2.14 -0.68 -0.91 118.94 120.34 3mkq s TRP 317 Ca 0.01 -0.33 0.04 0.00 2.66 0.00 0.00 56.10 58.48 3mkq s TRP 317 Cb -0.08 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.35 3mkq s TRP 317 CO 0.00 -0.62 -0.02 -1.54 -2.66 0.00 0.00 176.95 172.12 3mkq s SER 318 N -2.78 4.91 1.77 -2.66 1.04 -0.45 -1.29 113.70 114.23 3mkq s SER 318 Ca 0.03 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3mkq s SER 318 Cb 0.03 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.97 3mkq s SER 318 CO -0.11 0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.95 3mkq n GLY 319 N 1.05 2.92 0.00 7.32 0.00 -0.33 -4.54 105.19 111.61 3mkq n GLY 319 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3mkq n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mkq n GLY 320 N 0.00 1.05 3.64 -0.02 0.00 -1.26 -4.69 105.19 103.91 3mkq n GLY 320 Ca 0.00 -2.03 -0.49 0.00 0.00 0.00 0.00 46.02 43.50 3mkq n GLY 320 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mkq n LYS 321 N 1.41 1.95 -2.88 1.61 4.81 -1.24 -2.27 118.16 121.55 3mkq n LYS 321 Ca 0.00 0.68 -0.09 0.00 -0.87 0.00 0.00 58.31 58.03 3mkq n LYS 321 Cb 0.00 -2.66 0.03 0.00 0.02 0.00 0.00 35.03 32.42 3mkq n LYS 321 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3mkq n ASN 322 N 7.64 -3.57 -3.59 3.14 5.15 -1.26 -5.06 115.26 117.72 3mkq n ASN 322 Ca 0.26 -0.19 -0.14 0.00 -0.60 0.00 0.00 54.58 53.91 3mkq n ASN 322 Cb 0.29 -2.14 -0.06 0.00 -0.53 0.00 0.00 39.78 37.35 3mkq n ASN 322 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mkq s ALA 323 N -3.10 -1.34 0.41 5.20 0.00 -0.96 -4.80 121.76 117.16 3mkq s ALA 323 Ca 0.21 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 3mkq s ALA 323 Cb -0.09 0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 3mkq s ALA 323 CO 0.26 -0.46 1.19 0.00 0.00 0.00 0.00 175.76 176.75 3mkq s ALA 324 N -2.13 3.16 0.64 0.00 0.00 -1.26 -4.35 121.76 117.82 3mkq s ALA 324 Ca -0.07 1.02 0.36 0.00 0.00 0.00 0.00 51.96 53.27 3mkq s ALA 324 Cb -0.01 -3.40 2.01 0.00 0.00 0.00 0.00 23.12 21.72 3mkq s ALA 324 CO 0.01 -0.60 2.19 0.00 0.00 0.00 0.00 175.76 177.36 3mkq h ALA 325 N 2.60 1.31 -0.59 0.00 0.00 -1.92 -0.55 119.26 120.12 3mkq h ALA 325 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mkq h ALA 325 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mkq h ALA 325 CO 0.62 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 3mkq n SER 326 N -3.27 4.57 -4.74 0.00 3.41 -1.26 -3.38 113.62 108.95 3mkq n SER 326 Ca -0.02 -2.47 -0.35 0.00 -0.26 0.00 0.00 58.87 55.77 3mkq n SER 326 Cb 0.20 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.50 3mkq n SER 326 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3mkq s ASP 327 N -0.84 6.05 -0.06 4.04 1.01 -0.22 -2.99 116.67 123.65 3mkq s ASP 327 Ca 0.48 0.25 -0.00 0.00 0.71 0.00 0.00 52.55 53.99 3mkq s ASP 327 Cb 0.32 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 42.20 3mkq s ASP 327 CO 0.22 0.25 -0.03 -0.63 0.21 0.00 0.00 175.17 175.19 3mkq s ILE 328 N -0.10 4.04 0.16 0.77 -1.09 -1.22 -1.19 121.20 122.58 3mkq s ILE 328 Ca 0.09 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 3mkq s ILE 328 Cb -0.12 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 3mkq s ILE 328 CO 0.00 0.56 0.02 -0.36 -1.23 0.00 0.00 174.94 173.94 3mkq s PHE 329 N -0.89 1.11 0.04 3.97 0.40 -0.41 -0.79 117.98 121.40 3mkq s PHE 329 Ca 0.14 -1.09 -0.04 0.00 -0.60 0.00 0.00 56.93 55.33 3mkq s PHE 329 Cb -0.11 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.77 3mkq s PHE 329 CO 0.03 -0.31 0.07 0.99 0.70 0.00 0.00 175.22 176.70 3mkq s THR 330 N -3.79 0.14 0.26 0.64 2.01 -0.16 -1.69 115.64 113.06 3mkq s THR 330 Ca 0.24 -1.18 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 3mkq s THR 330 Cb 0.07 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3mkq s THR 330 CO 0.04 -0.65 0.42 0.00 -0.69 0.00 0.00 174.62 173.74 3mkq s ALA 331 N -2.73 0.21 -0.05 7.40 0.00 -0.71 -1.04 121.76 124.84 3mkq s ALA 331 Ca -0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3mkq s ALA 331 Cb -0.00 1.14 0.03 0.00 0.00 0.00 0.00 23.12 24.28 3mkq s ALA 331 CO -0.05 -0.80 0.03 0.08 0.00 0.00 0.00 175.76 175.02 3mkq s VAL 332 N -3.80 0.13 -0.69 0.00 1.01 -1.26 -1.52 120.40 114.27 3mkq s VAL 332 Ca 0.27 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 3mkq s VAL 332 Cb 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.09 3mkq s VAL 332 CO 0.12 0.20 1.34 -0.63 0.00 0.00 0.00 175.10 176.13 3mkq s ILE 333 N 1.87 3.73 0.10 2.22 1.01 -0.98 -4.75 121.20 124.40 3mkq s ILE 333 Ca 0.02 0.48 0.20 0.00 0.00 0.00 0.00 60.65 61.35 3mkq s ILE 333 Cb -0.12 -4.75 0.17 0.00 0.01 0.00 0.00 42.46 37.76 3mkq s ILE 333 CO -0.04 -1.63 1.73 0.03 0.00 0.00 0.00 174.94 175.03 3mkq h ARG 334 N 10.56 0.00 0.00 2.79 2.47 -1.95 -3.46 114.38 124.80 3mkq h ARG 334 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 3mkq h ARG 334 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 3mkq h ARG 334 CO 1.25 0.33 0.00 0.41 0.56 0.00 0.00 179.97 182.52 3mkq n GLY 335 N 0.34 0.80 2.40 0.04 0.00 -1.26 -5.00 105.19 102.50 3mkq n GLY 335 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3mkq n GLY 335 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mkq n ASN 336 N 0.03 2.13 -4.31 1.61 6.94 -1.26 -4.94 115.26 115.47 3mkq n ASN 336 Ca 0.00 -3.16 -0.37 0.00 -0.02 0.00 0.00 54.58 51.03 3mkq n ASN 336 Cb 0.00 -0.63 -0.13 0.00 -2.36 0.00 0.00 39.78 36.66 3mkq n ASN 336 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3mkq s GLU 337 N -2.25 2.94 0.49 -3.83 0.41 -1.26 -4.96 118.70 110.24 3mkq s GLU 337 Ca 0.40 -0.95 0.30 0.00 -0.41 0.00 0.00 54.97 54.31 3mkq s GLU 337 Cb 0.23 -3.34 1.40 0.00 -1.78 0.00 0.00 34.13 30.63 3mkq s GLU 337 CO -0.08 -0.49 1.79 0.93 -0.49 0.00 0.00 175.26 176.92 3mkq h GLU 338 N 8.20 0.13 -2.22 1.61 4.39 -2.00 -3.44 114.58 121.24 3mkq h GLU 338 Ca -0.29 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.16 3mkq h GLU 338 Cb 1.11 -0.03 0.05 0.00 -0.10 0.00 0.00 28.75 29.78 3mkq h GLU 338 CO 0.60 0.09 -0.28 0.28 -1.16 0.00 0.00 179.01 178.53 3mkq n VAL 339 N -4.35 0.46 -1.66 3.13 0.31 -1.26 -4.95 118.33 110.02 3mkq n VAL 339 Ca 0.25 -0.19 -0.31 0.00 -0.01 0.00 0.00 64.34 64.09 3mkq n VAL 339 Cb 1.11 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 34.10 3mkq n VAL 339 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3mkq s GLU 340 N -0.37 2.80 0.07 5.55 0.41 -1.26 -4.98 118.70 120.92 3mkq s GLU 340 Ca 0.23 0.77 -0.37 0.00 -0.41 0.00 0.00 54.97 55.18 3mkq s GLU 340 Cb -0.28 -1.99 -0.20 0.00 -1.78 0.00 0.00 34.13 29.87 3mkq s GLU 340 CO 0.22 -1.15 1.58 0.37 -0.49 0.00 0.00 175.26 175.79 3mkq h GLN 341 N -0.75 -1.22 -0.50 1.61 4.15 -1.92 -2.46 115.11 114.02 3mkq h GLN 341 Ca -0.45 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3mkq h GLN 341 Cb 1.23 0.28 0.00 0.00 0.21 0.00 0.00 27.48 29.20 3mkq h GLN 341 CO 0.59 -0.81 0.00 -0.40 -1.93 0.00 0.00 178.83 176.28 3mkq n ASP 342 N -5.64 0.50 -4.31 -0.69 3.85 -1.26 -4.36 116.55 104.63 3mkq n ASP 342 Ca -0.16 -1.05 -0.30 0.00 -0.71 0.00 0.00 54.79 52.57 3mkq n ASP 342 Cb 0.51 -0.25 -0.15 0.00 -1.35 0.00 0.00 41.12 39.88 3mkq n ASP 342 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3mkq s GLU 343 N -1.05 1.93 0.66 0.11 0.41 -0.93 -5.13 118.70 114.70 3mkq s GLU 343 Ca 0.00 -0.97 -0.16 0.00 -0.41 0.00 0.00 54.97 53.43 3mkq s GLU 343 Cb 0.00 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.40 3mkq s GLU 343 CO 0.00 0.52 1.15 -1.25 -0.49 0.00 0.00 175.26 175.20 3mkq s PRO 344 N -0.83 2.66 0.46 0.39 0.04 -1.26 -4.64 135.00 131.82 3mkq s PRO 344 Ca 0.10 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 3mkq s PRO 344 Cb -0.10 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3mkq s PRO 344 CO 0.00 -1.39 0.91 -0.51 0.04 0.00 0.00 177.00 176.05 3mkq s LEU 345 N -4.76 3.76 -1.18 -3.56 1.43 0.91 -4.88 118.68 110.40 3mkq s LEU 345 Ca 0.71 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 3mkq s LEU 345 Cb -0.25 -4.37 0.22 0.00 0.03 0.00 0.00 46.19 41.83 3mkq s LEU 345 CO 0.40 -0.48 1.37 -0.24 0.23 0.00 0.00 176.35 177.63 3mkq n SER 346 N -1.27 5.41 -4.83 2.29 2.88 -1.26 -4.74 113.62 112.09 3mkq n SER 346 Ca 0.05 -3.04 -0.33 0.00 -1.33 0.00 0.00 58.87 54.23 3mkq n SER 346 Cb 0.54 -1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 3mkq n SER 346 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3mkq s LEU 347 N 0.08 3.90 -0.46 2.46 1.43 -1.26 -5.03 118.68 119.80 3mkq s LEU 347 Ca 0.38 1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 54.85 3mkq s LEU 347 Cb -0.04 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.81 3mkq s LEU 347 CO -0.02 -0.37 0.49 -1.58 0.23 0.00 0.00 176.35 175.10 3mkq s GLN 348 N -3.34 3.08 0.56 1.70 0.74 -1.26 -5.03 119.66 116.11 3mkq s GLN 348 Ca 0.59 -0.91 -0.15 0.00 0.05 0.00 0.00 55.36 54.94 3mkq s GLN 348 Cb -0.09 -4.04 -0.06 0.00 1.10 0.00 0.00 33.01 29.92 3mkq s GLN 348 CO 0.18 -1.01 1.01 0.99 -0.55 0.00 0.00 175.29 175.92 3mkq s THR 349 N 2.21 4.39 -0.15 -0.34 2.01 -1.26 -4.29 115.64 118.21 3mkq s THR 349 Ca 0.12 1.04 -0.10 0.00 0.31 0.00 0.00 61.69 63.06 3mkq s THR 349 Cb -0.19 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.71 3mkq s THR 349 CO 0.12 -0.76 0.38 -0.75 -0.69 0.00 0.00 174.62 172.92 3mkq s LYS 350 N -4.37 0.38 0.15 4.92 2.47 -0.21 -4.96 119.74 118.13 3mkq s LYS 350 Ca 0.59 0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 55.38 3mkq s LYS 350 Cb -0.12 0.03 -0.08 0.00 -1.46 0.00 0.00 37.83 36.21 3mkq s LYS 350 CO 0.39 -0.13 1.22 -1.21 0.16 0.00 0.00 175.35 175.78 3mkq s GLU 351 N 1.04 4.46 -0.22 4.03 2.02 -1.26 -0.99 118.70 127.78 3mkq s GLU 351 Ca -0.07 1.88 0.04 0.00 0.02 0.00 0.00 54.97 56.84 3mkq s GLU 351 Cb -0.07 -3.26 -0.16 0.00 0.10 0.00 0.00 34.13 30.74 3mkq s GLU 351 CO -0.08 -0.17 -0.16 -0.11 0.02 0.00 0.00 175.26 174.76 3mkq n LEU 352 N 2.95 2.50 0.00 1.80 0.00 0.03 -4.90 117.00 119.38 3mkq n LEU 352 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 56.01 55.97 3mkq n LEU 352 Cb 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 43.42 43.27 3mkq n LEU 352 CO 0.56 0.81 0.00 0.61 0.00 0.00 0.00 177.39 179.37 3mkq n GLY 353 N 2.33 -0.66 0.00 -3.96 0.00 -1.22 -4.88 105.19 96.79 3mkq n GLY 353 Ca -0.39 0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mkq n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mkq n SER 354 N 0.00 0.00 -4.66 1.61 3.41 -1.26 -3.37 113.62 109.35 3mkq n SER 354 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 3mkq n SER 354 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 3mkq n SER 354 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3mkq n VAL 355 N 0.00 0.75 -2.59 -3.33 0.31 -1.16 -4.93 118.33 107.38 3mkq n VAL 355 Ca 0.00 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 63.92 3mkq n VAL 355 Cb 0.00 -1.05 -0.00 0.00 -0.91 0.00 0.00 33.84 31.87 3mkq n VAL 355 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3mkq n ASP 356 N -3.74 5.70 -3.62 4.52 5.75 -1.26 -4.77 116.55 119.12 3mkq n ASP 356 Ca 0.12 -3.72 -0.14 0.00 -0.01 0.00 0.00 54.79 51.04 3mkq n ASP 356 Cb 0.51 -0.76 -0.06 0.00 -1.03 0.00 0.00 41.12 39.79 3mkq n ASP 356 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mkq s VAL 357 N -4.81 0.04 -0.48 2.12 0.11 -1.26 -5.11 120.40 111.01 3mkq s VAL 357 Ca 0.47 -0.30 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 3mkq s VAL 357 Cb 0.31 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3mkq s VAL 357 CO -0.19 -0.16 1.24 0.12 -3.33 0.00 0.00 175.10 172.77 3mkq s PHE 358 N -2.08 2.64 -0.25 1.54 5.36 -1.26 -4.74 117.98 119.19 3mkq s PHE 358 Ca -0.07 0.64 -0.29 0.00 -0.96 0.00 0.00 56.93 56.24 3mkq s PHE 358 Cb -0.01 -4.42 -0.06 0.00 -0.34 0.00 0.00 43.02 38.18 3mkq s PHE 358 CO 0.01 -1.55 2.22 -0.35 -1.46 0.00 0.00 175.22 174.09 3mkq n PRO 359 N 8.06 1.78 -0.10 10.12 -0.04 -1.26 -3.99 135.00 149.56 3mkq n PRO 359 Ca 0.13 0.48 -0.20 0.00 -0.04 0.00 0.00 63.50 63.87 3mkq n PRO 359 Cb 0.49 -3.09 -0.12 0.00 -0.04 0.00 0.00 33.50 30.74 3mkq n PRO 359 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3mkq h GLN 360 N 14.62 0.00 -5.19 0.54 4.20 -0.15 -3.48 115.11 125.65 3mkq h GLN 360 Ca -0.38 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.94 3mkq h GLN 360 Cb 1.26 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.82 3mkq h GLN 360 CO 0.97 0.99 -0.77 -1.54 -0.67 0.00 0.00 178.83 177.82 3mkq s SER 361 N -6.70 1.52 -0.19 1.46 1.04 -1.17 -4.95 113.70 104.70 3mkq s SER 361 Ca -0.27 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 3mkq s SER 361 Cb 0.04 -0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.21 3mkq s SER 361 CO 0.61 -0.10 0.17 -0.22 0.98 0.00 0.00 173.24 174.68 3mkq s LEU 362 N -1.72 0.09 -0.02 2.42 0.20 -1.26 -1.35 118.68 117.04 3mkq s LEU 362 Ca -0.03 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.38 3mkq s LEU 362 Cb -0.10 0.11 0.00 0.00 -0.43 0.00 0.00 46.19 45.78 3mkq s LEU 362 CO 0.02 -0.34 -0.06 0.00 -0.29 0.00 0.00 176.35 175.68 3mkq s ALA 363 N 2.24 0.58 0.60 5.97 0.00 -0.87 -4.26 121.76 126.03 3mkq s ALA 363 Ca 0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 3mkq s ALA 363 Cb -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3mkq s ALA 363 CO -0.12 0.09 1.04 -1.01 0.00 0.00 0.00 175.76 175.76 3mkq s HIS 364 N 0.20 3.14 0.72 0.00 3.76 -1.26 -1.27 115.29 120.58 3mkq s HIS 364 Ca -0.02 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.23 3mkq s HIS 364 Cb -0.07 -2.92 0.03 0.00 1.11 0.00 0.00 32.58 30.74 3mkq s HIS 364 CO -0.00 -0.98 1.10 -1.54 -0.85 0.00 0.00 174.74 172.47 3mkq s SER 365 N -3.16 4.78 0.58 1.40 1.04 0.04 -4.85 113.70 113.54 3mkq s SER 365 Ca 0.61 1.89 0.29 0.00 0.48 0.00 0.00 55.95 59.22 3mkq s SER 365 Cb -0.14 -2.53 1.45 0.00 0.10 0.00 0.00 66.02 64.90 3mkq s SER 365 CO 0.41 -1.85 1.86 1.55 0.98 0.00 0.00 173.24 176.19 3mkq h PRO 366 N -0.65 0.00 -0.01 4.02 0.13 -1.89 0.10 132.00 133.71 3mkq h PRO 366 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mkq h PRO 366 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mkq h PRO 366 CO 0.53 0.00 -0.36 0.27 -0.23 0.00 0.00 178.00 178.20 3mkq n ASN 367 N -3.76 1.17 0.00 1.44 6.94 -1.26 -4.76 115.26 115.04 3mkq n ASN 367 Ca 0.10 -0.95 0.00 0.00 -0.02 0.00 0.00 54.58 53.71 3mkq n ASN 367 Cb 0.75 0.26 0.00 0.00 -2.36 0.00 0.00 39.78 38.43 3mkq n ASN 367 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mkq n GLY 368 N 1.38 0.54 0.07 4.83 0.00 0.36 -4.75 105.19 107.63 3mkq n GLY 368 Ca 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 3mkq n GLY 368 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mkq h ARG 369 N 1.22 0.01 -5.70 1.61 2.43 -1.93 -3.43 114.38 108.59 3mkq h ARG 369 Ca 0.00 -0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 58.62 3mkq h ARG 369 Cb 0.00 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.42 3mkq h ARG 369 CO 0.00 0.90 -0.69 -0.06 -1.51 0.00 0.00 179.97 178.60 3mkq s PHE 370 N -2.68 2.08 -0.03 2.20 0.08 -1.26 -0.79 117.98 117.57 3mkq s PHE 370 Ca -0.01 -0.60 -0.00 0.00 0.12 0.00 0.00 56.93 56.45 3mkq s PHE 370 Cb 0.09 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3mkq s PHE 370 CO 0.82 0.41 0.02 0.08 -0.10 0.00 0.00 175.22 176.45 3mkq s VAL 371 N -2.85 0.08 -0.14 -0.44 1.01 -0.09 -0.78 120.40 117.18 3mkq s VAL 371 Ca 0.30 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3mkq s VAL 371 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 3mkq s VAL 371 CO 0.13 0.14 -0.04 -0.89 0.00 0.00 0.00 175.10 174.44 3mkq s THR 372 N 1.27 3.86 -0.16 3.92 2.01 -0.39 -0.61 115.64 125.53 3mkq s THR 372 Ca -0.06 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3mkq s THR 372 Cb -0.13 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.71 3mkq s THR 372 CO -0.03 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.57 3mkq s VAL 373 N 0.14 2.58 -0.07 3.82 1.01 -0.45 -2.05 120.40 125.38 3mkq s VAL 373 Ca -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3mkq s VAL 373 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3mkq s VAL 373 CO 0.03 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 174.97 3mkq s VAL 374 N 0.93 4.39 -0.30 2.92 1.01 -0.46 -2.09 120.40 126.81 3mkq s VAL 374 Ca -0.03 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 3mkq s VAL 374 Cb -0.15 -2.88 0.19 0.00 0.00 0.00 0.00 36.38 33.54 3mkq s VAL 374 CO -0.02 0.55 1.43 -0.83 0.00 0.00 0.00 175.10 176.23 3mkq s GLY 375 N -1.06 0.32 -1.34 4.51 0.00 0.68 0.65 107.32 111.09 3mkq s GLY 375 Ca 0.15 3.44 -0.08 0.00 0.00 0.00 0.00 44.72 48.23 3mkq s GLY 375 CO 0.04 1.86 0.49 1.22 0.00 0.00 0.00 173.10 176.71 3mkq n ASP 376 N 1.49 -1.69 -1.17 1.64 8.00 -1.26 -0.57 116.55 123.01 3mkq n ASP 376 Ca -0.09 -1.06 -0.15 0.00 0.71 0.00 0.00 54.79 54.19 3mkq n ASP 376 Cb 0.57 -2.87 -0.06 0.00 -0.02 0.00 0.00 41.12 38.74 3mkq n ASP 376 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mkq n GLY 377 N -1.98 1.49 3.23 0.44 0.00 -1.26 -4.98 105.19 102.14 3mkq n GLY 377 Ca -0.25 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 3mkq n GLY 377 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mkq s GLU 378 N -3.31 1.22 -0.02 1.61 2.02 0.27 -1.04 118.70 119.45 3mkq s GLU 378 Ca 0.00 -1.64 -0.13 0.00 0.02 0.00 0.00 54.97 53.22 3mkq s GLU 378 Cb 0.00 0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.30 3mkq s GLU 378 CO 0.00 -0.32 0.28 1.52 0.02 0.00 0.00 175.26 176.76 3mkq s TYR 379 N -3.97 -0.16 -0.06 1.61 -0.85 -0.46 -0.23 117.35 113.23 3mkq s TYR 379 Ca 0.35 0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 57.06 3mkq s TYR 379 Cb 0.07 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.51 3mkq s TYR 379 CO 0.10 -0.36 0.21 0.14 -1.52 0.00 0.00 175.55 174.12 3mkq s VAL 380 N -1.25 0.02 -0.06 -3.49 -7.23 -0.89 -1.84 120.40 105.66 3mkq s VAL 380 Ca -0.13 -0.15 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 3mkq s VAL 380 Cb -0.05 -0.34 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 3mkq s VAL 380 CO 0.04 -0.08 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.95 3mkq s ILE 381 N -0.23 2.87 0.21 -0.62 1.01 0.15 -1.35 121.20 123.25 3mkq s ILE 381 Ca -0.03 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.89 3mkq s ILE 381 Cb -0.03 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3mkq s ILE 381 CO 0.01 0.58 -0.10 -0.31 0.00 0.00 0.00 174.94 175.11 3mkq s TYR 382 N -0.55 1.62 -0.12 3.97 1.51 0.22 -0.62 117.35 123.39 3mkq s TYR 382 Ca 0.08 -0.68 -0.24 0.00 -1.01 0.00 0.00 57.07 55.22 3mkq s TYR 382 Cb -0.11 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 3mkq s TYR 382 CO 0.01 0.23 0.76 0.99 -1.11 0.00 0.00 175.55 176.44 3mkq s THR 383 N -3.12 4.97 0.62 -0.71 2.01 -0.70 -0.92 115.64 117.80 3mkq s THR 383 Ca 0.23 1.53 0.31 0.00 0.31 0.00 0.00 61.69 64.07 3mkq s THR 383 Cb 0.01 -4.09 0.35 0.00 0.01 0.00 0.00 72.50 68.79 3mkq s THR 383 CO 0.06 0.14 2.03 0.00 -0.69 0.00 0.00 174.62 176.16 3mkq h ALA 384 N 7.08 1.63 -3.00 7.40 0.00 -1.24 0.15 119.26 131.28 3mkq h ALA 384 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3mkq h ALA 384 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mkq h ALA 384 CO 0.79 -0.36 0.00 -0.11 0.00 0.00 0.00 179.25 179.57 3mkq n LEU 385 N -3.39 1.41 0.00 0.00 0.00 -1.26 -4.44 117.00 109.32 3mkq n LEU 385 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 56.01 56.12 3mkq n LEU 385 Cb 0.39 0.00 0.51 0.00 0.00 0.00 0.00 43.42 44.32 3mkq n LEU 385 CO 0.22 0.00 0.77 0.00 0.00 0.00 0.00 177.39 178.38 3mkq n ALA 386 N -1.69 2.09 -3.87 1.96 0.00 -1.25 -4.86 120.51 112.89 3mkq n ALA 386 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 3mkq n ALA 386 Cb 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.16 3mkq n ALA 386 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3mkq n TRP 387 N -1.16 -2.20 -3.09 0.00 -0.00 0.51 -4.94 117.44 106.55 3mkq n TRP 387 Ca 0.11 0.85 -0.35 0.00 -0.00 0.00 0.00 57.50 58.11 3mkq n TRP 387 Cb 0.11 -3.81 -0.06 0.00 -0.00 0.00 0.00 31.31 27.55 3mkq n TRP 387 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3mkq s ARG 388 N -6.58 4.17 -0.20 5.87 0.52 -1.25 -4.71 118.95 116.78 3mkq s ARG 388 Ca 0.65 0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 56.38 3mkq s ARG 388 Cb -0.33 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 3mkq s ARG 388 CO 0.80 0.29 1.20 1.21 0.02 0.00 0.00 175.30 178.81 3mkq s ASN 389 N -1.90 6.97 -0.13 0.23 2.47 -1.26 -1.71 114.94 119.60 3mkq s ASN 389 Ca 0.48 1.55 0.17 0.00 0.42 0.00 0.00 52.86 55.48 3mkq s ASN 389 Cb -0.14 -2.54 -0.24 0.00 -1.45 0.00 0.00 41.25 36.88 3mkq s ASN 389 CO 0.19 -0.76 0.30 0.29 -3.72 0.00 0.00 177.10 173.40 3mkq n LYS 390 N 6.59 0.67 -3.60 0.43 4.76 0.21 -4.99 118.16 122.22 3mkq n LYS 390 Ca 0.13 0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.56 3mkq n LYS 390 Cb 0.45 -1.60 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 3mkq n LYS 390 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mkq s ALA 391 N -2.66 -1.73 -0.10 7.82 0.00 -1.20 -4.98 121.76 118.92 3mkq s ALA 391 Ca -0.08 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3mkq s ALA 391 Cb 0.07 0.55 0.10 0.00 0.00 0.00 0.00 23.12 23.84 3mkq s ALA 391 CO 0.84 -0.84 0.85 -0.59 0.00 0.00 0.00 175.76 176.02 3mkq s PHE 392 N -3.25 -0.49 0.02 0.00 -0.71 -1.26 -0.67 117.98 111.62 3mkq s PHE 392 Ca 0.08 0.79 -0.27 0.00 -1.04 0.00 0.00 56.93 56.49 3mkq s PHE 392 Cb -0.01 0.44 0.09 0.00 -1.21 0.00 0.00 43.02 42.33 3mkq s PHE 392 CO -0.05 -0.48 1.24 0.20 -1.34 0.00 0.00 175.22 174.80 3mkq s GLY 393 N -1.27 -0.08 -0.23 1.99 0.00 -0.77 -5.01 107.32 101.95 3mkq s GLY 393 Ca -0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 3mkq s GLY 393 CO 0.04 5.01 0.44 0.54 0.00 0.00 0.00 173.10 179.13 3mkq s LYS 394 N -2.05 4.12 0.19 2.90 3.01 -1.26 -1.36 119.74 125.29 3mkq s LYS 394 Ca 0.28 0.23 -0.15 0.00 -1.01 0.00 0.00 55.97 55.32 3mkq s LYS 394 Cb -0.01 -3.59 0.02 0.00 -1.01 0.00 0.00 37.83 33.24 3mkq s LYS 394 CO 0.01 -0.17 0.46 0.00 0.51 0.00 0.00 175.35 176.15 3mkq n GLN 396 N -0.31 0.81 -3.76 0.00 6.02 0.21 -2.95 117.38 117.40 3mkq n GLN 396 Ca -0.09 0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 3mkq n GLN 396 Cb 0.62 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.34 3mkq n GLN 396 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3mkq s ASP 397 N -5.72 -0.09 -0.07 1.08 2.15 -1.25 -4.95 116.67 107.81 3mkq s ASP 397 Ca -0.19 -0.27 -0.07 0.00 0.43 0.00 0.00 52.55 52.45 3mkq s ASP 397 Cb 0.07 0.36 0.02 0.00 -0.30 0.00 0.00 42.92 43.07 3mkq s ASP 397 CO 0.66 -0.64 0.20 0.12 -0.17 0.00 0.00 175.17 175.33 3mkq s PHE 398 N -2.81 -0.21 -0.12 -5.34 5.36 -1.26 -2.47 117.98 111.12 3mkq s PHE 398 Ca -0.03 0.52 -0.09 0.00 -0.96 0.00 0.00 56.93 56.37 3mkq s PHE 398 Cb 0.00 0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.79 3mkq s PHE 398 CO -0.05 -0.11 0.31 0.14 -1.46 0.00 0.00 175.22 174.05 3mkq s VAL 399 N 0.06 -0.01 0.50 3.12 -7.23 -0.97 -5.00 120.40 110.86 3mkq s VAL 399 Ca -0.00 0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.02 3mkq s VAL 399 Cb -0.02 -0.45 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 3mkq s VAL 399 CO 0.00 0.02 1.06 0.26 -0.31 0.00 0.00 175.10 176.13 3mkq s TRP 400 N 0.64 2.93 0.69 2.82 0.52 -1.26 -1.70 118.94 123.58 3mkq s TRP 400 Ca -0.04 1.57 -0.08 0.00 0.02 0.00 0.00 56.10 57.57 3mkq s TRP 400 Cb -0.05 -3.12 0.04 0.00 -1.15 0.00 0.00 33.47 29.20 3mkq s TRP 400 CO -0.04 -0.99 1.02 0.20 0.02 0.00 0.00 176.95 177.17 3mkq s GLY 401 N -1.92 1.64 0.59 0.98 0.00 0.43 -4.54 107.32 104.50 3mkq s GLY 401 Ca 0.68 -0.74 0.31 0.00 0.00 0.00 0.00 44.72 44.97 3mkq s GLY 401 CO 0.21 -0.36 2.25 -2.55 0.00 0.00 0.00 173.10 172.66 3mkq h PRO 402 N -0.57 0.00 -0.53 2.90 0.11 -1.85 -3.04 132.00 129.02 3mkq h PRO 402 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mkq h PRO 402 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3mkq h PRO 402 CO 0.62 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3mkq n ASP 403 N -3.78 2.71 -0.72 -2.05 3.85 -1.26 -4.86 116.55 110.44 3mkq n ASP 403 Ca -0.03 -2.17 -0.08 0.00 -0.71 0.00 0.00 54.79 51.81 3mkq n ASP 403 Cb 0.09 -0.38 -0.03 0.00 -1.35 0.00 0.00 41.12 39.45 3mkq n ASP 403 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mkq n SER 404 N 0.62 -4.45 -2.17 -1.12 7.64 -1.15 -4.73 113.62 108.25 3mkq n SER 404 Ca 0.15 0.20 0.02 0.00 1.01 0.00 0.00 58.87 60.24 3mkq n SER 404 Cb 0.49 -3.34 0.04 0.00 -1.01 0.00 0.00 64.21 60.39 3mkq n SER 404 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3mkq n ASN 405 N -0.46 1.24 -3.55 6.43 4.05 -1.26 -4.91 115.26 116.79 3mkq n ASN 405 Ca -0.08 -2.01 -0.10 0.00 0.45 0.00 0.00 54.58 52.84 3mkq n ASN 405 Cb 0.46 -0.37 -0.04 0.00 1.23 0.00 0.00 39.78 41.05 3mkq n ASN 405 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3mkq s SER 406 N -2.88 -0.38 0.23 1.20 1.04 -1.26 -0.15 113.70 111.49 3mkq s SER 406 Ca 0.30 0.29 -0.19 0.00 0.48 0.00 0.00 55.95 56.83 3mkq s SER 406 Cb 0.35 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3mkq s SER 406 CO -0.10 -0.44 0.61 -0.72 0.98 0.00 0.00 173.24 173.56 3mkq s TYR 407 N -1.75 -0.17 0.02 5.02 -0.85 -0.51 0.16 117.35 119.27 3mkq s TYR 407 Ca -0.00 -0.20 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 3mkq s TYR 407 Cb -0.01 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 3mkq s TYR 407 CO -0.01 -1.03 -0.24 0.00 -1.52 0.00 0.00 175.55 172.74 3mkq s ALA 408 N -3.88 2.30 0.22 9.51 0.00 -0.69 -0.39 121.76 128.83 3mkq s ALA 408 Ca 0.10 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3mkq s ALA 408 Cb -0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3mkq s ALA 408 CO 0.00 0.54 0.03 -0.51 0.00 0.00 0.00 175.76 175.83 3mkq s LEU 409 N -1.08 1.98 -0.35 0.00 1.02 0.12 -2.30 118.68 118.06 3mkq s LEU 409 Ca 0.12 -1.26 0.03 0.00 0.02 0.00 0.00 54.13 53.05 3mkq s LEU 409 Cb -0.10 -0.08 0.10 0.00 0.02 0.00 0.00 46.19 46.13 3mkq s LEU 409 CO 0.02 -0.61 0.08 -0.63 0.02 0.00 0.00 176.35 175.22 3mkq s ILE 410 N -3.63 2.14 0.00 -0.59 1.01 -1.03 -0.77 121.20 118.33 3mkq s ILE 410 Ca 0.30 -2.33 0.00 0.00 0.00 0.00 0.00 60.65 58.61 3mkq s ILE 410 Cb 0.07 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3mkq s ILE 410 CO 0.08 -0.63 0.00 -0.90 0.00 0.00 0.00 174.94 173.49 3mkq n ASP 411 N 4.20 -0.96 0.14 3.58 5.68 0.50 0.67 116.55 130.37 3mkq n ASP 411 Ca 0.03 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.45 3mkq n ASP 411 Cb 0.41 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.64 3mkq n ASP 411 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3mkq h GLU 412 N 0.00 0.00 -0.20 0.11 9.09 -1.89 -3.08 114.58 118.61 3mkq h GLU 412 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3mkq h GLU 412 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3mkq h GLU 412 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 3mkq n THR 413 N -2.60 0.26 -1.32 -1.06 -2.24 -1.26 -4.89 114.28 101.18 3mkq n THR 413 Ca 0.04 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3mkq n THR 413 Cb 0.48 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 3mkq n THR 413 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mkq n GLY 414 N 0.99 0.52 3.63 3.38 0.00 -1.16 -5.05 105.19 107.50 3mkq n GLY 414 Ca 0.12 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3mkq n GLY 414 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mkq s GLN 415 N -2.70 2.38 -0.08 1.61 -0.21 -1.26 -4.67 119.66 114.72 3mkq s GLN 415 Ca 0.00 -0.90 -0.25 0.00 0.02 0.00 0.00 55.36 54.23 3mkq s GLN 415 Cb 0.00 -2.44 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 3mkq s GLN 415 CO 0.00 0.54 0.78 0.42 -2.12 0.00 0.00 175.29 174.90 3mkq s ILE 416 N -1.23 4.98 -0.02 1.08 1.01 -1.25 -0.37 121.20 125.40 3mkq s ILE 416 Ca 0.23 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.49 3mkq s ILE 416 Cb -0.11 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 3mkq s ILE 416 CO 0.15 0.18 -0.10 -0.54 0.00 0.00 0.00 174.94 174.63 3mkq s LYS 417 N 1.19 0.99 -0.04 2.79 1.02 0.05 -4.74 119.74 121.00 3mkq s LYS 417 Ca 0.40 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.97 3mkq s LYS 417 Cb -0.18 -0.93 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 3mkq s LYS 417 CO 0.18 0.15 0.22 -0.47 -0.92 0.00 0.00 175.35 174.52 3mkq s TYR 418 N 0.06 3.59 -0.02 3.18 6.04 -1.26 -0.71 117.35 128.23 3mkq s TYR 418 Ca -0.01 0.55 0.03 0.00 0.04 0.00 0.00 57.07 57.69 3mkq s TYR 418 Cb -0.07 -1.97 -0.00 0.00 -1.04 0.00 0.00 41.96 38.87 3mkq s TYR 418 CO 0.00 0.66 -0.11 0.71 -1.54 0.00 0.00 175.55 175.28 3mkq s TYR 419 N -1.19 1.08 -0.08 4.97 2.02 0.48 -2.52 117.35 122.11 3mkq s TYR 419 Ca 0.23 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 3mkq s TYR 419 Cb -0.13 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 3mkq s TYR 419 CO 0.12 -0.07 -0.17 0.21 -1.57 0.00 0.00 175.55 174.07 3mkq s LYS 420 N -0.01 2.23 -1.62 -0.62 2.47 0.48 -1.43 119.74 121.23 3mkq s LYS 420 Ca -0.00 -0.60 -0.15 0.00 -1.56 0.00 0.00 55.97 53.65 3mkq s LYS 420 Cb -0.07 -1.76 0.12 0.00 -1.46 0.00 0.00 37.83 34.66 3mkq s LYS 420 CO 0.00 0.10 0.81 -1.71 0.16 0.00 0.00 175.35 174.71 3mkq n ASN 421 N 3.66 -3.42 -0.25 1.43 4.05 0.78 0.41 115.26 121.93 3mkq n ASN 421 Ca -0.21 -0.94 -0.03 0.00 0.45 0.00 0.00 54.58 53.84 3mkq n ASN 421 Cb 0.52 -3.13 -0.01 0.00 1.23 0.00 0.00 39.78 38.39 3mkq n ASN 421 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3mkq n PHE 422 N -4.47 0.00 -4.80 1.20 3.72 -1.26 -4.99 117.46 106.85 3mkq n PHE 422 Ca 0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 3mkq n PHE 422 Cb 0.52 -1.36 -0.17 0.00 -0.94 0.00 0.00 39.48 37.54 3mkq n PHE 422 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3mkq s LYS 423 N -1.61 2.49 -0.23 -1.08 1.02 0.17 -5.09 119.74 115.40 3mkq s LYS 423 Ca 0.00 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 3mkq s LYS 423 Cb 0.00 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 3mkq s LYS 423 CO 0.00 0.06 1.98 -2.00 -0.92 0.00 0.00 175.35 174.47 3mkq s GLU 424 N 0.64 3.37 -0.98 1.68 2.12 -1.26 -0.38 118.70 123.89 3mkq s GLU 424 Ca -0.13 1.84 -0.21 0.00 0.36 0.00 0.00 54.97 56.83 3mkq s GLU 424 Cb -0.16 -4.25 0.09 0.00 0.26 0.00 0.00 34.13 30.06 3mkq s GLU 424 CO 0.04 -1.82 1.30 0.54 -0.54 0.00 0.00 175.26 174.77 3mkq s VAL 425 N 7.10 4.34 0.59 3.70 0.11 -1.05 -4.84 120.40 130.35 3mkq s VAL 425 Ca 0.89 -1.21 0.29 0.00 -2.93 0.00 0.00 61.98 59.02 3mkq s VAL 425 Cb -0.29 -4.92 0.36 0.00 -1.53 0.00 0.00 36.38 30.00 3mkq s VAL 425 CO 0.34 -1.72 2.09 0.71 -3.33 0.00 0.00 175.10 173.19 3mkq h THR 426 N 6.27 0.43 0.00 5.04 1.35 -1.91 -1.49 112.91 122.60 3mkq h THR 426 Ca 0.19 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.99 3mkq h THR 426 Cb 1.01 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3mkq h THR 426 CO 1.27 0.00 -0.25 0.77 -0.25 0.00 0.00 175.52 177.05 3mkq h SER 427 N 0.00 0.00 -4.15 5.36 4.64 -1.98 -3.44 113.55 113.99 3mkq h SER 427 Ca 0.09 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.91 3mkq h SER 427 Cb 0.53 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.68 3mkq h SER 427 CO -0.00 0.25 0.39 0.86 -0.87 0.00 0.00 176.83 177.46 3mkq s TRP 428 N -3.71 2.81 -0.13 4.77 -0.00 -0.56 -5.05 118.94 117.07 3mkq s TRP 428 Ca -0.00 1.54 -0.33 0.00 -0.00 0.00 0.00 56.10 57.31 3mkq s TRP 428 Cb 0.11 -3.13 0.13 0.00 -0.00 0.00 0.00 33.47 30.57 3mkq s TRP 428 CO 0.64 -1.33 1.11 0.45 -0.00 0.00 0.00 176.95 177.83 3mkq s SER 429 N -2.33 -0.20 -0.02 5.86 0.15 -1.26 -4.88 113.70 111.02 3mkq s SER 429 Ca 0.67 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.32 3mkq s SER 429 Cb -0.19 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.35 3mkq s SER 429 CO 0.32 -0.35 0.00 -0.69 1.20 0.00 0.00 173.24 173.72 3mkq s VAL 430 N -2.63 0.10 -0.90 4.45 1.01 -1.26 -4.38 120.40 116.79 3mkq s VAL 430 Ca 0.08 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3mkq s VAL 430 Cb -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.25 3mkq s VAL 430 CO -0.06 0.09 1.41 -2.16 0.00 0.00 0.00 175.10 174.38 3mkq s PRO 431 N 0.60 3.38 -0.20 2.72 0.04 -1.26 -4.97 135.00 135.30 3mkq s PRO 431 Ca -0.05 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.27 3mkq s PRO 431 Cb -0.08 -4.87 0.05 0.00 0.04 0.00 0.00 34.50 29.63 3mkq s PRO 431 CO -0.01 -2.23 -0.07 -1.64 0.04 0.00 0.00 177.00 173.08 3mkq s MET 432 N 5.38 1.69 0.16 4.56 -1.94 -1.26 -4.98 119.30 122.92 3mkq s MET 432 Ca 0.43 -0.79 0.25 0.00 -1.71 0.00 0.00 55.69 53.87 3mkq s MET 432 Cb -0.04 -2.35 0.58 0.00 2.01 0.00 0.00 34.83 35.03 3mkq s MET 432 CO 0.01 -0.49 1.55 0.72 -0.01 0.00 0.00 175.02 176.79 3mkq n HIS 433 N 4.74 0.73 -4.06 -0.03 8.25 -1.26 -4.91 115.22 118.69 3mkq n HIS 433 Ca -0.13 0.21 -0.27 0.00 -0.26 0.00 0.00 57.72 57.28 3mkq n HIS 433 Cb 0.46 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.75 3mkq n HIS 433 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mkq s SER 434 N -4.35 4.53 0.30 0.41 0.01 -1.26 -5.11 113.70 108.23 3mkq s SER 434 Ca 0.08 -1.27 -0.29 0.00 1.31 0.00 0.00 55.95 55.79 3mkq s SER 434 Cb 0.13 0.25 -0.09 0.00 0.21 0.00 0.00 66.02 66.52 3mkq s SER 434 CO 0.66 -0.95 1.09 0.00 0.41 0.00 0.00 173.24 174.45 3mkq s ALA 435 N -2.75 3.36 -0.28 1.44 0.00 -1.26 -5.01 121.76 117.26 3mkq s ALA 435 Ca 0.31 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 3mkq s ALA 435 Cb -0.01 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3mkq s ALA 435 CO 0.18 -0.17 0.61 0.42 0.00 0.00 0.00 175.76 176.81 3mkq s ILE 436 N -1.22 4.97 -0.06 0.00 -1.09 -1.26 -4.50 121.20 118.03 3mkq s ILE 436 Ca 0.46 0.94 -0.23 0.00 -2.23 0.00 0.00 60.65 59.60 3mkq s ILE 436 Cb -0.31 -3.96 -0.31 0.00 -1.58 0.00 0.00 42.46 36.31 3mkq s ILE 436 CO 0.39 -0.06 0.87 0.44 -1.23 0.00 0.00 174.94 175.35 3mkq h ASP 437 N 8.08 0.41 -5.17 3.58 3.32 -1.51 -3.50 116.42 121.63 3mkq h ASP 437 Ca -0.27 -0.96 0.22 0.00 0.02 0.00 0.00 57.03 56.04 3mkq h ASP 437 Cb 1.12 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 40.42 3mkq h ASP 437 CO 0.78 1.36 0.63 0.00 -1.72 0.00 0.00 179.24 180.29 3mkq s ARG 438 N -2.40 0.77 0.36 3.56 1.70 -1.26 -5.00 118.95 116.67 3mkq s ARG 438 Ca -0.14 -0.39 0.08 0.00 -0.47 0.00 0.00 55.73 54.81 3mkq s ARG 438 Cb 0.01 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 3mkq s ARG 438 CO 0.81 -0.35 0.25 -0.51 -1.08 0.00 0.00 175.30 174.42 3mkq s LEU 439 N -2.76 3.41 -0.02 -1.89 1.43 -1.26 -1.05 118.68 116.54 3mkq s LEU 439 Ca 0.11 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3mkq s LEU 439 Cb 0.01 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3mkq s LEU 439 CO -0.03 -0.40 -0.03 -0.36 0.23 0.00 0.00 176.35 175.77 3mkq s PHE 440 N -2.39 0.46 0.91 0.29 0.08 0.82 -4.92 117.98 113.22 3mkq s PHE 440 Ca 0.41 -0.08 -0.13 0.00 0.12 0.00 0.00 56.93 57.25 3mkq s PHE 440 Cb -0.04 -0.43 0.14 0.00 -0.57 0.00 0.00 43.02 42.13 3mkq s PHE 440 CO 0.25 -0.10 1.16 0.45 -0.10 0.00 0.00 175.22 176.87 3mkq s SER 441 N 0.61 3.55 0.00 1.36 0.15 -1.26 -1.25 113.70 116.86 3mkq s SER 441 Ca -0.07 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.46 3mkq s SER 441 Cb -0.10 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3mkq s SER 441 CO -0.01 -2.52 0.00 0.61 1.20 0.00 0.00 173.24 172.53 3mkq n GLY 442 N -2.45 0.99 0.21 9.45 0.00 -1.26 -4.68 105.19 107.45 3mkq n GLY 442 Ca 0.08 -1.94 0.15 0.00 0.00 0.00 0.00 46.02 44.31 3mkq n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mkq h ALA 443 N 0.00 1.00 -2.98 4.61 0.00 -1.92 -3.41 119.26 116.55 3mkq h ALA 443 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3mkq h ALA 443 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 3mkq h ALA 443 CO 0.00 0.00 -0.73 -0.51 0.00 0.00 0.00 179.25 178.01 3mkq s LEU 444 N -5.32 2.31 -0.12 0.00 1.43 -1.26 -4.76 118.68 110.96 3mkq s LEU 444 Ca 0.01 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.17 3mkq s LEU 444 Cb 0.09 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.12 3mkq s LEU 444 CO 0.43 -0.25 1.23 -0.22 0.23 0.00 0.00 176.35 177.77 3mkq s LEU 445 N -1.90 4.22 -0.04 1.79 2.96 -0.51 -4.78 118.68 120.42 3mkq s LEU 445 Ca -0.05 1.73 -0.13 0.00 -0.22 0.00 0.00 54.13 55.46 3mkq s LEU 445 Cb -0.07 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 3mkq s LEU 445 CO -0.01 -0.68 0.33 -0.83 -1.32 0.00 0.00 176.35 173.84 3mkq s GLY 446 N 1.74 2.38 -0.04 7.98 0.00 -0.38 -0.99 107.32 118.02 3mkq s GLY 446 Ca 0.55 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.94 3mkq s GLY 446 CO 0.17 0.04 -0.03 0.14 0.00 0.00 0.00 173.10 173.42 3mkq s VAL 447 N -0.95 0.38 -0.14 1.40 1.01 0.66 -0.13 120.40 122.64 3mkq s VAL 447 Ca 0.21 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 3mkq s VAL 447 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3mkq s VAL 447 CO 0.10 0.19 0.38 -0.75 0.00 0.00 0.00 175.10 175.02 3mkq s LYS 448 N 0.90 4.30 -0.29 2.72 2.36 -0.22 0.41 119.74 129.93 3mkq s LYS 448 Ca -0.11 0.26 -0.15 0.00 -2.55 0.00 0.00 55.97 53.43 3mkq s LYS 448 Cb -0.14 -3.43 0.12 0.00 -1.05 0.00 0.00 37.83 33.33 3mkq s LYS 448 CO -0.01 0.19 0.80 0.45 1.55 0.00 0.00 175.35 178.34 3mkq s SER 449 N 0.56 -0.82 -1.26 1.43 0.15 -0.08 -1.10 113.70 112.58 3mkq s SER 449 Ca 0.21 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 57.96 3mkq s SER 449 Cb -0.14 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 3mkq s SER 449 CO 0.07 -0.19 0.61 0.47 1.20 0.00 0.00 173.24 175.40 3mkq n ASP 450 N 4.44 -3.06 -2.39 5.45 8.00 -1.26 -0.87 116.55 126.86 3mkq n ASP 450 Ca -0.17 -1.06 -0.19 0.00 0.71 0.00 0.00 54.79 54.08 3mkq n ASP 450 Cb 0.56 -2.96 -0.01 0.00 -0.02 0.00 0.00 41.12 38.69 3mkq n ASP 450 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mkq n GLY 451 N -1.88 -0.43 3.16 0.44 0.00 -1.26 -4.97 105.19 100.25 3mkq n GLY 451 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3mkq n GLY 451 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mkq s PHE 452 N -2.93 0.94 -0.16 1.61 2.99 -0.05 -3.47 117.98 116.92 3mkq s PHE 452 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 56.93 56.16 3mkq s PHE 452 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 43.02 42.51 3mkq s PHE 452 CO 0.00 -0.08 -0.17 0.08 -0.00 0.00 0.00 175.22 175.05 3mkq s VAL 453 N -3.02 1.78 -0.12 -0.44 1.01 -0.76 -0.90 120.40 117.95 3mkq s VAL 453 Ca 0.08 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 3mkq s VAL 453 Cb 0.01 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3mkq s VAL 453 CO -0.02 0.49 0.09 -0.31 0.00 0.00 0.00 175.10 175.35 3mkq s TYR 454 N 1.35 3.41 -0.13 5.22 1.51 0.17 -0.90 117.35 127.98 3mkq s TYR 454 Ca 0.04 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.45 3mkq s TYR 454 Cb -0.13 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3mkq s TYR 454 CO -0.11 0.55 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.68 3mkq s PHE 455 N -0.70 2.80 0.28 2.71 0.40 -0.39 -0.24 117.98 122.83 3mkq s PHE 455 Ca 0.12 -0.67 0.09 0.00 -0.60 0.00 0.00 56.93 55.88 3mkq s PHE 455 Cb -0.12 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 3mkq s PHE 455 CO 0.03 -0.22 -0.12 -0.06 0.70 0.00 0.00 175.22 175.54 3mkq s PHE 456 N 0.36 2.09 -0.27 0.36 0.40 -0.16 -0.71 117.98 120.04 3mkq s PHE 456 Ca -0.11 -0.53 -0.24 0.00 -0.60 0.00 0.00 56.93 55.45 3mkq s PHE 456 Cb -0.16 -1.07 -0.00 0.00 0.51 0.00 0.00 43.02 42.30 3mkq s PHE 456 CO 0.06 0.49 0.83 0.34 0.70 0.00 0.00 175.22 177.63 3mkq s ASP 457 N -3.47 6.77 0.28 1.36 2.15 0.02 -1.43 116.67 122.35 3mkq s ASP 457 Ca 0.29 0.88 0.01 0.00 0.43 0.00 0.00 52.55 54.16 3mkq s ASP 457 Cb 0.00 -2.43 0.60 0.00 -0.30 0.00 0.00 42.92 40.79 3mkq s ASP 457 CO 0.13 -0.59 1.75 -0.50 -0.17 0.00 0.00 175.17 175.79 3mkq h TRP 458 N 7.89 0.81 -0.59 -5.34 4.06 -1.91 1.46 115.95 122.33 3mkq h TRP 458 Ca -0.23 0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.69 3mkq h TRP 458 Cb 1.09 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 3mkq h TRP 458 CO 0.77 0.16 0.13 -0.44 -3.56 0.00 0.00 178.44 175.50 3mkq h ASP 459 N 0.62 0.86 0.00 -3.49 3.32 -1.98 -3.37 116.42 112.38 3mkq h ASP 459 Ca 0.50 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3mkq h ASP 459 Cb 0.77 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3mkq h ASP 459 CO -0.39 0.84 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 3mkq n ASN 460 N -4.26 0.26 -1.60 6.45 0.23 -0.98 -5.03 115.26 110.34 3mkq n ASN 460 Ca 0.04 -1.04 -0.14 0.00 -0.53 0.00 0.00 54.58 52.91 3mkq n ASN 460 Cb 0.24 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3mkq n ASN 460 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mkq n GLY 461 N -0.02 -0.18 3.74 4.83 0.00 0.50 -4.61 105.19 109.44 3mkq n GLY 461 Ca 0.00 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3mkq n GLY 461 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mkq s THR 462 N -2.71 4.23 -0.27 2.61 2.01 -1.24 -4.65 115.64 115.62 3mkq s THR 462 Ca 0.02 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 3mkq s THR 462 Cb -0.01 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 3mkq s THR 462 CO 0.03 0.40 1.58 -0.22 -0.69 0.00 0.00 174.62 175.73 3mkq s LEU 463 N -0.63 3.79 -0.18 4.42 0.20 -1.26 -0.80 118.68 124.22 3mkq s LEU 463 Ca 0.44 1.42 -0.19 0.00 0.69 0.00 0.00 54.13 56.49 3mkq s LEU 463 Cb -0.25 -3.53 -0.22 0.00 -0.43 0.00 0.00 46.19 41.76 3mkq s LEU 463 CO 0.31 -1.33 0.31 0.58 -0.29 0.00 0.00 176.35 175.94 3mkq h VAL 464 N 6.27 0.94 -2.44 1.68 2.07 -1.26 -3.42 116.25 120.09 3mkq h VAL 464 Ca -0.32 -2.24 0.10 0.00 0.82 0.00 0.00 66.70 65.06 3mkq h VAL 464 Cb 1.14 2.40 -0.13 0.00 -1.52 0.00 0.00 31.29 33.18 3mkq h VAL 464 CO 1.02 0.47 0.44 -0.60 0.02 0.00 0.00 177.57 178.91 3mkq s ARG 465 N -2.40 1.01 -0.14 1.57 3.00 -1.18 0.22 118.95 121.03 3mkq s ARG 465 Ca -0.26 -0.43 0.00 0.00 -1.00 0.00 0.00 55.73 54.04 3mkq s ARG 465 Cb 0.05 0.43 0.03 0.00 0.00 0.00 0.00 34.95 35.46 3mkq s ARG 465 CO 0.65 -0.45 -0.10 0.50 0.00 0.00 0.00 175.30 175.90 3mkq s ARG 466 N -3.29 1.89 -0.20 5.12 3.52 -1.00 -1.27 118.95 123.73 3mkq s ARG 466 Ca 0.06 -0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 55.05 3mkq s ARG 466 Cb -0.01 -1.95 -0.05 0.00 -1.56 0.00 0.00 34.95 31.38 3mkq s ARG 466 CO -0.07 -0.29 0.25 0.42 -0.81 0.00 0.00 175.30 174.80 3mkq s ILE 467 N 1.57 5.31 -1.41 4.11 -1.09 -0.08 -4.96 121.20 124.65 3mkq s ILE 467 Ca 0.04 0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 58.78 3mkq s ILE 467 Cb -0.13 -3.59 0.07 0.00 -1.58 0.00 0.00 42.46 37.22 3mkq s ILE 467 CO -0.09 0.35 2.24 0.47 -1.23 0.00 0.00 174.94 176.68 3mkq n ASP 468 N 3.97 5.45 -3.77 3.58 9.92 -1.26 -1.82 116.55 132.63 3mkq n ASP 468 Ca -0.13 -2.92 -0.15 0.00 -0.53 0.00 0.00 54.79 51.07 3mkq n ASP 468 Cb 0.52 -1.55 -0.16 0.00 -0.64 0.00 0.00 41.12 39.29 3mkq n ASP 468 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mkq s VAL 469 N 1.64 -0.06 -1.18 2.53 1.01 -1.25 -5.03 120.40 118.07 3mkq s VAL 469 Ca 0.49 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 3mkq s VAL 469 Cb 0.14 -0.11 0.09 0.00 0.00 0.00 0.00 36.38 36.50 3mkq s VAL 469 CO -0.05 0.09 1.56 0.21 0.00 0.00 0.00 175.10 176.90 3mkq s ASN 470 N 1.09 6.77 0.19 3.32 2.47 -1.23 -3.92 114.94 123.63 3mkq s ASN 470 Ca -0.09 -2.23 -0.30 0.00 0.42 0.00 0.00 52.86 50.66 3mkq s ASN 470 Cb -0.13 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 37.06 3mkq s ASN 470 CO -0.03 -1.18 1.06 0.00 -3.72 0.00 0.00 177.10 173.22 3mkq s ALA 471 N 3.87 3.35 0.01 1.71 0.00 -1.26 -2.15 121.76 127.29 3mkq s ALA 471 Ca 0.48 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 3mkq s ALA 471 Cb 0.01 -3.32 -0.32 0.00 0.00 0.00 0.00 23.12 19.49 3mkq s ALA 471 CO 0.00 -0.13 0.91 -0.22 0.00 0.00 0.00 175.76 176.32 3mkq h LYS 472 N 4.92 0.42 -2.18 0.00 3.64 -0.63 -3.45 116.57 119.29 3mkq h LYS 472 Ca -0.44 -0.72 0.01 0.00 -1.27 0.00 0.00 60.65 58.23 3mkq h LYS 472 Cb 1.21 0.27 -0.18 0.00 -0.41 0.00 0.00 32.23 33.12 3mkq h LYS 472 CO 0.71 1.33 0.33 0.34 -2.27 0.00 0.00 179.45 179.89 3mkq s ASP 473 N -7.36 -0.52 -0.09 4.20 2.15 -1.12 -5.02 116.67 108.91 3mkq s ASP 473 Ca -0.10 0.36 0.04 0.00 0.43 0.00 0.00 52.55 53.28 3mkq s ASP 473 Cb 0.05 0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 43.15 3mkq s ASP 473 CO 0.90 -0.63 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.34 3mkq s VAL 474 N -2.08 1.98 -0.11 1.11 1.01 -1.26 -0.20 120.40 120.85 3mkq s VAL 474 Ca -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3mkq s VAL 474 Cb -0.00 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3mkq s VAL 474 CO -0.00 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 174.96 3mkq s ILE 475 N 0.29 0.83 0.09 2.22 1.01 -0.43 -4.82 121.20 120.39 3mkq s ILE 475 Ca -0.16 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 3mkq s ILE 475 Cb -0.17 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 3mkq s ILE 475 CO 0.08 0.31 0.35 0.26 0.00 0.00 0.00 174.94 175.93 3mkq s TRP 476 N 1.79 3.54 0.99 3.97 0.52 -1.26 -0.80 118.94 127.68 3mkq s TRP 476 Ca 0.05 0.62 -0.12 0.00 0.02 0.00 0.00 56.10 56.66 3mkq s TRP 476 Cb -0.13 -2.04 0.19 0.00 -1.15 0.00 0.00 33.47 30.34 3mkq s TRP 476 CO -0.07 0.51 1.10 -1.54 0.02 0.00 0.00 176.95 176.97 3mkq s SER 477 N -2.04 2.68 0.34 2.95 1.04 0.49 -4.72 113.70 114.43 3mkq s SER 477 Ca 0.35 1.14 0.09 0.00 0.48 0.00 0.00 55.95 58.00 3mkq s SER 477 Cb -0.13 -1.79 0.61 0.00 0.10 0.00 0.00 66.02 64.81 3mkq s SER 477 CO 0.21 -3.09 1.80 -0.78 0.98 0.00 0.00 173.24 172.35 3mkq h ASP 478 N -1.86 0.20 1.44 7.02 3.58 -1.86 -2.91 116.42 122.02 3mkq h ASP 478 Ca -0.54 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 56.84 3mkq h ASP 478 Cb 1.33 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3mkq h ASP 478 CO 0.58 0.51 -0.29 -0.55 -2.88 0.00 0.00 179.24 176.61 3mkq h ASN 479 N 0.18 0.00 0.00 2.28 -1.07 -1.93 -3.48 115.58 111.56 3mkq h ASN 479 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.35 3mkq h ASN 479 Cb 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 3mkq h ASN 479 CO 0.05 0.02 0.00 0.61 0.07 0.00 0.00 177.43 178.18 3mkq n GLY 480 N 1.23 0.64 0.04 9.14 0.00 -1.10 -4.94 105.19 110.20 3mkq n GLY 480 Ca 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.69 3mkq n GLY 480 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mkq n GLU 481 N -2.63 0.86 -4.63 1.61 1.02 -1.26 -4.78 120.64 110.83 3mkq n GLU 481 Ca 0.00 -0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 56.72 3mkq n GLU 481 Cb 0.00 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 29.87 3mkq n GLU 481 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mkq s LEU 482 N -4.69 2.91 0.01 -4.62 1.02 -1.26 0.37 118.68 112.42 3mkq s LEU 482 Ca -0.07 -0.23 -0.02 0.00 0.02 0.00 0.00 54.13 53.83 3mkq s LEU 482 Cb 0.09 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 3mkq s LEU 482 CO 0.72 0.30 0.02 -0.69 0.02 0.00 0.00 176.35 176.72 3mkq s VAL 483 N -0.90 0.10 -0.19 -1.59 1.01 -0.93 -0.38 120.40 117.51 3mkq s VAL 483 Ca 0.15 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3mkq s VAL 483 Cb -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3mkq s VAL 483 CO 0.05 -0.44 -0.14 -0.32 0.00 0.00 0.00 175.10 174.25 3mkq s MET 484 N -1.35 2.41 -0.52 2.72 1.75 0.02 -1.58 119.30 122.75 3mkq s MET 484 Ca -0.15 -0.86 -0.17 0.00 -1.25 0.00 0.00 55.69 53.27 3mkq s MET 484 Cb -0.09 -2.47 0.09 0.00 2.84 0.00 0.00 34.83 35.20 3mkq s MET 484 CO -0.00 -0.34 0.52 0.42 -0.65 0.00 0.00 175.02 174.96 3mkq s ILE 485 N 1.34 5.08 -0.16 10.11 -1.09 0.70 -1.31 121.20 135.87 3mkq s ILE 485 Ca 0.01 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.10 3mkq s ILE 485 Cb -0.15 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.45 3mkq s ILE 485 CO -0.10 -0.79 1.11 -0.69 -1.23 0.00 0.00 174.94 173.25 3mkq s VAL 486 N 2.02 4.54 0.49 2.92 1.01 0.72 -1.21 120.40 130.88 3mkq s VAL 486 Ca 0.07 1.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.76 3mkq s VAL 486 Cb -0.24 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 3mkq s VAL 486 CO 0.07 -0.10 0.92 0.21 0.00 0.00 0.00 175.10 176.20 3mkq s ASN 487 N 1.41 6.55 0.09 3.32 3.04 -0.80 0.02 114.94 128.57 3mkq s ASN 487 Ca 0.50 1.42 -0.13 0.00 0.04 0.00 0.00 52.86 54.68 3mkq s ASN 487 Cb -0.19 -2.45 -0.20 0.00 -1.54 0.00 0.00 41.25 36.88 3mkq s ASN 487 CO 0.14 -0.55 1.23 0.74 -3.04 0.00 0.00 177.10 175.61 3mkq h THR 488 N 0.86 1.28 -5.38 -5.21 2.02 -1.75 -3.40 112.91 101.33 3mkq h THR 488 Ca -0.47 -2.18 -0.26 0.00 0.77 0.00 0.00 66.41 64.27 3mkq h THR 488 Cb 1.19 2.27 0.01 0.00 -1.74 0.00 0.00 68.15 69.88 3mkq h THR 488 CO 0.62 0.68 -0.90 -3.20 0.37 0.00 0.00 175.52 173.09 3mkq n ASN 489 N -3.87 -4.21 -1.24 4.18 2.85 -1.26 -5.02 115.26 106.69 3mkq n ASN 489 Ca -0.10 -0.07 0.01 0.00 -0.11 0.00 0.00 54.58 54.31 3mkq n ASN 489 Cb 0.84 -1.19 0.12 0.00 1.24 0.00 0.00 39.78 40.79 3mkq n ASN 489 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3mkq n SER 490 N 0.29 1.95 0.00 1.20 3.41 -1.26 -5.10 113.62 114.11 3mkq n SER 490 Ca -0.06 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 3mkq n SER 490 Cb 0.50 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3mkq n SER 490 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mkq n GLU 494 N -0.56 0.00 -2.76 4.33 1.02 -1.26 -5.29 120.64 116.12 3mkq n GLU 494 Ca 0.18 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.94 3mkq n GLU 494 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.23 3mkq n GLU 494 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mkq s ALA 495 N -1.32 3.27 -0.34 0.62 0.00 -1.26 -4.94 121.76 117.79 3mkq s ALA 495 Ca 0.00 0.58 0.27 0.00 0.00 0.00 0.00 51.96 52.81 3mkq s ALA 495 Cb 0.00 -3.20 1.01 0.00 0.00 0.00 0.00 23.12 20.93 3mkq s ALA 495 CO 0.00 0.18 1.80 0.66 0.00 0.00 0.00 175.76 178.40 3mkq h SER 496 N 3.61 0.00 -4.21 0.00 4.64 -1.68 -3.42 113.55 112.48 3mkq h SER 496 Ca -0.46 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.12 3mkq h SER 496 Cb 1.20 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.09 3mkq h SER 496 CO 0.66 0.00 0.83 -0.83 -0.87 0.00 0.00 176.83 176.62 3mkq s GLY 497 N -3.80 -0.28 -0.02 -0.77 0.00 -1.25 -1.91 107.32 99.29 3mkq s GLY 497 Ca 0.05 1.64 0.05 0.00 0.00 0.00 0.00 44.72 46.45 3mkq s GLY 497 CO 0.50 0.55 -0.15 -0.19 0.00 0.00 0.00 173.10 173.80 3mkq s TYR 498 N -2.37 1.38 -0.17 1.90 1.51 -0.35 -1.93 117.35 117.33 3mkq s TYR 498 Ca 0.10 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.81 3mkq s TYR 498 Cb -0.01 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 3mkq s TYR 498 CO -0.04 -0.04 0.04 0.99 -1.11 0.00 0.00 175.55 175.38 3mkq s THR 499 N -0.28 4.57 0.10 -0.71 2.01 0.61 -0.21 115.64 121.74 3mkq s THR 499 Ca 0.04 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.99 3mkq s THR 499 Cb -0.07 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3mkq s THR 499 CO -0.00 0.49 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.50 3mkq s LEU 500 N 0.21 2.34 -0.14 4.42 1.43 -0.61 -0.86 118.68 125.47 3mkq s LEU 500 Ca 0.03 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 3mkq s LEU 500 Cb -0.13 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 3mkq s LEU 500 CO 0.01 -0.09 -0.02 -0.22 0.23 0.00 0.00 176.35 176.26 3mkq s LEU 501 N -2.12 3.38 -0.25 1.79 2.96 0.95 -2.20 118.68 123.19 3mkq s LEU 501 Ca 0.05 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3mkq s LEU 501 Cb -0.07 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3mkq s LEU 501 CO 0.03 0.23 0.12 0.12 -1.32 0.00 0.00 176.35 175.53 3mkq s PHE 502 N 0.00 3.20 -0.64 5.38 5.36 0.16 -0.88 117.98 130.55 3mkq s PHE 502 Ca 0.02 -0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 3mkq s PHE 502 Cb -0.13 -2.26 0.17 0.00 -0.34 0.00 0.00 43.02 40.45 3mkq s PHE 502 CO 0.02 -0.14 0.54 1.21 -1.46 0.00 0.00 175.22 175.40 3mkq s ASN 503 N 1.36 6.06 0.20 6.13 3.04 0.14 -4.73 114.94 127.15 3mkq s ASN 503 Ca 0.06 -2.38 -0.11 0.00 0.04 0.00 0.00 52.86 50.47 3mkq s ASN 503 Cb -0.15 -2.08 0.15 0.00 -1.54 0.00 0.00 41.25 37.63 3mkq s ASN 503 CO 0.06 -0.61 1.86 0.50 -3.04 0.00 0.00 177.10 175.87 3mkq h LYS 504 N 7.97 0.87 0.00 0.43 3.64 -1.94 -2.01 116.57 125.52 3mkq h LYS 504 Ca -0.07 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3mkq h LYS 504 Cb 1.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3mkq h LYS 504 CO 0.82 0.57 -0.01 -0.44 -2.27 0.00 0.00 179.45 178.12 3mkq h ASP 505 N 0.89 0.00 0.03 4.20 3.32 -1.97 0.30 116.42 123.19 3mkq h ASP 505 Ca 0.26 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.04 3mkq h ASP 505 Cb -0.06 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.51 3mkq h ASP 505 CO -0.07 0.01 -1.06 0.00 -1.72 0.00 0.00 179.24 176.40 3mkq h ALA 506 N 1.99 0.08 0.12 3.45 0.00 -1.71 -1.90 119.26 121.29 3mkq h ALA 506 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 3mkq h ALA 506 Cb 0.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3mkq h ALA 506 CO 0.00 0.65 -0.06 -0.92 0.00 0.00 0.00 179.25 178.93 3mkq h TYR 507 N 0.32 -0.15 -0.66 0.00 3.20 -0.99 -1.87 116.97 116.81 3mkq h TYR 507 Ca -0.14 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.76 3mkq h TYR 507 Cb 1.73 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 40.00 3mkq h TYR 507 CO 0.11 0.13 0.40 -0.07 -1.64 0.00 0.00 178.16 177.09 3mkq h LEU 508 N -0.43 0.63 -1.21 2.82 3.38 -1.07 0.26 115.31 119.68 3mkq h LEU 508 Ca -0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3mkq h LEU 508 Cb 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3mkq h LEU 508 CO 0.03 0.43 0.54 -0.08 0.09 0.00 0.00 178.44 179.44 3mkq h GLU 509 N 0.76 1.03 -0.27 1.13 4.57 -1.30 0.10 114.58 120.60 3mkq h GLU 509 Ca 0.28 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 3mkq h GLU 509 Cb 0.08 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3mkq h GLU 509 CO -0.13 0.68 -0.46 0.00 -1.18 0.00 0.00 179.01 177.92 3mkq h ALA 510 N 1.51 0.42 0.00 2.92 0.00 -0.33 -2.34 119.26 121.44 3mkq h ALA 510 Ca 0.31 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3mkq h ALA 510 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3mkq h ALA 510 CO -0.08 0.57 -0.33 0.00 0.00 0.00 0.00 179.25 179.41 3mkq h ALA 511 N 0.66 1.42 -0.35 0.00 0.00 0.17 -1.92 119.26 119.24 3mkq h ALA 511 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3mkq h ALA 511 Cb 1.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3mkq h ALA 511 CO 0.10 0.41 -0.23 -0.97 0.00 0.00 0.00 179.25 178.56 3mkq h ASN 512 N 0.00 0.80 -0.03 0.00 -0.00 -0.64 -2.94 115.58 112.77 3mkq h ASN 512 Ca -0.00 -0.43 -0.08 0.00 -0.00 0.00 0.00 56.30 55.79 3mkq h ASN 512 Cb 0.59 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 3mkq h ASN 512 CO 0.04 1.06 -0.20 0.78 -0.00 0.00 0.00 177.43 179.11 3mkq h ASN 513 N 0.55 0.40 -0.01 1.15 -0.26 -1.03 -3.47 115.58 112.91 3mkq h ASN 513 Ca 0.07 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.69 3mkq h ASN 513 Cb 0.78 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.94 3mkq h ASN 513 CO 0.06 0.62 -0.00 0.61 -1.06 0.00 0.00 177.43 177.66 3mkq n GLY 514 N -0.54 0.37 0.94 2.83 0.00 -0.76 -4.97 105.19 103.06 3mkq n GLY 514 Ca -0.00 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.14 3mkq n GLY 514 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mkq n ASN 515 N 1.98 1.89 -4.71 1.61 6.94 -1.24 -5.05 115.26 116.68 3mkq n ASN 515 Ca -0.00 -3.53 -0.42 0.00 -0.02 0.00 0.00 54.58 50.61 3mkq n ASN 515 Cb 0.46 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 3mkq n ASN 515 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3mkq s ILE 516 N -2.83 3.91 -0.13 1.53 1.01 -1.26 -4.96 121.20 118.47 3mkq s ILE 516 Ca 0.38 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 3mkq s ILE 516 Cb 0.38 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3mkq s ILE 516 CO -0.08 0.09 1.73 -0.62 0.00 0.00 0.00 174.94 176.06 3mkq s ASP 517 N 1.18 6.40 0.00 3.58 -1.08 -1.25 -4.85 116.67 120.65 3mkq s ASP 517 Ca 0.60 1.99 0.13 0.00 -0.52 0.00 0.00 52.55 54.75 3mkq s ASP 517 Cb -0.30 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.43 3mkq s ASP 517 CO 0.28 -1.19 1.23 -0.90 0.52 0.00 0.00 175.17 175.12 3mkq n ASP 518 N 8.20 0.00 -0.11 -0.34 3.85 -1.26 -0.20 116.55 126.69 3mkq n ASP 518 Ca 0.19 -0.58 -0.17 0.00 -0.71 0.00 0.00 54.79 53.52 3mkq n ASP 518 Cb 0.44 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.12 3mkq n ASP 518 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 3mkq n SER 519 N -0.92 2.13 -0.03 -1.12 2.88 -1.26 -4.73 113.62 110.57 3mkq n SER 519 Ca 0.10 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3mkq n SER 519 Cb 0.05 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 3mkq n SER 519 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mkq n GLU 520 N -3.39 -0.22 0.00 -1.46 1.02 -1.20 -4.82 120.64 110.57 3mkq n GLU 520 Ca -0.39 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 3mkq n GLU 520 Cb 0.87 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 3mkq n GLU 520 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mkq n GLY 521 N -0.04 0.31 3.44 0.62 0.00 0.72 -2.38 105.19 107.85 3mkq n GLY 521 Ca 0.00 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 3mkq n GLY 521 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mkq s VAL 522 N 0.00 4.92 0.26 1.61 1.01 0.13 -3.78 120.40 124.55 3mkq s VAL 522 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3mkq s VAL 522 Cb 0.00 -4.28 0.23 0.00 0.00 0.00 0.00 36.38 32.34 3mkq s VAL 522 CO 0.00 -0.78 1.81 -0.78 0.00 0.00 0.00 175.10 175.35 3mkq h ASP 523 N 8.96 0.72 0.52 3.32 1.82 -1.86 -1.20 116.42 128.71 3mkq h ASP 523 Ca -0.28 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 3mkq h ASP 523 Cb 1.10 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.02 3mkq h ASP 523 CO 0.95 0.40 0.00 -1.84 -1.61 0.00 0.00 179.24 177.14 3mkq n GLU 524 N -4.72 0.19 0.27 0.28 0.00 -1.26 -3.29 120.64 112.11 3mkq n GLU 524 Ca 0.15 0.11 0.14 0.00 0.00 0.00 0.00 57.16 57.56 3mkq n GLU 524 Cb 0.31 -1.50 0.74 0.00 0.00 0.00 0.00 31.44 31.00 3mkq n GLU 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mkq h ALA 525 N 2.90 1.15 -3.50 -1.84 0.00 -1.49 -3.44 119.26 113.04 3mkq h ALA 525 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.45 3mkq h ALA 525 Cb 0.26 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.80 3mkq h ALA 525 CO 0.00 0.12 -0.77 -0.06 0.00 0.00 0.00 179.25 178.54 3mkq s PHE 526 N -4.01 0.98 -0.12 0.00 0.40 -1.21 -0.68 117.98 113.35 3mkq s PHE 526 Ca -0.02 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3mkq s PHE 526 Cb 0.12 -0.58 0.02 0.00 0.51 0.00 0.00 43.02 43.09 3mkq s PHE 526 CO 0.56 0.00 -0.16 -0.51 0.70 0.00 0.00 175.22 175.82 3mkq s ASP 527 N -1.32 2.54 -0.77 1.36 1.01 -0.06 -4.94 116.67 114.49 3mkq s ASP 527 Ca -0.03 -0.45 -0.26 0.00 0.71 0.00 0.00 52.55 52.52 3mkq s ASP 527 Cb -0.08 -1.14 0.04 0.00 1.01 0.00 0.00 42.92 42.75 3mkq s ASP 527 CO 0.01 0.01 1.25 -0.69 0.21 0.00 0.00 175.17 175.97 3mkq s VAL 528 N 1.03 3.85 0.00 -1.27 1.01 -1.26 -0.03 120.40 123.73 3mkq s VAL 528 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3mkq s VAL 528 Cb -0.15 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.33 3mkq s VAL 528 CO -0.03 -1.81 0.41 0.18 0.00 0.00 0.00 175.10 173.85 3mkq n LEU 529 N 9.02 0.74 -4.34 3.92 4.32 -0.04 -4.98 117.00 125.65 3mkq n LEU 529 Ca 0.06 0.43 -0.17 0.00 -0.02 0.00 0.00 56.01 56.31 3mkq n LEU 529 Cb 0.49 -0.07 -0.10 0.00 -1.62 0.00 0.00 43.42 42.11 3mkq n LEU 529 CO 0.69 -0.07 -0.26 -0.31 -1.22 0.00 0.00 177.39 176.22 3mkq s TYR 530 N -0.96 1.61 -0.16 -1.77 1.51 -1.14 -4.98 117.35 111.46 3mkq s TYR 530 Ca 0.00 -1.14 -0.03 0.00 -1.01 0.00 0.00 57.07 54.89 3mkq s TYR 530 Cb 0.00 -0.96 0.05 0.00 -0.11 0.00 0.00 41.96 40.94 3mkq s TYR 530 CO 0.00 -0.28 0.04 -1.83 -1.11 0.00 0.00 175.55 172.38 3mkq s GLU 531 N -4.01 0.49 1.03 -0.62 -1.05 -1.26 -0.28 118.70 112.99 3mkq s GLU 531 Ca 0.37 -0.22 -0.15 0.00 -0.15 0.00 0.00 54.97 54.83 3mkq s GLU 531 Cb 0.08 -1.79 0.20 0.00 -0.44 0.00 0.00 34.13 32.19 3mkq s GLU 531 CO 0.14 -0.58 1.14 -1.17 0.95 0.00 0.00 175.26 175.74 3mkq s LEU 532 N 1.95 1.57 0.00 1.83 0.20 -0.81 -4.96 118.68 118.46 3mkq s LEU 532 Ca 0.01 0.85 0.00 0.00 0.69 0.00 0.00 54.13 55.68 3mkq s LEU 532 Cb -0.16 -2.93 0.00 0.00 -0.43 0.00 0.00 46.19 42.67 3mkq s LEU 532 CO -0.08 -3.20 0.00 -1.54 -0.29 0.00 0.00 176.35 171.24 3mkq n SER 533 N -4.18 2.21 -4.77 3.68 3.41 -1.26 -2.80 113.62 109.91 3mkq n SER 533 Ca 0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 3mkq n SER 533 Cb 0.59 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.82 3mkq n SER 533 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3mkq s GLU 534 N -1.24 4.10 0.61 4.33 2.02 -1.26 -4.18 118.70 123.08 3mkq s GLU 534 Ca 0.00 1.86 -0.18 0.00 0.02 0.00 0.00 54.97 56.67 3mkq s GLU 534 Cb 0.00 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 3mkq s GLU 534 CO 0.00 -0.29 0.91 -1.13 0.02 0.00 0.00 175.26 174.77 3mkq n SER 535 N 0.16 0.51 -4.00 -0.19 3.41 -1.26 -4.70 113.62 107.56 3mkq n SER 535 Ca 0.04 0.78 -0.30 0.00 -0.26 0.00 0.00 58.87 59.13 3mkq n SER 535 Cb 0.46 -1.36 -0.16 0.00 -0.26 0.00 0.00 64.21 62.89 3mkq n SER 535 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3mkq s ILE 536 N -1.55 1.57 -0.20 -1.33 -1.09 -1.26 -4.24 121.20 113.10 3mkq s ILE 536 Ca 0.76 -0.84 0.15 0.00 -2.23 0.00 0.00 60.65 58.49 3mkq s ILE 536 Cb -0.41 -1.59 -0.21 0.00 -1.58 0.00 0.00 42.46 38.66 3mkq s ILE 536 CO 0.47 0.27 0.41 0.35 -1.23 0.00 0.00 174.94 175.21 3mkq n THR 537 N 4.73 0.00 -3.57 2.92 -2.24 -0.30 -4.93 114.28 110.89 3mkq n THR 537 Ca -0.15 -0.29 -0.05 0.00 -2.27 0.00 0.00 64.05 61.28 3mkq n THR 537 Cb 0.48 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 3mkq n THR 537 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mkq s SER 538 N -3.36 -0.20 -0.27 3.42 1.04 -1.24 -4.96 113.70 108.12 3mkq s SER 538 Ca -0.03 -0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.11 3mkq s SER 538 Cb 0.10 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.62 3mkq s SER 538 CO 0.62 -0.35 1.32 -0.83 0.98 0.00 0.00 173.24 174.98 3mkq s GLY 539 N -2.30 0.07 0.05 7.32 0.00 -1.26 -1.36 107.32 109.85 3mkq s GLY 539 Ca 0.08 2.81 0.03 0.00 0.00 0.00 0.00 44.72 47.65 3mkq s GLY 539 CO -0.06 1.19 -0.10 0.54 0.00 0.00 0.00 173.10 174.67 3mkq s LYS 540 N -0.91 0.65 0.00 2.90 3.01 -0.35 -4.98 119.74 120.05 3mkq s LYS 540 Ca 0.07 -0.76 -0.17 0.00 -1.01 0.00 0.00 55.97 54.11 3mkq s LYS 540 Cb -0.01 -0.53 -0.06 0.00 -1.01 0.00 0.00 37.83 36.22 3mkq s LYS 540 CO -0.08 0.11 0.46 -1.58 0.51 0.00 0.00 175.35 174.78 3mkq s TRP 541 N -1.18 3.72 -0.41 3.18 0.52 -1.26 -0.64 118.94 122.87 3mkq s TRP 541 Ca -0.05 1.06 0.01 0.00 0.02 0.00 0.00 56.10 57.14 3mkq s TRP 541 Cb -0.09 -2.39 0.13 0.00 -1.15 0.00 0.00 33.47 29.97 3mkq s TRP 541 CO 0.01 0.56 0.21 0.08 0.02 0.00 0.00 176.95 177.83 3mkq s VAL 542 N -0.83 1.19 0.00 4.03 1.01 0.11 -4.78 120.40 121.12 3mkq s VAL 542 Ca 0.25 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 59.97 3mkq s VAL 542 Cb -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3mkq s VAL 542 CO 0.14 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.99 3mkq n GLY 543 N 3.83 0.30 1.77 4.51 0.00 -1.26 -2.39 105.19 111.95 3mkq n GLY 543 Ca 0.07 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.37 3mkq n GLY 543 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mkq n ASP 544 N 6.30 5.21 -4.52 1.61 10.43 -1.26 -4.77 116.55 129.56 3mkq n ASP 544 Ca 0.00 -3.04 -0.34 0.00 2.57 0.00 0.00 54.79 53.98 3mkq n ASP 544 Cb 0.00 -0.68 -0.12 0.00 1.84 0.00 0.00 41.12 42.16 3mkq n ASP 544 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3mkq s VAL 545 N -2.85 3.87 -0.41 2.53 1.01 -1.00 -4.59 120.40 118.94 3mkq s VAL 545 Ca 0.53 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 3mkq s VAL 545 Cb 0.41 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 34.17 3mkq s VAL 545 CO 0.14 0.52 0.28 0.12 0.00 0.00 0.00 175.10 176.15 3mkq s PHE 546 N 0.12 3.27 -0.10 5.22 2.19 0.62 0.04 117.98 129.34 3mkq s PHE 546 Ca -0.01 -1.06 -0.23 0.00 0.33 0.00 0.00 56.93 55.96 3mkq s PHE 546 Cb -0.14 -2.76 -0.03 0.00 -1.31 0.00 0.00 43.02 38.78 3mkq s PHE 546 CO 0.03 -0.73 0.68 0.42 1.83 0.00 0.00 175.22 177.45 3mkq s ILE 547 N 1.56 5.04 0.01 3.12 -1.09 0.19 0.52 121.20 130.54 3mkq s ILE 547 Ca 0.03 1.39 -0.02 0.00 -2.23 0.00 0.00 60.65 59.82 3mkq s ILE 547 Cb -0.21 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 3mkq s ILE 547 CO 0.06 0.22 0.02 0.72 -1.23 0.00 0.00 174.94 174.73 3mkq s PHE 548 N 1.06 0.16 0.05 3.97 -0.12 0.81 -1.22 117.98 122.70 3mkq s PHE 548 Ca 0.35 -0.33 -0.13 0.00 -0.05 0.00 0.00 56.93 56.78 3mkq s PHE 548 Cb -0.17 -0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 42.04 3mkq s PHE 548 CO 0.16 -0.18 0.42 0.99 -0.05 0.00 0.00 175.22 176.56 3mkq s THR 549 N -1.19 5.03 0.26 -4.49 2.01 -0.46 -1.07 115.64 115.73 3mkq s THR 549 Ca -0.13 0.69 0.09 0.00 0.31 0.00 0.00 61.69 62.65 3mkq s THR 549 Cb -0.08 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3mkq s THR 549 CO -0.00 0.43 0.04 0.28 -0.69 0.00 0.00 174.62 174.68 3mkq s THR 550 N -1.25 3.66 0.33 -0.82 -1.32 0.80 -1.16 115.64 115.88 3mkq s THR 550 Ca 0.29 -1.80 0.38 0.00 -1.21 0.00 0.00 61.69 59.36 3mkq s THR 550 Cb -0.15 -2.97 0.42 0.00 -1.51 0.00 0.00 72.50 68.28 3mkq s THR 550 CO 0.16 -0.37 2.14 0.00 -2.21 0.00 0.00 174.62 174.35 3mkq h ALA 551 N 1.79 1.00 -0.47 11.08 0.00 -1.88 -1.12 119.26 129.66 3mkq h ALA 551 Ca -0.45 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3mkq h ALA 551 Cb 1.25 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3mkq h ALA 551 CO 0.60 0.00 0.16 0.25 0.00 0.00 0.00 179.25 180.27 3mkq n THR 552 N -3.09 2.02 -3.49 0.00 -2.24 -1.26 -4.88 114.28 101.34 3mkq n THR 552 Ca -0.01 -1.03 -0.25 0.00 -2.27 0.00 0.00 64.05 60.50 3mkq n THR 552 Cb 0.21 -0.48 0.05 0.00 -2.10 0.00 0.00 70.33 68.02 3mkq n THR 552 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mkq n ASN 553 N 0.03 -5.88 -4.63 3.42 5.03 -0.42 -4.82 115.26 107.99 3mkq n ASN 553 Ca 0.26 -0.51 -0.30 0.00 0.87 0.00 0.00 54.58 54.90 3mkq n ASN 553 Cb 1.01 -4.68 -0.09 0.00 -1.02 0.00 0.00 39.78 35.01 3mkq n ASN 553 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3mkq s ARG 554 N -6.20 2.31 -0.27 3.52 3.52 -1.23 -0.09 118.95 120.51 3mkq s ARG 554 Ca 0.52 -0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3mkq s ARG 554 Cb -0.24 -2.41 0.04 0.00 -1.56 0.00 0.00 34.95 30.78 3mkq s ARG 554 CO 0.64 0.52 -0.04 -1.17 -0.81 0.00 0.00 175.30 174.44 3mkq s LEU 555 N -2.27 3.45 0.45 -0.88 2.96 -0.34 -0.14 118.68 121.91 3mkq s LEU 555 Ca 0.23 -1.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.13 3mkq s LEU 555 Cb -0.11 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3mkq s LEU 555 CO 0.16 -0.18 0.09 0.20 -1.32 0.00 0.00 176.35 175.30 3mkq s ASN 556 N 1.28 3.29 -0.10 3.68 0.01 -0.24 0.56 114.94 123.43 3mkq s ASN 556 Ca -0.02 -1.70 -0.10 0.00 -0.71 0.00 0.00 52.86 50.33 3mkq s ASN 556 Cb -0.18 0.57 0.03 0.00 0.41 0.00 0.00 41.25 42.08 3mkq s ASN 556 CO -0.03 -0.94 0.28 -0.72 -1.51 0.00 0.00 177.10 174.18 3mkq s TYR 557 N -3.09 -0.30 -0.12 2.20 -0.85 -0.70 -0.13 117.35 114.35 3mkq s TYR 557 Ca 0.16 0.73 -0.01 0.00 -0.52 0.00 0.00 57.07 57.44 3mkq s TYR 557 Cb 0.02 0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.44 3mkq s TYR 557 CO 0.10 -0.15 -0.10 0.12 -1.52 0.00 0.00 175.55 174.00 3mkq s PHE 558 N 0.10 2.88 -0.11 -3.49 5.36 0.18 -1.83 117.98 121.08 3mkq s PHE 558 Ca -0.00 -0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 55.49 3mkq s PHE 558 Cb -0.02 -1.84 0.05 0.00 -0.34 0.00 0.00 43.02 40.87 3mkq s PHE 558 CO 0.00 -0.07 0.22 0.08 -1.46 0.00 0.00 175.22 173.99 3mkq s VAL 559 N 0.14 -0.27 -1.50 3.12 1.01 -0.35 -0.27 120.40 122.27 3mkq s VAL 559 Ca -0.05 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 3mkq s VAL 559 Cb -0.14 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.87 3mkq s VAL 559 CO 0.04 0.11 0.19 0.61 0.00 0.00 0.00 175.10 176.05 3mkq n GLY 560 N 5.05 -0.17 2.82 4.51 0.00 -1.26 -0.39 105.19 115.75 3mkq n GLY 560 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3mkq n GLY 560 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mkq n GLY 561 N -2.30 1.32 3.78 -0.02 0.00 -1.26 -5.02 105.19 101.69 3mkq n GLY 561 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3mkq n GLY 561 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 562 N -0.06 2.99 -0.07 1.61 -0.14 0.48 -5.05 119.74 119.49 3mkq s LYS 562 Ca 0.00 -0.59 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 3mkq s LYS 562 Cb 0.00 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 33.36 3mkq s LYS 562 CO 0.00 0.60 -0.16 0.99 -0.76 0.00 0.00 175.35 176.02 3mkq s THR 563 N -1.31 1.43 -0.01 2.17 2.01 -1.26 -1.21 115.64 117.46 3mkq s THR 563 Ca 0.27 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.65 3mkq s THR 563 Cb -0.12 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3mkq s THR 563 CO 0.19 0.42 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.09 3mkq s TYR 564 N 0.48 1.26 0.27 4.92 1.51 -0.76 -4.99 117.35 120.03 3mkq s TYR 564 Ca -0.14 -0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 3mkq s TYR 564 Cb -0.16 -0.81 -0.09 0.00 -0.11 0.00 0.00 41.96 40.79 3mkq s TYR 564 CO 0.05 -0.03 0.74 1.21 -1.11 0.00 0.00 175.55 176.41 3mkq s ASN 565 N -0.31 6.94 -0.02 2.29 2.47 -1.26 -1.73 114.94 123.32 3mkq s ASN 565 Ca 0.05 1.37 0.01 0.00 0.42 0.00 0.00 52.86 54.70 3mkq s ASN 565 Cb -0.06 -2.40 -0.02 0.00 -1.45 0.00 0.00 41.25 37.33 3mkq s ASN 565 CO -0.00 -0.08 -0.01 0.18 -3.72 0.00 0.00 177.10 173.47 3mkq n LEU 566 N 0.23 1.89 -3.56 3.21 4.77 0.19 -4.95 117.00 118.78 3mkq n LEU 566 Ca 0.00 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3mkq n LEU 566 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3mkq n LEU 566 CO 0.42 0.35 0.55 0.00 -1.33 0.00 0.00 177.39 177.38 3mkq s ALA 567 N -2.04 -1.62 -0.38 -1.18 0.00 -1.02 -4.98 121.76 110.53 3mkq s ALA 567 Ca -0.02 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3mkq s ALA 567 Cb 0.01 0.70 0.11 0.00 0.00 0.00 0.00 23.12 23.94 3mkq s ALA 567 CO 0.05 -0.82 0.14 -1.01 0.00 0.00 0.00 175.76 174.12 3mkq s HIS 568 N -3.51 2.59 0.75 0.00 3.76 -1.26 -1.20 115.29 116.42 3mkq s HIS 568 Ca 0.05 -2.50 -0.12 0.00 -0.15 0.00 0.00 55.06 52.35 3mkq s HIS 568 Cb -0.02 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.44 3mkq s HIS 568 CO -0.07 -0.85 1.11 0.71 -0.85 0.00 0.00 174.74 174.79 3mkq s TYR 569 N 0.80 3.14 -0.54 1.40 1.51 0.87 -5.01 117.35 119.51 3mkq s TYR 569 Ca 0.13 1.01 0.24 0.00 -1.01 0.00 0.00 57.07 57.44 3mkq s TYR 569 Cb -0.21 -3.17 0.23 0.00 -0.11 0.00 0.00 41.96 38.70 3mkq s TYR 569 CO -0.10 -1.44 1.23 1.79 -1.11 0.00 0.00 175.55 175.92 3mkq h THR 570 N -0.84 0.00 -3.54 -0.71 1.35 -1.96 -3.45 112.91 103.76 3mkq h THR 570 Ca -0.46 -0.61 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 3mkq h THR 570 Cb 1.27 1.14 -0.10 0.00 -1.73 0.00 0.00 68.15 68.74 3mkq h THR 570 CO 0.63 0.00 -0.09 -1.59 -0.25 0.00 0.00 175.52 174.23 3mkq s LYS 571 N -3.22 1.43 0.11 4.72 -2.85 -1.26 -5.09 119.74 113.59 3mkq s LYS 571 Ca 0.04 -1.09 -0.36 0.00 -1.00 0.00 0.00 55.97 53.57 3mkq s LYS 571 Cb 0.12 0.48 -0.16 0.00 -2.06 0.00 0.00 37.83 36.21 3mkq s LYS 571 CO 0.75 -0.59 1.35 0.39 0.10 0.00 0.00 175.35 177.35 3mkq n GLU 572 N -0.34 1.34 -4.34 1.78 1.02 -1.26 -4.82 120.64 114.02 3mkq n GLU 572 Ca -0.06 0.48 -0.21 0.00 -0.02 0.00 0.00 57.16 57.35 3mkq n GLU 572 Cb 0.62 -2.12 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 3mkq n GLU 572 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3mkq s MET 573 N 0.40 1.30 -0.04 3.49 -1.94 -1.26 -4.29 119.30 116.95 3mkq s MET 573 Ca 0.81 -1.46 0.01 0.00 -1.71 0.00 0.00 55.69 53.34 3mkq s MET 573 Cb -0.89 -1.30 0.02 0.00 2.01 0.00 0.00 34.83 34.67 3mkq s MET 573 CO 0.46 0.25 -0.03 0.71 -0.01 0.00 0.00 175.02 176.40 3mkq s TYR 574 N -2.25 0.65 0.13 -0.03 2.02 0.49 -4.86 117.35 113.51 3mkq s TYR 574 Ca 0.18 -0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.41 3mkq s TYR 574 Cb -0.05 -0.63 -0.08 0.00 -0.40 0.00 0.00 41.96 40.81 3mkq s TYR 574 CO 0.07 -0.19 1.30 -0.51 -1.57 0.00 0.00 175.55 174.65 3mkq s LEU 575 N 1.03 4.39 -0.25 -1.29 1.43 -1.26 -0.68 118.68 122.05 3mkq s LEU 575 Ca -0.09 2.25 -0.07 0.00 -1.03 0.00 0.00 54.13 55.19 3mkq s LEU 575 Cb -0.14 -3.59 -0.16 0.00 0.03 0.00 0.00 46.19 42.33 3mkq s LEU 575 CO -0.01 -0.54 -0.18 0.18 0.23 0.00 0.00 176.35 176.03 3mkq n LEU 576 N 3.46 2.47 0.00 1.79 4.32 0.15 -4.85 117.00 124.34 3mkq n LEU 576 Ca 0.09 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3mkq n LEU 576 Cb 0.44 -0.90 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 3mkq n LEU 576 CO 0.57 0.74 0.00 0.61 -1.22 0.00 0.00 177.39 178.09 3mkq n GLY 577 N 1.78 -0.00 3.49 -0.72 0.00 -1.17 -4.52 105.19 104.05 3mkq n GLY 577 Ca -0.47 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 3mkq n GLY 577 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mkq s TYR 578 N -1.92 2.82 -0.30 1.61 5.04 -1.26 -0.70 117.35 122.64 3mkq s TYR 578 Ca 0.00 -0.21 0.03 0.00 -2.44 0.00 0.00 57.07 54.45 3mkq s TYR 578 Cb 0.00 -1.72 0.08 0.00 0.35 0.00 0.00 41.96 40.67 3mkq s TYR 578 CO 0.00 0.14 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.81 3mkq s LEU 579 N -0.46 3.91 0.60 6.97 1.43 -0.82 -4.97 118.68 125.35 3mkq s LEU 579 Ca 0.06 -1.73 0.31 0.00 -1.03 0.00 0.00 54.13 51.73 3mkq s LEU 579 Cb -0.12 -1.52 1.79 0.00 0.03 0.00 0.00 46.19 46.37 3mkq s LEU 579 CO 0.02 -0.29 2.17 0.00 0.23 0.00 0.00 176.35 178.47 3mkq h ALA 580 N 7.73 1.62 -0.42 4.21 0.00 -1.94 0.26 119.26 130.72 3mkq h ALA 580 Ca -0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3mkq h ALA 580 Cb 1.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3mkq h ALA 580 CO 0.48 -0.18 0.19 -0.09 0.00 0.00 0.00 179.25 179.65 3mkq h ARG 581 N 0.00 0.61 -0.01 0.00 2.43 -1.95 -2.89 114.38 112.57 3mkq h ARG 581 Ca 0.05 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3mkq h ARG 581 Cb 0.30 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3mkq h ARG 581 CO -0.00 0.54 -0.62 -0.25 -1.51 0.00 0.00 179.97 178.14 3mkq n ASP 582 N -4.66 1.18 -2.79 -3.80 8.00 -0.66 -4.96 116.55 108.87 3mkq n ASP 582 Ca 0.00 -0.96 -0.21 0.00 0.71 0.00 0.00 54.79 54.33 3mkq n ASP 582 Cb 0.12 0.54 0.01 0.00 -0.02 0.00 0.00 41.12 41.78 3mkq n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3mkq n ASN 583 N -0.94 -5.55 -4.28 -2.24 2.85 0.84 -4.97 115.26 100.97 3mkq n ASN 583 Ca 0.07 -0.15 -0.16 0.00 -0.11 0.00 0.00 54.58 54.23 3mkq n ASN 583 Cb 0.37 -4.56 -0.10 0.00 1.24 0.00 0.00 39.78 36.73 3mkq n ASN 583 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3mkq s LYS 584 N -5.44 1.14 -0.05 1.20 1.02 -1.17 -1.91 119.74 114.52 3mkq s LYS 584 Ca 0.18 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.71 3mkq s LYS 584 Cb -0.08 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 3mkq s LYS 584 CO 0.22 0.13 -0.02 0.54 -0.92 0.00 0.00 175.35 175.30 3mkq s VAL 585 N -3.00 4.06 -0.05 3.17 0.11 0.99 -1.93 120.40 123.75 3mkq s VAL 585 Ca 0.17 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 3mkq s VAL 585 Cb 0.00 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.10 3mkq s VAL 585 CO 0.03 0.53 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.85 3mkq s TYR 586 N -0.93 2.63 0.32 1.54 1.51 0.13 -0.81 117.35 121.74 3mkq s TYR 586 Ca 0.15 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 3mkq s TYR 586 Cb -0.11 -1.62 -0.06 0.00 -0.11 0.00 0.00 41.96 40.05 3mkq s TYR 586 CO 0.05 0.08 0.05 -0.51 -1.11 0.00 0.00 175.55 174.11 3mkq s LEU 587 N -0.57 2.21 -0.03 -1.29 1.02 -0.43 0.32 118.68 119.90 3mkq s LEU 587 Ca 0.08 -1.36 -0.13 0.00 0.02 0.00 0.00 54.13 52.74 3mkq s LEU 587 Cb -0.11 -0.40 0.02 0.00 0.02 0.00 0.00 46.19 45.72 3mkq s LEU 587 CO 0.01 -0.59 0.29 0.00 0.02 0.00 0.00 176.35 176.08 3mkq s ALA 588 N -3.28 -0.72 0.58 4.21 0.00 0.15 -1.09 121.76 121.61 3mkq s ALA 588 Ca 0.36 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3mkq s ALA 588 Cb 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.25 3mkq s ALA 588 CO 0.15 -0.23 0.80 0.16 0.00 0.00 0.00 175.76 176.64 3mkq s ASP 589 N -1.08 5.07 0.51 0.00 1.47 -1.05 -0.38 116.67 121.21 3mkq s ASP 589 Ca -0.11 -0.31 0.23 0.00 1.18 0.00 0.00 52.55 53.53 3mkq s ASP 589 Cb -0.05 -0.42 1.31 0.00 -0.34 0.00 0.00 42.92 43.42 3mkq s ASP 589 CO 0.03 -1.30 1.99 0.08 0.68 0.00 0.00 175.17 176.65 3mkq h ARG 590 N 0.03 0.09 0.00 2.11 0.11 -1.90 0.23 114.38 115.05 3mkq h ARG 590 Ca -0.38 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.66 3mkq h ARG 590 Cb 1.28 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 3mkq h ARG 590 CO 0.46 0.06 -0.15 0.93 0.10 0.00 0.00 179.97 181.37 3mkq h GLU 591 N 0.09 0.00 -0.16 0.08 4.39 -1.93 -3.41 114.58 113.63 3mkq h GLU 591 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3mkq h GLU 591 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3mkq h GLU 591 CO -0.02 0.15 0.00 0.28 -1.16 0.00 0.00 179.01 178.25 3mkq n VAL 592 N -3.36 0.00 -2.90 3.13 0.31 0.79 -3.70 118.33 112.61 3mkq n VAL 592 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3mkq n VAL 592 Cb 0.36 -0.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.79 3mkq n VAL 592 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3mkq s HIS 593 N -2.16 3.93 -0.14 3.52 3.76 -1.26 -4.84 115.29 118.10 3mkq s HIS 593 Ca 0.00 1.73 -0.06 0.00 -0.15 0.00 0.00 55.06 56.58 3mkq s HIS 593 Cb 0.00 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 3mkq s HIS 593 CO 0.00 0.49 0.06 0.08 -0.85 0.00 0.00 174.74 174.52 3mkq s VAL 594 N -1.13 4.77 0.22 -0.90 1.01 -1.26 -2.52 120.40 120.59 3mkq s VAL 594 Ca 0.38 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.39 3mkq s VAL 594 Cb -0.24 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 3mkq s VAL 594 CO 0.28 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.45 3mkq s TYR 595 N -0.30 1.82 0.03 5.22 1.51 -0.25 -0.06 117.35 125.32 3mkq s TYR 595 Ca 0.08 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 3mkq s TYR 595 Cb -0.12 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 3mkq s TYR 595 CO 0.02 0.43 -0.09 0.20 -1.11 0.00 0.00 175.55 174.99 3mkq s GLY 596 N -3.34 0.54 -0.04 0.71 0.00 -1.26 -1.32 107.32 102.60 3mkq s GLY 596 Ca 0.24 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3mkq s GLY 596 CO 0.08 -0.67 -0.02 -0.47 0.00 0.00 0.00 173.10 172.03 3mkq s TYR 597 N -0.92 0.57 0.18 1.90 5.04 0.01 -4.80 117.35 119.32 3mkq s TYR 597 Ca -0.04 -0.12 -0.30 0.00 -2.44 0.00 0.00 57.07 54.17 3mkq s TYR 597 Cb -0.07 -0.59 -0.08 0.00 0.35 0.00 0.00 41.96 41.57 3mkq s TYR 597 CO 0.01 -0.19 1.08 -1.21 -1.34 0.00 0.00 175.55 173.90 3mkq s GLU 598 N 1.10 4.61 -0.06 4.97 2.02 -1.26 -0.00 118.70 130.08 3mkq s GLU 598 Ca -0.08 1.68 -0.02 0.00 0.02 0.00 0.00 54.97 56.57 3mkq s GLU 598 Cb -0.14 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.84 3mkq s GLU 598 CO -0.01 0.11 0.05 0.42 0.02 0.00 0.00 175.26 175.84 3mkq s ILE 599 N -0.27 0.04 -0.51 -1.63 -1.09 -0.80 -4.93 121.20 112.01 3mkq s ILE 599 Ca 0.49 0.29 -0.28 0.00 -2.23 0.00 0.00 60.65 58.92 3mkq s ILE 599 Cb -0.29 -0.30 -0.01 0.00 -1.58 0.00 0.00 42.46 40.29 3mkq s ILE 599 CO 0.34 0.17 1.66 -0.55 -1.23 0.00 0.00 174.94 175.33 3mkq s SER 600 N 2.11 5.79 0.31 3.58 0.15 -1.26 -4.71 113.70 119.67 3mkq s SER 600 Ca 0.05 0.59 0.06 0.00 0.70 0.00 0.00 55.95 57.34 3mkq s SER 600 Cb -0.12 -2.53 0.73 0.00 -1.71 0.00 0.00 66.02 62.38 3mkq s SER 600 CO -0.04 -1.92 1.79 0.25 1.20 0.00 0.00 173.24 174.53 3mkq h LEU 601 N 14.31 0.79 -1.46 3.45 5.85 -1.99 0.33 115.31 136.59 3mkq h LEU 601 Ca -0.28 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3mkq h LEU 601 Cb 1.14 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3mkq h LEU 601 CO 1.15 0.31 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.96 3mkq h GLU 602 N 0.79 0.00 0.00 1.25 3.07 -1.93 0.39 114.58 118.15 3mkq h GLU 602 Ca 0.55 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.21 3mkq h GLU 602 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 3mkq h GLU 602 CO -0.34 0.27 -0.88 0.28 -1.40 0.00 0.00 179.01 176.94 3mkq h VAL 603 N 0.00 1.48 -0.30 3.13 2.07 -0.84 -0.74 116.25 121.05 3mkq h VAL 603 Ca -0.00 -2.58 -0.16 0.00 0.82 0.00 0.00 66.70 64.77 3mkq h VAL 603 Cb 0.49 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3mkq h VAL 603 CO 0.04 0.76 -0.44 -0.07 0.02 0.00 0.00 177.57 177.87 3mkq h LEU 604 N 0.13 0.91 -0.39 2.57 3.38 0.09 -2.70 115.31 119.30 3mkq h LEU 604 Ca -0.05 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3mkq h LEU 604 Cb 1.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3mkq h LEU 604 CO 0.14 1.24 0.15 -0.33 0.09 0.00 0.00 178.44 179.73 3mkq h GLU 605 N 0.61 0.58 -0.77 1.13 5.08 -0.20 -2.16 114.58 118.85 3mkq h GLU 605 Ca 0.03 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3mkq h GLU 605 Cb 1.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 3mkq h GLU 605 CO 0.10 0.56 0.43 0.35 -1.00 0.00 0.00 179.01 179.45 3mkq h PHE 606 N 0.48 0.78 -0.04 4.33 3.57 -1.07 -1.55 116.94 123.43 3mkq h PHE 606 Ca 0.13 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.48 3mkq h PHE 606 Cb 0.20 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3mkq h PHE 606 CO 0.00 0.33 -0.76 1.96 -2.23 0.00 0.00 178.31 177.61 3mkq h GLN 607 N 0.74 0.29 0.61 1.11 4.20 -1.35 -1.62 115.11 119.09 3mkq h GLN 607 Ca 0.37 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3mkq h GLN 607 Cb 0.31 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.16 3mkq h GLN 607 CO -0.23 0.92 -0.29 1.15 -0.67 0.00 0.00 178.83 179.70 3mkq h THR 608 N 0.19 0.39 0.10 -0.54 2.02 -0.73 0.46 112.91 114.80 3mkq h THR 608 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3mkq h THR 608 Cb 1.34 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3mkq h THR 608 CO 0.12 0.01 -0.11 -0.07 0.37 0.00 0.00 175.52 175.84 3mkq h LEU 609 N -0.85 -0.29 -0.30 2.58 3.38 -1.36 -2.83 115.31 115.63 3mkq h LEU 609 Ca -0.08 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3mkq h LEU 609 Cb 0.64 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 3mkq h LEU 609 CO 0.14 -0.17 -0.24 0.74 0.09 0.00 0.00 178.44 179.00 3mkq h THR 610 N -0.24 0.37 -0.04 0.22 2.02 -1.21 -0.50 112.91 113.54 3mkq h THR 610 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3mkq h THR 610 Cb 0.23 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3mkq h THR 610 CO -0.04 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.84 3mkq h LEU 611 N -0.22 0.00 -3.23 2.58 4.07 -0.75 -2.03 115.31 115.74 3mkq h LEU 611 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3mkq h LEU 611 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3mkq h LEU 611 CO -0.43 0.00 0.00 -2.11 -1.08 0.00 0.00 178.44 174.82 3mkq n ARG 612 N -3.64 3.65 -0.19 1.13 1.85 -0.61 -4.96 116.66 113.88 3mkq n ARG 612 Ca -0.02 -2.83 0.00 0.00 -1.00 0.00 0.00 57.85 54.00 3mkq n ARG 612 Cb 0.14 -1.88 0.00 0.00 -1.05 0.00 0.00 32.46 29.67 3mkq n ARG 612 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3mkq n GLY 613 N 0.46 0.68 2.19 2.89 0.00 -0.76 -4.99 105.19 105.66 3mkq n GLY 613 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3mkq n GLY 613 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mkq n GLU 614 N -2.05 3.03 -0.19 1.61 1.02 -0.30 -4.68 120.64 119.08 3mkq n GLU 614 Ca 0.00 -3.63 0.07 0.00 -0.02 0.00 0.00 57.16 53.58 3mkq n GLU 614 Cb 0.00 -2.28 0.35 0.00 -0.02 0.00 0.00 31.44 29.49 3mkq n GLU 614 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3mkq h ILE 615 N 1.46 1.01 -0.82 -3.67 2.10 -1.77 0.11 117.51 115.92 3mkq h ILE 615 Ca 0.51 -0.26 -0.03 0.00 1.08 0.00 0.00 64.86 66.16 3mkq h ILE 615 Cb 1.13 0.19 -0.04 0.00 -1.09 0.00 0.00 36.82 37.01 3mkq h ILE 615 CO 1.25 0.14 0.41 -0.33 -1.08 0.00 0.00 178.15 178.54 3mkq h GLU 616 N 0.76 1.17 -0.23 2.19 4.39 -1.95 0.47 114.58 121.38 3mkq h GLU 616 Ca 0.32 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 3mkq h GLU 616 Cb 0.28 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3mkq h GLU 616 CO -0.11 0.89 0.02 1.49 -1.16 0.00 0.00 179.01 180.14 3mkq h GLU 617 N 1.16 0.39 0.02 2.33 4.57 -1.29 -2.04 114.58 119.73 3mkq h GLU 617 Ca 0.28 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3mkq h GLU 617 Cb 0.09 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3mkq h GLU 617 CO -0.04 0.55 -0.01 0.00 -1.18 0.00 0.00 179.01 178.33 3mkq h ALA 618 N 0.83 -0.03 -0.76 2.92 0.00 -0.25 -0.76 119.26 121.21 3mkq h ALA 618 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3mkq h ALA 618 Cb 0.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3mkq h ALA 618 CO 0.01 -0.48 0.50 0.82 0.00 0.00 0.00 179.25 180.10 3mkq h ILE 619 N -0.11 1.06 0.06 0.00 2.04 -0.06 0.96 117.51 121.46 3mkq h ILE 619 Ca -0.00 -0.29 -0.30 0.00 1.00 0.00 0.00 64.86 65.27 3mkq h ILE 619 Cb 0.10 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3mkq h ILE 619 CO 0.00 0.15 -1.58 -0.08 0.00 0.00 0.00 178.15 176.65 3mkq h GLU 620 N 0.84 0.13 0.00 2.37 4.81 -1.23 -3.38 114.58 118.13 3mkq h GLU 620 Ca 0.32 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3mkq h GLU 620 Cb 0.18 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3mkq h GLU 620 CO -0.10 0.90 -1.41 0.09 -0.73 0.00 0.00 179.01 177.76 3mkq n ASN 621 N -3.31 3.33 -0.10 1.04 3.02 -0.31 -4.76 115.26 114.18 3mkq n ASN 621 Ca -0.16 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.15 3mkq n ASN 621 Cb 1.03 0.94 -0.12 0.00 -0.61 0.00 0.00 39.78 41.03 3mkq n ASN 621 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3mkq n VAL 622 N -2.04 1.57 -0.27 2.41 0.31 0.22 -4.55 118.33 115.97 3mkq n VAL 622 Ca -0.07 -0.39 0.02 0.00 -0.01 0.00 0.00 64.34 63.88 3mkq n VAL 622 Cb 0.50 -1.78 0.09 0.00 -0.91 0.00 0.00 33.84 31.73 3mkq n VAL 622 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3mkq h LEU 623 N -0.56 -0.79 0.00 7.52 6.46 -1.42 0.81 115.31 127.33 3mkq h LEU 623 Ca -0.53 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3mkq h LEU 623 Cb 1.69 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 42.12 3mkq h LEU 623 CO -0.19 -0.27 0.08 -2.65 -0.62 0.00 0.00 178.44 174.79 3mkq n PRO 624 N -5.51 0.00 0.00 5.25 -0.02 -1.26 -0.38 135.00 133.08 3mkq n PRO 624 Ca 0.11 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 3mkq n PRO 624 Cb 0.40 -1.58 0.02 0.00 -0.02 0.00 0.00 33.50 32.31 3mkq n PRO 624 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mkq n ASN 625 N -1.23 1.56 -4.79 2.55 4.13 0.28 -4.97 115.26 112.78 3mkq n ASN 625 Ca 0.00 -1.28 -0.36 0.00 1.68 0.00 0.00 54.58 54.62 3mkq n ASN 625 Cb 0.08 0.32 -0.04 0.00 -1.54 0.00 0.00 39.78 38.60 3mkq n ASN 625 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mkq s VAL 626 N -1.37 3.74 -0.04 2.41 1.01 0.49 -4.96 120.40 121.69 3mkq s VAL 626 Ca 0.11 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.38 3mkq s VAL 626 Cb 0.10 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3mkq s VAL 626 CO 0.25 -0.05 -0.07 -1.61 0.00 0.00 0.00 175.10 173.62 3mkq s GLU 627 N -2.67 0.95 0.00 2.72 2.02 -1.26 -4.99 118.70 115.47 3mkq s GLU 627 Ca 0.60 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.38 3mkq s GLU 627 Cb -0.21 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.13 3mkq s GLU 627 CO 0.26 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.95 3mkq n GLY 628 N 3.71 -0.69 0.40 -1.39 0.00 -1.26 -4.20 105.19 101.77 3mkq n GLY 628 Ca -0.22 -1.24 0.17 0.00 0.00 0.00 0.00 46.02 44.73 3mkq n GLY 628 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mkq h LYS 629 N 0.00 0.00 0.00 1.61 1.57 -1.98 -1.20 116.57 116.57 3mkq h LYS 629 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mkq h LYS 629 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3mkq h LYS 629 CO 0.00 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.41 3mkq n ASP 630 N -3.12 0.00 -0.15 0.86 2.03 -1.26 -0.96 116.55 113.95 3mkq n ASP 630 Ca 0.08 0.95 0.01 0.00 0.52 0.00 0.00 54.79 56.34 3mkq n ASP 630 Cb 0.90 -0.47 0.28 0.00 -0.72 0.00 0.00 41.12 41.10 3mkq n ASP 630 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3mkq h SER 631 N 0.00 0.76 -0.22 1.67 0.02 -1.47 -1.16 113.55 113.15 3mkq h SER 631 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3mkq h SER 631 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3mkq h SER 631 CO 0.00 0.58 0.11 0.25 -1.14 0.00 0.00 176.83 176.64 3mkq h LEU 632 N 0.88 0.31 0.02 5.07 5.85 -1.29 -0.81 115.31 125.33 3mkq h LEU 632 Ca 0.23 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.71 3mkq h LEU 632 Cb -0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3mkq h LEU 632 CO -0.04 0.27 -1.04 0.74 -0.34 0.00 0.00 178.44 178.02 3mkq h THR 633 N 0.35 1.68 -0.28 1.05 2.02 0.16 -2.19 112.91 115.70 3mkq h THR 633 Ca 0.09 -3.35 -0.15 0.00 0.77 0.00 0.00 66.41 63.76 3mkq h THR 633 Cb 0.05 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3mkq h THR 633 CO -0.01 0.96 -0.45 0.50 0.37 0.00 0.00 175.52 176.89 3mkq h LYS 634 N 0.01 0.71 -0.55 6.66 3.64 -0.70 -0.58 116.57 125.77 3mkq h LYS 634 Ca -0.03 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 3mkq h LYS 634 Cb 1.81 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 3mkq h LYS 634 CO 0.14 1.02 0.02 0.82 -2.27 0.00 0.00 179.45 179.18 3mkq h ILE 635 N 0.57 1.26 0.24 2.00 2.04 -1.17 0.13 117.51 122.57 3mkq h ILE 635 Ca 0.04 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3mkq h ILE 635 Cb 1.01 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3mkq h ILE 635 CO 0.10 0.39 -0.11 0.00 0.00 0.00 0.00 178.15 178.52 3mkq h ALA 636 N 0.97 -0.32 -0.68 1.87 0.00 -1.20 0.17 119.26 120.07 3mkq h ALA 636 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mkq h ALA 636 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3mkq h ALA 636 CO 0.03 -0.59 0.37 0.00 0.00 0.00 0.00 179.25 179.06 3mkq h ARG 637 N -0.50 0.93 -0.19 0.00 3.08 -1.07 -1.29 114.38 115.34 3mkq h ARG 637 Ca -0.03 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3mkq h ARG 637 Cb 0.38 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3mkq h ARG 637 CO 0.05 0.68 0.06 0.35 -1.07 0.00 0.00 179.97 180.05 3mkq h PHE 638 N 0.94 0.11 -0.60 3.04 3.57 -0.44 -2.20 116.94 121.37 3mkq h PHE 638 Ca 0.24 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3mkq h PHE 638 Cb 0.02 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3mkq h PHE 638 CO 0.01 0.05 0.39 -0.07 -2.23 0.00 0.00 178.31 176.46 3mkq h LEU 639 N 0.15 0.68 -1.82 0.59 3.38 -0.34 -1.19 115.31 116.77 3mkq h LEU 639 Ca 0.08 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3mkq h LEU 639 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3mkq h LEU 639 CO -0.09 0.49 0.31 -0.08 0.09 0.00 0.00 178.44 179.16 3mkq h GLU 640 N 0.81 0.20 -0.96 1.13 4.81 -0.97 0.83 114.58 120.44 3mkq h GLU 640 Ca 0.22 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3mkq h GLU 640 Cb -0.09 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 3mkq h GLU 640 CO -0.05 0.13 0.60 0.78 -0.73 0.00 0.00 179.01 179.75 3mkq h GLY 641 N 0.21 1.37 -1.67 1.92 0.00 -0.59 -1.50 103.07 102.81 3mkq h GLY 641 Ca 0.21 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3mkq h GLY 641 CO -0.04 0.53 0.00 -1.06 0.00 0.00 0.00 176.54 175.97 3mkq n GLN 642 N -4.37 2.16 -1.57 4.80 3.00 0.18 -4.91 117.38 116.68 3mkq n GLN 642 Ca 0.11 -1.54 -0.15 0.00 -0.01 0.00 0.00 57.00 55.41 3mkq n GLN 642 Cb 0.04 -1.42 -0.05 0.00 0.00 0.00 0.00 30.24 28.80 3mkq n GLN 642 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3mkq n GLU 643 N 0.66 -1.04 -1.30 -1.09 1.02 -0.56 -4.87 120.64 113.46 3mkq n GLU 643 Ca 0.14 0.96 -0.23 0.00 -0.02 0.00 0.00 57.16 58.01 3mkq n GLU 643 Cb 0.42 -5.12 -0.10 0.00 -0.02 0.00 0.00 31.44 26.62 3mkq n GLU 643 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mkq n TYR 644 N -2.82 1.09 -0.17 -0.32 4.02 -0.59 -4.69 117.16 113.69 3mkq n TYR 644 Ca -0.15 -1.98 -0.08 0.00 -0.01 0.00 0.00 57.90 55.68 3mkq n TYR 644 Cb 0.51 -1.67 -0.02 0.00 -0.02 0.00 0.00 39.34 38.13 3mkq n TYR 644 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3mkq h TYR 645 N 3.41 -1.13 -0.60 -0.72 0.99 -1.89 0.50 116.97 117.54 3mkq h TYR 645 Ca 0.40 0.07 0.05 0.00 2.00 0.00 0.00 58.73 61.25 3mkq h TYR 645 Cb 0.98 0.57 -0.05 0.00 1.00 0.00 0.00 36.73 39.22 3mkq h TYR 645 CO 1.68 -0.41 0.32 1.49 -0.00 0.00 0.00 178.16 181.24 3mkq h GLU 646 N -0.24 0.59 -0.30 4.88 4.81 -1.92 0.30 114.58 122.70 3mkq h GLU 646 Ca 0.18 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3mkq h GLU 646 Cb 0.56 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3mkq h GLU 646 CO -0.63 0.39 -0.05 0.93 -0.73 0.00 0.00 179.01 178.92 3mkq h GLU 647 N 0.61 0.56 -0.91 1.92 3.07 -1.77 -2.83 114.58 115.23 3mkq h GLU 647 Ca 0.26 -0.20 0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3mkq h GLU 647 Cb 0.16 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 27.96 3mkq h GLU 647 CO -0.17 0.74 0.59 0.00 -1.40 0.00 0.00 179.01 178.77 3mkq h ALA 648 N 0.80 1.59 -0.65 3.43 0.00 0.69 -2.52 119.26 122.60 3mkq h ALA 648 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mkq h ALA 648 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3mkq h ALA 648 CO 0.02 0.24 0.36 1.25 0.00 0.00 0.00 179.25 181.13 3mkq h LEU 649 N 0.94 0.81 0.00 0.00 5.85 -0.17 -1.72 115.31 121.01 3mkq h LEU 649 Ca 0.41 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3mkq h LEU 649 Cb 0.35 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3mkq h LEU 649 CO -0.17 0.67 0.00 0.59 -0.34 0.00 0.00 178.44 179.18 3mkq n ASN 650 N -4.54 0.00 -0.12 1.25 5.03 -0.97 -4.04 115.26 111.87 3mkq n ASN 650 Ca 0.05 0.28 -0.23 0.00 0.87 0.00 0.00 54.58 55.55 3mkq n ASN 650 Cb 0.08 -0.42 -0.09 0.00 -1.02 0.00 0.00 39.78 38.33 3mkq n ASN 650 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3mkq n ILE 651 N -1.42 1.34 -1.61 2.41 5.41 -1.04 -5.00 119.36 119.45 3mkq n ILE 651 Ca 0.09 -0.39 -0.46 0.00 1.00 0.00 0.00 62.75 62.99 3mkq n ILE 651 Cb 0.29 -1.68 -0.03 0.00 -0.71 0.00 0.00 39.64 37.51 3mkq n ILE 651 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3mkq n SER 652 N -3.83 1.68 -1.24 4.38 2.88 -0.68 -4.89 113.62 111.92 3mkq n SER 652 Ca -0.46 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.34 3mkq n SER 652 Cb 0.87 -1.30 0.29 0.00 -0.75 0.00 0.00 64.21 63.32 3mkq n SER 652 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mkq n PRO 653 N 1.38 2.88 -4.10 -1.46 -0.04 -1.26 -4.89 135.00 127.50 3mkq n PRO 653 Ca 0.12 -2.58 -0.36 0.00 -0.04 0.00 0.00 63.50 60.64 3mkq n PRO 653 Cb 0.29 -1.55 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 3mkq n PRO 653 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3mkq s ASP 654 N -1.00 5.77 0.02 3.54 2.15 -1.26 -5.03 116.67 120.87 3mkq s ASP 654 Ca 0.44 0.26 -0.21 0.00 0.43 0.00 0.00 52.55 53.47 3mkq s ASP 654 Cb 0.24 -1.81 -0.16 0.00 -0.30 0.00 0.00 42.92 40.89 3mkq s ASP 654 CO 0.29 0.35 1.28 1.56 -0.17 0.00 0.00 175.17 178.48 3mkq h GLN 655 N 5.42 0.33 -0.10 4.34 1.08 -1.99 -1.19 115.11 123.00 3mkq h GLN 655 Ca -0.49 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 56.50 3mkq h GLN 655 Cb 1.20 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 3mkq h GLN 655 CO 0.59 0.79 0.05 -0.44 -0.95 0.00 0.00 178.83 178.87 3mkq h ASP 656 N -0.09 0.12 0.00 1.46 3.32 -1.98 -1.38 116.42 117.87 3mkq h ASP 656 Ca 0.01 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3mkq h ASP 656 Cb 0.76 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3mkq h ASP 656 CO 0.04 0.11 -0.16 -0.61 -1.72 0.00 0.00 179.24 176.90 3mkq h GLN 657 N 0.14 0.00 -0.84 3.56 4.15 -1.98 -2.58 115.11 117.56 3mkq h GLN 657 Ca 0.04 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.57 3mkq h GLN 657 Cb 0.02 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.58 3mkq h GLN 657 CO -0.01 0.66 -0.44 0.87 -1.93 0.00 0.00 178.83 177.98 3mkq h LYS 658 N -1.00 -0.08 -0.39 1.69 1.79 -1.09 0.33 116.57 117.83 3mkq h LYS 658 Ca -0.04 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3mkq h LYS 658 Cb 0.72 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 3mkq h LYS 658 CO -0.02 -0.05 0.18 0.35 -1.08 0.00 0.00 179.45 178.82 3mkq h PHE 659 N -0.08 0.32 -0.04 -1.35 3.57 -1.38 0.17 116.94 118.14 3mkq h PHE 659 Ca 0.25 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3mkq h PHE 659 Cb 0.55 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3mkq h PHE 659 CO -0.84 0.16 0.00 1.49 -2.23 0.00 0.00 178.31 176.89 3mkq h GLU 660 N 0.36 0.06 0.18 1.11 4.81 -0.42 -2.81 114.58 117.87 3mkq h GLU 660 Ca 0.17 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.13 3mkq h GLU 660 Cb 0.10 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.49 3mkq h GLU 660 CO -0.13 0.07 -1.22 -0.07 -0.73 0.00 0.00 179.01 176.93 3mkq h LEU 661 N 0.06 0.58 -1.18 1.64 3.38 0.55 -3.10 115.31 117.24 3mkq h LEU 661 Ca 0.02 -0.92 0.14 0.00 0.09 0.00 0.00 57.88 57.20 3mkq h LEU 661 Cb 0.04 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3mkq h LEU 661 CO 0.00 1.57 0.60 0.00 0.09 0.00 0.00 178.44 180.70 3mkq h ALA 662 N 0.08 1.73 -0.31 1.53 0.00 -0.50 0.19 119.26 121.97 3mkq h ALA 662 Ca -0.23 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3mkq h ALA 662 Cb 1.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3mkq h ALA 662 CO 0.18 0.01 -0.15 -0.07 0.00 0.00 0.00 179.25 179.22 3mkq h LEU 663 N 0.79 0.67 -1.06 0.00 3.38 -1.60 0.18 115.31 117.67 3mkq h LEU 663 Ca 0.48 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3mkq h LEU 663 Cb 0.67 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3mkq h LEU 663 CO -0.24 0.93 0.63 0.50 0.09 0.00 0.00 178.44 180.35 3mkq h LYS 664 N 0.41 1.19 -0.01 1.13 1.63 -0.68 -2.44 116.57 117.81 3mkq h LYS 664 Ca 0.07 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3mkq h LYS 664 Cb 0.67 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3mkq h LYS 664 CO 0.05 0.78 -0.15 1.33 -3.45 0.00 0.00 179.45 178.01 3mkq n VAL 665 N -4.43 0.00 -0.64 2.00 0.24 0.28 -4.95 118.33 110.83 3mkq n VAL 665 Ca 0.13 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3mkq n VAL 665 Cb 0.09 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3mkq n VAL 665 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mkq n GLY 666 N 1.28 0.72 2.48 7.63 0.00 -0.48 -4.95 105.19 111.87 3mkq n GLY 666 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3mkq n GLY 666 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mkq n GLN 667 N -2.48 3.90 -0.31 1.61 6.02 0.53 -4.71 117.38 121.94 3mkq n GLN 667 Ca 0.00 -2.84 0.04 0.00 -0.01 0.00 0.00 57.00 54.19 3mkq n GLN 667 Cb 0.00 -2.82 0.18 0.00 1.02 0.00 0.00 30.24 28.62 3mkq n GLN 667 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3mkq h LEU 668 N 6.98 0.73 0.16 1.08 3.38 -1.92 -0.94 115.31 124.77 3mkq h LEU 668 Ca 0.72 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.75 3mkq h LEU 668 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3mkq h LEU 668 CO 1.68 0.41 -0.18 0.74 0.09 0.00 0.00 178.44 181.18 3mkq h THR 669 N 0.84 0.60 -0.08 0.22 2.02 -1.95 0.92 112.91 115.48 3mkq h THR 669 Ca 0.42 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.63 3mkq h THR 669 Cb 0.39 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 3mkq h THR 669 CO -0.25 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.73 3mkq h LEU 670 N -0.37 -0.49 -0.65 2.58 6.46 -1.81 -0.83 115.31 120.19 3mkq h LEU 670 Ca 0.01 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3mkq h LEU 670 Cb 0.36 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.46 3mkq h LEU 670 CO -0.06 -0.21 0.37 0.00 -0.62 0.00 0.00 178.44 177.91 3mkq h ALA 671 N 0.78 0.87 -0.94 1.25 0.00 -0.85 -0.80 119.26 119.56 3mkq h ALA 671 Ca 0.08 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.20 3mkq h ALA 671 Cb 0.34 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3mkq h ALA 671 CO -0.21 0.05 0.61 -0.09 0.00 0.00 0.00 179.25 179.60 3mkq h ARG 672 N 0.68 0.48 0.00 0.00 1.12 0.22 -0.03 114.38 116.86 3mkq h ARG 672 Ca 0.29 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 3mkq h ARG 672 Cb 0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 3mkq h ARG 672 CO -0.17 0.32 -0.15 -0.25 -3.11 0.00 0.00 179.97 176.60 3mkq n ASP 673 N -4.57 0.78 0.13 -3.80 9.92 -0.33 -2.56 116.55 116.13 3mkq n ASP 673 Ca 0.20 0.46 0.12 0.00 -0.53 0.00 0.00 54.79 55.05 3mkq n ASP 673 Cb 0.68 -0.56 0.15 0.00 -0.64 0.00 0.00 41.12 40.74 3mkq n ASP 673 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3mkq h LEU 674 N 0.00 0.00 0.00 0.64 4.07 -0.73 -3.23 115.31 116.06 3mkq h LEU 674 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3mkq h LEU 674 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3mkq h LEU 674 CO 0.00 0.02 -0.99 0.18 -1.08 0.00 0.00 178.44 176.57 3mkq n LEU 675 N -2.64 0.66 0.00 1.67 4.77 -1.01 -4.54 117.00 115.91 3mkq n LEU 675 Ca 0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3mkq n LEU 675 Cb 0.50 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3mkq n LEU 675 CO 0.36 0.11 0.00 0.35 -1.33 0.00 0.00 177.39 176.88 3mkq n THR 676 N -1.77 0.00 -2.32 -5.08 -2.24 -1.06 0.28 114.28 102.08 3mkq n THR 676 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 3mkq n THR 676 Cb 0.40 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.64 3mkq n THR 676 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3mkq n ASP 677 N -1.58 0.59 0.00 3.42 8.00 -1.26 -4.89 116.55 120.83 3mkq n ASP 677 Ca 0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3mkq n ASP 677 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3mkq n ASP 677 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mkq n GLU 678 N 0.32 0.00 0.00 -1.24 -0.58 0.78 -4.85 120.64 115.08 3mkq n GLU 678 Ca 0.02 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3mkq n GLU 678 Cb 0.99 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 3mkq n GLU 678 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3mkq n SER 679 N -1.33 0.00 -2.28 1.62 7.64 -1.26 -4.85 113.62 113.15 3mkq n SER 679 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3mkq n SER 679 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3mkq n SER 679 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mkq n ALA 680 N 11.03 -1.48 -0.29 -0.43 0.00 -1.26 -4.49 120.51 123.58 3mkq n ALA 680 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3mkq n ALA 680 Cb 0.00 -0.34 0.26 0.00 0.00 0.00 0.00 19.45 19.36 3mkq n ALA 680 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3mkq h GLU 681 N 3.19 0.46 -0.63 0.00 5.08 -1.88 0.25 114.58 121.05 3mkq h GLU 681 Ca 0.00 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.51 3mkq h GLU 681 Cb 0.48 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3mkq h GLU 681 CO 0.00 0.30 0.45 0.00 -1.00 0.00 0.00 179.01 178.77 3mkq h MET 682 N 0.47 0.01 0.33 2.33 -0.00 -1.91 0.38 114.93 116.54 3mkq h MET 682 Ca 0.50 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 60.19 3mkq h MET 682 Cb 0.85 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 3mkq h MET 682 CO -0.46 0.00 -0.16 0.87 -0.00 0.00 0.00 176.91 177.17 3mkq h LYS 683 N 0.01 -0.43 -0.93 -0.10 1.79 -1.20 0.08 116.57 115.79 3mkq h LYS 683 Ca 0.30 0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.85 3mkq h LYS 683 Cb 1.19 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 3mkq h LYS 683 CO -0.01 -0.10 0.60 -1.49 -1.08 0.00 0.00 179.45 177.38 3mkq h TRP 684 N -0.89 1.09 -0.53 -1.35 4.06 -1.22 0.46 115.95 117.57 3mkq h TRP 684 Ca -0.05 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 3mkq h TRP 684 Cb 0.53 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 3mkq h TRP 684 CO 0.03 0.59 0.12 -0.09 -3.56 0.00 0.00 178.44 175.53 3mkq h ARG 685 N 1.09 0.82 -0.08 0.49 2.43 -0.25 0.25 114.38 119.13 3mkq h ARG 685 Ca 0.39 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3mkq h ARG 685 Cb 0.14 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3mkq h ARG 685 CO -0.14 0.74 -0.05 0.00 -1.51 0.00 0.00 179.97 179.02 3mkq h ALA 686 N 1.34 0.11 -0.57 2.80 0.00 0.12 -1.95 119.26 121.11 3mkq h ALA 686 Ca 0.17 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3mkq h ALA 686 Cb 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3mkq h ALA 686 CO 0.00 -0.12 0.21 1.25 0.00 0.00 0.00 179.25 180.59 3mkq h LEU 687 N -0.23 0.21 -1.39 0.00 6.46 0.27 -1.59 115.31 119.04 3mkq h LEU 687 Ca 0.02 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3mkq h LEU 687 Cb 0.51 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3mkq h LEU 687 CO 0.01 0.13 0.27 1.23 -0.62 0.00 0.00 178.44 179.46 3mkq h GLY 688 N 0.39 0.73 1.30 3.75 0.00 -0.36 0.21 103.07 109.08 3mkq h GLY 688 Ca 0.28 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 3mkq h GLY 688 CO -0.28 0.30 -0.59 -0.55 0.00 0.00 0.00 176.54 175.42 3mkq h ASP 689 N 0.69 0.81 -0.26 0.19 3.32 -0.51 -1.97 116.42 118.69 3mkq h ASP 689 Ca 0.18 -0.45 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 3mkq h ASP 689 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3mkq h ASP 689 CO -0.03 1.22 -0.15 0.00 -1.72 0.00 0.00 179.24 178.56 3mkq h ALA 690 N 0.79 0.37 0.21 3.45 0.00 -0.98 -1.77 119.26 121.33 3mkq h ALA 690 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3mkq h ALA 690 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3mkq h ALA 690 CO 0.12 0.26 -0.10 0.77 0.00 0.00 0.00 179.25 180.31 3mkq h SER 691 N 0.29 -0.23 -0.25 0.00 0.02 -0.95 -2.27 113.55 110.17 3mkq h SER 691 Ca 0.06 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3mkq h SER 691 Cb 0.67 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3mkq h SER 691 CO 0.04 -0.13 0.13 0.25 -1.14 0.00 0.00 176.83 175.98 3mkq h LEU 692 N -0.32 0.34 -1.62 5.07 5.85 -1.38 -0.43 115.31 122.82 3mkq h LEU 692 Ca -0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3mkq h LEU 692 Cb 0.24 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3mkq h LEU 692 CO 0.05 0.30 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.79 3mkq h GLN 693 N 0.39 0.00 -0.44 1.25 4.15 -0.94 -2.34 115.11 117.17 3mkq h GLN 693 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3mkq h GLN 693 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3mkq h GLN 693 CO -0.01 0.05 0.00 0.54 -1.93 0.00 0.00 178.83 177.47 3mkq n ARG 694 N -3.18 3.76 -2.16 1.69 3.00 -0.26 -4.96 116.66 114.54 3mkq n ARG 694 Ca -0.00 -2.91 -0.18 0.00 -0.01 0.00 0.00 57.85 54.75 3mkq n ARG 694 Cb 0.29 -1.96 -0.03 0.00 0.00 0.00 0.00 32.46 30.77 3mkq n ARG 694 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3mkq n PHE 695 N 0.25 -0.86 -3.18 -1.55 3.01 -0.88 -4.90 117.46 109.35 3mkq n PHE 695 Ca 0.24 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.28 3mkq n PHE 695 Cb 0.96 -3.44 -0.01 0.00 -0.01 0.00 0.00 39.48 36.99 3mkq n PHE 695 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3mkq n ASN 696 N -1.69 5.81 -0.03 4.37 2.85 -0.67 -4.87 115.26 121.04 3mkq n ASN 696 Ca -0.20 -3.29 0.02 0.00 -0.11 0.00 0.00 54.58 51.00 3mkq n ASN 696 Cb 0.64 -1.24 0.36 0.00 1.24 0.00 0.00 39.78 40.78 3mkq n ASN 696 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3mkq h PHE 697 N 5.74 0.59 -0.39 1.20 -1.00 -1.90 -1.63 116.94 119.54 3mkq h PHE 697 Ca 0.19 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.01 3mkq h PHE 697 Cb 0.71 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.03 3mkq h PHE 697 CO 0.90 0.43 0.13 -0.22 -1.61 0.00 0.00 178.31 177.94 3mkq h LYS 698 N 0.62 0.28 -0.22 1.51 3.64 -1.97 -0.12 116.57 120.30 3mkq h LYS 698 Ca 0.16 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 3mkq h LYS 698 Cb 0.04 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3mkq h LYS 698 CO -0.02 0.19 -0.64 1.25 -2.27 0.00 0.00 179.45 177.96 3mkq h LEU 699 N 0.29 0.94 -0.48 5.20 5.85 -1.90 -2.85 115.31 122.36 3mkq h LEU 699 Ca 0.18 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.40 3mkq h LEU 699 Cb 0.17 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 3mkq h LEU 699 CO -0.19 1.35 0.10 0.00 -0.34 0.00 0.00 178.44 179.36 3mkq h ALA 700 N 0.61 0.54 -0.93 1.25 0.00 -0.83 -0.09 119.26 119.81 3mkq h ALA 700 Ca -0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mkq h ALA 700 Cb 1.26 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3mkq h ALA 700 CO 0.14 -0.31 0.61 0.82 0.00 0.00 0.00 179.25 180.51 3mkq h ILE 701 N 0.24 1.24 -0.42 0.00 2.04 -1.01 -1.14 117.51 118.46 3mkq h ILE 701 Ca 0.24 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3mkq h ILE 701 Cb 0.31 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3mkq h ILE 701 CO -0.31 0.23 0.05 -0.08 0.00 0.00 0.00 178.15 178.05 3mkq h GLU 702 N 1.26 0.71 0.43 2.37 4.81 -0.98 -2.58 114.58 120.59 3mkq h GLU 702 Ca 0.34 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3mkq h GLU 702 Cb -0.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3mkq h GLU 702 CO -0.07 0.76 -0.20 0.00 -0.73 0.00 0.00 179.01 178.76 3mkq h ALA 703 N 0.93 -0.57 -0.13 2.92 0.00 -0.73 -2.20 119.26 119.47 3mkq h ALA 703 Ca 0.13 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3mkq h ALA 703 Cb 0.40 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mkq h ALA 703 CO 0.01 -0.73 0.12 0.74 0.00 0.00 0.00 179.25 179.38 3mkq h PHE 704 N -0.75 0.00 0.07 0.00 0.05 -1.26 0.19 116.94 115.24 3mkq h PHE 704 Ca -0.06 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 3mkq h PHE 704 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.48 3mkq h PHE 704 CO -0.01 0.00 -0.03 1.15 -0.18 0.00 0.00 178.31 179.24 3mkq h THR 705 N 0.00 1.23 0.00 -1.55 2.02 -1.35 0.47 112.91 113.73 3mkq h THR 705 Ca 0.06 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 3mkq h THR 705 Cb 0.30 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3mkq h THR 705 CO -0.00 0.32 -0.06 0.78 0.37 0.00 0.00 175.52 176.93 3mkq h ASN 706 N -0.74 0.00 1.31 4.18 2.35 -0.74 0.16 115.58 122.11 3mkq h ASN 706 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3mkq h ASN 706 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3mkq h ASN 706 CO 0.02 0.06 -0.12 0.00 -1.65 0.00 0.00 177.43 175.74 3mkq n ALA 707 N -2.49 2.42 -2.04 -0.83 0.00 0.62 -4.87 120.51 113.32 3mkq n ALA 707 Ca -0.03 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 3mkq n ALA 707 Cb 0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 3mkq n ALA 707 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mkq n HIS 708 N -2.16 -0.54 -2.65 0.00 8.25 0.55 -4.85 115.22 113.82 3mkq n HIS 708 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 3mkq n HIS 708 Cb 0.42 -3.53 -0.02 0.00 1.12 0.00 0.00 29.99 27.99 3mkq n HIS 708 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3mkq s ASP 709 N -2.41 6.64 0.35 0.41 -1.08 -0.02 -4.81 116.67 115.76 3mkq s ASP 709 Ca 0.00 -1.87 0.06 0.00 -0.52 0.00 0.00 52.55 50.22 3mkq s ASP 709 Cb 0.00 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.59 3mkq s ASP 709 CO 0.00 -1.31 1.88 -0.07 0.52 0.00 0.00 175.17 176.19 3mkq h LEU 710 N 12.16 0.38 -0.56 -1.34 3.38 -1.90 -0.75 115.31 126.68 3mkq h LEU 710 Ca 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3mkq h LEU 710 Cb 0.97 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3mkq h LEU 710 CO 1.37 0.50 0.28 -0.08 0.09 0.00 0.00 178.44 180.61 3mkq h GLU 711 N 0.39 0.80 0.00 1.13 4.57 -1.97 -0.91 114.58 118.58 3mkq h GLU 711 Ca 0.08 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3mkq h GLU 711 Cb 0.37 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3mkq h GLU 711 CO 0.02 0.64 -0.00 0.77 -1.18 0.00 0.00 179.01 179.26 3mkq h SER 712 N 0.76 -0.00 -0.61 1.04 0.02 -1.90 -3.27 113.55 109.59 3mkq h SER 712 Ca 0.19 -0.77 0.16 0.00 -0.84 0.00 0.00 61.79 60.54 3mkq h SER 712 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3mkq h SER 712 CO -0.03 0.77 0.43 0.25 -1.14 0.00 0.00 176.83 177.11 3mkq h LEU 713 N -0.77 0.09 -0.79 5.07 5.85 -1.14 0.27 115.31 123.89 3mkq h LEU 713 Ca -0.00 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 3mkq h LEU 713 Cb 0.77 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3mkq h LEU 713 CO 0.00 0.05 -0.16 0.15 -0.34 0.00 0.00 178.44 178.14 3mkq h PHE 714 N 0.10 0.82 -0.41 1.25 3.57 -1.21 -0.46 116.94 120.60 3mkq h PHE 714 Ca 0.29 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3mkq h PHE 714 Cb 1.03 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3mkq h PHE 714 CO -0.00 0.85 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.78 3mkq h LEU 715 N 0.66 0.68 -0.02 0.59 4.07 -1.01 -1.30 115.31 118.99 3mkq h LEU 715 Ca 0.11 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.83 3mkq h LEU 715 Cb 0.64 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3mkq h LEU 715 CO 0.04 0.80 -0.21 -0.07 -1.08 0.00 0.00 178.44 177.93 3mkq h LEU 716 N 0.65 0.21 -1.11 1.67 3.38 -1.23 -2.61 115.31 116.28 3mkq h LEU 716 Ca 0.12 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 3mkq h LEU 716 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3mkq h LEU 716 CO 0.03 0.91 -0.27 0.45 0.09 0.00 0.00 178.44 179.65 3mkq h HIS 717 N -0.47 0.00 0.16 1.13 3.86 -1.10 -2.26 115.15 116.48 3mkq h HIS 717 Ca -0.02 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.87 3mkq h HIS 717 Cb 0.92 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.40 3mkq h HIS 717 CO 0.17 0.27 -1.53 0.66 0.86 0.00 0.00 177.93 178.35 3mkq h SER 718 N 0.00 0.54 -0.70 2.45 4.64 -1.33 0.18 113.55 119.33 3mkq h SER 718 Ca -0.00 -0.69 -0.04 0.00 -0.47 0.00 0.00 61.79 60.59 3mkq h SER 718 Cb 0.77 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 3mkq h SER 718 CO 0.03 1.57 0.28 0.28 -0.87 0.00 0.00 176.83 178.12 3mkq h SER 719 N 0.09 0.96 0.17 4.97 0.02 -1.39 -2.67 113.55 115.70 3mkq h SER 719 Ca -0.25 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3mkq h SER 719 Cb 2.06 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.35 3mkq h SER 719 CO 0.20 0.87 -0.26 0.49 -1.14 0.00 0.00 176.83 176.98 3mkq n PHE 720 N -4.38 0.00 -3.50 3.45 3.72 -0.86 -4.99 117.46 110.90 3mkq n PHE 720 Ca 0.05 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.24 3mkq n PHE 720 Cb 0.17 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.68 3mkq n PHE 720 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3mkq n ASN 721 N -0.43 -4.25 -4.37 4.37 3.02 -0.11 -4.93 115.26 108.56 3mkq n ASN 721 Ca 0.12 -0.81 -0.45 0.00 -0.03 0.00 0.00 54.58 53.41 3mkq n ASN 721 Cb 0.37 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 3mkq n ASN 721 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3mkq s ASN 722 N -3.79 6.45 0.20 6.41 3.04 -0.29 -4.92 114.94 122.04 3mkq s ASN 722 Ca 0.28 -1.97 -0.11 0.00 0.04 0.00 0.00 52.86 51.10 3mkq s ASN 722 Cb -0.06 -2.29 0.25 0.00 -1.54 0.00 0.00 41.25 37.61 3mkq s ASN 722 CO 0.79 -0.93 1.69 0.50 -3.04 0.00 0.00 177.10 176.12 3mkq h LYS 723 N 8.67 0.18 -0.81 0.43 3.64 -1.92 -0.77 116.57 126.00 3mkq h LYS 723 Ca -0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3mkq h LYS 723 Cb 1.06 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 3mkq h LYS 723 CO 1.00 0.12 0.47 1.49 -2.27 0.00 0.00 179.45 180.25 3mkq h GLU 724 N 0.19 1.10 -0.00 1.90 4.57 -1.97 -1.28 114.58 119.08 3mkq h GLU 724 Ca 0.29 -0.11 -0.23 0.00 -1.18 0.00 0.00 59.36 58.13 3mkq h GLU 724 Cb 0.44 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3mkq h GLU 724 CO -0.42 0.79 -0.95 0.78 -1.18 0.00 0.00 179.01 178.03 3mkq h GLY 725 N 1.14 0.52 0.91 1.92 0.00 -1.78 -2.60 103.07 103.16 3mkq h GLY 725 Ca 0.29 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 3mkq h GLY 725 CO -0.05 0.80 0.05 1.41 0.00 0.00 0.00 176.54 178.74 3mkq h LEU 726 N 0.26 0.54 -0.98 3.11 4.07 -0.99 0.26 115.31 121.59 3mkq h LEU 726 Ca -0.09 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.56 3mkq h LEU 726 Cb 1.59 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 43.16 3mkq h LEU 726 CO 0.17 0.67 0.16 0.58 -1.08 0.00 0.00 178.44 178.94 3mkq h VAL 727 N 0.39 1.23 -0.23 1.22 2.07 -1.29 0.32 116.25 119.96 3mkq h VAL 727 Ca 0.10 -0.82 -0.15 0.00 0.82 0.00 0.00 66.70 66.65 3mkq h VAL 727 Cb 0.36 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3mkq h VAL 727 CO 0.01 0.31 -0.44 0.74 0.02 0.00 0.00 177.57 178.21 3mkq h THR 728 N 0.87 1.31 -0.57 2.57 2.02 -1.24 -2.56 112.91 115.31 3mkq h THR 728 Ca 0.19 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3mkq h THR 728 Cb 0.29 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3mkq h THR 728 CO -0.00 0.52 0.36 0.25 0.37 0.00 0.00 175.52 177.01 3mkq h LEU 729 N 0.42 0.67 0.06 2.58 6.46 -0.01 -1.61 115.31 123.87 3mkq h LEU 729 Ca 0.01 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3mkq h LEU 729 Cb 1.04 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 3mkq h LEU 729 CO 0.10 0.51 -0.11 0.00 -0.62 0.00 0.00 178.44 178.31 3mkq h ALA 730 N 1.19 -0.18 -0.54 1.25 0.00 -0.32 0.75 119.26 121.41 3mkq h ALA 730 Ca 0.21 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3mkq h ALA 730 Cb -0.05 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3mkq h ALA 730 CO -0.04 -0.63 0.28 0.87 0.00 0.00 0.00 179.25 179.73 3mkq h LYS 731 N -0.23 0.52 0.00 0.00 1.57 -1.30 0.16 116.57 117.29 3mkq h LYS 731 Ca 0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3mkq h LYS 731 Cb 0.25 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mkq h LYS 731 CO -0.07 0.34 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.59 3mkq h ASP 732 N 0.53 0.00 -0.13 0.86 3.32 -0.87 -2.04 116.42 118.09 3mkq h ASP 732 Ca 0.24 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 3mkq h ASP 732 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3mkq h ASP 732 CO -0.17 0.12 -0.44 0.00 -1.72 0.00 0.00 179.24 177.04 3mkq h ALA 733 N 1.88 0.73 -0.01 3.45 0.00 0.11 -2.37 119.26 123.05 3mkq h ALA 733 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3mkq h ALA 733 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3mkq h ALA 733 CO 0.02 0.67 0.00 0.93 0.00 0.00 0.00 179.25 180.86 3mkq h GLU 734 N 0.54 0.01 -1.00 0.00 5.08 -0.60 0.39 114.58 119.01 3mkq h GLU 734 Ca 0.04 -0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.63 3mkq h GLU 734 Cb 0.98 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.11 3mkq h GLU 734 CO 0.09 0.25 0.59 1.15 -1.00 0.00 0.00 179.01 180.09 3mkq h THR 735 N -0.23 0.56 -0.00 1.13 2.02 -1.38 0.63 112.91 115.64 3mkq h THR 735 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3mkq h THR 735 Cb 0.25 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3mkq h THR 735 CO 0.00 0.11 -0.09 0.41 0.37 0.00 0.00 175.52 176.32 3mkq n THR 736 N -4.87 0.00 -0.98 3.16 -1.04 -0.90 -4.92 114.28 104.73 3mkq n THR 736 Ca 0.26 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3mkq n THR 736 Cb 0.71 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3mkq n THR 736 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mkq n GLY 737 N 1.26 0.71 3.50 3.41 0.00 0.22 -4.95 105.19 109.35 3mkq n GLY 737 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3mkq n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 738 N -0.12 3.64 0.16 1.61 1.02 0.12 -4.85 119.74 121.33 3mkq s LYS 738 Ca 0.00 -1.57 -0.02 0.00 0.02 0.00 0.00 55.97 54.39 3mkq s LYS 738 Cb 0.00 -5.12 0.02 0.00 -0.52 0.00 0.00 37.83 32.20 3mkq s LYS 738 CO 0.00 -1.96 1.40 0.74 -0.92 0.00 0.00 175.35 174.61 3mkq h PHE 739 N 9.05 0.58 -0.27 3.18 -1.00 -1.92 -2.70 116.94 123.86 3mkq h PHE 739 Ca 0.20 -0.27 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 3mkq h PHE 739 Cb 1.00 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 3mkq h PHE 739 CO 1.22 1.04 0.14 -0.91 -1.61 0.00 0.00 178.31 178.19 3mkq h ASN 740 N 0.28 0.33 -0.12 2.17 2.35 -1.96 -0.94 115.58 117.69 3mkq h ASN 740 Ca -0.04 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3mkq h ASN 740 Cb 1.36 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 3mkq h ASN 740 CO 0.13 0.33 0.05 0.25 -1.65 0.00 0.00 177.43 176.54 3mkq h LEU 741 N 0.31 0.06 -0.55 1.61 5.85 -1.97 -1.01 115.31 119.62 3mkq h LEU 741 Ca 0.09 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3mkq h LEU 741 Cb 0.07 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3mkq h LEU 741 CO -0.01 0.06 0.23 0.00 -0.34 0.00 0.00 178.44 178.37 3mkq h ALA 742 N 1.07 0.70 0.43 1.25 0.00 -1.22 0.42 119.26 121.90 3mkq h ALA 742 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3mkq h ALA 742 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mkq h ALA 742 CO -0.04 -0.16 -0.21 0.35 0.00 0.00 0.00 179.25 179.19 3mkq h PHE 743 N 0.43 -0.53 -0.64 0.00 3.57 -0.85 -1.53 116.94 117.39 3mkq h PHE 743 Ca 0.27 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.86 3mkq h PHE 743 Cb 0.27 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 3mkq h PHE 743 CO -0.15 -0.25 0.21 -0.91 -2.23 0.00 0.00 178.31 174.98 3mkq h ASN 744 N -0.73 0.16 -0.04 0.41 2.35 -0.85 0.44 115.58 117.32 3mkq h ASN 744 Ca -0.06 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3mkq h ASN 744 Cb 0.52 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3mkq h ASN 744 CO 0.10 0.08 -0.03 0.00 -1.65 0.00 0.00 177.43 175.93 3mkq h ALA 745 N 1.47 0.00 -0.54 -0.83 0.00 -0.84 0.93 119.26 119.44 3mkq h ALA 745 Ca 0.33 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3mkq h ALA 745 Cb 0.46 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3mkq h ALA 745 CO -0.36 -0.52 0.31 1.88 0.00 0.00 0.00 179.25 180.57 3mkq h TYR 746 N -0.04 0.59 -0.32 0.00 0.99 -0.31 -1.76 116.97 116.11 3mkq h TYR 746 Ca 0.03 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 3mkq h TYR 746 Cb 0.08 -0.18 -0.01 0.00 1.00 0.00 0.00 36.73 37.61 3mkq h TYR 746 CO -0.13 0.32 0.16 2.35 -0.00 0.00 0.00 178.16 180.87 3mkq h TRP 747 N 0.62 0.45 -0.41 4.88 2.91 0.33 -0.83 115.95 123.89 3mkq h TRP 747 Ca 0.23 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.16 3mkq h TRP 747 Cb 0.06 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 3mkq h TRP 747 CO -0.07 0.38 -0.04 0.82 -1.03 0.00 0.00 178.44 178.49 3mkq h ILE 748 N 0.38 1.24 0.00 2.65 1.08 -0.67 -2.38 117.51 119.80 3mkq h ILE 748 Ca 0.11 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 3mkq h ILE 748 Cb 0.09 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3mkq h ILE 748 CO -0.02 0.34 0.00 0.00 -0.69 0.00 0.00 178.15 177.79 3mkq n ALA 749 N -2.48 2.13 -0.96 1.87 0.00 -0.68 -4.87 120.51 115.52 3mkq n ALA 749 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3mkq n ALA 749 Cb 0.31 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3mkq n ALA 749 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mkq n GLY 750 N 0.47 0.51 3.55 0.00 0.00 -0.90 -4.96 105.19 103.87 3mkq n GLY 750 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3mkq n GLY 750 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mkq s ASP 751 N -2.25 6.64 0.14 1.61 -1.08 -0.37 -4.82 116.67 116.55 3mkq s ASP 751 Ca 0.00 -1.87 -0.07 0.00 -0.52 0.00 0.00 52.55 50.09 3mkq s ASP 751 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 3mkq s ASP 751 CO 0.00 -1.32 1.38 0.40 0.52 0.00 0.00 175.17 176.14 3mkq h ILE 752 N 6.24 1.33 -0.44 4.11 1.08 -1.93 -2.34 117.51 125.57 3mkq h ILE 752 Ca 0.27 -2.06 0.05 0.00 -0.39 0.00 0.00 64.86 62.73 3mkq h ILE 752 Cb 0.97 2.04 -0.04 0.00 -3.07 0.00 0.00 36.82 36.72 3mkq h ILE 752 CO 1.39 0.63 0.18 1.56 -0.69 0.00 0.00 178.15 181.22 3mkq h GLN 753 N 0.40 0.35 0.36 2.37 1.08 -1.97 0.55 115.11 118.25 3mkq h GLN 753 Ca -0.04 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3mkq h GLN 753 Cb 1.35 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3mkq h GLN 753 CO 0.14 0.23 -0.22 0.78 -0.95 0.00 0.00 178.83 178.81 3mkq h GLY 754 N 0.36 -0.58 0.79 3.46 0.00 -1.95 -0.49 103.07 104.67 3mkq h GLY 754 Ca 0.20 0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.82 3mkq h GLY 754 CO -0.18 -0.22 0.49 0.00 0.00 0.00 0.00 176.54 176.63 3mkq h ALA 755 N 0.06 1.07 -0.18 3.60 0.00 -1.02 -1.53 119.26 121.25 3mkq h ALA 755 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mkq h ALA 755 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3mkq h ALA 755 CO 0.04 0.26 0.12 -0.22 0.00 0.00 0.00 179.25 179.44 3mkq h LYS 756 N 0.93 0.23 0.00 0.00 3.64 0.37 -2.29 116.57 119.45 3mkq h LYS 756 Ca 0.33 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3mkq h LYS 756 Cb 0.10 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3mkq h LYS 756 CO -0.14 0.16 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.61 3mkq h ASP 757 N 0.24 0.00 0.40 4.20 3.32 -0.64 -2.25 116.42 121.68 3mkq h ASP 757 Ca 0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 3mkq h ASP 757 Cb -0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3mkq h ASP 757 CO -0.01 0.15 -0.65 0.25 -1.72 0.00 0.00 179.24 177.26 3mkq h LEU 758 N 0.00 0.27 -0.17 1.55 5.85 -0.76 -1.40 115.31 120.65 3mkq h LEU 758 Ca -0.00 -0.17 -0.23 0.00 0.84 0.00 0.00 57.88 58.33 3mkq h LEU 758 Cb 0.38 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3mkq h LEU 758 CO 0.02 0.84 -0.95 -0.07 -0.34 0.00 0.00 178.44 177.94 3mkq h LEU 759 N 0.17 0.52 -0.41 2.25 3.38 -0.91 -3.10 115.31 117.21 3mkq h LEU 759 Ca -0.01 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3mkq h LEU 759 Cb 1.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3mkq h LEU 759 CO 0.10 1.22 -0.32 0.40 0.09 0.00 0.00 178.44 179.93 3mkq h ILE 760 N 0.22 1.27 0.00 1.22 2.04 -1.36 0.38 117.51 121.28 3mkq h ILE 760 Ca -0.08 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.28 3mkq h ILE 760 Cb 1.59 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3mkq h ILE 760 CO 0.16 0.50 0.00 0.11 0.00 0.00 0.00 178.15 178.93 3mkq h LYS 761 N 0.77 0.00 -0.67 2.37 1.57 -1.30 0.42 116.57 119.73 3mkq h LYS 761 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3mkq h LYS 761 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3mkq h LYS 761 CO 0.09 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.40 3mkq n SER 762 N -2.98 3.84 -3.17 0.86 7.64 -1.04 -4.95 113.62 113.83 3mkq n SER 762 Ca -0.01 -2.00 -0.22 0.00 1.01 0.00 0.00 58.87 57.65 3mkq n SER 762 Cb 0.18 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 62.99 3mkq n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mkq n GLN 763 N 1.57 -6.03 -3.54 1.43 6.02 0.14 -4.95 117.38 112.01 3mkq n GLN 763 Ca 0.23 0.86 -0.36 0.00 -0.01 0.00 0.00 57.00 57.72 3mkq n GLN 763 Cb 0.61 -5.74 -0.06 0.00 1.02 0.00 0.00 30.24 26.07 3mkq n GLN 763 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3mkq n ARG 764 N -4.34 2.85 0.03 -1.09 1.74 0.13 -4.89 116.66 111.09 3mkq n ARG 764 Ca -0.06 -4.51 -0.20 0.00 -0.77 0.00 0.00 57.85 52.31 3mkq n ARG 764 Cb 0.59 -2.41 -0.10 0.00 -1.02 0.00 0.00 32.46 29.52 3mkq n ARG 764 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3mkq h PHE 765 N 5.76 1.02 -0.48 -1.55 -1.00 -1.91 -2.35 116.94 116.43 3mkq h PHE 765 Ca 0.17 -0.55 0.05 0.00 2.81 0.00 0.00 57.97 60.45 3mkq h PHE 765 Cb 0.78 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.17 3mkq h PHE 765 CO 0.75 1.38 0.21 0.66 -1.61 0.00 0.00 178.31 179.71 3mkq h SER 766 N 0.36 0.28 -0.31 2.17 4.64 -1.97 0.50 113.55 119.22 3mkq h SER 766 Ca -0.12 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 3mkq h SER 766 Cb 1.65 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 3mkq h SER 766 CO 0.20 0.20 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.74 3mkq h GLU 767 N 0.42 0.82 -0.81 4.77 5.08 -1.98 -2.20 114.58 120.68 3mkq h GLU 767 Ca 0.22 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3mkq h GLU 767 Cb 0.16 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3mkq h GLU 767 CO -0.18 1.00 0.51 0.00 -1.00 0.00 0.00 179.01 179.34 3mkq h ALA 768 N 0.97 1.36 -0.14 3.43 0.00 -0.84 0.27 119.26 124.31 3mkq h ALA 768 Ca 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3mkq h ALA 768 Cb 0.83 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3mkq h ALA 768 CO 0.07 0.57 -0.34 0.00 0.00 0.00 0.00 179.25 179.55 3mkq h ALA 769 N 1.44 1.16 -0.06 0.00 0.00 -0.63 -1.11 119.26 120.07 3mkq h ALA 769 Ca 0.29 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3mkq h ALA 769 Cb -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mkq h ALA 769 CO -0.06 0.55 -0.50 0.74 0.00 0.00 0.00 179.25 179.98 3mkq h PHE 770 N 0.25 0.62 0.64 0.00 -1.00 -0.70 -2.15 116.94 114.60 3mkq h PHE 770 Ca 0.03 -0.29 -0.02 0.00 2.81 0.00 0.00 57.97 60.49 3mkq h PHE 770 Cb 0.72 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 3mkq h PHE 770 CO 0.01 1.08 -0.48 1.25 -1.61 0.00 0.00 178.31 178.56 3mkq h LEU 771 N -0.02 -1.26 -0.37 1.54 5.85 -0.83 0.32 115.31 120.53 3mkq h LEU 771 Ca -0.05 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3mkq h LEU 771 Cb 1.18 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 3mkq h LEU 771 CO 0.10 -0.69 -0.21 1.23 -0.34 0.00 0.00 178.44 178.53 3mkq h GLY 772 N -1.07 0.02 0.71 3.75 0.00 -1.30 -1.28 103.07 103.91 3mkq h GLY 772 Ca -0.08 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3mkq h GLY 772 CO 0.03 -0.20 -0.06 1.48 0.00 0.00 0.00 176.54 177.79 3mkq h SER 773 N -0.15 -0.14 -0.18 0.19 4.64 -1.26 0.21 113.55 116.86 3mkq h SER 773 Ca 0.18 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3mkq h SER 773 Cb 0.44 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3mkq h SER 773 CO -0.46 0.16 0.16 0.74 -0.87 0.00 0.00 176.83 176.56 3mkq h THR 774 N -0.46 0.67 -0.63 2.95 2.02 -0.20 -2.37 112.91 114.88 3mkq h THR 774 Ca -0.02 0.00 -0.42 0.00 0.77 0.00 0.00 66.41 66.74 3mkq h THR 774 Cb 0.37 0.88 -0.27 0.00 -1.74 0.00 0.00 68.15 67.39 3mkq h THR 774 CO 0.03 0.00 -0.18 -1.22 0.37 0.00 0.00 175.52 174.52 3mkq n TYR 775 N -4.11 2.15 -3.97 3.16 4.02 -0.50 -4.99 117.16 112.92 3mkq n TYR 775 Ca 0.01 -2.14 -0.33 0.00 -0.01 0.00 0.00 57.90 55.44 3mkq n TYR 775 Cb 0.28 -0.63 -0.01 0.00 -0.02 0.00 0.00 39.34 38.97 3mkq n TYR 775 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mkq n GLY 776 N -0.93 -0.55 0.19 2.72 0.00 -0.89 -4.87 105.19 100.86 3mkq n GLY 776 Ca 0.43 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.80 3mkq n GLY 776 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mkq h LEU 777 N -2.03 0.00 0.00 0.99 3.38 -0.81 -3.49 115.31 113.34 3mkq h LEU 777 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3mkq h LEU 777 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3mkq h LEU 777 CO 0.58 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.05 3mkq n GLY 778 N 0.41 2.26 0.35 0.83 0.00 -1.26 -4.56 105.19 103.21 3mkq n GLY 778 Ca 0.00 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.60 3mkq n GLY 778 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mkq h ASP 779 N 0.00 -0.64 -0.88 1.61 5.19 -1.97 0.56 116.42 120.29 3mkq h ASP 779 Ca 0.00 0.28 0.07 0.00 -0.62 0.00 0.00 57.03 56.77 3mkq h ASP 779 Cb 0.00 0.53 -0.07 0.00 0.18 0.00 0.00 39.33 39.97 3mkq h ASP 779 CO 0.00 -0.34 0.54 0.78 -3.12 0.00 0.00 179.24 177.10 3mkq h ASN 780 N 0.01 0.84 0.15 6.45 4.21 -2.00 0.13 115.58 125.37 3mkq h ASN 780 Ca 0.55 0.02 -0.27 0.00 1.21 0.00 0.00 56.30 57.81 3mkq h ASN 780 Cb 1.03 -0.15 0.02 0.00 -1.12 0.00 0.00 38.32 38.10 3mkq h ASN 780 CO -0.95 0.53 -1.09 -0.33 -1.29 0.00 0.00 177.43 174.30 3mkq h GLU 781 N 0.97 0.59 -0.99 0.81 5.08 -1.20 -2.74 114.58 117.10 3mkq h GLU 781 Ca 0.39 -0.69 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3mkq h GLU 781 Cb 0.22 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3mkq h GLU 781 CO -0.19 1.28 0.64 0.28 -1.00 0.00 0.00 179.01 180.03 3mkq h VAL 782 N 0.31 1.26 -0.10 3.13 2.07 -0.76 -2.21 116.25 119.94 3mkq h VAL 782 Ca -0.14 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 3mkq h VAL 782 Cb 1.75 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3mkq h VAL 782 CO 0.20 0.26 -0.58 0.78 0.02 0.00 0.00 177.57 178.25 3mkq h ASN 783 N 1.35 0.37 0.37 0.57 2.35 -1.00 -1.42 115.58 118.17 3mkq h ASN 783 Ca 0.36 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3mkq h ASN 783 Cb -0.13 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3mkq h ASN 783 CO -0.08 0.87 -0.17 -0.78 -1.65 0.00 0.00 177.43 175.62 3mkq h ASP 784 N 0.25 0.00 0.03 5.81 1.82 -1.12 -0.82 116.42 122.40 3mkq h ASP 784 Ca -0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 3mkq h ASP 784 Cb 1.09 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.11 3mkq h ASP 784 CO 0.10 0.17 -0.46 0.40 -1.61 0.00 0.00 179.24 177.84 3mkq h ILE 785 N 0.00 1.53 -0.55 2.25 2.04 -1.02 -3.24 117.51 118.52 3mkq h ILE 785 Ca -0.00 -2.16 0.06 0.00 1.00 0.00 0.00 64.86 63.75 3mkq h ILE 785 Cb 0.40 2.88 -0.05 0.00 -0.74 0.00 0.00 36.82 39.31 3mkq h ILE 785 CO 0.02 0.60 0.27 0.58 0.00 0.00 0.00 178.15 179.62 3mkq h VAL 786 N -0.40 0.92 -0.78 1.67 2.07 -0.53 -0.46 116.25 118.74 3mkq h VAL 786 Ca -0.07 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3mkq h VAL 786 Cb 1.24 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3mkq h VAL 786 CO 0.09 0.09 0.51 0.71 0.02 0.00 0.00 177.57 178.99 3mkq h THR 787 N 0.51 1.20 0.00 2.57 1.35 -1.29 0.50 112.91 117.75 3mkq h THR 787 Ca 0.25 -0.39 -0.05 0.00 -0.55 0.00 0.00 66.41 65.68 3mkq h THR 787 Cb 0.19 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.67 3mkq h THR 787 CO -0.19 0.20 -0.24 0.11 -0.25 0.00 0.00 175.52 175.14 3mkq h LYS 788 N 1.06 0.00 0.44 4.72 1.57 -1.47 0.27 116.57 123.17 3mkq h LYS 788 Ca 0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3mkq h LYS 788 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3mkq h LYS 788 CO -0.06 0.24 -0.21 2.35 -0.57 0.00 0.00 179.45 181.20 3mkq h TRP 789 N 0.00 -0.55 -0.23 -1.35 2.91 0.72 -1.53 115.95 115.92 3mkq h TRP 789 Ca -0.00 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.05 3mkq h TRP 789 Cb 0.45 0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.24 3mkq h TRP 789 CO 0.00 -0.23 -0.07 0.87 -1.03 0.00 0.00 178.44 177.98 3mkq h LYS 790 N -0.93 -0.02 -0.08 2.65 1.57 0.36 -1.27 116.57 118.86 3mkq h LYS 790 Ca -0.06 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3mkq h LYS 790 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3mkq h LYS 790 CO 0.10 -0.01 -0.38 1.49 -0.57 0.00 0.00 179.45 180.07 3mkq h GLU 791 N -0.02 -0.47 -0.95 3.15 4.81 -0.46 -1.03 114.58 119.61 3mkq h GLU 791 Ca 0.11 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3mkq h GLU 791 Cb 0.19 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3mkq h GLU 791 CO -0.25 -0.31 0.59 -0.97 -0.73 0.00 0.00 179.01 177.34 3mkq h ASN 792 N -0.49 0.91 0.68 1.04 -0.73 -1.06 0.12 115.58 116.05 3mkq h ASN 792 Ca 0.07 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 3mkq h ASN 792 Cb 0.61 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 3mkq h ASN 792 CO -0.35 0.54 -0.45 0.25 -0.37 0.00 0.00 177.43 177.05 3mkq h LEU 793 N 1.02 -1.14 -1.51 0.34 5.85 -0.31 -0.29 115.31 119.28 3mkq h LEU 793 Ca 0.44 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.34 3mkq h LEU 793 Cb 0.31 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3mkq h LEU 793 CO -0.22 -0.68 0.48 0.40 -0.34 0.00 0.00 178.44 178.08 3mkq h ILE 794 N -1.07 0.88 0.00 4.05 2.04 -0.96 0.93 117.51 123.38 3mkq h ILE 794 Ca -0.09 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3mkq h ILE 794 Cb 0.87 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3mkq h ILE 794 CO 0.07 0.10 -0.00 0.25 0.00 0.00 0.00 178.15 178.56 3mkq h LEU 795 N 0.53 0.00 -3.53 1.44 5.85 -0.29 -1.28 115.31 118.03 3mkq h LEU 795 Ca 0.34 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.91 3mkq h LEU 795 Cb 0.61 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.55 3mkq h LEU 795 CO -0.12 0.00 0.13 0.59 -0.34 0.00 0.00 178.44 178.71 3mkq n ASN 796 N -3.10 4.10 -0.01 1.25 3.02 0.31 -4.93 115.26 115.91 3mkq n ASN 796 Ca -0.00 -3.28 -0.00 0.00 -0.03 0.00 0.00 54.58 51.26 3mkq n ASN 796 Cb 0.25 -0.67 -0.00 0.00 -0.61 0.00 0.00 39.78 38.75 3mkq n ASN 796 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mkq n GLY 797 N -0.46 0.10 2.56 7.41 0.00 -0.48 -4.88 105.19 109.44 3mkq n GLY 797 Ca 0.34 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 3mkq n GLY 797 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mkq n LYS 798 N 0.25 5.00 0.29 1.61 5.02 -0.63 -4.70 118.16 125.00 3mkq n LYS 798 Ca -0.00 -4.03 0.15 0.00 -2.02 0.00 0.00 58.31 52.40 3mkq n LYS 798 Cb 0.41 -2.56 0.88 0.00 -0.02 0.00 0.00 35.03 33.74 3mkq n LYS 798 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3mkq h ASN 799 N 4.42 0.00 0.60 4.39 4.21 -1.85 -2.49 115.58 124.85 3mkq h ASN 799 Ca 0.63 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 58.11 3mkq h ASN 799 Cb 0.31 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.52 3mkq h ASN 799 CO 1.34 0.03 -0.29 0.74 -1.29 0.00 0.00 177.43 177.96 3mkq h THR 800 N 0.00 0.00 -0.90 2.81 2.02 -1.97 -3.25 112.91 111.62 3mkq h THR 800 Ca -0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3mkq h THR 800 Cb 0.07 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.44 3mkq h THR 800 CO 0.00 0.00 0.54 0.58 0.37 0.00 0.00 175.52 177.01 3mkq h VAL 801 N -1.15 1.25 -0.74 3.16 2.07 -1.94 -2.97 116.25 115.92 3mkq h VAL 801 Ca -0.08 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.04 3mkq h VAL 801 Cb 0.61 -0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 3mkq h VAL 801 CO 0.13 0.26 0.28 0.77 0.02 0.00 0.00 177.57 179.04 3mkq h SER 802 N 1.24 0.24 0.61 0.57 4.64 -1.54 0.31 113.55 119.62 3mkq h SER 802 Ca 0.32 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3mkq h SER 802 Cb -0.05 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3mkq h SER 802 CO -0.06 0.08 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 3mkq n GLU 803 N -5.02 0.16 0.02 4.77 1.02 -1.12 -3.07 120.64 117.39 3mkq n GLU 803 Ca 0.14 0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.41 3mkq n GLU 803 Cb 0.42 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 3mkq n GLU 803 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mkq n ARG 804 N -1.40 0.64 -1.70 3.49 1.74 0.10 -4.92 116.66 114.62 3mkq n ARG 804 Ca 0.08 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.79 3mkq n ARG 804 Cb 0.23 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 3mkq n ARG 804 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mkq s VAL 805 N -3.10 3.10 0.80 1.55 1.01 -0.84 -4.98 120.40 117.95 3mkq s VAL 805 Ca -0.05 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 3mkq s VAL 805 Cb 0.10 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.44 3mkq s VAL 805 CO 0.83 -0.05 1.11 0.00 0.00 0.00 0.00 175.10 177.00 3mkq n GLY 807 N -2.42 2.24 0.28 0.00 0.00 -1.26 -4.91 105.19 99.12 3mkq n GLY 807 Ca 0.07 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 3mkq n GLY 807 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mkq h ALA 808 N 0.51 0.19 0.00 4.61 0.00 -1.88 0.41 119.26 123.11 3mkq h ALA 808 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mkq h ALA 808 Cb 0.25 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3mkq h ALA 808 CO 0.08 -0.54 0.27 0.93 0.00 0.00 0.00 179.25 180.00 3mkq h GLU 809 N -0.09 0.00 0.01 0.00 3.07 -1.94 0.24 114.58 115.87 3mkq h GLU 809 Ca 0.26 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.92 3mkq h GLU 809 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3mkq h GLU 809 CO -0.63 0.00 -0.91 0.78 -1.40 0.00 0.00 179.01 176.85 3mkq h GLY 810 N 0.00 0.21 -3.44 -3.84 0.00 -0.53 -3.45 103.07 92.02 3mkq h GLY 810 Ca 0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 47.33 46.40 3mkq h GLY 810 CO 0.00 0.34 0.68 1.08 0.00 0.00 0.00 176.54 178.64 3mkq s LEU 811 N -7.36 4.14 -0.57 3.11 1.43 0.83 -4.94 118.68 115.33 3mkq s LEU 811 Ca -0.03 2.86 -0.23 0.00 -1.03 0.00 0.00 54.13 55.70 3mkq s LEU 811 Cb 0.10 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.45 3mkq s LEU 811 CO 0.83 -1.09 0.88 -2.16 0.23 0.00 0.00 176.35 175.05 3mkq s PRO 812 N -2.39 3.24 0.00 1.29 0.04 -1.26 -5.05 135.00 130.87 3mkq s PRO 812 Ca 0.60 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.12 3mkq s PRO 812 Cb -0.42 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.02 3mkq s PRO 812 CO 0.55 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.49