#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8e n ARG 40 N 0.00 -4.67 -1.66 -1.46 0.63 -1.26 -4.99 116.66 103.25 1u8e n ARG 40 Ca 0.00 3.46 -0.29 0.00 -0.92 0.00 0.00 57.85 60.10 1u8e n ARG 40 Cb 0.00 -4.60 0.13 0.00 0.45 0.00 0.00 32.46 28.43 1u8e n ARG 40 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1u8e s LYS 41 N -0.71 1.29 0.63 -0.14 0.00 -1.25 -4.50 119.74 115.06 1u8e s LYS 41 Ca -0.11 0.18 0.04 0.00 0.00 0.00 0.00 55.97 56.08 1u8e s LYS 41 Cb 0.01 -1.87 0.09 0.00 0.00 0.00 0.00 37.83 36.07 1u8e s LYS 41 CO 0.29 -2.07 0.87 0.95 0.00 0.00 0.00 175.35 175.38 1u8e s THR 42 N -3.41 2.25 -0.69 3.79 -4.23 -1.26 -1.07 115.64 111.02 1u8e s THR 42 Ca 0.64 -0.79 -0.24 0.00 -1.18 0.00 0.00 61.69 60.13 1u8e s THR 42 Cb -0.13 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.31 1u8e s THR 42 CO 0.52 0.00 1.05 -0.47 -0.54 0.00 0.00 174.62 175.18 1u8e s TYR 43 N -2.87 2.57 0.57 3.99 5.04 -1.26 -4.84 117.35 120.55 1u8e s TYR 43 Ca 0.63 -0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 54.72 1u8e s TYR 43 Cb -0.06 -4.39 -0.05 0.00 0.35 0.00 0.00 41.96 37.81 1u8e s TYR 43 CO 0.41 -1.76 0.97 0.95 -1.34 0.00 0.00 175.55 174.77 1u8e s THR 44 N 4.50 4.71 0.27 4.34 -4.23 -1.26 -4.12 115.64 119.85 1u8e s THR 44 Ca 0.26 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1u8e s THR 44 Cb -0.14 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.12 1u8e s THR 44 CO 0.11 -0.98 1.78 0.25 -0.54 0.00 0.00 174.62 175.25 1u8e h LEU 45 N 0.10 0.67 -0.66 4.79 5.85 -1.95 0.17 115.31 124.29 1u8e h LEU 45 Ca -0.45 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1u8e h LEU 45 Cb 1.19 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1u8e h LEU 45 CO 0.62 0.30 0.37 0.74 -0.34 0.00 0.00 178.44 180.13 1u8e h THR 46 N 0.74 1.20 -0.55 1.05 2.02 -1.97 0.18 112.91 115.58 1u8e h THR 46 Ca 0.48 -0.49 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1u8e h THR 46 Cb 0.64 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 1u8e h THR 46 CO -0.33 0.22 0.22 0.44 0.37 0.00 0.00 175.52 176.44 1u8e h ASP 47 N 0.90 0.26 0.28 4.18 3.45 -1.09 0.85 116.42 125.25 1u8e h ASP 47 Ca 0.23 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.74 1u8e h ASP 47 Cb 0.02 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1u8e h ASP 47 CO -0.04 0.17 -0.13 0.22 -1.57 0.00 0.00 179.24 177.89 1u8e h TYR 48 N 0.43 -0.35 -0.22 4.55 3.20 -0.51 -1.43 116.97 122.64 1u8e h TYR 48 Ca 0.26 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1u8e h TYR 48 Cb 0.27 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1u8e h TYR 48 CO -0.14 -0.08 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.07 1u8e h LEU 49 N -0.58 0.35 -1.40 2.82 3.38 -0.20 -2.62 115.31 117.06 1u8e h LEU 49 Ca -0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1u8e h LEU 49 Cb 0.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u8e h LEU 49 CO 0.06 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.41 1u8e n LYS 50 N -4.21 1.94 -3.78 1.13 4.76 0.29 -4.95 118.16 113.33 1u8e n LYS 50 Ca -0.00 -1.39 -0.25 0.00 -2.87 0.00 0.00 58.31 53.80 1u8e n LYS 50 Cb 0.32 -1.45 0.01 0.00 -1.84 0.00 0.00 35.03 32.07 1u8e n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1u8e n ASN 51 N 0.65 -1.71 -0.17 4.39 5.15 -0.61 -4.89 115.26 118.07 1u8e n ASN 51 Ca 0.17 -0.93 -0.11 0.00 -0.60 0.00 0.00 54.58 53.12 1u8e n ASN 51 Cb 0.43 -3.57 -0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1u8e n ASN 51 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1u8e h THR 52 N -1.84 1.27 -3.29 -0.44 2.02 -1.65 -3.38 112.91 105.60 1u8e h THR 52 Ca -0.63 -1.29 -0.73 0.00 0.77 0.00 0.00 66.41 64.53 1u8e h THR 52 Cb 1.36 1.08 -0.29 0.00 -1.74 0.00 0.00 68.15 68.57 1u8e h THR 52 CO 0.57 0.45 -0.38 -0.31 0.37 0.00 0.00 175.52 176.21 1u8e s TYR 53 N -4.77 3.41 -0.15 3.16 2.02 -1.26 -5.07 117.35 114.68 1u8e s TYR 53 Ca -0.12 -1.80 -0.08 0.00 -0.37 0.00 0.00 57.07 54.70 1u8e s TYR 53 Cb 0.12 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 1u8e s TYR 53 CO 0.86 -0.98 0.13 0.50 -1.57 0.00 0.00 175.55 174.48 1u8e s ARG 54 N 1.38 3.72 -0.25 -0.62 3.52 -1.26 -5.04 118.95 120.40 1u8e s ARG 54 Ca 0.05 -0.18 -0.26 0.00 -0.13 0.00 0.00 55.73 55.21 1u8e s ARG 54 Cb -0.26 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1u8e s ARG 54 CO -0.00 0.58 0.91 -0.51 -0.81 0.00 0.00 175.30 175.47 1u8e s LEU 55 N -0.47 4.07 0.20 -0.88 1.02 -1.26 -4.79 118.68 116.58 1u8e s LEU 55 Ca 0.12 1.09 -0.30 0.00 0.02 0.00 0.00 54.13 55.06 1u8e s LEU 55 Cb -0.12 -3.31 -0.08 0.00 0.02 0.00 0.00 46.19 42.70 1u8e s LEU 55 CO 0.02 -0.61 0.96 -0.54 0.02 0.00 0.00 176.35 176.20 1u8e s LYS 56 N 3.04 4.79 0.53 1.70 1.02 -1.26 -5.05 119.74 124.51 1u8e s LYS 56 Ca 0.38 1.50 0.04 0.00 0.02 0.00 0.00 55.97 57.92 1u8e s LYS 56 Cb -0.15 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1u8e s LYS 56 CO 0.08 0.40 0.25 -0.51 -0.92 0.00 0.00 175.35 174.66 1u8e s LEU 57 N -0.83 2.58 -0.41 3.17 1.02 -1.26 -4.85 118.68 118.10 1u8e s LEU 57 Ca 0.43 -1.38 0.05 0.00 0.02 0.00 0.00 54.13 53.26 1u8e s LEU 57 Cb -0.26 -1.05 0.20 0.00 0.02 0.00 0.00 46.19 45.10 1u8e s LEU 57 CO 0.32 -0.99 0.43 0.00 0.02 0.00 0.00 176.35 176.13 1u8e n TYR 58 N -1.56 -1.05 -2.34 0.29 4.19 -1.26 -5.01 117.16 110.42 1u8e n TYR 58 Ca -0.08 -3.20 -0.42 0.00 3.31 0.00 0.00 57.90 57.51 1u8e n TYR 58 Cb 0.65 0.22 -0.03 0.00 0.49 0.00 0.00 39.34 40.67 1u8e n TYR 58 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1u8e s SER 59 N -0.28 6.97 0.10 2.98 0.15 -1.26 -5.02 113.70 117.33 1u8e s SER 59 Ca 0.33 2.04 0.04 0.00 0.70 0.00 0.00 55.95 59.06 1u8e s SER 59 Cb 0.08 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1u8e s SER 59 CO -0.17 -0.59 -0.11 -0.22 1.20 0.00 0.00 173.24 173.36 1u8e s LEU 60 N 1.72 2.40 -0.20 3.45 0.20 -1.26 -4.59 118.68 120.41 1u8e s LEU 60 Ca 0.60 -0.81 -0.03 0.00 0.69 0.00 0.00 54.13 54.59 1u8e s LEU 60 Cb -0.30 -0.33 0.06 0.00 -0.43 0.00 0.00 46.19 45.19 1u8e s LEU 60 CO 0.27 -0.25 0.05 -0.60 -0.29 0.00 0.00 176.35 175.53 1u8e s ARG 61 N -2.75 0.56 -0.11 1.98 3.00 -0.62 -4.95 118.95 116.07 1u8e s ARG 61 Ca 0.05 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.73 54.09 1u8e s ARG 61 Cb -0.03 -2.06 -0.03 0.00 0.00 0.00 0.00 34.95 32.83 1u8e s ARG 61 CO 0.00 -0.66 1.39 -1.58 0.00 0.00 0.00 175.30 174.45 1u8e s TRP 62 N 1.89 2.60 -0.04 5.12 0.52 -1.26 0.52 118.94 128.29 1u8e s TRP 62 Ca -0.00 0.75 0.20 0.00 0.02 0.00 0.00 56.10 57.07 1u8e s TRP 62 Cb -0.17 -3.64 -0.31 0.00 -1.15 0.00 0.00 33.47 28.20 1u8e s TRP 62 CO -0.09 -2.41 0.41 0.44 0.02 0.00 0.00 176.95 175.32 1u8e n ILE 63 N 5.28 0.11 -3.33 2.03 -5.35 -0.88 -4.84 119.36 112.38 1u8e n ILE 63 Ca 0.15 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1u8e n ILE 63 Cb 0.44 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1u8e n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1u8e n SER 64 N -2.25 0.00 0.00 7.28 3.41 -1.05 -4.98 113.62 116.03 1u8e n SER 64 Ca -0.06 -0.66 0.13 0.00 -0.26 0.00 0.00 58.87 58.01 1u8e n SER 64 Cb 0.58 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.88 1u8e n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1u8e n ASP 65 N -1.54 0.36 0.00 4.04 2.03 -1.26 -2.17 116.55 118.01 1u8e n ASP 65 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1u8e n ASP 65 Cb 0.00 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1u8e n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1u8e n HIS 66 N -1.52 0.00 -4.25 -0.67 -0.00 -1.26 -4.45 115.22 103.07 1u8e n HIS 66 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.60 1u8e n HIS 66 Cb 0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.22 1u8e n HIS 66 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1u8e s GLU 67 N -1.39 1.06 0.07 -0.41 2.02 -1.26 -0.63 118.70 118.15 1u8e s GLU 67 Ca 0.00 -1.30 -0.02 0.00 0.02 0.00 0.00 54.97 53.67 1u8e s GLU 67 Cb 0.00 -0.88 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 1u8e s GLU 67 CO 0.00 0.16 0.01 1.52 0.02 0.00 0.00 175.26 176.97 1u8e s TYR 68 N -2.39 0.53 -0.08 1.61 -0.85 -1.00 -2.08 117.35 113.09 1u8e s TYR 68 Ca 0.11 -1.04 -0.04 0.00 -0.52 0.00 0.00 57.07 55.59 1u8e s TYR 68 Cb -0.03 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 1u8e s TYR 68 CO 0.03 -0.42 0.08 -0.51 -1.52 0.00 0.00 175.55 173.20 1u8e s LEU 69 N -2.93 3.99 -0.25 -3.49 1.43 0.18 -0.36 118.68 117.26 1u8e s LEU 69 Ca 0.10 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1u8e s LEU 69 Cb 0.08 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1u8e s LEU 69 CO -0.08 0.37 0.05 -0.47 0.23 0.00 0.00 176.35 176.45 1u8e s TYR 70 N -1.01 1.54 -0.02 0.29 5.04 -0.09 -1.59 117.35 121.51 1u8e s TYR 70 Ca 0.16 -1.38 -0.30 0.00 -2.44 0.00 0.00 57.07 53.11 1u8e s TYR 70 Cb -0.12 -1.41 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 1u8e s TYR 70 CO 0.05 -0.75 0.99 0.21 -1.34 0.00 0.00 175.55 174.72 1u8e s LYS 71 N 1.68 4.53 -0.64 4.97 2.20 -1.26 -2.62 119.74 128.60 1u8e s LYS 71 Ca 0.03 1.43 0.02 0.00 -0.36 0.00 0.00 55.97 57.09 1u8e s LYS 71 Cb -0.17 -3.47 0.38 0.00 -1.51 0.00 0.00 37.83 33.05 1u8e s LYS 71 CO -0.15 -0.11 1.47 1.04 -0.36 0.00 0.00 175.35 177.24 1u8e n GLN 72 N 4.13 3.29 0.00 4.03 6.02 0.03 -4.92 117.38 129.97 1u8e n GLN 72 Ca 0.07 -4.19 0.00 0.00 -0.01 0.00 0.00 57.00 52.86 1u8e n GLN 72 Cb 0.50 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1u8e n GLN 72 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u8e n GLU 73 N -0.46 0.00 0.07 -1.09 4.71 -1.26 -3.65 120.64 118.97 1u8e n GLU 73 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 1u8e n GLU 73 Cb 0.46 -2.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 1u8e n GLU 73 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1u8e n ASN 74 N 0.00 0.20 -4.40 1.62 4.13 -1.26 -5.09 115.26 110.47 1u8e n ASN 74 Ca 0.00 0.24 -0.32 0.00 1.68 0.00 0.00 54.58 56.18 1u8e n ASN 74 Cb 0.00 0.09 -0.14 0.00 -1.54 0.00 0.00 39.78 38.19 1u8e n ASN 74 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1u8e s ASN 75 N -5.25 3.79 -0.42 6.41 -0.87 -1.24 -3.68 114.94 113.68 1u8e s ASN 75 Ca 0.00 -0.31 -0.11 0.00 -1.57 0.00 0.00 52.86 50.87 1u8e s ASN 75 Cb 0.00 -1.05 0.06 0.00 -0.02 0.00 0.00 41.25 40.24 1u8e s ASN 75 CO 0.00 0.27 0.28 -0.51 -2.57 0.00 0.00 177.10 174.57 1u8e s ILE 76 N -0.29 4.58 0.19 0.60 1.10 -1.05 -0.79 121.20 125.55 1u8e s ILE 76 Ca 0.02 -1.16 0.07 0.00 -0.51 0.00 0.00 60.65 59.07 1u8e s ILE 76 Cb -0.13 -3.71 -0.04 0.00 0.15 0.00 0.00 42.46 38.73 1u8e s ILE 76 CO 0.03 -0.45 0.08 -1.48 -2.11 0.00 0.00 174.94 171.01 1u8e s LEU 77 N 1.52 3.56 -0.12 8.50 2.34 -1.08 -1.27 118.68 132.13 1u8e s LEU 77 Ca 0.03 -0.30 -0.04 0.00 0.06 0.00 0.00 54.13 53.88 1u8e s LEU 77 Cb -0.22 -2.16 -0.03 0.00 -0.56 0.00 0.00 46.19 43.21 1u8e s LEU 77 CO 0.05 0.05 0.02 0.54 -1.06 0.00 0.00 176.35 175.94 1u8e s VAL 78 N -1.87 4.42 0.08 1.48 0.11 0.51 -0.92 120.40 124.21 1u8e s VAL 78 Ca 0.30 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.20 1u8e s VAL 78 Cb -0.09 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 1u8e s VAL 78 CO 0.21 0.55 0.04 -0.36 -3.33 0.00 0.00 175.10 172.22 1u8e s PHE 79 N -0.37 3.10 -0.44 1.54 0.40 0.52 -2.22 117.98 120.51 1u8e s PHE 79 Ca 0.08 0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.28 1u8e s PHE 79 Cb -0.12 -1.59 0.04 0.00 0.51 0.00 0.00 43.02 41.86 1u8e s PHE 79 CO 0.02 0.50 0.41 1.21 0.70 0.00 0.00 175.22 178.06 1u8e s ASN 80 N -2.32 6.17 0.24 1.36 3.84 -0.44 -2.38 114.94 121.41 1u8e s ASN 80 Ca 0.27 -0.90 -0.05 0.00 0.21 0.00 0.00 52.86 52.39 1u8e s ASN 80 Cb -0.12 -2.21 0.44 0.00 -0.55 0.00 0.00 41.25 38.81 1u8e s ASN 80 CO 0.20 -0.59 1.71 0.00 -2.79 0.00 0.00 177.10 175.63 1u8e h ALA 81 N 8.74 0.99 -0.39 1.71 0.00 -1.21 1.22 119.26 130.32 1u8e h ALA 81 Ca -0.27 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1u8e h ALA 81 Cb 1.11 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1u8e h ALA 81 CO 0.81 -0.26 0.03 1.49 0.00 0.00 0.00 179.25 181.32 1u8e h GLU 82 N 0.37 0.13 0.00 0.00 4.57 -1.93 -3.33 114.58 114.39 1u8e h GLU 82 Ca 0.40 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.51 1u8e h GLU 82 Cb 0.63 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1u8e h GLU 82 CO -0.43 0.09 -1.47 0.66 -1.18 0.00 0.00 179.01 176.68 1u8e n TYR 83 N -5.16 0.00 -0.44 0.92 4.02 -1.02 -5.01 117.16 110.46 1u8e n TYR 83 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1u8e n TYR 83 Cb 0.20 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 1u8e n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u8e n GLY 84 N 2.21 0.73 3.78 2.72 0.00 0.42 -5.02 105.19 110.02 1u8e n GLY 84 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1u8e n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8e s ASN 85 N -2.86 6.43 0.50 1.61 4.22 -1.25 -4.67 114.94 118.92 1u8e s ASN 85 Ca 0.00 2.20 0.02 0.00 -2.14 0.00 0.00 52.86 52.94 1u8e s ASN 85 Cb 0.00 -2.60 0.02 0.00 1.28 0.00 0.00 41.25 39.95 1u8e s ASN 85 CO 0.00 -0.73 0.15 -1.54 -2.04 0.00 0.00 177.10 172.94 1u8e n SER 86 N -0.28 3.10 -3.64 3.54 3.41 -1.26 -1.33 113.62 117.15 1u8e n SER 86 Ca 0.06 -3.01 -0.06 0.00 -0.26 0.00 0.00 58.87 55.60 1u8e n SER 86 Cb 0.49 0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.56 1u8e n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1u8e s SER 87 N -3.83 -0.29 0.07 4.04 0.01 -0.94 -4.98 113.70 107.77 1u8e s SER 87 Ca 0.11 0.55 -0.31 0.00 1.31 0.00 0.00 55.95 57.61 1u8e s SER 87 Cb -0.01 0.60 -0.08 0.00 0.21 0.00 0.00 66.02 66.75 1u8e s SER 87 CO 0.07 -0.09 1.57 -0.69 0.41 0.00 0.00 173.24 174.51 1u8e s VAL 88 N 0.24 3.16 -0.11 3.43 1.01 -1.26 -0.36 120.40 126.50 1u8e s VAL 88 Ca 0.04 0.64 0.10 0.00 0.00 0.00 0.00 61.98 62.76 1u8e s VAL 88 Cb -0.05 -3.41 -0.24 0.00 0.00 0.00 0.00 36.38 32.68 1u8e s VAL 88 CO -0.10 0.01 0.40 0.33 0.00 0.00 0.00 175.10 175.73 1u8e n PHE 89 N 5.29 0.70 -3.53 5.22 -0.00 -0.40 -4.83 117.46 119.91 1u8e n PHE 89 Ca 0.15 0.23 -0.08 0.00 -0.00 0.00 0.00 57.45 57.74 1u8e n PHE 89 Cb 0.41 -1.12 -0.08 0.00 -0.00 0.00 0.00 39.48 38.69 1u8e n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1u8e s LEU 90 N -6.10 -0.69 0.70 -2.13 2.96 -0.75 -5.04 118.68 107.63 1u8e s LEU 90 Ca -0.11 0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 54.40 1u8e s LEU 90 Cb 0.07 1.34 0.02 0.00 0.50 0.00 0.00 46.19 48.13 1u8e s LEU 90 CO 0.80 -0.25 1.18 -1.83 -1.32 0.00 0.00 176.35 174.93 1u8e s GLU 91 N 2.61 2.37 0.15 1.98 -1.05 -1.26 -2.51 118.70 120.99 1u8e s GLU 91 Ca 0.04 1.67 -0.27 0.00 -0.15 0.00 0.00 54.97 56.26 1u8e s GLU 91 Cb -0.13 -1.87 -0.00 0.00 -0.44 0.00 0.00 34.13 31.68 1u8e s GLU 91 CO -0.14 -1.64 1.58 -0.97 0.95 0.00 0.00 175.26 175.04 1u8e h ASN 92 N -0.12 -1.34 -0.04 0.83 -0.00 -1.94 -1.74 115.58 111.23 1u8e h ASN 92 Ca -0.48 0.20 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1u8e h ASN 92 Cb 1.28 0.58 0.00 0.00 -0.00 0.00 0.00 38.32 40.19 1u8e h ASN 92 CO 0.51 -0.37 0.00 -1.54 -0.00 0.00 0.00 177.43 176.03 1u8e n SER 93 N -5.42 0.29 0.03 1.15 3.41 -1.26 -4.25 113.62 107.57 1u8e n SER 93 Ca -0.01 -1.64 0.22 0.00 -0.26 0.00 0.00 58.87 57.18 1u8e n SER 93 Cb 0.35 -0.02 0.69 0.00 -0.26 0.00 0.00 64.21 64.96 1u8e n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1u8e h THR 94 N 0.36 0.28 0.00 6.66 2.02 -1.67 -2.24 112.91 118.32 1u8e h THR 94 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1u8e h THR 94 Cb 0.08 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1u8e h THR 94 CO 0.00 0.00 -0.00 0.49 0.37 0.00 0.00 175.52 176.38 1u8e n PHE 95 N -3.59 0.00 -1.16 3.16 3.72 -1.26 -5.05 117.46 113.28 1u8e n PHE 95 Ca 0.10 -0.45 -0.34 0.00 -0.05 0.00 0.00 57.45 56.71 1u8e n PHE 95 Cb 0.81 -0.05 0.11 0.00 -0.94 0.00 0.00 39.48 39.41 1u8e n PHE 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1u8e n ASP 96 N -0.46 0.29 -0.72 4.37 8.00 -0.85 -1.80 116.55 125.39 1u8e n ASP 96 Ca 0.00 0.58 -0.09 0.00 0.71 0.00 0.00 54.79 56.00 1u8e n ASP 96 Cb 0.29 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 39.94 1u8e n ASP 96 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u8e n GLU 97 N -2.42 -0.64 0.19 -1.24 1.02 -1.26 -4.86 120.64 111.43 1u8e n GLU 97 Ca 0.12 0.80 0.12 0.00 -0.02 0.00 0.00 57.16 58.18 1u8e n GLU 97 Cb 0.50 -4.69 0.22 0.00 -0.02 0.00 0.00 31.44 27.46 1u8e n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1u8e h PHE 98 N 0.00 0.00 0.00 -0.32 3.04 -1.77 -3.47 116.94 114.42 1u8e h PHE 98 Ca -0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1u8e h PHE 98 Cb 0.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1u8e h PHE 98 CO 0.25 0.00 0.00 0.41 -2.02 0.00 0.00 178.31 176.95 1u8e n GLY 99 N 1.15 0.93 3.21 2.40 0.00 -1.26 -4.98 105.19 106.65 1u8e n GLY 99 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1u8e n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8e s HIS 100 N -3.77 -0.24 0.02 1.61 3.76 -1.26 -5.13 115.29 110.28 1u8e s HIS 100 Ca 0.00 0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 55.11 1u8e s HIS 100 Cb 0.00 0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.75 1u8e s HIS 100 CO 0.00 -0.28 1.02 0.45 -0.85 0.00 0.00 174.74 175.08 1u8e s SER 101 N -0.64 7.33 -0.26 1.40 0.15 -1.26 -4.99 113.70 115.44 1u8e s SER 101 Ca -0.07 1.74 -0.27 0.00 0.70 0.00 0.00 55.95 58.05 1u8e s SER 101 Cb -0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1u8e s SER 101 CO 0.02 -0.28 0.94 -0.63 1.20 0.00 0.00 173.24 174.49 1u8e s ILE 102 N 0.91 4.73 0.01 6.45 -1.09 -1.26 -4.56 121.20 126.39 1u8e s ILE 102 Ca 0.53 1.72 0.11 0.00 -2.23 0.00 0.00 60.65 60.77 1u8e s ILE 102 Cb -0.23 -4.23 -0.15 0.00 -1.58 0.00 0.00 42.46 36.27 1u8e s ILE 102 CO 0.28 -0.19 1.16 -1.13 -1.23 0.00 0.00 174.94 173.84 1u8e h ASN 103 N 7.70 0.00 -4.38 3.58 -0.73 -0.80 -3.48 115.58 117.46 1u8e h ASN 103 Ca -0.21 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.10 1u8e h ASN 103 Cb 1.08 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 39.48 1u8e h ASN 103 CO 0.94 0.86 0.60 -0.62 -0.37 0.00 0.00 177.43 178.84 1u8e s ASP 104 N -6.46 -0.30 0.22 1.15 2.15 -1.06 -5.00 116.67 107.38 1u8e s ASP 104 Ca 0.00 0.09 0.11 0.00 0.43 0.00 0.00 52.55 53.18 1u8e s ASP 104 Cb 0.09 0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 1u8e s ASP 104 CO 0.80 -0.44 -0.22 -0.72 -0.17 0.00 0.00 175.17 174.42 1u8e s TYR 105 N -2.46 2.24 -0.32 -5.34 1.13 -1.26 -0.54 117.35 110.79 1u8e s TYR 105 Ca 0.05 -0.36 0.03 0.00 -1.41 0.00 0.00 57.07 55.38 1u8e s TYR 105 Cb -0.01 -1.05 0.17 0.00 -1.10 0.00 0.00 41.96 39.96 1u8e s TYR 105 CO -0.06 0.56 0.45 0.45 -2.51 0.00 0.00 175.55 174.45 1u8e s SER 106 N -3.01 0.10 0.29 -0.18 0.15 -0.38 -4.94 113.70 105.74 1u8e s SER 106 Ca 0.24 -0.63 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 1u8e s SER 106 Cb -0.06 1.20 -0.09 0.00 -1.71 0.00 0.00 66.02 65.35 1u8e s SER 106 CO 0.11 -0.31 1.07 -0.63 1.20 0.00 0.00 173.24 174.69 1u8e s ILE 107 N 2.25 3.58 0.67 6.45 1.01 -1.26 -0.37 121.20 133.53 1u8e s ILE 107 Ca 0.12 1.54 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 1u8e s ILE 107 Cb -0.12 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1u8e s ILE 107 CO -0.21 0.32 1.07 -0.94 0.00 0.00 0.00 174.94 175.18 1u8e s SER 108 N -1.01 5.31 0.24 3.58 1.04 0.39 -4.89 113.70 118.36 1u8e s SER 108 Ca 0.46 1.78 -0.06 0.00 0.48 0.00 0.00 55.95 58.61 1u8e s SER 108 Cb -0.30 -2.52 0.44 0.00 0.10 0.00 0.00 66.02 63.74 1u8e s SER 108 CO 0.38 -1.49 1.67 -0.65 0.98 0.00 0.00 173.24 174.13 1u8e h PRO 109 N -0.29 0.20 0.00 4.02 0.11 -1.80 0.29 132.00 134.53 1u8e h PRO 109 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u8e h PRO 109 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u8e h PRO 109 CO 0.56 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 1u8e n ASP 110 N -5.22 0.00 -2.21 -2.05 5.68 -0.87 -4.86 116.55 107.02 1u8e n ASP 110 Ca 0.14 -1.70 -0.13 0.00 -0.50 0.00 0.00 54.79 52.60 1u8e n ASP 110 Cb 0.46 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 1u8e n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u8e n GLY 111 N 0.47 -0.15 0.07 6.12 0.00 0.10 -4.82 105.19 106.99 1u8e n GLY 111 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1u8e n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u8e n GLN 112 N -2.60 0.66 -4.20 1.61 6.02 -1.26 -4.91 117.38 112.69 1u8e n GLN 112 Ca -0.14 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.70 1u8e n GLN 112 Cb 0.57 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 1u8e n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1u8e s PHE 113 N -2.95 1.19 -0.06 1.08 0.08 -1.26 -0.56 117.98 115.51 1u8e s PHE 113 Ca -0.07 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.37 1u8e s PHE 113 Cb 0.09 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.92 1u8e s PHE 113 CO 0.85 0.06 -0.09 -1.50 -0.10 0.00 0.00 175.22 174.43 1u8e s ILE 114 N -2.41 0.90 -0.32 0.64 2.07 -0.94 -0.46 121.20 120.69 1u8e s ILE 114 Ca 0.07 -0.33 -0.20 0.00 -1.41 0.00 0.00 60.65 58.78 1u8e s ILE 114 Cb -0.03 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.70 1u8e s ILE 114 CO 0.01 0.30 0.60 -0.22 -1.91 0.00 0.00 174.94 173.73 1u8e s LEU 115 N 0.80 4.19 -0.27 8.50 2.96 0.50 -0.81 118.68 134.56 1u8e s LEU 115 Ca -0.12 0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 1u8e s LEU 115 Cb -0.15 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 1u8e s LEU 115 CO 0.02 -0.49 0.41 -0.76 -1.32 0.00 0.00 176.35 174.21 1u8e s LEU 116 N 2.58 4.05 -0.24 -0.68 1.43 0.12 -1.25 118.68 124.68 1u8e s LEU 116 Ca 0.24 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 1u8e s LEU 116 Cb -0.15 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1u8e s LEU 116 CO 0.12 -0.22 0.12 -0.70 0.23 0.00 0.00 176.35 175.91 1u8e s GLU 117 N 2.14 3.88 0.29 1.70 2.12 0.29 -1.74 118.70 127.38 1u8e s GLU 117 Ca 0.17 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 1u8e s GLU 117 Cb -0.16 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 1u8e s GLU 117 CO 0.10 -0.05 0.33 1.52 -0.54 0.00 0.00 175.26 176.62 1u8e s TYR 118 N 1.31 1.17 -1.45 5.30 1.13 -0.60 0.01 117.35 124.22 1u8e s TYR 118 Ca 0.06 -1.33 -0.08 0.00 -1.41 0.00 0.00 57.07 54.31 1u8e s TYR 118 Cb -0.15 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.38 1u8e s TYR 118 CO 0.05 -0.91 0.95 0.09 -2.51 0.00 0.00 175.55 173.23 1u8e n ASN 119 N -0.98 -6.23 -4.76 -0.18 3.02 -1.26 0.10 115.26 104.97 1u8e n ASN 119 Ca 0.03 -0.45 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 1u8e n ASN 119 Cb 0.63 -4.95 0.02 0.00 -0.61 0.00 0.00 39.78 34.87 1u8e n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1u8e s TYR 120 N -3.26 2.45 -0.27 3.10 5.04 -1.26 -4.10 117.35 119.05 1u8e s TYR 120 Ca 0.48 1.29 -0.00 0.00 -2.44 0.00 0.00 57.07 56.40 1u8e s TYR 120 Cb -0.21 -3.88 0.14 0.00 0.35 0.00 0.00 41.96 38.36 1u8e s TYR 120 CO 0.60 -2.87 0.35 0.08 -1.34 0.00 0.00 175.55 172.36 1u8e s VAL 121 N -1.23 -0.53 0.87 3.14 1.01 0.47 -4.96 120.40 119.18 1u8e s VAL 121 Ca 0.63 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 1u8e s VAL 121 Cb -0.43 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.10 1u8e s VAL 121 CO 0.54 -0.30 0.85 1.17 0.00 0.00 0.00 175.10 177.37 1u8e n LYS 122 N 5.34 -0.13 0.00 2.72 4.81 -1.26 -0.79 118.16 128.85 1u8e n LYS 122 Ca -0.02 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1u8e n LYS 122 Cb 0.49 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1u8e n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1u8e n GLN 123 N -2.72 0.00 0.00 1.64 7.27 -0.94 -4.72 117.38 117.90 1u8e n GLN 123 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1u8e n GLN 123 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 1u8e n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1u8e n TRP 124 N 0.00 0.00 -0.20 3.69 5.03 -1.22 -4.98 117.44 119.76 1u8e n TRP 124 Ca 0.00 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.46 1u8e n TRP 124 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.31 1u8e n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 1u8e h ARG 125 N 0.00 0.77 0.00 -0.99 2.43 -1.98 -3.37 114.38 111.24 1u8e h ARG 125 Ca 0.00 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1u8e h ARG 125 Cb 0.00 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1u8e h ARG 125 CO 0.00 0.55 -1.55 0.72 -1.51 0.00 0.00 179.97 178.18 1u8e n HIS 126 N -4.64 0.00 -0.94 2.20 8.25 -1.26 -5.06 115.22 113.77 1u8e n HIS 126 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.19 1u8e n HIS 126 Cb 0.05 -0.38 0.13 0.00 1.12 0.00 0.00 29.99 30.92 1u8e n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1u8e s SER 127 N -4.80 3.60 -0.25 0.41 1.04 -1.26 -4.83 113.70 107.61 1u8e s SER 127 Ca -0.12 2.02 -0.37 0.00 0.48 0.00 0.00 55.95 57.96 1u8e s SER 127 Cb 0.03 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.77 1u8e s SER 127 CO 0.24 -2.65 1.40 -0.72 0.98 0.00 0.00 173.24 172.49 1u8e s TYR 128 N -2.76 -0.01 0.27 5.02 -0.85 -1.26 -2.22 117.35 115.55 1u8e s TYR 128 Ca 0.64 0.00 0.11 0.00 -0.52 0.00 0.00 57.07 57.30 1u8e s TYR 128 Cb -0.20 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 1u8e s TYR 128 CO 0.57 -0.01 -0.10 -0.08 -1.52 0.00 0.00 175.55 174.41 1u8e s THR 129 N -2.02 2.99 0.04 -3.49 -1.32 0.03 -4.69 115.64 107.18 1u8e s THR 129 Ca 0.13 -2.15 -0.27 0.00 -1.21 0.00 0.00 61.69 58.19 1u8e s THR 129 Cb 0.01 -2.59 0.10 0.00 -1.51 0.00 0.00 72.50 68.51 1u8e s THR 129 CO -0.03 -0.39 1.21 0.00 -2.21 0.00 0.00 174.62 173.20 1u8e s ALA 130 N -2.41 -2.15 0.21 11.08 0.00 -1.01 -0.40 121.76 127.08 1u8e s ALA 130 Ca 0.31 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1u8e s ALA 130 Cb -0.06 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1u8e s ALA 130 CO 0.18 -1.10 0.21 -1.12 0.00 0.00 0.00 175.76 173.93 1u8e s SER 131 N -3.41 5.72 -0.00 0.00 0.01 0.28 -1.66 113.70 114.64 1u8e s SER 131 Ca 0.22 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 1u8e s SER 131 Cb 0.01 -1.53 -0.00 0.00 0.21 0.00 0.00 66.02 64.70 1u8e s SER 131 CO -0.00 -0.00 0.07 -0.31 0.41 0.00 0.00 173.24 173.41 1u8e s TYR 132 N -1.95 0.06 0.01 2.43 1.51 -1.26 -1.56 117.35 116.58 1u8e s TYR 132 Ca 0.33 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.28 1u8e s TYR 132 Cb -0.09 -0.06 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 1u8e s TYR 132 CO 0.25 -0.18 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.94 1u8e s ASP 133 N -0.93 0.75 -0.16 2.29 1.01 -0.71 -4.30 116.67 114.62 1u8e s ASP 133 Ca -0.10 -0.23 -0.04 0.00 0.71 0.00 0.00 52.55 52.90 1u8e s ASP 133 Cb -0.06 -0.05 -0.03 0.00 1.01 0.00 0.00 42.92 43.79 1u8e s ASP 133 CO 0.00 0.00 -0.04 -0.63 0.21 0.00 0.00 175.17 174.72 1u8e s ILE 134 N -0.47 3.89 -0.29 0.77 1.01 -1.26 0.12 121.20 124.98 1u8e s ILE 134 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1u8e s ILE 134 Cb -0.04 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1u8e s ILE 134 CO -0.00 0.49 0.06 -0.47 0.00 0.00 0.00 174.94 175.03 1u8e s TYR 135 N 0.36 3.14 -0.06 3.97 5.04 0.01 -0.69 117.35 129.13 1u8e s TYR 135 Ca -0.04 -1.03 -0.30 0.00 -2.44 0.00 0.00 57.07 53.26 1u8e s TYR 135 Cb -0.14 -2.23 -0.05 0.00 0.35 0.00 0.00 41.96 39.89 1u8e s TYR 135 CO 0.03 -0.59 1.49 0.34 -1.34 0.00 0.00 175.55 175.48 1u8e s ASP 136 N 1.48 6.78 0.12 4.32 -1.08 0.28 -2.21 116.67 126.36 1u8e s ASP 136 Ca 0.02 2.09 0.16 0.00 -0.52 0.00 0.00 52.55 54.30 1u8e s ASP 136 Cb -0.17 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.66 1u8e s ASP 136 CO 0.02 -0.82 1.00 -0.07 0.52 0.00 0.00 175.17 175.81 1u8e h LEU 137 N 9.46 0.00 -1.63 -1.34 3.38 -1.09 -1.64 115.31 122.46 1u8e h LEU 137 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1u8e h LEU 137 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1u8e h LEU 137 CO 0.94 0.59 0.00 0.78 0.09 0.00 0.00 178.44 180.84 1u8e h ASN 138 N 0.00 0.00 0.00 -0.43 2.35 -1.90 -3.13 115.58 112.47 1u8e h ASN 138 Ca -0.12 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1u8e h ASN 138 Cb 1.55 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.82 1u8e h ASN 138 CO 0.06 0.00 -0.55 2.29 -1.65 0.00 0.00 177.43 177.58 1u8e n LYS 139 N -2.66 0.00 -2.96 0.81 2.85 -1.25 -4.99 118.16 109.96 1u8e n LYS 139 Ca -0.00 -1.10 -0.11 0.00 -1.05 0.00 0.00 58.31 56.05 1u8e n LYS 139 Cb 0.16 -0.24 -0.02 0.00 -0.65 0.00 0.00 35.03 34.28 1u8e n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1u8e n ARG 140 N 0.12 -2.52 -4.46 -1.58 5.12 -0.89 -4.89 116.66 107.57 1u8e n ARG 140 Ca -0.00 0.10 -0.32 0.00 -1.93 0.00 0.00 57.85 55.69 1u8e n ARG 140 Cb 0.78 -4.63 -0.10 0.00 -1.16 0.00 0.00 32.46 27.34 1u8e n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u8e s GLN 141 N -5.51 2.58 0.02 5.56 -1.52 -0.67 -4.96 119.66 115.16 1u8e s GLN 141 Ca 0.19 -0.70 -0.20 0.00 -1.95 0.00 0.00 55.36 52.70 1u8e s GLN 141 Cb -0.11 -2.52 -0.06 0.00 -0.22 0.00 0.00 33.01 30.11 1u8e s GLN 141 CO 0.23 0.61 0.56 -1.17 -0.25 0.00 0.00 175.29 175.28 1u8e s LEU 142 N -1.38 4.46 -0.16 2.90 2.96 -1.26 0.99 118.68 127.19 1u8e s LEU 142 Ca 0.17 1.17 -0.26 0.00 -0.22 0.00 0.00 54.13 54.98 1u8e s LEU 142 Cb -0.11 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 1u8e s LEU 142 CO 0.07 0.18 0.87 -0.63 -1.32 0.00 0.00 176.35 175.52 1u8e s ILE 143 N -0.56 4.86 -0.43 6.68 1.01 0.13 -4.87 121.20 128.03 1u8e s ILE 143 Ca 0.29 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.76 1u8e s ILE 143 Cb -0.18 -4.18 0.25 0.00 0.01 0.00 0.00 42.46 38.36 1u8e s ILE 143 CO 0.17 0.02 1.19 0.35 0.00 0.00 0.00 174.94 176.67 1u8e n THR 144 N 4.70 1.32 -4.44 2.92 -2.24 -1.26 -4.53 114.28 110.75 1u8e n THR 144 Ca 0.05 -1.29 -0.30 0.00 -2.27 0.00 0.00 64.05 60.24 1u8e n THR 144 Cb 0.49 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.89 1u8e n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1u8e s GLU 145 N -1.52 2.01 -1.83 -0.78 2.02 -1.26 -4.64 118.70 112.70 1u8e s GLU 145 Ca 0.20 -1.04 -0.22 0.00 0.02 0.00 0.00 54.97 53.93 1u8e s GLU 145 Cb 0.14 -2.20 0.22 0.00 0.10 0.00 0.00 34.13 32.38 1u8e s GLU 145 CO 0.08 0.52 0.66 0.39 0.02 0.00 0.00 175.26 176.93 1u8e n GLU 146 N 1.12 -1.48 -1.10 1.61 -0.58 -1.26 -4.71 120.64 114.25 1u8e n GLU 146 Ca -0.15 0.21 -0.34 0.00 -0.42 0.00 0.00 57.16 56.45 1u8e n GLU 146 Cb 0.52 -4.84 0.11 0.00 -0.57 0.00 0.00 31.44 26.66 1u8e n GLU 146 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u8e n ARG 147 N -4.15 0.13 -2.21 3.49 1.74 -1.26 -4.85 116.66 109.55 1u8e n ARG 147 Ca 0.11 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 1u8e n ARG 147 Cb 0.46 -2.11 -0.03 0.00 -1.02 0.00 0.00 32.46 29.77 1u8e n ARG 147 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u8e s ILE 148 N -2.10 3.10 0.76 0.55 1.01 -1.26 -4.96 121.20 118.30 1u8e s ILE 148 Ca 0.67 0.96 -0.15 0.00 0.00 0.00 0.00 60.65 62.13 1u8e s ILE 148 Cb -0.29 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1u8e s ILE 148 CO 0.57 0.17 0.84 -2.65 0.00 0.00 0.00 174.94 173.86 1u8e n PRO 149 N 2.09 0.30 -2.56 2.79 -0.02 -1.26 -4.53 135.00 131.81 1u8e n PRO 149 Ca 0.04 0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1u8e n PRO 149 Cb 0.43 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1u8e n PRO 149 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1u8e s ASN 150 N -1.73 6.48 -0.74 2.55 0.01 -1.26 -3.53 114.94 116.72 1u8e s ASN 150 Ca 0.69 1.82 -0.02 0.00 -0.71 0.00 0.00 52.86 54.64 1u8e s ASN 150 Cb -0.32 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.79 1u8e s ASN 150 CO 0.54 -0.68 0.27 0.59 -1.51 0.00 0.00 177.10 176.31 1u8e n ASN 151 N -1.03 -3.69 -4.76 -1.22 3.02 -1.14 -5.00 115.26 101.44 1u8e n ASN 151 Ca 0.08 -0.13 -0.40 0.00 -0.03 0.00 0.00 54.58 54.11 1u8e n ASN 151 Cb 0.53 -2.61 -0.04 0.00 -0.61 0.00 0.00 39.78 37.05 1u8e n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u8e s THR 152 N -2.81 3.60 -0.01 3.41 2.01 -0.67 -4.68 115.64 116.49 1u8e s THR 152 Ca 0.14 1.53 0.03 0.00 0.31 0.00 0.00 61.69 63.69 1u8e s THR 152 Cb -0.06 -3.94 -0.25 0.00 0.01 0.00 0.00 72.50 68.25 1u8e s THR 152 CO 0.17 0.31 0.80 1.56 -0.69 0.00 0.00 174.62 176.76 1u8e h GLN 153 N 3.60 0.14 -1.98 4.92 4.20 -1.18 -2.69 115.11 122.13 1u8e h GLN 153 Ca -0.47 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 57.96 1u8e h GLN 153 Cb 1.21 0.09 -0.21 0.00 0.30 0.00 0.00 27.48 28.87 1u8e h GLN 153 CO 0.66 0.92 0.15 -0.46 -0.67 0.00 0.00 178.83 179.44 1u8e s TRP 154 N -2.62 -0.76 -0.01 2.96 -0.11 -1.21 -4.58 118.94 112.61 1u8e s TRP 154 Ca -0.08 1.82 0.01 0.00 1.22 0.00 0.00 56.10 59.07 1u8e s TRP 154 Cb 0.08 0.29 0.01 0.00 -1.50 0.00 0.00 33.47 32.34 1u8e s TRP 154 CO 0.83 -0.39 -0.03 0.08 -4.62 0.00 0.00 176.95 172.82 1u8e s VAL 155 N 0.23 0.30 -0.08 5.86 1.01 -1.26 -0.72 120.40 125.74 1u8e s VAL 155 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1u8e s VAL 155 Cb -0.05 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1u8e s VAL 155 CO 0.01 0.12 0.18 0.42 0.00 0.00 0.00 175.10 175.83 1u8e s THR 156 N 0.30 -0.04 0.67 3.92 -4.23 -0.45 -5.01 115.64 110.80 1u8e s THR 156 Ca -0.03 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1u8e s THR 156 Cb -0.06 -0.28 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 1u8e s THR 156 CO -0.01 0.05 1.06 0.26 -0.54 0.00 0.00 174.62 175.45 1u8e s TRP 157 N 0.95 3.08 0.72 3.99 0.52 -1.26 -1.92 118.94 125.02 1u8e s TRP 157 Ca -0.07 1.45 -0.11 0.00 0.02 0.00 0.00 56.10 57.38 1u8e s TRP 157 Cb -0.09 -2.91 0.03 0.00 -1.15 0.00 0.00 33.47 29.34 1u8e s TRP 157 CO -0.05 -1.20 1.08 -1.54 0.02 0.00 0.00 176.95 175.26 1u8e s SER 158 N -3.52 4.99 0.00 2.95 1.04 -0.32 -4.89 113.70 113.95 1u8e s SER 158 Ca 0.59 1.76 0.11 0.00 0.48 0.00 0.00 55.95 58.89 1u8e s SER 158 Cb -0.14 -2.51 0.46 0.00 0.10 0.00 0.00 66.02 63.92 1u8e s SER 158 CO 0.50 -1.71 1.34 -0.81 0.98 0.00 0.00 173.24 173.54 1u8e n PRO 159 N -3.16 0.01 -3.87 4.02 -0.04 -1.26 -4.58 135.00 126.12 1u8e n PRO 159 Ca 0.09 0.31 -0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1u8e n PRO 159 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1u8e n PRO 159 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u8e s VAL 160 N -2.98 0.08 0.00 0.52 1.01 -1.26 -4.82 120.40 112.95 1u8e s VAL 160 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1u8e s VAL 160 Cb 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1u8e s VAL 160 CO 0.20 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1u8e n GLY 161 N 1.43 0.97 1.71 4.51 0.00 -1.26 -4.33 105.19 108.21 1u8e n GLY 161 Ca -0.23 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 1u8e n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u8e n HIS 162 N 12.43 -0.27 -1.85 1.61 1.44 -1.26 -2.04 115.22 125.27 1u8e n HIS 162 Ca 0.00 -0.96 -0.32 0.00 -2.01 0.00 0.00 57.72 54.43 1u8e n HIS 162 Cb 0.00 0.47 0.03 0.00 0.12 0.00 0.00 29.99 30.60 1u8e n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1u8e s LYS 163 N -0.46 3.20 0.02 -1.40 1.02 -1.26 -4.59 119.74 116.27 1u8e s LYS 163 Ca 0.14 1.06 0.05 0.00 0.02 0.00 0.00 55.97 57.24 1u8e s LYS 163 Cb 0.23 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1u8e s LYS 163 CO -0.07 -0.90 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.79 1u8e s LEU 164 N -4.96 2.12 -0.07 3.17 1.43 0.37 -1.17 118.68 119.56 1u8e s LEU 164 Ca 0.60 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1u8e s LEU 164 Cb -0.15 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.37 1u8e s LEU 164 CO 0.45 0.11 -0.00 0.00 0.23 0.00 0.00 176.35 177.14 1u8e s ALA 165 N -0.65 0.71 0.15 4.21 0.00 -0.81 0.02 121.76 125.38 1u8e s ALA 165 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1u8e s ALA 165 Cb -0.07 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1u8e s ALA 165 CO 0.01 -0.44 0.01 1.52 0.00 0.00 0.00 175.76 176.85 1u8e s TYR 166 N 1.93 1.07 -0.10 0.00 1.13 0.10 -1.34 117.35 120.14 1u8e s TYR 166 Ca 0.04 -1.06 0.03 0.00 -1.41 0.00 0.00 57.07 54.68 1u8e s TYR 166 Cb -0.12 -0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 40.12 1u8e s TYR 166 CO -0.05 -0.28 -0.22 0.08 -2.51 0.00 0.00 175.55 172.57 1u8e s VAL 167 N -3.75 2.30 -0.06 -3.49 1.01 0.11 -0.10 120.40 116.41 1u8e s VAL 167 Ca 0.22 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1u8e s VAL 167 Cb 0.06 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1u8e s VAL 167 CO 0.02 0.55 0.12 0.86 0.00 0.00 0.00 175.10 176.66 1u8e s TRP 168 N 0.25 -0.12 -1.35 5.22 -0.00 -0.11 -0.68 118.94 122.15 1u8e s TRP 168 Ca -0.14 0.44 -0.04 0.00 -0.00 0.00 0.00 56.10 56.35 1u8e s TRP 168 Cb -0.17 -0.19 0.02 0.00 -0.00 0.00 0.00 33.47 33.14 1u8e s TRP 168 CO 0.07 -0.18 0.88 0.09 -0.00 0.00 0.00 176.95 177.81 1u8e n ASN 169 N 4.58 -2.77 -0.95 5.86 5.03 -1.26 -1.77 115.26 123.99 1u8e n ASN 169 Ca -0.19 -0.74 -0.12 0.00 0.87 0.00 0.00 54.58 54.39 1u8e n ASN 169 Cb 0.51 -4.32 -0.05 0.00 -1.02 0.00 0.00 39.78 34.89 1u8e n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1u8e n ASN 170 N -3.01 -5.51 -4.34 6.41 5.03 -1.26 -4.31 115.26 108.26 1u8e n ASN 170 Ca -0.18 0.30 -0.29 0.00 0.87 0.00 0.00 54.58 55.27 1u8e n ASN 170 Cb 0.63 -4.18 -0.14 0.00 -1.02 0.00 0.00 39.78 35.06 1u8e n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1u8e s ASP 171 N -2.40 3.09 -0.09 6.41 -0.00 -0.73 -2.07 116.67 120.88 1u8e s ASP 171 Ca 0.00 -0.60 -0.21 0.00 -0.00 0.00 0.00 52.55 51.74 1u8e s ASP 171 Cb 0.00 -0.27 -0.04 0.00 -0.00 0.00 0.00 42.92 42.61 1u8e s ASP 171 CO 0.00 0.24 0.62 -0.63 -0.00 0.00 0.00 175.17 175.40 1u8e s ILE 172 N -0.83 5.09 0.08 0.77 1.01 -1.26 -0.94 121.20 125.13 1u8e s ILE 172 Ca 0.11 1.26 0.08 0.00 0.00 0.00 0.00 60.65 62.11 1u8e s ILE 172 Cb -0.10 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1u8e s ILE 172 CO 0.02 0.27 -0.22 -0.31 0.00 0.00 0.00 174.94 174.70 1u8e s TYR 173 N 0.81 1.91 -0.04 3.97 1.51 0.85 0.05 117.35 126.43 1u8e s TYR 173 Ca 0.33 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 1u8e s TYR 173 Cb -0.17 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1u8e s TYR 173 CO 0.15 0.17 -0.15 0.08 -1.11 0.00 0.00 175.55 174.69 1u8e s VAL 174 N -0.98 1.25 -0.21 0.71 1.01 0.77 -0.72 120.40 122.23 1u8e s VAL 174 Ca 0.08 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1u8e s VAL 174 Cb -0.10 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.25 1u8e s VAL 174 CO 0.03 0.36 -0.16 -0.75 0.00 0.00 0.00 175.10 174.59 1u8e s LYS 175 N 0.03 2.60 0.06 2.72 2.20 0.10 0.72 119.74 128.18 1u8e s LYS 175 Ca -0.02 -1.03 -0.17 0.00 -0.36 0.00 0.00 55.97 54.39 1u8e s LYS 175 Cb -0.10 -2.67 -0.16 0.00 -1.51 0.00 0.00 37.83 33.39 1u8e s LYS 175 CO 0.01 -0.37 1.27 0.82 -0.36 0.00 0.00 175.35 176.73 1u8e h ILE 176 N 6.30 1.35 -3.98 5.43 1.08 -1.85 0.11 117.51 125.95 1u8e h ILE 176 Ca -0.34 -1.74 -0.66 0.00 -0.39 0.00 0.00 64.86 61.73 1u8e h ILE 176 Cb 1.10 2.07 -0.31 0.00 -3.07 0.00 0.00 36.82 36.60 1u8e h ILE 176 CO 0.55 0.53 -0.87 -1.61 -0.69 0.00 0.00 178.15 176.06 1u8e s GLU 177 N -3.83 2.38 0.41 2.37 0.41 -1.26 -4.35 118.70 114.83 1u8e s GLU 177 Ca -0.13 -0.84 0.21 0.00 -0.41 0.00 0.00 54.97 53.80 1u8e s GLU 177 Cb 0.06 -2.03 1.16 0.00 -1.78 0.00 0.00 34.13 31.54 1u8e s GLU 177 CO 0.83 0.35 1.76 -1.35 -0.49 0.00 0.00 175.26 176.36 1u8e h PRO 178 N 6.11 0.33 -0.03 0.39 0.11 -1.85 -0.78 132.00 136.29 1u8e h PRO 178 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1u8e h PRO 178 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u8e h PRO 178 CO 0.47 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.75 1u8e n ASN 179 N -4.60 2.63 -4.94 -2.05 6.94 -1.26 -4.85 115.26 107.12 1u8e n ASN 179 Ca 0.26 -1.88 -0.26 0.00 -0.02 0.00 0.00 54.58 52.69 1u8e n ASN 179 Cb 0.94 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.33 1u8e n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1u8e s LEU 180 N -2.00 4.31 0.38 -4.53 1.43 -0.30 -4.56 118.68 113.42 1u8e s LEU 180 Ca 0.31 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 1u8e s LEU 180 Cb 0.20 -2.96 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 1u8e s LEU 180 CO 0.31 0.02 1.39 -0.81 0.23 0.00 0.00 176.35 177.49 1u8e n PRO 181 N -0.69 2.37 -1.37 1.29 -0.04 -1.26 -4.77 135.00 130.53 1u8e n PRO 181 Ca -0.07 0.83 -0.30 0.00 -0.04 0.00 0.00 63.50 63.92 1u8e n PRO 181 Cb 0.54 -2.53 0.09 0.00 -0.04 0.00 0.00 33.50 31.57 1u8e n PRO 181 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1u8e s SER 182 N -0.28 4.42 -0.18 3.54 0.01 -1.26 -4.75 113.70 115.21 1u8e s SER 182 Ca 0.56 1.60 -0.02 0.00 1.31 0.00 0.00 55.95 59.39 1u8e s SER 182 Cb -0.50 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.38 1u8e s SER 182 CO 0.62 -2.05 -0.08 -0.31 0.41 0.00 0.00 173.24 171.82 1u8e s TYR 183 N -2.99 2.90 0.12 2.43 1.51 0.22 -4.91 117.35 116.63 1u8e s TYR 183 Ca 0.61 -0.80 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 1u8e s TYR 183 Cb -0.16 -1.98 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 1u8e s TYR 183 CO 0.56 -0.38 0.90 0.50 -1.11 0.00 0.00 175.55 176.02 1u8e s ARG 184 N 0.92 4.67 -0.19 -0.62 3.52 -1.26 -0.16 118.95 125.82 1u8e s ARG 184 Ca -0.02 1.35 0.06 0.00 -0.13 0.00 0.00 55.73 57.00 1u8e s ARG 184 Cb -0.15 -3.35 -0.16 0.00 -1.56 0.00 0.00 34.95 29.73 1u8e s ARG 184 CO 0.00 0.29 -0.10 -0.89 -0.81 0.00 0.00 175.30 173.79 1u8e n ILE 185 N 2.55 1.17 -4.34 4.11 2.08 0.11 -4.92 119.36 120.12 1u8e n ILE 185 Ca 0.00 -0.54 -0.25 0.00 0.56 0.00 0.00 62.75 62.52 1u8e n ILE 185 Cb 0.49 -1.01 -0.12 0.00 -0.75 0.00 0.00 39.64 38.25 1u8e n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1u8e s THR 186 N -2.41 1.97 0.00 1.39 -4.23 -1.21 -4.94 115.64 106.20 1u8e s THR 186 Ca -0.21 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1u8e s THR 186 Cb 0.06 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1u8e s THR 186 CO 0.55 -0.07 0.25 0.79 -0.54 0.00 0.00 174.62 175.60 1u8e n TRP 187 N 0.79 0.00 1.58 3.99 8.01 -1.26 -4.52 117.44 126.03 1u8e n TRP 187 Ca -0.17 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.16 1u8e n TRP 187 Cb 0.54 0.00 0.60 0.00 -2.01 0.00 0.00 31.31 30.45 1u8e n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1u8e n THR 188 N -0.15 0.00 -1.63 -0.99 -2.24 -1.26 -4.94 114.28 103.07 1u8e n THR 188 Ca 0.00 -0.19 -0.46 0.00 -2.27 0.00 0.00 64.05 61.13 1u8e n THR 188 Cb 0.07 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1u8e n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8e n GLY 189 N 1.15 0.41 3.64 3.38 0.00 -1.26 -4.69 105.19 107.82 1u8e n GLY 189 Ca 0.20 0.47 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 1u8e n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u8e s LYS 190 N -0.66 0.63 -0.10 1.61 2.20 -0.95 -4.93 119.74 117.54 1u8e s LYS 190 Ca 0.67 1.29 -0.39 0.00 -0.36 0.00 0.00 55.97 57.18 1u8e s LYS 190 Cb -0.71 0.44 -0.17 0.00 -1.51 0.00 0.00 37.83 35.88 1u8e s LYS 190 CO 0.53 -0.17 1.50 -1.91 -0.36 0.00 0.00 175.35 174.94 1u8e n GLU 191 N 4.76 0.99 -0.94 4.03 2.13 -1.26 -0.24 120.64 130.11 1u8e n GLU 191 Ca -0.16 0.36 -0.03 0.00 0.66 0.00 0.00 57.16 57.99 1u8e n GLU 191 Cb 0.55 -2.00 -0.01 0.00 0.27 0.00 0.00 31.44 30.25 1u8e n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u8e n ASP 192 N 3.69 -4.98 0.02 4.31 8.00 -1.26 -4.66 116.55 121.68 1u8e n ASP 192 Ca 0.23 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1u8e n ASP 192 Cb 0.14 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1u8e n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1u8e n ILE 193 N -1.75 0.24 -4.82 0.53 2.08 -0.08 -4.69 119.36 110.88 1u8e n ILE 193 Ca -0.03 0.08 -0.27 0.00 0.56 0.00 0.00 62.75 63.09 1u8e n ILE 193 Cb 0.44 -1.25 -0.17 0.00 -0.75 0.00 0.00 39.64 37.92 1u8e n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1u8e s ILE 194 N -2.00 1.47 -0.14 1.39 -1.09 0.66 0.93 121.20 122.42 1u8e s ILE 194 Ca 0.00 -0.68 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1u8e s ILE 194 Cb 0.00 -1.30 0.01 0.00 -1.58 0.00 0.00 42.46 39.60 1u8e s ILE 194 CO 0.00 0.43 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.64 1u8e s TYR 195 N 0.49 2.44 -0.19 3.97 1.51 0.41 -2.24 117.35 123.74 1u8e s TYR 195 Ca -0.15 -1.27 0.01 0.00 -1.01 0.00 0.00 57.07 54.65 1u8e s TYR 195 Cb -0.16 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1u8e s TYR 195 CO 0.05 -0.62 -0.18 -0.80 -1.11 0.00 0.00 175.55 172.90 1u8e s ASN 196 N 1.03 3.38 0.00 2.29 0.01 -0.88 -0.38 114.94 120.38 1u8e s ASN 196 Ca -0.03 -0.72 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 1u8e s ASN 196 Cb -0.15 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.01 1u8e s ASN 196 CO -0.05 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 1u8e n GLY 197 N 4.61 1.56 3.05 0.66 0.00 -0.86 -4.17 105.19 110.04 1u8e n GLY 197 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1u8e n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u8e s ILE 198 N -2.93 0.17 0.49 -0.61 -4.36 -1.26 -0.58 121.20 112.11 1u8e s ILE 198 Ca 0.00 -1.41 -0.04 0.00 -0.26 0.00 0.00 60.65 58.93 1u8e s ILE 198 Cb 0.00 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1u8e s ILE 198 CO 0.00 -0.78 0.78 0.42 0.24 0.00 0.00 174.94 175.60 1u8e s THR 199 N -2.89 4.59 0.00 8.37 -4.23 -0.71 -4.72 115.64 116.05 1u8e s THR 199 Ca -0.03 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1u8e s THR 199 Cb 0.01 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1u8e s THR 199 CO -0.06 -0.70 0.00 -0.90 -0.54 0.00 0.00 174.62 172.42 1u8e n ASP 200 N -2.27 0.00 0.02 3.99 5.75 -1.26 -4.79 116.55 117.98 1u8e n ASP 200 Ca 0.01 -0.57 -0.13 0.00 -0.01 0.00 0.00 54.79 54.09 1u8e n ASP 200 Cb 0.56 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.56 1u8e n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1u8e h TRP 201 N -0.48 -0.02 -0.48 2.11 7.01 -1.99 -2.79 115.95 119.31 1u8e h TRP 201 Ca 0.00 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1u8e h TRP 201 Cb 0.00 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1u8e h TRP 201 CO 0.00 0.25 -0.04 -0.24 -2.79 0.00 0.00 178.44 175.63 1u8e h VAL 202 N -0.29 1.25 -0.20 2.65 3.04 -1.94 -2.55 116.25 118.22 1u8e h VAL 202 Ca -0.00 -1.08 -0.08 0.00 -1.01 0.00 0.00 66.70 64.53 1u8e h VAL 202 Cb 0.28 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1u8e h VAL 202 CO 0.00 0.38 -0.23 1.88 -1.01 0.00 0.00 177.57 178.59 1u8e h TYR 203 N 0.76 0.40 0.50 3.17 -1.99 -1.93 -0.32 116.97 117.55 1u8e h TYR 203 Ca 0.14 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1u8e h TYR 203 Cb 0.51 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1u8e h TYR 203 CO 0.03 0.57 -0.24 1.49 -0.00 0.00 0.00 178.16 180.01 1u8e h GLU 204 N 0.32 -0.65 -0.11 4.88 4.81 -1.22 0.19 114.58 122.81 1u8e h GLU 204 Ca 0.05 0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1u8e h GLU 204 Cb 0.59 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1u8e h GLU 204 CO 0.04 -0.35 -0.39 1.49 -0.73 0.00 0.00 179.01 179.07 1u8e h GLU 205 N -1.02 0.46 0.00 1.92 4.57 -1.46 -0.31 114.58 118.75 1u8e h GLU 205 Ca -0.07 -0.35 -0.34 0.00 -1.18 0.00 0.00 59.36 57.42 1u8e h GLU 205 Cb 0.60 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 1u8e h GLU 205 CO 0.11 0.97 -2.28 0.39 -1.18 0.00 0.00 179.01 177.03 1u8e n GLU 206 N -4.33 0.87 -0.07 1.92 -0.58 -0.14 -4.33 120.64 113.98 1u8e n GLU 206 Ca -0.08 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.65 1u8e n GLU 206 Cb 0.54 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.92 1u8e n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u8e n VAL 207 N -2.85 1.42 1.10 2.62 0.31 -1.16 -4.66 118.33 115.11 1u8e n VAL 207 Ca -0.34 0.21 0.12 0.00 -0.01 0.00 0.00 64.34 64.32 1u8e n VAL 207 Cb 1.04 -2.39 0.15 0.00 -0.91 0.00 0.00 33.84 31.73 1u8e n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1u8e n PHE 208 N -4.61 0.00 -4.23 3.52 3.72 0.66 -4.95 117.46 111.58 1u8e n PHE 208 Ca -0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 1u8e n PHE 208 Cb 0.28 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 1u8e n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1u8e n SER 209 N -0.39 -0.21 -3.59 4.37 7.64 -0.20 -4.83 113.62 116.40 1u8e n SER 209 Ca 0.10 -1.17 -0.08 0.00 1.01 0.00 0.00 58.87 58.73 1u8e n SER 209 Cb 0.41 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.10 1u8e n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u8e s ALA 210 N -3.76 -1.98 -0.03 -0.43 0.00 -0.76 -5.02 121.76 109.79 1u8e s ALA 210 Ca 0.33 1.60 -0.06 0.00 0.00 0.00 0.00 51.96 53.83 1u8e s ALA 210 Cb -0.19 -0.72 -0.29 0.00 0.00 0.00 0.00 23.12 21.92 1u8e s ALA 210 CO 0.93 -0.36 0.73 -0.92 0.00 0.00 0.00 175.76 176.15 1u8e h TYR 211 N 2.35 0.56 -3.94 0.00 3.20 -1.88 -3.38 116.97 113.89 1u8e h TYR 211 Ca -0.16 -0.41 -0.53 0.00 3.14 0.00 0.00 58.73 60.77 1u8e h TYR 211 Cb 1.17 -0.02 0.10 0.00 1.54 0.00 0.00 36.73 39.52 1u8e h TYR 211 CO 0.27 1.53 0.72 0.45 -1.64 0.00 0.00 178.16 179.48 1u8e s SER 212 N -7.09 6.38 -0.18 -2.11 0.15 -1.26 -1.73 113.70 107.85 1u8e s SER 212 Ca -0.13 2.90 0.19 0.00 0.70 0.00 0.00 55.95 59.61 1u8e s SER 212 Cb 0.06 -2.66 0.46 0.00 -1.71 0.00 0.00 66.02 62.18 1u8e s SER 212 CO 0.85 -0.83 1.16 0.00 1.20 0.00 0.00 173.24 175.62 1u8e n ALA 213 N 0.42 3.14 -2.91 5.45 0.00 0.25 -4.70 120.51 122.16 1u8e n ALA 213 Ca 0.02 -2.92 -0.11 0.00 0.00 0.00 0.00 53.44 50.43 1u8e n ALA 213 Cb 0.41 -0.65 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 1u8e n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1u8e s LEU 214 N -2.59 2.11 -0.20 0.00 0.05 -1.24 -1.09 118.68 115.72 1u8e s LEU 214 Ca 0.35 -0.23 -0.03 0.00 0.05 0.00 0.00 54.13 54.27 1u8e s LEU 214 Cb 0.36 0.03 0.06 0.00 -2.05 0.00 0.00 46.19 44.60 1u8e s LEU 214 CO -0.07 -0.13 0.05 0.26 -0.55 0.00 0.00 176.35 175.91 1u8e s TRP 215 N -0.67 0.91 0.52 3.48 0.51 0.29 -4.96 118.94 119.02 1u8e s TRP 215 Ca -0.07 -0.80 -0.21 0.00 -2.12 0.00 0.00 56.10 52.89 1u8e s TRP 215 Cb -0.05 -0.99 -0.06 0.00 -0.81 0.00 0.00 33.47 31.56 1u8e s TRP 215 CO -0.00 -0.61 1.20 -1.58 -0.51 0.00 0.00 176.95 175.45 1u8e s TRP 216 N 1.90 2.64 0.66 -1.98 0.52 -1.26 -1.65 118.94 119.77 1u8e s TRP 216 Ca -0.00 1.51 -0.12 0.00 0.02 0.00 0.00 56.10 57.51 1u8e s TRP 216 Cb -0.17 -3.45 -0.01 0.00 -1.15 0.00 0.00 33.47 28.69 1u8e s TRP 216 CO -0.09 -1.88 1.05 -1.54 0.02 0.00 0.00 176.95 174.51 1u8e s SER 217 N -1.42 5.58 0.29 2.95 1.04 -0.30 -4.89 113.70 116.95 1u8e s SER 217 Ca 0.69 1.63 -0.00 0.00 0.48 0.00 0.00 55.95 58.76 1u8e s SER 217 Cb -0.30 -2.50 0.69 0.00 0.10 0.00 0.00 66.02 64.01 1u8e s SER 217 CO 0.35 -1.31 1.59 1.55 0.98 0.00 0.00 173.24 176.40 1u8e h PRO 218 N -0.41 0.05 -0.01 4.02 0.13 -1.90 0.14 132.00 134.01 1u8e h PRO 218 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1u8e h PRO 218 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1u8e h PRO 218 CO 0.58 0.03 -0.35 0.27 -0.23 0.00 0.00 178.00 178.30 1u8e n ASN 219 N -5.44 1.28 0.00 1.44 6.94 -1.26 -4.45 115.26 113.78 1u8e n ASN 219 Ca 0.21 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.73 1u8e n ASN 219 Cb 0.69 0.26 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 1u8e n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u8e n GLY 220 N 1.37 0.78 0.07 4.83 0.00 0.47 -4.59 105.19 108.13 1u8e n GLY 220 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1u8e n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u8e h THR 221 N 0.00 1.42 -2.88 2.61 2.02 -1.93 -3.45 112.91 110.69 1u8e h THR 221 Ca 0.00 -1.29 -0.58 0.00 0.77 0.00 0.00 66.41 65.31 1u8e h THR 221 Cb 0.00 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1u8e h THR 221 CO 0.00 0.34 -0.43 -0.36 0.37 0.00 0.00 175.52 175.44 1u8e s PHE 222 N -4.07 3.50 -0.23 3.16 0.08 -1.26 -1.13 117.98 118.03 1u8e s PHE 222 Ca -0.16 0.30 -0.00 0.00 0.12 0.00 0.00 56.93 57.19 1u8e s PHE 222 Cb 0.02 -1.80 0.06 0.00 -0.57 0.00 0.00 43.02 40.72 1u8e s PHE 222 CO 0.69 0.51 -0.03 -1.17 -0.10 0.00 0.00 175.22 175.12 1u8e s LEU 223 N -2.80 2.26 -0.02 -0.37 0.20 0.86 -1.15 118.68 117.66 1u8e s LEU 223 Ca 0.37 -1.11 -0.03 0.00 0.69 0.00 0.00 54.13 54.05 1u8e s LEU 223 Cb -0.12 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 1u8e s LEU 223 CO 0.28 -0.25 0.16 0.00 -0.29 0.00 0.00 176.35 176.24 1u8e s ALA 224 N 1.50 3.88 0.18 5.97 0.00 -0.66 -0.78 121.76 131.85 1u8e s ALA 224 Ca -0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1u8e s ALA 224 Cb -0.18 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1u8e s ALA 224 CO -0.07 0.72 0.50 1.52 0.00 0.00 0.00 175.76 178.44 1u8e s TYR 225 N -1.27 -0.17 0.22 0.00 1.13 -0.15 0.11 117.35 117.22 1u8e s TYR 225 Ca 0.25 -0.15 0.09 0.00 -1.41 0.00 0.00 57.07 55.85 1u8e s TYR 225 Cb -0.12 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1u8e s TYR 225 CO 0.16 -0.87 -0.06 0.00 -2.51 0.00 0.00 175.55 172.27 1u8e s ALA 226 N -3.85 3.02 -0.07 9.51 0.00 -0.25 -0.74 121.76 129.38 1u8e s ALA 226 Ca 0.07 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.48 1u8e s ALA 226 Cb -0.00 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1u8e s ALA 226 CO -0.06 0.37 -0.14 -1.14 0.00 0.00 0.00 175.76 174.79 1u8e s GLN 227 N -3.23 1.87 -0.12 0.00 0.74 0.82 -2.04 119.66 117.70 1u8e s GLN 227 Ca 0.28 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 55.22 1u8e s GLN 227 Cb -0.07 -1.52 -0.01 0.00 1.10 0.00 0.00 33.01 32.50 1u8e s GLN 227 CO 0.17 0.06 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.74 1u8e s PHE 228 N 0.58 2.71 -0.35 1.67 0.08 0.48 -1.02 117.98 122.14 1u8e s PHE 228 Ca -0.15 -0.83 -0.05 0.00 0.12 0.00 0.00 56.93 56.03 1u8e s PHE 228 Cb -0.16 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1u8e s PHE 228 CO 0.04 -0.31 0.12 1.21 -0.10 0.00 0.00 175.22 176.18 1u8e s ASN 229 N 0.36 5.27 -0.26 1.36 3.84 -0.50 -0.44 114.94 124.56 1u8e s ASN 229 Ca -0.14 -1.33 0.13 0.00 0.21 0.00 0.00 52.86 51.73 1u8e s ASN 229 Cb -0.17 -1.85 0.77 0.00 -0.55 0.00 0.00 41.25 39.46 1u8e s ASN 229 CO 0.07 -0.37 1.75 0.47 -2.79 0.00 0.00 177.10 176.23 1u8e n ASP 230 N 4.76 5.27 -0.19 -4.21 9.92 0.26 -2.12 116.55 130.25 1u8e n ASP 230 Ca -0.11 -3.05 -0.08 0.00 -0.53 0.00 0.00 54.79 51.01 1u8e n ASP 230 Cb 0.44 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 1u8e n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1u8e h THR 231 N 3.35 0.10 -0.18 -3.53 2.02 -1.83 -1.25 112.91 111.59 1u8e h THR 231 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1u8e h THR 231 Cb 2.07 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1u8e h THR 231 CO 0.56 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.66 1u8e n GLU 232 N -5.41 1.53 -3.11 6.66 4.07 -1.26 -4.89 120.64 118.23 1u8e n GLU 232 Ca 0.01 -0.80 -0.40 0.00 -0.06 0.00 0.00 57.16 55.91 1u8e n GLU 232 Cb 0.35 -1.27 -0.06 0.00 -0.06 0.00 0.00 31.44 30.40 1u8e n GLU 232 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1u8e s VAL 233 N -1.77 5.01 0.58 6.31 1.01 -0.47 -4.69 120.40 126.38 1u8e s VAL 233 Ca 0.23 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 1u8e s VAL 233 Cb 0.12 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1u8e s VAL 233 CO 0.18 0.09 0.89 -2.65 0.00 0.00 0.00 175.10 173.61 1u8e n PRO 234 N 5.18 0.88 -4.09 2.72 -0.02 -1.26 -4.61 135.00 133.80 1u8e n PRO 234 Ca -0.01 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.45 1u8e n PRO 234 Cb 0.49 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1u8e n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u8e s LEU 235 N -1.37 4.01 -0.07 2.45 1.43 -1.26 -1.08 118.68 122.79 1u8e s LEU 235 Ca 0.73 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.97 1u8e s LEU 235 Cb -0.44 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1u8e s LEU 235 CO 0.49 0.36 0.38 -0.51 0.23 0.00 0.00 176.35 177.30 1u8e s ILE 236 N -1.04 5.15 -0.04 -0.59 1.10 -0.23 -4.86 121.20 120.70 1u8e s ILE 236 Ca 0.17 0.76 0.03 0.00 -0.51 0.00 0.00 60.65 61.10 1u8e s ILE 236 Cb -0.12 -3.70 0.00 0.00 0.15 0.00 0.00 42.46 38.80 1u8e s ILE 236 CO 0.07 0.48 -0.14 -1.61 -2.11 0.00 0.00 174.94 171.63 1u8e s GLU 237 N -0.36 1.53 0.01 3.50 2.02 -1.26 -1.35 118.70 122.79 1u8e s GLU 237 Ca 0.22 -0.48 -0.22 0.00 0.02 0.00 0.00 54.97 54.51 1u8e s GLU 237 Cb -0.15 -1.33 0.05 0.00 0.10 0.00 0.00 34.13 32.79 1u8e s GLU 237 CO 0.10 0.16 0.49 1.52 0.02 0.00 0.00 175.26 177.56 1u8e s TYR 238 N 0.20 -0.40 0.38 1.61 -0.85 -0.80 -4.97 117.35 112.52 1u8e s TYR 238 Ca -0.06 0.53 -0.23 0.00 -0.52 0.00 0.00 57.07 56.79 1u8e s TYR 238 Cb -0.11 0.28 -0.10 0.00 0.38 0.00 0.00 41.96 42.40 1u8e s TYR 238 CO 0.02 -0.57 0.95 -1.12 -1.52 0.00 0.00 175.55 173.31 1u8e s SER 239 N -1.67 7.09 -0.16 -0.18 0.01 -1.26 -0.34 113.70 117.19 1u8e s SER 239 Ca -0.08 1.77 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1u8e s SER 239 Cb -0.01 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.69 1u8e s SER 239 CO 0.02 -0.25 -0.08 0.12 0.41 0.00 0.00 173.24 173.46 1u8e s PHE 240 N -1.92 1.94 0.12 2.43 5.36 0.19 -4.68 117.98 121.41 1u8e s PHE 240 Ca 0.57 -1.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.36 1u8e s PHE 240 Cb -0.14 -1.44 -0.17 0.00 -0.34 0.00 0.00 43.02 40.94 1u8e s PHE 240 CO 0.18 -0.64 1.26 1.88 -1.46 0.00 0.00 175.22 176.44 1u8e h TYR 241 N 8.08 0.27 -0.67 10.12 -1.99 -1.96 -0.20 116.97 130.63 1u8e h TYR 241 Ca -0.28 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1u8e h TYR 241 Cb 1.11 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1u8e h TYR 241 CO 0.47 1.09 0.00 0.45 -0.00 0.00 0.00 178.16 180.17 1u8e n SER 242 N -3.52 -2.00 -4.76 3.88 2.88 -1.26 -4.70 113.62 104.13 1u8e n SER 242 Ca -0.04 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.16 1u8e n SER 242 Cb 0.92 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.43 1u8e n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1u8e s ASP 243 N -4.00 5.04 0.34 -3.46 1.01 -1.26 -4.89 116.67 109.45 1u8e s ASP 243 Ca 0.00 2.07 0.14 0.00 0.71 0.00 0.00 52.55 55.47 1u8e s ASP 243 Cb 0.00 -2.56 1.05 0.00 1.01 0.00 0.00 42.92 42.42 1u8e s ASP 243 CO 0.00 -1.68 1.68 -0.08 0.21 0.00 0.00 175.17 175.30 1u8e h GLU 244 N 0.10 0.37 0.00 8.23 4.81 -2.05 0.19 114.58 126.24 1u8e h GLU 244 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1u8e h GLU 244 Cb 1.25 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1u8e h GLU 244 CO 0.54 0.25 0.06 -1.13 -0.73 0.00 0.00 179.01 177.99 1u8e n SER 245 N -4.99 0.42 -4.63 1.04 3.41 -1.26 -4.54 113.62 103.08 1u8e n SER 245 Ca 0.31 0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 59.16 1u8e n SER 245 Cb 0.94 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1u8e n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1u8e s LEU 246 N -4.16 3.94 0.05 1.04 0.20 0.05 -4.92 118.68 114.89 1u8e s LEU 246 Ca -0.02 0.93 -0.20 0.00 0.69 0.00 0.00 54.13 55.53 1u8e s LEU 246 Cb 0.05 -3.47 -0.13 0.00 -0.43 0.00 0.00 46.19 42.21 1u8e s LEU 246 CO 0.15 -0.87 1.41 -0.61 -0.29 0.00 0.00 176.35 176.13 1u8e h GLN 247 N 8.19 0.36 -5.11 1.98 4.15 -1.89 -3.43 115.11 119.37 1u8e h GLN 247 Ca -0.21 -0.16 -0.65 0.00 0.77 0.00 0.00 58.65 58.40 1u8e h GLN 247 Cb 1.07 -0.01 -0.25 0.00 0.21 0.00 0.00 27.48 28.49 1u8e h GLN 247 CO 1.02 0.67 -0.70 0.71 -1.93 0.00 0.00 178.83 178.60 1u8e s TYR 248 N -4.57 2.98 0.75 3.99 2.02 -1.26 -5.09 117.35 116.17 1u8e s TYR 248 Ca -0.14 -0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 55.75 1u8e s TYR 248 Cb 0.06 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1u8e s TYR 248 CO 0.74 -0.34 0.79 -2.30 -1.57 0.00 0.00 175.55 172.87 1u8e n PRO 249 N 4.32 0.32 -3.97 -1.71 -0.02 -1.26 -4.98 135.00 127.70 1u8e n PRO 249 Ca -0.18 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.17 1u8e n PRO 249 Cb 0.52 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1u8e n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1u8e s LYS 250 N -3.24 3.24 -0.24 -0.52 2.20 -0.09 -4.91 119.74 116.18 1u8e s LYS 250 Ca 0.69 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.68 1u8e s LYS 250 Cb -0.33 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1u8e s LYS 250 CO 0.55 0.58 0.03 0.99 -0.36 0.00 0.00 175.35 177.14 1u8e s THR 251 N -1.52 4.01 -0.12 3.43 2.01 -1.26 0.52 115.64 122.70 1u8e s THR 251 Ca 0.33 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1u8e s THR 251 Cb -0.12 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1u8e s THR 251 CO 0.26 0.36 0.53 -0.69 -0.69 0.00 0.00 174.62 174.40 1u8e s VAL 252 N 1.57 5.14 -0.15 3.82 1.01 0.53 -4.92 120.40 127.41 1u8e s VAL 252 Ca 0.06 1.06 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 1u8e s VAL 252 Cb -0.15 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1u8e s VAL 252 CO 0.01 0.28 -0.08 0.00 0.00 0.00 0.00 175.10 175.32 1u8e s ARG 253 N 0.84 1.66 -0.12 2.72 3.03 -1.26 -1.91 118.95 123.92 1u8e s ARG 253 Ca 0.28 -0.47 0.02 0.00 2.03 0.00 0.00 55.73 57.59 1u8e s ARG 253 Cb -0.16 -1.93 0.01 0.00 -1.03 0.00 0.00 34.95 31.85 1u8e s ARG 253 CO 0.12 -0.35 -0.17 0.08 -1.13 0.00 0.00 175.30 173.86 1u8e s VAL 254 N 1.61 1.62 -0.01 4.99 1.01 -0.46 -4.90 120.40 124.27 1u8e s VAL 254 Ca 0.03 -0.71 -0.33 0.00 0.00 0.00 0.00 61.98 60.96 1u8e s VAL 254 Cb -0.14 -1.47 -0.11 0.00 0.00 0.00 0.00 36.38 34.66 1u8e s VAL 254 CO -0.08 0.47 1.88 -2.65 0.00 0.00 0.00 175.10 174.71 1u8e n PRO 255 N 4.20 2.42 -3.54 2.72 -0.02 -1.26 -1.07 135.00 138.46 1u8e n PRO 255 Ca -0.19 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1u8e n PRO 255 Cb 0.51 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 1u8e n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1u8e s TYR 256 N 3.76 -0.70 -0.32 6.00 6.14 -0.24 -4.34 117.35 127.65 1u8e s TYR 256 Ca 0.89 1.09 -0.24 0.00 0.64 0.00 0.00 57.07 59.45 1u8e s TYR 256 Cb -0.60 0.09 0.00 0.00 0.42 0.00 0.00 41.96 41.87 1u8e s TYR 256 CO 0.46 -0.55 0.80 -1.25 0.64 0.00 0.00 175.55 175.65 1u8e s PRO 257 N 2.53 3.91 0.65 4.97 0.04 -1.26 -4.50 135.00 141.34 1u8e s PRO 257 Ca 0.05 0.53 -0.08 0.00 0.04 0.00 0.00 61.00 61.53 1u8e s PRO 257 Cb -0.13 -3.75 0.01 0.00 0.04 0.00 0.00 34.50 30.67 1u8e s PRO 257 CO -0.13 -0.73 0.99 0.15 0.04 0.00 0.00 177.00 177.32 1u8e s LYS 258 N 3.02 2.87 -0.15 4.56 1.02 -1.26 -0.56 119.74 129.23 1u8e s LYS 258 Ca 0.33 0.20 -0.40 0.00 0.02 0.00 0.00 55.97 56.12 1u8e s LYS 258 Cb -0.14 -2.15 -0.17 0.00 -0.52 0.00 0.00 37.83 34.85 1u8e s LYS 258 CO 0.14 -0.87 1.53 0.00 -0.92 0.00 0.00 175.35 175.22 1u8e n ALA 259 N -2.79 -0.91 0.00 5.17 0.00 0.40 -0.38 120.51 122.01 1u8e n ALA 259 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1u8e n ALA 259 Cb 0.57 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1u8e n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8e n GLY 260 N 3.34 2.60 3.77 0.00 0.00 -1.26 -4.86 105.19 108.78 1u8e n GLY 260 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1u8e n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8e s ALA 261 N -2.14 1.60 0.17 4.61 0.00 0.49 -4.97 121.76 121.51 1u8e s ALA 261 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 1u8e s ALA 261 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 1u8e s ALA 261 CO 0.00 -2.54 1.43 0.08 0.00 0.00 0.00 175.76 174.73 1u8e s VAL 262 N -3.29 3.00 0.35 0.00 1.01 -1.26 -4.85 120.40 115.35 1u8e s VAL 262 Ca 0.66 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 1u8e s VAL 262 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1u8e s VAL 262 CO 0.54 0.08 0.56 0.20 0.00 0.00 0.00 175.10 176.48 1u8e s ASN 263 N 0.85 6.31 0.77 3.32 0.01 -1.26 -4.59 114.94 120.36 1u8e s ASN 263 Ca 0.64 0.52 -0.11 0.00 -0.71 0.00 0.00 52.86 53.20 1u8e s ASN 263 Cb -0.39 -2.06 0.05 0.00 0.41 0.00 0.00 41.25 39.26 1u8e s ASN 263 CO 0.34 -0.30 1.10 -2.16 -1.51 0.00 0.00 177.10 174.57 1u8e s PRO 264 N -4.23 2.25 0.25 -0.60 0.04 -1.26 -4.83 135.00 126.62 1u8e s PRO 264 Ca 0.41 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.75 1u8e s PRO 264 Cb -0.10 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1u8e s PRO 264 CO 0.36 -1.66 0.15 0.95 0.04 0.00 0.00 177.00 176.84 1u8e s THR 265 N -2.81 4.20 0.04 1.26 -4.23 -0.90 -4.93 115.64 108.28 1u8e s THR 265 Ca 0.62 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 1u8e s THR 265 Cb -0.18 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 1u8e s THR 265 CO 0.54 -0.35 -0.07 0.54 -0.54 0.00 0.00 174.62 174.74 1u8e s VAL 266 N -2.17 0.48 0.05 2.29 0.11 -1.26 -1.41 120.40 118.48 1u8e s VAL 266 Ca 0.32 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1u8e s VAL 266 Cb -0.08 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1u8e s VAL 266 CO 0.24 -0.38 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.00 1u8e s LYS 267 N -1.52 0.57 -0.05 1.54 1.02 -0.19 -4.97 119.74 116.15 1u8e s LYS 267 Ca -0.10 -0.80 0.06 0.00 0.02 0.00 0.00 55.97 55.15 1u8e s LYS 267 Cb -0.10 -0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 1u8e s LYS 267 CO 0.00 0.07 -0.23 0.12 -0.92 0.00 0.00 175.35 174.39 1u8e s PHE 268 N -1.42 2.21 0.14 3.18 5.36 -1.26 -0.13 117.98 126.06 1u8e s PHE 268 Ca -0.08 -0.60 0.03 0.00 -0.96 0.00 0.00 56.93 55.31 1u8e s PHE 268 Cb -0.10 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.09 1u8e s PHE 268 CO 0.01 -0.16 -0.06 -0.06 -1.46 0.00 0.00 175.22 173.48 1u8e s PHE 269 N -0.21 1.12 -0.03 10.12 0.40 0.08 -1.78 117.98 127.67 1u8e s PHE 269 Ca -0.01 -0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1u8e s PHE 269 Cb -0.12 -0.62 0.03 0.00 0.51 0.00 0.00 43.02 42.82 1u8e s PHE 269 CO 0.02 -0.08 0.05 0.08 0.70 0.00 0.00 175.22 175.99 1u8e s VAL 270 N -3.53 -0.09 0.06 -0.44 1.01 0.38 -0.97 120.40 116.82 1u8e s VAL 270 Ca 0.17 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1u8e s VAL 270 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 1u8e s VAL 270 CO -0.00 0.12 -0.21 0.54 0.00 0.00 0.00 175.10 175.55 1u8e s VAL 271 N 1.53 1.74 -0.56 2.92 0.11 0.04 -0.80 120.40 125.38 1u8e s VAL 271 Ca -0.03 -1.31 -0.20 0.00 -2.93 0.00 0.00 61.98 57.51 1u8e s VAL 271 Cb -0.12 -1.52 0.08 0.00 -1.53 0.00 0.00 36.38 33.28 1u8e s VAL 271 CO -0.03 0.16 0.70 0.21 -3.33 0.00 0.00 175.10 172.80 1u8e s ASN 272 N -1.37 6.21 0.01 3.54 3.04 -1.26 -0.10 114.94 125.00 1u8e s ASN 272 Ca 0.08 -1.10 0.11 0.00 0.04 0.00 0.00 52.86 51.99 1u8e s ASN 272 Cb -0.09 -2.31 0.48 0.00 -1.54 0.00 0.00 41.25 37.78 1u8e s ASN 272 CO 0.02 -1.05 1.36 0.35 -3.04 0.00 0.00 177.10 174.75 1u8e n THR 273 N 5.64 1.24 1.22 -5.21 -2.24 -0.28 -2.14 114.28 112.51 1u8e n THR 273 Ca -0.07 0.31 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 1u8e n THR 273 Cb 0.44 -1.13 0.57 0.00 -2.10 0.00 0.00 70.33 68.12 1u8e n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u8e n ASP 274 N -1.52 0.27 -0.69 3.42 8.00 -1.25 -3.43 116.55 121.35 1u8e n ASP 274 Ca 0.03 -0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.47 1u8e n ASP 274 Cb 0.13 -0.18 0.11 0.00 -0.02 0.00 0.00 41.12 41.16 1u8e n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1u8e n SER 275 N -1.26 2.58 -0.20 -2.24 3.41 -0.91 -4.61 113.62 110.38 1u8e n SER 275 Ca 0.11 -1.75 -0.06 0.00 -0.26 0.00 0.00 58.87 56.91 1u8e n SER 275 Cb 0.30 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1u8e n SER 275 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1u8e h LEU 276 N 2.87 0.66 -3.01 1.04 3.38 -1.68 -2.64 115.31 115.92 1u8e h LEU 276 Ca 0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1u8e h LEU 276 Cb 0.69 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 1u8e h LEU 276 CO 0.00 0.47 0.24 -1.54 0.09 0.00 0.00 178.44 177.70 1u8e n SER 277 N -4.69 4.87 0.00 -0.43 3.41 -1.26 -3.73 113.62 111.79 1u8e n SER 277 Ca 0.04 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1u8e n SER 277 Cb 0.03 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1u8e n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1u8e n SER 278 N 0.44 0.00 -0.00 4.04 7.64 -1.02 -4.96 113.62 119.76 1u8e n SER 278 Ca 0.19 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.10 1u8e n SER 278 Cb 0.68 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 1u8e n SER 278 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1u8e n VAL 279 N -0.11 0.00 0.00 0.44 0.24 -1.07 -5.02 118.33 112.81 1u8e n VAL 279 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1u8e n VAL 279 Cb 0.00 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1u8e n VAL 279 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1u8e n THR 280 N -1.36 0.00 -3.02 3.34 5.66 -1.24 -4.67 114.28 112.98 1u8e n THR 280 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1u8e n THR 280 Cb 0.12 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.87 1u8e n THR 280 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1u8e n ASN 281 N 1.58 -1.79 -4.64 1.09 5.15 -1.26 -5.03 115.26 110.36 1u8e n ASN 281 Ca 0.00 -2.80 -0.47 0.00 -0.60 0.00 0.00 54.58 50.71 1u8e n ASN 281 Cb 0.00 0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.86 1u8e n ASN 281 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u8e n ALA 282 N 2.34 0.58 -2.18 5.20 0.00 -1.26 -4.92 120.51 120.26 1u8e n ALA 282 Ca 0.20 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.68 1u8e n ALA 282 Cb 0.55 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 1u8e n ALA 282 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u8e s THR 283 N 0.35 4.45 -0.34 0.00 -4.23 -1.26 -5.01 115.64 109.60 1u8e s THR 283 Ca 0.75 2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 63.06 1u8e s THR 283 Cb -0.74 -4.29 -0.00 0.00 1.34 0.00 0.00 72.50 68.81 1u8e s THR 283 CO 0.45 0.36 0.62 -0.44 -0.54 0.00 0.00 174.62 175.08 1u8e s SER 284 N -0.26 6.44 0.06 3.99 0.01 -1.26 -4.57 113.70 118.10 1u8e s SER 284 Ca 0.44 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 1u8e s SER 284 Cb -0.23 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1u8e s SER 284 CO 0.29 -0.54 0.95 -0.63 0.41 0.00 0.00 173.24 173.72 1u8e s ILE 285 N 2.65 4.68 -0.11 1.44 -1.09 0.02 -4.81 121.20 123.98 1u8e s ILE 285 Ca 0.24 2.03 -0.12 0.00 -2.23 0.00 0.00 60.65 60.57 1u8e s ILE 285 Cb -0.15 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 1u8e s ILE 285 CO 0.14 0.25 0.26 -1.58 -1.23 0.00 0.00 174.94 172.77 1u8e s GLN 286 N 0.44 3.92 -0.31 2.79 0.74 -1.26 -0.47 119.66 125.50 1u8e s GLN 286 Ca 0.48 0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.93 1u8e s GLN 286 Cb -0.22 -3.30 0.05 0.00 1.10 0.00 0.00 33.01 30.63 1u8e s GLN 286 CO 0.28 0.52 0.04 0.42 -0.55 0.00 0.00 175.29 176.00 1u8e s ILE 287 N -0.37 3.29 0.00 -2.34 1.01 -0.73 -4.90 121.20 117.15 1u8e s ILE 287 Ca 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1u8e s ILE 287 Cb -0.13 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1u8e s ILE 287 CO 0.06 -0.13 0.00 0.35 0.00 0.00 0.00 174.94 175.22 1u8e n THR 288 N 4.70 0.00 -1.84 2.92 -2.24 -1.26 -4.28 114.28 112.27 1u8e n THR 288 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1u8e n THR 288 Cb 0.44 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1u8e n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u8e n ALA 289 N -3.00 0.00 -1.70 6.98 0.00 -1.26 -4.98 120.51 116.56 1u8e n ALA 289 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1u8e n ALA 289 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1u8e n ALA 289 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1u8e s PRO 290 N 0.00 2.94 0.27 0.00 0.02 -1.26 -4.82 135.00 132.16 1u8e s PRO 290 Ca 0.00 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.78 1u8e s PRO 290 Cb 0.00 -1.93 0.59 0.00 0.02 0.00 0.00 34.50 33.18 1u8e s PRO 290 CO 0.00 -1.21 1.77 0.00 -0.33 0.00 0.00 177.00 177.23 1u8e h ALA 291 N 0.75 1.40 0.00 -1.55 0.00 -1.97 0.72 119.26 118.60 1u8e h ALA 291 Ca -0.50 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1u8e h ALA 291 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1u8e h ALA 291 CO 0.55 -0.07 -0.00 0.66 0.00 0.00 0.00 179.25 180.39 1u8e h SER 292 N 0.67 0.00 0.05 0.00 4.64 -2.01 -2.04 113.55 114.86 1u8e h SER 292 Ca 0.50 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.44 1u8e h SER 292 Cb 0.72 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 1u8e h SER 292 CO -0.37 0.00 -2.32 0.80 -0.87 0.00 0.00 176.83 174.07 1u8e n MET 293 N -3.10 0.68 0.07 4.77 0.00 0.21 -4.32 117.12 115.44 1u8e n MET 293 Ca -0.03 0.16 0.09 0.00 0.00 0.00 0.00 57.70 57.93 1u8e n MET 293 Cb 0.09 -1.58 0.40 0.00 0.00 0.00 0.00 33.22 32.13 1u8e n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1u8e n LEU 294 N -3.25 0.36 0.31 -0.89 4.77 0.84 -2.87 117.00 116.28 1u8e n LEU 294 Ca -0.40 0.60 0.20 0.00 -0.03 0.00 0.00 56.01 56.38 1u8e n LEU 294 Cb 1.03 -0.56 1.00 0.00 -2.33 0.00 0.00 43.42 42.56 1u8e n LEU 294 CO 0.33 -0.47 1.11 -0.29 -1.33 0.00 0.00 177.39 176.74 1u8e h ILE 295 N 0.00 0.09 -1.63 -0.08 2.10 -1.59 -3.46 117.51 112.93 1u8e h ILE 295 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1u8e h ILE 295 Cb 0.27 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1u8e h ILE 295 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.15 177.69 1u8e n GLY 296 N -0.73 2.05 3.76 8.18 0.00 -1.14 -5.13 105.19 112.19 1u8e n GLY 296 Ca -0.02 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1u8e n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u8e n ASP 297 N -0.66 3.91 -2.82 1.61 8.00 -1.26 -4.94 116.55 120.39 1u8e n ASP 297 Ca 0.00 1.18 -0.13 0.00 0.71 0.00 0.00 54.79 56.55 1u8e n ASP 297 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.12 39.46 1u8e n ASP 297 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u8e n HIS 298 N 1.44 -1.52 -4.13 1.24 1.44 -1.26 -1.14 115.22 111.28 1u8e n HIS 298 Ca 0.05 -2.11 -0.09 0.00 -2.01 0.00 0.00 57.72 53.57 1u8e n HIS 298 Cb 0.38 0.57 -0.10 0.00 0.12 0.00 0.00 29.99 30.96 1u8e n HIS 298 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1u8e s TYR 299 N -3.02 0.76 -0.31 -1.40 2.02 0.30 -4.78 117.35 110.91 1u8e s TYR 299 Ca 0.25 -1.14 -0.06 0.00 -0.37 0.00 0.00 57.07 55.75 1u8e s TYR 299 Cb -0.01 -0.46 0.02 0.00 -0.40 0.00 0.00 41.96 41.11 1u8e s TYR 299 CO 0.18 -0.42 0.08 -1.17 -1.57 0.00 0.00 175.55 172.65 1u8e s LEU 300 N -3.01 4.01 -0.01 -1.29 2.96 -1.26 -0.81 118.68 119.27 1u8e s LEU 300 Ca 0.17 -0.91 0.17 0.00 -0.22 0.00 0.00 54.13 53.33 1u8e s LEU 300 Cb 0.07 -1.86 -0.22 0.00 0.50 0.00 0.00 46.19 44.69 1u8e s LEU 300 CO -0.03 -0.25 0.58 0.00 -1.32 0.00 0.00 176.35 175.33 1u8e s ASP 302 N -3.16 -0.63 -0.12 0.00 -1.08 -1.11 -4.83 116.67 105.74 1u8e s ASP 302 Ca 0.01 0.99 -0.05 0.00 -0.52 0.00 0.00 52.55 52.98 1u8e s ASP 302 Cb 0.12 0.92 0.06 0.00 -1.46 0.00 0.00 42.92 42.56 1u8e s ASP 302 CO 0.71 -0.37 0.24 0.54 0.52 0.00 0.00 175.17 176.81 1u8e s VAL 303 N -0.35 -0.33 -0.05 1.11 0.11 -1.26 -0.43 120.40 119.20 1u8e s VAL 303 Ca -0.03 0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1u8e s VAL 303 Cb -0.03 -0.41 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1u8e s VAL 303 CO 0.03 0.11 0.13 0.42 -3.33 0.00 0.00 175.10 172.46 1u8e s THR 304 N 2.20 -0.03 0.18 5.04 -4.23 -0.73 -5.00 115.64 113.07 1u8e s THR 304 Ca -0.00 0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.34 1u8e s THR 304 Cb -0.12 -0.20 -0.08 0.00 1.34 0.00 0.00 72.50 73.44 1u8e s THR 304 CO -0.08 0.05 1.07 0.26 -0.54 0.00 0.00 174.62 175.38 1u8e s TRP 305 N 0.82 3.65 -0.21 3.99 0.52 -1.26 -0.71 118.94 125.74 1u8e s TRP 305 Ca -0.06 1.66 -0.09 0.00 0.02 0.00 0.00 56.10 57.62 1u8e s TRP 305 Cb -0.08 -3.22 -0.20 0.00 -1.15 0.00 0.00 33.47 28.82 1u8e s TRP 305 CO -0.04 -0.41 0.04 0.00 0.02 0.00 0.00 176.95 176.56 1u8e n ALA 306 N 2.25 1.06 -3.30 0.98 0.00 0.96 -4.91 120.51 117.54 1u8e n ALA 306 Ca 0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 53.44 52.61 1u8e n ALA 306 Cb 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1u8e n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u8e n THR 307 N -3.79 0.00 0.28 0.00 -2.24 -0.96 -4.48 114.28 103.09 1u8e n THR 307 Ca -0.40 -0.56 0.14 0.00 -2.27 0.00 0.00 64.05 60.96 1u8e n THR 307 Cb 0.92 0.30 0.83 0.00 -2.10 0.00 0.00 70.33 70.28 1u8e n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1u8e h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.06 115.11 110.38 1u8e h GLN 308 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1u8e h GLN 308 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1u8e h GLN 308 CO 0.09 0.05 -0.22 0.39 -0.95 0.00 0.00 178.83 178.19 1u8e n GLU 309 N -3.75 0.72 -4.15 1.46 1.02 -1.26 -4.89 120.64 109.78 1u8e n GLU 309 Ca -0.02 -1.78 -0.19 0.00 -0.02 0.00 0.00 57.16 55.14 1u8e n GLU 309 Cb 0.15 -1.01 -0.16 0.00 -0.02 0.00 0.00 31.44 30.40 1u8e n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1u8e s ARG 310 N -1.45 0.77 -0.00 3.49 3.52 -1.16 -0.57 118.95 123.55 1u8e s ARG 310 Ca 0.16 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1u8e s ARG 310 Cb 0.14 -0.78 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 1u8e s ARG 310 CO 0.01 -0.07 -0.06 -1.50 -0.81 0.00 0.00 175.30 172.87 1u8e s ILE 311 N 0.86 0.49 -0.09 4.11 2.07 -0.59 -0.03 121.20 128.03 1u8e s ILE 311 Ca -0.11 -0.34 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 1u8e s ILE 311 Cb -0.14 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 1u8e s ILE 311 CO 0.00 0.09 -0.07 -0.94 -1.91 0.00 0.00 174.94 172.11 1u8e s SER 312 N -0.27 4.58 -0.11 4.50 1.04 0.11 -0.88 113.70 122.66 1u8e s SER 312 Ca 0.01 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.38 1u8e s SER 312 Cb -0.03 -1.31 0.01 0.00 0.10 0.00 0.00 66.02 64.80 1u8e s SER 312 CO -0.00 0.31 -0.17 -0.76 0.98 0.00 0.00 173.24 173.60 1u8e s LEU 313 N -0.48 1.82 -0.18 2.42 1.02 0.55 -1.78 118.68 122.05 1u8e s LEU 313 Ca 0.07 -0.46 -0.07 0.00 0.02 0.00 0.00 54.13 53.69 1u8e s LEU 313 Cb -0.12 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.89 1u8e s LEU 313 CO 0.02 0.04 0.04 -1.10 0.02 0.00 0.00 176.35 175.37 1u8e s GLN 314 N 0.89 3.88 0.17 1.70 -0.21 0.43 0.35 119.66 126.87 1u8e s GLN 314 Ca -0.08 -0.40 0.09 0.00 0.02 0.00 0.00 55.36 54.99 1u8e s GLN 314 Cb -0.15 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 1u8e s GLN 314 CO -0.01 0.22 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.69 1u8e s TRP 315 N 0.50 2.61 -0.02 0.91 0.52 0.18 -1.09 118.94 122.55 1u8e s TRP 315 Ca 0.02 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 55.91 1u8e s TRP 315 Cb -0.13 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1u8e s TRP 315 CO 0.01 0.50 -0.01 -1.17 0.02 0.00 0.00 176.95 176.30 1u8e s LEU 316 N -2.74 1.48 0.54 2.99 2.96 0.01 -0.54 118.68 123.38 1u8e s LEU 316 Ca 0.24 -0.03 -0.19 0.00 -0.22 0.00 0.00 54.13 53.93 1u8e s LEU 316 Cb -0.09 -0.18 -0.06 0.00 0.50 0.00 0.00 46.19 46.37 1u8e s LEU 316 CO 0.14 -0.05 1.09 -0.13 -1.32 0.00 0.00 176.35 176.08 1u8e s ARG 317 N 0.61 3.43 0.27 1.98 0.52 -1.01 0.11 118.95 124.86 1u8e s ARG 317 Ca -0.06 1.47 -0.00 0.00 -0.52 0.00 0.00 55.73 56.62 1u8e s ARG 317 Cb -0.09 -2.03 0.54 0.00 0.52 0.00 0.00 34.95 33.89 1u8e s ARG 317 CO -0.01 -0.75 1.78 -0.09 0.02 0.00 0.00 175.30 176.25 1u8e h ARG 318 N 1.12 0.71 -6.13 3.54 2.43 -1.44 -2.60 114.38 112.00 1u8e h ARG 318 Ca -0.49 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.04 1u8e h ARG 318 Cb 1.24 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 30.54 1u8e h ARG 318 CO 0.57 0.47 1.43 0.42 -1.51 0.00 0.00 179.97 181.35 1u8e s ILE 319 N -5.97 3.90 0.00 1.20 -1.09 -1.26 -4.81 121.20 113.17 1u8e s ILE 319 Ca -0.12 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1u8e s ILE 319 Cb 0.22 -5.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 1u8e s ILE 319 CO 0.79 -1.92 0.17 0.00 -1.23 0.00 0.00 174.94 172.75 1u8e n GLN 320 N 8.92 0.11 0.00 2.79 6.02 -0.98 -3.55 117.38 130.69 1u8e n GLN 320 Ca 0.29 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.37 1u8e n GLN 320 Cb 0.51 -1.44 0.06 0.00 1.02 0.00 0.00 30.24 30.38 1u8e n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u8e n ASN 321 N 1.47 2.41 -3.97 1.08 0.23 -1.26 -1.76 115.26 113.46 1u8e n ASN 321 Ca 0.00 -1.70 -0.21 0.00 -0.53 0.00 0.00 54.58 52.14 1u8e n ASN 321 Cb 0.06 0.11 -0.16 0.00 -2.08 0.00 0.00 39.78 37.71 1u8e n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1u8e s TYR 322 N -1.73 0.97 0.01 -2.53 5.04 -1.23 -1.10 117.35 116.78 1u8e s TYR 322 Ca 0.21 -0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1u8e s TYR 322 Cb 0.16 -0.74 -0.01 0.00 0.35 0.00 0.00 41.96 41.71 1u8e s TYR 322 CO 0.30 -0.17 -0.02 0.45 -1.34 0.00 0.00 175.55 174.77 1u8e s SER 323 N 0.55 0.18 -0.03 4.32 0.15 -0.34 -2.39 113.70 116.14 1u8e s SER 323 Ca -0.09 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.32 1u8e s SER 323 Cb -0.12 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1u8e s SER 323 CO 0.01 -0.14 -0.03 -0.69 1.20 0.00 0.00 173.24 173.60 1u8e s VAL 324 N -0.72 0.34 -0.15 4.45 1.01 0.30 -0.84 120.40 124.79 1u8e s VAL 324 Ca -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1u8e s VAL 324 Cb -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1u8e s VAL 324 CO -0.00 0.16 -0.01 -0.32 0.00 0.00 0.00 175.10 174.93 1u8e s MET 325 N 0.68 3.64 0.01 2.72 1.75 -0.38 0.48 119.30 128.19 1u8e s MET 325 Ca -0.08 -0.45 0.03 0.00 -1.25 0.00 0.00 55.69 53.94 1u8e s MET 325 Cb -0.11 -2.97 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 1u8e s MET 325 CO -0.01 0.33 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.12 1u8e s ASP 326 N 0.15 4.62 -0.29 1.11 1.01 0.16 -1.73 116.67 121.70 1u8e s ASP 326 Ca 0.01 -0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.14 1u8e s ASP 326 Cb -0.13 -1.07 0.08 0.00 1.01 0.00 0.00 42.92 42.81 1u8e s ASP 326 CO 0.02 0.28 -0.01 -0.63 0.21 0.00 0.00 175.17 175.04 1u8e s ILE 327 N -1.00 1.84 -0.11 0.77 1.01 -1.26 -0.33 121.20 122.12 1u8e s ILE 327 Ca 0.17 -1.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 1u8e s ILE 327 Cb -0.11 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1u8e s ILE 327 CO 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 174.94 174.66 1u8e s ASP 329 N -0.38 4.97 0.02 0.00 1.11 -0.10 -1.54 116.67 120.74 1u8e s ASP 329 Ca 0.07 -0.08 -0.30 0.00 0.18 0.00 0.00 52.55 52.42 1u8e s ASP 329 Cb -0.12 -1.24 -0.05 0.00 1.07 0.00 0.00 42.92 42.58 1u8e s ASP 329 CO 0.02 0.26 1.28 -0.47 1.18 0.00 0.00 175.17 177.44 1u8e s TYR 330 N -1.11 3.17 -0.86 4.23 5.04 0.26 -2.06 117.35 126.03 1u8e s TYR 330 Ca 0.20 1.09 -0.13 0.00 -2.44 0.00 0.00 57.07 55.80 1u8e s TYR 330 Cb -0.11 -3.52 0.22 0.00 0.35 0.00 0.00 41.96 38.90 1u8e s TYR 330 CO 0.11 -1.77 0.80 0.34 -1.34 0.00 0.00 175.55 173.69 1u8e s ASP 331 N 1.44 6.75 0.64 4.32 2.15 -0.05 -4.92 116.67 127.00 1u8e s ASP 331 Ca 0.60 -2.84 0.15 0.00 0.43 0.00 0.00 52.55 50.89 1u8e s ASP 331 Cb -0.29 -2.19 0.69 0.00 -0.30 0.00 0.00 42.92 40.83 1u8e s ASP 331 CO 0.26 -0.52 1.34 -0.08 -0.17 0.00 0.00 175.17 176.00 1u8e h GLU 332 N 7.56 0.00 0.06 4.34 4.81 -1.93 0.74 114.58 130.16 1u8e h GLU 332 Ca 0.11 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 1u8e h GLU 332 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1u8e h GLU 332 CO 0.78 0.00 -0.98 1.03 -0.73 0.00 0.00 179.01 179.11 1u8e h SER 333 N 0.00 0.19 0.71 1.04 0.87 -1.94 -3.37 113.55 111.05 1u8e h SER 333 Ca 0.15 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1u8e h SER 333 Cb 1.93 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1u8e h SER 333 CO -0.00 1.42 -0.67 -0.24 -0.53 0.00 0.00 176.83 176.81 1u8e n SER 334 N -4.24 0.64 0.00 6.23 2.88 0.16 -4.92 113.62 114.36 1u8e n SER 334 Ca -0.22 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1u8e n SER 334 Cb 0.73 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 1u8e n SER 334 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u8e n GLY 335 N 1.38 1.49 3.98 0.46 0.00 0.24 -4.95 105.19 107.78 1u8e n GLY 335 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1u8e n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8e s ARG 336 N -0.10 1.50 -0.23 1.61 1.81 -1.25 -4.80 118.95 117.50 1u8e s ARG 336 Ca 0.00 -0.97 0.02 0.00 -1.72 0.00 0.00 55.73 53.06 1u8e s ARG 336 Cb 0.00 -2.24 0.05 0.00 -0.45 0.00 0.00 34.95 32.30 1u8e s ARG 336 CO 0.00 -1.61 -0.14 -1.58 -0.68 0.00 0.00 175.30 171.29 1u8e s TRP 337 N -3.28 3.04 -0.13 -0.53 0.52 -1.26 -0.87 118.94 116.42 1u8e s TRP 337 Ca 0.67 -2.05 -0.07 0.00 0.02 0.00 0.00 56.10 54.68 1u8e s TRP 337 Cb -0.05 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 1u8e s TRP 337 CO 0.46 -0.85 0.12 -0.80 0.02 0.00 0.00 176.95 175.90 1u8e s ASN 338 N 1.19 6.22 -0.40 2.95 -0.87 -0.87 -4.87 114.94 118.28 1u8e s ASN 338 Ca -0.04 0.38 0.02 0.00 -1.57 0.00 0.00 52.86 51.65 1u8e s ASN 338 Cb -0.17 -2.01 0.11 0.00 -0.02 0.00 0.00 41.25 39.15 1u8e s ASN 338 CO -0.08 0.36 0.14 0.00 -2.57 0.00 0.00 177.10 174.95 1u8e n LEU 340 N 4.09 3.75 0.23 0.00 4.77 -1.26 -4.87 117.00 123.72 1u8e n LEU 340 Ca 0.03 1.12 0.06 0.00 -0.03 0.00 0.00 56.01 57.19 1u8e n LEU 340 Cb 0.40 -1.52 0.53 0.00 -2.33 0.00 0.00 43.42 40.50 1u8e n LEU 340 CO 0.27 -0.08 0.91 1.62 -1.33 0.00 0.00 177.39 178.78 1u8e h VAL 341 N 3.42 1.05 0.00 4.08 3.04 -1.97 -0.77 116.25 125.10 1u8e h VAL 341 Ca -0.45 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1u8e h VAL 341 Cb 1.24 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1u8e h VAL 341 CO 0.84 0.18 0.00 0.00 -1.01 0.00 0.00 177.57 177.58 1u8e h ALA 342 N 1.82 1.00 -0.63 3.17 0.00 -1.94 -0.88 119.26 121.81 1u8e h ALA 342 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u8e h ALA 342 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u8e h ALA 342 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1u8e n ARG 343 N -2.50 2.74 -3.28 0.00 1.74 -0.30 -4.36 116.66 110.71 1u8e n ARG 343 Ca 0.00 -2.50 -0.39 0.00 -0.77 0.00 0.00 57.85 54.19 1u8e n ARG 343 Cb 0.16 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 1u8e n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1u8e s GLN 344 N -1.02 4.21 -0.23 5.56 0.74 -0.34 -4.04 119.66 124.54 1u8e s GLN 344 Ca 0.42 0.39 -0.04 0.00 0.05 0.00 0.00 55.36 56.18 1u8e s GLN 344 Cb 0.22 -3.54 -0.00 0.00 1.10 0.00 0.00 33.01 30.79 1u8e s GLN 344 CO 0.29 -0.09 -0.04 -1.01 -0.55 0.00 0.00 175.29 173.89 1u8e s HIS 345 N 1.44 2.97 0.03 1.67 3.76 -0.70 -4.95 115.29 119.51 1u8e s HIS 345 Ca 0.24 -1.00 -0.19 0.00 -0.15 0.00 0.00 55.06 53.95 1u8e s HIS 345 Cb -0.15 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.37 1u8e s HIS 345 CO 0.09 -0.57 0.56 0.42 -0.85 0.00 0.00 174.74 174.40 1u8e s ILE 346 N 1.46 4.85 -0.16 0.60 1.09 -1.26 -1.25 121.20 126.53 1u8e s ILE 346 Ca 0.05 1.19 -0.04 0.00 -1.10 0.00 0.00 60.65 60.75 1u8e s ILE 346 Cb -0.15 -3.89 0.06 0.00 -1.06 0.00 0.00 42.46 37.42 1u8e s ILE 346 CO -0.03 0.49 0.07 -0.70 -0.10 0.00 0.00 174.94 174.67 1u8e s GLU 347 N -0.66 0.21 0.46 2.79 2.12 -0.02 -5.01 118.70 118.59 1u8e s GLU 347 Ca 0.29 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.54 1u8e s GLU 347 Cb -0.19 -1.74 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 1u8e s GLU 347 CO 0.17 -0.62 0.06 0.00 -0.54 0.00 0.00 175.26 174.34 1u8e s MET 348 N 2.07 2.07 -0.05 4.30 0.23 -1.26 -1.20 119.30 125.46 1u8e s MET 348 Ca 0.02 -2.30 -0.03 0.00 -1.03 0.00 0.00 55.69 52.35 1u8e s MET 348 Cb -0.16 -1.12 0.03 0.00 -1.53 0.00 0.00 34.83 32.05 1u8e s MET 348 CO -0.08 -0.41 0.12 0.45 -2.03 0.00 0.00 175.02 173.07 1u8e s SER 349 N -3.75 -0.10 -0.06 -1.18 0.15 -0.26 -4.95 113.70 103.55 1u8e s SER 349 Ca 0.14 0.24 0.17 0.00 0.70 0.00 0.00 55.95 57.21 1u8e s SER 349 Cb 0.02 0.18 -0.22 0.00 -1.71 0.00 0.00 66.02 64.30 1u8e s SER 349 CO 0.08 -0.10 0.50 0.35 1.20 0.00 0.00 173.24 175.28 1u8e n THR 350 N 3.68 1.19 0.98 6.45 -2.24 -1.26 -4.39 114.28 118.69 1u8e n THR 350 Ca -0.20 -0.74 0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1u8e n THR 350 Cb 0.55 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 1u8e n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1u8e n THR 351 N -2.79 0.00 0.00 4.28 -2.24 -1.26 -5.04 114.28 107.22 1u8e n THR 351 Ca -0.18 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1u8e n THR 351 Cb 0.95 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 1u8e n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8e n GLY 352 N 1.45 2.77 3.94 3.38 0.00 -1.26 -4.84 105.19 110.63 1u8e n GLY 352 Ca 0.06 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1u8e n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u8e s TRP 353 N 0.42 2.52 -0.12 1.61 -2.14 -1.26 -4.54 118.94 115.43 1u8e s TRP 353 Ca 0.00 -0.51 -0.22 0.00 2.66 0.00 0.00 56.10 58.03 1u8e s TRP 353 Cb 0.00 -2.22 -0.03 0.00 -3.10 0.00 0.00 33.47 28.11 1u8e s TRP 353 CO 0.00 -0.35 0.65 0.08 -2.66 0.00 0.00 176.95 174.67 1u8e s VAL 354 N -2.48 5.05 0.04 -0.66 1.01 -0.72 -4.80 120.40 117.84 1u8e s VAL 354 Ca 0.51 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1u8e s VAL 354 Cb -0.06 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1u8e s VAL 354 CO 0.30 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1u8e n GLY 355 N 3.35 -1.73 0.15 4.51 0.00 -1.26 -3.52 105.19 106.70 1u8e n GLY 355 Ca -0.02 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 1u8e n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u8e h ARG 356 N -0.13 -0.25 0.00 1.61 3.08 -1.95 -3.39 114.38 113.35 1u8e h ARG 356 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1u8e h ARG 356 Cb 0.13 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1u8e h ARG 356 CO 0.00 0.13 -0.37 1.19 -1.07 0.00 0.00 179.97 179.85 1u8e n PHE 357 N -5.01 0.00 -3.61 3.04 3.72 -1.26 -4.90 117.46 109.44 1u8e n PHE 357 Ca -0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.30 1u8e n PHE 357 Cb 0.26 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1u8e n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1u8e s ARG 358 N -1.18 0.39 0.29 -1.08 1.70 -1.24 -5.01 118.95 112.81 1u8e s ARG 358 Ca 0.00 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 1u8e s ARG 358 Cb 0.00 0.15 -0.14 0.00 -0.57 0.00 0.00 34.95 34.39 1u8e s ARG 358 CO 0.00 -0.17 1.02 -2.30 -1.08 0.00 0.00 175.30 172.76 1u8e n PRO 359 N -0.29 1.35 -1.79 3.89 -0.02 -1.23 -4.21 135.00 132.70 1u8e n PRO 359 Ca -0.04 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 1u8e n PRO 359 Cb 0.60 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.28 1u8e n PRO 359 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u8e s SER 360 N -0.54 5.05 0.21 2.55 0.15 -1.26 -4.98 113.70 114.87 1u8e s SER 360 Ca 0.59 2.69 -0.23 0.00 0.70 0.00 0.00 55.95 59.70 1u8e s SER 360 Cb -0.70 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 60.89 1u8e s SER 360 CO 0.60 -1.71 0.77 -0.70 1.20 0.00 0.00 173.24 173.39 1u8e s GLU 361 N -3.09 4.44 0.22 5.44 2.12 -1.26 -4.92 118.70 121.65 1u8e s GLU 361 Ca 0.76 1.06 -0.14 0.00 0.36 0.00 0.00 54.97 57.00 1u8e s GLU 361 Cb -0.39 -3.05 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 1u8e s GLU 361 CO 0.44 0.47 0.61 -1.25 -0.54 0.00 0.00 175.26 174.99 1u8e s PRO 362 N -1.59 3.96 -0.39 4.30 0.04 -1.26 -4.50 135.00 135.57 1u8e s PRO 362 Ca 0.40 0.51 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1u8e s PRO 362 Cb -0.20 -2.72 0.11 0.00 0.04 0.00 0.00 34.50 31.74 1u8e s PRO 362 CO 0.24 0.34 0.15 -1.01 0.04 0.00 0.00 177.00 176.76 1u8e s HIS 363 N -1.70 2.71 0.45 0.56 3.76 0.46 -4.93 115.29 116.60 1u8e s HIS 363 Ca 0.45 -2.58 -0.22 0.00 -0.15 0.00 0.00 55.06 52.56 1u8e s HIS 363 Cb -0.13 -2.36 -0.08 0.00 1.11 0.00 0.00 32.58 31.13 1u8e s HIS 363 CO 0.20 -0.85 1.10 -0.06 -0.85 0.00 0.00 174.74 174.28 1u8e s PHE 364 N 0.72 3.00 0.46 1.40 0.40 -1.26 -0.87 117.98 121.83 1u8e s PHE 364 Ca 0.13 1.58 -0.20 0.00 -0.60 0.00 0.00 56.93 57.84 1u8e s PHE 364 Cb -0.21 -3.24 -0.10 0.00 0.51 0.00 0.00 43.02 39.98 1u8e s PHE 364 CO -0.09 -1.12 0.99 0.95 0.70 0.00 0.00 175.22 176.65 1u8e s THR 365 N -1.67 4.14 0.25 0.64 -4.23 -0.12 -4.88 115.64 109.77 1u8e s THR 365 Ca 0.63 1.30 0.08 0.00 -1.18 0.00 0.00 61.69 62.53 1u8e s THR 365 Cb -0.24 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.34 1u8e s THR 365 CO 0.29 -0.32 1.14 -0.11 -0.54 0.00 0.00 174.62 175.08 1u8e n LEU 366 N -0.88 0.09 -0.10 4.79 -0.00 -1.26 0.14 117.00 119.79 1u8e n LEU 366 Ca 0.08 1.22 0.15 0.00 -0.00 0.00 0.00 56.01 57.46 1u8e n LEU 366 Cb 0.53 -0.52 0.82 0.00 -0.00 0.00 0.00 43.42 44.25 1u8e n LEU 366 CO 0.39 -1.30 1.03 -0.90 -0.00 0.00 0.00 177.39 176.61 1u8e n ASP 367 N -4.81 0.31 -0.89 1.96 5.75 -1.26 -4.92 116.55 112.69 1u8e n ASP 367 Ca 0.22 -0.95 -0.12 0.00 -0.01 0.00 0.00 54.79 53.94 1u8e n ASP 367 Cb 0.75 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.76 1u8e n ASP 367 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u8e n GLY 368 N 1.09 1.19 0.07 6.12 0.00 0.38 -4.87 105.19 109.18 1u8e n GLY 368 Ca 0.21 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1u8e n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u8e n ASN 369 N -0.68 1.09 -3.92 1.61 3.02 -1.26 -4.92 115.26 110.19 1u8e n ASN 369 Ca -0.12 -0.99 -0.09 0.00 -0.03 0.00 0.00 54.58 53.35 1u8e n ASN 369 Cb 0.49 0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 40.43 1u8e n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1u8e s SER 370 N -2.92 0.14 0.16 6.41 1.04 -1.26 -1.62 113.70 115.66 1u8e s SER 370 Ca 0.10 -0.78 -0.16 0.00 0.48 0.00 0.00 55.95 55.60 1u8e s SER 370 Cb 0.16 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1u8e s SER 370 CO 0.81 -0.76 0.45 0.72 0.98 0.00 0.00 173.24 175.43 1u8e s PHE 371 N -3.91 -0.08 -0.07 5.02 -0.12 0.14 -0.94 117.98 118.02 1u8e s PHE 371 Ca 0.10 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 1u8e s PHE 371 Cb 0.05 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1u8e s PHE 371 CO -0.07 -0.81 -0.14 0.71 -0.05 0.00 0.00 175.22 174.86 1u8e s TYR 372 N -3.86 2.74 -0.10 3.49 1.51 -0.05 -0.05 117.35 121.02 1u8e s TYR 372 Ca 0.08 -0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1u8e s TYR 372 Cb 0.01 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1u8e s TYR 372 CO -0.06 0.07 0.26 0.21 -1.11 0.00 0.00 175.55 174.93 1u8e s LYS 373 N -0.42 0.27 -0.10 -0.62 2.20 -1.03 -0.40 119.74 119.65 1u8e s LYS 373 Ca 0.05 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1u8e s LYS 373 Cb -0.12 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1u8e s LYS 373 CO 0.02 -0.09 1.05 0.42 -0.36 0.00 0.00 175.35 176.39 1u8e s ILE 374 N 0.63 4.68 0.05 5.43 1.01 -1.26 -1.91 121.20 129.83 1u8e s ILE 374 Ca -0.04 1.96 -0.06 0.00 0.00 0.00 0.00 60.65 62.50 1u8e s ILE 374 Cb -0.05 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1u8e s ILE 374 CO -0.04 -0.00 0.12 0.27 0.00 0.00 0.00 174.94 175.28 1u8e s ILE 375 N 2.11 0.15 -0.10 2.92 -4.36 -0.28 -4.51 121.20 117.12 1u8e s ILE 375 Ca 0.50 -1.21 -0.28 0.00 -0.26 0.00 0.00 60.65 59.39 1u8e s ILE 375 Cb -0.19 -1.13 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 1u8e s ILE 375 CO 0.18 -0.67 0.95 -0.94 0.24 0.00 0.00 174.94 174.70 1u8e s SER 376 N -2.47 7.19 0.91 4.36 1.04 -1.26 -1.10 113.70 122.38 1u8e s SER 376 Ca -0.00 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1u8e s SER 376 Cb 0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1u8e s SER 376 CO -0.07 -0.38 0.00 -0.46 0.98 0.00 0.00 173.24 173.31 1u8e n ASN 377 N 4.76 -0.88 0.27 7.02 2.04 0.30 -4.79 115.26 123.99 1u8e n ASN 377 Ca 0.07 -0.47 0.15 0.00 -0.44 0.00 0.00 54.58 53.88 1u8e n ASN 377 Cb 0.49 0.00 0.75 0.00 -2.53 0.00 0.00 39.78 38.49 1u8e n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1u8e h GLU 378 N 0.00 0.00 -0.41 -3.83 4.39 -1.96 -1.96 114.58 110.82 1u8e h GLU 378 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u8e h GLU 378 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1u8e h GLU 378 CO 0.00 0.09 0.00 -1.91 -1.16 0.00 0.00 179.01 176.03 1u8e n GLU 379 N -3.41 1.95 -1.04 2.33 0.00 -1.26 -4.88 120.64 114.33 1u8e n GLU 379 Ca -0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 57.16 55.74 1u8e n GLU 379 Cb 0.26 -1.33 -0.01 0.00 0.00 0.00 0.00 31.44 30.36 1u8e n GLU 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u8e n GLY 380 N 1.07 0.46 3.87 8.31 0.00 -0.73 -4.75 105.19 113.41 1u8e n GLY 380 Ca 0.13 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1u8e n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u8e s TYR 381 N -1.81 3.55 -0.29 1.61 1.51 -1.26 0.51 117.35 121.17 1u8e s TYR 381 Ca 0.00 0.46 -0.24 0.00 -1.01 0.00 0.00 57.07 56.28 1u8e s TYR 381 Cb 0.00 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1u8e s TYR 381 CO 0.00 0.70 0.82 1.03 -1.11 0.00 0.00 175.55 176.99 1u8e s ARG 382 N -1.21 4.01 0.13 -0.62 0.52 -1.26 0.11 118.95 120.64 1u8e s ARG 382 Ca 0.17 0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 56.08 1u8e s ARG 382 Cb -0.12 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 1u8e s ARG 382 CO 0.07 -0.67 0.02 -1.01 0.02 0.00 0.00 175.30 173.73 1u8e s HIS 383 N 2.99 0.92 -0.09 -0.53 3.76 -0.26 -1.57 115.29 120.52 1u8e s HIS 383 Ca 0.34 -1.13 -0.29 0.00 -0.15 0.00 0.00 55.06 53.83 1u8e s HIS 383 Cb -0.14 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 1u8e s HIS 383 CO 0.12 -0.39 0.97 0.42 -0.85 0.00 0.00 174.74 175.02 1u8e s ILE 384 N -3.89 4.82 0.01 0.60 1.01 -1.26 -1.13 121.20 121.36 1u8e s ILE 384 Ca 0.21 1.99 0.05 0.00 0.00 0.00 0.00 60.65 62.90 1u8e s ILE 384 Cb 0.07 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1u8e s ILE 384 CO 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 174.94 174.83 1u8e s TYR 386 N -0.58 3.41 0.09 0.00 5.04 0.19 -2.45 117.35 123.05 1u8e s TYR 386 Ca 0.05 1.14 0.07 0.00 -2.44 0.00 0.00 57.07 55.88 1u8e s TYR 386 Cb -0.07 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 39.28 1u8e s TYR 386 CO 0.00 -0.19 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.87 1u8e s PHE 387 N 1.97 2.76 -0.15 4.97 0.08 0.93 -1.20 117.98 127.34 1u8e s PHE 387 Ca 0.35 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.25 1u8e s PHE 387 Cb -0.16 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 1u8e s PHE 387 CO 0.12 0.42 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.88 1u8e s GLN 388 N -2.13 3.29 0.65 0.44 -0.21 -1.26 -0.68 119.66 119.76 1u8e s GLN 388 Ca 0.21 -0.71 0.18 0.00 0.02 0.00 0.00 55.36 55.06 1u8e s GLN 388 Cb -0.11 -2.67 0.93 0.00 1.00 0.00 0.00 33.01 32.16 1u8e s GLN 388 CO 0.13 0.05 1.52 -0.84 -2.12 0.00 0.00 175.29 174.04 1u8e h ILE 389 N 5.58 0.03 -0.06 1.08 3.07 -1.66 0.08 117.51 125.63 1u8e h ILE 389 Ca -0.32 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1u8e h ILE 389 Cb 1.19 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 1u8e h ILE 389 CO 0.57 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.77 1u8e n ASP 390 N -2.82 2.70 -3.99 2.16 5.75 -1.26 -4.02 116.55 115.07 1u8e n ASP 390 Ca 0.01 -3.02 -0.25 0.00 -0.01 0.00 0.00 54.79 51.51 1u8e n ASP 390 Cb 0.72 -0.44 -0.17 0.00 -1.03 0.00 0.00 41.12 40.20 1u8e n ASP 390 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1u8e s LYS 391 N -2.78 1.66 0.27 0.11 2.20 0.01 -4.87 119.74 116.33 1u8e s LYS 391 Ca 0.33 -0.37 0.12 0.00 -0.36 0.00 0.00 55.97 55.69 1u8e s LYS 391 Cb 0.28 -1.46 0.29 0.00 -1.51 0.00 0.00 37.83 35.44 1u8e s LYS 391 CO 0.04 -0.05 1.56 0.87 -0.36 0.00 0.00 175.35 177.41 1u8e h LYS 392 N 7.28 0.00 -5.74 4.03 1.79 -1.88 -3.39 116.57 118.66 1u8e h LYS 392 Ca -0.31 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.58 1u8e h LYS 392 Cb 1.17 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.74 1u8e h LYS 392 CO 0.46 0.63 0.02 -0.51 -1.08 0.00 0.00 179.45 178.97 1u8e s ASP 393 N -6.69 6.73 0.36 0.86 1.01 -1.26 -5.01 116.67 112.66 1u8e s ASP 393 Ca -0.00 0.88 0.06 0.00 0.71 0.00 0.00 52.55 54.19 1u8e s ASP 393 Cb 0.11 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1u8e s ASP 393 CO 0.76 -0.15 0.51 0.00 0.21 0.00 0.00 175.17 176.49 1u8e s THR 395 N -2.24 2.73 0.47 0.00 2.01 -0.34 -4.88 115.64 113.40 1u8e s THR 395 Ca 0.46 -0.93 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 1u8e s THR 395 Cb -0.10 -2.32 -0.07 0.00 0.01 0.00 0.00 72.50 70.03 1u8e s THR 395 CO 0.32 0.32 1.23 -0.36 -0.69 0.00 0.00 174.62 175.44 1u8e s PHE 396 N 1.34 2.74 0.00 4.92 0.08 -1.26 0.53 117.98 126.32 1u8e s PHE 396 Ca 0.02 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1u8e s PHE 396 Cb -0.15 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1u8e s PHE 396 CO -0.06 -1.91 0.68 0.44 -0.10 0.00 0.00 175.22 174.26 1u8e n ILE 397 N -0.50 0.45 -4.25 0.64 -5.35 0.23 -4.86 119.36 105.73 1u8e n ILE 397 Ca 0.07 -0.60 -0.20 0.00 -0.27 0.00 0.00 62.75 61.75 1u8e n ILE 397 Cb 0.47 0.87 -0.12 0.00 -1.74 0.00 0.00 39.64 39.11 1u8e n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1u8e s THR 398 N -0.45 1.26 0.00 7.28 -4.23 -1.25 -4.96 115.64 113.28 1u8e s THR 398 Ca 0.00 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1u8e s THR 398 Cb 0.00 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1u8e s THR 398 CO 0.00 -0.13 0.00 0.29 -0.54 0.00 0.00 174.62 174.24 1u8e n LYS 399 N 1.38 1.01 0.00 3.99 5.02 -1.26 -4.87 118.16 123.43 1u8e n LYS 399 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1u8e n LYS 399 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1u8e n LYS 399 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u8e n GLY 400 N 0.00 1.80 2.97 0.72 0.00 -1.26 -4.99 105.19 104.43 1u8e n GLY 400 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1u8e n GLY 400 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1u8e n THR 401 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.52 114.28 110.07 1u8e n THR 401 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1u8e n THR 401 Cb 0.00 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1u8e n THR 401 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1u8e n TRP 402 N 4.94 0.00 -4.07 -1.42 4.27 -1.26 -4.98 117.44 114.93 1u8e n TRP 402 Ca 0.04 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.56 1u8e n TRP 402 Cb 0.05 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.89 1u8e n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1u8e s GLU 403 N -2.00 0.55 -0.10 -2.67 2.02 -1.26 -4.53 118.70 110.71 1u8e s GLU 403 Ca 0.00 -0.96 -0.24 0.00 0.02 0.00 0.00 54.97 53.79 1u8e s GLU 403 Cb 0.00 -0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.17 1u8e s GLU 403 CO 0.00 -0.03 0.76 0.08 0.02 0.00 0.00 175.26 176.08 1u8e s VAL 404 N -2.54 4.98 -0.00 2.63 1.01 -0.61 -2.46 120.40 123.42 1u8e s VAL 404 Ca -0.03 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 1u8e s VAL 404 Cb -0.02 -4.09 -0.33 0.00 0.00 0.00 0.00 36.38 31.94 1u8e s VAL 404 CO -0.04 0.17 0.97 0.40 0.00 0.00 0.00 175.10 176.60 1u8e h ILE 405 N 4.92 1.38 -1.43 2.22 1.08 -0.56 -3.46 117.51 121.67 1u8e h ILE 405 Ca -0.37 -2.60 0.20 0.00 -0.39 0.00 0.00 64.86 61.70 1u8e h ILE 405 Cb 1.18 3.08 -0.22 0.00 -3.07 0.00 0.00 36.82 37.78 1u8e h ILE 405 CO 0.78 0.76 0.76 -0.83 -0.69 0.00 0.00 178.15 178.94 1u8e s GLY 406 N -4.50 -0.19 -0.25 5.37 0.00 -1.18 -5.00 107.32 101.57 1u8e s GLY 406 Ca -0.11 2.03 -0.22 0.00 0.00 0.00 0.00 44.72 46.42 1u8e s GLY 406 CO 0.90 0.81 0.70 -0.42 0.00 0.00 0.00 173.10 175.09 1u8e s ILE 407 N -1.73 4.93 -0.13 0.90 1.01 -1.26 -1.31 121.20 123.62 1u8e s ILE 407 Ca 0.06 1.28 0.20 0.00 0.00 0.00 0.00 60.65 62.19 1u8e s ILE 407 Cb -0.01 -4.00 -0.20 0.00 0.01 0.00 0.00 42.46 38.26 1u8e s ILE 407 CO -0.04 -0.01 0.61 -0.62 0.00 0.00 0.00 174.94 174.89 1u8e n GLU 408 N 5.81 0.64 -3.59 2.79 -0.58 -0.04 -4.97 120.64 120.71 1u8e n GLU 408 Ca 0.02 0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.68 1u8e n GLU 408 Cb 0.48 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 1u8e n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u8e s ALA 409 N -3.14 -1.96 -0.08 0.62 0.00 -1.03 -4.84 121.76 111.32 1u8e s ALA 409 Ca -0.05 1.64 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 1u8e s ALA 409 Cb 0.10 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1u8e s ALA 409 CO 0.84 -0.29 -0.04 -1.17 0.00 0.00 0.00 175.76 175.10 1u8e s LEU 410 N -1.05 1.03 0.00 0.00 0.20 -1.26 -0.63 118.68 116.97 1u8e s LEU 410 Ca -0.00 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.65 1u8e s LEU 410 Cb -0.01 -0.58 0.01 0.00 -0.43 0.00 0.00 46.19 45.18 1u8e s LEU 410 CO -0.00 -0.12 0.07 0.35 -0.29 0.00 0.00 176.35 176.36 1u8e n THR 411 N 4.69 0.00 0.20 3.68 -2.24 -0.36 -5.00 114.28 115.25 1u8e n THR 411 Ca -0.14 -1.97 0.06 0.00 -2.27 0.00 0.00 64.05 59.73 1u8e n THR 411 Cb 0.50 0.30 0.38 0.00 -2.10 0.00 0.00 70.33 69.42 1u8e n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u8e h SER 412 N 0.93 0.00 0.00 3.42 4.64 -2.00 -3.37 113.55 117.16 1u8e h SER 412 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1u8e h SER 412 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1u8e h SER 412 CO 0.56 0.35 -0.51 0.47 -0.87 0.00 0.00 176.83 176.83 1u8e n ASP 413 N -3.61 1.23 -4.77 4.97 9.92 -1.26 -4.91 116.55 118.12 1u8e n ASP 413 Ca -0.01 0.35 -0.24 0.00 -0.53 0.00 0.00 54.79 54.36 1u8e n ASP 413 Cb 0.47 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 1u8e n ASP 413 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1u8e s TYR 414 N -2.05 2.59 -0.11 1.24 1.51 -1.26 -1.22 117.35 118.05 1u8e s TYR 414 Ca -0.15 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 1u8e s TYR 414 Cb 0.02 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1u8e s TYR 414 CO 0.22 0.11 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.48 1u8e s LEU 415 N -3.96 1.51 -0.11 -1.29 0.20 -0.71 -1.22 118.68 113.10 1u8e s LEU 415 Ca 0.42 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.77 1u8e s LEU 415 Cb 0.02 -0.97 -0.05 0.00 -0.43 0.00 0.00 46.19 44.77 1u8e s LEU 415 CO 0.23 -0.04 0.20 -0.31 -0.29 0.00 0.00 176.35 176.14 1u8e s TYR 416 N 1.28 3.59 0.15 5.38 1.51 0.20 -1.45 117.35 127.99 1u8e s TYR 416 Ca -0.02 0.60 -0.14 0.00 -1.01 0.00 0.00 57.07 56.50 1u8e s TYR 416 Cb -0.14 -2.07 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1u8e s TYR 416 CO -0.05 0.62 0.39 1.52 -1.11 0.00 0.00 175.55 176.92 1u8e s TYR 417 N -0.71 -0.05 -0.02 2.71 -0.85 -0.70 -0.86 117.35 116.87 1u8e s TYR 417 Ca 0.16 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 1u8e s TYR 417 Cb -0.13 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1u8e s TYR 417 CO 0.05 -0.74 -0.08 0.42 -1.52 0.00 0.00 175.55 173.67 1u8e s ILE 418 N -3.85 3.55 0.29 -3.49 1.01 -0.43 -0.22 121.20 118.06 1u8e s ILE 418 Ca 0.07 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1u8e s ILE 418 Cb 0.02 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1u8e s ILE 418 CO -0.08 0.48 0.48 -0.94 0.00 0.00 0.00 174.94 174.88 1u8e s SER 419 N -1.15 0.26 -0.29 3.58 1.04 -0.72 0.23 113.70 116.65 1u8e s SER 419 Ca 0.15 -1.16 0.09 0.00 0.48 0.00 0.00 55.95 55.51 1u8e s SER 419 Cb -0.11 0.62 0.51 0.00 0.10 0.00 0.00 66.02 67.14 1u8e s SER 419 CO 0.05 -1.21 1.48 -0.46 0.98 0.00 0.00 173.24 174.07 1u8e n ASN 420 N -0.78 2.53 -0.21 7.02 0.23 -1.03 -1.60 115.26 121.43 1u8e n ASN 420 Ca -0.01 -3.76 -0.09 0.00 -0.53 0.00 0.00 54.58 50.19 1u8e n ASN 420 Cb 0.62 -0.64 0.03 0.00 -2.08 0.00 0.00 39.78 37.71 1u8e n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1u8e h GLU 421 N 1.02 1.07 -6.26 -3.83 4.81 -1.84 -3.27 114.58 106.28 1u8e h GLU 421 Ca 0.23 -0.34 -0.68 0.00 -0.13 0.00 0.00 59.36 58.44 1u8e h GLU 421 Cb 1.69 -0.10 0.05 0.00 0.63 0.00 0.00 28.75 31.02 1u8e h GLU 421 CO 0.41 1.04 0.55 0.98 -0.73 0.00 0.00 179.01 181.26 1u8e n TYR 422 N -4.18 1.65 -1.19 0.92 9.36 -1.26 -0.48 117.16 121.98 1u8e n TYR 422 Ca 0.03 0.59 -0.09 0.00 3.32 0.00 0.00 57.90 61.75 1u8e n TYR 422 Cb 0.35 -2.37 -0.04 0.00 -0.63 0.00 0.00 39.34 36.65 1u8e n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1u8e n LYS 423 N 3.09 -1.66 -3.17 2.98 4.01 -1.26 -1.79 118.16 120.35 1u8e n LYS 423 Ca 0.20 0.74 -0.23 0.00 -0.51 0.00 0.00 58.31 58.51 1u8e n LYS 423 Cb 0.19 -4.99 0.03 0.00 -0.51 0.00 0.00 35.03 29.75 1u8e n LYS 423 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u8e n GLY 424 N 0.20 -0.52 3.26 0.72 0.00 0.37 -4.94 105.19 104.28 1u8e n GLY 424 Ca -0.09 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1u8e n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u8e s MET 425 N -5.85 2.66 0.54 1.61 -1.94 -0.74 -4.95 119.30 110.63 1u8e s MET 425 Ca 0.36 -1.64 0.33 0.00 -1.71 0.00 0.00 55.69 53.03 1u8e s MET 425 Cb -0.17 -3.99 1.81 0.00 2.01 0.00 0.00 34.83 34.49 1u8e s MET 425 CO 0.44 -1.15 2.01 -1.00 -0.01 0.00 0.00 175.02 175.32 1u8e h PRO 426 N 8.56 0.00 -0.64 2.03 0.13 -1.89 -0.33 132.00 139.86 1u8e h PRO 426 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1u8e h PRO 426 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1u8e h PRO 426 CO 0.88 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 1u8e n GLY 427 N -1.18 2.17 3.86 1.56 0.00 -1.26 -4.90 105.19 105.43 1u8e n GLY 427 Ca -0.02 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1u8e n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u8e s GLY 428 N -1.11 1.53 -0.05 -0.02 0.00 -0.14 -2.46 107.32 105.07 1u8e s GLY 428 Ca 0.45 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 1u8e s GLY 428 CO 0.32 -1.47 0.10 -1.60 0.00 0.00 0.00 173.10 170.45 1u8e s ARG 429 N -3.94 0.04 0.04 2.90 6.06 0.14 -4.20 118.95 119.99 1u8e s ARG 429 Ca 0.37 0.28 -0.04 0.00 -2.50 0.00 0.00 55.73 53.84 1u8e s ARG 429 Cb -0.07 -0.19 -0.02 0.00 0.06 0.00 0.00 34.95 34.73 1u8e s ARG 429 CO 0.26 -0.15 0.06 -0.80 -2.50 0.00 0.00 175.30 172.17 1u8e s ASN 430 N 1.05 0.25 -0.24 -2.12 0.01 -0.63 -0.89 114.94 112.37 1u8e s ASN 430 Ca -0.08 -0.65 -0.17 0.00 -0.71 0.00 0.00 52.86 51.25 1u8e s ASN 430 Cb -0.11 0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.73 1u8e s ASN 430 CO -0.04 -0.53 0.45 -0.22 -1.51 0.00 0.00 177.10 175.25 1u8e s LEU 431 N -2.31 4.08 0.40 0.60 2.96 -1.26 -1.75 118.68 121.40 1u8e s LEU 431 Ca -0.02 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 1u8e s LEU 431 Cb 0.01 -2.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 1u8e s LEU 431 CO -0.06 -0.19 0.03 -0.31 -1.32 0.00 0.00 176.35 174.49 1u8e s TYR 432 N 1.92 2.52 -0.12 5.38 1.51 0.69 -0.52 117.35 128.73 1u8e s TYR 432 Ca 0.19 -0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 1u8e s TYR 432 Cb -0.15 -1.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1u8e s TYR 432 CO 0.09 0.42 0.27 -1.59 -1.11 0.00 0.00 175.55 173.63 1u8e s LYS 433 N -3.73 0.20 -0.04 -0.62 -2.85 0.20 -1.72 119.74 111.19 1u8e s LYS 433 Ca 0.36 0.63 0.02 0.00 -1.00 0.00 0.00 55.97 55.97 1u8e s LYS 433 Cb 0.07 -0.08 -0.03 0.00 -2.06 0.00 0.00 37.83 35.73 1u8e s LYS 433 CO 0.19 -0.20 -0.06 -1.50 0.10 0.00 0.00 175.35 173.88 1u8e s ILE 434 N 1.65 3.76 -0.33 3.79 2.07 -0.53 -0.90 121.20 130.71 1u8e s ILE 434 Ca -0.06 -0.58 -0.29 0.00 -1.41 0.00 0.00 60.65 58.31 1u8e s ILE 434 Cb -0.11 -2.59 0.01 0.00 0.13 0.00 0.00 42.46 39.91 1u8e s ILE 434 CO -0.09 0.51 1.14 -1.58 -1.91 0.00 0.00 174.94 173.01 1u8e s GLN 435 N -1.10 4.00 0.54 3.50 0.74 -0.38 -1.75 119.66 125.22 1u8e s GLN 435 Ca 0.15 1.07 0.25 0.00 0.05 0.00 0.00 55.36 56.88 1u8e s GLN 435 Cb -0.11 -3.79 1.42 0.00 1.10 0.00 0.00 33.01 31.63 1u8e s GLN 435 CO 0.04 -1.00 2.02 -0.07 -0.55 0.00 0.00 175.29 175.74 1u8e h LEU 436 N 10.38 0.00 0.00 3.68 4.07 -1.51 -1.46 115.31 130.48 1u8e h LEU 436 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1u8e h LEU 436 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1u8e h LEU 436 CO 1.04 0.00 -0.74 0.77 -1.08 0.00 0.00 178.44 178.43 1u8e h SER 437 N 0.00 0.00 -2.01 -0.43 4.64 -1.92 -3.43 113.55 110.41 1u8e h SER 437 Ca 0.20 -0.10 -0.34 0.00 -0.47 0.00 0.00 61.79 61.08 1u8e h SER 437 Cb 0.84 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.62 1u8e h SER 437 CO -0.00 0.05 -0.66 -0.62 -0.87 0.00 0.00 176.83 174.73 1u8e s ASP 438 N -4.89 1.30 0.50 4.97 2.15 -0.56 -5.01 116.67 115.13 1u8e s ASP 438 Ca 0.03 -1.18 0.31 0.00 0.43 0.00 0.00 52.55 52.14 1u8e s ASP 438 Cb 0.11 0.58 1.67 0.00 -0.30 0.00 0.00 42.92 44.98 1u8e s ASP 438 CO 0.75 -0.32 1.93 1.88 -0.17 0.00 0.00 175.17 179.24 1u8e h TYR 439 N 7.60 0.00 0.00 -5.34 0.05 -1.82 0.10 116.97 117.56 1u8e h TYR 439 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1u8e h TYR 439 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1u8e h TYR 439 CO 0.30 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.66 1u8e n THR 440 N -2.63 0.72 -3.26 -2.88 -2.24 -1.26 -4.39 114.28 98.33 1u8e n THR 440 Ca -0.02 0.10 -0.46 0.00 -2.27 0.00 0.00 64.05 61.40 1u8e n THR 440 Cb 0.13 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 1u8e n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u8e s LYS 441 N -3.15 3.23 -0.07 -0.78 -0.14 0.02 -5.02 119.74 113.83 1u8e s LYS 441 Ca 0.07 -1.89 0.04 0.00 -1.36 0.00 0.00 55.97 52.83 1u8e s LYS 441 Cb 0.11 -4.37 0.00 0.00 -1.68 0.00 0.00 37.83 31.89 1u8e s LYS 441 CO 0.42 -1.38 -0.20 0.08 -0.76 0.00 0.00 175.35 173.51 1u8e s VAL 442 N 1.38 1.70 0.07 3.17 1.01 -1.26 -1.25 120.40 125.21 1u8e s VAL 442 Ca 0.11 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1u8e s VAL 442 Cb -0.21 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1u8e s VAL 442 CO -0.01 0.48 -0.23 -0.89 0.00 0.00 0.00 175.10 174.45 1u8e s THR 443 N 0.24 1.88 -0.29 3.92 2.01 -0.08 -4.97 115.64 118.35 1u8e s THR 443 Ca -0.11 -1.39 -0.09 0.00 0.31 0.00 0.00 61.69 60.41 1u8e s THR 443 Cb -0.15 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1u8e s THR 443 CO 0.05 0.18 0.13 0.00 -0.69 0.00 0.00 174.62 174.29 1u8e n LEU 445 N 4.97 0.73 -0.02 0.00 7.99 0.32 -4.38 117.00 126.61 1u8e n LEU 445 Ca -0.15 0.38 -0.01 0.00 -0.01 0.00 0.00 56.01 56.23 1u8e n LEU 445 Cb 0.50 -0.25 -0.03 0.00 -0.11 0.00 0.00 43.42 43.53 1u8e n LEU 445 CO 0.33 -0.10 -0.61 -1.54 -1.51 0.00 0.00 177.39 173.95 1u8e n SER 446 N -2.14 3.96 -0.34 -1.43 3.41 -1.19 -4.70 113.62 111.18 1u8e n SER 446 Ca 0.04 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.80 1u8e n SER 446 Cb 0.43 0.78 0.29 0.00 -0.26 0.00 0.00 64.21 65.45 1u8e n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8e n GLU 448 N -5.48 2.38 -0.24 0.00 4.71 -1.26 -4.10 120.64 116.65 1u8e n GLU 448 Ca 0.23 -2.08 -0.00 0.00 -0.01 0.00 0.00 57.16 55.29 1u8e n GLU 448 Cb 0.75 -1.48 0.11 0.00 -1.01 0.00 0.00 31.44 29.82 1u8e n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1u8e h LEU 449 N 4.55 0.51 -5.00 -4.62 3.38 -1.70 -3.38 115.31 109.05 1u8e h LEU 449 Ca 0.00 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1u8e h LEU 449 Cb 0.99 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1u8e h LEU 449 CO 0.00 0.31 -0.31 -3.20 0.09 0.00 0.00 178.44 175.33 1u8e n ASN 450 N -4.82 -2.40 -0.33 -0.43 2.85 -1.26 -5.05 115.26 103.81 1u8e n ASN 450 Ca 0.09 -2.35 0.34 0.00 -0.11 0.00 0.00 54.58 52.56 1u8e n ASN 450 Cb 0.21 1.33 0.72 0.00 1.24 0.00 0.00 39.78 43.29 1u8e n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1u8e h PRO 451 N 4.14 0.04 0.04 1.20 0.13 -1.76 0.42 132.00 136.22 1u8e h PRO 451 Ca -0.08 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 1u8e h PRO 451 Cb 1.12 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1u8e h PRO 451 CO 0.03 0.03 -0.44 1.49 -0.23 0.00 0.00 178.00 178.88 1u8e h GLU 452 N 0.05 0.22 0.00 0.86 4.22 -1.97 -3.37 114.58 114.59 1u8e h GLU 452 Ca 0.58 -0.30 -0.07 0.00 0.08 0.00 0.00 59.36 59.65 1u8e h GLU 452 Cb 2.22 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.55 1u8e h GLU 452 CO -0.05 1.07 -0.90 -0.09 -2.18 0.00 0.00 179.01 176.86 1u8e h ARG 453 N -0.48 0.00 -3.99 1.92 2.43 -1.78 -3.42 114.38 109.06 1u8e h ARG 453 Ca -0.07 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.57 1u8e h ARG 453 Cb 1.26 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.43 1u8e h ARG 453 CO 0.09 0.17 -0.78 0.00 -1.51 0.00 0.00 179.97 177.94 1u8e n GLN 455 N 4.95 0.25 -3.65 0.00 6.02 0.61 -4.36 117.38 121.19 1u8e n GLN 455 Ca -0.11 -0.44 -0.27 0.00 -0.01 0.00 0.00 57.00 56.18 1u8e n GLN 455 Cb 0.48 -0.62 -0.17 0.00 1.02 0.00 0.00 30.24 30.96 1u8e n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1u8e s TYR 456 N -0.12 0.51 0.10 1.08 6.14 -1.15 0.23 117.35 124.14 1u8e s TYR 456 Ca 0.00 -0.56 0.09 0.00 0.64 0.00 0.00 57.07 57.24 1u8e s TYR 456 Cb 0.00 -0.84 -0.04 0.00 0.42 0.00 0.00 41.96 41.51 1u8e s TYR 456 CO 0.00 -0.57 -0.24 0.71 0.64 0.00 0.00 175.55 176.09 1u8e s TYR 457 N 2.03 2.07 0.15 4.97 2.02 -0.07 -1.02 117.35 127.50 1u8e s TYR 457 Ca 0.02 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 1u8e s TYR 457 Cb -0.16 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1u8e s TYR 457 CO -0.11 0.24 -0.12 -1.54 -1.57 0.00 0.00 175.55 172.45 1u8e s SER 458 N -1.80 1.97 0.04 2.29 1.04 -0.31 -4.55 113.70 112.38 1u8e s SER 458 Ca 0.10 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1u8e s SER 458 Cb -0.10 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1u8e s SER 458 CO 0.04 -0.26 -0.04 0.54 0.98 0.00 0.00 173.24 174.50 1u8e s VAL 459 N -3.00 0.28 -0.25 5.02 0.11 -1.26 -0.74 120.40 120.57 1u8e s VAL 459 Ca 0.16 -1.37 -0.04 0.00 -2.93 0.00 0.00 61.98 57.80 1u8e s VAL 459 Cb 0.00 -0.92 0.08 0.00 -1.53 0.00 0.00 36.38 34.01 1u8e s VAL 459 CO 0.02 -0.70 0.10 -0.55 -3.33 0.00 0.00 175.10 170.64 1u8e s SER 460 N -2.18 3.19 0.52 3.54 0.15 -0.38 -4.97 113.70 113.57 1u8e s SER 460 Ca -0.04 -1.09 -0.09 0.00 0.70 0.00 0.00 55.95 55.44 1u8e s SER 460 Cb -0.02 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 1u8e s SER 460 CO -0.04 -0.39 0.89 -0.36 1.20 0.00 0.00 173.24 174.53 1u8e s PHE 461 N 2.01 3.57 0.84 3.44 0.40 -1.26 -0.53 117.98 126.44 1u8e s PHE 461 Ca 0.06 1.07 -0.12 0.00 -0.60 0.00 0.00 56.93 57.34 1u8e s PHE 461 Cb -0.16 -2.51 0.10 0.00 0.51 0.00 0.00 43.02 40.96 1u8e s PHE 461 CO -0.23 -0.41 1.16 -1.54 0.70 0.00 0.00 175.22 174.89 1u8e s SER 462 N -3.91 4.16 0.38 1.36 1.04 0.06 -4.84 113.70 111.94 1u8e s SER 462 Ca 0.52 0.89 0.22 0.00 0.48 0.00 0.00 55.95 58.06 1u8e s SER 462 Cb -0.11 -1.44 1.34 0.00 0.10 0.00 0.00 66.02 65.92 1u8e s SER 462 CO 0.45 -2.13 1.59 0.11 0.98 0.00 0.00 173.24 174.24 1u8e h LYS 463 N -1.21 0.05 -0.05 4.02 1.79 -1.71 0.39 116.57 119.84 1u8e h LYS 463 Ca -0.48 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1u8e h LYS 463 Cb 1.32 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1u8e h LYS 463 CO 0.64 0.03 -0.01 0.39 -1.08 0.00 0.00 179.45 179.42 1u8e n GLU 464 N -5.13 1.60 -1.43 3.15 -0.58 -1.26 -4.95 120.64 112.04 1u8e n GLU 464 Ca 0.37 -2.65 -0.15 0.00 -0.42 0.00 0.00 57.16 54.31 1u8e n GLU 464 Cb 1.29 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 30.53 1u8e n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u8e n ALA 465 N -1.25 -0.22 0.06 0.62 0.00 0.13 -4.86 120.51 114.98 1u8e n ALA 465 Ca 0.17 0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.81 1u8e n ALA 465 Cb 0.69 -1.65 0.17 0.00 0.00 0.00 0.00 19.45 18.66 1u8e n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1u8e h LYS 466 N 0.02 0.34 -4.90 0.00 3.64 -1.80 -3.41 116.57 110.46 1u8e h LYS 466 Ca -0.30 -0.18 -0.34 0.00 -1.27 0.00 0.00 60.65 58.56 1u8e h LYS 466 Cb 1.01 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.69 1u8e h LYS 466 CO 0.44 0.73 -0.63 0.71 -2.27 0.00 0.00 179.45 178.43 1u8e s TYR 467 N -4.11 1.48 -0.23 1.91 2.02 -1.26 0.63 117.35 117.79 1u8e s TYR 467 Ca -0.05 -1.10 -0.26 0.00 -0.37 0.00 0.00 57.07 55.28 1u8e s TYR 467 Cb 0.13 -0.87 0.09 0.00 -0.40 0.00 0.00 41.96 40.91 1u8e s TYR 467 CO 0.79 -0.25 0.81 1.52 -1.57 0.00 0.00 175.55 176.85 1u8e s TYR 468 N -3.67 -0.66 -0.13 2.71 1.13 -0.19 -0.76 117.35 115.78 1u8e s TYR 468 Ca 0.33 1.53 -0.11 0.00 -1.41 0.00 0.00 57.07 57.41 1u8e s TYR 468 Cb 0.07 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 1u8e s TYR 468 CO 0.11 -0.37 0.23 -1.14 -2.51 0.00 0.00 175.55 171.87 1u8e s GLN 469 N 0.02 3.94 -0.17 -3.49 0.74 0.31 -0.87 119.66 120.13 1u8e s GLN 469 Ca -0.01 0.02 -0.06 0.00 0.05 0.00 0.00 55.36 55.35 1u8e s GLN 469 Cb -0.04 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1u8e s GLN 469 CO 0.00 0.49 0.04 -0.51 -0.55 0.00 0.00 175.29 174.76 1u8e s LEU 470 N -0.27 3.70 -0.33 3.68 1.43 0.33 -1.25 118.68 125.97 1u8e s LEU 470 Ca 0.16 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1u8e s LEU 470 Cb -0.13 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.25 1u8e s LEU 470 CO 0.04 0.19 0.04 -0.13 0.23 0.00 0.00 176.35 176.72 1u8e s ARG 471 N 0.24 2.04 -0.09 1.70 0.52 0.08 -1.86 118.95 121.58 1u8e s ARG 471 Ca 0.02 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 53.47 1u8e s ARG 471 Cb -0.13 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 1u8e s ARG 471 CO 0.01 -0.80 0.55 0.00 0.02 0.00 0.00 175.30 175.08 1u8e n SER 473 N 3.61 2.05 0.00 0.00 3.41 -0.19 -1.96 113.62 120.55 1u8e n SER 473 Ca -0.05 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1u8e n SER 473 Cb 0.51 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1u8e n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8e n GLY 474 N -0.71 1.79 0.00 5.00 0.00 -1.26 -0.66 105.19 109.35 1u8e n GLY 474 Ca 0.04 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 44.94 1u8e n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u8e n PRO 475 N -1.12 0.23 -0.82 1.61 -0.04 -0.60 -0.29 135.00 133.97 1u8e n PRO 475 Ca 0.00 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1u8e n PRO 475 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1u8e n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u8e n GLY 476 N 0.43 0.66 3.77 0.55 0.00 -0.59 -4.62 105.19 105.38 1u8e n GLY 476 Ca 0.08 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1u8e n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8e s LEU 477 N 0.00 4.22 0.12 0.99 1.43 -1.26 -4.60 118.68 119.57 1u8e s LEU 477 Ca 0.08 2.51 -0.35 0.00 -1.03 0.00 0.00 54.13 55.34 1u8e s LEU 477 Cb -0.00 -3.94 -0.17 0.00 0.03 0.00 0.00 46.19 42.11 1u8e s LEU 477 CO 0.05 -0.75 1.18 -2.65 0.23 0.00 0.00 176.35 174.41 1u8e n PRO 478 N 0.15 0.91 -4.09 1.29 -0.02 -1.26 -4.77 135.00 127.21 1u8e n PRO 478 Ca 0.04 0.33 -0.26 0.00 -2.02 0.00 0.00 63.50 61.59 1u8e n PRO 478 Cb 0.45 -1.85 -0.17 0.00 -0.02 0.00 0.00 33.50 31.91 1u8e n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u8e s LEU 479 N 0.61 1.28 -0.16 2.45 2.96 -0.83 -4.07 118.68 120.92 1u8e s LEU 479 Ca 0.80 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1u8e s LEU 479 Cb -0.96 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1u8e s LEU 479 CO 0.51 -0.08 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.09 1u8e s TYR 480 N 1.40 2.95 0.10 5.38 1.51 0.12 -1.55 117.35 127.27 1u8e s TYR 480 Ca -0.01 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1u8e s TYR 480 Cb -0.13 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1u8e s TYR 480 CO -0.04 -0.15 -0.09 0.95 -1.11 0.00 0.00 175.55 175.11 1u8e s THR 481 N 0.51 0.84 -0.06 -0.71 -4.23 -0.78 -0.10 115.64 111.11 1u8e s THR 481 Ca -0.05 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1u8e s THR 481 Cb -0.15 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1u8e s THR 481 CO 0.03 -0.67 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.07 1u8e s LEU 482 N -2.66 2.71 0.03 4.79 2.96 -0.60 -0.51 118.68 125.41 1u8e s LEU 482 Ca 0.07 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1u8e s LEU 482 Cb -0.00 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1u8e s LEU 482 CO -0.02 0.32 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.26 1u8e s HIS 483 N -0.60 0.67 -0.15 5.38 3.76 -0.05 -0.44 115.29 123.85 1u8e s HIS 483 Ca 0.09 -0.42 -0.09 0.00 -0.15 0.00 0.00 55.06 54.49 1u8e s HIS 483 Cb -0.11 -0.40 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 1u8e s HIS 483 CO 0.01 -0.06 0.14 -1.54 -0.85 0.00 0.00 174.74 172.44 1u8e s SER 484 N -1.30 6.32 0.30 1.40 1.04 -1.02 -1.02 113.70 119.42 1u8e s SER 484 Ca -0.07 0.37 0.26 0.00 0.48 0.00 0.00 55.95 56.99 1u8e s SER 484 Cb -0.08 -2.08 1.00 0.00 0.10 0.00 0.00 66.02 64.96 1u8e s SER 484 CO 0.00 0.30 1.76 0.28 0.98 0.00 0.00 173.24 176.57 1u8e h SER 485 N 5.74 0.00 -0.16 7.02 0.02 -0.04 -0.62 113.55 125.51 1u8e h SER 485 Ca -0.49 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1u8e h SER 485 Cb 1.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 1u8e h SER 485 CO 0.66 0.00 -0.18 0.58 -1.14 0.00 0.00 176.83 176.76 1u8e h VAL 486 N 0.00 0.53 0.00 2.27 2.07 -1.91 -3.31 116.25 115.90 1u8e h VAL 486 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1u8e h VAL 486 Cb 0.45 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1u8e h VAL 486 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 1u8e n ASN 487 N -5.32 0.86 -1.60 0.57 3.02 -1.25 -4.98 115.26 106.55 1u8e n ASN 487 Ca -0.02 -1.19 -0.15 0.00 -0.03 0.00 0.00 54.58 53.19 1u8e n ASN 487 Cb 0.24 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1u8e n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1u8e n ASP 488 N -0.09 -4.67 -4.75 6.41 8.00 -0.25 -4.95 116.55 116.25 1u8e n ASP 488 Ca 0.00 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 1u8e n ASP 488 Cb 0.15 -3.74 -0.03 0.00 -0.02 0.00 0.00 41.12 37.49 1u8e n ASP 488 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1u8e s LYS 489 N -4.39 4.41 -0.44 -1.24 2.20 -1.18 -4.80 119.74 114.30 1u8e s LYS 489 Ca 0.00 2.07 -0.29 0.00 -0.36 0.00 0.00 55.97 57.39 1u8e s LYS 489 Cb 0.00 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1u8e s LYS 489 CO 0.00 -0.16 1.19 0.20 -0.36 0.00 0.00 175.35 176.22 1u8e s GLY 490 N -0.12 1.29 0.07 5.54 0.00 -1.26 -2.42 107.32 110.41 1u8e s GLY 490 Ca 0.52 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 1u8e s GLY 490 CO 0.44 2.47 1.47 1.41 0.00 0.00 0.00 173.10 178.89 1u8e h LEU 491 N 11.27 0.38 -7.07 0.66 3.38 -1.11 -3.49 115.31 119.33 1u8e h LEU 491 Ca -0.24 -0.35 0.37 0.00 0.09 0.00 0.00 57.88 57.75 1u8e h LEU 491 Cb 1.07 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1u8e h LEU 491 CO 1.11 0.64 0.94 0.00 0.09 0.00 0.00 178.44 181.22 1u8e s ARG 492 N -4.81 0.14 -0.27 1.13 1.70 -1.21 -5.02 118.95 110.61 1u8e s ARG 492 Ca -0.14 -0.08 -0.17 0.00 -0.47 0.00 0.00 55.73 54.88 1u8e s ARG 492 Cb 0.06 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.47 1u8e s ARG 492 CO 0.74 -0.06 0.48 0.08 -1.08 0.00 0.00 175.30 175.45 1u8e s VAL 493 N -2.15 5.09 0.04 4.99 1.01 -1.26 -1.55 120.40 126.57 1u8e s VAL 493 Ca 0.14 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1u8e s VAL 493 Cb 0.06 -3.80 -0.25 0.00 0.00 0.00 0.00 36.38 32.39 1u8e s VAL 493 CO -0.06 0.08 1.01 -0.07 0.00 0.00 0.00 175.10 176.06 1u8e h LEU 494 N 8.76 0.23 -6.87 3.92 3.38 -0.85 -3.47 115.31 120.41 1u8e h LEU 494 Ca -0.30 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.48 1u8e h LEU 494 Cb 1.14 -0.07 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 1u8e h LEU 494 CO 0.70 1.24 0.10 -0.70 0.09 0.00 0.00 178.44 179.87 1u8e s GLU 495 N -2.65 0.49 0.00 1.13 2.56 -1.00 -4.98 118.70 114.26 1u8e s GLU 495 Ca -0.05 1.05 0.01 0.00 0.00 0.00 0.00 54.97 55.98 1u8e s GLU 495 Cb 0.08 0.43 0.02 0.00 2.00 0.00 0.00 34.13 36.66 1u8e s GLU 495 CO 0.85 -0.14 0.87 -0.40 -0.56 0.00 0.00 175.26 175.88 1u8e n ASP 496 N 4.69 1.78 -3.92 -1.70 5.75 -1.26 0.12 116.55 122.00 1u8e n ASP 496 Ca -0.15 -1.70 -0.29 0.00 -0.01 0.00 0.00 54.79 52.64 1u8e n ASP 496 Cb 0.54 -0.01 0.02 0.00 -1.03 0.00 0.00 41.12 40.63 1u8e n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1u8e n ASN 497 N -0.26 -3.43 0.04 -1.12 3.02 -1.26 -4.83 115.26 107.41 1u8e n ASN 497 Ca 0.01 -0.84 -0.03 0.00 -0.03 0.00 0.00 54.58 53.68 1u8e n ASN 497 Cb 0.19 -3.68 0.20 0.00 -0.61 0.00 0.00 39.78 35.89 1u8e n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1u8e h SER 498 N -1.94 0.43 0.87 6.41 4.64 -1.94 -1.90 113.55 120.11 1u8e h SER 498 Ca -0.59 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 60.53 1u8e h SER 498 Cb 1.37 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1u8e h SER 498 CO 0.66 0.72 -0.46 0.00 -0.87 0.00 0.00 176.83 176.88 1u8e h ALA 499 N 1.32 -1.23 -0.30 5.18 0.00 -2.00 -2.36 119.26 119.86 1u8e h ALA 499 Ca 0.05 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1u8e h ALA 499 Cb 0.72 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1u8e h ALA 499 CO 0.06 -1.20 -0.31 1.25 0.00 0.00 0.00 179.25 179.04 1u8e h LEU 500 N -1.22 -1.02 -0.89 0.00 5.85 -1.85 -1.51 115.31 114.67 1u8e h LEU 500 Ca -0.12 0.17 0.24 0.00 0.84 0.00 0.00 57.88 59.01 1u8e h LEU 500 Cb 0.95 0.47 -0.16 0.00 0.37 0.00 0.00 40.66 42.29 1u8e h LEU 500 CO 0.17 -0.33 0.11 -0.78 -0.34 0.00 0.00 178.44 177.27 1u8e h ASP 501 N -0.29 -0.26 -0.32 1.25 3.58 -1.18 0.13 116.42 119.32 1u8e h ASP 501 Ca 0.15 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1u8e h ASP 501 Cb 0.53 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1u8e h ASP 501 CO -0.47 -0.25 0.20 0.50 -2.88 0.00 0.00 179.24 176.35 1u8e h LYS 502 N 0.10 0.42 -0.30 0.28 3.11 -0.74 -2.89 116.57 116.56 1u8e h LYS 502 Ca 0.54 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.35 1u8e h LYS 502 Cb 1.09 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 1u8e h LYS 502 CO -0.77 0.31 0.20 0.52 -2.81 0.00 0.00 179.45 176.90 1u8e h MET 503 N 0.42 0.40 0.00 1.90 2.86 -0.55 -2.95 114.93 117.00 1u8e h MET 503 Ca 0.11 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1u8e h MET 503 Cb -0.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1u8e h MET 503 CO -0.02 0.27 -0.03 -0.07 1.06 0.00 0.00 176.91 178.11 1u8e h LEU 504 N 0.41 0.00 -0.33 1.22 3.38 -1.15 -0.94 115.31 117.90 1u8e h LEU 504 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1u8e h LEU 504 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1u8e h LEU 504 CO -0.02 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1u8e n GLN 505 N -3.37 0.16 -0.21 1.13 10.64 -1.10 -1.99 117.38 122.63 1u8e n GLN 505 Ca -0.02 0.30 0.09 0.00 -1.83 0.00 0.00 57.00 55.54 1u8e n GLN 505 Cb 0.15 -1.75 0.25 0.00 -0.86 0.00 0.00 30.24 28.03 1u8e n GLN 505 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1u8e n ASN 506 N -2.04 2.59 -3.99 2.61 2.85 -0.36 -4.89 115.26 112.03 1u8e n ASN 506 Ca 0.04 -1.94 -0.15 0.00 -0.11 0.00 0.00 54.58 52.41 1u8e n ASN 506 Cb 0.28 -0.28 -0.14 0.00 1.24 0.00 0.00 39.78 40.89 1u8e n ASN 506 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1u8e s VAL 507 N -1.44 0.45 -1.22 3.44 0.11 -0.84 -3.81 120.40 117.09 1u8e s VAL 507 Ca 0.34 -0.46 -0.21 0.00 -2.93 0.00 0.00 61.98 58.73 1u8e s VAL 507 Cb 0.18 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1u8e s VAL 507 CO 0.25 -0.01 1.87 0.00 -3.33 0.00 0.00 175.10 173.87 1u8e n GLN 508 N 2.55 2.22 -2.12 1.54 6.02 -0.24 -4.94 117.38 122.42 1u8e n GLN 508 Ca -0.15 -2.76 -0.33 0.00 -0.01 0.00 0.00 57.00 53.75 1u8e n GLN 508 Cb 0.57 -3.61 0.00 0.00 1.02 0.00 0.00 30.24 28.22 1u8e n GLN 508 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1u8e s MET 509 N 5.52 3.44 0.62 -1.09 1.75 -1.26 -4.40 119.30 123.88 1u8e s MET 509 Ca 0.62 1.16 -0.06 0.00 -1.25 0.00 0.00 55.69 56.17 1u8e s MET 509 Cb 0.02 -2.05 0.02 0.00 2.84 0.00 0.00 34.83 35.66 1u8e s MET 509 CO 0.11 -0.71 0.93 -1.25 -0.65 0.00 0.00 175.02 173.45 1u8e s PRO 510 N -4.06 2.70 0.36 4.11 0.04 -1.26 -4.38 135.00 132.50 1u8e s PRO 510 Ca 0.63 -0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.65 1u8e s PRO 510 Cb -0.15 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1u8e s PRO 510 CO 0.36 -0.86 0.26 -1.54 0.04 0.00 0.00 177.00 175.26 1u8e s SER 511 N -4.37 5.00 -0.07 6.66 1.04 -0.47 -4.94 113.70 116.55 1u8e s SER 511 Ca 0.56 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1u8e s SER 511 Cb -0.11 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.23 1u8e s SER 511 CO 0.45 -0.41 -0.17 -0.75 0.98 0.00 0.00 173.24 173.35 1u8e s LYS 512 N -3.97 2.06 -0.14 4.02 2.20 -1.26 -1.16 119.74 121.49 1u8e s LYS 512 Ca 0.41 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1u8e s LYS 512 Cb -0.04 -1.67 -0.00 0.00 -1.51 0.00 0.00 37.83 34.61 1u8e s LYS 512 CO 0.25 0.13 -0.16 0.21 -0.36 0.00 0.00 175.35 175.42 1u8e s LYS 513 N 0.40 3.22 -0.12 4.03 2.20 -0.69 -4.98 119.74 123.80 1u8e s LYS 513 Ca -0.13 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1u8e s LYS 513 Cb -0.15 -2.59 -0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1u8e s LYS 513 CO 0.05 0.06 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.73 1u8e s LEU 514 N 0.69 2.30 0.00 5.43 0.20 -1.26 -1.42 118.68 124.62 1u8e s LEU 514 Ca -0.08 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.25 1u8e s LEU 514 Cb -0.16 -1.48 0.00 0.00 -0.43 0.00 0.00 46.19 44.12 1u8e s LEU 514 CO 0.02 0.14 0.00 -0.67 -0.29 0.00 0.00 176.35 175.55 1u8e n ASP 515 N 3.65 0.00 -4.14 3.68 4.64 -0.81 -5.03 116.55 118.55 1u8e n ASP 515 Ca -0.19 -0.82 -0.09 0.00 -1.38 0.00 0.00 54.79 52.31 1u8e n ASP 515 Cb 0.53 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.51 1u8e n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1u8e s PHE 516 N -7.00 0.79 0.11 -0.67 -0.71 -1.26 -0.94 117.98 108.29 1u8e s PHE 516 Ca 0.00 -1.18 0.05 0.00 -1.04 0.00 0.00 56.93 54.76 1u8e s PHE 516 Cb 0.00 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1u8e s PHE 516 CO 0.00 -0.47 -0.12 -1.50 -1.34 0.00 0.00 175.22 171.79 1u8e s ILE 517 N -3.99 1.14 -0.24 -4.49 2.07 -0.25 -4.92 121.20 110.51 1u8e s ILE 517 Ca 0.20 -1.65 -0.03 0.00 -1.41 0.00 0.00 60.65 57.76 1u8e s ILE 517 Cb 0.08 -1.42 0.01 0.00 0.13 0.00 0.00 42.46 41.26 1u8e s ILE 517 CO -0.01 -0.46 -0.04 -0.63 -1.91 0.00 0.00 174.94 171.88 1u8e s ILE 518 N -2.20 3.21 -0.05 2.00 1.01 -1.26 -0.10 121.20 123.82 1u8e s ILE 518 Ca 0.06 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1u8e s ILE 518 Cb -0.04 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1u8e s ILE 518 CO 0.02 0.30 -0.23 -0.76 0.00 0.00 0.00 174.94 174.27 1u8e s LEU 519 N 1.42 2.02 -1.50 2.97 1.43 -0.02 -4.70 118.68 120.30 1u8e s LEU 519 Ca 0.03 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1u8e s LEU 519 Cb -0.15 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1u8e s LEU 519 CO -0.03 0.23 0.30 0.59 0.23 0.00 0.00 176.35 177.67 1u8e n ASN 520 N 2.91 -0.14 -1.81 2.29 3.02 -1.26 -0.27 115.26 119.99 1u8e n ASN 520 Ca -0.17 -1.11 -0.10 0.00 -0.03 0.00 0.00 54.58 53.17 1u8e n ASN 520 Cb 0.52 -2.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.21 1u8e n ASN 520 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1u8e n GLU 521 N -4.46 -1.74 -5.01 3.52 4.07 -1.26 -4.96 120.64 110.81 1u8e n GLU 521 Ca -0.27 0.54 -0.28 0.00 -0.06 0.00 0.00 57.16 57.09 1u8e n GLU 521 Cb 0.67 -4.90 -0.15 0.00 -0.06 0.00 0.00 31.44 26.99 1u8e n GLU 521 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1u8e s THR 522 N -2.14 1.71 0.22 6.31 2.01 0.63 -5.11 115.64 119.26 1u8e s THR 522 Ca 0.00 -0.96 -0.18 0.00 0.31 0.00 0.00 61.69 60.86 1u8e s THR 522 Cb 0.00 -1.43 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 1u8e s THR 522 CO 0.00 0.45 0.68 -1.59 -0.69 0.00 0.00 174.62 173.47 1u8e s LYS 523 N -0.60 4.15 -0.07 4.92 -2.85 -1.26 -0.84 119.74 123.19 1u8e s LYS 523 Ca 0.08 0.75 -0.01 0.00 -1.00 0.00 0.00 55.97 55.80 1u8e s LYS 523 Cb -0.08 -2.83 0.03 0.00 -2.06 0.00 0.00 37.83 32.88 1u8e s LYS 523 CO -0.00 0.38 -0.02 -0.06 0.10 0.00 0.00 175.35 175.75 1u8e s PHE 524 N -1.57 0.82 0.38 1.78 0.40 0.86 -4.94 117.98 115.71 1u8e s PHE 524 Ca 0.43 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 56.31 1u8e s PHE 524 Cb -0.15 -0.85 -0.10 0.00 0.51 0.00 0.00 43.02 42.43 1u8e s PHE 524 CO 0.20 -0.33 0.86 -1.58 0.70 0.00 0.00 175.22 175.07 1u8e s TRP 525 N 1.71 3.34 0.23 0.36 0.52 -1.26 -1.09 118.94 122.76 1u8e s TRP 525 Ca 0.02 1.45 -0.07 0.00 0.02 0.00 0.00 56.10 57.51 1u8e s TRP 525 Cb -0.13 -2.72 -0.02 0.00 -1.15 0.00 0.00 33.47 29.45 1u8e s TRP 525 CO -0.05 -0.02 0.33 1.52 0.02 0.00 0.00 176.95 178.76 1u8e s TYR 526 N -2.09 0.73 -0.02 -1.98 1.13 -0.12 -1.42 117.35 113.59 1u8e s TYR 526 Ca 0.58 -1.02 -0.12 0.00 -1.41 0.00 0.00 57.07 55.10 1u8e s TYR 526 Cb -0.10 -0.14 0.02 0.00 -1.10 0.00 0.00 41.96 40.64 1u8e s TYR 526 CO 0.15 -0.85 0.25 1.14 -2.51 0.00 0.00 175.55 173.73 1u8e s GLN 527 N -4.04 0.57 -0.01 -3.49 -2.07 -0.64 -1.92 119.66 108.07 1u8e s GLN 527 Ca 0.30 -0.19 0.02 0.00 -1.82 0.00 0.00 55.36 53.67 1u8e s GLN 527 Cb 0.03 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 1u8e s GLN 527 CO 0.11 -0.15 -0.08 -1.64 -1.32 0.00 0.00 175.29 172.21 1u8e s MET 528 N -1.18 0.65 -0.50 9.60 -1.94 -0.51 -1.44 119.30 123.98 1u8e s MET 528 Ca -0.12 -0.30 -0.09 0.00 -1.71 0.00 0.00 55.69 53.47 1u8e s MET 528 Cb -0.06 -0.63 0.13 0.00 2.01 0.00 0.00 34.83 36.29 1u8e s MET 528 CO 0.03 0.17 0.38 0.42 -0.01 0.00 0.00 175.02 176.01 1u8e s ILE 529 N -0.21 4.27 0.19 2.53 1.01 -0.41 -1.70 121.20 126.88 1u8e s ILE 529 Ca 0.03 -1.90 -0.29 0.00 0.00 0.00 0.00 60.65 58.49 1u8e s ILE 529 Cb -0.03 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 1u8e s ILE 529 CO -0.00 -0.80 0.90 -0.76 0.00 0.00 0.00 174.94 174.28 1u8e s LEU 530 N 1.20 4.60 0.88 2.97 1.43 -0.31 -3.02 118.68 126.43 1u8e s LEU 530 Ca 0.07 1.83 -0.10 0.00 -1.03 0.00 0.00 54.13 54.89 1u8e s LEU 530 Cb -0.25 -3.52 0.12 0.00 0.03 0.00 0.00 46.19 42.58 1u8e s LEU 530 CO -0.01 0.12 1.12 -2.84 0.23 0.00 0.00 176.35 174.97 1u8e s PRO 531 N -0.89 1.34 0.70 1.29 0.02 -1.26 -1.36 135.00 134.84 1u8e s PRO 531 Ca 0.41 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.61 1u8e s PRO 531 Cb -0.25 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1u8e s PRO 531 CO 0.30 -2.34 1.25 -2.14 -0.33 0.00 0.00 177.00 173.74 1u8e s PRO 532 N -4.74 2.28 -1.39 5.54 0.02 -1.26 -2.83 135.00 132.62 1u8e s PRO 532 Ca 0.65 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.51 1u8e s PRO 532 Cb -0.21 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.51 1u8e s PRO 532 CO 0.58 -1.76 0.89 0.72 -0.33 0.00 0.00 177.00 177.09 1u8e n HIS 533 N -2.39 -2.19 -1.68 6.54 8.25 -1.26 -4.86 115.22 117.63 1u8e n HIS 533 Ca 0.15 0.89 -0.44 0.00 -0.26 0.00 0.00 57.72 58.06 1u8e n HIS 533 Cb 0.49 -4.37 -0.02 0.00 1.12 0.00 0.00 29.99 27.21 1u8e n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1u8e n PHE 534 N -4.50 2.20 -3.84 4.41 7.35 -1.13 -4.97 117.46 116.98 1u8e n PHE 534 Ca -0.14 0.45 -0.30 0.00 -0.76 0.00 0.00 57.45 56.71 1u8e n PHE 534 Cb 0.61 -2.45 -0.15 0.00 0.35 0.00 0.00 39.48 37.83 1u8e n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1u8e s ASP 535 N 0.18 3.94 0.00 -2.13 -1.08 -1.26 -4.99 116.67 111.32 1u8e s ASP 535 Ca 0.65 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 1u8e s ASP 535 Cb -0.63 -1.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.80 1u8e s ASP 535 CO 0.52 -0.34 0.94 0.29 0.52 0.00 0.00 175.17 177.10 1u8e n LYS 536 N 4.73 0.00 0.06 4.34 5.02 -1.26 -1.61 118.16 129.44 1u8e n LYS 536 Ca -0.05 0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1u8e n LYS 536 Cb 0.43 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 1u8e n LYS 536 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1u8e h SER 537 N 0.00 0.21 -4.21 4.39 0.02 -1.94 -3.40 113.55 108.62 1u8e h SER 537 Ca 0.00 -0.26 -0.50 0.00 -0.84 0.00 0.00 61.79 60.18 1u8e h SER 537 Cb 0.00 -0.07 0.05 0.00 0.14 0.00 0.00 62.40 62.53 1u8e h SER 537 CO 0.00 1.21 0.36 -0.75 -1.14 0.00 0.00 176.83 176.52 1u8e s LYS 538 N -2.66 3.63 -0.27 3.45 2.36 -0.63 -4.98 119.74 120.65 1u8e s LYS 538 Ca -0.04 0.68 -0.08 0.00 -2.55 0.00 0.00 55.97 53.99 1u8e s LYS 538 Cb 0.08 -2.14 -0.02 0.00 -1.05 0.00 0.00 37.83 34.70 1u8e s LYS 538 CO 0.85 -0.48 0.09 0.15 1.55 0.00 0.00 175.35 177.51 1u8e s LYS 539 N -4.98 3.54 0.09 4.03 -0.14 -1.26 -4.44 119.74 116.58 1u8e s LYS 539 Ca 0.54 -0.56 0.02 0.00 -1.36 0.00 0.00 55.97 54.62 1u8e s LYS 539 Cb -0.11 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 1u8e s LYS 539 CO 0.50 -0.26 0.14 0.71 -0.76 0.00 0.00 175.35 175.68 1u8e s TYR 540 N 1.61 3.32 0.21 3.18 2.02 0.70 -4.58 117.35 123.81 1u8e s TYR 540 Ca 0.06 0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 1u8e s TYR 540 Cb -0.16 -1.66 -0.08 0.00 -0.40 0.00 0.00 41.96 39.66 1u8e s TYR 540 CO 0.04 0.54 1.00 -1.25 -1.57 0.00 0.00 175.55 174.32 1u8e s PRO 541 N -2.56 4.74 -0.04 -1.71 0.04 -1.26 -0.31 135.00 133.89 1u8e s PRO 541 Ca 0.32 1.58 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1u8e s PRO 541 Cb -0.12 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1u8e s PRO 541 CO 0.25 0.32 -0.21 -1.17 0.04 0.00 0.00 177.00 176.22 1u8e s LEU 542 N -0.83 2.31 -0.20 -3.56 0.20 -0.39 -1.79 118.68 114.42 1u8e s LEU 542 Ca 0.44 -0.37 -0.01 0.00 0.69 0.00 0.00 54.13 54.88 1u8e s LEU 542 Cb -0.27 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 1u8e s LEU 542 CO 0.34 0.32 -0.13 -0.22 -0.29 0.00 0.00 176.35 176.37 1u8e s LEU 543 N -0.58 2.49 -0.58 -0.68 0.20 0.21 -0.75 118.68 118.99 1u8e s LEU 543 Ca 0.08 -0.54 -0.22 0.00 0.69 0.00 0.00 54.13 54.14 1u8e s LEU 543 Cb -0.11 -1.60 0.06 0.00 -0.43 0.00 0.00 46.19 44.11 1u8e s LEU 543 CO 0.00 -0.01 0.87 -0.22 -0.29 0.00 0.00 176.35 176.70 1u8e s LEU 544 N 1.37 4.45 -0.30 -0.68 2.96 -0.59 -0.52 118.68 125.37 1u8e s LEU 544 Ca 0.05 -0.76 -0.27 0.00 -0.22 0.00 0.00 54.13 52.93 1u8e s LEU 544 Cb -0.14 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 43.99 1u8e s LEU 544 CO -0.09 -1.23 0.98 -0.62 -1.32 0.00 0.00 176.35 174.07 1u8e s ASP 545 N 3.16 6.88 0.19 3.68 -1.08 0.29 -1.78 116.67 128.01 1u8e s ASP 545 Ca 0.23 0.99 0.08 0.00 -0.52 0.00 0.00 52.55 53.34 1u8e s ASP 545 Cb -0.16 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1u8e s ASP 545 CO 0.14 -0.76 -0.16 0.54 0.52 0.00 0.00 175.17 175.44 1u8e s VAL 546 N 3.36 1.79 0.01 1.11 0.11 -0.29 -4.17 120.40 122.33 1u8e s VAL 546 Ca 0.41 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.39 1u8e s VAL 546 Cb -0.13 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 1u8e s VAL 546 CO 0.13 -0.46 0.00 0.33 -3.33 0.00 0.00 175.10 171.77 1u8e n PHE 547 N -0.07 -0.45 -1.80 1.54 -0.00 -1.26 -4.06 117.46 111.35 1u8e n PHE 547 Ca -0.10 0.02 -0.18 0.00 -0.00 0.00 0.00 57.45 57.19 1u8e n PHE 547 Cb 0.59 0.52 -0.06 0.00 -0.00 0.00 0.00 39.48 40.53 1u8e n PHE 547 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1u8e n ALA 548 N -2.53 -0.40 -1.43 3.13 0.00 -1.26 -3.38 120.51 114.64 1u8e n ALA 548 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1u8e n ALA 548 Cb 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 19.45 17.68 1u8e n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u8e s GLY 549 N -2.40 1.61 0.18 0.00 0.00 -1.26 -4.85 107.32 100.61 1u8e s GLY 549 Ca 0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 44.72 44.16 1u8e s GLY 549 CO 0.00 0.25 1.58 -1.05 0.00 0.00 0.00 173.10 173.88 1u8e n PRO 550 N -3.66 2.27 -1.58 2.90 -0.02 -1.26 -1.53 135.00 132.13 1u8e n PRO 550 Ca 0.07 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.22 1u8e n PRO 550 Cb 0.56 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1u8e n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u8e s SER 552 N -2.75 5.39 -0.25 0.00 1.04 -0.58 -3.71 113.70 112.84 1u8e s SER 552 Ca 0.00 0.80 -0.02 0.00 0.48 0.00 0.00 55.95 57.21 1u8e s SER 552 Cb 0.00 -1.67 0.13 0.00 0.10 0.00 0.00 66.02 64.59 1u8e s SER 552 CO 0.00 -1.26 0.37 -1.58 0.98 0.00 0.00 173.24 171.75 1u8e s GLN 553 N -5.16 0.34 0.00 4.02 0.74 -1.26 -0.86 119.66 117.48 1u8e s GLN 553 Ca 0.56 0.46 0.17 0.00 0.05 0.00 0.00 55.36 56.60 1u8e s GLN 553 Cb -0.11 -0.52 -0.16 0.00 1.10 0.00 0.00 33.01 33.33 1u8e s GLN 553 CO 0.47 -0.69 0.76 1.63 -0.55 0.00 0.00 175.29 176.92 1u8e n LYS 554 N 5.36 1.35 -3.73 1.67 4.76 -1.26 -4.83 118.16 121.47 1u8e n LYS 554 Ca -0.03 -0.14 -0.38 0.00 -2.87 0.00 0.00 58.31 54.89 1u8e n LYS 554 Cb 0.50 -1.32 -0.11 0.00 -1.84 0.00 0.00 35.03 32.26 1u8e n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u8e s ALA 555 N -2.54 3.16 0.10 7.82 0.00 -1.26 -4.85 121.76 124.19 1u8e s ALA 555 Ca 0.08 -2.29 0.01 0.00 0.00 0.00 0.00 51.96 49.76 1u8e s ALA 555 Cb 0.13 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1u8e s ALA 555 CO 0.67 -1.68 0.11 -0.40 0.00 0.00 0.00 175.76 174.46 1u8e n ASP 556 N 4.72 -0.28 -1.36 0.00 5.68 -1.26 -4.45 116.55 119.60 1u8e n ASP 556 Ca -0.07 -1.63 0.10 0.00 -0.50 0.00 0.00 54.79 52.69 1u8e n ASP 556 Cb 0.42 0.59 0.32 0.00 -1.14 0.00 0.00 41.12 41.31 1u8e n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1u8e n THR 557 N -0.19 1.21 -2.40 2.12 -2.24 -1.03 -4.93 114.28 106.82 1u8e n THR 557 Ca 0.02 -0.99 -0.40 0.00 -2.27 0.00 0.00 64.05 60.41 1u8e n THR 557 Cb 0.18 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1u8e n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1u8e s VAL 558 N -1.36 3.38 -0.06 2.28 1.01 -1.26 -1.55 120.40 122.83 1u8e s VAL 558 Ca 0.47 1.35 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 1u8e s VAL 558 Cb 0.27 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1u8e s VAL 558 CO 0.28 0.30 0.52 0.12 0.00 0.00 0.00 175.10 176.33 1u8e s PHE 559 N -0.97 3.60 0.02 5.22 5.36 0.16 -4.88 117.98 126.49 1u8e s PHE 559 Ca 0.46 1.03 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1u8e s PHE 559 Cb -0.33 -2.55 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 1u8e s PHE 559 CO 0.42 0.29 -0.03 1.03 -1.46 0.00 0.00 175.22 175.47 1u8e s ARG 560 N 0.13 0.30 -0.45 10.12 0.52 -1.26 -4.89 118.95 123.41 1u8e s ARG 560 Ca 0.28 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 1u8e s ARG 560 Cb -0.16 -0.02 0.12 0.00 0.52 0.00 0.00 34.95 35.41 1u8e s ARG 560 CO 0.13 -0.01 0.18 -0.51 0.02 0.00 0.00 175.30 175.11 1u8e s LEU 561 N -1.14 4.49 0.00 2.53 1.43 -1.26 -4.88 118.68 119.86 1u8e s LEU 561 Ca -0.11 -2.70 0.00 0.00 -1.03 0.00 0.00 54.13 50.30 1u8e s LEU 561 Cb -0.08 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1u8e s LEU 561 CO -0.01 -0.29 0.00 -0.46 0.23 0.00 0.00 176.35 175.83 1u8e n ASN 562 N 3.54 0.20 -0.15 2.29 0.23 -1.26 -4.99 115.26 115.11 1u8e n ASN 562 Ca 0.05 -0.51 -0.03 0.00 -0.53 0.00 0.00 54.58 53.55 1u8e n ASN 562 Cb 0.36 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.12 1u8e n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1u8e h TRP 563 N 0.51 0.27 -0.70 -2.53 7.01 -1.97 -0.41 115.95 118.14 1u8e h TRP 563 Ca 0.00 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.15 1u8e h TRP 563 Cb 0.00 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 1u8e h TRP 563 CO 0.00 0.08 0.46 0.00 -2.79 0.00 0.00 178.44 176.19 1u8e h ALA 564 N 1.33 2.03 -0.84 2.65 0.00 -1.99 -0.13 119.26 122.32 1u8e h ALA 564 Ca 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1u8e h ALA 564 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1u8e h ALA 564 CO -0.25 -0.20 0.55 1.15 0.00 0.00 0.00 179.25 180.49 1u8e h THR 565 N 0.45 1.22 -0.17 0.00 2.02 -1.41 -1.80 112.91 113.23 1u8e h THR 565 Ca 0.33 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1u8e h THR 565 Cb 0.68 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1u8e h THR 565 CO -0.10 0.21 -0.23 0.22 0.37 0.00 0.00 175.52 175.99 1u8e h TYR 566 N 1.14 0.55 -0.20 3.16 3.20 -0.90 -2.04 116.97 121.88 1u8e h TYR 566 Ca 0.31 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1u8e h TYR 566 Cb -0.12 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1u8e h TYR 566 CO -0.01 0.86 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.25 1u8e h LEU 567 N 0.08 -0.17 0.15 2.82 3.38 -1.01 0.12 115.31 120.68 1u8e h LEU 567 Ca 0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1u8e h LEU 567 Cb 0.79 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1u8e h LEU 567 CO 0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 178.44 178.45 1u8e h ALA 568 N 1.20 -0.20 0.09 1.53 0.00 -1.27 -0.62 119.26 119.98 1u8e h ALA 568 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1u8e h ALA 568 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u8e h ALA 568 CO -0.20 -0.38 -0.14 1.03 0.00 0.00 0.00 179.25 179.56 1u8e h SER 569 N -0.67 -0.40 0.03 0.00 0.87 -1.31 -1.81 113.55 110.27 1u8e h SER 569 Ca -0.02 0.05 -0.30 0.00 -1.23 0.00 0.00 61.79 60.28 1u8e h SER 569 Cb 0.49 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 1u8e h SER 569 CO 0.03 -0.21 -1.68 0.41 -0.53 0.00 0.00 176.83 174.85 1u8e n THR 570 N -5.27 1.59 1.36 2.23 -1.04 0.41 -4.42 114.28 109.14 1u8e n THR 570 Ca -0.07 -0.25 0.11 0.00 -2.04 0.00 0.00 64.05 61.80 1u8e n THR 570 Cb 0.19 -1.92 0.43 0.00 -1.82 0.00 0.00 70.33 67.21 1u8e n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u8e n GLU 571 N -4.13 1.63 -4.03 -2.82 -0.58 -0.35 -4.94 120.64 105.41 1u8e n GLU 571 Ca -0.36 -0.94 -0.32 0.00 -0.42 0.00 0.00 57.16 55.12 1u8e n GLU 571 Cb 0.81 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1u8e n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u8e n ASN 572 N 0.16 -3.94 -4.62 1.62 5.03 -0.55 -4.90 115.26 108.06 1u8e n ASN 572 Ca 0.16 -0.88 -0.34 0.00 0.87 0.00 0.00 54.58 54.39 1u8e n ASN 572 Cb 0.30 -3.41 -0.10 0.00 -1.02 0.00 0.00 39.78 35.54 1u8e n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1u8e s ILE 573 N -3.33 4.13 -0.13 2.41 1.01 -0.76 -4.58 121.20 119.94 1u8e s ILE 573 Ca 0.65 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 1u8e s ILE 573 Cb -0.34 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1u8e s ILE 573 CO 0.87 0.57 0.80 -0.63 0.00 0.00 0.00 174.94 176.56 1u8e s ILE 574 N -0.52 4.93 -0.32 2.92 1.01 -0.74 -3.12 121.20 125.35 1u8e s ILE 574 Ca 0.09 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.30 1u8e s ILE 574 Cb -0.12 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.27 1u8e s ILE 574 CO 0.02 0.10 0.06 -0.69 0.00 0.00 0.00 174.94 174.43 1u8e s VAL 575 N 1.68 3.45 0.18 2.92 1.01 -1.17 0.67 120.40 129.15 1u8e s VAL 575 Ca 0.39 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1u8e s VAL 575 Cb -0.17 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1u8e s VAL 575 CO 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 175.10 175.09 1u8e s ALA 576 N 1.35 3.10 0.04 5.51 0.00 0.32 -1.28 121.76 130.79 1u8e s ALA 576 Ca -0.03 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.54 1u8e s ALA 576 Cb -0.19 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1u8e s ALA 576 CO 0.01 0.47 -0.09 -1.12 0.00 0.00 0.00 175.76 175.03 1u8e s SER 577 N -2.93 1.04 -0.03 0.00 0.01 -0.52 0.10 113.70 111.37 1u8e s SER 577 Ca 0.27 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 1u8e s SER 577 Cb -0.09 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.16 1u8e s SER 577 CO 0.17 -0.12 0.05 0.12 0.41 0.00 0.00 173.24 173.88 1u8e s PHE 578 N -1.13 0.01 -0.59 2.43 5.36 -1.26 -1.62 117.98 121.18 1u8e s PHE 578 Ca -0.06 0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.96 1u8e s PHE 578 Cb -0.09 -0.27 0.13 0.00 -0.34 0.00 0.00 43.02 42.46 1u8e s PHE 578 CO 0.01 -0.12 0.59 -0.51 -1.46 0.00 0.00 175.22 173.72 1u8e s ASP 579 N 1.34 6.26 0.00 6.13 1.01 -0.51 -4.84 116.67 126.07 1u8e s ASP 579 Ca -0.06 -1.82 0.00 0.00 0.71 0.00 0.00 52.55 51.38 1u8e s ASP 579 Cb -0.13 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1u8e s ASP 579 CO -0.03 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.07 1u8e n GLY 580 N 5.11 1.64 3.65 0.21 0.00 -1.26 -4.14 105.19 110.40 1u8e n GLY 580 Ca -0.09 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1u8e n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8e n ARG 581 N -0.02 1.74 0.00 1.61 1.74 -1.26 -1.25 116.66 119.22 1u8e n ARG 581 Ca 0.00 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1u8e n ARG 581 Cb 0.00 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 1u8e n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u8e n GLY 582 N 0.97 3.37 3.65 -0.13 0.00 0.22 -4.24 105.19 109.04 1u8e n GLY 582 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1u8e n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u8e s SER 583 N -0.84 2.74 0.52 1.61 1.04 -0.38 0.39 113.70 118.78 1u8e s SER 583 Ca 0.00 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.19 1u8e s SER 583 Cb 0.00 -2.34 0.02 0.00 0.10 0.00 0.00 66.02 63.80 1u8e s SER 583 CO 0.00 -3.13 0.31 -0.83 0.98 0.00 0.00 173.24 170.57 1u8e s GLY 584 N -2.98 2.47 -1.02 7.32 0.00 -0.04 -3.34 107.32 109.73 1u8e s GLY 584 Ca 0.65 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1u8e s GLY 584 CO 0.59 -1.97 0.00 -1.72 0.00 0.00 0.00 173.10 170.00 1u8e n TYR 585 N -1.62 -0.01 -0.86 1.90 4.01 -1.26 -4.86 117.16 114.46 1u8e n TYR 585 Ca -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.71 1u8e n TYR 585 Cb 0.65 -1.89 0.02 0.00 -0.31 0.00 0.00 39.34 37.81 1u8e n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1u8e n GLN 586 N -2.70 1.08 0.00 -0.72 6.02 -1.26 -4.56 117.38 115.24 1u8e n GLN 586 Ca -0.10 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 1u8e n GLN 586 Cb 0.32 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 30.80 1u8e n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u8e n GLY 587 N -0.33 2.34 0.25 1.08 0.00 -1.26 -4.66 105.19 102.59 1u8e n GLY 587 Ca 0.02 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1u8e n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u8e h ASP 588 N 0.00 0.00 -0.86 1.61 3.32 -0.23 -2.06 116.42 118.20 1u8e h ASP 588 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 1u8e h ASP 588 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1u8e h ASP 588 CO 0.00 0.17 0.56 0.50 -1.72 0.00 0.00 179.24 178.75 1u8e h LYS 589 N 0.00 0.85 0.07 3.56 1.63 -1.86 0.60 116.57 121.42 1u8e h LYS 589 Ca -0.00 -0.05 -0.32 0.00 -0.85 0.00 0.00 60.65 59.43 1u8e h LYS 589 Cb 0.43 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 1u8e h LYS 589 CO 0.02 0.56 -1.72 -0.89 -3.45 0.00 0.00 179.45 173.97 1u8e n ILE 590 N -4.51 1.68 -0.18 2.00 5.41 -1.05 -3.89 119.36 118.82 1u8e n ILE 590 Ca 0.14 -0.40 -0.09 0.00 1.00 0.00 0.00 62.75 63.40 1u8e n ILE 590 Cb 0.28 -1.86 0.01 0.00 -0.71 0.00 0.00 39.64 37.36 1u8e n ILE 590 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1u8e h MET 591 N -0.38 0.84 -0.06 0.38 4.05 -1.26 0.65 114.93 119.15 1u8e h MET 591 Ca -0.40 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 1u8e h MET 591 Cb 1.74 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.43 1u8e h MET 591 CO -0.04 0.81 0.00 0.72 0.23 0.00 0.00 176.91 178.63 1u8e n HIS 592 N -4.42 0.08 0.28 1.39 8.25 0.19 -4.09 115.22 116.91 1u8e n HIS 592 Ca 0.02 -0.04 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1u8e n HIS 592 Cb 0.24 0.00 0.82 0.00 1.12 0.00 0.00 29.99 32.17 1u8e n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u8e h ALA 593 N 3.42 1.58 -0.41 -1.41 0.00 -1.60 -2.13 119.26 118.71 1u8e h ALA 593 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u8e h ALA 593 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u8e h ALA 593 CO 0.00 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.73 1u8e n ILE 594 N -3.97 2.12 -1.68 0.00 -5.35 -1.26 -4.93 119.36 104.29 1u8e n ILE 594 Ca -0.03 -1.53 -0.45 0.00 -0.27 0.00 0.00 62.75 60.47 1u8e n ILE 594 Cb 0.12 -0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 1u8e n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1u8e n ASN 595 N 0.17 3.14 -0.54 7.28 4.05 -0.80 -0.72 115.26 127.83 1u8e n ASN 595 Ca 0.22 1.10 -0.06 0.00 0.45 0.00 0.00 54.58 56.29 1u8e n ASN 595 Cb 0.89 -1.45 -0.03 0.00 1.23 0.00 0.00 39.78 40.42 1u8e n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1u8e n ARG 596 N 2.96 -1.78 -2.69 1.20 1.74 0.40 -4.78 116.66 113.71 1u8e n ARG 596 Ca 0.15 0.66 -0.06 0.00 -0.77 0.00 0.00 57.85 57.82 1u8e n ARG 596 Cb 0.31 -4.91 0.04 0.00 -1.02 0.00 0.00 32.46 26.87 1u8e n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1u8e n ARG 597 N -0.23 1.89 -1.86 5.56 3.00 0.10 -4.93 116.66 120.20 1u8e n ARG 597 Ca -0.06 -3.57 -0.39 0.00 -0.01 0.00 0.00 57.85 53.82 1u8e n ARG 597 Cb 0.49 -1.63 0.02 0.00 0.00 0.00 0.00 32.46 31.34 1u8e n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u8e s LEU 598 N -3.61 4.00 0.00 0.55 1.02 -1.21 -3.07 118.68 116.35 1u8e s LEU 598 Ca 0.31 2.77 0.00 0.00 0.02 0.00 0.00 54.13 57.23 1u8e s LEU 598 Cb 0.37 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 42.46 1u8e s LEU 598 CO -0.02 -1.30 0.00 0.61 0.02 0.00 0.00 176.35 175.66 1u8e n GLY 599 N 0.64 0.63 0.00 -3.19 0.00 -1.26 -4.85 105.19 97.17 1u8e n GLY 599 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1u8e n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u8e n THR 600 N -2.62 0.00 -0.23 2.61 -2.24 -1.17 -4.75 114.28 105.88 1u8e n THR 600 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1u8e n THR 600 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1u8e n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1u8e h PHE 601 N 0.00 -0.21 -1.00 4.78 0.04 -1.93 0.54 116.94 119.16 1u8e h PHE 601 Ca 0.00 0.06 0.21 0.00 2.80 0.00 0.00 57.97 61.03 1u8e h PHE 601 Cb 0.00 0.20 -0.11 0.00 2.20 0.00 0.00 35.95 38.24 1u8e h PHE 601 CO 0.00 -0.25 0.60 1.05 -0.60 0.00 0.00 178.31 179.11 1u8e h GLU 602 N 0.05 0.69 0.04 1.51 4.11 -1.91 0.48 114.58 119.54 1u8e h GLU 602 Ca 0.35 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.59 1u8e h GLU 602 Cb 0.56 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1u8e h GLU 602 CO -0.65 0.45 -0.58 0.28 0.07 0.00 0.00 179.01 178.59 1u8e h VAL 603 N 0.71 1.48 -0.83 -1.06 2.07 -0.38 -3.17 116.25 115.07 1u8e h VAL 603 Ca 0.60 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1u8e h VAL 603 Cb 0.99 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.54 1u8e h VAL 603 CO -0.41 0.62 0.46 -0.33 0.02 0.00 0.00 177.57 177.93 1u8e h GLU 604 N -0.28 1.15 -0.05 1.57 5.08 0.14 -2.73 114.58 119.47 1u8e h GLU 604 Ca -0.08 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1u8e h GLU 604 Cb 1.34 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1u8e h GLU 604 CO 0.11 0.84 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.34 1u8e h ASP 605 N 1.15 0.08 0.04 1.42 3.32 -0.15 0.73 116.42 123.01 1u8e h ASP 605 Ca 0.29 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 1u8e h ASP 605 Cb 0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1u8e h ASP 605 CO -0.05 0.28 -0.50 1.56 -1.72 0.00 0.00 179.24 178.81 1u8e h GLN 606 N 0.08 0.52 -0.14 3.56 1.08 -1.46 0.70 115.11 119.45 1u8e h GLN 606 Ca 0.01 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 1u8e h GLN 606 Cb 0.38 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1u8e h GLN 606 CO 0.03 0.90 -0.08 0.82 -0.95 0.00 0.00 178.83 179.54 1u8e h ILE 607 N 0.41 1.32 -0.99 2.54 2.04 -1.16 -2.57 117.51 119.10 1u8e h ILE 607 Ca 0.02 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.77 1u8e h ILE 607 Cb 1.02 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 38.82 1u8e h ILE 607 CO 0.09 0.33 0.65 -0.33 0.00 0.00 0.00 178.15 178.90 1u8e h GLU 608 N -0.04 1.23 -0.52 2.37 4.39 -0.78 -2.07 114.58 119.16 1u8e h GLU 608 Ca 0.03 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1u8e h GLU 608 Cb 0.56 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1u8e h GLU 608 CO 0.02 0.81 0.29 0.00 -1.16 0.00 0.00 179.01 178.98 1u8e h ALA 609 N 1.42 0.66 -0.69 3.43 0.00 -0.70 0.31 119.26 123.69 1u8e h ALA 609 Ca 0.39 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1u8e h ALA 609 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1u8e h ALA 609 CO -0.12 -0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.54 1u8e h ALA 610 N 1.24 0.90 0.15 0.00 0.00 -0.98 0.29 119.26 120.87 1u8e h ALA 610 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1u8e h ALA 610 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u8e h ALA 610 CO -0.11 0.19 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 1u8e h ARG 611 N 0.83 -0.21 -1.00 0.00 3.08 -0.78 -0.48 114.38 115.81 1u8e h ARG 611 Ca 0.28 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.42 1u8e h ARG 611 Cb 0.04 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 1u8e h ARG 611 CO -0.11 -0.14 0.64 1.96 -1.07 0.00 0.00 179.97 181.24 1u8e h GLN 612 N -0.22 1.10 -0.14 0.04 1.08 0.24 -0.45 115.11 116.76 1u8e h GLN 612 Ca -0.02 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1u8e h GLN 612 Cb 0.18 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1u8e h GLN 612 CO 0.02 0.73 -0.33 0.74 -0.95 0.00 0.00 178.83 179.04 1u8e h PHE 613 N 1.13 0.31 -0.44 2.96 0.04 -0.06 -2.67 116.94 118.22 1u8e h PHE 613 Ca 0.44 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 61.02 1u8e h PHE 613 Cb 0.24 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1u8e h PHE 613 CO -0.00 0.58 -0.21 1.03 -0.60 0.00 0.00 178.31 179.10 1u8e h SER 614 N 0.24 0.90 0.04 2.17 0.87 0.44 -2.48 113.55 115.72 1u8e h SER 614 Ca 0.03 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1u8e h SER 614 Cb 0.70 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1u8e h SER 614 CO 0.05 1.08 -0.00 0.11 -0.53 0.00 0.00 176.83 177.53 1u8e h LYS 615 N 0.77 0.00 0.00 2.24 1.57 -0.83 -1.16 116.57 119.15 1u8e h LYS 615 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1u8e h LYS 615 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1u8e h LYS 615 CO 0.06 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.62 1u8e n MET 616 N -3.43 0.09 -0.88 3.15 2.81 -0.93 -4.90 117.12 113.03 1u8e n MET 616 Ca -0.03 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1u8e n MET 616 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1u8e n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u8e n GLY 617 N -0.19 1.11 0.42 3.03 0.00 -0.44 -4.89 105.19 104.24 1u8e n GLY 617 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1u8e n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u8e n PHE 618 N -2.00 0.13 -5.16 1.61 1.16 -1.26 -4.75 117.46 107.20 1u8e n PHE 618 Ca 0.00 -1.24 -0.32 0.00 -1.87 0.00 0.00 57.45 54.02 1u8e n PHE 618 Cb 0.00 -0.23 -0.16 0.00 -1.61 0.00 0.00 39.48 37.48 1u8e n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1u8e s VAL 619 N -3.05 2.27 -0.50 1.97 1.01 -1.26 -0.21 120.40 120.62 1u8e s VAL 619 Ca 0.36 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1u8e s VAL 619 Cb 0.33 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1u8e s VAL 619 CO -0.01 0.56 1.09 -0.62 0.00 0.00 0.00 175.10 176.12 1u8e s ASP 620 N 0.06 6.54 0.62 3.32 -1.08 0.57 -4.71 116.67 121.99 1u8e s ASP 620 Ca -0.09 0.26 0.30 0.00 -0.52 0.00 0.00 52.55 52.49 1u8e s ASP 620 Cb -0.15 -2.52 1.61 0.00 -1.46 0.00 0.00 42.92 40.39 1u8e s ASP 620 CO 0.06 -1.26 1.96 0.78 0.52 0.00 0.00 175.17 177.23 1u8e h ASN 621 N 9.28 0.00 0.31 -0.34 -0.26 -1.97 -0.40 115.58 122.20 1u8e h ASN 621 Ca -0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1u8e h ASN 621 Cb 1.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1u8e h ASN 621 CO 1.12 0.00 -0.38 0.29 -1.06 0.00 0.00 177.43 177.40 1u8e n LYS 622 N -3.40 0.53 -3.19 0.81 5.02 -1.26 -4.45 118.16 112.21 1u8e n LYS 622 Ca 0.03 -0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 55.77 1u8e n LYS 622 Cb 0.47 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 1u8e n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1u8e n ARG 623 N -0.96 1.23 -3.94 1.97 1.74 -0.16 -4.87 116.66 111.68 1u8e n ARG 623 Ca 0.09 -3.59 -0.35 0.00 -0.77 0.00 0.00 57.85 53.24 1u8e n ARG 623 Cb 0.35 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.05 1u8e n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u8e s ILE 624 N -2.06 2.98 0.56 0.55 1.01 -1.25 -1.27 121.20 121.72 1u8e s ILE 624 Ca 0.39 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1u8e s ILE 624 Cb 0.24 -2.53 0.05 0.00 0.01 0.00 0.00 42.46 40.23 1u8e s ILE 624 CO -0.09 0.16 0.49 0.00 0.00 0.00 0.00 174.94 175.50 1u8e s ALA 625 N 1.33 4.52 -0.27 9.38 0.00 0.07 -1.43 121.76 135.37 1u8e s ALA 625 Ca -0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 1u8e s ALA 625 Cb -0.17 -0.87 0.07 0.00 0.00 0.00 0.00 23.12 22.16 1u8e s ALA 625 CO -0.04 -0.55 0.71 -1.50 0.00 0.00 0.00 175.76 174.39 1u8e s ILE 626 N -2.77 0.00 0.00 0.00 2.07 -1.09 -1.55 121.20 117.87 1u8e s ILE 626 Ca 0.39 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.50 1u8e s ILE 626 Cb -0.03 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.58 1u8e s ILE 626 CO 0.24 0.00 0.27 -1.66 -1.91 0.00 0.00 174.94 171.88 1u8e s TRP 627 N 0.91 -0.11 0.28 3.50 1.48 -0.73 -1.46 118.94 122.81 1u8e s TRP 627 Ca -0.04 0.10 -0.15 0.00 -1.06 0.00 0.00 56.10 54.95 1u8e s TRP 627 Cb -0.05 0.06 0.01 0.00 -1.16 0.00 0.00 33.47 32.33 1u8e s TRP 627 CO -0.08 -0.40 0.58 0.20 -4.06 0.00 0.00 176.95 173.19 1u8e s GLY 628 N -1.54 0.41 -0.01 3.67 0.00 -0.87 -1.13 107.32 107.85 1u8e s GLY 628 Ca -0.11 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1u8e s GLY 628 CO 0.02 -0.47 -0.11 0.86 0.00 0.00 0.00 173.10 173.40 1u8e s TRP 629 N -3.75 1.04 0.00 1.90 -0.11 -1.26 -1.43 118.94 115.33 1u8e s TRP 629 Ca 0.19 -0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.30 1u8e s TRP 629 Cb -0.03 -0.68 0.00 0.00 -1.50 0.00 0.00 33.47 31.26 1u8e s TRP 629 CO 0.10 -0.04 0.00 0.45 -4.62 0.00 0.00 176.95 172.84 1u8e n SER 630 N 2.89 0.00 0.18 5.86 2.88 0.11 0.26 113.62 125.80 1u8e n SER 630 Ca -0.15 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.45 1u8e n SER 630 Cb 0.56 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.55 1u8e n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1u8e h TYR 631 N 0.00 0.15 -0.25 0.66 5.03 -1.86 0.28 116.97 120.98 1u8e h TYR 631 Ca 0.00 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 1u8e h TYR 631 Cb 0.00 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 1u8e h TYR 631 CO 0.00 0.16 -0.16 0.78 -1.32 0.00 0.00 178.16 177.62 1u8e h GLY 632 N 0.33 0.48 0.98 1.82 0.00 -0.20 -1.27 103.07 105.21 1u8e h GLY 632 Ca 0.04 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1u8e h GLY 632 CO 0.00 0.31 -0.16 -1.33 0.00 0.00 0.00 176.54 175.36 1u8e h GLY 633 N 0.94 0.82 0.92 4.60 0.00 -0.46 0.82 103.07 110.71 1u8e h GLY 633 Ca 0.07 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1u8e h GLY 633 CO 0.03 0.67 -0.02 -1.82 0.00 0.00 0.00 176.54 175.40 1u8e h TYR 634 N 0.55 -0.06 -0.30 5.60 3.20 -0.83 -0.39 116.97 124.75 1u8e h TYR 634 Ca 0.08 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1u8e h TYR 634 Cb 0.71 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1u8e h TYR 634 CO 0.06 -0.04 0.08 0.28 -1.64 0.00 0.00 178.16 176.90 1u8e h VAL 635 N -0.04 1.21 -0.16 1.81 2.07 -1.22 0.29 116.25 120.22 1u8e h VAL 635 Ca 0.01 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1u8e h VAL 635 Cb 0.06 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1u8e h VAL 635 CO -0.03 0.23 -0.25 0.74 0.02 0.00 0.00 177.57 178.28 1u8e h THR 636 N 0.32 0.39 -0.40 2.57 2.02 -0.66 0.67 112.91 117.81 1u8e h THR 636 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1u8e h THR 636 Cb 0.28 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1u8e h THR 636 CO 0.00 0.00 0.17 0.28 0.37 0.00 0.00 175.52 176.34 1u8e h SER 637 N -0.31 0.22 -0.90 4.18 0.02 -0.83 0.31 113.55 116.24 1u8e h SER 637 Ca 0.11 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1u8e h SER 637 Cb 0.47 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1u8e h SER 637 CO -0.33 0.17 0.57 0.24 -1.14 0.00 0.00 176.83 176.33 1u8e h MET 638 N 0.35 1.20 0.18 3.45 2.86 -0.46 -0.76 114.93 121.76 1u8e h MET 638 Ca 0.18 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1u8e h MET 638 Cb 0.12 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1u8e h MET 638 CO -0.15 0.82 -0.08 0.28 1.06 0.00 0.00 176.91 178.83 1u8e h VAL 639 N 1.23 0.94 -0.96 -2.22 2.07 -0.11 -2.87 116.25 114.33 1u8e h VAL 639 Ca 0.33 -0.79 0.19 0.00 0.82 0.00 0.00 66.70 67.25 1u8e h VAL 639 Cb -0.10 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1u8e h VAL 639 CO -0.07 0.18 0.61 -0.07 0.02 0.00 0.00 177.57 178.24 1u8e h LEU 640 N -0.64 0.61 -3.98 2.57 3.38 -0.11 -0.23 115.31 116.90 1u8e h LEU 640 Ca -0.02 0.07 -0.61 0.00 0.09 0.00 0.00 57.88 57.40 1u8e h LEU 640 Cb 0.47 -0.04 -0.30 0.00 0.09 0.00 0.00 40.66 40.88 1u8e h LEU 640 CO 0.04 0.23 0.75 0.61 0.09 0.00 0.00 178.44 180.17 1u8e n GLY 641 N -1.42 5.38 0.03 0.83 0.00 -0.32 -4.42 105.19 105.26 1u8e n GLY 641 Ca 0.21 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.48 1u8e n GLY 641 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u8e n SER 642 N -1.00 0.24 0.00 1.61 3.41 -0.10 -4.75 113.62 113.04 1u8e n SER 642 Ca 0.61 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1u8e n SER 642 Cb 1.04 1.60 0.00 0.00 -0.26 0.00 0.00 64.21 66.58 1u8e n SER 642 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8e n GLY 643 N 1.26 1.09 3.54 5.00 0.00 -1.26 -4.96 105.19 109.87 1u8e n GLY 643 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1u8e n GLY 643 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u8e n SER 644 N 0.00 5.01 -0.35 1.61 3.41 -1.26 -4.86 113.62 117.18 1u8e n SER 644 Ca 0.00 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 1u8e n SER 644 Cb 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 64.21 62.25 1u8e n SER 644 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8e n GLY 645 N 5.04 0.00 0.26 5.00 0.00 -1.26 -3.65 105.19 110.58 1u8e n GLY 645 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 1u8e n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u8e h VAL 646 N 0.00 1.27 -3.10 1.61 2.07 -1.96 -3.44 116.25 112.71 1u8e h VAL 646 Ca 0.00 -1.35 -0.61 0.00 0.82 0.00 0.00 66.70 65.56 1u8e h VAL 646 Cb 0.00 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1u8e h VAL 646 CO 0.00 0.46 -0.40 -0.36 0.02 0.00 0.00 177.57 177.29 1u8e s PHE 647 N -4.66 3.51 -0.14 1.57 0.08 -1.24 -4.61 117.98 112.49 1u8e s PHE 647 Ca -0.12 0.55 -0.21 0.00 0.12 0.00 0.00 56.93 57.28 1u8e s PHE 647 Cb 0.11 -2.19 -0.18 0.00 -0.57 0.00 0.00 43.02 40.19 1u8e s PHE 647 CO 0.85 0.42 0.51 -0.22 -0.10 0.00 0.00 175.22 176.68 1u8e h LYS 648 N 6.04 0.00 -4.74 0.44 3.64 -1.55 -3.46 116.57 116.95 1u8e h LYS 648 Ca -0.46 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.63 1u8e h LYS 648 Cb 1.18 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 1u8e h LYS 648 CO 0.70 0.72 -0.62 0.00 -2.27 0.00 0.00 179.45 177.98 1u8e s GLY 650 N -3.23 -0.55 -0.05 0.00 0.00 -0.17 -2.67 107.32 100.65 1u8e s GLY 650 Ca 0.37 1.00 0.03 0.00 0.00 0.00 0.00 44.72 46.11 1u8e s GLY 650 CO 0.12 0.54 -0.12 -0.42 0.00 0.00 0.00 173.10 173.22 1u8e s ILE 651 N -2.54 1.10 -0.19 0.90 1.01 -0.54 -1.48 121.20 119.45 1u8e s ILE 651 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1u8e s ILE 651 Cb -0.01 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.50 1u8e s ILE 651 CO -0.03 0.34 -0.18 0.00 0.00 0.00 0.00 174.94 175.06 1u8e s ALA 652 N 0.50 2.34 -0.21 9.38 0.00 -0.26 -2.05 121.76 131.45 1u8e s ALA 652 Ca -0.11 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1u8e s ALA 652 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1u8e s ALA 652 CO 0.03 -0.48 0.01 0.08 0.00 0.00 0.00 175.76 175.40 1u8e s VAL 653 N 1.27 3.97 -1.47 0.00 1.01 -0.52 -1.67 120.40 123.00 1u8e s VAL 653 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1u8e s VAL 653 Cb -0.14 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1u8e s VAL 653 CO -0.12 0.41 0.41 0.00 0.00 0.00 0.00 175.10 175.80 1u8e n ALA 654 N 4.48 -1.90 -1.69 5.51 0.00 0.21 0.09 120.51 127.21 1u8e n ALA 654 Ca -0.17 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1u8e n ALA 654 Cb 0.52 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1u8e n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1u8e s PRO 655 N -6.72 3.37 -0.02 0.00 0.04 -1.26 -3.22 135.00 127.18 1u8e s PRO 655 Ca 0.11 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 1u8e s PRO 655 Cb -0.06 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1u8e s PRO 655 CO 0.91 -0.78 0.62 0.08 0.04 0.00 0.00 177.00 177.87 1u8e s VAL 656 N -2.30 4.94 -0.16 -0.36 1.01 -1.25 -4.51 120.40 117.77 1u8e s VAL 656 Ca 0.65 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.99 1u8e s VAL 656 Cb -0.17 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 1u8e s VAL 656 CO 0.33 0.37 -0.07 -1.54 0.00 0.00 0.00 175.10 174.20 1u8e n SER 657 N 3.02 2.14 -3.74 3.32 3.41 -1.26 -4.16 113.62 116.34 1u8e n SER 657 Ca -0.05 -0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.38 1u8e n SER 657 Cb 0.51 0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 64.55 1u8e n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8e s ARG 658 N -2.35 0.25 0.58 4.33 1.70 -1.26 -0.31 118.95 121.89 1u8e s ARG 658 Ca -0.16 0.51 0.28 0.00 -0.47 0.00 0.00 55.73 55.89 1u8e s ARG 658 Cb 0.05 -0.04 1.66 0.00 -0.57 0.00 0.00 34.95 36.06 1u8e s ARG 658 CO 0.48 -0.13 2.13 -1.49 -1.08 0.00 0.00 175.30 175.22 1u8e h TRP 659 N 6.79 0.00 0.00 5.89 4.06 -1.85 0.01 115.95 130.84 1u8e h TRP 659 Ca -0.36 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1u8e h TRP 659 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1u8e h TRP 659 CO 0.36 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.63 1u8e n GLU 660 N -3.87 0.02 0.07 0.49 1.02 -1.26 -1.90 120.64 115.21 1u8e n GLU 660 Ca 0.01 0.31 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 1u8e n GLU 660 Cb 0.27 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1u8e n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1u8e n TYR 661 N -1.60 0.85 -2.46 -0.32 4.01 -0.01 -3.90 117.16 113.73 1u8e n TYR 661 Ca 0.03 0.25 -0.27 0.00 -0.16 0.00 0.00 57.90 57.75 1u8e n TYR 661 Cb 0.15 -0.94 0.02 0.00 -0.31 0.00 0.00 39.34 38.26 1u8e n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1u8e s TYR 662 N -3.27 3.38 0.69 -0.72 5.04 -0.80 -4.81 117.35 116.87 1u8e s TYR 662 Ca -0.02 0.74 -0.16 0.00 -2.44 0.00 0.00 57.07 55.18 1u8e s TYR 662 Cb 0.10 -2.58 0.02 0.00 0.35 0.00 0.00 41.96 39.85 1u8e s TYR 662 CO 0.81 -0.62 1.26 0.16 -1.34 0.00 0.00 175.55 175.82 1u8e s ASP 663 N -4.23 4.33 0.08 4.32 1.47 -1.26 -0.45 116.67 120.94 1u8e s ASP 663 Ca 0.52 2.51 -0.22 0.00 1.18 0.00 0.00 52.55 56.54 1u8e s ASP 663 Cb -0.10 -2.61 -0.12 0.00 -0.34 0.00 0.00 42.92 39.75 1u8e s ASP 663 CO 0.45 -2.18 1.65 0.77 0.68 0.00 0.00 175.17 176.54 1u8e h SER 664 N 0.09 0.14 0.42 2.11 4.64 -1.01 -2.36 113.55 117.59 1u8e h SER 664 Ca -0.49 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 1u8e h SER 664 Cb 1.32 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1u8e h SER 664 CO 0.51 0.22 -0.45 0.58 -0.87 0.00 0.00 176.83 176.82 1u8e h VAL 665 N 0.04 0.10 0.59 0.95 2.07 -1.93 0.68 116.25 118.77 1u8e h VAL 665 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1u8e h VAL 665 Cb 0.12 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1u8e h VAL 665 CO -0.00 0.00 -0.28 0.22 0.02 0.00 0.00 177.57 177.52 1u8e h TYR 666 N -0.89 -0.74 0.30 1.57 5.03 -1.93 -2.77 116.97 117.54 1u8e h TYR 666 Ca -0.04 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 1u8e h TYR 666 Cb 0.80 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 1u8e h TYR 666 CO -0.25 -0.45 -0.22 1.15 -1.32 0.00 0.00 178.16 177.07 1u8e h THR 667 N -0.81 0.53 0.00 1.81 2.02 -1.39 -2.69 112.91 112.38 1u8e h THR 667 Ca -0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1u8e h THR 667 Cb 0.62 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1u8e h THR 667 CO 0.13 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.63 1u8e h GLU 668 N -0.52 0.00 -0.64 6.66 5.08 -0.96 0.32 114.58 124.51 1u8e h GLU 668 Ca -0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1u8e h GLU 668 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1u8e h GLU 668 CO -0.00 0.06 0.38 -0.09 -1.00 0.00 0.00 179.01 178.36 1u8e h ARG 669 N 0.00 0.71 0.00 2.33 2.43 -1.17 -0.50 114.38 118.18 1u8e h ARG 669 Ca -0.00 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1u8e h ARG 669 Cb 0.27 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1u8e h ARG 669 CO 0.01 0.47 -2.18 0.66 -1.51 0.00 0.00 179.97 177.42 1u8e n TYR 670 N -4.75 0.00 0.61 2.20 4.01 -0.95 -4.63 117.16 113.66 1u8e n TYR 670 Ca 0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 1u8e n TYR 670 Cb 0.12 -0.74 -0.10 0.00 -0.31 0.00 0.00 39.34 38.31 1u8e n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1u8e n MET 671 N -2.50 1.29 0.00 -0.72 2.81 0.11 0.15 117.12 118.26 1u8e n MET 671 Ca -0.18 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1u8e n MET 671 Cb 0.86 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.06 1u8e n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u8e n GLY 672 N 1.42 -0.98 3.80 3.03 0.00 -0.20 -4.66 105.19 107.60 1u8e n GLY 672 Ca 0.02 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1u8e n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8e s LEU 673 N 0.00 4.53 -0.05 0.99 1.02 -1.26 -4.36 118.68 119.54 1u8e s LEU 673 Ca 0.00 1.37 -0.06 0.00 0.02 0.00 0.00 54.13 55.46 1u8e s LEU 673 Cb 0.00 -3.06 -0.25 0.00 0.02 0.00 0.00 46.19 42.90 1u8e s LEU 673 CO 0.00 0.24 3.40 -0.81 0.02 0.00 0.00 176.35 179.19 1u8e n PRO 674 N 1.59 1.91 -4.41 1.29 -0.04 -1.26 -1.59 135.00 132.48 1u8e n PRO 674 Ca -0.08 -0.97 -0.26 0.00 -0.04 0.00 0.00 63.50 62.15 1u8e n PRO 674 Cb 0.50 -1.99 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 1u8e n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1u8e s THR 675 N 1.18 2.52 0.49 0.52 -4.23 -1.26 -4.58 115.64 110.27 1u8e s THR 675 Ca 0.62 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.31 1u8e s THR 675 Cb 0.29 -2.24 0.28 0.00 1.34 0.00 0.00 72.50 72.17 1u8e s THR 675 CO -0.00 -0.18 2.11 1.55 -0.54 0.00 0.00 174.62 177.56 1u8e h PRO 676 N 2.95 0.00 0.00 3.99 0.13 -1.96 -0.36 132.00 136.75 1u8e h PRO 676 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1u8e h PRO 676 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1u8e h PRO 676 CO 0.51 0.09 -0.06 0.39 -0.23 0.00 0.00 178.00 178.71 1u8e n GLU 677 N -4.02 0.19 0.00 0.86 4.71 -1.26 -4.75 120.64 116.37 1u8e n GLU 677 Ca -0.02 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1u8e n GLU 677 Cb 0.18 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 1u8e n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1u8e n ASP 678 N -2.03 0.00 -0.19 1.62 -0.08 -0.44 -5.03 116.55 110.39 1u8e n ASP 678 Ca 0.06 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.43 1u8e n ASP 678 Cb 0.40 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.02 1u8e n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1u8e n ASN 679 N 0.00 2.18 -0.20 1.67 4.05 -0.62 -4.83 115.26 117.51 1u8e n ASN 679 Ca 0.00 -3.25 0.01 0.00 0.45 0.00 0.00 54.58 51.78 1u8e n ASN 679 Cb 0.00 -0.45 0.10 0.00 1.23 0.00 0.00 39.78 40.66 1u8e n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1u8e h LEU 680 N 0.22 -0.14 -0.47 1.20 5.85 -1.17 -2.56 115.31 118.24 1u8e h LEU 680 Ca -0.00 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1u8e h LEU 680 Cb 1.01 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 1u8e h LEU 680 CO 0.00 -0.06 -0.25 0.44 -0.34 0.00 0.00 178.44 178.23 1u8e h ASP 681 N 0.18 -0.86 0.58 1.25 3.32 -1.88 0.66 116.42 119.67 1u8e h ASP 681 Ca 0.32 0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.51 1u8e h ASP 681 Cb 0.50 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1u8e h ASP 681 CO -0.46 -0.27 -0.20 -0.74 -1.72 0.00 0.00 179.24 175.85 1u8e h HIS 682 N -0.15 0.00 -0.41 4.55 2.76 -1.84 -1.04 115.15 119.02 1u8e h HIS 682 Ca 0.21 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1u8e h HIS 682 Cb 0.49 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1u8e h HIS 682 CO -0.51 0.20 0.21 1.88 -1.30 0.00 0.00 177.93 178.41 1u8e h TYR 683 N 0.00 0.58 -0.01 5.26 -1.99 -0.60 -1.92 116.97 118.31 1u8e h TYR 683 Ca -0.00 -0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.55 1u8e h TYR 683 Cb 0.55 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 1u8e h TYR 683 CO 0.00 0.46 -0.74 0.00 -0.00 0.00 0.00 178.16 177.89 1u8e h ARG 684 N 0.53 0.04 0.00 4.88 2.47 -0.86 -3.21 114.38 118.24 1u8e h ARG 684 Ca 0.14 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1u8e h ARG 684 Cb 0.09 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1u8e h ARG 684 CO -0.02 0.76 -0.06 -0.97 0.56 0.00 0.00 179.97 180.24 1u8e h ASN 685 N 0.03 0.00 -0.80 7.04 -0.00 -1.05 -3.33 115.58 117.47 1u8e h ASN 685 Ca -0.01 -0.02 -0.44 0.00 -0.00 0.00 0.00 56.30 55.83 1u8e h ASN 685 Cb 1.30 0.00 -0.25 0.00 -0.00 0.00 0.00 38.32 39.37 1u8e h ASN 685 CO 0.10 0.01 0.42 -1.54 -0.00 0.00 0.00 177.43 176.42 1u8e n SER 686 N -2.33 3.75 -4.94 1.15 3.41 -0.73 -4.99 113.62 108.94 1u8e n SER 686 Ca 0.05 -3.69 -0.25 0.00 -0.26 0.00 0.00 58.87 54.73 1u8e n SER 686 Cb 0.44 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 1u8e n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u8e s THR 687 N -3.46 5.11 0.10 6.66 -4.23 -1.25 -4.75 115.64 113.81 1u8e s THR 687 Ca 0.54 -0.41 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1u8e s THR 687 Cb 0.46 -3.83 -0.25 0.00 1.34 0.00 0.00 72.50 70.22 1u8e s THR 687 CO 0.06 -0.48 1.20 0.58 -0.54 0.00 0.00 174.62 175.44 1u8e h VAL 688 N 0.92 1.48 -0.68 2.29 2.07 -1.00 -3.32 116.25 118.02 1u8e h VAL 688 Ca -0.49 -2.89 0.01 0.00 0.82 0.00 0.00 66.70 64.15 1u8e h VAL 688 Cb 1.21 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.73 1u8e h VAL 688 CO 0.63 0.85 0.45 0.24 0.02 0.00 0.00 177.57 179.75 1u8e h MET 689 N 0.11 0.87 0.00 1.57 2.86 -1.91 -1.60 114.93 116.83 1u8e h MET 689 Ca -0.11 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1u8e h MET 689 Cb 1.84 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.30 1u8e h MET 689 CO 0.19 0.58 0.00 -1.13 1.06 0.00 0.00 176.91 177.60 1u8e n SER 690 N -4.44 0.00 -0.39 1.22 3.41 -1.25 -1.47 113.62 110.71 1u8e n SER 690 Ca 0.07 0.46 0.04 0.00 -0.26 0.00 0.00 58.87 59.18 1u8e n SER 690 Cb 0.05 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 63.63 1u8e n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u8e n ARG 691 N -1.46 2.42 -0.29 4.33 1.74 -0.60 -4.77 116.66 118.03 1u8e n ARG 691 Ca 0.01 -1.70 0.07 0.00 -0.77 0.00 0.00 57.85 55.46 1u8e n ARG 691 Cb 0.04 -1.17 0.17 0.00 -1.02 0.00 0.00 32.46 30.48 1u8e n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8e h ALA 692 N 1.32 0.82 -1.00 7.54 0.00 -1.29 -1.06 119.26 125.58 1u8e h ALA 692 Ca 0.00 0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.37 1u8e h ALA 692 Cb 0.59 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1u8e h ALA 692 CO 0.00 -0.45 0.62 1.49 0.00 0.00 0.00 179.25 180.91 1u8e h GLU 693 N 0.06 0.78 0.00 0.00 4.57 -1.86 -0.47 114.58 117.66 1u8e h GLU 693 Ca 0.45 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1u8e h GLU 693 Cb 0.81 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1u8e h GLU 693 CO -0.77 0.52 -0.01 -0.91 -1.18 0.00 0.00 179.01 176.65 1u8e h ASN 694 N 0.80 0.00 0.42 1.04 -0.26 -1.48 -2.77 115.58 113.34 1u8e h ASN 694 Ca 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.30 1u8e h ASN 694 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1u8e h ASN 694 CO -0.36 0.01 0.00 0.49 -1.06 0.00 0.00 177.43 176.51 1u8e n PHE 695 N -3.14 0.06 0.28 1.19 3.72 -0.18 -2.59 117.46 116.79 1u8e n PHE 695 Ca -0.01 0.03 0.14 0.00 -0.05 0.00 0.00 57.45 57.55 1u8e n PHE 695 Cb 0.19 -0.54 0.82 0.00 -0.94 0.00 0.00 39.48 39.00 1u8e n PHE 695 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1u8e h LYS 696 N 0.00 0.00 -0.50 -1.08 1.57 -1.66 -2.44 116.57 112.46 1u8e h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u8e h LYS 696 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1u8e h LYS 696 CO 0.00 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 1u8e n GLN 697 N -3.68 2.19 -3.94 3.15 10.64 -1.07 -4.93 117.38 119.74 1u8e n GLN 697 Ca -0.02 -1.76 -0.09 0.00 -1.83 0.00 0.00 57.00 53.29 1u8e n GLN 697 Cb 0.17 -1.40 -0.09 0.00 -0.86 0.00 0.00 30.24 28.06 1u8e n GLN 697 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1u8e s VAL 698 N -1.38 0.14 -0.20 -0.39 -7.23 -0.92 -4.96 120.40 105.45 1u8e s VAL 698 Ca 0.33 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 59.15 1u8e s VAL 698 Cb 0.17 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1u8e s VAL 698 CO 0.22 -0.62 0.73 -1.61 -0.31 0.00 0.00 175.10 173.51 1u8e s GLU 699 N -2.60 4.22 0.06 4.82 2.02 -0.82 -4.96 118.70 121.45 1u8e s GLU 699 Ca -0.05 0.80 0.09 0.00 0.02 0.00 0.00 54.97 55.83 1u8e s GLU 699 Cb -0.01 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1u8e s GLU 699 CO -0.05 -0.33 -0.24 -0.47 0.02 0.00 0.00 175.26 174.19 1u8e s TYR 700 N 2.21 2.39 -0.18 1.61 5.04 -1.26 -1.00 117.35 126.16 1u8e s TYR 700 Ca 0.33 -0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1u8e s TYR 700 Cb -0.16 -1.38 0.05 0.00 0.35 0.00 0.00 41.96 40.82 1u8e s TYR 700 CO 0.10 0.22 0.01 -1.17 -1.34 0.00 0.00 175.55 173.37 1u8e s LEU 701 N -1.51 1.30 -0.20 6.97 0.20 -0.55 -1.19 118.68 123.71 1u8e s LEU 701 Ca 0.13 -0.75 -0.08 0.00 0.69 0.00 0.00 54.13 54.13 1u8e s LEU 701 Cb -0.10 -0.67 -0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1u8e s LEU 701 CO 0.04 -0.27 0.07 -0.22 -0.29 0.00 0.00 176.35 175.68 1u8e s LEU 702 N 1.80 3.76 -0.01 -0.68 0.20 -0.71 -1.10 118.68 121.94 1u8e s LEU 702 Ca -0.01 0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.86 1u8e s LEU 702 Cb -0.16 -1.96 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1u8e s LEU 702 CO -0.07 0.13 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.40 1u8e s ILE 703 N 0.66 0.63 -0.27 6.68 1.01 -0.67 -1.41 121.20 127.83 1u8e s ILE 703 Ca 0.04 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 1u8e s ILE 703 Cb -0.13 -0.53 0.09 0.00 0.01 0.00 0.00 42.46 41.90 1u8e s ILE 703 CO 0.02 0.18 0.85 -2.28 0.00 0.00 0.00 174.94 173.70 1u8e s HIS 704 N -0.17 -0.65 0.11 3.97 2.46 -0.95 -0.62 115.29 119.43 1u8e s HIS 704 Ca 0.03 1.59 -0.29 0.00 0.47 0.00 0.00 55.06 56.86 1u8e s HIS 704 Cb -0.03 0.31 -0.06 0.00 -0.13 0.00 0.00 32.58 32.67 1u8e s HIS 704 CO -0.00 -0.32 0.92 0.20 -2.47 0.00 0.00 174.74 173.07 1u8e s GLY 705 N 0.29 2.98 0.45 1.59 0.00 -1.26 -1.32 107.32 110.04 1u8e s GLY 705 Ca 0.01 0.52 0.22 0.00 0.00 0.00 0.00 44.72 45.47 1u8e s GLY 705 CO -0.02 1.35 1.94 -0.91 0.00 0.00 0.00 173.10 175.46 1u8e h THR 706 N 3.94 0.79 -0.86 0.90 1.35 -1.16 -2.99 112.91 114.88 1u8e h THR 706 Ca -0.43 -0.91 -0.39 0.00 -0.55 0.00 0.00 66.41 64.13 1u8e h THR 706 Cb 1.21 1.55 -0.23 0.00 -1.73 0.00 0.00 68.15 68.95 1u8e h THR 706 CO 0.71 0.22 0.49 0.00 -0.25 0.00 0.00 175.52 176.69 1u8e n ALA 707 N -2.33 5.08 -2.35 6.62 0.00 -0.70 -4.67 120.51 122.16 1u8e n ALA 707 Ca -0.01 -2.53 -0.43 0.00 0.00 0.00 0.00 53.44 50.47 1u8e n ALA 707 Cb 0.34 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1u8e n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u8e s ASP 708 N -1.07 6.38 0.07 0.00 -1.08 -1.13 -4.25 116.67 115.59 1u8e s ASP 708 Ca 0.53 0.91 0.26 0.00 -0.52 0.00 0.00 52.55 53.72 1u8e s ASP 708 Cb 0.44 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 40.01 1u8e s ASP 708 CO 0.11 -1.38 1.54 -0.90 0.52 0.00 0.00 175.17 175.06 1u8e n ASP 709 N 8.66 0.51 0.00 -0.34 5.75 -1.26 -3.93 116.55 125.93 1u8e n ASP 709 Ca 0.16 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 1u8e n ASP 709 Cb 0.48 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1u8e n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1u8e n ASN 710 N -1.82 0.00 -4.27 -1.12 4.05 -1.26 -4.74 115.26 106.11 1u8e n ASN 710 Ca 0.05 0.12 -0.44 0.00 0.45 0.00 0.00 54.58 54.76 1u8e n ASN 710 Cb 0.39 -0.29 -0.06 0.00 1.23 0.00 0.00 39.78 41.04 1u8e n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1u8e s VAL 711 N -0.59 4.83 0.46 3.44 1.01 -1.26 -4.78 120.40 123.51 1u8e s VAL 711 Ca 0.00 -1.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.05 1u8e s VAL 711 Cb 0.00 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1u8e s VAL 711 CO 0.00 -0.84 1.22 1.41 0.00 0.00 0.00 175.10 176.88 1u8e n HIS 712 N 5.02 1.88 -0.13 5.22 8.25 -1.25 -4.77 115.22 129.45 1u8e n HIS 712 Ca -0.10 0.49 0.27 0.00 -0.26 0.00 0.00 57.72 58.12 1u8e n HIS 712 Cb 0.41 -2.33 0.72 0.00 1.12 0.00 0.00 29.99 29.91 1u8e n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1u8e h PHE 713 N 1.72 0.00 -0.85 4.41 3.57 -1.79 0.11 116.94 124.12 1u8e h PHE 713 Ca -0.48 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.23 1u8e h PHE 713 Cb 1.31 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.92 1u8e h PHE 713 CO 0.46 0.00 0.28 0.37 -2.23 0.00 0.00 178.31 177.19 1u8e h GLN 714 N 0.00 0.29 -0.75 1.11 4.15 -1.94 0.45 115.11 118.42 1u8e h GLN 714 Ca 0.38 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.86 1u8e h GLN 714 Cb 1.61 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 29.17 1u8e h GLN 714 CO -0.00 0.19 0.41 1.96 -1.93 0.00 0.00 178.83 179.46 1u8e h GLN 715 N 0.29 0.70 0.03 1.69 4.20 -1.08 0.17 115.11 121.11 1u8e h GLN 715 Ca 0.52 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.97 1u8e h GLN 715 Cb 0.99 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1u8e h GLN 715 CO -0.57 0.46 -0.98 0.77 -0.67 0.00 0.00 178.83 177.84 1u8e h SER 716 N 0.72 0.25 -0.96 1.46 0.02 -1.46 -3.04 113.55 110.54 1u8e h SER 716 Ca 0.35 -0.23 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1u8e h SER 716 Cb 0.29 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 1u8e h SER 716 CO -0.23 1.09 0.60 0.00 -1.14 0.00 0.00 176.83 177.15 1u8e h ALA 717 N 0.89 1.40 0.00 3.77 0.00 0.40 0.59 119.26 126.30 1u8e h ALA 717 Ca -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1u8e h ALA 717 Cb 1.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1u8e h ALA 717 CO 0.15 0.24 -0.30 1.96 0.00 0.00 0.00 179.25 181.30 1u8e h GLN 718 N 0.99 0.00 -0.02 0.00 1.08 -1.00 -2.33 115.11 113.82 1u8e h GLN 718 Ca 0.46 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.62 1u8e h GLN 718 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1u8e h GLN 718 CO -0.24 0.30 -0.14 0.82 -0.95 0.00 0.00 178.83 178.62 1u8e h ILE 719 N 0.00 1.52 -0.30 2.54 2.04 -0.86 -1.80 117.51 120.65 1u8e h ILE 719 Ca -0.00 -1.73 0.01 0.00 1.00 0.00 0.00 64.86 64.14 1u8e h ILE 719 Cb 1.02 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.68 1u8e h ILE 719 CO 0.04 0.47 0.18 0.77 0.00 0.00 0.00 178.15 179.61 1u8e h SER 720 N -0.51 0.31 -0.88 1.72 4.64 -1.05 -0.87 113.55 116.91 1u8e h SER 720 Ca -0.01 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1u8e h SER 720 Cb 0.84 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.80 1u8e h SER 720 CO 0.03 0.22 0.58 0.50 -0.87 0.00 0.00 176.83 177.29 1u8e h LYS 721 N 0.38 1.01 -0.32 4.77 3.64 -1.45 0.57 116.57 125.17 1u8e h LYS 721 Ca 0.11 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1u8e h LYS 721 Cb -0.02 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1u8e h LYS 721 CO -0.04 0.67 -0.34 0.00 -2.27 0.00 0.00 179.45 177.47 1u8e h ALA 722 N 1.51 0.81 -0.16 5.00 0.00 -0.80 -0.48 119.26 125.14 1u8e h ALA 722 Ca 0.37 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1u8e h ALA 722 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1u8e h ALA 722 CO -0.13 0.64 -0.40 -0.07 0.00 0.00 0.00 179.25 179.30 1u8e h LEU 723 N 0.59 0.37 -0.18 0.00 3.38 -0.07 -2.95 115.31 116.45 1u8e h LEU 723 Ca 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1u8e h LEU 723 Cb 0.86 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1u8e h LEU 723 CO 0.07 0.74 -0.06 0.58 0.09 0.00 0.00 178.44 179.86 1u8e h VAL 724 N 0.29 1.29 -0.23 1.22 2.07 -0.60 0.13 116.25 120.42 1u8e h VAL 724 Ca 0.03 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1u8e h VAL 724 Cb 0.84 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1u8e h VAL 724 CO 0.07 0.31 0.21 0.44 0.02 0.00 0.00 177.57 178.62 1u8e h ASP 725 N 0.06 0.00 -0.36 0.57 3.32 -0.93 -0.11 116.42 118.98 1u8e h ASP 725 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1u8e h ASP 725 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1u8e h ASP 725 CO 0.02 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 1u8e n VAL 726 N -4.06 2.21 -3.74 -1.35 0.24 -1.13 -4.99 118.33 105.51 1u8e n VAL 726 Ca 0.03 -1.65 -0.23 0.00 -2.04 0.00 0.00 64.34 60.45 1u8e n VAL 726 Cb 0.35 -0.15 0.03 0.00 -1.47 0.00 0.00 33.84 32.60 1u8e n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u8e n GLY 727 N -0.07 -0.32 3.42 7.63 0.00 -0.05 -4.97 105.19 110.82 1u8e n GLY 727 Ca 0.22 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1u8e n GLY 727 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8e s VAL 728 N -3.62 3.72 0.46 1.61 0.11 -0.01 -5.03 120.40 117.65 1u8e s VAL 728 Ca 0.12 -0.40 -0.20 0.00 -2.93 0.00 0.00 61.98 58.57 1u8e s VAL 728 Cb -0.06 -2.66 -0.10 0.00 -1.53 0.00 0.00 36.38 32.03 1u8e s VAL 728 CO 0.82 0.45 0.99 -0.62 -3.33 0.00 0.00 175.10 173.41 1u8e s ASP 729 N 0.89 6.66 0.21 3.54 2.15 -1.26 -4.54 116.67 124.32 1u8e s ASP 729 Ca -0.00 1.78 -0.22 0.00 0.43 0.00 0.00 52.55 54.54 1u8e s ASP 729 Cb -0.14 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.99 1u8e s ASP 729 CO 0.01 -0.56 0.93 0.72 -0.17 0.00 0.00 175.17 176.11 1u8e s PHE 730 N -2.13 -0.04 0.17 -5.34 -0.71 -1.26 -4.77 117.98 103.90 1u8e s PHE 730 Ca 0.64 -0.37 0.05 0.00 -1.04 0.00 0.00 56.93 56.21 1u8e s PHE 730 Cb -0.12 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1u8e s PHE 730 CO 0.17 -1.02 0.15 -0.65 -1.34 0.00 0.00 175.22 172.53 1u8e s GLN 731 N -2.90 2.93 0.14 1.99 -1.52 -0.33 -5.03 119.66 114.95 1u8e s GLN 731 Ca 0.15 -0.87 -0.11 0.00 -1.95 0.00 0.00 55.36 52.58 1u8e s GLN 731 Cb -0.03 -2.66 0.01 0.00 -0.22 0.00 0.00 33.01 30.11 1u8e s GLN 731 CO 0.05 0.48 0.32 0.00 -0.25 0.00 0.00 175.29 175.89 1u8e s ALA 732 N -1.78 -0.36 -0.30 6.09 0.00 -1.26 -1.73 121.76 122.41 1u8e s ALA 732 Ca 0.31 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1u8e s ALA 732 Cb -0.10 0.73 0.14 0.00 0.00 0.00 0.00 23.12 23.89 1u8e s ALA 732 CO 0.24 -0.63 0.77 1.41 0.00 0.00 0.00 175.76 177.55 1u8e s MET 733 N -3.90 0.48 0.16 0.00 1.75 -0.50 -4.93 119.30 112.36 1u8e s MET 733 Ca 0.10 1.19 0.04 0.00 -1.25 0.00 0.00 55.69 55.77 1u8e s MET 733 Cb 0.03 0.68 -0.04 0.00 2.84 0.00 0.00 34.83 38.34 1u8e s MET 733 CO -0.05 -0.16 0.20 1.67 -0.65 0.00 0.00 175.02 176.02 1u8e s TRP 734 N 2.65 3.29 -0.27 4.11 -2.14 -1.26 -2.25 118.94 123.06 1u8e s TRP 734 Ca -0.05 0.04 0.02 0.00 2.66 0.00 0.00 56.10 58.77 1u8e s TRP 734 Cb -0.09 -1.58 0.07 0.00 -3.10 0.00 0.00 33.47 28.77 1u8e s TRP 734 CO -0.18 0.52 -0.02 0.71 -2.66 0.00 0.00 176.95 175.31 1u8e s TYR 735 N -1.74 2.79 0.03 1.66 1.51 -0.44 -4.91 117.35 116.24 1u8e s TYR 735 Ca 0.32 -2.14 -0.32 0.00 -1.01 0.00 0.00 57.07 53.92 1u8e s TYR 735 Cb -0.10 -1.96 -0.11 0.00 -0.11 0.00 0.00 41.96 39.68 1u8e s TYR 735 CO 0.25 -0.85 1.89 2.41 -1.11 0.00 0.00 175.55 178.15 1u8e n THR 736 N 4.55 0.57 -0.75 -0.71 -1.04 -1.26 -1.07 114.28 114.57 1u8e n THR 736 Ca -0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1u8e n THR 736 Cb 0.43 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 1u8e n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1u8e n ASP 737 N 6.55 -0.02 -4.82 8.00 8.00 -1.26 -4.89 116.55 128.10 1u8e n ASP 737 Ca 0.20 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 1u8e n ASP 737 Cb 0.36 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.14 1u8e n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1u8e s GLU 738 N -0.50 4.23 0.00 -1.24 0.41 -1.06 -4.60 118.70 115.95 1u8e s GLU 738 Ca 0.00 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.61 1u8e s GLU 738 Cb 0.00 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 1u8e s GLU 738 CO 0.00 0.06 0.00 -0.40 -0.49 0.00 0.00 175.26 174.43 1u8e n ASP 739 N -0.40 0.07 0.16 -0.19 5.68 -1.26 -1.72 116.55 118.89 1u8e n ASP 739 Ca 0.05 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.52 1u8e n ASP 739 Cb 0.53 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.29 1u8e n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1u8e h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.90 -1.91 115.15 113.45 1u8e h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1u8e h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1u8e h HIS 740 CO 0.00 0.00 -0.66 0.78 -0.00 0.00 0.00 177.93 178.05 1u8e h GLY 741 N 0.00 0.00 -6.96 5.26 0.00 -1.99 -3.48 103.07 95.91 1u8e h GLY 741 Ca 0.13 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 1u8e h GLY 741 CO -0.00 0.00 -0.90 1.39 0.00 0.00 0.00 176.54 177.03 1u8e n ILE 742 N -2.21 -0.71 -0.80 2.60 5.41 -0.72 -4.80 119.36 118.13 1u8e n ILE 742 Ca 0.03 -0.36 0.08 0.00 1.00 0.00 0.00 62.75 63.50 1u8e n ILE 742 Cb 0.46 -0.83 0.36 0.00 -0.71 0.00 0.00 39.64 38.92 1u8e n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u8e n ALA 743 N -4.24 3.40 -1.78 -1.39 0.00 -1.26 -3.80 120.51 111.43 1u8e n ALA 743 Ca -0.21 -1.85 -0.36 0.00 0.00 0.00 0.00 53.44 51.03 1u8e n ALA 743 Cb 0.60 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1u8e n ALA 743 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u8e s SER 744 N -1.03 6.24 0.11 0.00 0.15 -1.26 -4.79 113.70 113.11 1u8e s SER 744 Ca 0.50 2.11 -0.34 0.00 0.70 0.00 0.00 55.95 58.93 1u8e s SER 744 Cb 0.36 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.95 1u8e s SER 744 CO 0.18 -0.86 1.54 0.28 1.20 0.00 0.00 173.24 175.58 1u8e h SER 745 N 1.81 -1.60 -0.53 5.45 0.02 -1.99 0.62 113.55 117.33 1u8e h SER 745 Ca -0.49 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1u8e h SER 745 Cb 1.24 0.60 -0.03 0.00 0.14 0.00 0.00 62.40 64.35 1u8e h SER 745 CO 0.60 -0.53 0.30 0.71 -1.14 0.00 0.00 176.83 176.77 1u8e h THR 746 N -0.70 1.17 -0.46 -2.27 1.35 -1.99 -1.68 112.91 108.33 1u8e h THR 746 Ca 0.00 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1u8e h THR 746 Cb 0.73 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1u8e h THR 746 CO -0.32 0.18 0.26 0.00 -0.25 0.00 0.00 175.52 175.40 1u8e h ALA 747 N 1.14 0.59 -0.38 6.62 0.00 -1.81 0.27 119.26 125.69 1u8e h ALA 747 Ca 0.19 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1u8e h ALA 747 Cb 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1u8e h ALA 747 CO -0.03 0.10 0.10 1.25 0.00 0.00 0.00 179.25 180.68 1u8e h HIS 748 N 0.61 0.18 -0.16 0.00 2.76 0.52 0.52 115.15 119.58 1u8e h HIS 748 Ca 0.16 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1u8e h HIS 748 Cb 0.03 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1u8e h HIS 748 CO -0.02 0.05 -0.38 1.96 -1.30 0.00 0.00 177.93 178.24 1u8e h GLN 749 N 0.24 0.36 -0.11 5.26 4.20 -1.06 -2.94 115.11 121.06 1u8e h GLN 749 Ca 0.18 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1u8e h GLN 749 Cb 0.19 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1u8e h GLN 749 CO -0.21 0.69 -0.13 1.25 -0.67 0.00 0.00 178.83 179.76 1u8e h HIS 750 N 0.30 0.33 -0.63 2.96 2.76 -0.09 -2.08 115.15 118.70 1u8e h HIS 750 Ca 0.03 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 1u8e h HIS 750 Cb 0.81 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 1u8e h HIS 750 CO 0.02 0.71 0.17 0.97 -1.30 0.00 0.00 177.93 178.50 1u8e h ILE 751 N -0.14 1.24 -0.07 6.26 2.10 -0.94 0.10 117.51 126.07 1u8e h ILE 751 Ca 0.01 -0.86 -0.17 0.00 1.08 0.00 0.00 64.86 64.92 1u8e h ILE 751 Cb 0.66 0.57 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 1u8e h ILE 751 CO 0.03 0.33 -0.69 1.88 -1.08 0.00 0.00 178.15 178.62 1u8e h TYR 752 N 0.94 0.43 -0.45 2.19 0.05 -1.57 0.45 116.97 119.00 1u8e h TYR 752 Ca 0.20 -0.18 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 1u8e h TYR 752 Cb 0.30 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1u8e h TYR 752 CO 0.02 0.91 -0.01 1.15 -1.05 0.00 0.00 178.16 179.18 1u8e h THR 753 N 0.23 1.26 -0.41 -2.88 2.02 -1.06 -0.75 112.91 111.32 1u8e h THR 753 Ca -0.02 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 1u8e h THR 753 Cb 1.24 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1u8e h THR 753 CO 0.11 0.37 -0.05 -0.74 0.37 0.00 0.00 175.52 175.58 1u8e h HIS 754 N 0.65 0.83 -0.29 3.16 -0.00 -0.61 -2.85 115.15 116.04 1u8e h HIS 754 Ca 0.13 -0.16 -0.08 0.00 -0.00 0.00 0.00 60.37 60.25 1u8e h HIS 754 Cb 0.51 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1u8e h HIS 754 CO 0.04 0.85 -0.17 0.52 -0.00 0.00 0.00 177.93 179.17 1u8e h MET 755 N 0.57 0.51 -0.28 5.26 2.07 -0.79 -2.67 114.93 119.60 1u8e h MET 755 Ca 0.11 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1u8e h MET 755 Cb 0.56 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 1u8e h MET 755 CO 0.03 0.66 0.18 0.77 1.07 0.00 0.00 176.91 179.62 1u8e h SER 756 N 0.46 0.33 -0.13 1.22 0.02 -1.00 -0.80 113.55 113.64 1u8e h SER 756 Ca 0.08 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1u8e h SER 756 Cb 0.56 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1u8e h SER 756 CO 0.04 0.26 -0.11 0.45 -1.14 0.00 0.00 176.83 176.32 1u8e h HIS 757 N 0.37 -0.27 0.06 3.45 3.86 -1.27 0.34 115.15 121.70 1u8e h HIS 757 Ca 0.10 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1u8e h HIS 757 Cb -0.02 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1u8e h HIS 757 CO -0.05 -0.17 -0.27 0.35 0.86 0.00 0.00 177.93 178.65 1u8e h PHE 758 N -0.12 -0.72 -0.42 2.45 3.57 -1.19 0.22 116.94 120.73 1u8e h PHE 758 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1u8e h PHE 758 Cb 0.25 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1u8e h PHE 758 CO -0.24 -0.37 0.26 0.82 -2.23 0.00 0.00 178.31 176.56 1u8e h ILE 759 N -0.45 1.13 -0.04 1.41 1.08 -0.81 0.14 117.51 119.98 1u8e h ILE 759 Ca 0.04 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1u8e h ILE 759 Cb 0.50 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1u8e h ILE 759 CO -0.19 0.13 -0.11 0.11 -0.69 0.00 0.00 178.15 177.40 1u8e h LYS 760 N 0.56 -0.17 -0.57 2.37 1.79 -0.06 -1.19 116.57 119.29 1u8e h LYS 760 Ca 0.15 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1u8e h LYS 760 Cb -0.01 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1u8e h LYS 760 CO -0.03 -0.11 0.35 0.37 -1.08 0.00 0.00 179.45 178.94 1u8e h GLN 761 N -0.18 0.66 -0.14 3.15 -0.00 -0.74 0.33 115.11 118.19 1u8e h GLN 761 Ca 0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1u8e h GLN 761 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 1u8e h GLN 761 CO -0.14 0.44 0.00 0.00 0.00 0.00 0.00 178.83 179.13 1u8e n PHE 763 N -4.42 1.23 -3.66 0.00 3.72 -0.49 -4.94 117.46 108.90 1u8e n PHE 763 Ca -0.01 -0.53 -0.27 0.00 -0.05 0.00 0.00 57.45 56.59 1u8e n PHE 763 Cb 0.16 -0.13 0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1u8e n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1u8e n SER 764 N 1.31 -5.41 -4.86 4.37 7.64 -0.34 -4.99 113.62 111.33 1u8e n SER 764 Ca 0.24 -0.61 -0.21 0.00 1.01 0.00 0.00 58.87 59.30 1u8e n SER 764 Cb 0.75 -4.31 -0.03 0.00 -1.01 0.00 0.00 64.21 59.60 1u8e n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u8e s LEU 765 N -7.16 3.64 0.00 -3.43 1.43 0.10 -5.00 118.68 108.26 1u8e s LEU 765 Ca 0.58 -0.45 0.28 0.00 -1.03 0.00 0.00 54.13 53.50 1u8e s LEU 765 Cb -0.28 -2.26 1.07 0.00 0.03 0.00 0.00 46.19 44.75 1u8e s LEU 765 CO 0.71 -0.33 1.75 -0.81 0.23 0.00 0.00 176.35 177.90