#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2e n SER 39 N 0.00 2.34 -4.73 1.67 3.41 -1.26 -4.98 113.62 110.07 1j2e n SER 39 Ca 0.00 -1.69 -0.37 0.00 -0.26 0.00 0.00 58.87 56.55 1j2e n SER 39 Cb 0.00 0.17 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1j2e n SER 39 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1j2e s ARG 40 N -2.20 2.59 0.96 4.33 0.52 -1.26 -4.98 118.95 118.91 1j2e s ARG 40 Ca 0.26 2.08 -0.11 0.00 -0.52 0.00 0.00 55.73 57.43 1j2e s ARG 40 Cb 0.19 -1.88 0.16 0.00 0.52 0.00 0.00 34.95 33.95 1j2e s ARG 40 CO 0.41 -1.57 1.09 -1.59 0.02 0.00 0.00 175.30 173.66 1j2e s LYS 41 N -3.34 0.75 0.35 3.54 -2.85 -1.24 -4.65 119.74 112.31 1j2e s LYS 41 Ca 0.82 0.99 0.08 0.00 -1.00 0.00 0.00 55.97 56.85 1j2e s LYS 41 Cb -0.38 -1.74 -0.03 0.00 -2.06 0.00 0.00 37.83 33.62 1j2e s LYS 41 CO 0.40 -2.63 0.24 0.95 0.10 0.00 0.00 175.35 174.41 1j2e s THR 42 N -2.77 3.24 -0.37 3.79 -4.23 -1.26 -1.49 115.64 112.54 1j2e s THR 42 Ca 0.65 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.37 1j2e s THR 42 Cb -0.20 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.57 1j2e s THR 42 CO 0.59 -0.16 1.16 -0.47 -0.54 0.00 0.00 174.62 175.20 1j2e s TYR 43 N -2.37 2.90 0.46 3.99 6.14 -1.26 -4.88 117.35 122.34 1j2e s TYR 43 Ca 0.40 0.95 0.08 0.00 0.64 0.00 0.00 57.07 59.14 1j2e s TYR 43 Cb -0.04 -4.00 0.03 0.00 0.42 0.00 0.00 41.96 38.37 1j2e s TYR 43 CO 0.25 -1.20 0.63 0.95 0.64 0.00 0.00 175.55 176.83 1j2e s THR 44 N 4.16 2.81 0.18 4.34 -4.23 -1.26 -3.97 115.64 117.66 1j2e s THR 44 Ca 0.49 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 1j2e s THR 44 Cb -0.12 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 70.95 1j2e s THR 44 CO 0.23 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.38 1j2e h LEU 45 N 0.49 0.66 -1.50 4.79 5.85 -1.94 -0.62 115.31 123.03 1j2e h LEU 45 Ca -0.38 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1j2e h LEU 45 Cb 1.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1j2e h LEU 45 CO 0.45 0.51 -0.11 0.74 -0.34 0.00 0.00 178.44 179.69 1j2e h THR 46 N 0.75 1.15 -0.26 1.05 2.02 -1.97 0.33 112.91 115.99 1j2e h THR 46 Ca 0.20 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1j2e h THR 46 Cb -0.04 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1j2e h THR 46 CO -0.04 0.21 0.14 0.44 0.37 0.00 0.00 175.52 176.64 1j2e h ASP 47 N 0.18 0.32 -0.15 4.18 3.45 -1.55 0.54 116.42 123.39 1j2e h ASP 47 Ca 0.04 -0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.33 1j2e h ASP 47 Cb 0.32 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1j2e h ASP 47 CO 0.02 0.32 -0.22 0.22 -1.57 0.00 0.00 179.24 178.01 1j2e h TYR 48 N 0.30 0.52 -0.04 4.55 3.20 -0.51 -2.48 116.97 122.50 1j2e h TYR 48 Ca 0.09 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1j2e h TYR 48 Cb 0.07 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1j2e h TYR 48 CO -0.03 0.84 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.78 1j2e h LEU 49 N 0.04 0.12 -1.82 2.82 3.38 -0.25 -3.19 115.31 116.41 1j2e h LEU 49 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j2e h LEU 49 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1j2e h LEU 49 CO 0.05 0.58 0.00 0.29 0.09 0.00 0.00 178.44 179.45 1j2e n LYS 50 N -3.97 2.23 -2.95 1.13 4.76 0.19 -4.96 118.16 114.59 1j2e n LYS 50 Ca -0.02 -1.81 -0.20 0.00 -2.87 0.00 0.00 58.31 53.41 1j2e n LYS 50 Cb 0.51 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 32.26 1j2e n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1j2e n ASN 51 N 1.13 -5.69 -0.18 4.39 3.02 -1.03 -4.91 115.26 111.99 1j2e n ASN 51 Ca 0.16 -0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.43 1j2e n ASN 51 Cb 0.54 -4.51 0.08 0.00 -0.61 0.00 0.00 39.78 35.28 1j2e n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1j2e h THR 52 N -1.29 0.83 -3.31 3.41 2.02 -1.72 -3.35 112.91 109.51 1j2e h THR 52 Ca -0.48 -0.14 -0.73 0.00 0.77 0.00 0.00 66.41 65.84 1j2e h THR 52 Cb 1.33 0.39 -0.29 0.00 -1.74 0.00 0.00 68.15 67.84 1j2e h THR 52 CO 0.51 0.07 -0.39 -0.31 0.37 0.00 0.00 175.52 175.78 1j2e s TYR 53 N -6.11 3.39 -0.07 3.16 1.51 -1.26 -5.07 117.35 112.89 1j2e s TYR 53 Ca -0.13 -1.73 -0.09 0.00 -1.01 0.00 0.00 57.07 54.10 1j2e s TYR 53 Cb 0.15 -3.41 -0.05 0.00 -0.11 0.00 0.00 41.96 38.55 1j2e s TYR 53 CO 0.74 -0.96 0.23 0.50 -1.11 0.00 0.00 175.55 174.94 1j2e s ARG 54 N 1.40 3.59 -0.29 -0.62 3.52 -1.26 -5.06 118.95 120.23 1j2e s ARG 54 Ca 0.05 0.03 -0.24 0.00 -0.13 0.00 0.00 55.73 55.44 1j2e s ARG 54 Cb -0.26 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1j2e s ARG 54 CO 0.00 0.74 0.81 -0.51 -0.81 0.00 0.00 175.30 175.54 1j2e s LEU 55 N -1.12 4.07 0.62 -0.88 1.43 -1.26 -4.80 118.68 116.74 1j2e s LEU 55 Ca 0.19 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 53.89 1j2e s LEU 55 Cb -0.13 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 1j2e s LEU 55 CO 0.08 -0.61 1.10 -0.54 0.23 0.00 0.00 176.35 176.62 1j2e s LYS 56 N 2.97 3.04 0.42 1.70 -0.14 -1.26 -5.05 119.74 121.42 1j2e s LYS 56 Ca 0.34 1.42 0.04 0.00 -1.36 0.00 0.00 55.97 56.41 1j2e s LYS 56 Cb -0.14 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 1j2e s LYS 56 CO 0.12 -1.06 0.16 -0.51 -0.76 0.00 0.00 175.35 173.29 1j2e s LEU 57 N -4.51 1.96 -0.47 3.17 1.43 -1.26 -4.94 118.68 114.07 1j2e s LEU 57 Ca 0.68 -1.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.10 1j2e s LEU 57 Cb -0.21 0.00 0.19 0.00 0.03 0.00 0.00 46.19 46.21 1j2e s LEU 57 CO 0.37 -1.00 0.57 0.00 0.23 0.00 0.00 176.35 176.52 1j2e n TYR 58 N -0.93 -2.43 -3.00 0.29 9.36 -1.26 -4.96 117.16 114.23 1j2e n TYR 58 Ca -0.05 -2.31 -0.42 0.00 3.32 0.00 0.00 57.90 58.44 1j2e n TYR 58 Cb 0.64 0.89 -0.06 0.00 -0.63 0.00 0.00 39.34 40.19 1j2e n TYR 58 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1j2e s SER 59 N 0.25 6.48 0.30 2.98 0.01 -1.26 -5.04 113.70 117.43 1j2e s SER 59 Ca 0.32 0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.85 1j2e s SER 59 Cb 0.04 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1j2e s SER 59 CO -0.13 -0.74 -0.01 -1.48 0.41 0.00 0.00 173.24 171.29 1j2e s LEU 60 N 3.05 3.04 -0.22 2.44 0.05 -1.26 -4.65 118.68 121.13 1j2e s LEU 60 Ca 0.29 -0.84 -0.01 0.00 0.05 0.00 0.00 54.13 53.61 1j2e s LEU 60 Cb -0.13 -1.50 0.06 0.00 -2.05 0.00 0.00 46.19 42.57 1j2e s LEU 60 CO 0.18 -0.12 0.02 -0.13 -0.55 0.00 0.00 176.35 175.74 1j2e s ARG 61 N -3.69 0.95 0.00 1.48 0.52 -0.86 -4.92 118.95 112.44 1j2e s ARG 61 Ca 0.33 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 1j2e s ARG 61 Cb -0.03 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 1j2e s ARG 61 CO 0.19 -0.67 1.72 -1.58 0.02 0.00 0.00 175.30 174.99 1j2e s TRP 62 N 1.69 1.95 -2.11 -0.53 0.52 -1.26 -0.41 118.94 118.79 1j2e s TRP 62 Ca -0.01 0.08 0.20 0.00 0.02 0.00 0.00 56.10 56.39 1j2e s TRP 62 Cb -0.18 -4.01 0.07 0.00 -1.15 0.00 0.00 33.47 28.21 1j2e s TRP 62 CO -0.09 -4.25 1.05 0.44 0.02 0.00 0.00 176.95 174.11 1j2e n ILE 63 N 5.27 0.00 -3.10 2.03 -5.35 -0.82 -4.88 119.36 112.50 1j2e n ILE 63 Ca 0.17 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1j2e n ILE 63 Cb 0.42 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 1j2e n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1j2e n SER 64 N 0.47 0.00 -0.56 7.28 3.41 -1.18 -4.98 113.62 118.06 1j2e n SER 64 Ca 0.10 -0.68 0.12 0.00 -0.26 0.00 0.00 58.87 58.14 1j2e n SER 64 Cb 0.45 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.81 1j2e n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1j2e n ASP 65 N -0.39 1.70 0.00 4.04 2.03 -1.26 -2.38 116.55 120.29 1j2e n ASP 65 Ca 0.00 -1.66 0.00 0.00 0.52 0.00 0.00 54.79 53.65 1j2e n ASP 65 Cb 0.00 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1j2e n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1j2e n HIS 66 N 0.34 0.00 -4.40 -0.67 8.25 -1.26 -4.58 115.22 112.89 1j2e n HIS 66 Ca 0.17 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 1j2e n HIS 66 Cb 0.35 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 1j2e n HIS 66 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1j2e s GLU 67 N -1.70 1.49 0.09 -0.41 -1.05 -1.26 -1.75 118.70 114.11 1j2e s GLU 67 Ca 0.00 -1.71 0.01 0.00 -0.15 0.00 0.00 54.97 53.12 1j2e s GLU 67 Cb 0.00 -1.24 -0.04 0.00 -0.44 0.00 0.00 34.13 32.41 1j2e s GLU 67 CO 0.00 0.14 -0.06 1.52 0.95 0.00 0.00 175.26 177.80 1j2e s TYR 68 N -2.92 0.83 0.22 4.83 1.13 -1.04 -1.95 117.35 118.45 1j2e s TYR 68 Ca 0.27 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1j2e s TYR 68 Cb 0.01 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 40.34 1j2e s TYR 68 CO 0.10 -0.17 0.40 -0.51 -2.51 0.00 0.00 175.55 172.86 1j2e s LEU 69 N -2.93 4.22 -0.13 -3.49 1.43 0.46 -0.54 118.68 117.69 1j2e s LEU 69 Ca 0.10 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.27 1j2e s LEU 69 Cb 0.04 -3.15 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1j2e s LEU 69 CO -0.05 -0.07 0.78 -0.47 0.23 0.00 0.00 176.35 176.77 1j2e s TYR 70 N -1.92 -0.61 -0.42 0.29 5.04 0.24 -2.03 117.35 117.93 1j2e s TYR 70 Ca 0.38 1.19 -0.12 0.00 -2.44 0.00 0.00 57.07 56.08 1j2e s TYR 70 Cb -0.11 0.39 0.06 0.00 0.35 0.00 0.00 41.96 42.65 1j2e s TYR 70 CO 0.30 -0.48 0.29 0.15 -1.34 0.00 0.00 175.55 174.47 1j2e s LYS 71 N -0.75 2.79 -0.01 4.97 1.02 -1.26 0.19 119.74 126.69 1j2e s LYS 71 Ca -0.06 -1.31 -0.04 0.00 0.02 0.00 0.00 55.97 54.59 1j2e s LYS 71 Cb -0.01 -3.89 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 1j2e s LYS 71 CO 0.05 -0.90 0.53 0.37 -0.92 0.00 0.00 175.35 174.48 1j2e h GLN 72 N 8.53 -0.13 0.00 1.68 5.75 -1.95 -3.46 115.11 125.53 1j2e h GLN 72 Ca -0.25 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1j2e h GLN 72 Cb 1.10 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1j2e h GLN 72 CO 0.77 -0.09 0.00 0.39 -2.65 0.00 0.00 178.83 177.25 1j2e n GLU 73 N -2.67 0.00 0.00 1.69 -0.58 -1.26 -4.97 120.64 112.85 1j2e n GLU 73 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1j2e n GLU 73 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 1j2e n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j2e n ASN 74 N 0.00 0.13 -4.90 1.62 3.02 -1.26 -5.03 115.26 108.84 1j2e n ASN 74 Ca 0.00 -0.52 -0.29 0.00 -0.03 0.00 0.00 54.58 53.74 1j2e n ASN 74 Cb 0.00 0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 39.88 1j2e n ASN 74 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j2e s ASN 75 N -0.74 6.47 -0.15 6.41 2.20 -1.26 -4.39 114.94 123.47 1j2e s ASN 75 Ca 0.00 0.80 -0.16 0.00 -0.94 0.00 0.00 52.86 52.57 1j2e s ASN 75 Cb 0.00 -2.18 -0.04 0.00 -2.00 0.00 0.00 41.25 37.03 1j2e s ASN 75 CO 0.00 -0.23 0.37 -0.63 -2.94 0.00 0.00 177.10 173.67 1j2e s ILE 76 N -2.12 5.25 0.16 0.54 1.01 0.13 -3.41 121.20 122.76 1j2e s ILE 76 Ca 0.45 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.88 1j2e s ILE 76 Cb -0.11 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1j2e s ILE 76 CO 0.30 0.35 -0.04 -0.76 0.00 0.00 0.00 174.94 174.79 1j2e s LEU 77 N 0.65 3.21 -0.15 2.97 1.43 0.51 -0.17 118.68 127.14 1j2e s LEU 77 Ca 0.20 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1j2e s LEU 77 Cb -0.14 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1j2e s LEU 77 CO 0.07 0.11 -0.18 0.54 0.23 0.00 0.00 176.35 177.12 1j2e s VAL 78 N -1.61 2.46 -0.04 -1.59 0.11 -0.38 0.79 120.40 120.13 1j2e s VAL 78 Ca 0.26 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 1j2e s VAL 78 Cb -0.10 -2.02 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 1j2e s VAL 78 CO 0.17 0.53 -0.04 -0.36 -3.33 0.00 0.00 175.10 172.07 1j2e s PHE 79 N 0.77 3.00 -0.46 1.54 0.40 0.30 -2.48 117.98 121.05 1j2e s PHE 79 Ca -0.07 0.06 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 1j2e s PHE 79 Cb -0.16 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.71 1j2e s PHE 79 CO 0.00 0.40 0.77 1.21 0.70 0.00 0.00 175.22 178.30 1j2e s ASN 80 N -1.12 6.38 0.21 1.36 3.84 0.12 -2.51 114.94 123.23 1j2e s ASN 80 Ca 0.15 -0.22 -0.09 0.00 0.21 0.00 0.00 52.86 52.92 1j2e s ASN 80 Cb -0.11 -2.37 0.27 0.00 -0.55 0.00 0.00 41.25 38.48 1j2e s ASN 80 CO 0.05 -0.93 1.79 0.00 -2.79 0.00 0.00 177.10 175.22 1j2e h ALA 81 N 9.00 0.89 0.00 1.71 0.00 -1.65 0.83 119.26 130.04 1j2e h ALA 81 Ca -0.25 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j2e h ALA 81 Cb 1.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1j2e h ALA 81 CO 0.96 -0.03 -0.02 1.49 0.00 0.00 0.00 179.25 181.65 1j2e h GLU 82 N 0.60 0.00 0.00 0.00 4.81 -1.92 -3.25 114.58 114.82 1j2e h GLU 82 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1j2e h GLU 82 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1j2e h GLU 82 CO -0.23 0.02 0.00 0.66 -0.73 0.00 0.00 179.01 178.73 1j2e n TYR 83 N -4.02 0.00 -0.97 0.92 4.01 -1.04 -5.02 117.16 111.04 1j2e n TYR 83 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1j2e n TYR 83 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1j2e n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j2e n GLY 84 N 0.51 0.43 3.90 2.72 0.00 0.28 -5.01 105.19 108.02 1j2e n GLY 84 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1j2e n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j2e s ASN 85 N -2.16 6.41 0.00 1.61 4.22 -1.24 -4.76 114.94 119.02 1j2e s ASN 85 Ca 0.00 0.93 0.00 0.00 -2.14 0.00 0.00 52.86 51.65 1j2e s ASN 85 Cb 0.00 -2.24 0.00 0.00 1.28 0.00 0.00 41.25 40.29 1j2e s ASN 85 CO 0.00 -0.40 0.00 -1.54 -2.04 0.00 0.00 177.10 173.12 1j2e n SER 86 N -1.55 0.00 -3.61 3.54 3.41 -1.26 0.15 113.62 114.30 1j2e n SER 86 Ca 0.00 -0.15 -0.02 0.00 -0.26 0.00 0.00 58.87 58.44 1j2e n SER 86 Cb 0.54 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1j2e n SER 86 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j2e s SER 87 N 1.03 -0.07 -0.22 4.04 1.04 -1.03 -5.00 113.70 113.49 1j2e s SER 87 Ca 0.00 -0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.11 1j2e s SER 87 Cb 0.00 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1j2e s SER 87 CO 0.00 -0.16 1.18 -0.69 0.98 0.00 0.00 173.24 174.55 1j2e s VAL 88 N -2.26 4.42 0.08 5.02 1.01 -1.26 -1.25 120.40 126.15 1j2e s VAL 88 Ca 0.12 1.69 -0.06 0.00 0.00 0.00 0.00 61.98 63.73 1j2e s VAL 88 Cb 0.01 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 31.97 1j2e s VAL 88 CO -0.04 -0.22 1.17 0.15 0.00 0.00 0.00 175.10 176.16 1j2e h PHE 89 N 8.08 0.58 -1.11 5.22 3.04 -0.85 -3.45 116.94 128.45 1j2e h PHE 89 Ca -0.23 -0.39 0.10 0.00 3.98 0.00 0.00 57.97 61.42 1j2e h PHE 89 Cb 1.08 -0.03 -0.21 0.00 2.56 0.00 0.00 35.95 39.35 1j2e h PHE 89 CO 0.80 1.28 -0.21 -1.17 -2.02 0.00 0.00 178.31 176.99 1j2e s LEU 90 N -7.35 -1.27 0.28 0.59 2.96 -0.65 -5.00 118.68 108.24 1j2e s LEU 90 Ca -0.05 0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 54.52 1j2e s LEU 90 Cb 0.07 2.13 -0.09 0.00 0.50 0.00 0.00 46.19 48.79 1j2e s LEU 90 CO 0.89 -0.24 0.97 -1.83 -1.32 0.00 0.00 176.35 174.82 1j2e s GLU 91 N 2.86 4.72 0.00 1.98 -1.05 -1.26 0.21 118.70 126.16 1j2e s GLU 91 Ca 0.15 1.49 0.00 0.00 -0.15 0.00 0.00 54.97 56.46 1j2e s GLU 91 Cb -0.14 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.45 1j2e s GLU 91 CO -0.20 0.38 0.11 0.27 0.95 0.00 0.00 175.26 176.77 1j2e n ASN 92 N 1.11 0.00 -0.06 0.83 0.23 -1.26 -1.12 115.26 114.99 1j2e n ASN 92 Ca -0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.02 1j2e n ASN 92 Cb 0.48 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.02 1j2e n ASN 92 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1j2e n SER 93 N -0.48 0.05 -0.21 0.53 2.88 -1.26 -4.65 113.62 110.48 1j2e n SER 93 Ca 0.00 0.02 -0.08 0.00 -1.33 0.00 0.00 58.87 57.48 1j2e n SER 93 Cb 0.00 1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 64.72 1j2e n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j2e h THR 94 N 0.00 0.09 -1.97 2.46 1.03 -1.51 -3.00 112.91 110.01 1j2e h THR 94 Ca -0.34 0.00 -0.75 0.00 -0.01 0.00 0.00 66.41 65.31 1j2e h THR 94 Cb 1.79 0.09 -0.29 0.00 -1.07 0.00 0.00 68.15 68.67 1j2e h THR 94 CO 0.02 0.00 0.79 0.49 -0.01 0.00 0.00 175.52 176.81 1j2e n PHE 95 N -5.41 3.04 0.12 0.00 3.01 -1.26 -4.63 117.46 112.32 1j2e n PHE 95 Ca 0.02 -2.49 -0.23 0.00 1.01 0.00 0.00 57.45 55.75 1j2e n PHE 95 Cb 0.35 -1.03 -0.15 0.00 -0.01 0.00 0.00 39.48 38.64 1j2e n PHE 95 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1j2e h ASP 96 N 3.09 0.76 -0.89 4.37 5.19 -1.81 -3.30 116.42 123.83 1j2e h ASP 96 Ca 0.52 -0.91 -0.59 0.00 -0.62 0.00 0.00 57.03 55.42 1j2e h ASP 96 Cb 0.19 -0.25 -0.26 0.00 0.18 0.00 0.00 39.33 39.19 1j2e h ASP 96 CO 1.31 1.62 0.76 -0.62 -3.12 0.00 0.00 179.24 179.20 1j2e n GLU 97 N -3.83 2.47 0.13 3.56 4.71 -1.26 -4.35 120.64 122.06 1j2e n GLU 97 Ca -0.16 -2.91 0.12 0.00 -0.01 0.00 0.00 57.16 54.20 1j2e n GLU 97 Cb 1.02 -2.14 0.18 0.00 -1.01 0.00 0.00 31.44 29.49 1j2e n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1j2e h PHE 98 N 1.78 0.00 -0.58 -0.32 3.57 -1.91 -3.47 116.94 116.01 1j2e h PHE 98 Ca 0.55 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.80 1j2e h PHE 98 Cb 1.03 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.67 1j2e h PHE 98 CO 1.32 0.00 -0.23 0.41 -2.23 0.00 0.00 178.31 177.59 1j2e n GLY 99 N 1.22 1.29 3.30 2.40 0.00 -1.26 -4.96 105.19 107.17 1j2e n GLY 99 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1j2e n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j2e s HIS 100 N -2.34 -0.30 -0.37 1.61 3.76 -1.26 -5.12 115.29 111.27 1j2e s HIS 100 Ca 0.00 0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 55.17 1j2e s HIS 100 Cb 0.00 0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.87 1j2e s HIS 100 CO 0.00 -0.43 0.78 -1.12 -0.85 0.00 0.00 174.74 173.13 1j2e s SER 101 N -1.22 6.55 -0.40 1.40 0.01 -1.26 -5.00 113.70 113.78 1j2e s SER 101 Ca -0.12 0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.18 1j2e s SER 101 Cb -0.04 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1j2e s SER 101 CO 0.05 -0.74 1.32 -0.63 0.41 0.00 0.00 173.24 173.65 1j2e s ILE 102 N 3.11 4.04 0.15 1.44 1.01 -1.26 -4.43 121.20 125.26 1j2e s ILE 102 Ca 0.31 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 62.02 1j2e s ILE 102 Cb -0.13 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 37.90 1j2e s ILE 102 CO 0.17 -0.74 1.36 -1.13 0.00 0.00 0.00 174.94 174.60 1j2e h ASN 103 N 10.00 0.51 -4.73 3.58 -1.24 -0.78 -3.48 115.58 119.44 1j2e h ASN 103 Ca -0.26 -0.38 0.08 0.00 0.71 0.00 0.00 56.30 56.45 1j2e h ASN 103 Cb 1.09 -0.15 -0.14 0.00 0.73 0.00 0.00 38.32 39.84 1j2e h ASN 103 CO 1.08 1.15 0.42 -0.62 -1.29 0.00 0.00 177.43 178.17 1j2e s ASP 104 N -7.03 -0.42 0.26 1.15 3.68 -1.15 -5.03 116.67 108.14 1j2e s ASP 104 Ca -0.06 0.00 0.03 0.00 2.13 0.00 0.00 52.55 54.66 1j2e s ASP 104 Cb 0.10 0.44 -0.05 0.00 -1.45 0.00 0.00 42.92 41.95 1j2e s ASP 104 CO 0.85 -0.71 0.03 -0.72 0.13 0.00 0.00 175.17 174.76 1j2e s TYR 105 N -3.27 1.66 -0.24 -5.34 -0.85 -1.26 -0.61 117.35 107.44 1j2e s TYR 105 Ca 0.04 -0.99 -0.12 0.00 -0.52 0.00 0.00 57.07 55.48 1j2e s TYR 105 Cb -0.01 -1.00 0.08 0.00 0.38 0.00 0.00 41.96 41.41 1j2e s TYR 105 CO -0.10 -0.09 0.56 0.45 -1.52 0.00 0.00 175.55 174.85 1j2e s SER 106 N -3.35 -0.76 -0.10 -0.18 0.15 0.22 -4.95 113.70 104.74 1j2e s SER 106 Ca 0.33 1.27 -0.13 0.00 0.70 0.00 0.00 55.95 58.12 1j2e s SER 106 Cb 0.07 1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1j2e s SER 106 CO 0.12 -0.22 0.30 -0.63 1.20 0.00 0.00 173.24 174.00 1j2e s ILE 107 N 1.90 5.26 0.49 6.45 1.09 -1.26 0.19 121.20 135.31 1j2e s ILE 107 Ca -0.08 0.58 -0.23 0.00 -1.10 0.00 0.00 60.65 59.82 1j2e s ILE 107 Cb -0.08 -3.61 -0.06 0.00 -1.06 0.00 0.00 42.46 37.65 1j2e s ILE 107 CO -0.17 0.51 1.27 -0.94 -0.10 0.00 0.00 174.94 175.51 1j2e s SER 108 N -0.41 5.79 0.30 3.58 1.04 0.07 -4.85 113.70 119.22 1j2e s SER 108 Ca 0.19 2.56 -0.01 0.00 0.48 0.00 0.00 55.95 59.17 1j2e s SER 108 Cb -0.14 -2.62 0.68 0.00 0.10 0.00 0.00 66.02 64.03 1j2e s SER 108 CO 0.07 -1.20 1.57 -0.65 0.98 0.00 0.00 173.24 174.02 1j2e h PRO 109 N 1.88 0.01 0.00 4.02 0.11 -1.79 0.77 132.00 137.01 1j2e h PRO 109 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j2e h PRO 109 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j2e h PRO 109 CO 0.59 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1j2e n ASP 110 N -5.50 0.00 -0.59 -2.05 5.68 -1.00 -4.86 116.55 108.22 1j2e n ASP 110 Ca 0.21 -1.29 -0.08 0.00 -0.50 0.00 0.00 54.79 53.14 1j2e n ASP 110 Cb 0.69 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.64 1j2e n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j2e n GLY 111 N 0.51 0.79 0.13 6.12 0.00 0.27 -4.85 105.19 108.16 1j2e n GLY 111 Ca 0.10 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1j2e n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1j2e h GLN 112 N 0.08 0.00 -4.52 1.61 4.20 -1.90 -3.47 115.11 111.11 1j2e h GLN 112 Ca -0.16 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 1j2e h GLN 112 Cb 1.00 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.62 1j2e h GLN 112 CO 0.23 0.12 -0.70 -0.06 -0.67 0.00 0.00 178.83 177.75 1j2e s PHE 113 N -3.19 0.74 -0.07 2.96 0.40 -1.26 -2.50 117.98 115.06 1j2e s PHE 113 Ca 0.01 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.50 1j2e s PHE 113 Cb 0.08 -0.45 0.02 0.00 0.51 0.00 0.00 43.02 43.18 1j2e s PHE 113 CO 0.77 -0.19 -0.11 -1.50 0.70 0.00 0.00 175.22 174.89 1j2e s ILE 114 N -3.17 1.10 -0.34 0.64 2.07 -0.71 -0.75 121.20 120.05 1j2e s ILE 114 Ca 0.05 -0.44 -0.20 0.00 -1.41 0.00 0.00 60.65 58.66 1j2e s ILE 114 Cb 0.02 -1.03 -0.00 0.00 0.13 0.00 0.00 42.46 41.58 1j2e s ILE 114 CO -0.05 0.35 0.60 -0.22 -1.91 0.00 0.00 174.94 173.72 1j2e s LEU 115 N 0.82 4.24 -0.08 8.50 2.96 0.52 -1.07 118.68 134.57 1j2e s LEU 115 Ca -0.12 0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 1j2e s LEU 115 Cb -0.15 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 1j2e s LEU 115 CO 0.02 -0.53 0.30 -0.76 -1.32 0.00 0.00 176.35 174.06 1j2e s LEU 116 N 2.59 4.39 -0.13 -0.68 1.43 -0.83 -0.61 118.68 124.85 1j2e s LEU 116 Ca 0.23 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1j2e s LEU 116 Cb -0.15 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1j2e s LEU 116 CO 0.13 0.29 -0.20 -0.70 0.23 0.00 0.00 176.35 176.11 1j2e s GLU 117 N -0.67 3.12 0.34 1.70 2.12 0.22 -1.86 118.70 123.67 1j2e s GLU 117 Ca 0.19 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.70 1j2e s GLU 117 Cb -0.14 -2.46 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 1j2e s GLU 117 CO 0.08 0.08 0.44 1.52 -0.54 0.00 0.00 175.26 176.85 1j2e s TYR 118 N 0.60 1.18 -1.66 5.30 1.13 -0.08 0.03 117.35 123.84 1j2e s TYR 118 Ca -0.11 -1.36 -0.03 0.00 -1.41 0.00 0.00 57.07 54.17 1j2e s TYR 118 Cb -0.16 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 1j2e s TYR 118 CO 0.03 -1.09 0.34 0.09 -2.51 0.00 0.00 175.55 172.41 1j2e n ASN 119 N -1.43 -6.05 -4.69 -0.18 3.02 -1.26 0.12 115.26 104.79 1j2e n ASN 119 Ca 0.02 -0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 1j2e n ASN 119 Cb 0.62 -4.95 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 1j2e n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j2e s TYR 120 N -3.12 2.55 -0.19 3.10 6.14 -1.26 -4.19 117.35 120.38 1j2e s TYR 120 Ca 0.17 0.45 -0.01 0.00 0.64 0.00 0.00 57.07 58.32 1j2e s TYR 120 Cb -0.08 -3.89 0.05 0.00 0.42 0.00 0.00 41.96 38.46 1j2e s TYR 120 CO 0.21 -3.52 -0.01 0.08 0.64 0.00 0.00 175.55 172.95 1j2e s VAL 121 N 2.51 0.89 0.66 3.14 1.01 -0.33 -5.01 120.40 123.27 1j2e s VAL 121 Ca 0.71 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1j2e s VAL 121 Cb -0.38 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1j2e s VAL 121 CO 0.31 -0.07 1.16 -0.75 0.00 0.00 0.00 175.10 175.75 1j2e s LYS 122 N 1.70 2.65 0.00 2.72 2.20 -1.26 -2.16 119.74 125.59 1j2e s LYS 122 Ca -0.01 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 1j2e s LYS 122 Cb -0.17 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1j2e s LYS 122 CO -0.07 -1.41 0.00 0.94 -0.36 0.00 0.00 175.35 174.45 1j2e n GLN 123 N -2.27 0.00 0.00 4.03 7.27 -0.88 -4.91 117.38 120.62 1j2e n GLN 123 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1j2e n GLN 123 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 1j2e n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1j2e n TRP 124 N 0.00 0.00 0.15 3.69 5.03 -1.23 -4.97 117.44 120.12 1j2e n TRP 124 Ca 0.00 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.56 1j2e n TRP 124 Cb 0.00 0.00 0.43 0.00 -1.03 0.00 0.00 31.31 30.71 1j2e n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 1j2e h ARG 125 N 0.00 0.17 0.00 -0.99 2.43 -1.98 -3.36 114.38 110.65 1j2e h ARG 125 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1j2e h ARG 125 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1j2e h ARG 125 CO 0.00 0.31 -0.69 0.72 -1.51 0.00 0.00 179.97 178.80 1j2e n HIS 126 N -4.30 0.00 -2.38 2.20 8.25 -1.26 -5.09 115.22 112.64 1j2e n HIS 126 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1j2e n HIS 126 Cb 0.25 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1j2e n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1j2e s SER 127 N -1.88 6.48 -0.14 0.41 1.04 -1.26 -4.67 113.70 113.68 1j2e s SER 127 Ca 0.00 1.65 -0.34 0.00 0.48 0.00 0.00 55.95 57.74 1j2e s SER 127 Cb 0.00 -2.52 0.14 0.00 0.10 0.00 0.00 66.02 63.74 1j2e s SER 127 CO 0.00 -0.69 1.32 -0.72 0.98 0.00 0.00 173.24 174.14 1j2e s TYR 128 N -2.52 -0.05 0.28 5.02 1.13 -1.26 -2.08 117.35 117.87 1j2e s TYR 128 Ca 0.61 0.00 0.09 0.00 -1.41 0.00 0.00 57.07 56.36 1j2e s TYR 128 Cb -0.11 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 1j2e s TYR 128 CO 0.30 -0.14 -0.13 0.95 -2.51 0.00 0.00 175.55 174.02 1j2e s THR 129 N -2.25 2.03 0.11 -3.49 -4.23 -0.92 -4.55 115.64 102.34 1j2e s THR 129 Ca 0.13 -2.24 -0.25 0.00 -1.18 0.00 0.00 61.69 58.14 1j2e s THR 129 Cb 0.03 -2.36 0.08 0.00 1.34 0.00 0.00 72.50 71.59 1j2e s THR 129 CO -0.04 -0.37 1.11 0.00 -0.54 0.00 0.00 174.62 174.77 1j2e s ALA 130 N -2.77 -1.86 0.24 3.99 0.00 -1.08 -1.19 121.76 119.09 1j2e s ALA 130 Ca 0.29 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1j2e s ALA 130 Cb -0.00 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1j2e s ALA 130 CO 0.13 -1.07 0.10 -1.12 0.00 0.00 0.00 175.76 173.80 1j2e s SER 131 N -3.29 5.12 0.02 0.00 0.01 0.32 -2.29 113.70 113.58 1j2e s SER 131 Ca 0.20 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 1j2e s SER 131 Cb -0.01 -1.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 1j2e s SER 131 CO 0.02 -0.00 0.05 -0.31 0.41 0.00 0.00 173.24 173.40 1j2e s TYR 132 N -2.12 0.18 -0.06 2.43 2.02 -1.26 -0.90 117.35 117.63 1j2e s TYR 132 Ca 0.32 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1j2e s TYR 132 Cb -0.08 -0.14 0.04 0.00 -0.40 0.00 0.00 41.96 41.38 1j2e s TYR 132 CO 0.22 -0.25 0.09 -0.51 -1.57 0.00 0.00 175.55 173.53 1j2e s ASP 133 N -1.54 1.14 0.03 2.29 1.01 -0.78 -4.62 116.67 114.20 1j2e s ASP 133 Ca -0.14 0.08 -0.29 0.00 0.71 0.00 0.00 52.55 52.91 1j2e s ASP 133 Cb -0.08 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 1j2e s ASP 133 CO -0.01 -0.26 0.95 -0.63 0.21 0.00 0.00 175.17 175.43 1j2e s ILE 134 N 2.20 4.76 -0.15 0.77 1.01 -1.26 -1.97 121.20 126.57 1j2e s ILE 134 Ca 0.04 2.00 -0.03 0.00 0.00 0.00 0.00 60.65 62.66 1j2e s ILE 134 Cb -0.12 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1j2e s ILE 134 CO -0.04 0.22 -0.03 -0.47 0.00 0.00 0.00 174.94 174.62 1j2e s TYR 135 N 0.64 3.04 -1.06 3.97 5.04 -0.24 -1.85 117.35 126.89 1j2e s TYR 135 Ca 0.49 -0.23 -0.17 0.00 -2.44 0.00 0.00 57.07 54.71 1j2e s TYR 135 Cb -0.21 -1.93 0.13 0.00 0.35 0.00 0.00 41.96 40.29 1j2e s TYR 135 CO 0.28 0.03 1.32 0.34 -1.34 0.00 0.00 175.55 176.17 1j2e s ASP 136 N 0.20 6.78 0.35 4.32 3.68 0.15 -1.74 116.67 130.42 1j2e s ASP 136 Ca -0.02 -2.34 0.18 0.00 2.13 0.00 0.00 52.55 52.50 1j2e s ASP 136 Cb -0.14 -2.43 1.24 0.00 -1.45 0.00 0.00 42.92 40.14 1j2e s ASP 136 CO 0.03 -1.01 1.54 0.18 0.13 0.00 0.00 175.17 176.04 1j2e n LEU 137 N 6.63 0.28 0.00 -1.34 4.77 -1.04 0.13 117.00 126.43 1j2e n LEU 137 Ca 0.31 1.63 0.00 0.00 -0.03 0.00 0.00 56.01 57.92 1j2e n LEU 137 Cb 0.47 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1j2e n LEU 137 CO 0.58 -1.80 0.21 0.59 -1.33 0.00 0.00 177.39 175.65 1j2e n ASN 138 N -5.24 0.00 0.00 -1.43 4.13 -1.26 -3.16 115.26 108.31 1j2e n ASN 138 Ca 0.35 0.67 0.01 0.00 1.68 0.00 0.00 54.58 57.30 1j2e n ASN 138 Cb 1.19 -0.45 0.08 0.00 -1.54 0.00 0.00 39.78 39.06 1j2e n ASN 138 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1j2e n LYS 139 N -1.84 0.08 -4.27 3.52 5.02 -1.00 -4.78 118.16 114.88 1j2e n LYS 139 Ca 0.00 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 1j2e n LYS 139 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1j2e n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j2e n ARG 140 N -1.04 -1.47 -4.05 1.97 1.74 0.34 -4.93 116.66 109.22 1j2e n ARG 140 Ca 0.02 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.16 1j2e n ARG 140 Cb 0.01 -3.98 -0.11 0.00 -1.02 0.00 0.00 32.46 27.37 1j2e n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j2e s GLN 141 N -7.19 0.51 -0.12 5.56 0.74 -1.05 -4.95 119.66 113.16 1j2e s GLN 141 Ca 0.14 -0.84 -0.19 0.00 0.05 0.00 0.00 55.36 54.52 1j2e s GLN 141 Cb -0.08 -0.10 -0.04 0.00 1.10 0.00 0.00 33.01 33.89 1j2e s GLN 141 CO 0.98 -0.01 0.53 -1.17 -0.55 0.00 0.00 175.29 175.07 1j2e s LEU 142 N -1.88 4.27 0.19 3.68 0.20 -1.26 0.32 118.68 124.19 1j2e s LEU 142 Ca -0.07 0.87 -0.30 0.00 0.69 0.00 0.00 54.13 55.32 1j2e s LEU 142 Cb -0.06 -2.77 -0.08 0.00 -0.43 0.00 0.00 46.19 42.85 1j2e s LEU 142 CO -0.02 -0.05 1.14 -0.63 -0.29 0.00 0.00 176.35 176.50 1j2e s ILE 143 N 0.79 3.72 0.00 6.68 1.01 -0.77 -4.93 121.20 127.70 1j2e s ILE 143 Ca 0.28 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1j2e s ILE 143 Cb -0.16 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1j2e s ILE 143 CO 0.12 0.26 0.75 0.35 0.00 0.00 0.00 174.94 176.42 1j2e n THR 144 N 2.31 0.55 -4.43 2.92 -2.24 -1.26 -4.70 114.28 107.43 1j2e n THR 144 Ca 0.03 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.77 1j2e n THR 144 Cb 0.45 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 1j2e n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j2e s GLU 145 N -0.55 2.82 -1.42 -0.78 0.41 -1.26 -4.64 118.70 113.28 1j2e s GLU 145 Ca 0.00 -0.53 -0.02 0.00 -0.41 0.00 0.00 54.97 54.01 1j2e s GLU 145 Cb 0.00 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 1j2e s GLU 145 CO 0.00 0.66 0.33 0.39 -0.49 0.00 0.00 175.26 176.16 1j2e n GLU 146 N 1.91 -2.45 -1.82 1.61 -0.58 -1.26 -4.59 120.64 113.46 1j2e n GLU 146 Ca -0.17 0.31 -0.34 0.00 -0.42 0.00 0.00 57.16 56.55 1j2e n GLU 146 Cb 0.53 -4.18 0.04 0.00 -0.57 0.00 0.00 31.44 27.26 1j2e n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1j2e s ARG 147 N -6.78 2.84 0.25 3.49 0.52 -1.26 -4.79 118.95 113.22 1j2e s ARG 147 Ca 0.04 1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 56.43 1j2e s ARG 147 Cb -0.02 -1.95 -0.10 0.00 0.52 0.00 0.00 34.95 33.40 1j2e s ARG 147 CO 0.92 -1.23 1.38 0.42 0.02 0.00 0.00 175.30 176.81 1j2e s ILE 148 N -2.19 2.81 0.73 1.52 1.01 -1.26 -4.95 121.20 118.87 1j2e s ILE 148 Ca 0.69 0.70 -0.15 0.00 0.00 0.00 0.00 60.65 61.89 1j2e s ILE 148 Cb -0.22 -3.45 0.04 0.00 0.01 0.00 0.00 42.46 38.84 1j2e s ILE 148 CO 0.39 0.12 1.20 -2.16 0.00 0.00 0.00 174.94 174.49 1j2e s PRO 149 N -0.57 2.16 0.81 2.79 0.04 -1.26 -4.69 135.00 134.28 1j2e s PRO 149 Ca 0.57 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 1j2e s PRO 149 Cb -0.40 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.38 1j2e s PRO 149 CO 0.44 -1.82 1.09 -0.80 0.04 0.00 0.00 177.00 175.95 1j2e s ASN 150 N -2.08 4.20 -1.20 6.66 0.01 -1.26 -3.75 114.94 117.52 1j2e s ASN 150 Ca 0.74 1.66 -0.05 0.00 -0.71 0.00 0.00 52.86 54.49 1j2e s ASN 150 Cb -0.28 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1j2e s ASN 150 CO 0.45 -2.20 1.03 0.59 -1.51 0.00 0.00 177.10 175.46 1j2e n ASN 151 N -3.62 -4.55 -4.72 -1.22 4.13 -1.21 -4.97 115.26 99.11 1j2e n ASN 151 Ca 0.08 -0.52 -0.40 0.00 1.68 0.00 0.00 54.58 55.41 1j2e n ASN 151 Cb 0.54 -4.71 -0.04 0.00 -1.54 0.00 0.00 39.78 34.03 1j2e n ASN 151 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1j2e s THR 152 N -3.31 4.96 0.10 3.41 2.01 -0.97 -4.59 115.64 117.26 1j2e s THR 152 Ca 0.34 1.66 0.10 0.00 0.31 0.00 0.00 61.69 64.10 1j2e s THR 152 Cb -0.15 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 1j2e s THR 152 CO 0.67 0.23 1.41 1.56 -0.69 0.00 0.00 174.62 177.80 1j2e h GLN 153 N 6.68 0.00 -1.63 4.92 4.20 -1.27 -2.85 115.11 125.16 1j2e h GLN 153 Ca -0.41 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.35 1j2e h GLN 153 Cb 1.21 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.74 1j2e h GLN 153 CO 0.75 0.79 0.46 -0.46 -0.67 0.00 0.00 178.83 179.71 1j2e s TRP 154 N -2.99 -0.45 -0.11 2.96 -0.11 -1.20 -4.53 118.94 112.51 1j2e s TRP 154 Ca 0.01 0.95 -0.10 0.00 1.22 0.00 0.00 56.10 58.18 1j2e s TRP 154 Cb 0.10 0.40 0.03 0.00 -1.50 0.00 0.00 33.47 32.50 1j2e s TRP 154 CO 0.79 -0.31 0.30 0.54 -4.62 0.00 0.00 176.95 173.64 1j2e s VAL 155 N -0.46 0.00 -0.08 5.86 0.11 -1.26 0.65 120.40 125.23 1j2e s VAL 155 Ca -0.00 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.85 1j2e s VAL 155 Cb -0.03 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1j2e s VAL 155 CO -0.01 -0.01 0.43 0.28 -3.33 0.00 0.00 175.10 172.46 1j2e s THR 156 N 0.11 0.03 0.70 5.04 -1.32 0.56 -4.99 115.64 115.77 1j2e s THR 156 Ca -0.00 -0.21 -0.10 0.00 -1.21 0.00 0.00 61.69 60.16 1j2e s THR 156 Cb -0.02 -0.69 0.02 0.00 -1.51 0.00 0.00 72.50 70.30 1j2e s THR 156 CO 0.01 -0.11 1.07 0.26 -2.21 0.00 0.00 174.62 173.63 1j2e s TRP 157 N -0.70 3.24 0.68 9.09 0.52 -1.26 -1.32 118.94 129.18 1j2e s TRP 157 Ca -0.08 0.90 -0.11 0.00 0.02 0.00 0.00 56.10 56.82 1j2e s TRP 157 Cb -0.03 -3.07 -0.00 0.00 -1.15 0.00 0.00 33.47 29.21 1j2e s TRP 157 CO 0.04 -1.20 1.07 -1.54 0.02 0.00 0.00 176.95 175.34 1j2e s SER 158 N -4.39 5.70 0.52 2.95 1.04 -0.56 -4.87 113.70 114.09 1j2e s SER 158 Ca 0.58 1.24 0.19 0.00 0.48 0.00 0.00 55.95 58.45 1j2e s SER 158 Cb -0.11 -2.13 1.30 0.00 0.10 0.00 0.00 66.02 65.18 1j2e s SER 158 CO 0.50 -1.19 2.08 -0.65 0.98 0.00 0.00 173.24 174.95 1j2e h PRO 159 N -0.55 0.03 -4.37 4.02 0.11 -1.80 -3.42 132.00 126.02 1j2e h PRO 159 Ca -0.45 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 1j2e h PRO 159 Cb 1.23 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.10 1j2e h PRO 159 CO 0.63 0.02 -0.74 0.08 -0.21 0.00 0.00 178.00 177.78 1j2e s VAL 160 N -5.07 0.42 0.00 3.15 1.01 -1.26 -4.75 120.40 113.90 1j2e s VAL 160 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1j2e s VAL 160 Cb 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1j2e s VAL 160 CO 0.70 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1j2e n GLY 161 N 2.02 0.52 2.15 4.51 0.00 -1.26 -4.47 105.19 108.66 1j2e n GLY 161 Ca -0.19 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1j2e n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1j2e n HIS 162 N 9.06 0.18 -2.32 1.61 1.44 -1.26 -2.39 115.22 121.53 1j2e n HIS 162 Ca 0.00 -1.34 -0.33 0.00 -2.01 0.00 0.00 57.72 54.04 1j2e n HIS 162 Cb 0.00 0.17 -0.01 0.00 0.12 0.00 0.00 29.99 30.26 1j2e n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1j2e s LYS 163 N -1.48 3.58 0.07 -1.40 1.02 -1.26 -4.59 119.74 115.68 1j2e s LYS 163 Ca 0.23 1.30 0.08 0.00 0.02 0.00 0.00 55.97 57.61 1j2e s LYS 163 Cb 0.32 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1j2e s LYS 163 CO -0.09 -0.60 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.00 1j2e s LEU 164 N -3.92 2.22 -0.03 3.17 1.43 0.56 -1.49 118.68 120.61 1j2e s LEU 164 Ca 0.66 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1j2e s LEU 164 Cb -0.16 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.03 1j2e s LEU 164 CO 0.27 0.16 0.01 0.00 0.23 0.00 0.00 176.35 177.03 1j2e s ALA 165 N -0.91 0.30 0.05 4.21 0.00 -0.44 -0.73 121.76 124.24 1j2e s ALA 165 Ca 0.09 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 1j2e s ALA 165 Cb -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1j2e s ALA 165 CO 0.03 -0.14 0.17 1.52 0.00 0.00 0.00 175.76 177.34 1j2e s TYR 166 N 1.19 0.12 -0.15 0.00 -0.85 -0.67 -0.32 117.35 116.67 1j2e s TYR 166 Ca -0.07 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.02 1j2e s TYR 166 Cb -0.13 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.11 1j2e s TYR 166 CO -0.02 -0.45 -0.05 0.08 -1.52 0.00 0.00 175.55 173.59 1j2e s VAL 167 N -2.96 3.77 -0.03 -3.49 1.01 0.21 -1.16 120.40 117.75 1j2e s VAL 167 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1j2e s VAL 167 Cb 0.01 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1j2e s VAL 167 CO -0.06 0.50 0.02 0.86 0.00 0.00 0.00 175.10 176.42 1j2e s TRP 168 N 0.34 0.24 -1.51 5.22 -0.00 -0.28 -0.92 118.94 122.04 1j2e s TRP 168 Ca -0.05 0.06 -0.11 0.00 -0.00 0.00 0.00 56.10 56.00 1j2e s TRP 168 Cb -0.14 -0.42 0.07 0.00 -0.00 0.00 0.00 33.47 32.98 1j2e s TRP 168 CO 0.03 -0.15 0.85 0.09 -0.00 0.00 0.00 176.95 177.78 1j2e n ASN 169 N 4.43 -3.49 -0.51 5.86 5.03 -1.26 -1.56 115.26 123.76 1j2e n ASN 169 Ca -0.21 -0.84 -0.07 0.00 0.87 0.00 0.00 54.58 54.33 1j2e n ASN 169 Cb 0.50 -3.67 -0.03 0.00 -1.02 0.00 0.00 39.78 35.57 1j2e n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1j2e n ASN 170 N -2.86 -4.76 -4.38 6.41 4.13 -1.26 -4.32 115.26 108.22 1j2e n ASN 170 Ca -0.05 0.16 -0.23 0.00 1.68 0.00 0.00 54.58 56.14 1j2e n ASN 170 Cb 0.56 -2.84 -0.11 0.00 -1.54 0.00 0.00 39.78 35.85 1j2e n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1j2e s ASP 171 N -2.43 3.00 -0.12 6.41 1.01 -0.60 -2.74 116.67 121.20 1j2e s ASP 171 Ca 0.00 -0.89 -0.09 0.00 0.71 0.00 0.00 52.55 52.27 1j2e s ASP 171 Cb 0.00 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 1j2e s ASP 171 CO 0.00 0.01 0.20 -0.63 0.21 0.00 0.00 175.17 174.96 1j2e s ILE 172 N -2.04 5.40 0.11 0.77 1.01 -1.26 -1.12 121.20 124.06 1j2e s ILE 172 Ca 0.19 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.23 1j2e s ILE 172 Cb -0.06 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1j2e s ILE 172 CO 0.09 0.56 -0.13 -0.31 0.00 0.00 0.00 174.94 175.15 1j2e s TYR 173 N -0.65 1.29 -0.00 3.97 1.51 -0.31 0.46 117.35 123.62 1j2e s TYR 173 Ca 0.15 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1j2e s TYR 173 Cb -0.13 -0.68 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1j2e s TYR 173 CO 0.04 0.10 -0.05 0.08 -1.11 0.00 0.00 175.55 174.61 1j2e s VAL 174 N -2.21 0.40 -0.19 0.71 1.01 0.49 -1.67 120.40 118.94 1j2e s VAL 174 Ca 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1j2e s VAL 174 Cb -0.04 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1j2e s VAL 174 CO 0.02 0.12 -0.15 -0.54 0.00 0.00 0.00 175.10 174.54 1j2e s LYS 175 N -0.08 2.53 0.07 2.72 1.02 0.09 0.24 119.74 126.33 1j2e s LYS 175 Ca 0.02 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 1j2e s LYS 175 Cb -0.02 -2.46 -0.13 0.00 -0.52 0.00 0.00 37.83 34.69 1j2e s LYS 175 CO -0.00 -0.30 1.33 0.82 -0.92 0.00 0.00 175.35 176.27 1j2e h ILE 176 N 6.16 1.33 -3.67 2.17 1.08 -1.85 0.16 117.51 122.90 1j2e h ILE 176 Ca -0.37 -1.64 -0.64 0.00 -0.39 0.00 0.00 64.86 61.82 1j2e h ILE 176 Cb 1.12 1.89 -0.32 0.00 -3.07 0.00 0.00 36.82 36.44 1j2e h ILE 176 CO 0.56 0.51 -0.86 -1.61 -0.69 0.00 0.00 178.15 176.05 1j2e s GLU 177 N -4.02 2.45 0.66 2.37 0.41 -1.26 -4.32 118.70 114.98 1j2e s GLU 177 Ca -0.12 -0.76 0.28 0.00 -0.41 0.00 0.00 54.97 53.95 1j2e s GLU 177 Cb 0.07 -1.98 1.52 0.00 -1.78 0.00 0.00 34.13 31.97 1j2e s GLU 177 CO 0.83 0.23 1.86 -1.00 -0.49 0.00 0.00 175.26 176.69 1j2e h PRO 178 N 6.46 0.00 0.00 0.39 0.13 -1.84 -0.83 132.00 136.32 1j2e h PRO 178 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1j2e h PRO 178 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1j2e h PRO 178 CO 0.47 0.00 -0.82 0.27 -0.23 0.00 0.00 178.00 177.70 1j2e n ASN 179 N -2.94 0.87 -4.92 1.44 6.94 -1.26 -4.81 115.26 110.58 1j2e n ASN 179 Ca -0.01 -0.65 -0.26 0.00 -0.02 0.00 0.00 54.58 53.64 1j2e n ASN 179 Cb 0.44 1.12 0.03 0.00 -2.36 0.00 0.00 39.78 39.01 1j2e n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1j2e s LEU 180 N -2.88 3.33 0.44 -4.53 1.43 -0.32 -4.19 118.68 111.97 1j2e s LEU 180 Ca 0.03 0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 1j2e s LEU 180 Cb 0.10 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.76 1j2e s LEU 180 CO 0.55 -0.97 1.31 -2.84 0.23 0.00 0.00 176.35 174.62 1j2e s PRO 181 N -4.90 3.79 0.40 1.29 0.02 -1.26 -4.82 135.00 129.51 1j2e s PRO 181 Ca 0.53 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.66 1j2e s PRO 181 Cb -0.10 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.75 1j2e s PRO 181 CO 0.44 -0.64 0.66 -1.54 -0.33 0.00 0.00 177.00 175.59 1j2e s SER 182 N -0.83 6.32 -0.03 2.53 1.04 -1.26 -4.73 113.70 116.75 1j2e s SER 182 Ca 0.60 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.74 1j2e s SER 182 Cb -0.38 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1j2e s SER 182 CO 0.48 -0.40 0.15 -0.31 0.98 0.00 0.00 173.24 174.14 1j2e s TYR 183 N -2.46 3.50 -0.21 5.02 1.51 0.14 -4.86 117.35 119.98 1j2e s TYR 183 Ca 0.44 0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 56.69 1j2e s TYR 183 Cb -0.10 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1j2e s TYR 183 CO 0.38 0.64 0.44 0.50 -1.11 0.00 0.00 175.55 176.40 1j2e s ARG 184 N -1.72 4.15 -0.07 -0.62 3.52 -1.26 -0.37 118.95 122.57 1j2e s ARG 184 Ca 0.24 0.25 0.10 0.00 -0.13 0.00 0.00 55.73 56.19 1j2e s ARG 184 Cb -0.12 -3.57 -0.24 0.00 -1.56 0.00 0.00 34.95 29.47 1j2e s ARG 184 CO 0.15 -0.12 0.55 -0.89 -0.81 0.00 0.00 175.30 174.18 1j2e n ILE 185 N 4.54 1.61 -4.26 4.11 2.08 0.17 -4.91 119.36 122.71 1j2e n ILE 185 Ca -0.07 -0.78 -0.17 0.00 0.56 0.00 0.00 62.75 62.29 1j2e n ILE 185 Cb 0.51 -1.09 -0.11 0.00 -0.75 0.00 0.00 39.64 38.21 1j2e n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1j2e s THR 186 N -2.58 1.32 0.00 1.39 -4.23 -1.21 -4.92 115.64 105.40 1j2e s THR 186 Ca -0.08 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1j2e s THR 186 Cb 0.08 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1j2e s THR 186 CO 0.81 -0.56 0.60 0.79 -0.54 0.00 0.00 174.62 175.73 1j2e n TRP 187 N 0.17 0.00 1.02 3.99 8.01 -1.26 -4.56 117.44 124.81 1j2e n TRP 187 Ca -0.13 -0.15 0.11 0.00 -1.31 0.00 0.00 57.50 56.03 1j2e n TRP 187 Cb 0.59 -0.01 0.04 0.00 -2.01 0.00 0.00 31.31 29.91 1j2e n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1j2e n THR 188 N -0.15 0.00 -1.37 -0.99 -2.24 -1.26 -5.00 114.28 103.28 1j2e n THR 188 Ca 0.00 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1j2e n THR 188 Cb 0.38 0.78 0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1j2e n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j2e n GLY 189 N 1.47 -2.19 3.22 3.38 0.00 -1.25 -4.69 105.19 105.13 1j2e n GLY 189 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1j2e n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j2e s LYS 190 N -1.38 0.23 -0.20 1.61 2.20 -0.99 -4.90 119.74 116.31 1j2e s LYS 190 Ca 0.62 0.46 -0.37 0.00 -0.36 0.00 0.00 55.97 56.32 1j2e s LYS 190 Cb -0.57 0.26 -0.17 0.00 -1.51 0.00 0.00 37.83 35.84 1j2e s LYS 190 CO 0.60 -0.19 1.13 -1.91 -0.36 0.00 0.00 175.35 174.62 1j2e n GLU 191 N 5.27 0.00 -1.89 4.03 2.13 -1.26 -0.55 120.64 128.37 1j2e n GLU 191 Ca -0.07 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.57 1j2e n GLU 191 Cb 0.53 -1.29 -0.05 0.00 0.27 0.00 0.00 31.44 30.91 1j2e n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1j2e n ASP 192 N 2.29 -4.82 0.08 4.31 8.00 -1.26 -4.72 116.55 120.44 1j2e n ASP 192 Ca 0.22 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1j2e n ASP 192 Cb 0.01 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 36.91 1j2e n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1j2e n ILE 193 N -2.83 0.00 -4.37 0.53 5.41 0.29 -4.75 119.36 113.65 1j2e n ILE 193 Ca -0.19 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.26 1j2e n ILE 193 Cb 0.61 -0.50 -0.16 0.00 -0.71 0.00 0.00 39.64 38.87 1j2e n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1j2e s ILE 194 N -2.00 1.71 -0.19 1.39 -1.09 -0.62 0.21 121.20 120.61 1j2e s ILE 194 Ca 0.00 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1j2e s ILE 194 Cb 0.00 -1.56 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 1j2e s ILE 194 CO 0.00 0.48 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.71 1j2e s TYR 195 N 1.10 2.86 -0.21 3.97 1.51 0.34 -2.35 117.35 124.57 1j2e s TYR 195 Ca -0.03 -1.67 -0.04 0.00 -1.01 0.00 0.00 57.07 54.33 1j2e s TYR 195 Cb -0.14 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1j2e s TYR 195 CO -0.05 -0.80 -0.04 -0.80 -1.11 0.00 0.00 175.55 172.75 1j2e s ASN 196 N 1.28 4.36 0.00 2.29 0.01 -1.11 -0.82 114.94 120.95 1j2e s ASN 196 Ca 0.03 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1j2e s ASN 196 Cb -0.14 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.78 1j2e s ASN 196 CO -0.11 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1j2e n GLY 197 N 4.60 2.39 3.09 0.66 0.00 -0.93 -4.36 105.19 110.64 1j2e n GLY 197 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1j2e n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j2e s ILE 198 N -2.45 0.57 0.52 -0.61 -4.36 -1.26 0.62 121.20 114.23 1j2e s ILE 198 Ca 0.00 -1.35 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1j2e s ILE 198 Cb 0.00 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.75 1j2e s ILE 198 CO 0.00 -0.55 0.81 0.42 0.24 0.00 0.00 174.94 175.86 1j2e s THR 199 N -2.12 4.23 0.34 8.37 -4.23 0.14 -4.74 115.64 117.63 1j2e s THR 199 Ca -0.03 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1j2e s THR 199 Cb -0.05 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.23 1j2e s THR 199 CO -0.01 -0.59 0.47 -0.90 -0.54 0.00 0.00 174.62 173.04 1j2e n ASP 200 N -2.36 0.47 0.24 3.99 5.75 -1.26 -4.80 116.55 118.58 1j2e n ASP 200 Ca 0.02 -1.43 -0.15 0.00 -0.01 0.00 0.00 54.79 53.22 1j2e n ASP 200 Cb 0.57 -0.32 -0.08 0.00 -1.03 0.00 0.00 41.12 40.26 1j2e n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1j2e h TRP 201 N -0.67 -0.59 0.00 2.11 7.01 -2.00 -1.98 115.95 119.83 1j2e h TRP 201 Ca -0.15 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.76 1j2e h TRP 201 Cb 0.53 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1j2e h TRP 201 CO 0.00 -0.36 -0.37 -0.24 -2.79 0.00 0.00 178.44 174.68 1j2e h VAL 202 N -0.59 1.27 -0.15 2.65 3.04 -1.95 -2.28 116.25 118.24 1j2e h VAL 202 Ca -0.05 -1.28 -0.18 0.00 -1.01 0.00 0.00 66.70 64.18 1j2e h VAL 202 Cb 0.47 1.69 0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1j2e h VAL 202 CO 0.06 0.37 -0.61 1.88 -1.01 0.00 0.00 177.57 178.25 1j2e h TYR 203 N 0.00 0.91 -0.57 3.17 -1.99 -1.92 -0.62 116.97 115.96 1j2e h TYR 203 Ca -0.00 -0.39 0.01 0.00 2.00 0.00 0.00 58.73 60.35 1j2e h TYR 203 Cb 0.66 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 1j2e h TYR 203 CO 0.00 1.19 0.37 1.49 -0.00 0.00 0.00 178.16 181.21 1j2e h GLU 204 N 0.37 0.73 0.17 4.88 4.81 -1.15 0.24 114.58 124.63 1j2e h GLU 204 Ca -0.03 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.81 1j2e h GLU 204 Cb 1.24 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1j2e h GLU 204 CO 0.13 0.48 -1.72 1.49 -0.73 0.00 0.00 179.01 178.66 1j2e h GLU 205 N 0.75 0.35 0.00 1.92 4.57 -1.46 -1.53 114.58 119.18 1j2e h GLU 205 Ca 0.21 -0.60 -0.03 0.00 -1.18 0.00 0.00 59.36 57.76 1j2e h GLU 205 Cb -0.07 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1j2e h GLU 205 CO -0.06 1.26 -1.68 0.39 -1.18 0.00 0.00 179.01 177.74 1j2e n GLU 206 N -3.55 0.62 -0.07 1.92 -0.58 -0.24 -4.57 120.64 114.18 1j2e n GLU 206 Ca -0.23 -0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.27 1j2e n GLU 206 Cb 1.07 -1.33 -0.06 0.00 -0.57 0.00 0.00 31.44 30.54 1j2e n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1j2e n VAL 207 N -2.06 0.83 0.33 2.62 0.31 -0.71 -4.83 118.33 114.82 1j2e n VAL 207 Ca -0.05 -0.27 0.04 0.00 -0.01 0.00 0.00 64.34 64.04 1j2e n VAL 207 Cb 0.44 -1.30 -0.01 0.00 -0.91 0.00 0.00 33.84 32.06 1j2e n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1j2e n PHE 208 N -3.24 0.00 -1.79 3.52 3.01 0.78 -4.93 117.46 114.81 1j2e n PHE 208 Ca -0.27 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.11 1j2e n PHE 208 Cb 0.75 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.20 1j2e n PHE 208 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1j2e n SER 209 N -0.53 -2.43 -3.74 4.37 7.64 -0.60 -4.84 113.62 113.49 1j2e n SER 209 Ca 0.03 0.25 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 1j2e n SER 209 Cb 0.15 -2.30 -0.06 0.00 -1.01 0.00 0.00 64.21 60.99 1j2e n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j2e s ALA 210 N -2.00 -0.60 -0.11 -0.43 0.00 -1.07 -4.94 121.76 112.61 1j2e s ALA 210 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 51.96 51.83 1j2e s ALA 210 Cb 0.00 0.57 -0.20 0.00 0.00 0.00 0.00 23.12 23.50 1j2e s ALA 210 CO 0.00 -0.57 0.62 0.98 0.00 0.00 0.00 175.76 176.79 1j2e n TYR 211 N -0.09 0.74 -2.76 0.00 9.36 -1.26 -4.13 117.16 119.02 1j2e n TYR 211 Ca -0.16 0.26 -0.32 0.00 3.32 0.00 0.00 57.90 61.00 1j2e n TYR 211 Cb 0.63 -1.06 -0.04 0.00 -0.63 0.00 0.00 39.34 38.24 1j2e n TYR 211 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1j2e s SER 212 N -5.72 6.65 -0.36 2.98 1.04 -1.26 0.28 113.70 117.30 1j2e s SER 212 Ca -0.05 1.36 0.13 0.00 0.48 0.00 0.00 55.95 57.87 1j2e s SER 212 Cb 0.08 -2.41 0.39 0.00 0.10 0.00 0.00 66.02 64.18 1j2e s SER 212 CO 0.83 -0.42 0.88 0.00 0.98 0.00 0.00 173.24 175.51 1j2e n ALA 213 N -1.14 2.21 -3.45 5.32 0.00 0.20 -4.62 120.51 119.02 1j2e n ALA 213 Ca 0.04 -2.99 -0.13 0.00 0.00 0.00 0.00 53.44 50.36 1j2e n ALA 213 Cb 0.54 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 1j2e n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1j2e s LEU 214 N -2.71 1.04 -0.26 0.00 0.05 -1.25 -1.48 118.68 114.08 1j2e s LEU 214 Ca 0.33 0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.78 1j2e s LEU 214 Cb 0.39 0.38 0.07 0.00 -2.05 0.00 0.00 46.19 44.97 1j2e s LEU 214 CO -0.04 -0.11 -0.01 0.26 -0.55 0.00 0.00 176.35 175.91 1j2e s TRP 215 N 0.74 2.34 0.52 3.48 0.51 0.30 -4.94 118.94 121.90 1j2e s TRP 215 Ca -0.06 -1.84 -0.21 0.00 -2.12 0.00 0.00 56.10 51.88 1j2e s TRP 215 Cb -0.07 -1.73 -0.06 0.00 -0.81 0.00 0.00 33.47 30.80 1j2e s TRP 215 CO -0.04 -0.80 1.22 -1.58 -0.51 0.00 0.00 176.95 175.24 1j2e s TRP 216 N 1.41 2.59 0.68 -1.98 0.52 -1.26 -1.56 118.94 119.34 1j2e s TRP 216 Ca -0.01 1.49 -0.11 0.00 0.02 0.00 0.00 56.10 57.50 1j2e s TRP 216 Cb -0.18 -3.49 0.00 0.00 -1.15 0.00 0.00 33.47 28.64 1j2e s TRP 216 CO -0.10 -2.02 1.06 -1.54 0.02 0.00 0.00 176.95 174.38 1j2e s SER 217 N -1.37 5.58 0.20 2.95 1.04 0.69 -4.89 113.70 117.90 1j2e s SER 217 Ca 0.70 1.38 -0.22 0.00 0.48 0.00 0.00 55.95 58.29 1j2e s SER 217 Cb -0.31 -2.28 0.14 0.00 0.10 0.00 0.00 66.02 63.66 1j2e s SER 217 CO 0.36 -1.28 1.55 -0.65 0.98 0.00 0.00 173.24 174.20 1j2e h PRO 218 N -0.61 -0.03 -0.51 4.02 0.11 -1.90 0.16 132.00 133.24 1j2e h PRO 218 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1j2e h PRO 218 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j2e h PRO 218 CO 0.61 -0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 1j2e n ASN 219 N -5.41 2.73 0.00 -2.05 0.23 -1.26 -4.28 115.26 105.21 1j2e n ASN 219 Ca 0.07 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1j2e n ASN 219 Cb 0.36 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1j2e n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j2e n GLY 220 N 1.22 0.98 0.06 4.83 0.00 0.56 -4.68 105.19 108.16 1j2e n GLY 220 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1j2e n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1j2e h THR 221 N 0.00 0.98 -2.97 2.61 2.02 -1.92 -3.44 112.91 110.19 1j2e h THR 221 Ca 0.00 -0.06 -0.61 0.00 0.77 0.00 0.00 66.41 66.50 1j2e h THR 221 Cb 0.00 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1j2e h THR 221 CO 0.00 0.02 -0.45 -0.36 0.37 0.00 0.00 175.52 175.10 1j2e s PHE 222 N -6.07 3.51 -0.11 3.16 0.40 -1.26 -0.31 117.98 117.31 1j2e s PHE 222 Ca -0.13 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1j2e s PHE 222 Cb 0.06 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.78 1j2e s PHE 222 CO 0.66 0.56 -0.10 -1.17 0.70 0.00 0.00 175.22 175.87 1j2e s LEU 223 N -2.49 1.35 0.13 -0.37 2.96 0.71 -0.22 118.68 120.74 1j2e s LEU 223 Ca 0.36 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1j2e s LEU 223 Cb -0.13 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1j2e s LEU 223 CO 0.26 -0.08 -0.05 0.00 -1.32 0.00 0.00 176.35 175.17 1j2e s ALA 224 N 1.46 3.11 0.18 5.97 0.00 -0.60 0.27 121.76 132.15 1j2e s ALA 224 Ca 0.01 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 1j2e s ALA 224 Cb -0.13 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1j2e s ALA 224 CO -0.06 0.60 0.49 1.52 0.00 0.00 0.00 175.76 178.31 1j2e s TYR 225 N -1.42 -0.08 0.23 0.00 1.13 -0.32 0.11 117.35 117.00 1j2e s TYR 225 Ca 0.24 -0.26 0.08 0.00 -1.41 0.00 0.00 57.07 55.72 1j2e s TYR 225 Cb -0.11 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.05 1j2e s TYR 225 CO 0.16 -0.87 0.09 0.00 -2.51 0.00 0.00 175.55 172.42 1j2e s ALA 226 N -3.87 3.37 -0.06 9.51 0.00 -0.55 -1.42 121.76 128.74 1j2e s ALA 226 Ca 0.09 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1j2e s ALA 226 Cb -0.00 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1j2e s ALA 226 CO -0.04 0.33 -0.06 -1.14 0.00 0.00 0.00 175.76 174.86 1j2e s GLN 227 N -3.53 1.02 -0.07 0.00 0.74 0.67 -2.19 119.66 116.30 1j2e s GLN 227 Ca 0.31 -0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.61 1j2e s GLN 227 Cb -0.08 -1.03 -0.02 0.00 1.10 0.00 0.00 33.01 32.98 1j2e s GLN 227 CO 0.22 -0.11 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.61 1j2e s PHE 228 N 1.08 2.64 -0.25 1.67 0.40 -0.00 -1.11 117.98 122.41 1j2e s PHE 228 Ca -0.08 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1j2e s PHE 228 Cb -0.14 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.75 1j2e s PHE 228 CO -0.01 -0.06 -0.08 1.21 0.70 0.00 0.00 175.22 176.98 1j2e s ASN 229 N -0.24 4.27 -0.35 1.36 3.84 -0.59 -0.50 114.94 122.73 1j2e s ASN 229 Ca 0.00 -0.97 0.06 0.00 0.21 0.00 0.00 52.86 52.16 1j2e s ASN 229 Cb -0.13 -1.63 0.47 0.00 -0.55 0.00 0.00 41.25 39.40 1j2e s ASN 229 CO 0.03 -0.14 1.40 0.47 -2.79 0.00 0.00 177.10 176.08 1j2e n ASP 230 N 4.62 4.59 -0.11 -4.21 10.43 0.13 -1.94 116.55 130.07 1j2e n ASP 230 Ca -0.16 -3.78 -0.06 0.00 2.57 0.00 0.00 54.79 53.36 1j2e n ASP 230 Cb 0.46 -0.54 0.02 0.00 1.84 0.00 0.00 41.12 42.91 1j2e n ASP 230 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1j2e h THR 231 N 1.61 0.88 -0.46 -3.53 2.02 -1.86 -2.91 112.91 108.64 1j2e h THR 231 Ca 0.35 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 1j2e h THR 231 Cb 1.39 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1j2e h THR 231 CO 0.76 0.05 0.00 -0.62 0.37 0.00 0.00 175.52 176.09 1j2e n GLU 232 N -5.03 4.18 -2.99 6.66 1.02 -1.26 -4.95 120.64 118.28 1j2e n GLU 232 Ca 0.02 -3.06 -0.41 0.00 -0.02 0.00 0.00 57.16 53.69 1j2e n GLU 232 Cb 0.14 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.39 1j2e n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j2e s VAL 233 N -2.80 4.89 0.69 2.62 1.01 -1.10 -4.67 120.40 121.02 1j2e s VAL 233 Ca 0.50 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 1j2e s VAL 233 Cb 0.39 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1j2e s VAL 233 CO 0.13 -0.08 0.56 -2.65 0.00 0.00 0.00 175.10 173.07 1j2e n PRO 234 N 5.93 0.38 -4.28 2.72 -0.02 -1.26 -4.61 135.00 133.86 1j2e n PRO 234 Ca 0.03 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.32 1j2e n PRO 234 Cb 0.48 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 32.04 1j2e n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j2e s LEU 235 N -0.21 3.71 -0.04 2.45 1.43 -1.26 -1.85 118.68 122.91 1j2e s LEU 235 Ca 0.67 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 1j2e s LEU 235 Cb -0.37 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1j2e s LEU 235 CO 0.56 0.37 0.43 -0.51 0.23 0.00 0.00 176.35 177.43 1j2e s ILE 236 N -0.94 5.08 -0.01 -0.59 1.10 -0.47 -4.91 121.20 120.46 1j2e s ILE 236 Ca 0.15 0.87 0.05 0.00 -0.51 0.00 0.00 60.65 61.21 1j2e s ILE 236 Cb -0.11 -3.75 -0.01 0.00 0.15 0.00 0.00 42.46 38.73 1j2e s ILE 236 CO 0.04 0.49 -0.17 -1.61 -2.11 0.00 0.00 174.94 171.58 1j2e s GLU 237 N -0.44 1.35 -0.06 3.50 2.02 -1.26 -1.99 118.70 121.83 1j2e s GLU 237 Ca 0.24 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 1j2e s GLU 237 Cb -0.16 -1.31 0.10 0.00 0.10 0.00 0.00 34.13 32.85 1j2e s GLU 237 CO 0.12 0.36 0.82 1.52 0.02 0.00 0.00 175.26 178.10 1j2e s TYR 238 N -0.41 -0.49 0.49 1.61 -0.85 -0.94 -5.00 117.35 111.77 1j2e s TYR 238 Ca 0.06 0.72 -0.18 0.00 -0.52 0.00 0.00 57.07 57.15 1j2e s TYR 238 Cb -0.06 0.46 -0.09 0.00 0.38 0.00 0.00 41.96 42.65 1j2e s TYR 238 CO -0.01 -0.53 0.99 -1.12 -1.52 0.00 0.00 175.55 173.36 1j2e s SER 239 N -1.53 6.62 -0.09 -0.18 0.01 -1.26 -0.67 113.70 116.59 1j2e s SER 239 Ca -0.04 1.67 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 1j2e s SER 239 Cb -0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1j2e s SER 239 CO 0.02 -0.59 0.01 0.12 0.41 0.00 0.00 173.24 173.20 1j2e s PHE 240 N -2.39 0.70 0.02 2.43 5.36 0.41 -4.67 117.98 119.84 1j2e s PHE 240 Ca 0.61 -0.25 0.11 0.00 -0.96 0.00 0.00 56.93 56.44 1j2e s PHE 240 Cb -0.11 -0.83 -0.18 0.00 -0.34 0.00 0.00 43.02 41.57 1j2e s PHE 240 CO 0.25 -0.37 1.07 1.88 -1.46 0.00 0.00 175.22 176.59 1j2e h TYR 241 N 8.32 0.00 -1.69 10.12 0.05 -1.95 -0.28 116.97 131.55 1j2e h TYR 241 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1j2e h TYR 241 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1j2e h TYR 241 CO 0.45 0.90 0.00 0.45 -1.05 0.00 0.00 178.16 178.91 1j2e n SER 242 N -3.20 -5.06 -4.67 3.88 2.88 -1.26 -4.70 113.62 101.49 1j2e n SER 242 Ca -0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.12 1j2e n SER 242 Cb 0.94 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.48 1j2e n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j2e n ASP 243 N -2.74 1.25 -0.21 -3.46 8.00 -1.26 -4.84 116.55 113.29 1j2e n ASP 243 Ca 0.00 0.73 0.31 0.00 0.71 0.00 0.00 54.79 56.54 1j2e n ASP 243 Cb 0.00 -1.48 0.70 0.00 -0.02 0.00 0.00 41.12 40.32 1j2e n ASP 243 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1j2e h GLU 244 N 0.03 0.00 0.00 -1.24 4.81 -2.05 0.22 114.58 116.35 1j2e h GLU 244 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1j2e h GLU 244 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1j2e h GLU 244 CO 0.50 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.65 1j2e n SER 245 N -3.87 0.00 -4.60 1.04 3.41 -1.26 -4.64 113.62 103.69 1j2e n SER 245 Ca 0.21 0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 58.89 1j2e n SER 245 Cb 1.17 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 1j2e n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1j2e s LEU 246 N -3.00 3.85 0.06 1.04 2.96 0.06 -4.92 118.68 118.74 1j2e s LEU 246 Ca 0.10 0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 54.32 1j2e s LEU 246 Cb 0.13 -3.41 -0.16 0.00 0.50 0.00 0.00 46.19 43.24 1j2e s LEU 246 CO 0.37 -1.04 1.62 -0.61 -1.32 0.00 0.00 176.35 175.36 1j2e h GLN 247 N 8.79 -0.04 -5.14 1.98 4.15 -1.88 -3.42 115.11 119.54 1j2e h GLN 247 Ca -0.23 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.55 1j2e h GLN 247 Cb 1.07 0.01 -0.23 0.00 0.21 0.00 0.00 27.48 28.53 1j2e h GLN 247 CO 1.05 0.09 -0.67 0.71 -1.93 0.00 0.00 178.83 178.08 1j2e s TYR 248 N -5.71 3.02 0.72 3.99 1.51 -1.26 -5.09 117.35 114.53 1j2e s TYR 248 Ca -0.14 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 1j2e s TYR 248 Cb 0.05 -2.06 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1j2e s TYR 248 CO 0.66 -0.24 1.22 -1.25 -1.11 0.00 0.00 175.55 174.83 1j2e s PRO 249 N 0.94 2.16 0.14 -1.71 0.04 -1.26 -4.99 135.00 130.31 1j2e s PRO 249 Ca 0.01 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1j2e s PRO 249 Cb -0.14 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1j2e s PRO 249 CO 0.02 -1.83 0.42 0.15 0.04 0.00 0.00 177.00 175.79 1j2e s LYS 250 N -3.84 3.70 -0.40 4.56 1.02 -0.12 -4.90 119.74 119.76 1j2e s LYS 250 Ca 0.76 0.07 -0.13 0.00 0.02 0.00 0.00 55.97 56.69 1j2e s LYS 250 Cb -0.30 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1j2e s LYS 250 CO 0.45 0.46 0.27 0.99 -0.92 0.00 0.00 175.35 176.60 1j2e s THR 251 N -1.61 4.85 -0.08 2.17 2.01 -1.26 -0.44 115.64 121.27 1j2e s THR 251 Ca 0.40 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1j2e s THR 251 Cb -0.12 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1j2e s THR 251 CO 0.22 -0.33 0.97 -0.69 -0.69 0.00 0.00 174.62 174.10 1j2e s VAL 252 N 1.59 4.83 -0.13 3.82 1.01 0.15 -4.89 120.40 126.78 1j2e s VAL 252 Ca 0.03 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1j2e s VAL 252 Cb -0.20 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1j2e s VAL 252 CO 0.07 0.06 -0.18 -0.13 0.00 0.00 0.00 175.10 174.93 1j2e s ARG 253 N 1.69 2.53 -0.05 2.72 0.52 -1.26 -2.20 118.95 122.89 1j2e s ARG 253 Ca 0.48 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 1j2e s ARG 253 Cb -0.19 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1j2e s ARG 253 CO 0.20 -0.07 -0.09 0.08 0.02 0.00 0.00 175.30 175.44 1j2e s VAL 254 N 0.98 0.90 -0.12 3.52 1.01 -0.84 -4.97 120.40 120.88 1j2e s VAL 254 Ca -0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1j2e s VAL 254 Cb -0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1j2e s VAL 254 CO -0.03 0.30 1.68 -2.84 0.00 0.00 0.00 175.10 174.21 1j2e s PRO 255 N 0.62 3.99 -0.21 2.72 0.02 -1.26 -1.37 135.00 139.51 1j2e s PRO 255 Ca -0.11 2.02 -0.04 0.00 0.02 0.00 0.00 61.00 62.89 1j2e s PRO 255 Cb -0.14 -4.03 0.10 0.00 0.02 0.00 0.00 34.50 30.45 1j2e s PRO 255 CO 0.02 -1.07 0.26 -0.47 -0.33 0.00 0.00 177.00 175.41 1j2e s TYR 256 N 4.69 -0.42 -0.40 6.54 6.14 -0.77 -4.46 117.35 128.67 1j2e s TYR 256 Ca 0.75 0.44 -0.26 0.00 0.64 0.00 0.00 57.07 58.64 1j2e s TYR 256 Cb -0.31 -0.24 0.02 0.00 0.42 0.00 0.00 41.96 41.85 1j2e s TYR 256 CO 0.30 -0.61 0.92 -1.25 0.64 0.00 0.00 175.55 175.55 1j2e s PRO 257 N 2.39 3.73 0.85 4.97 0.04 -1.26 -4.59 135.00 141.13 1j2e s PRO 257 Ca 0.08 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 1j2e s PRO 257 Cb -0.15 -3.85 0.11 0.00 0.04 0.00 0.00 34.50 30.65 1j2e s PRO 257 CO -0.13 -1.04 1.19 0.15 0.04 0.00 0.00 177.00 177.22 1j2e s LYS 258 N 3.56 1.60 -0.35 4.56 1.02 -1.26 -0.45 119.74 128.41 1j2e s LYS 258 Ca 0.37 0.06 -0.41 0.00 0.02 0.00 0.00 55.97 56.01 1j2e s LYS 258 Cb -0.11 -1.91 -0.16 0.00 -0.52 0.00 0.00 37.83 35.12 1j2e s LYS 258 CO 0.21 -1.84 1.83 0.00 -0.92 0.00 0.00 175.35 174.64 1j2e n ALA 259 N -3.47 -0.14 -0.86 5.17 0.00 0.15 -0.69 120.51 120.67 1j2e n ALA 259 Ca 0.09 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1j2e n ALA 259 Cb 0.60 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1j2e n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j2e n GLY 260 N 4.88 0.91 3.96 0.00 0.00 -1.26 -4.83 105.19 108.85 1j2e n GLY 260 Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 1j2e n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2e s ALA 261 N -3.65 2.84 0.09 4.61 0.00 0.13 -5.00 121.76 120.78 1j2e s ALA 261 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 51.96 50.23 1j2e s ALA 261 Cb 0.00 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1j2e s ALA 261 CO 0.00 -2.04 1.41 0.08 0.00 0.00 0.00 175.76 175.21 1j2e s VAL 262 N -3.59 3.37 0.37 0.00 1.01 -1.26 -4.88 120.40 115.41 1j2e s VAL 262 Ca 0.71 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1j2e s VAL 262 Cb -0.04 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1j2e s VAL 262 CO 0.49 0.05 0.58 0.20 0.00 0.00 0.00 175.10 176.42 1j2e s ASN 263 N 1.35 6.21 0.48 3.32 0.02 -1.26 -4.56 114.94 120.51 1j2e s ASN 263 Ca 0.65 0.43 -0.20 0.00 -1.02 0.00 0.00 52.86 52.72 1j2e s ASN 263 Cb -0.36 -1.94 -0.09 0.00 0.02 0.00 0.00 41.25 38.88 1j2e s ASN 263 CO 0.30 -0.38 1.03 -2.16 0.02 0.00 0.00 177.10 175.91 1j2e s PRO 264 N -4.37 3.85 0.29 -0.60 0.04 -1.26 -4.85 135.00 128.10 1j2e s PRO 264 Ca 0.42 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.81 1j2e s PRO 264 Cb -0.10 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1j2e s PRO 264 CO 0.37 -0.38 0.44 0.95 0.04 0.00 0.00 177.00 178.42 1j2e s THR 265 N -2.02 4.98 0.08 1.26 -4.23 -0.82 -4.90 115.64 109.98 1j2e s THR 265 Ca 0.66 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1j2e s THR 265 Cb -0.15 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 1j2e s THR 265 CO 0.19 -0.37 -0.06 0.54 -0.54 0.00 0.00 174.62 174.39 1j2e s VAL 266 N -2.13 0.57 0.01 2.29 0.11 -1.26 -1.55 120.40 118.44 1j2e s VAL 266 Ca 0.38 -1.77 -0.05 0.00 -2.93 0.00 0.00 61.98 57.60 1j2e s VAL 266 Cb -0.09 -1.48 -0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1j2e s VAL 266 CO 0.32 -0.83 0.09 -0.54 -3.33 0.00 0.00 175.10 170.81 1j2e s LYS 267 N -3.50 0.44 0.00 1.54 1.02 -0.27 -4.95 119.74 114.03 1j2e s LYS 267 Ca 0.07 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 55.67 1j2e s LYS 267 Cb 0.03 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1j2e s LYS 267 CO -0.05 -0.10 -0.24 0.12 -0.92 0.00 0.00 175.35 174.16 1j2e s PHE 268 N -1.47 2.38 0.16 3.18 5.36 -1.26 -0.24 117.98 126.09 1j2e s PHE 268 Ca -0.15 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.40 1j2e s PHE 268 Cb -0.08 -1.48 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 1j2e s PHE 268 CO 0.01 0.05 0.13 -0.06 -1.46 0.00 0.00 175.22 173.89 1j2e s PHE 269 N -0.70 0.83 -0.12 10.12 0.08 -0.51 -2.05 117.98 125.62 1j2e s PHE 269 Ca 0.11 -1.17 -0.06 0.00 0.12 0.00 0.00 56.93 55.93 1j2e s PHE 269 Cb -0.10 -0.40 0.05 0.00 -0.57 0.00 0.00 43.02 42.00 1j2e s PHE 269 CO 0.01 -0.60 0.28 0.08 -0.10 0.00 0.00 175.22 174.89 1j2e s VAL 270 N -4.06 -0.03 0.05 -0.44 1.01 0.18 -1.17 120.40 115.93 1j2e s VAL 270 Ca 0.26 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1j2e s VAL 270 Cb 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1j2e s VAL 270 CO 0.04 0.05 -0.26 0.54 0.00 0.00 0.00 175.10 175.48 1j2e s VAL 271 N 1.22 2.20 -0.85 2.92 0.11 0.14 -1.28 120.40 124.86 1j2e s VAL 271 Ca -0.09 -1.38 -0.22 0.00 -2.93 0.00 0.00 61.98 57.36 1j2e s VAL 271 Cb -0.09 -1.87 0.08 0.00 -1.53 0.00 0.00 36.38 32.97 1j2e s VAL 271 CO -0.09 0.36 1.18 0.21 -3.33 0.00 0.00 175.10 173.43 1j2e s ASN 272 N -1.28 6.41 0.64 3.54 3.84 -1.26 -0.21 114.94 126.61 1j2e s ASN 272 Ca 0.12 -1.39 0.36 0.00 0.21 0.00 0.00 52.86 52.16 1j2e s ASN 272 Cb -0.10 -2.47 2.02 0.00 -0.55 0.00 0.00 41.25 40.16 1j2e s ASN 272 CO 0.02 -1.38 2.22 0.71 -2.79 0.00 0.00 177.10 175.88 1j2e h THR 273 N 6.13 0.20 0.00 -5.21 1.35 -0.96 -1.72 112.91 112.70 1j2e h THR 273 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1j2e h THR 273 Cb 1.04 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1j2e h THR 273 CO 1.23 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.97 1j2e n ASP 274 N -3.35 0.48 0.00 5.36 10.43 -1.21 -2.87 116.55 125.39 1j2e n ASP 274 Ca -0.02 0.61 0.11 0.00 2.57 0.00 0.00 54.79 58.06 1j2e n ASP 274 Cb 0.18 -0.71 -0.01 0.00 1.84 0.00 0.00 41.12 42.42 1j2e n ASP 274 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1j2e n SER 275 N -2.01 0.79 -0.12 -2.24 3.41 -0.65 -4.59 113.62 108.21 1j2e n SER 275 Ca 0.03 -0.69 -0.08 0.00 -0.26 0.00 0.00 58.87 57.87 1j2e n SER 275 Cb 0.24 0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 64.97 1j2e n SER 275 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1j2e h LEU 276 N 0.00 -1.19 -2.04 1.04 3.38 -1.65 0.38 115.31 115.22 1j2e h LEU 276 Ca 0.00 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1j2e h LEU 276 Cb 0.54 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1j2e h LEU 276 CO 0.00 -0.34 -0.02 0.77 0.09 0.00 0.00 178.44 178.94 1j2e h SER 277 N -0.28 0.00 0.28 -0.43 4.64 -1.82 -2.62 113.55 113.32 1j2e h SER 277 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1j2e h SER 277 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1j2e h SER 277 CO -0.55 0.02 -1.44 -0.24 -0.87 0.00 0.00 176.83 173.76 1j2e n SER 278 N -3.18 0.44 -4.49 4.97 2.88 -0.41 -4.95 113.62 108.88 1j2e n SER 278 Ca -0.01 -0.14 -0.26 0.00 -1.33 0.00 0.00 58.87 57.13 1j2e n SER 278 Cb 0.22 1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 64.86 1j2e n SER 278 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1j2e s VAL 279 N -3.34 2.68 -0.04 2.46 1.01 0.12 -5.05 120.40 118.24 1j2e s VAL 279 Ca -0.01 -2.06 -0.24 0.00 0.00 0.00 0.00 61.98 59.67 1j2e s VAL 279 Cb 0.14 -2.35 -0.23 0.00 0.00 0.00 0.00 36.38 33.94 1j2e s VAL 279 CO 0.86 -0.23 1.06 0.74 0.00 0.00 0.00 175.10 177.53 1j2e h THR 280 N 2.69 1.52 -2.34 3.92 2.02 -1.88 -3.42 112.91 115.41 1j2e h THR 280 Ca -0.44 -1.91 -0.54 0.00 0.77 0.00 0.00 66.41 64.29 1j2e h THR 280 Cb 1.23 2.68 -0.37 0.00 -1.74 0.00 0.00 68.15 69.95 1j2e h THR 280 CO 0.54 0.53 -0.87 0.21 0.37 0.00 0.00 175.52 176.30 1j2e s ASN 281 N -6.35 1.92 0.03 4.18 2.47 -1.26 -5.05 114.94 110.88 1j2e s ASN 281 Ca -0.15 -2.44 -0.37 0.00 0.42 0.00 0.00 52.86 50.32 1j2e s ASN 281 Cb 0.01 -0.18 -0.16 0.00 -1.45 0.00 0.00 41.25 39.47 1j2e s ASN 281 CO 0.75 -0.24 1.49 0.00 -3.72 0.00 0.00 177.10 175.38 1j2e n ALA 282 N 3.54 -0.28 -2.63 1.71 0.00 -1.26 -4.91 120.51 116.69 1j2e n ALA 282 Ca 0.19 0.47 -0.40 0.00 0.00 0.00 0.00 53.44 53.70 1j2e n ALA 282 Cb 0.43 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 1j2e n ALA 282 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j2e s THR 283 N 1.32 4.94 -0.23 0.00 -4.23 -1.26 -5.02 115.64 111.16 1j2e s THR 283 Ca 0.86 1.56 -0.26 0.00 -1.18 0.00 0.00 61.69 62.68 1j2e s THR 283 Cb -0.90 -4.09 -0.00 0.00 1.34 0.00 0.00 72.50 68.84 1j2e s THR 283 CO 0.49 0.27 0.88 -0.44 -0.54 0.00 0.00 174.62 175.28 1j2e s SER 284 N 0.57 6.92 -0.11 3.99 0.01 -1.26 -4.66 113.70 119.17 1j2e s SER 284 Ca 0.39 1.14 -0.19 0.00 1.31 0.00 0.00 55.95 58.61 1j2e s SER 284 Cb -0.19 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1j2e s SER 284 CO 0.21 -0.53 0.50 -0.63 0.41 0.00 0.00 173.24 173.19 1j2e s ILE 285 N 2.82 5.16 0.01 1.44 -1.09 -0.40 -4.82 121.20 124.31 1j2e s ILE 285 Ca 0.38 1.00 -0.13 0.00 -2.23 0.00 0.00 60.65 59.66 1j2e s ILE 285 Cb -0.15 -3.84 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 1j2e s ILE 285 CO 0.08 0.33 0.39 -1.58 -1.23 0.00 0.00 174.94 172.94 1j2e s GLN 286 N 0.55 3.87 -0.40 2.79 0.74 -1.26 -0.65 119.66 125.30 1j2e s GLN 286 Ca 0.27 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 56.02 1j2e s GLN 286 Cb -0.15 -3.18 0.11 0.00 1.10 0.00 0.00 33.01 30.89 1j2e s GLN 286 CO 0.11 0.67 0.17 0.42 -0.55 0.00 0.00 175.29 176.12 1j2e s ILE 287 N -1.14 3.03 0.61 -2.34 1.01 -0.87 -4.86 121.20 116.64 1j2e s ILE 287 Ca 0.25 -2.17 -0.18 0.00 0.00 0.00 0.00 60.65 58.55 1j2e s ILE 287 Cb -0.16 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1j2e s ILE 287 CO 0.14 -0.67 1.16 0.42 0.00 0.00 0.00 174.94 175.98 1j2e s THR 288 N 1.03 2.89 0.82 2.92 -4.23 -1.26 -4.40 115.64 113.41 1j2e s THR 288 Ca 0.09 0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 1j2e s THR 288 Cb -0.22 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.58 1j2e s THR 288 CO -0.05 -0.17 1.10 0.00 -0.54 0.00 0.00 174.62 174.96 1j2e s ALA 289 N -1.86 1.96 0.45 3.99 0.00 -1.26 -4.99 121.76 120.05 1j2e s ALA 289 Ca 0.73 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 1j2e s ALA 289 Cb -0.26 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1j2e s ALA 289 CO 0.34 -2.05 1.13 -1.25 0.00 0.00 0.00 175.76 173.94 1j2e s PRO 290 N -4.88 3.84 0.37 0.00 0.04 -1.26 -4.76 135.00 128.35 1j2e s PRO 290 Ca 0.62 1.68 0.16 0.00 0.04 0.00 0.00 61.00 63.50 1j2e s PRO 290 Cb -0.18 -2.40 1.07 0.00 0.04 0.00 0.00 34.50 33.03 1j2e s PRO 290 CO 0.57 -0.46 1.72 0.00 0.04 0.00 0.00 177.00 178.87 1j2e h ALA 291 N 2.09 2.10 0.00 8.56 0.00 -1.97 0.60 119.26 130.64 1j2e h ALA 291 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1j2e h ALA 291 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1j2e h ALA 291 CO 0.60 -0.60 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1j2e n SER 292 N -4.79 0.19 -0.10 0.00 3.41 -1.26 -1.93 113.62 109.14 1j2e n SER 292 Ca 0.28 0.58 -0.15 0.00 -0.26 0.00 0.00 58.87 59.33 1j2e n SER 292 Cb 0.92 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 1j2e n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1j2e n MET 293 N -1.75 0.50 0.15 4.33 2.00 0.20 -4.49 117.12 118.06 1j2e n MET 293 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 57.70 57.93 1j2e n MET 293 Cb 0.06 -1.40 0.55 0.00 0.00 0.00 0.00 33.22 32.43 1j2e n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1j2e n LEU 294 N -3.15 0.55 0.18 4.03 4.77 -0.59 -1.99 117.00 120.81 1j2e n LEU 294 Ca -0.36 0.74 0.14 0.00 -0.03 0.00 0.00 56.01 56.49 1j2e n LEU 294 Cb 0.88 -0.79 0.54 0.00 -2.33 0.00 0.00 43.42 41.72 1j2e n LEU 294 CO 0.19 -0.88 0.90 0.16 -1.33 0.00 0.00 177.39 176.43 1j2e h ILE 295 N 0.00 0.00 -1.74 -0.08 3.07 -1.68 -3.47 117.51 113.61 1j2e h ILE 295 Ca 0.00 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1j2e h ILE 295 Cb 0.05 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1j2e h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 1j2e n GLY 296 N 0.13 2.39 3.77 0.16 0.00 -0.84 -5.14 105.19 105.66 1j2e n GLY 296 Ca 0.02 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1j2e n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j2e s ASP 297 N -0.23 6.20 0.25 1.61 1.01 -1.26 -4.93 116.67 119.31 1j2e s ASP 297 Ca 0.00 2.46 -0.05 0.00 0.71 0.00 0.00 52.55 55.67 1j2e s ASP 297 Cb 0.00 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1j2e s ASP 297 CO 0.00 -0.91 0.43 0.00 0.21 0.00 0.00 175.17 174.90 1j2e n HIS 298 N -0.23 -1.51 -3.94 4.23 1.44 -1.26 -1.49 115.22 112.46 1j2e n HIS 298 Ca 0.06 -1.42 -0.10 0.00 -2.01 0.00 0.00 57.72 54.25 1j2e n HIS 298 Cb 0.46 0.49 -0.11 0.00 0.12 0.00 0.00 29.99 30.96 1j2e n HIS 298 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1j2e s TYR 299 N -4.02 0.17 -0.27 -1.40 2.02 0.27 -4.77 117.35 109.36 1j2e s TYR 299 Ca 0.15 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.32 1j2e s TYR 299 Cb -0.02 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.38 1j2e s TYR 299 CO 0.11 -0.22 0.45 -1.17 -1.57 0.00 0.00 175.55 173.15 1j2e s LEU 300 N -1.39 4.07 0.00 -1.29 2.96 -1.26 -0.40 118.68 121.37 1j2e s LEU 300 Ca -0.15 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1j2e s LEU 300 Cb -0.09 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.07 1j2e s LEU 300 CO -0.00 -0.26 0.60 0.00 -1.32 0.00 0.00 176.35 175.37 1j2e s ASP 302 N -0.24 -0.56 -0.09 0.00 2.15 -1.16 -4.89 116.67 111.87 1j2e s ASP 302 Ca 0.03 0.93 0.01 0.00 0.43 0.00 0.00 52.55 53.95 1j2e s ASP 302 Cb 0.02 1.17 0.02 0.00 -0.30 0.00 0.00 42.92 43.83 1j2e s ASP 302 CO 0.03 -0.15 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.07 1j2e s VAL 303 N 1.15 1.19 -0.14 1.11 1.01 -1.26 -1.66 120.40 121.81 1j2e s VAL 303 Ca -0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1j2e s VAL 303 Cb -0.04 -1.13 0.06 0.00 0.00 0.00 0.00 36.38 35.27 1j2e s VAL 303 CO -0.14 0.38 0.30 -0.89 0.00 0.00 0.00 175.10 174.76 1j2e s THR 304 N 1.13 -0.31 0.20 3.92 2.01 -0.65 -5.02 115.64 116.92 1j2e s THR 304 Ca -0.05 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 1j2e s THR 304 Cb -0.14 -0.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 1j2e s THR 304 CO -0.02 0.09 0.91 0.26 -0.69 0.00 0.00 174.62 175.16 1j2e s TRP 305 N 2.02 3.94 -0.27 4.92 0.52 -1.26 0.44 118.94 129.25 1j2e s TRP 305 Ca -0.03 1.83 -0.08 0.00 0.02 0.00 0.00 56.10 57.84 1j2e s TRP 305 Cb -0.11 -2.95 -0.14 0.00 -1.15 0.00 0.00 33.47 29.12 1j2e s TRP 305 CO -0.10 0.42 -0.30 0.00 0.02 0.00 0.00 176.95 176.99 1j2e n ALA 306 N 1.77 1.32 -3.05 0.98 0.00 0.88 -4.89 120.51 117.52 1j2e n ALA 306 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1j2e n ALA 306 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1j2e n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j2e n THR 307 N -3.85 0.00 0.41 0.00 -2.24 -0.85 -4.53 114.28 103.21 1j2e n THR 307 Ca -0.51 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1j2e n THR 307 Cb 0.92 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.55 1j2e n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j2e h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.29 115.11 110.14 1j2e h GLN 308 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1j2e h GLN 308 Cb 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.31 1j2e h GLN 308 CO 0.00 0.00 -0.61 0.39 -0.95 0.00 0.00 178.83 177.66 1j2e n GLU 309 N -2.64 0.31 -3.70 1.46 1.02 -1.26 -4.86 120.64 110.97 1j2e n GLU 309 Ca 0.04 -1.73 -0.17 0.00 -0.02 0.00 0.00 57.16 55.27 1j2e n GLU 309 Cb 0.40 -0.57 -0.16 0.00 -0.02 0.00 0.00 31.44 31.08 1j2e n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1j2e s ARG 310 N -0.66 -0.01 0.04 3.49 3.52 -1.24 -0.93 118.95 123.15 1j2e s ARG 310 Ca 0.18 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 56.24 1j2e s ARG 310 Cb 0.19 -0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1j2e s ARG 310 CO -0.06 -0.27 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.49 1j2e s ILE 311 N 1.84 1.41 -0.05 4.11 2.07 -0.09 -0.08 121.20 130.41 1j2e s ILE 311 Ca -0.00 -1.07 0.04 0.00 -1.41 0.00 0.00 60.65 58.21 1j2e s ILE 311 Cb -0.12 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.21 1j2e s ILE 311 CO -0.04 0.14 -0.17 -0.94 -1.91 0.00 0.00 174.94 172.02 1j2e s SER 312 N -1.08 3.79 -0.02 4.50 1.04 0.17 -0.21 113.70 121.89 1j2e s SER 312 Ca 0.05 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.26 1j2e s SER 312 Cb -0.08 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.23 1j2e s SER 312 CO 0.01 0.32 -0.17 -0.76 0.98 0.00 0.00 173.24 173.63 1j2e s LEU 313 N -0.60 2.01 -0.16 2.42 1.43 0.14 -1.63 118.68 122.28 1j2e s LEU 313 Ca 0.09 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1j2e s LEU 313 Cb -0.11 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.26 1j2e s LEU 313 CO 0.01 0.20 -0.21 -1.10 0.23 0.00 0.00 176.35 175.47 1j2e s GLN 314 N -0.32 3.01 0.09 1.70 -0.21 -0.66 0.97 119.66 124.23 1j2e s GLN 314 Ca 0.05 -0.84 0.05 0.00 0.02 0.00 0.00 55.36 54.64 1j2e s GLN 314 Cb -0.07 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1j2e s GLN 314 CO -0.00 -0.11 -0.03 -1.58 -2.12 0.00 0.00 175.29 171.45 1j2e s TRP 315 N 1.04 2.92 -0.05 0.91 0.52 0.05 -1.33 118.94 122.99 1j2e s TRP 315 Ca -0.01 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.06 1j2e s TRP 315 Cb -0.14 -1.52 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1j2e s TRP 315 CO -0.07 0.46 -0.06 -1.17 0.02 0.00 0.00 176.95 176.13 1j2e s LEU 316 N -2.20 1.34 0.52 2.99 2.96 0.47 -1.11 118.68 123.65 1j2e s LEU 316 Ca 0.24 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.78 1j2e s LEU 316 Cb -0.11 -0.53 -0.06 0.00 0.50 0.00 0.00 46.19 45.98 1j2e s LEU 316 CO 0.16 -0.05 1.15 -0.13 -1.32 0.00 0.00 176.35 176.16 1j2e s ARG 317 N 0.96 3.47 0.48 1.98 0.52 -1.02 0.97 118.95 126.31 1j2e s ARG 317 Ca -0.10 1.68 0.29 0.00 -0.52 0.00 0.00 55.73 57.08 1j2e s ARG 317 Cb -0.14 -2.14 1.37 0.00 0.52 0.00 0.00 34.95 34.56 1j2e s ARG 317 CO 0.00 -0.77 1.78 -0.09 0.02 0.00 0.00 175.30 176.24 1j2e h ARG 318 N 1.47 0.16 -4.68 3.54 2.43 -1.56 -1.77 114.38 113.96 1j2e h ARG 318 Ca -0.50 -0.01 -0.73 0.00 -0.81 0.00 0.00 59.98 57.93 1j2e h ARG 318 Cb 1.26 -0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 30.58 1j2e h ARG 318 CO 0.58 0.10 0.96 0.42 -1.51 0.00 0.00 179.97 180.52 1j2e s ILE 319 N -5.18 5.05 0.00 1.20 -1.09 -1.26 -4.79 121.20 115.12 1j2e s ILE 319 Ca -0.07 -2.26 0.00 0.00 -2.23 0.00 0.00 60.65 56.09 1j2e s ILE 319 Cb 0.24 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1j2e s ILE 319 CO 0.80 -1.49 0.00 0.00 -1.23 0.00 0.00 174.94 173.03 1j2e n GLN 320 N 5.61 0.00 -0.10 2.79 6.02 -0.67 -3.68 117.38 127.35 1j2e n GLN 320 Ca 0.28 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.37 1j2e n GLN 320 Cb 0.45 -1.16 0.14 0.00 1.02 0.00 0.00 30.24 30.69 1j2e n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1j2e n ASN 321 N 1.65 2.26 -3.47 1.08 6.94 -1.26 -1.50 115.26 120.96 1j2e n ASN 321 Ca 0.00 -3.07 -0.03 0.00 -0.02 0.00 0.00 54.58 51.46 1j2e n ASN 321 Cb 0.00 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 36.94 1j2e n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1j2e s TYR 322 N -2.79 -1.18 0.13 -2.53 6.14 -1.24 -2.06 117.35 113.82 1j2e s TYR 322 Ca 0.31 1.71 0.07 0.00 0.64 0.00 0.00 57.07 59.80 1j2e s TYR 322 Cb 0.27 0.48 -0.04 0.00 0.42 0.00 0.00 41.96 43.10 1j2e s TYR 322 CO 0.03 -0.68 -0.16 -1.54 0.64 0.00 0.00 175.55 173.84 1j2e s SER 323 N 2.75 2.22 -0.01 4.32 1.04 -0.94 -2.43 113.70 120.64 1j2e s SER 323 Ca 0.05 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.70 1j2e s SER 323 Cb -0.13 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1j2e s SER 323 CO -0.17 -0.10 -0.12 -0.69 0.98 0.00 0.00 173.24 173.14 1j2e s VAL 324 N -2.05 0.96 -0.15 5.02 1.01 -0.27 -1.60 120.40 123.32 1j2e s VAL 324 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1j2e s VAL 324 Cb -0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1j2e s VAL 324 CO 0.04 0.28 -0.06 -0.32 0.00 0.00 0.00 175.10 175.04 1j2e s MET 325 N -0.19 3.59 -0.09 2.72 1.75 0.13 -0.77 119.30 126.45 1j2e s MET 325 Ca 0.03 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 1j2e s MET 325 Cb -0.06 -2.84 -0.02 0.00 2.84 0.00 0.00 34.83 34.75 1j2e s MET 325 CO -0.00 0.24 -0.13 -0.51 -0.65 0.00 0.00 175.02 173.97 1j2e s ASP 326 N 0.34 4.05 -0.32 1.11 1.01 0.27 -1.61 116.67 121.51 1j2e s ASP 326 Ca -0.06 -0.25 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 1j2e s ASP 326 Cb -0.15 -1.24 0.06 0.00 1.01 0.00 0.00 42.92 42.60 1j2e s ASP 326 CO 0.04 0.26 0.05 -0.63 0.21 0.00 0.00 175.17 175.09 1j2e s ILE 327 N -0.19 3.15 -0.13 0.77 1.01 -1.26 0.23 121.20 124.78 1j2e s ILE 327 Ca 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 60.65 59.16 1j2e s ILE 327 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1j2e s ILE 327 CO 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 174.94 174.75 1j2e s ASP 329 N -0.17 4.67 -0.04 0.00 1.11 0.12 -0.92 116.67 121.44 1j2e s ASP 329 Ca 0.05 -0.10 -0.30 0.00 0.18 0.00 0.00 52.55 52.38 1j2e s ASP 329 Cb -0.13 -1.12 -0.03 0.00 1.07 0.00 0.00 42.92 42.71 1j2e s ASP 329 CO 0.02 0.31 1.17 -0.47 1.18 0.00 0.00 175.17 177.38 1j2e s TYR 330 N -0.95 3.27 -0.51 4.23 5.04 -0.11 -1.31 117.35 127.02 1j2e s TYR 330 Ca 0.16 1.28 -0.18 0.00 -2.44 0.00 0.00 57.07 55.89 1j2e s TYR 330 Cb -0.11 -3.39 0.07 0.00 0.35 0.00 0.00 41.96 38.88 1j2e s TYR 330 CO 0.06 -1.15 0.58 0.34 -1.34 0.00 0.00 175.55 174.04 1j2e s ASP 331 N 1.37 6.20 0.51 4.32 -1.08 0.12 -4.94 116.67 123.17 1j2e s ASP 331 Ca 0.55 -1.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.63 1j2e s ASP 331 Cb -0.24 -2.27 1.24 0.00 -1.46 0.00 0.00 42.92 40.19 1j2e s ASP 331 CO 0.23 -0.87 2.11 -0.08 0.52 0.00 0.00 175.17 177.08 1j2e h GLU 332 N 8.96 0.07 -0.00 4.34 4.81 -1.94 0.41 114.58 131.23 1j2e h GLU 332 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1j2e h GLU 332 Cb 1.10 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1j2e h GLU 332 CO 0.97 0.05 -0.08 -1.13 -0.73 0.00 0.00 179.01 178.08 1j2e n SER 333 N -4.51 0.58 0.00 1.04 3.41 -1.26 -3.72 113.62 109.16 1j2e n SER 333 Ca -0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1j2e n SER 333 Cb 0.17 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1j2e n SER 333 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1j2e n SER 334 N -0.78 0.14 -1.78 4.04 3.41 -0.87 -4.98 113.62 112.80 1j2e n SER 334 Ca 0.16 -0.46 -0.19 0.00 -0.26 0.00 0.00 58.87 58.13 1j2e n SER 334 Cb 0.27 0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 1j2e n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2e n GLY 335 N 0.36 1.24 3.82 5.00 0.00 0.14 -4.94 105.19 110.81 1j2e n GLY 335 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1j2e n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j2e s ARG 336 N -3.99 2.44 -0.18 1.61 0.52 -1.12 -4.92 118.95 113.31 1j2e s ARG 336 Ca 0.00 -1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 53.59 1j2e s ARG 336 Cb 0.00 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1j2e s ARG 336 CO 0.00 -0.12 -0.14 -1.58 0.02 0.00 0.00 175.30 173.47 1j2e s TRP 337 N -2.50 2.82 -0.01 -0.53 0.52 -1.26 0.14 118.94 118.12 1j2e s TRP 337 Ca 0.45 -1.19 0.06 0.00 0.02 0.00 0.00 56.10 55.43 1j2e s TRP 337 Cb -0.01 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1j2e s TRP 337 CO 0.26 -0.59 -0.17 -0.80 0.02 0.00 0.00 176.95 175.67 1j2e s ASN 338 N 1.09 3.84 -0.33 2.95 0.02 -0.43 -4.91 114.94 117.17 1j2e s ASN 338 Ca -0.00 -0.32 0.03 0.00 -1.02 0.00 0.00 52.86 51.55 1j2e s ASN 338 Cb -0.14 -0.70 0.10 0.00 0.02 0.00 0.00 41.25 40.52 1j2e s ASN 338 CO -0.04 0.30 0.04 0.00 0.02 0.00 0.00 177.10 177.42 1j2e s LEU 340 N 1.03 4.41 0.48 0.00 1.43 -1.26 -4.90 118.68 119.87 1j2e s LEU 340 Ca 0.09 2.53 0.15 0.00 -1.03 0.00 0.00 54.13 55.87 1j2e s LEU 340 Cb -0.19 -3.62 1.11 0.00 0.03 0.00 0.00 46.19 43.52 1j2e s LEU 340 CO -0.10 -0.58 2.06 0.58 0.23 0.00 0.00 176.35 178.53 1j2e h VAL 341 N 3.57 1.08 0.00 -1.59 2.07 -1.96 0.03 116.25 119.44 1j2e h VAL 341 Ca -0.46 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1j2e h VAL 341 Cb 1.22 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1j2e h VAL 341 CO 0.76 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.45 1j2e n ALA 342 N -2.52 1.15 0.32 1.67 0.00 -1.26 -1.01 120.51 118.85 1j2e n ALA 342 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1j2e n ALA 342 Cb 0.18 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.54 1j2e n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j2e n ARG 343 N -1.73 0.50 -2.51 0.00 1.74 -0.01 -4.24 116.66 110.41 1j2e n ARG 343 Ca 0.00 -1.12 -0.42 0.00 -0.77 0.00 0.00 57.85 55.54 1j2e n ARG 343 Cb 0.05 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1j2e n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j2e s GLN 344 N -0.76 4.37 -0.07 5.56 0.74 -0.18 -4.33 119.66 124.99 1j2e s GLN 344 Ca 0.11 1.61 0.03 0.00 0.05 0.00 0.00 55.36 57.16 1j2e s GLN 344 Cb 0.08 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 1j2e s GLN 344 CO 0.11 -0.41 -0.16 -1.01 -0.55 0.00 0.00 175.29 173.28 1j2e s HIS 345 N 2.12 2.68 -0.05 1.67 3.76 -0.63 -4.94 115.29 119.90 1j2e s HIS 345 Ca 0.54 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 55.09 1j2e s HIS 345 Cb -0.23 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 1j2e s HIS 345 CO 0.21 0.04 0.05 0.42 -0.85 0.00 0.00 174.74 174.62 1j2e s ILE 346 N -0.42 4.63 -0.31 0.60 1.01 -1.26 0.20 121.20 125.65 1j2e s ILE 346 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 1j2e s ILE 346 Cb -0.12 -3.03 0.12 0.00 0.01 0.00 0.00 42.46 39.43 1j2e s ILE 346 CO 0.02 0.49 0.18 -0.70 0.00 0.00 0.00 174.94 174.92 1j2e s GLU 347 N -1.29 0.31 0.09 2.79 2.12 -0.63 -5.01 118.70 117.09 1j2e s GLU 347 Ca 0.18 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1j2e s GLU 347 Cb -0.12 -1.14 0.01 0.00 0.26 0.00 0.00 34.13 33.14 1j2e s GLU 347 CO 0.08 -1.08 0.06 0.00 -0.54 0.00 0.00 175.26 173.77 1j2e n MET 348 N 4.89 1.43 -3.66 4.30 0.00 -1.26 -2.22 117.12 120.59 1j2e n MET 348 Ca -0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 57.70 57.02 1j2e n MET 348 Cb 0.41 0.08 -0.08 0.00 0.00 0.00 0.00 33.22 33.63 1j2e n MET 348 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1j2e s SER 349 N -1.51 -0.70 -0.01 3.17 0.15 -0.87 -4.92 113.70 109.01 1j2e s SER 349 Ca 0.04 1.26 0.19 0.00 0.70 0.00 0.00 55.95 58.14 1j2e s SER 349 Cb -0.00 1.22 -0.24 0.00 -1.71 0.00 0.00 66.02 65.28 1j2e s SER 349 CO 0.03 -0.22 0.68 0.35 1.20 0.00 0.00 173.24 175.28 1j2e n THR 350 N 3.36 0.00 0.50 6.45 -2.24 -1.26 -4.44 114.28 116.66 1j2e n THR 350 Ca -0.17 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1j2e n THR 350 Cb 0.57 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1j2e n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j2e n THR 351 N -1.70 0.00 -0.58 4.28 -2.24 -1.26 -5.08 114.28 107.70 1j2e n THR 351 Ca 0.01 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1j2e n THR 351 Cb 0.37 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1j2e n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j2e n GLY 352 N 1.04 1.86 2.30 3.38 0.00 -1.26 -4.79 105.19 107.72 1j2e n GLY 352 Ca 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1j2e n GLY 352 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1j2e n TRP 353 N 0.00 -2.95 -4.11 1.61 2.14 -1.26 -4.60 117.44 108.27 1j2e n TRP 353 Ca 0.00 -1.11 -0.35 0.00 2.07 0.00 0.00 57.50 58.11 1j2e n TRP 353 Cb 0.00 -0.40 -0.08 0.00 -0.81 0.00 0.00 31.31 30.02 1j2e n TRP 353 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1j2e s VAL 354 N -1.54 4.83 0.13 -1.67 1.01 -0.56 -4.72 120.40 117.88 1j2e s VAL 354 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1j2e s VAL 354 Cb -0.02 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1j2e s VAL 354 CO 0.25 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1j2e n GLY 355 N 2.51 -1.69 0.09 4.51 0.00 -1.26 -3.77 105.19 105.58 1j2e n GLY 355 Ca -0.18 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1j2e n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1j2e h ARG 356 N -0.46 -0.08 0.00 1.61 3.08 -1.95 -3.40 114.38 113.18 1j2e h ARG 356 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j2e h ARG 356 Cb 0.45 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1j2e h ARG 356 CO 0.01 0.44 -0.67 1.19 -1.07 0.00 0.00 179.97 179.87 1j2e n PHE 357 N -4.86 0.00 -3.55 3.04 3.72 -1.26 -4.90 117.46 109.65 1j2e n PHE 357 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.25 1j2e n PHE 357 Cb 0.28 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1j2e n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1j2e s ARG 358 N -1.41 0.58 0.27 -1.08 1.70 -1.25 -5.02 118.95 112.75 1j2e s ARG 358 Ca 0.00 -0.20 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 1j2e s ARG 358 Cb 0.00 0.27 -0.14 0.00 -0.57 0.00 0.00 34.95 34.51 1j2e s ARG 358 CO 0.00 -0.25 1.21 -2.30 -1.08 0.00 0.00 175.30 172.88 1j2e n PRO 359 N -0.13 1.71 -1.74 3.89 -0.02 -1.25 -4.33 135.00 133.12 1j2e n PRO 359 Ca -0.05 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 1j2e n PRO 359 Cb 0.60 -2.13 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1j2e n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1j2e s SER 360 N -0.17 5.16 0.22 2.55 1.04 -1.26 -4.94 113.70 116.30 1j2e s SER 360 Ca 0.63 1.94 -0.30 0.00 0.48 0.00 0.00 55.95 58.70 1j2e s SER 360 Cb -0.68 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 62.82 1j2e s SER 360 CO 0.56 -1.59 1.07 -1.83 0.98 0.00 0.00 173.24 172.43 1j2e s GLU 361 N -4.22 4.66 0.35 4.02 1.03 -1.26 -4.92 118.70 118.37 1j2e s GLU 361 Ca 0.65 1.70 -0.13 0.00 0.03 0.00 0.00 54.97 57.22 1j2e s GLU 361 Cb -0.19 -3.25 -0.08 0.00 -0.80 0.00 0.00 34.13 29.81 1j2e s GLU 361 CO 0.43 0.20 0.75 -1.25 -1.33 0.00 0.00 175.26 174.06 1j2e s PRO 362 N -0.86 3.92 -0.23 -4.83 0.04 -1.26 -4.65 135.00 127.13 1j2e s PRO 362 Ca 0.46 0.60 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1j2e s PRO 362 Cb -0.29 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 31.89 1j2e s PRO 362 CO 0.36 0.08 -0.09 -1.01 0.04 0.00 0.00 177.00 176.39 1j2e s HIS 363 N -2.13 2.64 0.21 0.56 3.76 0.28 -4.95 115.29 115.66 1j2e s HIS 363 Ca 0.53 -1.85 -0.10 0.00 -0.15 0.00 0.00 55.06 53.49 1j2e s HIS 363 Cb -0.10 -1.70 -0.07 0.00 1.11 0.00 0.00 32.58 31.82 1j2e s HIS 363 CO 0.23 -0.79 0.54 -0.06 -0.85 0.00 0.00 174.74 173.80 1j2e s PHE 364 N 1.32 3.46 0.66 1.40 0.40 -1.26 0.84 117.98 124.79 1j2e s PHE 364 Ca -0.05 0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 57.07 1j2e s PHE 364 Cb -0.18 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1j2e s PHE 364 CO -0.07 0.30 1.05 0.95 0.70 0.00 0.00 175.22 178.15 1j2e s THR 365 N -1.75 4.36 0.38 0.64 -4.23 -0.77 -4.87 115.64 109.40 1j2e s THR 365 Ca 0.45 0.77 0.19 0.00 -1.18 0.00 0.00 61.69 61.93 1j2e s THR 365 Cb -0.12 -3.63 0.38 0.00 1.34 0.00 0.00 72.50 70.47 1j2e s THR 365 CO 0.21 -1.00 1.67 0.25 -0.54 0.00 0.00 174.62 175.21 1j2e h LEU 366 N -0.51 0.43 0.00 4.79 5.85 -1.92 0.38 115.31 124.34 1j2e h LEU 366 Ca -0.44 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1j2e h LEU 366 Cb 1.20 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1j2e h LEU 366 CO 0.59 -0.12 0.00 -0.90 -0.34 0.00 0.00 178.44 177.68 1j2e n ASP 367 N -4.90 0.00 0.00 1.25 5.68 -1.26 -4.89 116.55 112.43 1j2e n ASP 367 Ca 0.32 -0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1j2e n ASP 367 Cb 1.08 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1j2e n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j2e n GLY 368 N 1.19 0.27 0.04 6.12 0.00 0.13 -4.83 105.19 108.11 1j2e n GLY 368 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1j2e n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j2e n ASN 369 N -0.25 0.26 -3.76 1.61 3.02 -1.26 -4.87 115.26 110.00 1j2e n ASN 369 Ca 0.00 -0.13 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 1j2e n ASN 369 Cb 0.13 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1j2e n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j2e s SER 370 N -2.74 -0.10 0.10 6.41 1.04 -1.26 -1.84 113.70 115.30 1j2e s SER 370 Ca 0.21 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 1j2e s SER 370 Cb 0.19 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.79 1j2e s SER 370 CO 0.53 -0.86 0.35 0.72 0.98 0.00 0.00 173.24 174.96 1j2e s PHE 371 N -3.86 -0.13 0.10 5.02 -0.71 -0.48 -1.85 117.98 116.07 1j2e s PHE 371 Ca 0.07 -0.15 0.05 0.00 -1.04 0.00 0.00 56.93 55.86 1j2e s PHE 371 Cb 0.02 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1j2e s PHE 371 CO -0.08 -0.63 0.01 0.71 -1.34 0.00 0.00 175.22 173.89 1j2e s TYR 372 N -3.49 3.00 -0.25 3.49 1.51 0.25 -0.23 117.35 121.63 1j2e s TYR 372 Ca 0.01 -0.03 -0.26 0.00 -1.01 0.00 0.00 57.07 55.79 1j2e s TYR 372 Cb 0.02 -1.53 0.10 0.00 -0.11 0.00 0.00 41.96 40.44 1j2e s TYR 372 CO -0.10 0.49 0.88 0.21 -1.11 0.00 0.00 175.55 175.92 1j2e s LYS 373 N -2.42 0.69 -0.16 -0.62 2.20 -0.78 -0.56 119.74 118.09 1j2e s LYS 373 Ca 0.26 0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 56.36 1j2e s LYS 373 Cb -0.11 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 1j2e s LYS 373 CO 0.19 -0.11 0.65 0.42 -0.36 0.00 0.00 175.35 176.14 1j2e s ILE 374 N 0.08 5.03 0.05 5.43 1.01 -1.26 -0.11 121.20 131.42 1j2e s ILE 374 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 1j2e s ILE 374 Cb -0.04 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1j2e s ILE 374 CO -0.01 0.16 0.08 0.27 0.00 0.00 0.00 174.94 175.44 1j2e s ILE 375 N 1.56 0.15 0.28 2.92 -4.36 -0.03 -4.55 121.20 117.17 1j2e s ILE 375 Ca 0.31 -1.25 -0.29 0.00 -0.26 0.00 0.00 60.65 59.16 1j2e s ILE 375 Cb -0.16 -1.08 -0.10 0.00 1.25 0.00 0.00 42.46 42.37 1j2e s ILE 375 CO 0.12 -0.69 1.29 -0.55 0.24 0.00 0.00 174.94 175.35 1j2e s SER 376 N -2.40 6.86 0.09 4.36 0.15 -1.26 -1.36 113.70 120.15 1j2e s SER 376 Ca -0.01 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.19 1j2e s SER 376 Cb 0.02 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1j2e s SER 376 CO -0.07 -0.49 0.00 -0.46 1.20 0.00 0.00 173.24 173.42 1j2e n ASN 377 N 1.48 0.00 0.27 5.45 0.23 -0.42 -4.89 115.26 117.38 1j2e n ASN 377 Ca 0.02 -0.93 0.18 0.00 -0.53 0.00 0.00 54.58 53.32 1j2e n ASN 377 Cb 0.42 0.00 0.98 0.00 -2.08 0.00 0.00 39.78 39.11 1j2e n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1j2e h GLU 378 N 0.00 0.00 -0.01 -3.83 5.08 -1.96 -0.69 114.58 113.17 1j2e h GLU 378 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j2e h GLU 378 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1j2e h GLU 378 CO 0.00 0.00 -0.44 0.39 -1.00 0.00 0.00 179.01 177.96 1j2e n GLU 379 N -2.78 1.44 -0.30 2.33 1.02 -1.26 -4.97 120.64 116.12 1j2e n GLU 379 Ca -0.02 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1j2e n GLU 379 Cb 0.06 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1j2e n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2e n GLY 380 N 1.29 0.73 3.74 0.62 0.00 -0.27 -4.71 105.19 106.59 1j2e n GLY 380 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1j2e n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j2e s TYR 381 N -2.36 3.47 -0.08 1.61 2.02 -1.26 -0.63 117.35 120.12 1j2e s TYR 381 Ca 0.00 0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 56.97 1j2e s TYR 381 Cb 0.00 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1j2e s TYR 381 CO 0.00 0.29 1.18 1.03 -1.57 0.00 0.00 175.55 176.48 1j2e s ARG 382 N 0.31 4.34 0.23 -0.62 0.52 -1.26 -1.30 118.95 121.17 1j2e s ARG 382 Ca 0.15 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 1j2e s ARG 382 Cb -0.13 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1j2e s ARG 382 CO 0.03 -0.47 0.15 -1.01 0.02 0.00 0.00 175.30 174.02 1j2e s HIS 383 N 2.37 1.29 -0.12 -0.53 3.76 -0.46 -2.30 115.29 119.30 1j2e s HIS 383 Ca 0.54 -1.40 -0.24 0.00 -0.15 0.00 0.00 55.06 53.81 1j2e s HIS 383 Cb -0.23 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.81 1j2e s HIS 383 CO 0.20 -0.64 0.77 0.42 -0.85 0.00 0.00 174.74 174.64 1j2e s ILE 384 N -4.01 4.96 -0.05 0.60 1.01 -1.26 -0.85 121.20 121.60 1j2e s ILE 384 Ca 0.39 1.55 0.04 0.00 0.00 0.00 0.00 60.65 62.63 1j2e s ILE 384 Cb 0.06 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1j2e s ILE 384 CO 0.14 0.14 -0.16 0.00 0.00 0.00 0.00 174.94 175.06 1j2e s TYR 386 N -0.63 3.34 0.12 0.00 6.04 0.11 -1.87 117.35 124.46 1j2e s TYR 386 Ca 0.09 0.41 0.08 0.00 0.04 0.00 0.00 57.07 57.70 1j2e s TYR 386 Cb -0.11 -2.39 -0.04 0.00 -1.04 0.00 0.00 41.96 38.38 1j2e s TYR 386 CO 0.01 0.03 -0.14 -0.06 -1.54 0.00 0.00 175.55 173.85 1j2e s PHE 387 N 1.18 2.61 -0.28 4.97 0.08 0.68 -1.38 117.98 125.84 1j2e s PHE 387 Ca 0.13 -0.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 1j2e s PHE 387 Cb -0.14 -1.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1j2e s PHE 387 CO 0.06 0.42 0.01 -1.14 -0.10 0.00 0.00 175.22 174.47 1j2e s GLN 388 N -2.28 2.73 0.41 0.44 2.00 -1.26 -1.38 119.66 120.32 1j2e s GLN 388 Ca 0.20 -1.07 0.38 0.00 -2.00 0.00 0.00 55.36 52.87 1j2e s GLN 388 Cb -0.10 -3.18 1.30 0.00 0.80 0.00 0.00 33.01 31.82 1j2e s GLN 388 CO 0.12 -0.51 1.16 0.44 -0.50 0.00 0.00 175.29 176.00 1j2e n ILE 389 N 4.71 -0.00 -1.73 -2.34 -5.35 -0.77 0.44 119.36 114.32 1j2e n ILE 389 Ca -0.15 1.11 -0.23 0.00 -0.27 0.00 0.00 62.75 63.22 1j2e n ILE 389 Cb 0.46 -1.86 0.07 0.00 -1.74 0.00 0.00 39.64 36.58 1j2e n ILE 389 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1j2e n ASP 390 N -3.44 5.10 -3.76 7.28 3.85 -1.26 -4.24 116.55 120.09 1j2e n ASP 390 Ca 0.33 -3.77 -0.15 0.00 -0.71 0.00 0.00 54.79 50.49 1j2e n ASP 390 Cb 1.51 -0.57 -0.16 0.00 -1.35 0.00 0.00 41.12 40.56 1j2e n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1j2e s LYS 391 N -3.59 -0.01 0.00 0.11 1.02 0.17 -4.91 119.74 112.53 1j2e s LYS 391 Ca 0.53 0.25 0.25 0.00 0.02 0.00 0.00 55.97 57.02 1j2e s LYS 391 Cb 0.43 -0.24 1.22 0.00 -0.52 0.00 0.00 37.83 38.72 1j2e s LYS 391 CO 0.02 -0.18 1.82 1.63 -0.92 0.00 0.00 175.35 177.72 1j2e n LYS 392 N 4.26 1.33 -4.05 1.68 4.76 -1.26 -4.47 118.16 120.40 1j2e n LYS 392 Ca -0.26 -0.48 -0.32 0.00 -2.87 0.00 0.00 58.31 54.38 1j2e n LYS 392 Cb 0.50 -1.41 -0.16 0.00 -1.84 0.00 0.00 35.03 32.12 1j2e n LYS 392 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1j2e s ASP 393 N -1.78 3.39 0.49 4.39 1.01 -1.26 -4.98 116.67 117.92 1j2e s ASP 393 Ca 0.37 -0.84 0.04 0.00 0.71 0.00 0.00 52.55 52.83 1j2e s ASP 393 Cb 0.18 -1.36 0.02 0.00 1.01 0.00 0.00 42.92 42.77 1j2e s ASP 393 CO 0.29 -0.09 0.68 0.00 0.21 0.00 0.00 175.17 176.27 1j2e s THR 395 N -2.58 2.47 0.02 0.00 2.01 -0.48 -4.88 115.64 112.21 1j2e s THR 395 Ca 0.56 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1j2e s THR 395 Cb -0.10 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1j2e s THR 395 CO 0.36 0.52 1.21 -0.36 -0.69 0.00 0.00 174.62 175.66 1j2e s PHE 396 N 0.88 3.32 -1.52 4.92 0.08 -1.26 0.07 117.98 124.47 1j2e s PHE 396 Ca -0.04 1.25 0.17 0.00 0.12 0.00 0.00 56.93 58.43 1j2e s PHE 396 Cb -0.15 -3.43 0.50 0.00 -0.57 0.00 0.00 43.02 39.37 1j2e s PHE 396 CO -0.02 -1.34 1.42 0.44 -0.10 0.00 0.00 175.22 175.61 1j2e n ILE 397 N 4.19 0.99 -3.62 0.64 -5.35 -0.37 -4.93 119.36 110.91 1j2e n ILE 397 Ca 0.10 -1.00 -0.13 0.00 -0.27 0.00 0.00 62.75 61.45 1j2e n ILE 397 Cb 0.46 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.81 1j2e n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1j2e s THR 398 N -1.00 0.05 0.15 7.28 -4.23 -1.26 -4.97 115.64 111.66 1j2e s THR 398 Ca 0.38 -0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 60.27 1j2e s THR 398 Cb 0.20 -0.97 0.07 0.00 1.34 0.00 0.00 72.50 73.13 1j2e s THR 398 CO 0.26 -0.21 0.99 -1.59 -0.54 0.00 0.00 174.62 173.53 1j2e s LYS 399 N -2.54 1.19 0.00 3.99 -2.85 -1.26 -4.62 119.74 113.66 1j2e s LYS 399 Ca -0.05 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1j2e s LYS 399 Cb -0.01 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1j2e s LYS 399 CO -0.03 -0.55 0.00 0.41 0.10 0.00 0.00 175.35 175.29 1j2e n GLY 400 N -0.51 1.51 2.95 0.59 0.00 -1.26 -4.90 105.19 103.56 1j2e n GLY 400 Ca -0.06 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 1j2e n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j2e n THR 401 N -1.36 4.49 -3.84 2.61 -2.24 -1.26 -4.82 114.28 107.86 1j2e n THR 401 Ca 0.00 -4.67 -0.02 0.00 -2.27 0.00 0.00 64.05 57.09 1j2e n THR 401 Cb 0.00 -2.33 0.01 0.00 -2.10 0.00 0.00 70.33 65.91 1j2e n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1j2e s TRP 402 N -0.00 0.01 0.07 4.78 1.48 -1.26 -5.02 118.94 119.00 1j2e s TRP 402 Ca 0.38 -0.35 0.02 0.00 -1.06 0.00 0.00 56.10 55.10 1j2e s TRP 402 Cb 0.07 0.66 -0.03 0.00 -1.16 0.00 0.00 33.47 33.02 1j2e s TRP 402 CO 0.02 -0.81 -0.07 -1.21 -4.06 0.00 0.00 176.95 170.82 1j2e s GLU 403 N -2.45 0.69 -0.25 3.25 2.02 -1.26 -4.60 118.70 116.09 1j2e s GLU 403 Ca 0.19 -1.04 -0.21 0.00 0.02 0.00 0.00 54.97 53.93 1j2e s GLU 403 Cb -0.02 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.92 1j2e s GLU 403 CO 0.03 0.02 0.68 0.08 0.02 0.00 0.00 175.26 176.10 1j2e s VAL 404 N -2.44 4.95 0.06 2.63 1.01 -0.97 -2.27 120.40 123.36 1j2e s VAL 404 Ca 0.01 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 1j2e s VAL 404 Cb -0.03 -3.98 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1j2e s VAL 404 CO -0.02 0.01 1.26 0.40 0.00 0.00 0.00 175.10 176.75 1j2e h ILE 405 N 5.40 1.35 -1.52 2.22 1.08 0.30 -3.46 117.51 122.87 1j2e h ILE 405 Ca -0.26 -1.80 0.15 0.00 -0.39 0.00 0.00 64.86 62.56 1j2e h ILE 405 Cb 1.12 2.10 -0.22 0.00 -3.07 0.00 0.00 36.82 36.75 1j2e h ILE 405 CO 0.80 0.55 0.68 -0.83 -0.69 0.00 0.00 178.15 178.65 1j2e s GLY 406 N -3.91 -0.22 -0.25 5.37 0.00 -1.07 -4.99 107.32 102.25 1j2e s GLY 406 Ca -0.12 2.00 -0.22 0.00 0.00 0.00 0.00 44.72 46.38 1j2e s GLY 406 CO 0.84 0.87 0.69 -0.42 0.00 0.00 0.00 173.10 175.08 1j2e s ILE 407 N -1.58 4.94 -0.15 0.90 1.01 -1.26 -1.41 121.20 123.65 1j2e s ILE 407 Ca 0.03 1.26 0.18 0.00 0.00 0.00 0.00 60.65 62.12 1j2e s ILE 407 Cb -0.01 -3.99 -0.25 0.00 0.01 0.00 0.00 42.46 38.22 1j2e s ILE 407 CO -0.03 -0.01 0.29 -0.62 0.00 0.00 0.00 174.94 174.57 1j2e n GLU 408 N 5.81 0.67 -3.57 2.79 -0.58 0.47 -4.99 120.64 121.24 1j2e n GLU 408 Ca 0.01 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1j2e n GLU 408 Cb 0.48 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 1j2e n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j2e s ALA 409 N -2.71 -1.91 -0.06 0.62 0.00 -1.13 -4.90 121.76 111.68 1j2e s ALA 409 Ca -0.08 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1j2e s ALA 409 Cb 0.08 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1j2e s ALA 409 CO 0.84 -0.31 -0.03 -1.17 0.00 0.00 0.00 175.76 175.08 1j2e s LEU 410 N -0.98 1.10 0.46 0.00 2.96 -1.26 -0.33 118.68 120.63 1j2e s LEU 410 Ca -0.03 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1j2e s LEU 410 Cb -0.01 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 1j2e s LEU 410 CO 0.02 -0.10 0.02 0.42 -1.32 0.00 0.00 176.35 175.39 1j2e s THR 411 N 1.28 1.63 0.32 3.68 -4.23 0.28 -4.99 115.64 113.61 1j2e s THR 411 Ca -0.05 -1.99 0.37 0.00 -1.18 0.00 0.00 61.69 58.84 1j2e s THR 411 Cb -0.14 -2.61 0.38 0.00 1.34 0.00 0.00 72.50 71.47 1j2e s THR 411 CO -0.02 0.00 2.12 0.77 -0.54 0.00 0.00 174.62 176.95 1j2e h SER 412 N 1.56 0.00 0.00 3.99 4.64 -2.00 -3.16 113.55 118.58 1j2e h SER 412 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1j2e h SER 412 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1j2e h SER 412 CO 0.77 0.00 -1.18 0.47 -0.87 0.00 0.00 176.83 176.02 1j2e n ASP 413 N -2.86 4.22 -4.05 4.97 10.43 -1.26 -4.92 116.55 123.08 1j2e n ASP 413 Ca -0.02 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.25 1j2e n ASP 413 Cb 0.11 0.91 -0.11 0.00 1.84 0.00 0.00 41.12 43.87 1j2e n ASP 413 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1j2e s TYR 414 N -2.17 0.47 -0.11 1.24 2.02 -1.20 -1.53 117.35 116.07 1j2e s TYR 414 Ca -0.01 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 1j2e s TYR 414 Cb 0.02 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.28 1j2e s TYR 414 CO 0.14 -0.23 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.59 1j2e s LEU 415 N -2.10 1.57 -0.16 -1.29 0.20 -1.14 0.99 118.68 116.74 1j2e s LEU 415 Ca -0.05 -0.39 -0.07 0.00 0.69 0.00 0.00 54.13 54.31 1j2e s LEU 415 Cb -0.03 -1.01 -0.04 0.00 -0.43 0.00 0.00 46.19 44.69 1j2e s LEU 415 CO -0.04 -0.03 0.07 -0.31 -0.29 0.00 0.00 176.35 175.75 1j2e s TYR 416 N 1.22 3.31 0.15 5.38 1.51 0.55 -2.13 117.35 127.34 1j2e s TYR 416 Ca -0.03 0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1j2e s TYR 416 Cb -0.14 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1j2e s TYR 416 CO -0.04 0.31 0.11 1.52 -1.11 0.00 0.00 175.55 176.33 1j2e s TYR 417 N -0.04 0.86 -0.08 2.71 -0.85 0.14 -0.39 117.35 119.70 1j2e s TYR 417 Ca 0.07 -1.20 0.05 0.00 -0.52 0.00 0.00 57.07 55.47 1j2e s TYR 417 Cb -0.12 -0.43 -0.01 0.00 0.38 0.00 0.00 41.96 41.78 1j2e s TYR 417 CO 0.01 -0.58 -0.23 0.42 -1.52 0.00 0.00 175.55 173.65 1j2e s ILE 418 N -4.06 2.16 0.31 -3.49 1.01 -0.50 1.00 121.20 117.63 1j2e s ILE 418 Ca 0.26 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.95 1j2e s ILE 418 Cb 0.07 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1j2e s ILE 418 CO 0.04 0.56 0.31 -1.54 0.00 0.00 0.00 174.94 174.31 1j2e n SER 419 N 3.20 -0.82 -2.04 3.58 3.41 -0.89 0.99 113.62 121.05 1j2e n SER 419 Ca -0.18 -2.98 -0.20 0.00 -0.26 0.00 0.00 58.87 55.25 1j2e n SER 419 Cb 0.52 1.77 0.03 0.00 -0.26 0.00 0.00 64.21 66.28 1j2e n SER 419 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1j2e n ASN 420 N -1.74 4.36 0.06 4.04 0.23 -0.96 -1.45 115.26 119.79 1j2e n ASN 420 Ca 0.06 -3.55 -0.14 0.00 -0.53 0.00 0.00 54.58 50.42 1j2e n ASN 420 Cb 0.56 -0.37 -0.05 0.00 -2.08 0.00 0.00 39.78 37.85 1j2e n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1j2e h GLU 421 N 2.16 0.44 -6.21 -3.83 4.81 -1.84 -3.34 114.58 106.77 1j2e h GLU 421 Ca 0.29 -0.46 -0.69 0.00 -0.13 0.00 0.00 59.36 58.37 1j2e h GLU 421 Cb 1.49 0.13 0.02 0.00 0.63 0.00 0.00 28.75 31.02 1j2e h GLU 421 CO 0.65 1.12 0.90 0.98 -0.73 0.00 0.00 179.01 181.93 1j2e n TYR 422 N -3.76 2.08 -1.48 0.92 9.36 -1.26 -1.47 117.16 121.54 1j2e n TYR 422 Ca -0.07 0.39 -0.14 0.00 3.32 0.00 0.00 57.90 61.40 1j2e n TYR 422 Cb 0.83 -2.50 -0.06 0.00 -0.63 0.00 0.00 39.34 36.98 1j2e n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1j2e n LYS 423 N 5.28 -1.36 -2.17 2.98 5.02 -1.26 -1.84 118.16 124.81 1j2e n LYS 423 Ca 0.24 0.84 -0.18 0.00 -2.02 0.00 0.00 58.31 57.18 1j2e n LYS 423 Cb 0.19 -5.12 -0.02 0.00 -0.02 0.00 0.00 35.03 30.05 1j2e n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j2e n GLY 424 N -0.30 0.08 3.41 0.72 0.00 -0.54 -4.97 105.19 103.59 1j2e n GLY 424 Ca -0.14 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 1j2e n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j2e s MET 425 N -4.63 3.05 0.43 1.61 -1.94 -0.76 -4.93 119.30 112.13 1j2e s MET 425 Ca 0.00 -1.14 0.11 0.00 -1.71 0.00 0.00 55.69 52.95 1j2e s MET 425 Cb 0.00 -4.13 0.98 0.00 2.01 0.00 0.00 34.83 33.69 1j2e s MET 425 CO 0.00 -1.15 2.02 -1.35 -0.01 0.00 0.00 175.02 174.53 1j2e h PRO 426 N 8.89 0.43 -0.54 2.03 0.11 -1.87 -0.43 132.00 140.61 1j2e h PRO 426 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1j2e h PRO 426 Cb 1.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1j2e h PRO 426 CO 0.93 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.42 1j2e n GLY 427 N -1.50 0.81 3.80 -0.55 0.00 -1.26 -4.85 105.19 101.63 1j2e n GLY 427 Ca 0.07 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1j2e n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j2e s GLY 428 N -0.58 1.79 -0.14 -0.02 0.00 -0.17 -1.98 107.32 106.21 1j2e s GLY 428 Ca 0.12 -1.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.07 1j2e s GLY 428 CO 0.05 -1.63 0.34 0.50 0.00 0.00 0.00 173.10 172.37 1j2e s ARG 429 N -3.92 0.32 0.02 2.90 3.00 0.14 -4.21 118.95 117.20 1j2e s ARG 429 Ca 0.39 0.68 -0.07 0.00 0.00 0.00 0.00 55.73 56.72 1j2e s ARG 429 Cb -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 34.95 34.84 1j2e s ARG 429 CO 0.25 -0.16 0.13 -0.80 0.00 0.00 0.00 175.30 174.72 1j2e s ASN 430 N 1.30 0.10 0.00 0.23 0.01 -0.53 -0.91 114.94 115.14 1j2e s ASN 430 Ca -0.09 -0.38 -0.24 0.00 -0.71 0.00 0.00 52.86 51.44 1j2e s ASN 430 Cb -0.09 0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.75 1j2e s ASN 430 CO -0.11 -0.46 0.74 -0.22 -1.51 0.00 0.00 177.10 175.54 1j2e s LEU 431 N -1.83 4.40 0.14 0.60 2.96 -1.26 -2.09 118.68 121.59 1j2e s LEU 431 Ca -0.09 1.34 0.06 0.00 -0.22 0.00 0.00 54.13 55.22 1j2e s LEU 431 Cb -0.04 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1j2e s LEU 431 CO -0.02 -0.03 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.54 1j2e s TYR 432 N 0.27 1.39 -0.07 5.38 1.51 0.28 -0.92 117.35 125.19 1j2e s TYR 432 Ca 0.38 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1j2e s TYR 432 Cb -0.19 -0.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1j2e s TYR 432 CO 0.21 0.15 -0.03 0.21 -1.11 0.00 0.00 175.55 174.98 1j2e s LYS 433 N -3.08 0.87 -0.01 -0.62 2.20 0.65 -0.68 119.74 119.08 1j2e s LYS 433 Ca 0.12 -0.05 0.05 0.00 -0.36 0.00 0.00 55.97 55.73 1j2e s LYS 433 Cb -0.02 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.25 1j2e s LYS 433 CO 0.03 -0.19 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.17 1j2e s ILE 434 N 1.43 2.91 -0.38 5.43 2.07 -0.90 -0.40 121.20 131.36 1j2e s ILE 434 Ca -0.03 -0.94 -0.26 0.00 -1.41 0.00 0.00 60.65 58.01 1j2e s ILE 434 Cb -0.13 -2.17 0.02 0.00 0.13 0.00 0.00 42.46 40.30 1j2e s ILE 434 CO -0.03 0.48 0.94 -1.58 -1.91 0.00 0.00 174.94 172.84 1j2e s GLN 435 N -1.05 3.80 0.48 3.50 0.74 -0.19 -2.88 119.66 124.05 1j2e s GLN 435 Ca 0.13 0.53 0.24 0.00 0.05 0.00 0.00 55.36 56.32 1j2e s GLN 435 Cb -0.11 -3.82 1.28 0.00 1.10 0.00 0.00 33.01 31.46 1j2e s GLN 435 CO 0.03 -1.01 1.88 -0.07 -0.55 0.00 0.00 175.29 175.57 1j2e h LEU 436 N 10.20 0.21 0.00 3.68 3.38 -1.63 0.14 115.31 131.28 1j2e h LEU 436 Ca -0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1j2e h LEU 436 Cb 1.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1j2e h LEU 436 CO 1.00 0.08 -0.16 0.28 0.09 0.00 0.00 178.44 179.73 1j2e h SER 437 N 0.20 0.00 -1.47 -0.43 0.02 -1.91 -3.42 113.55 106.53 1j2e h SER 437 Ca 0.44 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1j2e h SER 437 Cb 1.41 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.69 1j2e h SER 437 CO -0.10 0.01 -0.48 -0.62 -1.14 0.00 0.00 176.83 174.50 1j2e s ASP 438 N -5.32 -0.27 0.18 3.07 -1.08 0.47 -5.03 116.67 108.69 1j2e s ASP 438 Ca 0.08 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 1j2e s ASP 438 Cb 0.09 1.41 0.78 0.00 -1.46 0.00 0.00 42.92 43.74 1j2e s ASP 438 CO 0.66 -0.34 1.51 -1.22 0.52 0.00 0.00 175.17 176.31 1j2e n TYR 439 N 5.38 0.48 0.89 -5.34 4.01 -1.18 -1.19 117.16 120.20 1j2e n TYR 439 Ca 0.02 0.22 0.13 0.00 -0.16 0.00 0.00 57.90 58.11 1j2e n TYR 439 Cb 0.51 -0.85 0.56 0.00 -0.31 0.00 0.00 39.34 39.24 1j2e n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1j2e n THR 440 N -1.97 0.19 -3.12 -0.72 -2.24 -1.26 -4.41 114.28 100.75 1j2e n THR 440 Ca 0.01 -0.04 -0.45 0.00 -2.27 0.00 0.00 64.05 61.30 1j2e n THR 440 Cb 0.12 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 1j2e n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j2e s LYS 441 N -3.03 3.47 -0.11 -0.78 3.01 -0.34 -4.99 119.74 116.97 1j2e s LYS 441 Ca 0.13 -1.93 0.01 0.00 -1.01 0.00 0.00 55.97 53.17 1j2e s LYS 441 Cb 0.17 -4.58 0.02 0.00 -1.01 0.00 0.00 37.83 32.43 1j2e s LYS 441 CO 0.52 -1.53 -0.12 0.08 0.51 0.00 0.00 175.35 174.81 1j2e s VAL 442 N 1.72 1.30 -0.06 3.17 1.01 -1.26 -1.02 120.40 125.25 1j2e s VAL 442 Ca 0.22 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1j2e s VAL 442 Cb -0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1j2e s VAL 442 CO -0.06 0.41 -0.15 -0.89 0.00 0.00 0.00 175.10 174.41 1j2e s THR 443 N 1.28 2.95 -0.23 3.92 2.01 0.47 -4.95 115.64 121.09 1j2e s THR 443 Ca -0.02 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1j2e s THR 443 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1j2e s THR 443 CO -0.05 0.58 0.32 0.00 -0.69 0.00 0.00 174.62 174.78 1j2e n LEU 445 N 4.66 1.21 0.00 0.00 4.77 -0.09 -4.46 117.00 123.08 1j2e n LEU 445 Ca -0.10 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1j2e n LEU 445 Cb 0.51 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1j2e n LEU 445 CO 0.38 0.23 -0.33 -1.54 -1.33 0.00 0.00 177.39 174.80 1j2e n SER 446 N -0.59 3.27 -0.26 -1.43 3.41 -1.23 -4.79 113.62 112.00 1j2e n SER 446 Ca 0.11 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 1j2e n SER 446 Cb 0.37 0.64 0.08 0.00 -0.26 0.00 0.00 64.21 65.05 1j2e n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2e n GLU 448 N -5.50 1.47 -0.33 0.00 -0.58 -1.26 -4.12 120.64 110.32 1j2e n GLU 448 Ca 0.10 -1.10 0.22 0.00 -0.42 0.00 0.00 57.16 55.96 1j2e n GLU 448 Cb 0.39 -1.42 0.48 0.00 -0.57 0.00 0.00 31.44 30.32 1j2e n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1j2e h LEU 449 N 2.62 0.49 -5.00 -4.62 3.38 -1.84 -3.35 115.31 106.99 1j2e h LEU 449 Ca 0.00 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1j2e h LEU 449 Cb 0.74 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 1j2e h LEU 449 CO 0.00 0.08 -0.11 -3.20 0.09 0.00 0.00 178.44 175.30 1j2e n ASN 450 N -4.69 -1.59 -0.33 -0.43 2.85 -1.26 -5.07 115.26 104.73 1j2e n ASN 450 Ca 0.26 -2.15 0.26 0.00 -0.11 0.00 0.00 54.58 52.84 1j2e n ASN 450 Cb 0.87 1.06 0.51 0.00 1.24 0.00 0.00 39.78 43.45 1j2e n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1j2e h PRO 451 N 3.05 0.20 -0.21 1.20 0.13 -1.72 0.16 132.00 134.81 1j2e h PRO 451 Ca -0.23 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.69 1j2e h PRO 451 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j2e h PRO 451 CO -0.05 0.13 -0.64 0.93 -0.23 0.00 0.00 178.00 178.14 1j2e h GLU 452 N 0.20 0.75 0.00 0.86 5.08 -1.96 -3.33 114.58 116.18 1j2e h GLU 452 Ca 0.77 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1j2e h GLU 452 Cb 1.85 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1j2e h GLU 452 CO -0.67 1.15 -1.35 -2.13 -1.00 0.00 0.00 179.01 175.01 1j2e n ARG 453 N -3.96 0.36 -3.76 2.33 0.63 -0.85 -4.63 116.66 106.78 1j2e n ARG 453 Ca -0.05 -0.06 -0.29 0.00 -0.92 0.00 0.00 57.85 56.53 1j2e n ARG 453 Cb 0.67 -1.56 -0.16 0.00 0.45 0.00 0.00 32.46 31.86 1j2e n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j2e n GLN 455 N 4.93 2.61 -3.88 0.00 6.02 0.89 -4.50 117.38 123.44 1j2e n GLN 455 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 1j2e n GLN 455 Cb 0.45 -0.72 -0.13 0.00 1.02 0.00 0.00 30.24 30.86 1j2e n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1j2e s TYR 456 N -1.23 3.50 0.30 1.08 5.04 -1.13 0.25 117.35 125.16 1j2e s TYR 456 Ca 0.00 -2.34 0.08 0.00 -2.44 0.00 0.00 57.07 52.36 1j2e s TYR 456 Cb 0.00 -2.72 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 1j2e s TYR 456 CO 0.00 -0.91 0.20 0.71 -1.34 0.00 0.00 175.55 174.22 1j2e s TYR 457 N 1.13 2.93 0.00 4.97 1.51 -0.08 -1.42 117.35 126.39 1j2e s TYR 457 Ca 0.03 -0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 1j2e s TYR 457 Cb -0.21 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1j2e s TYR 457 CO -0.04 0.38 0.22 0.45 -1.11 0.00 0.00 175.55 175.44 1j2e s SER 458 N -3.88 -0.06 0.09 2.29 0.15 -0.43 -4.70 113.70 107.15 1j2e s SER 458 Ca 0.36 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1j2e s SER 458 Cb -0.06 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1j2e s SER 458 CO 0.25 -0.44 -0.06 0.54 1.20 0.00 0.00 173.24 174.72 1j2e s VAL 459 N -1.60 0.63 -0.23 4.45 0.11 -1.26 0.67 120.40 123.18 1j2e s VAL 459 Ca -0.12 -1.87 -0.03 0.00 -2.93 0.00 0.00 61.98 57.03 1j2e s VAL 459 Cb -0.05 -1.59 0.10 0.00 -1.53 0.00 0.00 36.38 33.30 1j2e s VAL 459 CO 0.02 -0.86 0.23 -0.55 -3.33 0.00 0.00 175.10 170.61 1j2e s SER 460 N -2.93 1.57 0.35 3.54 0.15 -0.48 -4.97 113.70 110.93 1j2e s SER 460 Ca 0.10 -0.40 -0.06 0.00 0.70 0.00 0.00 55.95 56.29 1j2e s SER 460 Cb 0.05 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1j2e s SER 460 CO -0.05 -0.35 0.64 -0.36 1.20 0.00 0.00 173.24 174.33 1j2e s PHE 461 N 2.32 3.48 0.95 3.44 0.40 -1.26 -0.68 117.98 126.63 1j2e s PHE 461 Ca 0.08 0.77 -0.13 0.00 -0.60 0.00 0.00 56.93 57.05 1j2e s PHE 461 Cb -0.15 -2.22 0.16 0.00 0.51 0.00 0.00 43.02 41.31 1j2e s PHE 461 CO -0.18 0.04 1.13 -1.54 0.70 0.00 0.00 175.22 175.37 1j2e s SER 462 N -3.28 3.14 0.64 1.36 1.04 0.27 -4.84 113.70 112.04 1j2e s SER 462 Ca 0.46 0.99 0.21 0.00 0.48 0.00 0.00 55.95 58.09 1j2e s SER 462 Cb -0.10 -1.57 1.04 0.00 0.10 0.00 0.00 66.02 65.48 1j2e s SER 462 CO 0.32 -2.78 1.57 0.11 0.98 0.00 0.00 173.24 173.44 1j2e h LYS 463 N -1.66 0.00 0.00 4.02 6.56 -1.78 -0.99 116.57 122.72 1j2e h LYS 463 Ca -0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.06 1j2e h LYS 463 Cb 1.33 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.97 1j2e h LYS 463 CO 0.60 0.00 -0.37 0.39 -2.06 0.00 0.00 179.45 178.00 1j2e n GLU 464 N -2.96 0.46 -1.88 3.15 1.02 -1.26 -4.91 120.64 114.25 1j2e n GLU 464 Ca 0.04 -1.63 -0.14 0.00 -0.02 0.00 0.00 57.16 55.40 1j2e n GLU 464 Cb 0.75 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 31.32 1j2e n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j2e n ALA 465 N -0.46 -0.33 0.13 0.62 0.00 -0.38 -4.88 120.51 115.21 1j2e n ALA 465 Ca 0.06 0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.69 1j2e n ALA 465 Cb 0.71 -1.63 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1j2e n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j2e h LYS 466 N 0.00 0.00 -4.20 0.00 3.64 -1.81 -3.41 116.57 110.78 1j2e h LYS 466 Ca -0.32 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.93 1j2e h LYS 466 Cb 1.11 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.79 1j2e h LYS 466 CO 0.42 0.54 -0.62 0.71 -2.27 0.00 0.00 179.45 178.23 1j2e s TYR 467 N -2.96 0.53 -0.22 1.91 1.51 -1.26 -1.28 117.35 115.57 1j2e s TYR 467 Ca 0.04 -1.02 -0.14 0.00 -1.01 0.00 0.00 57.07 54.93 1j2e s TYR 467 Cb 0.08 -0.35 0.06 0.00 -0.11 0.00 0.00 41.96 41.64 1j2e s TYR 467 CO 0.75 -0.44 0.55 1.52 -1.11 0.00 0.00 175.55 176.82 1j2e s TYR 468 N -3.94 -0.77 -0.12 2.71 1.13 -1.02 -0.56 117.35 114.79 1j2e s TYR 468 Ca 0.10 1.64 -0.19 0.00 -1.41 0.00 0.00 57.07 57.21 1j2e s TYR 468 Cb 0.07 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1j2e s TYR 468 CO -0.08 -0.39 0.50 -1.14 -2.51 0.00 0.00 175.55 171.93 1j2e s GLN 469 N 1.18 4.34 -0.13 -3.49 0.74 0.15 -1.55 119.66 120.90 1j2e s GLN 469 Ca -0.07 0.48 -0.08 0.00 0.05 0.00 0.00 55.36 55.74 1j2e s GLN 469 Cb -0.06 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1j2e s GLN 469 CO -0.11 0.13 0.16 -0.51 -0.55 0.00 0.00 175.29 174.41 1j2e s LEU 470 N 0.70 4.36 -0.30 3.68 1.43 0.70 -1.38 118.68 127.87 1j2e s LEU 470 Ca 0.27 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1j2e s LEU 470 Cb -0.15 -2.12 0.09 0.00 0.03 0.00 0.00 46.19 44.03 1j2e s LEU 470 CO 0.11 0.35 0.04 -0.13 0.23 0.00 0.00 176.35 176.95 1j2e s ARG 471 N -0.73 1.23 -0.07 1.70 0.52 0.21 -1.71 118.95 120.11 1j2e s ARG 471 Ca 0.14 -1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 53.80 1j2e s ARG 471 Cb -0.12 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1j2e s ARG 471 CO 0.04 -0.86 0.63 0.00 0.02 0.00 0.00 175.30 175.12 1j2e n SER 473 N 3.58 2.10 0.00 0.00 3.41 -0.51 -1.39 113.62 120.82 1j2e n SER 473 Ca -0.04 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1j2e n SER 473 Cb 0.51 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1j2e n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2e n GLY 474 N -1.21 2.20 0.00 5.00 0.00 -1.26 -0.28 105.19 109.65 1j2e n GLY 474 Ca 0.13 -1.14 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1j2e n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j2e n PRO 475 N -1.07 0.34 -0.96 1.61 -0.04 -0.83 -0.08 135.00 133.97 1j2e n PRO 475 Ca 0.00 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1j2e n PRO 475 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1j2e n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j2e n GLY 476 N 0.61 1.19 3.76 0.55 0.00 -0.95 -4.56 105.19 105.79 1j2e n GLY 476 Ca 0.11 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1j2e n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j2e s LEU 477 N 0.00 3.94 0.37 0.99 1.43 -1.26 -4.59 118.68 119.56 1j2e s LEU 477 Ca 0.07 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 55.60 1j2e s LEU 477 Cb -0.00 -4.20 -0.12 0.00 0.03 0.00 0.00 46.19 41.90 1j2e s LEU 477 CO 0.04 -1.35 1.04 -2.65 0.23 0.00 0.00 176.35 173.65 1j2e n PRO 478 N -0.74 1.44 -3.93 1.29 -0.02 -1.26 -4.72 135.00 127.05 1j2e n PRO 478 Ca 0.09 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.87 1j2e n PRO 478 Cb 0.45 -2.01 -0.17 0.00 -0.02 0.00 0.00 33.50 31.75 1j2e n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j2e s LEU 479 N -0.25 0.93 -0.17 2.45 2.96 -0.48 -4.35 118.68 119.76 1j2e s LEU 479 Ca 0.61 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1j2e s LEU 479 Cb -0.60 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1j2e s LEU 479 CO 0.59 -0.13 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.13 1j2e s TYR 480 N 1.46 2.98 0.07 5.38 2.02 0.48 -1.03 117.35 128.70 1j2e s TYR 480 Ca -0.03 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1j2e s TYR 480 Cb -0.13 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 1j2e s TYR 480 CO -0.03 -0.22 -0.10 0.95 -1.57 0.00 0.00 175.55 174.59 1j2e s THR 481 N 0.73 0.80 0.12 -0.71 -4.23 -0.69 -0.35 115.64 111.31 1j2e s THR 481 Ca -0.02 -1.38 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 1j2e s THR 481 Cb -0.15 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1j2e s THR 481 CO 0.02 -0.45 0.08 -0.22 -0.54 0.00 0.00 174.62 173.51 1j2e s LEU 482 N -2.01 3.70 0.17 4.79 2.96 -0.42 -0.21 118.68 127.66 1j2e s LEU 482 Ca -0.02 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1j2e s LEU 482 Cb -0.06 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 1j2e s LEU 482 CO 0.00 0.12 0.28 -1.00 -1.32 0.00 0.00 176.35 174.43 1j2e s HIS 483 N -1.55 0.48 -0.07 5.38 3.76 -0.59 -1.57 115.29 121.13 1j2e s HIS 483 Ca 0.29 -0.84 0.05 0.00 -0.15 0.00 0.00 55.06 54.42 1j2e s HIS 483 Cb -0.11 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.47 1j2e s HIS 483 CO 0.22 -0.73 -0.25 -1.54 -0.85 0.00 0.00 174.74 171.59 1j2e s SER 484 N -2.99 3.06 0.33 1.40 1.04 -0.64 -2.43 113.70 113.46 1j2e s SER 484 Ca 0.20 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.26 1j2e s SER 484 Cb 0.03 -1.02 0.50 0.00 0.10 0.00 0.00 66.02 65.64 1j2e s SER 484 CO 0.02 0.22 1.66 0.28 0.98 0.00 0.00 173.24 176.39 1j2e h SER 485 N 6.27 0.00 -0.66 7.02 0.02 -1.43 0.11 113.55 124.89 1j2e h SER 485 Ca -0.28 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1j2e h SER 485 Cb 1.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 1j2e h SER 485 CO 0.47 0.48 0.44 1.62 -1.14 0.00 0.00 176.83 178.70 1j2e h VAL 486 N 0.00 0.88 0.00 2.27 3.04 -1.90 -3.25 116.25 117.29 1j2e h VAL 486 Ca -0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1j2e h VAL 486 Cb 1.03 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1j2e h VAL 486 CO 0.06 0.08 -0.11 -0.46 -1.01 0.00 0.00 177.57 176.13 1j2e n ASN 487 N -4.47 0.13 -2.81 3.17 2.04 -1.23 -5.02 115.26 107.07 1j2e n ASN 487 Ca 0.11 -1.29 -0.15 0.00 -0.44 0.00 0.00 54.58 52.81 1j2e n ASN 487 Cb 0.40 -0.05 -0.01 0.00 -2.53 0.00 0.00 39.78 37.60 1j2e n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1j2e n ASP 488 N -0.04 -3.37 -4.85 0.53 8.00 0.36 -4.93 116.55 112.25 1j2e n ASP 488 Ca 0.00 0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.16 1j2e n ASP 488 Cb 0.53 -2.86 -0.06 0.00 -0.02 0.00 0.00 41.12 38.72 1j2e n ASP 488 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1j2e s LYS 489 N -5.40 3.84 -0.22 -1.24 3.01 -1.13 -4.84 119.74 113.75 1j2e s LYS 489 Ca 0.15 0.30 -0.29 0.00 -1.01 0.00 0.00 55.97 55.12 1j2e s LYS 489 Cb -0.08 -3.05 -0.01 0.00 -1.01 0.00 0.00 37.83 33.68 1j2e s LYS 489 CO 0.19 0.58 1.35 0.20 0.51 0.00 0.00 175.35 178.18 1j2e s GLY 490 N -1.57 1.47 0.07 -3.33 0.00 -1.26 -1.63 107.32 101.07 1j2e s GLY 490 Ca 0.31 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 45.23 1j2e s GLY 490 CO 0.17 2.64 1.28 1.41 0.00 0.00 0.00 173.10 178.60 1j2e h LEU 491 N 10.49 0.75 0.00 0.66 3.38 -1.60 -3.49 115.31 125.50 1j2e h LEU 491 Ca -0.28 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1j2e h LEU 491 Cb 1.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1j2e h LEU 491 CO 1.00 1.23 0.00 -2.11 0.09 0.00 0.00 178.44 178.65 1j2e n ARG 492 N -4.14 -1.10 -3.60 1.13 1.85 -1.22 -5.00 116.66 104.57 1j2e n ARG 492 Ca -0.07 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.42 1j2e n ARG 492 Cb 0.63 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.97 1j2e n ARG 492 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1j2e s VAL 493 N -2.00 5.33 -0.16 8.89 1.01 -1.26 -1.30 120.40 130.90 1j2e s VAL 493 Ca 0.00 0.46 0.18 0.00 0.00 0.00 0.00 61.98 62.62 1j2e s VAL 493 Cb 0.00 -3.58 -0.25 0.00 0.00 0.00 0.00 36.38 32.55 1j2e s VAL 493 CO 0.00 0.43 0.21 0.18 0.00 0.00 0.00 175.10 175.92 1j2e n LEU 494 N 3.32 0.14 -3.61 3.92 4.77 0.52 -4.95 117.00 121.12 1j2e n LEU 494 Ca -0.14 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.88 1j2e n LEU 494 Cb 0.52 0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.95 1j2e n LEU 494 CO 0.38 0.43 0.47 -0.70 -1.33 0.00 0.00 177.39 176.64 1j2e s GLU 495 N -2.61 0.52 0.00 3.23 2.56 -1.04 -4.98 118.70 116.38 1j2e s GLU 495 Ca -0.09 1.02 0.00 0.00 0.00 0.00 0.00 54.97 55.90 1j2e s GLU 495 Cb 0.07 0.29 0.00 0.00 2.00 0.00 0.00 34.13 36.49 1j2e s GLU 495 CO 0.84 -0.13 0.20 -0.40 -0.56 0.00 0.00 175.26 175.20 1j2e n ASP 496 N 4.42 0.39 -3.04 -1.70 3.85 -1.26 -0.39 116.55 118.81 1j2e n ASP 496 Ca -0.17 -0.69 -0.17 0.00 -0.71 0.00 0.00 54.79 53.05 1j2e n ASP 496 Cb 0.56 0.42 0.07 0.00 -1.35 0.00 0.00 41.12 40.81 1j2e n ASP 496 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1j2e n ASN 497 N -0.42 -3.92 -0.00 -1.12 3.02 -1.26 -4.83 115.26 106.73 1j2e n ASN 497 Ca 0.00 -0.48 -0.12 0.00 -0.03 0.00 0.00 54.58 53.95 1j2e n ASN 497 Cb 0.02 -4.29 -0.07 0.00 -0.61 0.00 0.00 39.78 34.83 1j2e n ASN 497 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1j2e h SER 498 N -1.93 0.08 -0.02 6.41 0.02 -1.96 -0.87 113.55 115.29 1j2e h SER 498 Ca -0.48 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.32 1j2e h SER 498 Cb 1.29 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.76 1j2e h SER 498 CO 0.44 0.23 -0.51 0.00 -1.14 0.00 0.00 176.83 175.85 1j2e h ALA 499 N 0.85 -0.87 -0.37 3.77 0.00 -1.99 0.11 119.26 120.76 1j2e h ALA 499 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1j2e h ALA 499 Cb 0.18 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1j2e h ALA 499 CO -0.00 -1.07 0.03 1.25 0.00 0.00 0.00 179.25 179.46 1j2e h LEU 500 N -0.64 -0.08 -1.16 0.00 5.85 -1.86 0.14 115.31 117.55 1j2e h LEU 500 Ca 0.02 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.96 1j2e h LEU 500 Cb 0.71 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 1j2e h LEU 500 CO -0.36 -0.01 0.60 -0.78 -0.34 0.00 0.00 178.44 177.55 1j2e h ASP 501 N 0.14 0.76 0.10 1.25 3.58 -0.47 0.29 116.42 122.07 1j2e h ASP 501 Ca 0.18 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1j2e h ASP 501 Cb 0.23 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1j2e h ASP 501 CO -0.27 0.38 -0.05 0.50 -2.88 0.00 0.00 179.24 176.92 1j2e h LYS 502 N 0.81 -0.13 0.16 0.28 3.11 0.18 -2.64 116.57 118.33 1j2e h LYS 502 Ca 0.48 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.33 1j2e h LYS 502 Cb 0.66 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 1j2e h LYS 502 CO -0.24 0.07 -0.12 0.52 -2.81 0.00 0.00 179.45 176.86 1j2e h MET 503 N -0.31 -0.27 0.00 1.90 2.86 0.54 -2.33 114.93 117.32 1j2e h MET 503 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j2e h MET 503 Cb 0.26 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1j2e h MET 503 CO 0.02 -0.18 0.16 -0.07 1.06 0.00 0.00 176.91 177.90 1j2e h LEU 504 N -0.28 0.00 -1.22 1.22 4.07 -0.50 -1.28 115.31 117.32 1j2e h LEU 504 Ca -0.01 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 1j2e h LEU 504 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1j2e h LEU 504 CO -0.00 0.00 -0.23 1.56 -1.08 0.00 0.00 178.44 178.68 1j2e h GLN 505 N 0.00 0.25 -0.75 1.13 1.08 -1.03 -2.67 115.11 113.11 1j2e h GLN 505 Ca 0.00 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1j2e h GLN 505 Cb 0.32 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1j2e h GLN 505 CO 0.00 0.48 0.05 -1.71 -0.95 0.00 0.00 178.83 176.69 1j2e n ASN 506 N -4.18 4.07 -4.08 1.46 4.05 -0.48 -4.86 115.26 111.24 1j2e n ASN 506 Ca -0.01 -2.66 -0.19 0.00 0.45 0.00 0.00 54.58 52.17 1j2e n ASN 506 Cb 0.35 -0.63 -0.14 0.00 1.23 0.00 0.00 39.78 40.58 1j2e n ASN 506 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1j2e s VAL 507 N -2.17 0.89 -1.41 3.44 1.01 -1.01 -3.60 120.40 117.55 1j2e s VAL 507 Ca 0.36 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1j2e s VAL 507 Cb 0.28 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.94 1j2e s VAL 507 CO 0.10 0.09 2.09 0.00 0.00 0.00 0.00 175.10 177.39 1j2e n GLN 508 N 2.38 3.00 -2.00 2.72 6.02 -0.56 -4.97 117.38 123.98 1j2e n GLN 508 Ca -0.16 -2.84 -0.36 0.00 -0.01 0.00 0.00 57.00 53.63 1j2e n GLN 508 Cb 0.56 -3.28 0.03 0.00 1.02 0.00 0.00 30.24 28.57 1j2e n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j2e s MET 509 N 3.04 3.06 0.84 -1.09 -1.94 -1.26 -4.54 119.30 117.41 1j2e s MET 509 Ca 0.47 1.89 -0.13 0.00 -1.71 0.00 0.00 55.69 56.22 1j2e s MET 509 Cb 0.11 -2.02 0.10 0.00 2.01 0.00 0.00 34.83 35.03 1j2e s MET 509 CO -0.05 -1.15 1.19 -1.25 -0.01 0.00 0.00 175.02 173.75 1j2e s PRO 510 N -3.20 1.69 0.25 2.03 0.04 -1.26 -4.45 135.00 130.10 1j2e s PRO 510 Ca 0.75 0.08 0.11 0.00 0.04 0.00 0.00 61.00 61.98 1j2e s PRO 510 Cb -0.32 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1j2e s PRO 510 CO 0.36 -1.78 -0.16 -1.54 0.04 0.00 0.00 177.00 173.92 1j2e s SER 511 N -4.54 3.82 -0.14 6.66 1.04 0.06 -4.94 113.70 115.66 1j2e s SER 511 Ca 0.64 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1j2e s SER 511 Cb -0.11 -0.44 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1j2e s SER 511 CO 0.50 0.05 -0.21 -0.75 0.98 0.00 0.00 173.24 173.81 1j2e s LYS 512 N -3.33 2.96 -0.21 4.02 2.20 -1.26 0.48 119.74 124.61 1j2e s LYS 512 Ca 0.28 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.99 1j2e s LYS 512 Cb -0.06 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 1j2e s LYS 512 CO 0.15 -0.02 0.06 0.21 -0.36 0.00 0.00 175.35 175.39 1j2e s LYS 513 N 0.83 3.83 -0.24 4.03 2.47 0.12 -4.92 119.74 125.86 1j2e s LYS 513 Ca -0.07 -0.41 0.03 0.00 -1.56 0.00 0.00 55.97 53.96 1j2e s LYS 513 Cb -0.15 -3.24 0.05 0.00 -1.46 0.00 0.00 37.83 33.03 1j2e s LYS 513 CO -0.02 0.09 -0.12 -1.17 0.16 0.00 0.00 175.35 174.28 1j2e s LEU 514 N 0.87 3.17 0.00 5.43 2.96 -1.26 -0.20 118.68 129.65 1j2e s LEU 514 Ca 0.03 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1j2e s LEU 514 Cb -0.14 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1j2e s LEU 514 CO 0.02 -0.16 0.00 -0.67 -1.32 0.00 0.00 176.35 174.23 1j2e n ASP 515 N 4.48 0.00 -3.82 3.68 4.64 -0.74 -5.02 116.55 119.77 1j2e n ASP 515 Ca -0.15 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.16 1j2e n ASP 515 Cb 0.44 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.46 1j2e n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1j2e s PHE 516 N -0.85 0.11 0.17 -0.67 -0.12 -1.26 -1.47 117.98 113.90 1j2e s PHE 516 Ca 0.00 -0.47 0.07 0.00 -0.05 0.00 0.00 56.93 56.48 1j2e s PHE 516 Cb 0.00 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1j2e s PHE 516 CO 0.00 -0.73 -0.13 0.96 -0.05 0.00 0.00 175.22 175.26 1j2e s ILE 517 N -3.89 1.53 -0.13 -4.49 -5.25 -0.59 -4.94 121.20 103.44 1j2e s ILE 517 Ca 0.10 -2.09 -0.01 0.00 -0.99 0.00 0.00 60.65 57.67 1j2e s ILE 517 Cb 0.02 -1.91 -0.02 0.00 2.95 0.00 0.00 42.46 43.51 1j2e s ILE 517 CO -0.05 -0.60 -0.12 -0.63 -1.79 0.00 0.00 174.94 171.76 1j2e s ILE 518 N -2.90 3.19 -0.10 8.37 1.01 -1.26 -1.06 121.20 128.45 1j2e s ILE 518 Ca 0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1j2e s ILE 518 Cb -0.01 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1j2e s ILE 518 CO 0.05 0.52 -0.02 -0.76 0.00 0.00 0.00 174.94 174.73 1j2e s LEU 519 N 0.29 0.85 -1.24 2.97 1.43 -0.15 -4.82 118.68 118.01 1j2e s LEU 519 Ca -0.09 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1j2e s LEU 519 Cb -0.15 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1j2e s LEU 519 CO 0.05 -0.18 0.90 0.59 0.23 0.00 0.00 176.35 177.94 1j2e n ASN 520 N 5.07 -1.80 0.00 2.29 4.13 -1.26 -1.44 115.26 122.25 1j2e n ASN 520 Ca -0.09 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.48 1j2e n ASN 520 Cb 0.50 -4.76 0.00 0.00 -1.54 0.00 0.00 39.78 33.98 1j2e n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1j2e n GLU 521 N -4.19 -0.67 -4.20 3.52 -0.58 -1.26 -4.95 120.64 108.31 1j2e n GLU 521 Ca -0.29 0.17 -0.35 0.00 -0.42 0.00 0.00 57.16 56.27 1j2e n GLU 521 Cb 0.67 -4.33 -0.08 0.00 -0.57 0.00 0.00 31.44 27.13 1j2e n GLU 521 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1j2e s THR 522 N -1.41 4.64 -0.15 2.62 2.01 -0.52 -5.08 115.64 117.75 1j2e s THR 522 Ca 0.00 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 1j2e s THR 522 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1j2e s THR 522 CO 0.00 0.52 0.69 -0.75 -0.69 0.00 0.00 174.62 174.39 1j2e s LYS 523 N -1.20 4.31 -0.21 4.92 2.20 -1.26 -0.97 119.74 127.52 1j2e s LYS 523 Ca 0.17 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1j2e s LYS 523 Cb -0.12 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1j2e s LYS 523 CO 0.06 -0.15 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.79 1j2e s PHE 524 N 1.56 2.16 0.67 4.03 0.08 -0.22 -4.98 117.98 121.28 1j2e s PHE 524 Ca 0.33 -1.53 -0.12 0.00 0.12 0.00 0.00 56.93 55.73 1j2e s PHE 524 Cb -0.16 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1j2e s PHE 524 CO 0.13 -0.73 1.06 -1.58 -0.10 0.00 0.00 175.22 174.01 1j2e s TRP 525 N 1.48 3.01 0.12 0.36 0.52 -1.26 -1.54 118.94 121.64 1j2e s TRP 525 Ca -0.03 1.46 -0.23 0.00 0.02 0.00 0.00 56.10 57.32 1j2e s TRP 525 Cb -0.18 -2.94 0.06 0.00 -1.15 0.00 0.00 33.47 29.27 1j2e s TRP 525 CO -0.07 -1.26 0.57 1.52 0.02 0.00 0.00 176.95 177.73 1j2e s TYR 526 N -2.84 -0.50 0.12 -1.98 -0.85 -0.54 -2.03 117.35 108.73 1j2e s TYR 526 Ca 0.60 0.36 0.04 0.00 -0.52 0.00 0.00 57.07 57.55 1j2e s TYR 526 Cb -0.15 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 1j2e s TYR 526 CO 0.49 -0.79 -0.10 1.14 -1.52 0.00 0.00 175.55 174.77 1j2e s GLN 527 N -3.39 0.94 -0.03 -3.49 -2.07 -0.88 -1.79 119.66 108.94 1j2e s GLN 527 Ca -0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 55.36 52.25 1j2e s GLN 527 Cb -0.00 -0.58 0.03 0.00 -1.09 0.00 0.00 33.01 31.36 1j2e s GLN 527 CO -0.10 0.08 0.01 -1.64 -1.32 0.00 0.00 175.29 172.33 1j2e s MET 528 N -3.19 0.21 -0.71 9.60 -1.94 0.72 -2.18 119.30 121.82 1j2e s MET 528 Ca 0.10 0.12 -0.18 0.00 -1.71 0.00 0.00 55.69 54.02 1j2e s MET 528 Cb -0.01 -0.44 0.13 0.00 2.01 0.00 0.00 34.83 36.52 1j2e s MET 528 CO 0.00 -0.16 0.81 0.42 -0.01 0.00 0.00 175.02 176.09 1j2e s ILE 529 N 1.11 4.93 0.10 2.53 -1.09 0.38 -0.70 121.20 128.46 1j2e s ILE 529 Ca -0.09 -1.37 -0.22 0.00 -2.23 0.00 0.00 60.65 56.75 1j2e s ILE 529 Cb -0.13 -4.55 -0.07 0.00 -1.58 0.00 0.00 42.46 36.12 1j2e s ILE 529 CO -0.02 -1.20 0.66 -0.76 -1.23 0.00 0.00 174.94 172.39 1j2e s LEU 530 N 2.27 4.54 0.97 2.97 1.43 0.18 -2.49 118.68 128.55 1j2e s LEU 530 Ca 0.17 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 1j2e s LEU 530 Cb -0.17 -3.06 0.18 0.00 0.03 0.00 0.00 46.19 43.16 1j2e s LEU 530 CO 0.00 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 1j2e s PRO 531 N -1.00 0.59 0.73 1.29 0.04 -1.26 -0.76 135.00 134.62 1j2e s PRO 531 Ca 0.32 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1j2e s PRO 531 Cb -0.21 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.66 1j2e s PRO 531 CO 0.22 -2.80 1.24 -2.30 0.04 0.00 0.00 177.00 173.40 1j2e n PRO 532 N -4.31 0.64 -2.44 0.56 -0.02 -1.26 -2.43 135.00 125.74 1j2e n PRO 532 Ca 0.08 0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 1j2e n PRO 532 Cb 0.53 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1j2e n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1j2e n HIS 533 N -2.61 -1.45 -1.59 6.00 8.25 -1.26 -4.81 115.22 117.75 1j2e n HIS 533 Ca 0.15 0.00 -0.52 0.00 -0.26 0.00 0.00 57.72 57.09 1j2e n HIS 533 Cb 0.49 -2.63 -0.06 0.00 1.12 0.00 0.00 29.99 28.91 1j2e n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j2e n PHE 534 N -3.32 1.47 -4.04 4.41 7.35 -1.02 -4.96 117.46 117.35 1j2e n PHE 534 Ca -0.14 0.65 -0.31 0.00 -0.76 0.00 0.00 57.45 56.90 1j2e n PHE 534 Cb 0.60 -2.32 -0.16 0.00 0.35 0.00 0.00 39.48 37.95 1j2e n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1j2e s ASP 535 N 0.41 2.87 0.00 -2.13 -1.08 -1.26 -4.99 116.67 110.49 1j2e s ASP 535 Ca 0.83 -0.57 0.14 0.00 -0.52 0.00 0.00 52.55 52.43 1j2e s ASP 535 Cb -0.95 -1.26 0.77 0.00 -1.46 0.00 0.00 42.92 40.03 1j2e s ASP 535 CO 0.48 -0.05 1.28 0.29 0.52 0.00 0.00 175.17 177.68 1j2e n LYS 536 N 4.73 0.35 0.06 4.34 5.02 -1.26 -2.06 118.16 129.34 1j2e n LYS 536 Ca -0.18 0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.15 1j2e n LYS 536 Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1j2e n LYS 536 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j2e h SER 537 N 0.00 0.00 -2.87 4.39 4.64 -1.94 -3.41 113.55 114.36 1j2e h SER 537 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1j2e h SER 537 Cb 0.04 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1j2e h SER 537 CO 0.00 0.68 0.01 -0.54 -0.87 0.00 0.00 176.83 176.11 1j2e s LYS 538 N -2.85 2.70 -0.18 4.77 1.02 -0.87 -5.03 119.74 119.29 1j2e s LYS 538 Ca -0.01 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 1j2e s LYS 538 Cb 0.08 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1j2e s LYS 538 CO 0.80 -0.65 -0.03 0.15 -0.92 0.00 0.00 175.35 174.70 1j2e s LYS 539 N -4.79 3.58 0.04 1.68 -0.14 -1.26 -4.49 119.74 114.36 1j2e s LYS 539 Ca 0.55 -0.55 0.04 0.00 -1.36 0.00 0.00 55.97 54.65 1j2e s LYS 539 Cb -0.10 -2.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 1j2e s LYS 539 CO 0.40 0.08 -0.05 0.71 -0.76 0.00 0.00 175.35 175.73 1j2e s TYR 540 N 0.77 2.90 0.50 3.18 1.51 -0.78 -4.58 117.35 120.85 1j2e s TYR 540 Ca -0.01 -0.05 -0.21 0.00 -1.01 0.00 0.00 57.07 55.79 1j2e s TYR 540 Cb -0.14 -1.56 -0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1j2e s TYR 540 CO 0.02 0.41 1.11 -1.25 -1.11 0.00 0.00 175.55 174.73 1j2e s PRO 541 N -1.78 3.61 -0.07 -1.71 0.04 -1.26 -0.95 135.00 132.89 1j2e s PRO 541 Ca 0.20 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.85 1j2e s PRO 541 Cb -0.11 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1j2e s PRO 541 CO 0.11 -0.63 -0.20 -1.17 0.04 0.00 0.00 177.00 175.16 1j2e s LEU 542 N -3.47 1.94 -0.23 -3.56 0.20 -0.12 -2.23 118.68 111.21 1j2e s LEU 542 Ca 0.68 -0.45 -0.04 0.00 0.69 0.00 0.00 54.13 55.01 1j2e s LEU 542 Cb -0.23 -1.17 -0.01 0.00 -0.43 0.00 0.00 46.19 44.35 1j2e s LEU 542 CO 0.27 0.14 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.22 1j2e s LEU 543 N 0.29 3.07 -0.58 -0.68 2.96 -0.36 -0.15 118.68 123.23 1j2e s LEU 543 Ca -0.13 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.11 1j2e s LEU 543 Cb -0.16 -1.76 0.06 0.00 0.50 0.00 0.00 46.19 44.83 1j2e s LEU 543 CO 0.06 -0.05 0.83 -0.22 -1.32 0.00 0.00 176.35 175.65 1j2e s LEU 544 N 1.48 4.57 -0.32 -0.68 2.96 0.48 -0.97 118.68 126.21 1j2e s LEU 544 Ca 0.05 -0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 1j2e s LEU 544 Cb -0.15 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.01 1j2e s LEU 544 CO -0.02 -1.19 1.26 -0.62 -1.32 0.00 0.00 176.35 174.46 1j2e s ASP 545 N 3.15 6.69 0.07 3.68 -1.08 0.30 -1.72 116.67 127.76 1j2e s ASP 545 Ca 0.21 1.12 0.07 0.00 -0.52 0.00 0.00 52.55 53.44 1j2e s ASP 545 Cb -0.17 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 1j2e s ASP 545 CO 0.13 -1.08 -0.20 -0.69 0.52 0.00 0.00 175.17 173.85 1j2e s VAL 546 N 4.33 1.64 0.00 1.11 1.01 0.23 -4.21 120.40 124.51 1j2e s VAL 546 Ca 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1j2e s VAL 546 Cb -0.15 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1j2e s VAL 546 CO 0.23 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1j2e n TYR 547 N 1.56 0.00 -1.73 5.22 4.19 -1.26 -4.05 117.16 121.10 1j2e n TYR 547 Ca -0.18 0.00 -0.18 0.00 3.31 0.00 0.00 57.90 60.85 1j2e n TYR 547 Cb 0.53 0.20 -0.06 0.00 0.49 0.00 0.00 39.34 40.50 1j2e n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1j2e n ALA 548 N -1.74 -0.33 -1.13 2.98 0.00 -1.26 -3.39 120.51 115.64 1j2e n ALA 548 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 1j2e n ALA 548 Cb 0.00 -1.84 0.18 0.00 0.00 0.00 0.00 19.45 17.79 1j2e n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j2e s GLY 549 N -2.65 1.56 0.30 0.00 0.00 -1.26 -4.84 107.32 100.42 1j2e s GLY 549 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 1j2e s GLY 549 CO 0.00 0.26 1.58 -4.14 0.00 0.00 0.00 173.10 170.80 1j2e s PRO 550 N -4.94 4.12 -1.78 2.90 0.02 -1.26 -1.93 135.00 132.13 1j2e s PRO 550 Ca 0.66 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.25 1j2e s PRO 550 Cb -0.19 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1j2e s PRO 550 CO 0.58 -0.62 0.00 0.00 -0.33 0.00 0.00 177.00 176.63 1j2e n SER 552 N -1.55 0.68 -3.15 0.00 3.41 -0.81 -3.94 113.62 108.26 1j2e n SER 552 Ca -0.22 -1.78 0.05 0.00 -0.26 0.00 0.00 58.87 56.66 1j2e n SER 552 Cb 0.66 -0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1j2e n SER 552 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1j2e s GLN 553 N -5.44 0.41 0.01 4.33 0.74 -1.26 0.22 119.66 118.67 1j2e s GLN 553 Ca 0.69 0.48 0.22 0.00 0.05 0.00 0.00 55.36 56.80 1j2e s GLN 553 Cb -0.03 0.23 -0.15 0.00 1.10 0.00 0.00 33.01 34.17 1j2e s GLN 553 CO 0.47 -0.68 0.83 1.63 -0.55 0.00 0.00 175.29 176.99 1j2e n LYS 554 N 5.34 0.30 -3.65 1.67 4.76 -1.26 -4.83 118.16 120.49 1j2e n LYS 554 Ca 0.04 -0.06 -0.39 0.00 -2.87 0.00 0.00 58.31 55.03 1j2e n LYS 554 Cb 0.55 -1.54 -0.12 0.00 -1.84 0.00 0.00 35.03 32.08 1j2e n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j2e s ALA 555 N -3.23 3.21 0.03 7.82 0.00 -1.26 -4.81 121.76 123.53 1j2e s ALA 555 Ca 0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 1j2e s ALA 555 Cb 0.15 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1j2e s ALA 555 CO 0.85 -1.26 0.06 -0.40 0.00 0.00 0.00 175.76 175.01 1j2e n ASP 556 N 4.94 -0.17 -1.34 0.00 5.68 -1.26 -4.36 116.55 120.05 1j2e n ASP 556 Ca -0.12 -1.16 0.09 0.00 -0.50 0.00 0.00 54.79 53.09 1j2e n ASP 556 Cb 0.46 0.30 0.31 0.00 -1.14 0.00 0.00 41.12 41.05 1j2e n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1j2e n THR 557 N -0.05 1.66 -2.60 2.12 -2.24 -0.84 -4.94 114.28 107.39 1j2e n THR 557 Ca -0.00 -1.22 -0.40 0.00 -2.27 0.00 0.00 64.05 60.15 1j2e n THR 557 Cb 0.05 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1j2e n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1j2e s VAL 558 N -1.72 3.85 -0.08 2.28 1.01 -1.26 -1.96 120.40 122.51 1j2e s VAL 558 Ca 0.46 1.78 -0.21 0.00 0.00 0.00 0.00 61.98 64.01 1j2e s VAL 558 Cb 0.29 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1j2e s VAL 558 CO 0.23 0.39 0.59 0.12 0.00 0.00 0.00 175.10 176.43 1j2e s PHE 559 N -0.91 3.56 0.04 5.22 2.19 0.62 -4.91 117.98 123.79 1j2e s PHE 559 Ca 0.44 1.08 0.02 0.00 0.33 0.00 0.00 56.93 58.81 1j2e s PHE 559 Cb -0.29 -2.67 -0.03 0.00 -1.31 0.00 0.00 43.02 38.73 1j2e s PHE 559 CO 0.36 0.16 -0.07 1.03 1.83 0.00 0.00 175.22 178.53 1j2e s ARG 560 N 0.58 0.53 -0.47 10.12 0.52 -1.26 -4.90 118.95 124.07 1j2e s ARG 560 Ca 0.32 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1j2e s ARG 560 Cb -0.17 -0.23 0.12 0.00 0.52 0.00 0.00 34.95 35.19 1j2e s ARG 560 CO 0.15 0.03 0.20 -0.51 0.02 0.00 0.00 175.30 175.19 1j2e s LEU 561 N -1.69 4.37 0.00 2.53 1.43 -1.26 -4.85 118.68 119.21 1j2e s LEU 561 Ca -0.09 -2.78 0.00 0.00 -1.03 0.00 0.00 54.13 50.23 1j2e s LEU 561 Cb -0.09 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1j2e s LEU 561 CO -0.00 -0.27 0.00 -0.46 0.23 0.00 0.00 176.35 175.85 1j2e n ASN 562 N 3.42 0.45 -0.21 2.29 2.04 -1.26 -5.00 115.26 116.98 1j2e n ASN 562 Ca 0.05 -0.30 0.00 0.00 -0.44 0.00 0.00 54.58 53.89 1j2e n ASN 562 Cb 0.35 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 37.84 1j2e n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 1j2e h TRP 563 N 0.30 0.94 -0.80 -2.53 7.01 -1.97 -2.13 115.95 116.77 1j2e h TRP 563 Ca 0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 1j2e h TRP 563 Cb 0.00 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 26.71 1j2e h TRP 563 CO 0.00 0.60 0.35 0.00 -2.79 0.00 0.00 178.44 176.60 1j2e h ALA 564 N 1.52 1.11 -0.52 2.65 0.00 -1.98 -1.36 119.26 120.68 1j2e h ALA 564 Ca 0.27 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1j2e h ALA 564 Cb -0.10 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.29 1j2e h ALA 564 CO -0.06 0.65 0.05 1.15 0.00 0.00 0.00 179.25 181.04 1j2e h THR 565 N 1.15 0.64 -0.36 0.00 2.02 -1.71 -0.85 112.91 113.80 1j2e h THR 565 Ca 0.27 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.30 1j2e h THR 565 Cb 0.17 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1j2e h THR 565 CO -0.03 0.03 -0.15 0.22 0.37 0.00 0.00 175.52 175.96 1j2e h TYR 566 N 0.17 0.84 -0.44 3.16 5.03 -1.42 0.32 116.97 124.63 1j2e h TYR 566 Ca 0.26 -0.20 0.04 0.00 2.58 0.00 0.00 58.73 61.41 1j2e h TYR 566 Cb 0.39 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 1j2e h TYR 566 CO -0.28 0.92 0.29 -0.07 -1.32 0.00 0.00 178.16 177.70 1j2e h LEU 567 N 0.52 0.38 0.09 2.82 3.38 -0.42 0.80 115.31 122.89 1j2e h LEU 567 Ca 0.08 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 1j2e h LEU 567 Cb 0.69 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1j2e h LEU 567 CO 0.05 0.26 -1.32 0.00 0.09 0.00 0.00 178.44 177.52 1j2e h ALA 568 N 1.75 0.19 0.04 1.53 0.00 -1.11 0.36 119.26 122.03 1j2e h ALA 568 Ca 0.18 -1.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 1j2e h ALA 568 Cb 0.16 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j2e h ALA 568 CO -0.04 0.77 -0.02 1.03 0.00 0.00 0.00 179.25 180.99 1j2e h SER 569 N -0.44 -0.05 0.00 0.00 0.87 -0.70 -2.62 113.55 110.61 1j2e h SER 569 Ca -0.30 -0.20 -0.25 0.00 -1.23 0.00 0.00 61.79 59.82 1j2e h SER 569 Cb 1.65 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.59 1j2e h SER 569 CO 0.01 0.17 -1.46 0.41 -0.53 0.00 0.00 176.83 175.43 1j2e n THR 570 N -5.01 1.52 1.84 2.23 -1.04 0.25 -4.41 114.28 109.65 1j2e n THR 570 Ca -0.08 -0.07 0.13 0.00 -2.04 0.00 0.00 64.05 61.98 1j2e n THR 570 Cb 0.14 -2.07 0.67 0.00 -1.82 0.00 0.00 70.33 67.26 1j2e n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j2e n GLU 571 N -4.42 1.18 -3.97 -2.82 -0.58 -1.16 -4.92 120.64 103.95 1j2e n GLU 571 Ca -0.33 -0.26 -0.31 0.00 -0.42 0.00 0.00 57.16 55.84 1j2e n GLU 571 Cb 0.67 -1.41 0.01 0.00 -0.57 0.00 0.00 31.44 30.15 1j2e n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j2e n ASN 572 N -0.61 -4.21 -4.75 1.62 5.03 -0.92 -4.90 115.26 106.53 1j2e n ASN 572 Ca 0.19 -0.84 -0.36 0.00 0.87 0.00 0.00 54.58 54.44 1j2e n ASN 572 Cb 0.15 -3.63 -0.08 0.00 -1.02 0.00 0.00 39.78 35.20 1j2e n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1j2e s ILE 573 N -3.33 4.83 -0.43 2.41 1.01 0.12 -4.52 121.20 121.28 1j2e s ILE 573 Ca 0.63 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 61.02 1j2e s ILE 573 Cb -0.32 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1j2e s ILE 573 CO 0.85 0.59 0.69 -0.63 0.00 0.00 0.00 174.94 176.44 1j2e s ILE 574 N -0.72 4.77 -0.32 2.92 1.01 -0.95 -3.18 121.20 124.74 1j2e s ILE 574 Ca 0.12 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 1j2e s ILE 574 Cb -0.12 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 1j2e s ILE 574 CO 0.03 -0.61 0.44 -0.69 0.00 0.00 0.00 174.94 174.10 1j2e s VAL 575 N 2.96 5.10 0.22 2.92 1.01 -1.04 -1.22 120.40 130.36 1j2e s VAL 575 Ca 0.25 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1j2e s VAL 575 Cb -0.13 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1j2e s VAL 575 CO 0.20 -0.07 -0.13 0.00 0.00 0.00 0.00 175.10 175.10 1j2e s ALA 576 N 2.20 2.85 0.02 5.51 0.00 -0.14 -0.47 121.76 131.73 1j2e s ALA 576 Ca 0.16 -1.63 -0.00 0.00 0.00 0.00 0.00 51.96 50.49 1j2e s ALA 576 Cb -0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1j2e s ALA 576 CO 0.12 0.38 -0.02 -1.12 0.00 0.00 0.00 175.76 175.12 1j2e s SER 577 N -3.09 0.21 -0.01 0.00 0.01 -0.93 0.11 113.70 109.99 1j2e s SER 577 Ca 0.26 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1j2e s SER 577 Cb -0.07 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1j2e s SER 577 CO 0.15 -0.27 0.02 0.12 0.41 0.00 0.00 173.24 173.67 1j2e s PHE 578 N -1.28 0.03 -0.66 2.43 5.36 -1.26 -2.08 117.98 120.51 1j2e s PHE 578 Ca -0.14 0.08 -0.14 0.00 -0.96 0.00 0.00 56.93 55.78 1j2e s PHE 578 Cb -0.09 -0.16 0.17 0.00 -0.34 0.00 0.00 43.02 42.60 1j2e s PHE 578 CO -0.01 -0.06 0.59 -0.51 -1.46 0.00 0.00 175.22 173.77 1j2e s ASP 579 N 0.70 6.32 0.00 6.13 1.01 -0.86 -4.84 116.67 125.13 1j2e s ASP 579 Ca -0.06 -2.25 0.00 0.00 0.71 0.00 0.00 52.55 50.95 1j2e s ASP 579 Cb -0.09 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.68 1j2e s ASP 579 CO -0.02 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.28 1j2e n GLY 580 N 4.57 1.26 3.74 0.21 0.00 -1.26 -4.28 105.19 109.42 1j2e n GLY 580 Ca -0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1j2e n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j2e n ARG 581 N 0.00 2.45 0.00 1.61 1.74 -1.26 -1.97 116.66 119.23 1j2e n ARG 581 Ca 0.00 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1j2e n ARG 581 Cb 0.00 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 1j2e n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j2e n GLY 582 N 1.00 2.74 3.71 -0.13 0.00 0.39 -4.21 105.19 108.67 1j2e n GLY 582 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1j2e n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j2e s SER 583 N -1.24 3.10 0.44 1.61 1.04 -0.83 0.81 113.70 118.63 1j2e s SER 583 Ca 0.00 1.30 0.05 0.00 0.48 0.00 0.00 55.95 57.78 1j2e s SER 583 Cb 0.00 -1.97 0.05 0.00 0.10 0.00 0.00 66.02 64.20 1j2e s SER 583 CO 0.00 -2.85 0.41 0.61 0.98 0.00 0.00 173.24 172.39 1j2e n GLY 584 N -1.22 2.56 2.57 7.32 0.00 0.13 -3.71 105.19 112.85 1j2e n GLY 584 Ca 0.06 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.62 1j2e n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j2e n TYR 585 N -1.65 -1.27 -1.88 1.61 4.01 -1.26 -4.85 117.16 111.87 1j2e n TYR 585 Ca 0.03 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1j2e n TYR 585 Cb 0.49 -4.11 0.00 0.00 -0.31 0.00 0.00 39.34 35.41 1j2e n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1j2e n GLN 586 N -3.29 0.00 0.00 -0.72 6.02 -1.26 -4.60 117.38 113.53 1j2e n GLN 586 Ca -0.21 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.98 1j2e n GLN 586 Cb 0.67 -0.43 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1j2e n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j2e n GLY 587 N 0.00 1.79 0.12 1.08 0.00 -1.26 -4.67 105.19 102.25 1j2e n GLY 587 Ca 0.00 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.33 1j2e n GLY 587 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2e n ASP 588 N -0.16 0.68 -0.17 1.61 10.43 0.20 -2.46 116.55 126.67 1j2e n ASP 588 Ca 0.00 0.63 -0.05 0.00 2.57 0.00 0.00 54.79 57.94 1j2e n ASP 588 Cb 0.00 -0.79 0.12 0.00 1.84 0.00 0.00 41.12 42.29 1j2e n ASP 588 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1j2e h LYS 589 N 0.00 0.94 0.13 -1.24 3.64 -1.85 0.15 116.57 118.34 1j2e h LYS 589 Ca 0.00 -0.24 -0.30 0.00 -1.27 0.00 0.00 60.65 58.84 1j2e h LYS 589 Cb 0.46 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1j2e h LYS 589 CO 0.00 0.88 -1.53 0.82 -2.27 0.00 0.00 179.45 177.35 1j2e h ILE 590 N 0.89 0.99 -0.35 2.00 2.04 -1.81 -3.28 117.51 117.98 1j2e h ILE 590 Ca 0.18 -2.42 -0.13 0.00 1.00 0.00 0.00 64.86 63.49 1j2e h ILE 590 Cb 0.41 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1j2e h ILE 590 CO 0.01 0.75 -0.30 -0.03 0.00 0.00 0.00 178.15 178.58 1j2e h MET 591 N -0.19 0.76 -0.29 2.37 4.05 -1.47 1.12 114.93 121.29 1j2e h MET 591 Ca -0.32 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 58.76 1j2e h MET 591 Cb 1.86 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.64 1j2e h MET 591 CO 0.09 0.96 0.00 0.72 0.23 0.00 0.00 176.91 178.91 1j2e n HIS 592 N -4.08 0.38 0.16 1.39 8.25 0.04 -4.00 115.22 117.35 1j2e n HIS 592 Ca -0.01 -0.19 0.04 0.00 -0.26 0.00 0.00 57.72 57.30 1j2e n HIS 592 Cb 0.48 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.04 1j2e n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j2e h ALA 593 N 3.74 1.64 -0.02 -1.41 0.00 -1.58 -1.97 119.26 119.66 1j2e h ALA 593 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j2e h ALA 593 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j2e h ALA 593 CO 0.00 0.27 0.00 0.44 0.00 0.00 0.00 179.25 179.96 1j2e n ILE 594 N -4.33 0.01 -1.61 0.00 -5.35 -1.26 -4.89 119.36 101.93 1j2e n ILE 594 Ca -0.01 -0.24 -0.59 0.00 -0.27 0.00 0.00 62.75 61.64 1j2e n ILE 594 Cb 0.23 0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 38.46 1j2e n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1j2e n ASN 595 N 0.09 1.84 -0.34 7.28 5.15 -0.74 0.43 115.26 128.96 1j2e n ASN 595 Ca 0.19 0.94 -0.04 0.00 -0.60 0.00 0.00 54.58 55.07 1j2e n ASN 595 Cb 0.33 -1.06 -0.02 0.00 -0.53 0.00 0.00 39.78 38.50 1j2e n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1j2e n ARG 596 N 5.83 -1.32 -2.64 1.20 1.74 0.26 -4.87 116.66 116.85 1j2e n ARG 596 Ca 0.34 0.56 -0.11 0.00 -0.77 0.00 0.00 57.85 57.88 1j2e n ARG 596 Cb 0.07 -4.66 0.03 0.00 -1.02 0.00 0.00 32.46 26.88 1j2e n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j2e n ARG 597 N -0.85 1.34 -1.97 5.56 5.12 0.17 -4.90 116.66 121.13 1j2e n ARG 597 Ca -0.04 -3.36 -0.40 0.00 -1.93 0.00 0.00 57.85 52.12 1j2e n ARG 597 Cb 0.40 -1.33 -0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1j2e n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1j2e s LEU 598 N -3.16 4.23 0.00 0.55 1.02 -1.23 -3.02 118.68 117.07 1j2e s LEU 598 Ca 0.29 2.77 0.00 0.00 0.02 0.00 0.00 54.13 57.21 1j2e s LEU 598 Cb 0.45 -3.85 0.00 0.00 0.02 0.00 0.00 46.19 42.82 1j2e s LEU 598 CO 0.02 -0.89 0.00 0.61 0.02 0.00 0.00 176.35 176.11 1j2e n GLY 599 N 0.63 0.70 0.00 -3.19 0.00 -1.26 -4.84 105.19 97.24 1j2e n GLY 599 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1j2e n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j2e n THR 600 N -2.52 0.00 -0.34 2.61 -2.24 -1.17 -4.76 114.28 105.86 1j2e n THR 600 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1j2e n THR 600 Cb 0.00 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.52 1j2e n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1j2e h PHE 601 N 0.00 1.01 0.00 4.78 0.05 -1.94 0.31 116.94 121.15 1j2e h PHE 601 Ca 0.00 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 1j2e h PHE 601 Cb 0.00 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.65 1j2e h PHE 601 CO 0.00 0.25 -0.09 1.05 -0.18 0.00 0.00 178.31 179.33 1j2e h GLU 602 N 0.76 0.00 0.03 1.51 9.09 -1.90 0.25 114.58 124.31 1j2e h GLU 602 Ca 0.54 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.88 1j2e h GLU 602 Cb 0.80 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.89 1j2e h GLU 602 CO -0.37 0.09 -0.37 0.28 0.05 0.00 0.00 179.01 178.69 1j2e h VAL 603 N 0.00 1.59 -0.54 -1.06 2.07 -0.76 -3.21 116.25 114.34 1j2e h VAL 603 Ca -0.00 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 1j2e h VAL 603 Cb 0.21 3.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 1j2e h VAL 603 CO 0.01 0.59 0.29 -0.33 0.02 0.00 0.00 177.57 178.15 1j2e h GLU 604 N -0.87 0.76 -0.18 1.57 4.39 -0.86 -2.53 114.58 116.86 1j2e h GLU 604 Ca -0.09 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 1j2e h GLU 604 Cb 1.18 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1j2e h GLU 604 CO -0.00 0.59 0.11 -0.44 -1.16 0.00 0.00 179.01 178.10 1j2e h ASP 605 N 0.72 0.20 -0.36 1.42 3.45 -0.64 0.53 116.42 121.75 1j2e h ASP 605 Ca 0.19 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.55 1j2e h ASP 605 Cb 0.05 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1j2e h ASP 605 CO -0.03 0.16 -0.12 1.56 -1.57 0.00 0.00 179.24 179.23 1j2e h GLN 606 N 0.24 0.72 -0.21 3.56 1.08 -1.46 0.64 115.11 119.68 1j2e h GLN 606 Ca 0.06 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 1j2e h GLN 606 Cb -0.01 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1j2e h GLN 606 CO -0.01 0.89 0.06 0.82 -0.95 0.00 0.00 178.83 179.64 1j2e h ILE 607 N 0.51 1.19 0.00 2.54 2.04 -0.78 -1.58 117.51 121.43 1j2e h ILE 607 Ca 0.09 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1j2e h ILE 607 Cb 0.65 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1j2e h ILE 607 CO 0.04 0.20 -0.06 -0.08 0.00 0.00 0.00 178.15 178.25 1j2e h GLU 608 N 0.16 0.00 -0.21 2.37 4.57 0.11 -0.75 114.58 120.84 1j2e h GLU 608 Ca 0.07 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1j2e h GLU 608 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1j2e h GLU 608 CO -0.00 0.06 -0.06 0.00 -1.18 0.00 0.00 179.01 177.83 1j2e h ALA 609 N 1.94 0.29 -0.36 2.92 0.00 0.07 -2.28 119.26 121.84 1j2e h ALA 609 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1j2e h ALA 609 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1j2e h ALA 609 CO 0.01 0.07 0.11 0.00 0.00 0.00 0.00 179.25 179.44 1j2e h ALA 610 N 0.74 0.41 -0.18 0.00 0.00 -0.40 -0.69 119.26 119.14 1j2e h ALA 610 Ca 0.05 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j2e h ALA 610 Cb 0.51 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1j2e h ALA 610 CO 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 179.25 178.94 1j2e h ARG 611 N 0.25 0.00 -0.59 0.00 3.08 -1.37 -0.32 114.38 115.44 1j2e h ARG 611 Ca 0.17 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.31 1j2e h ARG 611 Cb 0.16 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1j2e h ARG 611 CO -0.19 0.00 0.22 1.96 -1.07 0.00 0.00 179.97 180.89 1j2e h GLN 612 N 0.00 0.39 -0.31 0.04 1.08 -0.79 0.27 115.11 115.80 1j2e h GLN 612 Ca 0.09 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1j2e h GLN 612 Cb 0.13 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1j2e h GLN 612 CO -0.18 0.26 -0.01 0.74 -0.95 0.00 0.00 178.83 178.68 1j2e h PHE 613 N 0.40 0.49 -0.50 2.96 0.04 -0.58 -1.20 116.94 118.56 1j2e h PHE 613 Ca 0.30 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 1j2e h PHE 613 Cb 0.36 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1j2e h PHE 613 CO -0.17 0.50 -0.11 0.77 -0.60 0.00 0.00 178.31 178.70 1j2e h SER 614 N 0.46 0.92 0.39 2.17 0.02 0.82 -1.60 113.55 116.73 1j2e h SER 614 Ca 0.10 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1j2e h SER 614 Cb 0.32 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1j2e h SER 614 CO 0.01 1.04 0.00 0.11 -1.14 0.00 0.00 176.83 176.85 1j2e h LYS 615 N 0.83 0.00 0.00 3.45 1.57 0.62 -2.41 116.57 120.62 1j2e h LYS 615 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1j2e h LYS 615 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1j2e h LYS 615 CO 0.04 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.59 1j2e n MET 616 N -3.05 0.66 -0.17 3.15 2.81 -0.60 -4.89 117.12 115.03 1j2e n MET 616 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1j2e n MET 616 Cb 0.16 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1j2e n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j2e n GLY 617 N 0.25 0.85 1.33 3.03 0.00 -0.91 -4.80 105.19 104.94 1j2e n GLY 617 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1j2e n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1j2e n PHE 618 N -2.00 1.39 -4.61 1.61 1.16 -1.26 -4.80 117.46 108.95 1j2e n PHE 618 Ca 0.00 -1.81 -0.23 0.00 -1.87 0.00 0.00 57.45 53.54 1j2e n PHE 618 Cb 0.00 -0.51 -0.16 0.00 -1.61 0.00 0.00 39.48 37.20 1j2e n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1j2e s VAL 619 N -3.59 1.11 -0.63 1.97 1.01 -1.26 -1.87 120.40 117.13 1j2e s VAL 619 Ca 0.46 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 1j2e s VAL 619 Cb 0.41 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1j2e s VAL 619 CO -0.01 0.33 1.39 -0.62 0.00 0.00 0.00 175.10 176.20 1j2e s ASP 620 N 0.11 6.08 0.17 3.32 -1.08 -0.12 -4.69 116.67 120.46 1j2e s ASP 620 Ca -0.03 0.03 0.09 0.00 -0.52 0.00 0.00 52.55 52.12 1j2e s ASP 620 Cb -0.10 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.30 1j2e s ASP 620 CO 0.01 -1.80 1.19 -0.46 0.52 0.00 0.00 175.17 174.64 1j2e n ASN 621 N 9.73 0.23 0.06 -0.34 0.23 -1.26 -0.95 115.26 122.97 1j2e n ASN 621 Ca 0.10 0.53 0.10 0.00 -0.53 0.00 0.00 54.58 54.78 1j2e n ASN 621 Cb 0.49 -0.53 -0.06 0.00 -2.08 0.00 0.00 39.78 37.61 1j2e n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1j2e n LYS 622 N -1.79 0.62 -3.20 -3.83 5.02 -1.26 -4.53 118.16 109.18 1j2e n LYS 622 Ca -0.01 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 1j2e n LYS 622 Cb 0.15 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 1j2e n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j2e n ARG 623 N -2.57 2.98 -3.85 1.97 1.74 -0.13 -4.77 116.66 112.04 1j2e n ARG 623 Ca -0.02 -4.74 -0.36 0.00 -0.77 0.00 0.00 57.85 51.96 1j2e n ARG 623 Cb 0.58 -2.27 -0.13 0.00 -1.02 0.00 0.00 32.46 29.61 1j2e n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j2e s ILE 624 N -3.27 3.55 0.35 0.55 1.01 -1.26 -0.94 121.20 121.19 1j2e s ILE 624 Ca 0.43 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.47 1j2e s ILE 624 Cb 0.19 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1j2e s ILE 624 CO -0.05 0.22 0.13 0.00 0.00 0.00 0.00 174.94 175.24 1j2e s ALA 625 N 1.46 3.47 -0.00 9.38 0.00 0.79 -0.37 121.76 136.48 1j2e s ALA 625 Ca 0.03 -1.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.08 1j2e s ALA 625 Cb -0.16 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1j2e s ALA 625 CO -0.01 0.01 0.04 -1.50 0.00 0.00 0.00 175.76 174.30 1j2e s ILE 626 N -2.46 0.06 -0.07 0.00 2.07 -0.65 -0.39 121.20 119.76 1j2e s ILE 626 Ca 0.38 -0.46 -0.27 0.00 -1.41 0.00 0.00 60.65 58.89 1j2e s ILE 626 Cb -0.01 -0.22 0.06 0.00 0.13 0.00 0.00 42.46 42.42 1j2e s ILE 626 CO 0.22 -0.25 0.60 -1.66 -1.91 0.00 0.00 174.94 171.94 1j2e s TRP 627 N -0.78 -0.57 0.09 3.50 1.48 -0.70 -0.61 118.94 121.35 1j2e s TRP 627 Ca -0.09 1.05 -0.26 0.00 -1.06 0.00 0.00 56.10 55.75 1j2e s TRP 627 Cb -0.05 0.32 0.08 0.00 -1.16 0.00 0.00 33.47 32.66 1j2e s TRP 627 CO -0.00 -0.53 0.76 0.20 -4.06 0.00 0.00 176.95 173.33 1j2e s GLY 628 N -0.99 -0.49 0.05 3.67 0.00 -0.75 -0.60 107.32 108.21 1j2e s GLY 628 Ca -0.10 0.64 0.07 0.00 0.00 0.00 0.00 44.72 45.34 1j2e s GLY 628 CO 0.08 0.21 -0.19 0.86 0.00 0.00 0.00 173.10 174.06 1j2e s TRP 629 N -3.45 2.54 0.00 1.90 -0.11 -1.26 -1.96 118.94 116.61 1j2e s TRP 629 Ca 0.04 -0.27 0.00 0.00 1.22 0.00 0.00 56.10 57.10 1j2e s TRP 629 Cb -0.01 -1.44 0.00 0.00 -1.50 0.00 0.00 33.47 30.52 1j2e s TRP 629 CO -0.09 0.27 0.00 0.43 -4.62 0.00 0.00 176.95 172.94 1j2e n SER 630 N 1.45 0.00 0.25 5.86 7.64 -0.85 0.93 113.62 128.90 1j2e n SER 630 Ca -0.16 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.80 1j2e n SER 630 Cb 0.52 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.34 1j2e n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1j2e h TYR 631 N 0.00 0.00 -0.36 1.43 5.03 -1.85 0.21 116.97 121.43 1j2e h TYR 631 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1j2e h TYR 631 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1j2e h TYR 631 CO 0.00 0.05 0.20 0.78 -1.32 0.00 0.00 178.16 177.87 1j2e h GLY 632 N 0.16 0.53 1.33 1.82 0.00 0.54 0.63 103.07 108.09 1j2e h GLY 632 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1j2e h GLY 632 CO 0.01 0.23 0.12 -1.33 0.00 0.00 0.00 176.54 175.56 1j2e h GLY 633 N 0.45 0.90 0.76 4.60 0.00 -0.31 -0.07 103.07 109.40 1j2e h GLY 633 Ca 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1j2e h GLY 633 CO -0.02 0.50 0.01 -1.82 0.00 0.00 0.00 176.54 175.20 1j2e h TYR 634 N 0.81 0.16 -0.52 5.60 3.20 -0.58 -1.41 116.97 124.23 1j2e h TYR 634 Ca 0.17 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1j2e h TYR 634 Cb 0.32 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1j2e h TYR 634 CO 0.02 0.39 -0.02 0.28 -1.64 0.00 0.00 178.16 177.19 1j2e h VAL 635 N -0.12 1.25 -0.15 1.81 2.07 -0.75 -0.55 116.25 119.82 1j2e h VAL 635 Ca 0.03 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1j2e h VAL 635 Cb 0.32 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1j2e h VAL 635 CO 0.00 0.39 0.00 0.74 0.02 0.00 0.00 177.57 178.72 1j2e h THR 636 N 0.82 0.90 -0.03 2.57 2.02 -0.91 0.10 112.91 118.39 1j2e h THR 636 Ca 0.15 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1j2e h THR 636 Cb 0.52 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1j2e h THR 636 CO 0.03 0.01 0.01 0.28 0.37 0.00 0.00 175.52 176.22 1j2e h SER 637 N 0.06 0.03 -0.53 4.18 0.02 -1.00 0.13 113.55 116.44 1j2e h SER 637 Ca 0.07 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1j2e h SER 637 Cb 0.08 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1j2e h SER 637 CO -0.12 0.09 0.20 0.24 -1.14 0.00 0.00 176.83 176.10 1j2e h MET 638 N -0.03 0.38 0.10 3.45 2.86 -0.82 0.57 114.93 121.45 1j2e h MET 638 Ca 0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1j2e h MET 638 Cb 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1j2e h MET 638 CO -0.00 0.25 -0.05 0.28 1.06 0.00 0.00 176.91 178.45 1j2e h VAL 639 N 0.39 0.96 -0.08 -2.22 2.07 -0.60 -2.28 116.25 114.49 1j2e h VAL 639 Ca 0.26 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1j2e h VAL 639 Cb 0.27 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1j2e h VAL 639 CO -0.25 0.06 0.11 -0.07 0.02 0.00 0.00 177.57 177.44 1j2e h LEU 640 N -0.24 0.00 -3.35 2.57 3.38 -0.04 -1.41 115.31 116.22 1j2e h LEU 640 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j2e h LEU 640 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1j2e h LEU 640 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1j2e n GLY 641 N -1.32 3.48 0.11 0.83 0.00 0.13 -4.43 105.19 103.99 1j2e n GLY 641 Ca -0.01 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.10 1j2e n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2e h SER 642 N 2.85 0.00 0.00 1.61 4.64 -0.70 -3.44 113.55 118.51 1j2e h SER 642 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j2e h SER 642 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1j2e h SER 642 CO 0.32 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1j2e n GLY 643 N 1.30 0.63 0.28 -0.77 0.00 -1.26 -4.93 105.19 100.43 1j2e n GLY 643 Ca -0.05 -0.26 0.19 0.00 0.00 0.00 0.00 46.02 45.90 1j2e n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2e h SER 644 N 0.00 0.00 -0.07 1.61 4.64 -1.92 -3.45 113.55 114.37 1j2e h SER 644 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1j2e h SER 644 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1j2e h SER 644 CO 0.00 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.54 1j2e n GLY 645 N -0.80 0.24 0.14 -0.77 0.00 -1.26 -4.83 105.19 97.90 1j2e n GLY 645 Ca -0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1j2e n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j2e h VAL 646 N 0.00 1.11 -3.00 1.61 2.07 -1.97 -3.46 116.25 112.61 1j2e h VAL 646 Ca -0.03 -2.64 -0.62 0.00 0.82 0.00 0.00 66.70 64.23 1j2e h VAL 646 Cb 0.81 2.87 -0.09 0.00 -1.52 0.00 0.00 31.29 33.36 1j2e h VAL 646 CO 0.04 0.84 -0.40 -0.36 0.02 0.00 0.00 177.57 177.71 1j2e s PHE 647 N -2.59 3.54 0.02 1.57 0.08 -1.26 -4.64 117.98 114.70 1j2e s PHE 647 Ca -0.12 0.58 -0.12 0.00 0.12 0.00 0.00 56.93 57.38 1j2e s PHE 647 Cb 0.05 -2.15 -0.33 0.00 -0.57 0.00 0.00 43.02 40.02 1j2e s PHE 647 CO 0.89 0.50 0.96 -0.22 -0.10 0.00 0.00 175.22 177.25 1j2e h LYS 648 N 5.74 0.46 -3.22 0.44 3.64 -1.01 -3.45 116.57 119.17 1j2e h LYS 648 Ca -0.48 -0.78 -0.01 0.00 -1.27 0.00 0.00 60.65 58.10 1j2e h LYS 648 Cb 1.19 0.29 -0.10 0.00 -0.41 0.00 0.00 32.23 33.20 1j2e h LYS 648 CO 0.67 1.37 0.08 0.00 -2.27 0.00 0.00 179.45 179.30 1j2e s GLY 650 N -2.85 -0.42 -0.13 0.00 0.00 -0.52 -1.63 107.32 101.77 1j2e s GLY 650 Ca 0.07 0.73 0.03 0.00 0.00 0.00 0.00 44.72 45.55 1j2e s GLY 650 CO -0.05 0.43 -0.22 -0.42 0.00 0.00 0.00 173.10 172.84 1j2e s ILE 651 N -2.00 2.03 -0.19 0.90 1.01 0.22 -2.11 121.20 121.06 1j2e s ILE 651 Ca -0.08 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 1j2e s ILE 651 Cb -0.01 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.69 1j2e s ILE 651 CO 0.02 0.55 -0.16 0.00 0.00 0.00 0.00 174.94 175.35 1j2e s ALA 652 N 0.72 2.46 -0.17 9.38 0.00 -0.54 -1.81 121.76 131.79 1j2e s ALA 652 Ca -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1j2e s ALA 652 Cb -0.16 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1j2e s ALA 652 CO 0.00 -0.38 -0.07 0.08 0.00 0.00 0.00 175.76 175.40 1j2e s VAL 653 N 1.34 3.39 -1.27 0.00 1.01 -0.83 -1.66 120.40 122.39 1j2e s VAL 653 Ca 0.05 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1j2e s VAL 653 Cb -0.13 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1j2e s VAL 653 CO -0.10 0.47 0.59 0.00 0.00 0.00 0.00 175.10 176.06 1j2e n ALA 654 N 4.06 -2.41 -2.10 5.51 0.00 0.56 -2.01 120.51 124.13 1j2e n ALA 654 Ca -0.18 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 1j2e n ALA 654 Cb 0.52 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1j2e n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j2e s PRO 655 N -6.78 3.79 0.27 0.00 0.04 -1.26 -2.87 135.00 128.18 1j2e s PRO 655 Ca 0.34 0.57 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 1j2e s PRO 655 Cb -0.15 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 1j2e s PRO 655 CO 0.92 -0.13 0.77 0.08 0.04 0.00 0.00 177.00 178.68 1j2e s VAL 656 N -2.51 4.53 0.00 -0.36 1.01 -1.24 -4.48 120.40 117.35 1j2e s VAL 656 Ca 0.53 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1j2e s VAL 656 Cb -0.10 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1j2e s VAL 656 CO 0.34 0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 1j2e n SER 657 N 0.37 3.59 -3.67 3.32 3.41 -1.26 -4.20 113.62 115.19 1j2e n SER 657 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1j2e n SER 657 Cb 0.52 0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 64.72 1j2e n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1j2e s ARG 658 N -1.69 0.12 0.63 4.33 3.52 -1.26 -0.35 118.95 124.25 1j2e s ARG 658 Ca 0.00 0.68 0.35 0.00 -0.13 0.00 0.00 55.73 56.62 1j2e s ARG 658 Cb 0.00 -0.11 1.94 0.00 -1.56 0.00 0.00 34.95 35.22 1j2e s ARG 658 CO 0.00 -0.28 2.17 -1.49 -0.81 0.00 0.00 175.30 174.89 1j2e h TRP 659 N 8.23 0.00 0.00 5.12 4.06 -1.83 0.44 115.95 131.96 1j2e h TRP 659 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 1j2e h TRP 659 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1j2e h TRP 659 CO 0.39 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.66 1j2e n GLU 660 N -3.37 0.13 0.03 0.49 1.02 -1.26 -2.26 120.64 115.41 1j2e n GLU 660 Ca -0.01 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 1j2e n GLU 660 Cb 0.23 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1j2e n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1j2e n TYR 661 N -1.40 0.26 -2.85 -0.32 4.01 0.15 -3.81 117.16 113.19 1j2e n TYR 661 Ca 0.07 0.07 -0.24 0.00 -0.16 0.00 0.00 57.90 57.64 1j2e n TYR 661 Cb 0.19 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 38.81 1j2e n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1j2e s TYR 662 N -3.16 3.28 0.56 -0.72 6.04 -0.96 -4.84 117.35 117.56 1j2e s TYR 662 Ca 0.05 0.38 -0.20 0.00 0.04 0.00 0.00 57.07 57.34 1j2e s TYR 662 Cb 0.15 -2.37 -0.04 0.00 -1.04 0.00 0.00 41.96 38.65 1j2e s TYR 662 CO 0.78 -0.41 1.24 0.16 -1.54 0.00 0.00 175.55 175.78 1j2e s ASP 663 N -4.21 5.31 0.00 4.32 3.84 -1.26 -0.67 116.67 124.00 1j2e s ASP 663 Ca 0.49 2.49 0.00 0.00 -0.00 0.00 0.00 52.55 55.53 1j2e s ASP 663 Cb -0.10 -2.61 0.00 0.00 -1.38 0.00 0.00 42.92 38.83 1j2e s ASP 663 CO 0.40 -1.52 0.78 -1.54 -0.00 0.00 0.00 175.17 173.30 1j2e n SER 664 N -1.30 0.00 -0.35 2.11 3.41 0.40 -1.88 113.62 116.01 1j2e n SER 664 Ca 0.12 0.78 -0.07 0.00 -0.26 0.00 0.00 58.87 59.44 1j2e n SER 664 Cb 0.48 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1j2e n SER 664 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1j2e n VAL 665 N -1.82 -0.54 0.05 -3.33 0.31 -1.26 -0.19 118.33 111.55 1j2e n VAL 665 Ca 0.00 2.04 -0.13 0.00 -0.01 0.00 0.00 64.34 66.25 1j2e n VAL 665 Cb 0.00 -2.57 -0.09 0.00 -0.91 0.00 0.00 33.84 30.27 1j2e n VAL 665 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1j2e h TYR 666 N 0.00 -0.12 0.80 3.52 3.20 -1.91 -2.68 116.97 119.78 1j2e h TYR 666 Ca 0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1j2e h TYR 666 Cb 0.39 0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.71 1j2e h TYR 666 CO -0.84 0.19 -0.38 1.15 -1.64 0.00 0.00 178.16 176.64 1j2e h THR 667 N -0.44 0.14 -0.18 1.81 2.02 -0.67 -2.91 112.91 112.68 1j2e h THR 667 Ca -0.01 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.10 1j2e h THR 667 Cb 0.37 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1j2e h THR 667 CO 0.02 0.01 0.23 -0.33 0.37 0.00 0.00 175.52 175.82 1j2e h GLU 668 N -1.17 0.00 -0.19 6.66 5.08 -0.71 0.27 114.58 124.52 1j2e h GLU 668 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1j2e h GLU 668 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1j2e h GLU 668 CO 0.18 0.00 0.06 -0.09 -1.00 0.00 0.00 179.01 178.16 1j2e h ARG 669 N 0.00 0.26 0.00 2.33 2.43 -1.26 -0.68 114.38 117.46 1j2e h ARG 669 Ca 0.08 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1j2e h ARG 669 Cb 0.54 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1j2e h ARG 669 CO -0.00 0.24 -1.36 0.66 -1.51 0.00 0.00 179.97 178.00 1j2e n TYR 670 N -4.44 0.00 0.83 2.20 4.02 -0.29 -4.62 117.16 114.87 1j2e n TYR 670 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1j2e n TYR 670 Cb 0.13 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 1j2e n TYR 670 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1j2e n MET 671 N -2.00 1.32 0.00 -0.72 2.81 0.79 0.92 117.12 120.24 1j2e n MET 671 Ca -0.06 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.42 1j2e n MET 671 Cb 0.46 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1j2e n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j2e n GLY 672 N 1.34 -0.03 3.88 3.03 0.00 -0.26 -4.66 105.19 108.50 1j2e n GLY 672 Ca 0.05 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 1j2e n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j2e s LEU 673 N 0.00 4.37 -0.02 0.99 1.43 -1.26 -4.26 118.68 119.92 1j2e s LEU 673 Ca 0.00 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1j2e s LEU 673 Cb 0.00 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 1j2e s LEU 673 CO 0.00 0.24 2.22 -2.65 0.23 0.00 0.00 176.35 176.39 1j2e n PRO 674 N 1.07 1.19 -4.11 1.29 -0.02 -1.26 -1.71 135.00 131.45 1j2e n PRO 674 Ca -0.11 -0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 60.90 1j2e n PRO 674 Cb 0.53 -1.17 -0.05 0.00 -0.02 0.00 0.00 33.50 32.79 1j2e n PRO 674 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1j2e s THR 675 N -0.02 4.45 0.32 3.45 -4.23 -1.26 -4.43 115.64 113.91 1j2e s THR 675 Ca 0.11 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1j2e s THR 675 Cb 0.06 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.82 1j2e s THR 675 CO -0.00 -0.29 1.91 -0.65 -0.54 0.00 0.00 174.62 175.05 1j2e h PRO 676 N 1.73 0.90 -0.87 3.99 0.11 -1.96 -1.53 132.00 134.36 1j2e h PRO 676 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1j2e h PRO 676 Cb 1.23 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1j2e h PRO 676 CO 0.61 0.59 0.00 -0.85 -0.21 0.00 0.00 178.00 178.15 1j2e n GLU 677 N -4.50 2.24 0.00 1.05 0.00 -1.26 -4.66 120.64 113.50 1j2e n GLU 677 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 57.16 56.29 1j2e n GLU 677 Cb 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 29.95 1j2e n GLU 677 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1j2e n ASP 678 N 0.20 0.00 -0.48 -1.84 -0.08 -0.71 -5.05 116.55 108.58 1j2e n ASP 678 Ca 0.09 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.40 1j2e n ASP 678 Cb 0.56 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.06 1j2e n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1j2e n ASN 679 N 0.00 0.76 -0.34 1.67 4.05 -0.69 -4.89 115.26 115.82 1j2e n ASN 679 Ca 0.00 -2.35 0.14 0.00 0.45 0.00 0.00 54.58 52.81 1j2e n ASN 679 Cb 0.00 -0.28 0.33 0.00 1.23 0.00 0.00 39.78 41.05 1j2e n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1j2e h LEU 680 N 0.12 0.65 -0.85 1.20 5.85 -1.33 -1.90 115.31 119.05 1j2e h LEU 680 Ca -0.02 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1j2e h LEU 680 Cb 1.32 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1j2e h LEU 680 CO 0.01 0.17 0.47 0.44 -0.34 0.00 0.00 178.44 179.20 1j2e h ASP 681 N 0.63 0.64 1.66 1.25 3.32 -1.90 -0.68 116.42 121.35 1j2e h ASP 681 Ca 0.58 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.70 1j2e h ASP 681 Cb 0.99 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1j2e h ASP 681 CO -0.43 0.33 0.00 -0.74 -1.72 0.00 0.00 179.24 176.68 1j2e h HIS 682 N 0.75 0.00 -0.02 4.55 2.76 -1.72 -2.30 115.15 119.17 1j2e h HIS 682 Ca 0.43 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1j2e h HIS 682 Cb 0.49 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 1j2e h HIS 682 CO -0.07 0.00 -0.01 1.88 -1.30 0.00 0.00 177.93 178.44 1j2e h TYR 683 N 0.00 0.04 0.00 5.26 0.05 -1.01 -2.41 116.97 118.90 1j2e h TYR 683 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1j2e h TYR 683 Cb 0.83 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.56 1j2e h TYR 683 CO 0.00 0.43 0.00 0.00 -1.05 0.00 0.00 178.16 177.54 1j2e h ARG 684 N -0.36 0.00 -0.01 4.88 2.47 -1.31 -3.16 114.38 116.89 1j2e h ARG 684 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1j2e h ARG 684 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1j2e h ARG 684 CO 0.00 0.00 -0.48 -1.71 0.56 0.00 0.00 179.97 178.35 1j2e n ASN 685 N -2.34 1.80 -2.14 7.04 5.15 -0.87 -4.49 115.26 119.41 1j2e n ASN 685 Ca 0.03 -1.40 -0.28 0.00 -0.60 0.00 0.00 54.58 52.34 1j2e n ASN 685 Cb 0.30 0.53 0.04 0.00 -0.53 0.00 0.00 39.78 40.12 1j2e n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1j2e n SER 686 N -0.19 5.81 -4.83 1.20 3.41 -0.92 -5.03 113.62 113.08 1j2e n SER 686 Ca 0.08 -3.76 -0.27 0.00 -0.26 0.00 0.00 58.87 54.66 1j2e n SER 686 Cb 0.41 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1j2e n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j2e s THR 687 N -4.70 4.67 0.12 6.66 -4.23 -1.26 -4.69 115.64 112.21 1j2e s THR 687 Ca 0.55 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 59.98 1j2e s THR 687 Cb 0.44 -3.37 -0.06 0.00 1.34 0.00 0.00 72.50 70.85 1j2e s THR 687 CO 0.01 -0.07 1.45 0.58 -0.54 0.00 0.00 174.62 176.05 1j2e h VAL 688 N 2.03 1.29 -0.83 2.29 2.07 -1.03 -3.29 116.25 118.78 1j2e h VAL 688 Ca -0.48 -1.50 0.19 0.00 0.82 0.00 0.00 66.70 65.73 1j2e h VAL 688 Cb 1.19 1.47 -0.11 0.00 -1.52 0.00 0.00 31.29 32.32 1j2e h VAL 688 CO 0.65 0.49 0.32 0.24 0.02 0.00 0.00 177.57 179.29 1j2e h MET 689 N 0.61 0.37 0.00 1.57 2.86 -1.91 -0.35 114.93 118.09 1j2e h MET 689 Ca 0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1j2e h MET 689 Cb 0.91 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1j2e h MET 689 CO 0.08 0.25 0.00 -1.13 1.06 0.00 0.00 176.91 177.17 1j2e n SER 690 N -5.06 0.00 -0.16 1.22 3.41 -1.24 -1.73 113.62 110.07 1j2e n SER 690 Ca 0.18 -0.49 0.02 0.00 -0.26 0.00 0.00 58.87 58.32 1j2e n SER 690 Cb 0.55 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1j2e n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j2e n ARG 691 N -0.80 2.92 -0.26 4.33 1.74 -0.14 -4.84 116.66 119.61 1j2e n ARG 691 Ca 0.05 -1.67 -0.05 0.00 -0.77 0.00 0.00 57.85 55.40 1j2e n ARG 691 Cb 0.02 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1j2e n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j2e h ALA 692 N 0.49 -0.11 -1.00 7.54 0.00 -1.43 -1.07 119.26 123.68 1j2e h ALA 692 Ca 0.00 0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.37 1j2e h ALA 692 Cb 0.58 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1j2e h ALA 692 CO 0.00 -0.73 0.76 0.93 0.00 0.00 0.00 179.25 180.21 1j2e h GLU 693 N -0.13 0.00 0.00 0.00 4.39 -1.88 0.03 114.58 116.98 1j2e h GLU 693 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1j2e h GLU 693 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1j2e h GLU 693 CO -0.78 0.00 0.00 -0.91 -1.16 0.00 0.00 179.01 176.16 1j2e h ASN 694 N 0.00 0.00 0.00 1.42 -0.26 -1.47 -3.15 115.58 112.11 1j2e h ASN 694 Ca 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 1j2e h ASN 694 Cb 1.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.25 1j2e h ASN 694 CO -0.00 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 176.86 1j2e n PHE 695 N -2.47 0.00 0.52 1.19 3.01 -0.00 -2.38 117.46 117.32 1j2e n PHE 695 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.61 1j2e n PHE 695 Cb 0.40 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.32 1j2e n PHE 695 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1j2e n LYS 696 N -1.00 0.15 -0.08 -1.08 5.02 -1.19 -2.73 118.16 117.25 1j2e n LYS 696 Ca 0.16 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 1j2e n LYS 696 Cb 0.07 -1.75 0.23 0.00 -0.02 0.00 0.00 35.03 33.57 1j2e n LYS 696 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1j2e n GLN 697 N -2.02 2.23 -4.12 1.97 6.02 -1.00 -4.98 117.38 115.47 1j2e n GLN 697 Ca 0.03 -1.82 -0.10 0.00 -0.01 0.00 0.00 57.00 55.10 1j2e n GLN 697 Cb 0.26 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 29.96 1j2e n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1j2e s VAL 698 N -1.79 0.06 -0.21 5.09 -7.23 -1.10 -4.90 120.40 110.32 1j2e s VAL 698 Ca 0.34 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 1j2e s VAL 698 Cb 0.21 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1j2e s VAL 698 CO 0.31 -0.29 0.29 -1.61 -0.31 0.00 0.00 175.10 173.49 1j2e s GLU 699 N -4.06 4.15 -0.04 4.82 2.02 -0.87 -4.98 118.70 119.74 1j2e s GLU 699 Ca 0.27 0.01 0.05 0.00 0.02 0.00 0.00 54.97 55.32 1j2e s GLU 699 Cb 0.06 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 1j2e s GLU 699 CO 0.05 0.05 -0.20 -0.47 0.02 0.00 0.00 175.26 174.71 1j2e s TYR 700 N 1.05 1.91 -0.17 1.61 5.04 -1.26 -1.44 117.35 124.08 1j2e s TYR 700 Ca 0.14 -0.51 0.01 0.00 -2.44 0.00 0.00 57.07 54.28 1j2e s TYR 700 Cb -0.14 -1.26 0.03 0.00 0.35 0.00 0.00 41.96 40.94 1j2e s TYR 700 CO 0.06 -0.14 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.81 1j2e s LEU 701 N -0.14 2.03 -0.16 6.97 2.96 -0.90 -0.09 118.68 129.35 1j2e s LEU 701 Ca -0.01 -0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 1j2e s LEU 701 Cb -0.11 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1j2e s LEU 701 CO 0.02 -0.07 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.71 1j2e s LEU 702 N 1.39 3.14 -0.01 -0.68 2.96 0.17 -1.47 118.68 124.19 1j2e s LEU 702 Ca 0.03 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1j2e s LEU 702 Cb -0.14 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1j2e s LEU 702 CO -0.10 0.15 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.42 1j2e s ILE 703 N 0.49 0.21 -0.19 6.68 1.01 -0.66 0.26 121.20 129.00 1j2e s ILE 703 Ca -0.04 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 1j2e s ILE 703 Cb -0.14 -0.21 0.06 0.00 0.01 0.00 0.00 42.46 42.18 1j2e s ILE 703 CO 0.03 0.08 0.62 -2.28 0.00 0.00 0.00 174.94 173.39 1j2e s HIS 704 N 0.15 -0.66 0.28 3.97 2.46 -0.73 -0.32 115.29 120.44 1j2e s HIS 704 Ca -0.01 1.52 -0.27 0.00 0.47 0.00 0.00 55.06 56.77 1j2e s HIS 704 Cb -0.04 0.26 -0.09 0.00 -0.13 0.00 0.00 32.58 32.58 1j2e s HIS 704 CO -0.00 -0.38 0.92 0.20 -2.47 0.00 0.00 174.74 173.00 1j2e s GLY 705 N -0.01 2.89 0.28 1.59 0.00 -1.26 -1.51 107.32 109.30 1j2e s GLY 705 Ca -0.03 0.52 0.15 0.00 0.00 0.00 0.00 44.72 45.36 1j2e s GLY 705 CO 0.03 1.00 1.47 -0.91 0.00 0.00 0.00 173.10 174.69 1j2e h THR 706 N 2.83 0.95 -0.97 0.90 1.35 -1.28 -3.23 112.91 113.47 1j2e h THR 706 Ca -0.46 -2.24 -0.49 0.00 -0.55 0.00 0.00 66.41 62.66 1j2e h THR 706 Cb 1.19 2.40 -0.29 0.00 -1.73 0.00 0.00 68.15 69.72 1j2e h THR 706 CO 0.66 0.52 0.63 0.00 -0.25 0.00 0.00 175.52 177.08 1j2e n ALA 707 N -2.25 5.49 -2.28 6.62 0.00 -0.78 -4.70 120.51 122.61 1j2e n ALA 707 Ca 0.01 -2.81 -0.41 0.00 0.00 0.00 0.00 53.44 50.24 1j2e n ALA 707 Cb 0.72 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1j2e n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j2e s ASP 708 N -1.23 5.87 0.42 0.00 -1.08 -1.22 -4.40 116.67 115.02 1j2e s ASP 708 Ca 0.56 0.30 0.23 0.00 -0.52 0.00 0.00 52.55 53.11 1j2e s ASP 708 Cb 0.47 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.84 1j2e s ASP 708 CO 0.11 -1.92 1.64 -2.24 0.52 0.00 0.00 175.17 173.28 1j2e h ASP 709 N 12.20 0.00 0.00 -0.34 3.04 -1.92 -3.28 116.42 126.12 1j2e h ASP 709 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1j2e h ASP 709 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1j2e h ASP 709 CO 1.19 0.12 0.00 -3.20 -2.04 0.00 0.00 179.24 175.31 1j2e n ASN 710 N -3.14 0.00 -4.34 4.15 4.05 -1.26 -4.69 115.26 110.02 1j2e n ASN 710 Ca 0.03 0.16 -0.45 0.00 0.45 0.00 0.00 54.58 54.77 1j2e n ASN 710 Cb 0.54 -0.23 -0.05 0.00 1.23 0.00 0.00 39.78 41.27 1j2e n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1j2e s VAL 711 N -0.45 5.01 0.60 3.44 1.01 -1.26 -4.83 120.40 123.90 1j2e s VAL 711 Ca 0.00 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 1j2e s VAL 711 Cb 0.00 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1j2e s VAL 711 CO 0.00 -1.00 1.32 -1.00 0.00 0.00 0.00 175.10 174.42 1j2e s HIS 712 N 2.17 2.19 0.53 5.22 3.76 -1.24 -4.71 115.29 123.22 1j2e s HIS 712 Ca 0.07 1.43 0.27 0.00 -0.15 0.00 0.00 55.06 56.68 1j2e s HIS 712 Cb -0.27 -3.74 1.42 0.00 1.11 0.00 0.00 32.58 31.10 1j2e s HIS 712 CO 0.05 -2.89 1.97 0.35 -0.85 0.00 0.00 174.74 173.37 1j2e h PHE 713 N 1.00 0.00 -0.90 1.40 3.57 -1.79 -0.80 116.94 119.41 1j2e h PHE 713 Ca -0.51 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.24 1j2e h PHE 713 Cb 1.32 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.92 1j2e h PHE 713 CO 0.44 0.00 0.34 0.37 -2.23 0.00 0.00 178.31 177.23 1j2e h GLN 714 N 0.00 0.28 -0.23 1.11 4.15 -1.94 0.11 115.11 118.59 1j2e h GLN 714 Ca 0.29 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.74 1j2e h GLN 714 Cb 1.16 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 1j2e h GLN 714 CO -0.00 0.18 -0.11 1.96 -1.93 0.00 0.00 178.83 178.93 1j2e h GLN 715 N 0.28 -0.08 0.00 1.69 1.08 -1.45 0.19 115.11 116.82 1j2e h GLN 715 Ca 0.58 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.67 1j2e h GLN 715 Cb 1.19 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 1j2e h GLN 715 CO -0.61 -0.05 -0.56 0.77 -0.95 0.00 0.00 178.83 177.43 1j2e h SER 716 N -0.08 0.00 -0.62 1.46 0.02 -1.34 -2.97 113.55 110.02 1j2e h SER 716 Ca 0.12 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1j2e h SER 716 Cb 0.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1j2e h SER 716 CO -0.28 0.56 0.15 0.00 -1.14 0.00 0.00 176.83 176.11 1j2e h ALA 717 N 1.44 1.04 0.00 3.77 0.00 0.21 -1.21 119.26 124.51 1j2e h ALA 717 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1j2e h ALA 717 Cb 1.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1j2e h ALA 717 CO 0.07 0.63 -0.60 1.96 0.00 0.00 0.00 179.25 181.31 1j2e h GLN 718 N 0.97 0.00 0.29 0.00 1.08 -0.63 -2.46 115.11 114.37 1j2e h GLN 718 Ca 0.20 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1j2e h GLN 718 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1j2e h GLN 718 CO 0.00 0.60 -0.14 0.82 -0.95 0.00 0.00 178.83 179.16 1j2e h ILE 719 N 0.00 0.69 -0.80 2.54 2.04 -1.27 -2.32 117.51 118.39 1j2e h ILE 719 Ca -0.01 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.29 1j2e h ILE 719 Cb 1.09 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 1j2e h ILE 719 CO 0.08 0.13 0.43 0.77 0.00 0.00 0.00 178.15 179.55 1j2e h SER 720 N -0.79 0.57 -0.77 1.72 4.64 -1.28 -0.67 113.55 116.97 1j2e h SER 720 Ca -0.04 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1j2e h SER 720 Cb 0.51 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1j2e h SER 720 CO 0.07 0.30 0.32 0.50 -0.87 0.00 0.00 176.83 177.14 1j2e h LYS 721 N 0.68 1.14 -0.56 4.77 3.64 -1.44 -0.22 116.57 124.59 1j2e h LYS 721 Ca 0.41 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1j2e h LYS 721 Cb 0.47 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1j2e h LYS 721 CO -0.29 0.92 -0.07 0.00 -2.27 0.00 0.00 179.45 177.73 1j2e h ALA 722 N 1.23 0.82 -0.23 5.00 0.00 -0.59 0.42 119.26 125.92 1j2e h ALA 722 Ca 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1j2e h ALA 722 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1j2e h ALA 722 CO -0.02 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.87 1j2e h LEU 723 N 0.91 0.34 -1.05 0.00 3.38 -0.77 -2.58 115.31 115.55 1j2e h LEU 723 Ca 0.15 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1j2e h LEU 723 Cb 0.62 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1j2e h LEU 723 CO 0.04 0.49 0.61 0.58 0.09 0.00 0.00 178.44 180.25 1j2e h VAL 724 N 0.18 1.25 0.00 1.22 2.07 -0.89 -1.20 116.25 118.88 1j2e h VAL 724 Ca 0.07 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1j2e h VAL 724 Cb 0.28 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1j2e h VAL 724 CO 0.00 0.24 0.00 0.47 0.02 0.00 0.00 177.57 178.31 1j2e n ASP 725 N -4.38 0.52 -0.11 0.57 8.00 0.12 -2.02 116.55 119.25 1j2e n ASP 725 Ca 0.11 0.67 0.05 0.00 0.71 0.00 0.00 54.79 56.33 1j2e n ASP 725 Cb 0.03 -0.77 0.08 0.00 -0.02 0.00 0.00 41.12 40.44 1j2e n ASP 725 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1j2e n VAL 726 N -2.12 1.40 -3.24 2.53 0.24 -0.57 -5.00 118.33 111.57 1j2e n VAL 726 Ca 0.01 -1.53 -0.16 0.00 -2.04 0.00 0.00 64.34 60.62 1j2e n VAL 726 Cb 0.14 0.18 0.06 0.00 -1.47 0.00 0.00 33.84 32.74 1j2e n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2e n GLY 727 N -0.79 -0.09 3.65 7.63 0.00 -0.86 -4.96 105.19 109.78 1j2e n GLY 727 Ca 0.08 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1j2e n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j2e s VAL 728 N -3.22 4.95 0.13 1.61 1.01 -0.56 -5.03 120.40 119.29 1j2e s VAL 728 Ca 0.38 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 1j2e s VAL 728 Cb -0.17 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1j2e s VAL 728 CO 0.50 0.44 0.56 -0.62 0.00 0.00 0.00 175.10 175.98 1j2e s ASP 729 N 0.51 6.88 0.29 3.32 2.15 -1.26 -4.46 116.67 124.10 1j2e s ASP 729 Ca 0.05 1.13 -0.20 0.00 0.43 0.00 0.00 52.55 53.95 1j2e s ASP 729 Cb -0.12 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.23 1j2e s ASP 729 CO 0.00 0.14 0.81 0.72 -0.17 0.00 0.00 175.17 176.67 1j2e s PHE 730 N -1.39 -0.06 -0.10 -5.34 -0.12 -1.26 -4.76 117.98 104.96 1j2e s PHE 730 Ca 0.36 -0.45 -0.02 0.00 -0.05 0.00 0.00 56.93 56.77 1j2e s PHE 730 Cb -0.16 0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1j2e s PHE 730 CO 0.19 -1.26 -0.01 -0.65 -0.05 0.00 0.00 175.22 173.44 1j2e s GLN 731 N -3.14 3.09 0.13 1.99 -1.52 0.87 -5.02 119.66 116.06 1j2e s GLN 731 Ca 0.14 -0.43 0.05 0.00 -1.95 0.00 0.00 55.36 53.16 1j2e s GLN 731 Cb -0.05 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 29.89 1j2e s GLN 731 CO 0.08 0.62 -0.11 0.00 -0.25 0.00 0.00 175.29 175.63 1j2e s ALA 732 N -0.66 1.41 -0.26 6.09 0.00 -1.26 0.44 121.76 127.51 1j2e s ALA 732 Ca 0.10 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1j2e s ALA 732 Cb -0.12 0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.12 1j2e s ALA 732 CO 0.02 -0.05 0.59 1.41 0.00 0.00 0.00 175.76 177.74 1j2e s MET 733 N -3.37 0.55 0.06 0.00 1.75 0.14 -4.89 119.30 113.54 1j2e s MET 733 Ca 0.13 1.25 0.05 0.00 -1.25 0.00 0.00 55.69 55.87 1j2e s MET 733 Cb 0.00 0.49 -0.04 0.00 2.84 0.00 0.00 34.83 38.12 1j2e s MET 733 CO 0.01 -0.19 -0.05 1.67 -0.65 0.00 0.00 175.02 175.81 1j2e s TRP 734 N 2.36 2.90 -0.34 4.11 -2.14 -1.26 -1.77 118.94 122.81 1j2e s TRP 734 Ca -0.07 -0.06 0.02 0.00 2.66 0.00 0.00 56.10 58.65 1j2e s TRP 734 Cb -0.10 -1.54 0.09 0.00 -3.10 0.00 0.00 33.47 28.82 1j2e s TRP 734 CO -0.17 0.43 0.05 0.71 -2.66 0.00 0.00 176.95 175.31 1j2e s TYR 735 N -1.17 3.58 0.05 1.66 2.02 -0.57 -4.94 117.35 117.98 1j2e s TYR 735 Ca 0.22 -2.61 -0.36 0.00 -0.37 0.00 0.00 57.07 53.95 1j2e s TYR 735 Cb -0.11 -2.72 -0.15 0.00 -0.40 0.00 0.00 41.96 38.58 1j2e s TYR 735 CO 0.13 -0.92 1.56 2.41 -1.57 0.00 0.00 175.55 177.16 1j2e n THR 736 N 4.41 0.12 -1.05 -0.71 -1.04 -1.26 -1.79 114.28 112.95 1j2e n THR 736 Ca -0.03 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 61.94 1j2e n THR 736 Cb 0.42 -1.32 -0.01 0.00 -1.82 0.00 0.00 70.33 67.61 1j2e n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1j2e n ASP 737 N 3.80 -5.87 -4.82 8.00 10.43 -1.26 -4.87 116.55 121.95 1j2e n ASP 737 Ca 0.19 0.05 -0.37 0.00 2.57 0.00 0.00 54.79 57.23 1j2e n ASP 737 Cb 0.24 -3.53 -0.06 0.00 1.84 0.00 0.00 41.12 39.61 1j2e n ASP 737 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1j2e s GLU 738 N -2.11 4.12 0.00 -1.24 0.41 -0.90 -4.65 118.70 114.33 1j2e s GLU 738 Ca 0.00 0.65 0.00 0.00 -0.41 0.00 0.00 54.97 55.21 1j2e s GLU 738 Cb 0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1j2e s GLU 738 CO 0.00 0.57 0.00 -0.40 -0.49 0.00 0.00 175.26 174.94 1j2e n ASP 739 N 1.34 0.00 0.29 -0.19 3.85 -1.26 -1.87 116.55 118.71 1j2e n ASP 739 Ca -0.08 -0.33 0.18 0.00 -0.71 0.00 0.00 54.79 53.86 1j2e n ASP 739 Cb 0.51 0.00 1.00 0.00 -1.35 0.00 0.00 41.12 41.28 1j2e n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 1j2e h HIS 740 N -0.14 0.00 0.00 2.11 -0.00 -1.91 -2.08 115.15 113.14 1j2e h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1j2e h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1j2e h HIS 740 CO 0.00 0.00 -0.85 0.41 -0.00 0.00 0.00 177.93 177.49 1j2e n GLY 741 N -1.24 -1.16 4.10 5.26 0.00 -1.26 -4.95 105.19 105.93 1j2e n GLY 741 Ca -0.02 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1j2e n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j2e n ILE 742 N -1.68 -0.38 -0.13 -0.61 5.41 -0.78 -4.79 119.36 116.40 1j2e n ILE 742 Ca 0.04 -0.19 0.11 0.00 1.00 0.00 0.00 62.75 63.70 1j2e n ILE 742 Cb 0.37 -0.62 0.30 0.00 -0.71 0.00 0.00 39.64 38.98 1j2e n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1j2e n ALA 743 N -3.79 2.42 -1.68 -1.39 0.00 -1.26 -3.73 120.51 111.08 1j2e n ALA 743 Ca -0.07 -1.18 -0.35 0.00 0.00 0.00 0.00 53.44 51.84 1j2e n ALA 743 Cb 0.48 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 19.02 1j2e n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j2e s SER 744 N -0.99 5.06 0.16 0.00 1.04 -1.26 -4.75 113.70 112.96 1j2e s SER 744 Ca 0.45 2.34 -0.21 0.00 0.48 0.00 0.00 55.95 59.01 1j2e s SER 744 Cb 0.23 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.82 1j2e s SER 744 CO 0.30 -1.68 1.62 -1.28 0.98 0.00 0.00 173.24 173.19 1j2e h SER 745 N 0.66 -0.81 -0.25 7.02 0.87 -2.00 0.89 113.55 119.93 1j2e h SER 745 Ca -0.50 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 1j2e h SER 745 Cb 1.29 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 1j2e h SER 745 CO 0.54 -0.27 -0.09 0.71 -0.53 0.00 0.00 176.83 177.18 1j2e h THR 746 N -0.21 1.29 -0.08 2.23 1.35 -1.98 -3.02 112.91 112.49 1j2e h THR 746 Ca 0.17 -1.15 -0.06 0.00 -0.55 0.00 0.00 66.41 64.82 1j2e h THR 746 Cb 0.47 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1j2e h THR 746 CO -0.45 0.36 -0.23 0.00 -0.25 0.00 0.00 175.52 174.95 1j2e h ALA 747 N 0.74 1.47 -0.19 6.62 0.00 -1.83 -1.19 119.26 124.88 1j2e h ALA 747 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1j2e h ALA 747 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j2e h ALA 747 CO 0.03 0.38 0.06 1.25 0.00 0.00 0.00 179.25 180.97 1j2e h HIS 748 N 0.13 0.31 -0.31 0.00 2.76 -0.78 -1.56 115.15 115.71 1j2e h HIS 748 Ca 0.02 -0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.01 1j2e h HIS 748 Cb 0.48 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1j2e h HIS 748 CO 0.00 0.40 -0.40 1.96 -1.30 0.00 0.00 177.93 178.59 1j2e h GLN 749 N 0.14 0.74 -0.35 5.26 4.20 -1.38 -3.00 115.11 120.71 1j2e h GLN 749 Ca 0.06 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1j2e h GLN 749 Cb 0.23 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1j2e h GLN 749 CO -0.00 1.01 0.14 1.25 -0.67 0.00 0.00 178.83 180.55 1j2e h HIS 750 N 0.60 0.54 -0.08 2.96 2.76 -1.09 -1.54 115.15 119.31 1j2e h HIS 750 Ca 0.05 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1j2e h HIS 750 Cb 0.95 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.75 1j2e h HIS 750 CO 0.05 0.50 -0.01 0.97 -1.30 0.00 0.00 177.93 178.14 1j2e h ILE 751 N 0.42 1.28 -0.17 6.26 2.10 -1.32 -0.90 117.51 125.18 1j2e h ILE 751 Ca 0.12 -0.89 -0.04 0.00 1.08 0.00 0.00 64.86 65.12 1j2e h ILE 751 Cb 0.20 1.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 1j2e h ILE 751 CO -0.01 0.25 -0.09 1.88 -1.08 0.00 0.00 178.15 179.10 1j2e h TYR 752 N -0.16 0.28 -0.47 2.19 0.05 -1.55 0.26 116.97 117.57 1j2e h TYR 752 Ca 0.02 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 1j2e h TYR 752 Cb 0.40 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1j2e h TYR 752 CO 0.05 0.37 -0.09 1.15 -1.05 0.00 0.00 178.16 178.58 1j2e h THR 753 N 0.26 1.27 -0.25 -2.88 2.02 -1.16 -0.42 112.91 111.74 1j2e h THR 753 Ca 0.05 -1.21 -0.06 0.00 0.77 0.00 0.00 66.41 65.96 1j2e h THR 753 Cb 0.33 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1j2e h THR 753 CO 0.02 0.42 -0.08 -0.74 0.37 0.00 0.00 175.52 175.50 1j2e h HIS 754 N 0.73 0.57 -0.19 3.16 -0.00 -0.22 -2.65 115.15 116.56 1j2e h HIS 754 Ca 0.12 -0.13 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 1j2e h HIS 754 Cb 0.64 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1j2e h HIS 754 CO 0.05 0.74 -0.11 0.52 -0.00 0.00 0.00 177.93 179.13 1j2e h MET 755 N 0.24 0.29 -0.44 5.26 2.07 -0.43 -2.57 114.93 119.36 1j2e h MET 755 Ca 0.06 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.59 1j2e h MET 755 Cb 0.57 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 1j2e h MET 755 CO 0.03 0.41 0.12 0.77 1.07 0.00 0.00 176.91 179.31 1j2e h SER 756 N 0.28 0.65 -0.79 1.22 0.02 -0.89 -0.79 113.55 113.25 1j2e h SER 756 Ca 0.06 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1j2e h SER 756 Cb 0.37 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1j2e h SER 756 CO 0.02 0.70 0.41 0.45 -1.14 0.00 0.00 176.83 177.27 1j2e h HIS 757 N 0.57 1.11 -0.06 3.45 3.86 -1.23 -1.85 115.15 121.01 1j2e h HIS 757 Ca 0.14 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1j2e h HIS 757 Cb 0.29 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1j2e h HIS 757 CO 0.02 0.79 0.03 0.35 0.86 0.00 0.00 177.93 179.97 1j2e h PHE 758 N 1.11 0.08 -0.35 2.45 3.57 -1.11 -0.76 116.94 121.92 1j2e h PHE 758 Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1j2e h PHE 758 Cb 0.07 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1j2e h PHE 758 CO 0.01 0.17 0.23 0.82 -2.23 0.00 0.00 178.31 177.31 1j2e h ILE 759 N -0.03 1.09 0.00 1.41 1.08 -1.00 0.05 117.51 120.11 1j2e h ILE 759 Ca 0.02 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1j2e h ILE 759 Cb 0.12 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1j2e h ILE 759 CO -0.00 0.09 -0.07 0.11 -0.69 0.00 0.00 178.15 177.59 1j2e h LYS 760 N 0.48 0.00 0.06 2.37 1.57 -1.25 -0.79 116.57 119.01 1j2e h LYS 760 Ca 0.13 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1j2e h LYS 760 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1j2e h LYS 760 CO -0.03 0.07 -0.54 0.37 -0.57 0.00 0.00 179.45 178.75 1j2e h GLN 761 N 0.00 0.13 -0.07 3.15 -0.00 -0.48 -2.39 115.11 115.44 1j2e h GLN 761 Ca -0.00 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.41 1j2e h GLN 761 Cb 0.39 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.94 1j2e h GLN 761 CO 0.01 1.10 -0.08 0.00 0.00 0.00 0.00 178.83 179.87 1j2e n PHE 763 N -4.39 0.00 -1.64 0.00 3.72 -0.33 -4.95 117.46 109.88 1j2e n PHE 763 Ca -0.02 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.92 1j2e n PHE 763 Cb 0.19 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1j2e n PHE 763 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1j2e n SER 764 N 0.67 2.17 -3.72 4.37 3.41 -0.86 -4.96 113.62 114.71 1j2e n SER 764 Ca 0.14 1.15 -0.28 0.00 -0.26 0.00 0.00 58.87 59.62 1j2e n SER 764 Cb 0.50 -1.35 -0.16 0.00 -0.26 0.00 0.00 64.21 62.94 1j2e n SER 764 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1j2e s LEU 765 N 0.24 1.28 0.00 1.04 2.96 -1.26 -5.04 118.68 117.90 1j2e s LEU 765 Ca 0.68 -0.97 0.17 0.00 -0.22 0.00 0.00 54.13 53.78 1j2e s LEU 765 Cb -0.71 -0.61 1.00 0.00 0.50 0.00 0.00 46.19 46.37 1j2e s LEU 765 CO 0.52 -0.33 1.41 -0.81 -1.32 0.00 0.00 176.35 175.81