#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jty h PHE 33 N 0.00 1.09 0.05 1.61 3.57 -1.72 -2.59 116.94 118.96 3jty h PHE 33 Ca 0.00 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.21 3jty h PHE 33 Cb 0.00 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 3jty h PHE 33 CO 0.00 0.57 -1.77 1.28 -2.23 0.00 0.00 178.31 176.16 3jty n LEU 34 N -4.56 2.28 -0.24 0.59 4.77 -1.26 -2.10 117.00 116.49 3jty n LEU 34 Ca 0.13 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 3jty n LEU 34 Cb 0.16 -1.02 0.10 0.00 -2.33 0.00 0.00 43.42 40.33 3jty n LEU 34 CO 0.32 0.60 1.02 -0.33 -1.33 0.00 0.00 177.39 177.66 3jty h GLU 35 N -0.47 1.09 -0.50 3.23 5.08 -1.95 -2.11 114.58 118.95 3jty h GLU 35 Ca -0.43 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 3jty h GLU 35 Cb 1.69 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3jty h GLU 35 CO -0.09 0.91 0.00 -0.25 -1.00 0.00 0.00 179.01 178.58 3jty n ASP 36 N -4.27 5.23 -4.76 1.42 8.00 -0.98 -4.88 116.55 116.30 3jty n ASP 36 Ca 0.06 -2.93 -0.38 0.00 0.71 0.00 0.00 54.79 52.25 3jty n ASP 36 Cb 0.21 -0.64 0.01 0.00 -0.02 0.00 0.00 41.12 40.67 3jty n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jty s ALA 37 N -2.73 3.00 -0.05 2.24 0.00 -0.79 -4.01 121.76 119.42 3jty s ALA 37 Ca 0.51 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.63 3jty s ALA 37 Cb 0.39 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3jty s ALA 37 CO 0.15 -0.90 -0.15 -1.14 0.00 0.00 0.00 175.76 173.72 3jty s GLN 38 N -2.63 1.69 -0.19 0.00 0.74 0.48 -4.95 119.66 114.81 3jty s GLN 38 Ca 0.64 -0.51 -0.06 0.00 0.05 0.00 0.00 55.36 55.48 3jty s GLN 38 Cb -0.34 -1.44 0.09 0.00 1.10 0.00 0.00 33.01 32.42 3jty s GLN 38 CO 0.42 0.16 0.37 0.00 -0.55 0.00 0.00 175.29 175.68 3jty s ALA 39 N 0.26 -0.97 0.19 1.58 0.00 -1.26 -1.19 121.76 120.38 3jty s ALA 39 Ca -0.08 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.21 3jty s ALA 39 Cb -0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3jty s ALA 39 CO 0.03 -0.82 -0.20 -0.80 0.00 0.00 0.00 175.76 173.97 3jty s ASN 40 N 2.55 3.00 -0.15 0.00 0.01 -0.98 -0.70 114.94 118.67 3jty s ASN 40 Ca 0.02 -0.90 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 3jty s ASN 40 Cb -0.13 -0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.36 3jty s ASN 40 CO -0.12 0.01 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.16 3jty s LEU 41 N -2.83 1.60 -0.24 0.60 2.96 0.14 -2.32 118.68 118.59 3jty s LEU 41 Ca 0.19 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 3jty s LEU 41 Cb -0.06 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 3jty s LEU 41 CO 0.09 -0.11 0.15 -0.89 -1.32 0.00 0.00 176.35 174.26 3jty s THR 42 N 1.57 5.20 -0.20 3.68 2.01 -0.23 0.45 115.64 128.12 3jty s THR 42 Ca 0.03 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.02 3jty s THR 42 Cb -0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3jty s THR 42 CO -0.09 0.34 0.33 -0.76 -0.69 0.00 0.00 174.62 173.75 3jty s LEU 43 N 1.16 4.17 -0.20 4.42 1.43 -0.37 -0.90 118.68 128.39 3jty s LEU 43 Ca 0.07 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3jty s LEU 43 Cb -0.14 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.75 3jty s LEU 43 CO 0.05 -0.00 0.08 -0.60 0.23 0.00 0.00 176.35 176.11 3jty s ARG 44 N 1.04 0.31 -0.26 1.70 3.52 -0.64 -0.60 118.95 124.01 3jty s ARG 44 Ca 0.16 -0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 55.29 3jty s ARG 44 Cb -0.14 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 3jty s ARG 44 CO 0.06 -0.73 0.40 1.21 -0.81 0.00 0.00 175.30 175.43 3jty s ASN 45 N 2.01 6.31 -0.24 -2.12 2.47 0.10 -1.76 114.94 121.71 3jty s ASN 45 Ca 0.02 0.36 -0.00 0.00 0.42 0.00 0.00 52.86 53.66 3jty s ASN 45 Cb -0.16 -2.22 0.07 0.00 -1.45 0.00 0.00 41.25 37.48 3jty s ASN 45 CO -0.14 -0.18 -0.01 0.12 -3.72 0.00 0.00 177.10 173.17 3jty s PHE 46 N 1.99 2.09 -0.08 0.43 5.99 -0.11 -1.10 117.98 127.19 3jty s PHE 46 Ca 0.16 -1.62 -0.11 0.00 0.00 0.00 0.00 56.93 55.37 3jty s PHE 46 Cb -0.16 -1.54 -0.05 0.00 0.00 0.00 0.00 43.02 41.28 3jty s PHE 46 CO 0.09 -0.76 0.27 -0.47 -0.00 0.00 0.00 175.22 174.36 3jty s TYR 47 N 1.50 3.63 -0.15 10.12 5.04 0.46 -1.07 117.35 136.88 3jty s TYR 47 Ca -0.02 0.73 -0.04 0.00 -2.44 0.00 0.00 57.07 55.30 3jty s TYR 47 Cb -0.18 -2.15 0.05 0.00 0.35 0.00 0.00 41.96 40.03 3jty s TYR 47 CO -0.09 0.62 0.07 0.12 -1.34 0.00 0.00 175.55 174.93 3jty s PHE 48 N -0.80 0.37 -0.31 4.97 5.36 0.16 -1.27 117.98 126.47 3jty s PHE 48 Ca 0.19 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 3jty s PHE 48 Cb -0.14 -0.73 0.09 0.00 -0.34 0.00 0.00 43.02 41.89 3jty s PHE 48 CO 0.08 -0.47 0.02 1.21 -1.46 0.00 0.00 175.22 174.60 3jty s ASN 49 N 2.08 4.46 -0.45 6.13 3.84 0.23 -1.61 114.94 129.61 3jty s ASN 49 Ca 0.02 -1.82 -0.15 0.00 0.21 0.00 0.00 52.86 51.11 3jty s ASN 49 Cb -0.15 -1.42 0.06 0.00 -0.55 0.00 0.00 41.25 39.19 3jty s ASN 49 CO -0.08 -0.34 0.37 -0.60 -2.79 0.00 0.00 177.10 173.66 3jty s ARG 50 N 1.13 2.96 -0.53 0.43 3.52 0.03 -1.14 118.95 125.35 3jty s ARG 50 Ca 0.06 -1.27 -0.22 0.00 -0.13 0.00 0.00 55.73 54.16 3jty s ARG 50 Cb -0.19 -4.08 0.05 0.00 -1.56 0.00 0.00 34.95 29.17 3jty s ARG 50 CO -0.10 -0.96 0.81 1.21 -0.81 0.00 0.00 175.30 175.45 3jty s ASN 51 N 2.35 6.30 0.19 -2.12 2.47 0.11 -0.29 114.94 123.96 3jty s ASN 51 Ca 0.04 -0.54 -0.31 0.00 0.42 0.00 0.00 52.86 52.47 3jty s ASN 51 Cb -0.23 -2.38 -0.10 0.00 -1.45 0.00 0.00 41.25 37.09 3jty s ASN 51 CO 0.07 -1.08 1.51 -0.36 -3.72 0.00 0.00 177.10 173.52 3jty s PHE 52 N 3.41 3.06 -0.15 0.43 0.08 0.19 -0.79 117.98 124.21 3jty s PHE 52 Ca 0.25 0.80 0.17 0.00 0.12 0.00 0.00 56.93 58.26 3jty s PHE 52 Cb -0.15 -3.87 0.31 0.00 -0.57 0.00 0.00 43.02 38.75 3jty s PHE 52 CO 0.17 -3.06 1.19 -2.37 -0.10 0.00 0.00 175.22 171.05 3jty n THR 53 N 3.38 1.88 -5.19 0.64 5.66 -1.12 -4.82 114.28 114.71 3jty n THR 53 Ca 0.11 -2.07 -0.30 0.00 -3.05 0.00 0.00 64.05 58.74 3jty n THR 53 Cb 0.39 -0.17 -0.16 0.00 -1.55 0.00 0.00 70.33 68.84 3jty n THR 53 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3jty s ASN 54 N -2.52 2.84 0.00 1.09 3.84 -1.26 -4.99 114.94 113.95 3jty s ASN 54 Ca 0.31 -0.46 0.26 0.00 0.21 0.00 0.00 52.86 53.19 3jty s ASN 54 Cb 0.27 -0.55 0.76 0.00 -0.55 0.00 0.00 41.25 41.18 3jty s ASN 54 CO 0.04 0.26 1.58 -0.81 -2.79 0.00 0.00 177.10 175.38 3jty n PRO 55 N 2.74 1.88 0.18 0.43 -0.04 -1.26 -2.90 135.00 136.03 3jty n PRO 55 Ca -0.17 -1.29 0.13 0.00 -0.04 0.00 0.00 63.50 62.13 3jty n PRO 55 Cb 0.52 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.79 3jty n PRO 55 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3jty h THR 56 N 3.03 0.00 -3.40 0.52 2.02 -1.96 -3.45 112.91 109.67 3jty h THR 56 Ca 0.00 -0.79 -0.59 0.00 0.77 0.00 0.00 66.41 65.80 3jty h THR 56 Cb 0.65 1.79 -0.10 0.00 -1.74 0.00 0.00 68.15 68.74 3jty h THR 56 CO 0.00 0.00 -0.18 -0.75 0.37 0.00 0.00 175.52 174.96 3jty s LYS 57 N -3.19 4.25 0.00 6.66 2.20 -1.14 -5.02 119.74 123.50 3jty s LYS 57 Ca 0.08 0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 55.76 3jty s LYS 57 Cb 0.08 -3.49 -0.13 0.00 -1.51 0.00 0.00 37.83 32.78 3jty s LYS 57 CO 0.64 0.06 0.99 0.00 -0.36 0.00 0.00 175.35 176.67 3jty h ALA 58 N 7.06 -0.87 -2.34 3.13 0.00 -1.87 -3.42 119.26 120.95 3jty h ALA 58 Ca -0.38 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 3jty h ALA 58 Cb 1.17 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.28 3jty h ALA 58 CO 0.74 -0.81 1.10 -1.14 0.00 0.00 0.00 179.25 179.15 3jty s GLN 59 N -4.26 4.17 0.11 0.00 0.74 -1.26 -4.92 119.66 114.24 3jty s GLN 59 Ca -0.12 2.34 -0.02 0.00 0.05 0.00 0.00 55.36 57.61 3jty s GLN 59 Cb 0.01 -3.93 -0.18 0.00 1.10 0.00 0.00 33.01 30.01 3jty s GLN 59 CO 0.36 -0.85 1.24 0.78 -0.55 0.00 0.00 175.29 176.27 3jty h GLY 60 N 9.89 0.31 -3.51 2.59 0.00 -1.90 -3.45 103.07 107.00 3jty h GLY 60 Ca -0.43 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.14 3jty h GLY 60 CO 0.94 0.60 -0.25 -1.59 0.00 0.00 0.00 176.54 176.24 3jty s LYS 61 N -2.92 0.87 -0.29 4.80 -2.85 -1.26 -0.64 119.74 117.45 3jty s LYS 61 Ca -0.04 -0.66 -0.01 0.00 -1.00 0.00 0.00 55.97 54.26 3jty s LYS 61 Cb 0.08 0.37 0.05 0.00 -2.06 0.00 0.00 37.83 36.27 3jty s LYS 61 CO 0.87 -0.29 -0.02 0.00 0.10 0.00 0.00 175.35 176.00 3jty s ALA 62 N -3.13 2.76 -0.10 0.59 0.00 0.60 -4.54 121.76 117.94 3jty s ALA 62 Ca -0.01 -1.76 -0.00 0.00 0.00 0.00 0.00 51.96 50.19 3jty s ALA 62 Cb 0.01 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.29 3jty s ALA 62 CO -0.07 -1.25 -0.07 -2.00 0.00 0.00 0.00 175.76 172.37 3jty s GLU 63 N 1.23 1.43 0.04 0.00 2.12 -0.53 -0.79 118.70 122.20 3jty s GLU 63 Ca -0.06 -0.23 -0.18 0.00 0.36 0.00 0.00 54.97 54.86 3jty s GLU 63 Cb -0.20 -1.47 0.03 0.00 0.26 0.00 0.00 34.13 32.76 3jty s GLU 63 CO -0.02 -0.22 0.40 -1.21 -0.54 0.00 0.00 175.26 173.67 3jty s GLU 64 N 1.55 0.90 -0.05 4.30 2.02 -0.64 -4.52 118.70 122.27 3jty s GLU 64 Ca 0.02 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 3jty s GLU 64 Cb -0.13 0.40 0.04 0.00 0.10 0.00 0.00 34.13 34.54 3jty s GLU 64 CO -0.06 -0.31 0.09 -0.46 0.02 0.00 0.00 175.26 174.54 3jty s TRP 65 N -2.41 -0.02 0.20 1.61 -0.00 -0.99 -0.66 118.94 116.66 3jty s TRP 65 Ca -0.06 0.35 0.04 0.00 -0.00 0.00 0.00 56.10 56.44 3jty s TRP 65 Cb -0.01 -0.36 -0.05 0.00 -0.00 0.00 0.00 33.47 33.05 3jty s TRP 65 CO -0.02 -0.19 -0.05 0.95 -0.00 0.00 0.00 176.95 177.63 3jty s THR 66 N 1.97 1.17 -0.05 5.86 -4.23 -0.23 0.56 115.64 120.70 3jty s THR 66 Ca 0.01 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 3jty s THR 66 Cb -0.12 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.58 3jty s THR 66 CO -0.04 -0.50 -0.12 -1.58 -0.54 0.00 0.00 174.62 171.83 3jty s GLN 67 N -3.80 1.48 0.04 3.99 2.00 -0.58 -0.93 119.66 121.86 3jty s GLN 67 Ca 0.24 -0.43 -0.03 0.00 -2.00 0.00 0.00 55.36 53.13 3jty s GLN 67 Cb 0.04 -1.28 -0.02 0.00 0.80 0.00 0.00 33.01 32.55 3jty s GLN 67 CO 0.06 0.11 0.04 -1.12 -0.50 0.00 0.00 175.29 173.88 3jty s SER 68 N 0.35 0.29 -0.20 6.67 0.01 -0.72 -0.81 113.70 119.28 3jty s SER 68 Ca -0.08 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.48 3jty s SER 68 Cb -0.12 0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.37 3jty s SER 68 CO 0.02 -0.52 0.01 -0.36 0.41 0.00 0.00 173.24 172.80 3jty s PHE 69 N -2.92 1.38 -0.33 2.43 0.08 0.26 -1.62 117.98 117.25 3jty s PHE 69 Ca -0.02 -1.06 -0.04 0.00 0.12 0.00 0.00 56.93 55.93 3jty s PHE 69 Cb 0.01 -1.17 0.05 0.00 -0.57 0.00 0.00 43.02 41.34 3jty s PHE 69 CO -0.06 -0.64 0.07 0.42 -0.10 0.00 0.00 175.22 174.91 3jty s ILE 70 N 1.74 3.43 -0.45 0.64 1.01 -0.07 -2.08 121.20 125.41 3jty s ILE 70 Ca -0.02 -1.31 -0.20 0.00 0.00 0.00 0.00 60.65 59.12 3jty s ILE 70 Cb -0.17 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.34 3jty s ILE 70 CO -0.07 -0.19 0.63 -0.22 0.00 0.00 0.00 174.94 175.08 3jty s LEU 71 N 1.32 4.57 -0.41 2.97 2.96 0.36 -1.07 118.68 129.38 3jty s LEU 71 Ca -0.02 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 3jty s LEU 71 Cb -0.20 -2.67 0.10 0.00 0.50 0.00 0.00 46.19 43.93 3jty s LEU 71 CO 0.01 -0.78 0.22 -0.62 -1.32 0.00 0.00 176.35 173.86 3jty s ASP 72 N 2.07 5.35 -0.23 3.68 -1.08 -0.98 0.47 116.67 125.94 3jty s ASP 72 Ca 0.21 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.33 3jty s ASP 72 Cb -0.15 -1.87 0.03 0.00 -1.46 0.00 0.00 42.92 39.48 3jty s ASP 72 CO 0.18 -0.55 -0.11 0.00 0.52 0.00 0.00 175.17 175.21 3jty s ALA 73 N 1.22 2.57 -0.17 3.66 0.00 0.19 -2.31 121.76 126.93 3jty s ALA 73 Ca 0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 3jty s ALA 73 Cb -0.23 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 3jty s ALA 73 CO -0.03 -0.81 -0.13 0.15 0.00 0.00 0.00 175.76 174.95 3jty s LYS 74 N 1.25 3.25 0.71 0.00 1.02 -0.33 0.12 119.74 125.76 3jty s LYS 74 Ca -0.01 -0.72 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 3jty s LYS 74 Cb -0.17 -2.70 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 3jty s LYS 74 CO -0.07 -0.02 1.04 -1.54 -0.92 0.00 0.00 175.35 173.84 3jty s SER 75 N 0.93 4.89 0.88 2.83 1.04 -0.80 -0.38 113.70 123.08 3jty s SER 75 Ca -0.03 0.59 -0.08 0.00 0.48 0.00 0.00 55.95 56.91 3jty s SER 75 Cb -0.15 -1.26 0.16 0.00 0.10 0.00 0.00 66.02 64.86 3jty s SER 75 CO -0.01 -1.58 0.96 0.61 0.98 0.00 0.00 173.24 174.20 3jty n GLY 76 N -2.96 -0.67 3.87 7.32 0.00 -0.89 -4.71 105.19 107.14 3jty n GLY 76 Ca 0.07 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 3jty n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jty s PHE 77 N -2.98 3.50 0.46 1.61 0.08 -1.26 -4.28 117.98 115.12 3jty s PHE 77 Ca 0.57 0.81 -0.23 0.00 0.12 0.00 0.00 56.93 58.20 3jty s PHE 77 Cb -0.02 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 3jty s PHE 77 CO 0.39 0.39 1.19 0.95 -0.10 0.00 0.00 175.22 178.04 3jty s THR 78 N -1.63 2.99 0.41 0.64 -4.23 -0.41 -2.98 115.64 110.44 3jty s THR 78 Ca 0.41 0.76 -0.25 0.00 -1.18 0.00 0.00 61.69 61.43 3jty s THR 78 Cb -0.13 -3.39 -0.08 0.00 1.34 0.00 0.00 72.50 70.24 3jty s THR 78 CO 0.21 0.00 1.23 -1.10 -0.54 0.00 0.00 174.62 174.43 3jty s GLN 79 N -2.65 3.95 0.00 3.99 -0.21 -1.26 -4.04 119.66 119.43 3jty s GLN 79 Ca 0.63 1.99 0.00 0.00 0.02 0.00 0.00 55.36 58.00 3jty s GLN 79 Cb -0.30 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3jty s GLN 79 CO 0.37 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 3jty n GLY 80 N 0.64 -0.05 0.13 3.09 0.00 -1.26 -4.85 105.19 102.90 3jty n GLY 80 Ca 0.05 -2.28 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 3jty n GLY 80 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jty h THR 81 N 0.00 0.79 -3.58 2.61 2.02 -1.93 -3.37 112.91 109.46 3jty h THR 81 Ca 0.00 -0.03 -0.67 0.00 0.77 0.00 0.00 66.41 66.48 3jty h THR 81 Cb 0.00 0.70 -0.33 0.00 -1.74 0.00 0.00 68.15 66.78 3jty h THR 81 CO 0.00 0.02 -0.75 -0.69 0.37 0.00 0.00 175.52 174.47 3jty s VAL 82 N -6.19 2.78 0.03 3.16 1.01 -1.26 -4.15 120.40 115.77 3jty s VAL 82 Ca -0.13 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.63 3jty s VAL 82 Cb 0.12 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3jty s VAL 82 CO 0.70 0.13 0.28 -0.83 0.00 0.00 0.00 175.10 175.38 3jty s GLY 83 N 1.28 2.25 0.08 4.51 0.00 -0.36 -4.88 107.32 110.20 3jty s GLY 83 Ca -0.02 -0.59 0.09 0.00 0.00 0.00 0.00 44.72 44.21 3jty s GLY 83 CO -0.04 -0.43 -0.25 -0.12 0.00 0.00 0.00 173.10 172.27 3jty s PHE 84 N -1.36 2.13 0.33 1.90 5.36 -1.26 -0.78 117.98 124.30 3jty s PHE 84 Ca 0.30 -0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 55.78 3jty s PHE 84 Cb -0.13 -1.21 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 3jty s PHE 84 CO 0.18 0.21 0.57 0.20 -1.46 0.00 0.00 175.22 174.92 3jty s GLY 85 N -1.62 0.88 -0.04 13.12 0.00 0.37 -1.28 107.32 118.74 3jty s GLY 85 Ca 0.11 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 3jty s GLY 85 CO 0.04 -0.68 0.08 -0.29 0.00 0.00 0.00 173.10 172.25 3jty s MET 86 N -3.12 -0.00 -0.09 2.90 1.75 -1.26 -1.53 119.30 117.95 3jty s MET 86 Ca 0.23 0.31 -0.01 0.00 -1.25 0.00 0.00 55.69 54.97 3jty s MET 86 Cb -0.02 -0.28 -0.03 0.00 2.84 0.00 0.00 34.83 37.34 3jty s MET 86 CO 0.15 -0.21 -0.04 -0.51 -0.65 0.00 0.00 175.02 173.76 3jty s ASP 87 N 1.41 4.88 -0.08 1.11 1.01 0.66 -1.90 116.67 123.75 3jty s ASP 87 Ca -0.06 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.26 3jty s ASP 87 Cb -0.12 -1.40 -0.00 0.00 1.01 0.00 0.00 42.92 42.40 3jty s ASP 87 CO -0.04 0.33 -0.23 -0.69 0.21 0.00 0.00 175.17 174.75 3jty s VAL 88 N -0.59 1.96 -0.34 -1.27 1.01 0.12 -0.59 120.40 120.71 3jty s VAL 88 Ca 0.09 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3jty s VAL 88 Cb -0.12 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.67 3jty s VAL 88 CO 0.02 0.54 0.05 -0.22 0.00 0.00 0.00 175.10 175.49 3jty s LEU 89 N 0.22 4.67 -0.36 3.92 2.96 0.23 -0.63 118.68 129.68 3jty s LEU 89 Ca -0.14 -2.03 -0.13 0.00 -0.22 0.00 0.00 54.13 51.61 3jty s LEU 89 Cb -0.16 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 3jty s LEU 89 CO 0.07 -0.38 0.25 -0.83 -1.32 0.00 0.00 176.35 174.14 3jty s GLY 90 N 1.07 1.97 -0.11 7.98 0.00 0.18 0.21 107.32 118.61 3jty s GLY 90 Ca 0.08 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.32 3jty s GLY 90 CO -0.07 0.81 -0.14 1.08 0.00 0.00 0.00 173.10 174.78 3jty s LEU 91 N 1.69 1.63 -0.19 0.66 1.43 -0.80 0.14 118.68 123.24 3jty s LEU 91 Ca 0.05 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3jty s LEU 91 Cb -0.18 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.07 3jty s LEU 91 CO 0.10 -0.01 0.49 -0.47 0.23 0.00 0.00 176.35 176.69 3jty s TYR 92 N 1.08 -0.59 -0.04 0.29 5.04 -0.88 -2.04 117.35 120.21 3jty s TYR 92 Ca -0.05 1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 55.93 3jty s TYR 92 Cb -0.15 0.24 0.02 0.00 0.35 0.00 0.00 41.96 42.42 3jty s TYR 92 CO -0.02 -0.30 0.10 0.45 -1.34 0.00 0.00 175.55 174.43 3jty s SER 93 N 0.61 -0.07 0.08 4.32 0.15 -0.44 -0.57 113.70 117.78 3jty s SER 93 Ca -0.03 0.19 0.09 0.00 0.70 0.00 0.00 55.95 56.90 3jty s SER 93 Cb -0.05 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 3jty s SER 93 CO -0.04 -0.09 -0.22 -1.48 1.20 0.00 0.00 173.24 172.62 3jty s LEU 94 N 0.60 2.48 0.08 3.45 2.34 0.01 -1.96 118.68 125.68 3jty s LEU 94 Ca -0.05 -0.57 -0.30 0.00 0.06 0.00 0.00 54.13 53.28 3jty s LEU 94 Cb -0.06 -1.41 -0.05 0.00 -0.56 0.00 0.00 46.19 44.10 3jty s LEU 94 CO -0.02 0.22 0.95 -0.75 -1.06 0.00 0.00 176.35 175.68 3jty s LYS 95 N -1.73 4.65 -0.11 1.48 2.20 0.18 -1.53 119.74 124.89 3jty s LYS 95 Ca 0.15 1.41 0.13 0.00 -0.36 0.00 0.00 55.97 57.30 3jty s LYS 95 Cb -0.10 -3.39 -0.19 0.00 -1.51 0.00 0.00 37.83 32.64 3jty s LYS 95 CO 0.06 0.16 0.12 1.28 -0.36 0.00 0.00 175.35 176.61 3jty n LEU 96 N 3.04 0.00 -3.58 5.43 4.77 0.19 -4.95 117.00 121.90 3jty n LEU 96 Ca 0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3jty n LEU 96 Cb 0.50 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 3jty n LEU 96 CO 0.51 0.25 0.43 -0.62 -1.33 0.00 0.00 177.39 176.63 3jty s ASP 97 N -4.44 -0.70 0.00 -1.43 2.15 -1.16 -4.96 116.67 106.13 3jty s ASP 97 Ca -0.06 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.01 3jty s ASP 97 Cb 0.05 1.02 0.00 0.00 -0.30 0.00 0.00 42.92 43.70 3jty s ASP 97 CO 0.58 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 3jty n GLY 98 N 1.84 3.16 0.00 2.66 0.00 -1.26 -2.36 105.19 109.22 3jty n GLY 98 Ca -0.16 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3jty n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 99 N 0.36 5.09 3.95 -0.02 0.00 -1.26 -5.02 105.19 108.29 3jty n GLY 99 Ca 0.00 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 3jty n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jty s LYS 100 N 2.30 3.47 0.00 1.61 1.02 -1.26 -4.02 119.74 122.86 3jty s LYS 100 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.44 3jty s LYS 100 Cb 0.00 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3jty s LYS 100 CO 0.00 0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 3jty n GLY 101 N -1.40 3.13 2.59 -3.33 0.00 -1.26 -4.82 105.19 100.09 3jty n GLY 101 Ca -0.07 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 3jty n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jty n THR 102 N 0.00 1.51 -2.76 2.61 -2.24 -1.26 -4.89 114.28 107.24 3jty n THR 102 Ca 0.00 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 58.11 3jty n THR 102 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3jty n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jty n GLY 103 N -0.26 3.55 0.00 3.38 0.00 -1.26 -1.45 105.19 109.15 3jty n GLY 103 Ca 0.20 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3jty n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 104 N 5.00 1.28 0.23 -0.02 0.00 -1.26 -4.61 105.19 105.81 3jty n GLY 104 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3jty n GLY 104 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3jty h THR 105 N 0.00 0.16 0.00 2.61 1.35 -1.91 -3.47 112.91 111.64 3jty h THR 105 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3jty h THR 105 Cb 0.00 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3jty h THR 105 CO 0.00 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.35 3jty n GLN 106 N -3.14 -0.06 0.31 4.72 6.02 -1.26 -4.86 117.38 119.11 3jty n GLN 106 Ca 0.03 0.01 0.17 0.00 -0.01 0.00 0.00 57.00 57.20 3jty n GLN 106 Cb 0.49 -2.98 0.91 0.00 1.02 0.00 0.00 30.24 29.68 3jty n GLN 106 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3jty h LEU 107 N 0.00 0.00 -7.73 1.08 3.38 -1.92 -3.37 115.31 106.75 3jty h LEU 107 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3jty h LEU 107 Cb 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.54 3jty h LEU 107 CO 0.00 0.00 -0.57 -0.76 0.09 0.00 0.00 178.44 177.20 3jty s LEU 108 N -5.67 1.68 0.57 1.67 1.43 -1.26 -4.46 118.68 112.64 3jty s LEU 108 Ca -0.04 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 3jty s LEU 108 Cb 0.10 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.71 3jty s LEU 108 CO 0.30 -0.20 1.33 -2.65 0.23 0.00 0.00 176.35 175.37 3jty n PRO 109 N 2.24 1.54 -3.83 1.29 -0.02 -1.25 -4.88 135.00 130.10 3jty n PRO 109 Ca -0.18 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 3jty n PRO 109 Cb 0.57 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 3jty n PRO 109 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jty s LEU 110 N -3.60 3.62 0.27 2.45 1.43 -1.26 -1.09 118.68 120.50 3jty s LEU 110 Ca 0.74 -0.47 0.12 0.00 -1.03 0.00 0.00 54.13 53.50 3jty s LEU 110 Cb -0.41 -2.23 0.28 0.00 0.03 0.00 0.00 46.19 43.85 3jty s LEU 110 CO 0.47 -0.33 1.55 -2.24 0.23 0.00 0.00 176.35 176.03 3jty h ASP 111 N 1.26 0.00 -3.32 2.29 3.04 -2.01 -3.45 116.42 114.22 3jty h ASP 111 Ca -0.45 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 52.79 3jty h ASP 111 Cb 1.25 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.51 3jty h ASP 111 CO 0.58 0.63 0.48 -2.16 -2.04 0.00 0.00 179.24 176.73 3jty s PRO 116 N -3.32 4.48 0.59 4.15 0.05 -1.25 -5.31 135.00 134.39 3jty s PRO 116 Ca 0.00 1.40 -0.19 0.00 0.05 0.00 0.00 61.00 62.26 3jty s PRO 116 Cb 0.11 -3.51 -0.03 0.00 0.05 0.00 0.00 34.50 31.12 3jty s PRO 116 CO 0.75 -0.20 1.27 0.00 0.05 0.00 0.00 177.00 178.87 3jty s ALA 117 N 1.57 2.58 0.13 8.56 0.00 -0.25 -4.92 121.76 129.44 3jty s ALA 117 Ca 0.50 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.52 3jty s ALA 117 Cb -0.19 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3jty s ALA 117 CO 0.22 -1.32 1.36 -0.44 0.00 0.00 0.00 175.76 175.58 3jty h ASP 118 N 0.98 0.78 -5.27 0.00 3.32 -1.95 -3.44 116.42 110.84 3jty h ASP 118 Ca -0.51 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 55.94 3jty h ASP 118 Cb 1.31 -0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.51 3jty h ASP 118 CO 0.55 1.28 -0.26 0.54 -1.72 0.00 0.00 179.24 179.63 3jty s ASN 119 N -7.05 -0.01 0.20 6.45 2.20 -1.26 -0.64 114.94 114.83 3jty s ASN 119 Ca -0.09 -0.90 -0.23 0.00 -0.94 0.00 0.00 52.86 50.70 3jty s ASN 119 Cb 0.09 0.48 0.05 0.00 -2.00 0.00 0.00 41.25 39.88 3jty s ASN 119 CO 0.88 -0.97 0.89 0.72 -2.94 0.00 0.00 177.10 175.68 3jty s PHE 120 N -3.99 -0.12 -5.00 1.54 -0.00 -0.83 -5.01 117.98 104.57 3jty s PHE 120 Ca 0.20 -0.25 0.00 0.00 -0.00 0.00 0.00 56.93 56.88 3jty s PHE 120 Cb 0.02 0.67 0.00 0.00 -0.00 0.00 0.00 43.02 43.71 3jty s PHE 120 CO 0.03 -0.99 0.00 0.41 -0.00 0.00 0.00 175.22 174.68 3jty n GLY 121 N -0.48 -1.21 3.81 1.99 0.00 -1.26 -1.33 105.19 106.71 3jty n GLY 121 Ca -0.05 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 3jty n GLY 121 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jty s ARG 122 N -1.76 1.54 -0.20 1.61 1.70 -0.86 -4.74 118.95 116.23 3jty s ARG 122 Ca 0.00 -0.86 -0.06 0.00 -0.47 0.00 0.00 55.73 54.34 3jty s ARG 122 Cb 0.00 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 3jty s ARG 122 CO 0.00 -0.71 0.02 -1.17 -1.08 0.00 0.00 175.30 172.36 3jty s LEU 123 N -2.95 3.34 -0.31 -1.89 2.96 -1.26 -1.90 118.68 116.67 3jty s LEU 123 Ca 0.12 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3jty s LEU 123 Cb -0.04 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.83 3jty s LEU 123 CO 0.05 0.06 0.07 -0.83 -1.32 0.00 0.00 176.35 174.39 3jty s GLY 124 N 1.01 1.80 -0.08 7.98 0.00 0.13 -4.97 107.32 113.18 3jty s GLY 124 Ca 0.02 -1.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 3jty s GLY 124 CO 0.02 0.70 0.05 0.14 0.00 0.00 0.00 173.10 174.01 3jty s VAL 125 N 1.42 4.71 0.01 1.40 1.01 -1.26 0.74 120.40 128.43 3jty s VAL 125 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3jty s VAL 125 Cb -0.18 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3jty s VAL 125 CO 0.02 0.57 -0.02 0.00 0.00 0.00 0.00 175.10 175.67 3jty s ALA 126 N -0.97 0.11 0.12 5.51 0.00 0.25 -0.79 121.76 125.99 3jty s ALA 126 Ca 0.15 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3jty s ALA 126 Cb -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3jty s ALA 126 CO 0.04 -0.06 0.06 -0.06 0.00 0.00 0.00 175.76 175.75 3jty s PHE 127 N -0.69 3.08 -0.09 0.00 0.08 -0.17 -0.25 117.98 119.94 3jty s PHE 127 Ca -0.07 -0.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 3jty s PHE 127 Cb -0.05 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3jty s PHE 127 CO -0.00 0.51 0.28 -1.59 -0.10 0.00 0.00 175.22 174.32 3jty s LYS 128 N -2.63 0.40 0.08 0.44 -2.85 -0.58 -1.01 119.74 113.59 3jty s LYS 128 Ca 0.28 0.25 0.07 0.00 -1.00 0.00 0.00 55.97 55.57 3jty s LYS 128 Cb -0.11 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 3jty s LYS 128 CO 0.21 -0.07 -0.19 0.00 0.10 0.00 0.00 175.35 175.40 3jty s ALA 129 N -0.21 1.61 -0.16 0.59 0.00 -0.51 -0.48 121.76 122.61 3jty s ALA 129 Ca -0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 3jty s ALA 129 Cb -0.03 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.92 3jty s ALA 129 CO 0.01 0.31 0.01 0.50 0.00 0.00 0.00 175.76 176.59 3jty s ARG 130 N -1.73 0.83 -0.17 0.00 3.52 0.04 -1.62 118.95 119.82 3jty s ARG 130 Ca 0.04 -0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.30 3jty s ARG 130 Cb -0.10 -1.83 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 3jty s ARG 130 CO 0.03 -0.51 -0.11 -1.17 -0.81 0.00 0.00 175.30 172.73 3jty s LEU 131 N 1.83 2.72 0.00 -0.88 2.96 -0.82 -1.23 118.68 123.25 3jty s LEU 131 Ca 0.01 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3jty s LEU 131 Cb -0.16 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3jty s LEU 131 CO -0.07 0.08 0.00 -0.24 -1.32 0.00 0.00 176.35 174.80 3jty n SER 132 N 4.11 0.00 -0.66 3.68 2.88 -1.26 -1.43 113.62 120.94 3jty n SER 132 Ca -0.18 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.41 3jty n SER 132 Cb 0.52 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.09 3jty n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3jty n GLN 133 N 0.00 0.90 -4.84 -1.46 3.00 -1.26 -5.04 117.38 108.68 3jty n GLN 133 Ca 0.00 -2.46 -0.30 0.00 -0.01 0.00 0.00 57.00 54.22 3jty n GLN 133 Cb 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 30.24 29.03 3jty n GLN 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3jty s THR 134 N -1.89 1.79 0.06 5.09 2.01 -0.52 -1.24 115.64 120.94 3jty s THR 134 Ca 0.30 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.52 3jty s THR 134 Cb 0.29 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3jty s THR 134 CO -0.06 0.50 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.62 3jty s GLU 135 N 0.63 2.15 0.02 4.92 2.02 0.50 -1.95 118.70 126.99 3jty s GLU 135 Ca -0.13 -0.96 0.08 0.00 0.02 0.00 0.00 54.97 53.98 3jty s GLU 135 Cb -0.16 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 3jty s GLU 135 CO 0.04 0.54 -0.23 0.08 0.02 0.00 0.00 175.26 175.70 3jty s VAL 136 N -1.04 2.35 -0.11 2.63 1.01 -0.64 -0.43 120.40 124.18 3jty s VAL 136 Ca 0.17 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3jty s VAL 136 Cb -0.11 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.41 3jty s VAL 136 CO 0.08 0.42 0.14 -0.75 0.00 0.00 0.00 175.10 175.00 3jty s LYS 137 N -1.12 0.04 -0.03 2.72 2.20 0.71 -1.43 119.74 122.84 3jty s LYS 137 Ca 0.12 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.16 3jty s LYS 137 Cb -0.10 -0.69 -0.01 0.00 -1.51 0.00 0.00 37.83 35.52 3jty s LYS 137 CO 0.02 -0.42 -0.17 0.14 -0.36 0.00 0.00 175.35 174.56 3jty s VAL 138 N 2.26 1.41 0.00 4.02 -7.23 -0.18 -1.00 120.40 119.67 3jty s VAL 138 Ca 0.04 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3jty s VAL 138 Cb -0.13 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.62 3jty s VAL 138 CO -0.07 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 3jty n GLY 139 N 2.87 0.31 2.99 2.32 0.00 -0.66 -1.00 105.19 112.03 3jty n GLY 139 Ca -0.16 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 3jty n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jty s GLU 140 N -0.51 1.65 0.11 1.61 2.12 0.03 -0.68 118.70 123.04 3jty s GLU 140 Ca 0.00 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 3jty s GLU 140 Cb 0.00 -1.45 0.01 0.00 0.26 0.00 0.00 34.13 32.95 3jty s GLU 140 CO 0.00 -0.05 0.20 -2.67 -0.54 0.00 0.00 175.26 172.19 3jty n TRP 141 N 4.11 -1.15 -3.55 5.30 2.14 -1.05 -3.79 117.44 119.45 3jty n TRP 141 Ca -0.20 -0.59 -0.41 0.00 2.07 0.00 0.00 57.50 58.37 3jty n TRP 141 Cb 0.51 0.23 -0.07 0.00 -0.81 0.00 0.00 31.31 31.17 3jty n TRP 141 CO 0.00 0.00 0.00 1.41 2.07 0.00 0.00 177.69 181.17 3jty s MET 142 N -2.10 2.94 0.20 -2.67 -2.45 -1.26 -2.07 119.30 111.89 3jty s MET 142 Ca 0.06 -2.41 -0.30 0.00 -1.25 0.00 0.00 55.69 51.79 3jty s MET 142 Cb -0.01 -4.02 -0.08 0.00 1.25 0.00 0.00 34.83 31.97 3jty s MET 142 CO 0.04 -1.22 1.11 -1.25 1.05 0.00 0.00 175.02 174.75 3jty s PRO 143 N 0.20 4.60 -0.62 4.11 0.04 -1.26 -4.95 135.00 137.12 3jty s PRO 143 Ca 0.16 1.75 0.05 0.00 0.04 0.00 0.00 61.00 62.99 3jty s PRO 143 Cb -0.17 -3.25 0.17 0.00 0.04 0.00 0.00 34.50 31.28 3jty s PRO 143 CO -0.05 0.10 0.45 0.14 0.04 0.00 0.00 177.00 177.68 3jty s VAL 144 N -0.44 2.20 0.12 -0.36 -7.23 -1.26 -1.75 120.40 111.69 3jty s VAL 144 Ca 0.48 -3.83 0.06 0.00 -1.81 0.00 0.00 61.98 56.89 3jty s VAL 144 Cb -0.30 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 3jty s VAL 144 CO 0.36 -1.06 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.29 3jty s LEU 145 N -1.03 3.26 0.62 1.32 1.43 -0.50 -4.94 118.68 118.84 3jty s LEU 145 Ca 0.27 -0.33 0.40 0.00 -1.03 0.00 0.00 54.13 53.44 3jty s LEU 145 Cb -0.03 -1.99 2.00 0.00 0.03 0.00 0.00 46.19 46.20 3jty s LEU 145 CO -0.17 0.15 2.22 -0.65 0.23 0.00 0.00 176.35 178.12 3jty h PRO 146 N 3.26 0.00 -0.01 1.29 0.11 -2.00 -0.44 132.00 134.21 3jty h PRO 146 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jty h PRO 146 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jty h PRO 146 CO 0.56 0.00 -0.24 0.44 -0.21 0.00 0.00 178.00 178.55 3jty n ILE 147 N -3.10 0.00 -3.12 4.15 -6.64 -1.26 -4.78 119.36 104.61 3jty n ILE 147 Ca -0.02 -0.38 -0.09 0.00 -1.77 0.00 0.00 62.75 60.50 3jty n ILE 147 Cb 0.17 1.17 -0.03 0.00 -1.44 0.00 0.00 39.64 39.50 3jty n ILE 147 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 3jty s LEU 148 N -1.75 -0.77 -0.47 7.28 2.96 -0.22 -4.78 118.68 120.93 3jty s LEU 148 Ca 0.11 -1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 52.30 3jty s LEU 148 Cb 0.11 1.29 0.10 0.00 0.50 0.00 0.00 46.19 48.19 3jty s LEU 148 CO 0.31 -0.15 0.37 -0.60 -1.32 0.00 0.00 176.35 174.96 3jty s ARG 149 N 1.18 2.73 0.29 1.98 3.52 -0.94 -1.41 118.95 126.29 3jty s ARG 149 Ca 0.23 -1.58 -0.30 0.00 -0.13 0.00 0.00 55.73 53.95 3jty s ARG 149 Cb -0.04 -4.01 -0.11 0.00 -1.56 0.00 0.00 34.95 29.22 3jty s ARG 149 CO -0.07 -1.12 1.59 -1.12 -0.81 0.00 0.00 175.30 173.77 3jty s SER 150 N 2.71 6.39 -0.04 -2.12 0.01 -0.72 -0.74 113.70 119.19 3jty s SER 150 Ca 0.04 2.93 -0.25 0.00 1.31 0.00 0.00 55.95 59.99 3jty s SER 150 Cb -0.26 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.30 3jty s SER 150 CO 0.02 -0.91 0.75 -0.62 0.41 0.00 0.00 173.24 172.90 3jty s ASP 151 N 0.51 7.07 -0.36 2.44 2.15 -1.26 -4.63 116.67 122.58 3jty s ASP 151 Ca 0.63 1.29 0.10 0.00 0.43 0.00 0.00 52.55 55.00 3jty s ASP 151 Cb -0.48 -2.44 0.45 0.00 -0.30 0.00 0.00 42.92 40.15 3jty s ASP 151 CO 0.47 -0.12 1.09 -0.67 -0.17 0.00 0.00 175.17 175.77 3jty n ASP 152 N 3.68 3.74 -0.97 -0.34 2.03 -1.26 -0.83 116.55 122.60 3jty n ASP 152 Ca -0.00 -3.34 0.10 0.00 0.52 0.00 0.00 54.79 52.07 3jty n ASP 152 Cb 0.51 -0.45 0.26 0.00 -0.72 0.00 0.00 41.12 40.72 3jty n ASP 152 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jty n GLY 153 N -0.45 1.38 0.00 0.27 0.00 -1.26 -4.95 105.19 100.19 3jty n GLY 153 Ca 0.30 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3jty n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jty n ARG 154 N 1.07 0.08 -0.05 1.61 5.12 -1.26 -5.06 116.66 118.17 3jty n ARG 154 Ca 0.18 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 3jty n ARG 154 Cb 0.48 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.69 3jty n ARG 154 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3jty h SER 155 N 0.00 -0.01 -4.28 0.55 0.02 -1.81 -3.47 113.55 104.54 3jty h SER 155 Ca 0.00 -0.66 -0.40 0.00 -0.84 0.00 0.00 61.79 59.90 3jty h SER 155 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.29 3jty h SER 155 CO 0.00 0.80 -0.78 -0.76 -1.14 0.00 0.00 176.83 174.95 3jty s LEU 156 N -8.40 2.13 0.80 5.07 1.43 -1.26 -4.89 118.68 113.55 3jty s LEU 156 Ca -0.13 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3jty s LEU 156 Cb -0.02 -0.48 0.07 0.00 0.03 0.00 0.00 46.19 45.80 3jty s LEU 156 CO 0.48 0.02 1.12 -2.16 0.23 0.00 0.00 176.35 176.04 3jty s PRO 157 N -0.86 1.96 0.37 1.29 0.04 -1.26 -4.47 135.00 132.07 3jty s PRO 157 Ca 0.00 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 3jty s PRO 157 Cb -0.07 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3jty s PRO 157 CO 0.01 -1.89 1.18 -1.14 0.04 0.00 0.00 177.00 175.20 3jty s GLN 158 N -4.66 4.20 0.09 4.56 0.74 -0.01 -4.57 119.66 120.02 3jty s GLN 158 Ca 0.64 1.90 0.01 0.00 0.05 0.00 0.00 55.36 57.97 3jty s GLN 158 Cb -0.20 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 3jty s GLN 158 CO 0.54 -0.21 -0.06 0.95 -0.55 0.00 0.00 175.29 175.96 3jty s THR 159 N -1.33 0.62 0.13 -0.34 -4.23 -0.31 -4.67 115.64 105.51 3jty s THR 159 Ca 0.54 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 3jty s THR 159 Cb -0.32 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 3jty s THR 159 CO 0.41 -0.85 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.17 3jty s PHE 160 N -3.48 1.28 -0.17 3.99 0.08 -0.88 0.10 117.98 118.91 3jty s PHE 160 Ca 0.09 -0.65 -0.03 0.00 0.12 0.00 0.00 56.93 56.46 3jty s PHE 160 Cb 0.04 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 3jty s PHE 160 CO -0.05 0.10 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.14 3jty s ARG 161 N -3.10 3.57 0.00 0.44 1.70 -0.37 -2.53 118.95 118.66 3jty s ARG 161 Ca 0.11 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 3jty s ARG 161 Cb -0.02 -2.90 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 3jty s ARG 161 CO 0.02 0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.79 3jty n GLY 162 N 3.80 0.98 3.24 3.88 0.00 0.15 0.31 105.19 117.55 3jty n GLY 162 Ca -0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 3jty n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jty s GLY 163 N 0.00 -0.16 -0.05 -0.02 0.00 0.12 -1.66 107.32 105.56 3jty s GLY 163 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 3jty s GLY 163 CO 0.00 0.13 0.17 1.62 0.00 0.00 0.00 173.10 175.02 3jty s GLN 164 N -1.33 0.30 -0.07 2.90 0.74 -0.17 -1.13 119.66 120.91 3jty s GLN 164 Ca -0.14 0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.35 3jty s GLN 164 Cb -0.05 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.17 3jty s GLN 164 CO 0.04 -0.05 -0.13 -1.50 -0.55 0.00 0.00 175.29 173.10 3jty s ILE 165 N -0.37 3.16 -0.10 -2.34 2.07 -0.02 -0.21 121.20 123.39 3jty s ILE 165 Ca -0.05 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 3jty s ILE 165 Cb -0.03 -2.26 0.02 0.00 0.13 0.00 0.00 42.46 40.32 3jty s ILE 165 CO 0.01 0.58 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.64 3jty s THR 166 N -0.49 1.02 -0.10 4.00 2.01 0.43 -1.83 115.64 120.67 3jty s THR 166 Ca 0.07 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3jty s THR 166 Cb -0.12 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.39 3jty s THR 166 CO 0.02 0.36 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.59 3jty s SER 167 N 1.48 2.46 -0.30 3.53 0.15 0.12 -0.37 113.70 120.76 3jty s SER 167 Ca 0.01 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.31 3jty s SER 167 Cb -0.13 -1.12 0.46 0.00 -1.71 0.00 0.00 66.02 63.52 3jty s SER 167 CO -0.06 0.05 1.16 0.29 1.20 0.00 0.00 173.24 175.89 3jty n LYS 168 N 4.01 3.27 0.00 5.44 5.02 -0.37 -0.78 118.16 134.75 3jty n LYS 168 Ca -0.20 -4.09 -0.13 0.00 -2.02 0.00 0.00 58.31 51.87 3jty n LYS 168 Cb 0.52 -2.16 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 3jty n LYS 168 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3jty h GLU 169 N 2.30 -0.01 -6.36 1.97 4.39 -1.78 -3.43 114.58 111.66 3jty h GLU 169 Ca 0.28 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.43 3jty h GLU 169 Cb 1.43 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.04 3jty h GLU 169 CO 0.68 0.37 0.02 0.42 -1.16 0.00 0.00 179.01 179.34 3jty s ILE 170 N -4.68 4.66 0.11 3.13 1.01 -1.26 -5.01 121.20 119.16 3jty s ILE 170 Ca -0.15 1.25 -0.31 0.00 0.00 0.00 0.00 60.65 61.44 3jty s ILE 170 Cb 0.03 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 3jty s ILE 170 CO 0.67 0.43 1.47 0.00 0.00 0.00 0.00 174.94 177.51 3jty s ALA 171 N -1.25 3.65 0.00 9.38 0.00 -1.26 -2.43 121.76 129.85 3jty s ALA 171 Ca 0.34 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3jty s ALA 171 Cb -0.19 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3jty s ALA 171 CO 0.21 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3jty n GLY 172 N 3.64 2.40 3.53 0.00 0.00 -1.26 -4.96 105.19 108.54 3jty n GLY 172 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3jty n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jty s LEU 173 N 0.00 3.61 -0.21 0.99 2.96 -1.02 -0.75 118.68 124.26 3jty s LEU 173 Ca 0.00 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3jty s LEU 173 Cb 0.00 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.75 3jty s LEU 173 CO 0.00 0.05 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.09 3jty s THR 174 N 1.10 2.82 -0.12 3.68 2.01 0.60 -4.35 115.64 121.38 3jty s THR 174 Ca 0.04 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 3jty s THR 174 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3jty s THR 174 CO 0.03 0.43 0.06 -0.76 -0.69 0.00 0.00 174.62 173.69 3jty s LEU 175 N 1.39 3.89 -0.01 4.42 1.43 0.04 -0.16 118.68 129.68 3jty s LEU 175 Ca 0.05 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3jty s LEU 175 Cb -0.14 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3jty s LEU 175 CO -0.07 0.35 -0.13 -0.31 0.23 0.00 0.00 176.35 176.41 3jty s TYR 176 N -0.67 1.20 -0.22 0.29 2.02 0.11 -0.71 117.35 119.37 3jty s TYR 176 Ca 0.12 -0.24 -0.16 0.00 -0.37 0.00 0.00 57.07 56.41 3jty s TYR 176 Cb -0.12 -0.77 0.06 0.00 -0.40 0.00 0.00 41.96 40.74 3jty s TYR 176 CO 0.02 -0.02 0.56 0.20 -1.57 0.00 0.00 175.55 174.75 3jty s GLY 177 N -0.38 -0.46 -0.00 0.71 0.00 -0.76 -1.28 107.32 105.15 3jty s GLY 177 Ca 0.05 1.79 -0.24 0.00 0.00 0.00 0.00 44.72 46.32 3jty s GLY 177 CO -0.00 1.71 1.09 0.61 0.00 0.00 0.00 173.10 176.50 3jty n GLY 178 N 3.50 0.31 3.25 0.20 0.00 -0.84 -0.84 105.19 110.77 3jty n GLY 178 Ca -0.17 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 3jty n GLY 178 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jty s GLN 179 N -2.02 0.41 -0.00 1.61 0.74 -0.28 -2.08 119.66 118.05 3jty s GLN 179 Ca 0.26 0.54 0.07 0.00 0.05 0.00 0.00 55.36 56.28 3jty s GLN 179 Cb -0.01 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.25 3jty s GLN 179 CO -0.00 -0.07 -0.23 -0.06 -0.55 0.00 0.00 175.29 174.38 3jty s PHE 180 N 0.39 2.01 -0.00 1.67 0.08 -0.22 0.11 117.98 122.02 3jty s PHE 180 Ca -0.02 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.66 3jty s PHE 180 Cb -0.04 -1.27 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 3jty s PHE 180 CO -0.02 -0.01 0.00 0.54 -0.10 0.00 0.00 175.22 175.64 3jty n ARG 181 N 2.39 3.62 -4.21 0.44 1.74 0.15 -1.13 116.66 119.66 3jty n ARG 181 Ca -0.16 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.78 3jty n ARG 181 Cb 0.52 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.85 3jty n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jty s ALA 182 N -2.01 1.27 -0.00 7.54 0.00 -1.18 -4.58 121.76 122.80 3jty s ALA 182 Ca -0.00 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.67 3jty s ALA 182 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3jty s ALA 182 CO 0.02 -0.06 -0.13 1.21 0.00 0.00 0.00 175.76 176.80 3jty s ASN 183 N -2.77 1.51 -0.36 0.00 2.47 -0.41 -1.23 114.94 114.15 3jty s ASN 183 Ca 0.11 -0.27 0.01 0.00 0.42 0.00 0.00 52.86 53.13 3jty s ASN 183 Cb -0.00 -0.16 0.11 0.00 -1.45 0.00 0.00 41.25 39.75 3jty s ASN 183 CO 0.00 0.14 0.14 -0.55 -3.72 0.00 0.00 177.10 173.10 3jty s SER 184 N -0.43 4.07 1.22 -4.21 0.15 0.12 -1.52 113.70 113.09 3jty s SER 184 Ca 0.04 -2.09 -0.15 0.00 0.70 0.00 0.00 55.95 54.45 3jty s SER 184 Cb -0.05 -1.10 0.28 0.00 -1.71 0.00 0.00 66.02 63.44 3jty s SER 184 CO -0.00 -0.36 0.80 -2.65 1.20 0.00 0.00 173.24 172.23 3jty n PRO 185 N 4.27 -2.74 0.19 5.44 -0.02 -1.26 -1.16 135.00 139.72 3jty n PRO 185 Ca 0.03 -0.78 0.04 0.00 -2.02 0.00 0.00 63.50 60.77 3jty n PRO 185 Cb 0.39 -2.03 0.39 0.00 -0.02 0.00 0.00 33.50 32.23 3jty n PRO 185 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3jty h ARG 186 N -2.75 0.00 -1.11 -0.52 0.11 -1.81 -2.87 114.38 105.43 3jty h ARG 186 Ca -0.59 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 58.92 3jty h ARG 186 Cb 1.33 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 32.16 3jty h ARG 186 CO 0.45 0.36 0.74 -0.40 0.10 0.00 0.00 179.97 181.22 3jty n ASP 187 N -3.85 6.86 -3.65 0.08 5.75 -1.26 -4.45 116.55 116.03 3jty n ASP 187 Ca -0.01 -3.59 -0.15 0.00 -0.01 0.00 0.00 54.79 51.03 3jty n ASP 187 Cb 0.43 -0.97 -0.08 0.00 -1.03 0.00 0.00 41.12 39.47 3jty n ASP 187 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3jty s ASP 188 N -1.30 -0.54 -0.01 -1.12 -1.08 -1.09 -3.77 116.67 107.76 3jty s ASP 188 Ca 0.56 0.84 0.17 0.00 -0.52 0.00 0.00 52.55 53.59 3jty s ASP 188 Cb 0.44 0.84 -0.19 0.00 -1.46 0.00 0.00 42.92 42.55 3jty s ASP 188 CO 0.01 -0.36 0.63 -1.20 0.52 0.00 0.00 175.17 174.76 3jty n SER 189 N 1.96 0.63 -4.86 -0.34 7.64 -1.26 -4.65 113.62 112.74 3jty n SER 189 Ca -0.17 0.28 -0.23 0.00 1.01 0.00 0.00 58.87 59.76 3jty n SER 189 Cb 0.56 0.44 0.07 0.00 -1.01 0.00 0.00 64.21 64.27 3jty n SER 189 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3jty s SER 190 N -5.66 4.86 -0.08 6.43 1.04 -1.26 -4.71 113.70 114.32 3jty s SER 190 Ca -0.05 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.42 3jty s SER 190 Cb 0.09 -0.70 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 3jty s SER 190 CO 0.83 -1.49 -0.12 -0.04 0.98 0.00 0.00 173.24 173.40 3jty s MET 191 N -5.02 2.82 0.24 4.02 -1.94 -1.26 -4.29 119.30 113.86 3jty s MET 191 Ca 0.61 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.85 3jty s MET 191 Cb -0.09 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 3jty s MET 191 CO 0.42 0.52 0.37 0.45 -0.01 0.00 0.00 175.02 176.77 3jty s SER 192 N -0.44 0.03 0.44 3.03 0.15 -0.58 -4.90 113.70 111.42 3jty s SER 192 Ca 0.06 -1.10 -0.22 0.00 0.70 0.00 0.00 55.95 55.39 3jty s SER 192 Cb -0.12 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.62 3jty s SER 192 CO 0.02 -1.05 0.99 -1.81 1.20 0.00 0.00 173.24 172.59 3jty s ASP 193 N -3.07 6.73 0.49 5.45 1.01 -1.26 -1.28 116.67 124.74 3jty s ASP 193 Ca 0.28 1.83 -0.08 0.00 0.71 0.00 0.00 52.55 55.29 3jty s ASP 193 Cb 0.02 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3jty s ASP 193 CO 0.10 -0.51 0.84 -0.04 0.21 0.00 0.00 175.17 175.78 3jty s MET 194 N -3.01 3.64 0.18 8.23 -1.94 -0.65 -4.82 119.30 120.93 3jty s MET 194 Ca 0.62 0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 54.91 3jty s MET 194 Cb -0.14 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.39 3jty s MET 194 CO 0.18 -0.23 0.36 -1.54 -0.01 0.00 0.00 175.02 173.78 3jty s SER 195 N -3.81 -0.04 0.02 3.03 1.04 -1.26 -0.83 113.70 111.84 3jty s SER 195 Ca 0.50 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.82 3jty s SER 195 Cb -0.10 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3jty s SER 195 CO 0.42 -0.96 1.12 -0.32 0.98 0.00 0.00 173.24 174.49 3jty s MET 196 N -3.96 4.46 -0.17 4.02 1.75 -1.26 0.33 119.30 124.47 3jty s MET 196 Ca 0.17 1.63 -0.41 0.00 -1.25 0.00 0.00 55.69 55.83 3jty s MET 196 Cb 0.02 -3.42 -0.19 0.00 2.84 0.00 0.00 34.83 34.08 3jty s MET 196 CO 0.01 -0.23 1.39 0.34 -0.65 0.00 0.00 175.02 175.88 3jty n PHE 197 N 4.17 1.37 -0.82 4.11 -0.00 0.12 -0.86 117.46 125.55 3jty n PHE 197 Ca 0.08 0.91 0.00 0.00 -0.00 0.00 0.00 57.45 58.45 3jty n PHE 197 Cb 0.48 -2.24 0.00 0.00 -0.00 0.00 0.00 39.48 37.72 3jty n PHE 197 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3jty n GLY 198 N 2.87 0.69 2.23 7.13 0.00 -1.26 -4.84 105.19 112.00 3jty n GLY 198 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 3jty n GLY 198 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jty n LYS 199 N -2.57 0.85 0.00 1.61 5.02 -0.04 -5.00 118.16 118.03 3jty n LYS 199 Ca 0.00 -3.20 0.16 0.00 -2.02 0.00 0.00 58.31 53.25 3jty n LYS 199 Cb 0.00 -1.45 0.92 0.00 -0.02 0.00 0.00 35.03 34.48 3jty n LYS 199 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jty n ALA 200 N 0.83 2.66 0.21 7.82 0.00 -1.26 -3.06 120.51 127.71 3jty n ALA 200 Ca 0.22 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3jty n ALA 200 Cb 0.60 -1.51 0.16 0.00 0.00 0.00 0.00 19.45 18.70 3jty n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jty h ALA 201 N 3.94 0.96 -3.10 0.00 0.00 -1.94 -3.45 119.26 115.67 3jty h ALA 201 Ca 0.00 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 3jty h ALA 201 Cb 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 3jty h ALA 201 CO 0.00 0.08 -0.78 -0.06 0.00 0.00 0.00 179.25 178.49 3jty s PHE 202 N -3.19 2.86 0.34 0.00 0.08 -1.17 -5.11 117.98 111.78 3jty s PHE 202 Ca 0.07 -1.07 0.06 0.00 0.12 0.00 0.00 56.93 56.11 3jty s PHE 202 Cb 0.05 -1.98 -0.07 0.00 -0.57 0.00 0.00 43.02 40.46 3jty s PHE 202 CO 0.68 -0.54 -0.01 0.95 -0.10 0.00 0.00 175.22 176.21 3jty s THR 203 N 1.12 1.67 -0.10 0.64 -4.23 -1.26 -4.22 115.64 109.25 3jty s THR 203 Ca 0.01 -2.06 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 3jty s THR 203 Cb -0.14 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.02 3jty s THR 203 CO -0.03 -0.11 0.54 -0.55 -0.54 0.00 0.00 174.62 173.93 3jty s SER 204 N -3.55 -0.51 -0.17 3.99 0.15 -0.01 -4.98 113.70 108.61 3jty s SER 204 Ca 0.34 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.85 3jty s SER 204 Cb 0.07 0.69 0.53 0.00 -1.71 0.00 0.00 66.02 65.60 3jty s SER 204 CO 0.15 -0.43 1.42 -0.90 1.20 0.00 0.00 173.24 174.69 3jty n ASP 205 N 1.65 3.88 -3.69 5.45 5.68 -1.26 -1.63 116.55 126.63 3jty n ASP 205 Ca -0.18 -2.99 -0.21 0.00 -0.50 0.00 0.00 54.79 50.91 3jty n ASP 205 Cb 0.56 -0.54 -0.18 0.00 -1.14 0.00 0.00 41.12 39.83 3jty n ASP 205 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3jty s ARG 206 N -2.78 0.08 -0.24 0.11 1.81 -1.26 -4.47 118.95 112.20 3jty s ARG 206 Ca 0.42 0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 54.70 3jty s ARG 206 Cb 0.34 -0.74 0.03 0.00 -0.45 0.00 0.00 34.95 34.13 3jty s ARG 206 CO 0.09 -0.36 -0.09 0.12 -0.68 0.00 0.00 175.30 174.38 3jty s PHE 207 N 2.12 3.05 0.02 -0.53 5.36 -0.28 -0.81 117.98 126.91 3jty s PHE 207 Ca 0.05 -1.70 0.01 0.00 -0.96 0.00 0.00 56.93 54.33 3jty s PHE 207 Cb -0.12 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 3jty s PHE 207 CO -0.04 -0.77 0.04 -0.80 -1.46 0.00 0.00 175.22 172.19 3jty s ASN 208 N 1.28 5.37 0.05 6.13 0.01 -0.16 -1.05 114.94 126.57 3jty s ASN 208 Ca -0.01 0.03 -0.14 0.00 -0.71 0.00 0.00 52.86 52.03 3jty s ASN 208 Cb -0.17 -1.45 0.02 0.00 0.41 0.00 0.00 41.25 40.07 3jty s ASN 208 CO -0.06 0.25 0.32 0.72 -1.51 0.00 0.00 177.10 176.82 3jty s PHE 209 N -1.20 -0.12 -0.07 2.20 -0.12 -0.88 -0.52 117.98 117.28 3jty s PHE 209 Ca 0.23 -0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 57.03 3jty s PHE 209 Cb -0.12 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3jty s PHE 209 CO 0.14 -0.51 0.20 -0.65 -0.05 0.00 0.00 175.22 174.35 3jty s GLN 210 N -2.57 0.27 0.03 1.99 1.11 -0.67 -1.98 119.66 117.83 3jty s GLN 210 Ca -0.05 0.21 -0.19 0.00 0.01 0.00 0.00 55.36 55.35 3jty s GLN 210 Cb -0.01 0.13 0.04 0.00 -1.01 0.00 0.00 33.01 32.16 3jty s GLN 210 CO -0.03 -0.04 0.42 0.20 0.01 0.00 0.00 175.29 175.85 3jty s GLY 211 N -0.05 -0.29 -0.04 3.09 0.00 -0.41 -0.68 107.32 108.95 3jty s GLY 211 Ca -0.02 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 3jty s GLY 211 CO 0.00 0.15 0.04 0.00 0.00 0.00 0.00 173.10 173.29 3jty s ALA 212 N -2.17 0.26 -0.20 3.20 0.00 -0.83 0.07 121.76 122.09 3jty s ALA 212 Ca -0.07 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.08 3jty s ALA 212 Cb -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3jty s ALA 212 CO -0.00 -0.32 -0.18 -1.21 0.00 0.00 0.00 175.76 174.05 3jty s GLU 213 N 1.68 2.78 -0.34 0.00 2.02 0.78 -2.57 118.70 123.05 3jty s GLU 213 Ca -0.01 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 53.99 3jty s GLU 213 Cb -0.13 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 31.53 3jty s GLU 213 CO -0.03 -0.30 0.09 -0.47 0.02 0.00 0.00 175.26 174.58 3jty s TYR 214 N 1.26 3.27 -0.18 1.61 5.04 -0.73 -0.29 117.35 127.33 3jty s TYR 214 Ca 0.02 -1.54 -0.11 0.00 -2.44 0.00 0.00 57.07 53.00 3jty s TYR 214 Cb -0.15 -2.30 -0.05 0.00 0.35 0.00 0.00 41.96 39.82 3jty s TYR 214 CO -0.11 -0.75 0.18 0.00 -1.34 0.00 0.00 175.55 173.53 3jty s ALA 215 N 1.37 3.68 0.00 3.97 0.00 0.07 -1.78 121.76 129.07 3jty s ALA 215 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3jty s ALA 215 Cb -0.20 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3jty s ALA 215 CO 0.02 0.20 0.00 1.97 0.00 0.00 0.00 175.76 177.95 3jty n PHE 216 N 3.33 0.00 0.00 0.00 1.16 -0.29 -4.61 117.46 117.05 3jty n PHE 216 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3jty n PHE 216 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 3jty n PHE 216 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3jty n ASN 217 N 0.00 0.00 -2.60 5.98 5.03 -1.26 -0.59 115.26 121.82 3jty n ASN 217 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 3jty n ASN 217 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.79 3jty n ASN 217 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3jty n ASP 218 N 1.01 6.39 -1.42 6.41 10.43 -1.26 -4.73 116.55 133.38 3jty n ASP 218 Ca 0.00 -3.79 -0.13 0.00 2.57 0.00 0.00 54.79 53.44 3jty n ASP 218 Cb 0.00 -0.79 -0.01 0.00 1.84 0.00 0.00 41.12 42.16 3jty n ASP 218 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3jty n LYS 219 N -0.59 -1.02 0.00 -1.24 4.76 0.24 -4.95 118.16 115.36 3jty n LYS 219 Ca 0.49 0.68 0.04 0.00 -2.87 0.00 0.00 58.31 56.65 3jty n LYS 219 Cb 0.51 -4.88 -0.02 0.00 -1.84 0.00 0.00 35.03 28.80 3jty n LYS 219 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3jty n ARG 220 N -2.30 2.82 -4.24 1.97 1.85 -1.16 -4.92 116.66 110.69 3jty n ARG 220 Ca -0.15 -0.38 -0.18 0.00 -1.00 0.00 0.00 57.85 56.13 3jty n ARG 220 Cb 0.59 -1.00 -0.15 0.00 -1.05 0.00 0.00 32.46 30.85 3jty n ARG 220 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3jty s THR 221 N -1.43 0.56 0.01 8.89 2.01 -1.25 -0.25 115.64 124.17 3jty s THR 221 Ca 0.06 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.82 3jty s THR 221 Cb 0.07 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 3jty s THR 221 CO 0.26 0.18 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.77 3jty s GLN 222 N 0.19 0.24 0.09 4.92 0.74 -0.38 -1.13 119.66 124.33 3jty s GLN 222 Ca -0.02 -0.26 0.07 0.00 0.05 0.00 0.00 55.36 55.20 3jty s GLN 222 Cb -0.07 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.87 3jty s GLN 222 CO -0.00 0.03 -0.18 0.96 -0.55 0.00 0.00 175.29 175.54 3jty s ILE 223 N -0.47 1.50 0.01 -2.34 -4.36 -0.73 -1.26 121.20 113.55 3jty s ILE 223 Ca -0.04 -1.46 -0.13 0.00 -0.26 0.00 0.00 60.65 58.76 3jty s ILE 223 Cb -0.04 -1.38 0.02 0.00 1.25 0.00 0.00 42.46 42.31 3jty s ILE 223 CO -0.00 -0.12 0.27 0.00 0.24 0.00 0.00 174.94 175.33 3jty s ALA 224 N -1.21 -0.66 -0.04 2.27 0.00 0.24 -1.78 121.76 120.58 3jty s ALA 224 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3jty s ALA 224 Cb -0.10 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.21 3jty s ALA 224 CO 0.04 -0.30 0.03 -1.17 0.00 0.00 0.00 175.76 174.35 3jty s LEU 225 N -1.60 0.63 0.03 0.00 2.96 -1.06 -1.44 118.68 118.20 3jty s LEU 225 Ca -0.11 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 3jty s LEU 225 Cb -0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 3jty s LEU 225 CO 0.01 -0.18 -0.16 0.26 -1.32 0.00 0.00 176.35 174.96 3jty s TRP 226 N 1.69 1.39 -0.07 5.38 0.52 0.15 -1.96 118.94 126.04 3jty s TRP 226 Ca -0.01 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.83 3jty s TRP 226 Cb -0.13 -0.84 -0.01 0.00 -1.15 0.00 0.00 33.47 31.34 3jty s TRP 226 CO -0.03 0.03 -0.24 1.21 0.02 0.00 0.00 176.95 177.94 3jty s ASN 227 N -0.94 3.13 -0.04 2.95 2.47 0.15 -1.26 114.94 121.39 3jty s ASN 227 Ca 0.04 -0.52 0.02 0.00 0.42 0.00 0.00 52.86 52.82 3jty s ASN 227 Cb -0.07 -1.07 0.01 0.00 -1.45 0.00 0.00 41.25 38.67 3jty s ASN 227 CO 0.01 0.21 -0.08 0.00 -3.72 0.00 0.00 177.10 173.52 3jty s ALA 228 N 0.02 0.92 -0.12 1.71 0.00 0.26 -1.67 121.76 122.88 3jty s ALA 228 Ca -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3jty s ALA 228 Cb -0.15 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3jty s ALA 228 CO 0.06 0.08 -0.08 1.14 0.00 0.00 0.00 175.76 176.96 3jty s GLN 229 N 0.57 1.64 -0.86 0.00 -2.07 0.32 0.73 119.66 120.00 3jty s GLN 229 Ca -0.10 -0.33 -0.23 0.00 -1.82 0.00 0.00 55.36 52.88 3jty s GLN 229 Cb -0.13 -1.72 0.06 0.00 -1.09 0.00 0.00 33.01 30.14 3jty s GLN 229 CO 0.01 -0.28 1.25 -1.17 -1.32 0.00 0.00 175.29 173.78 3jty s LEU 230 N 1.67 3.88 0.05 2.60 2.96 0.41 -0.98 118.68 129.26 3jty s LEU 230 Ca 0.04 -1.20 -0.36 0.00 -0.22 0.00 0.00 54.13 52.39 3jty s LEU 230 Cb -0.13 -2.50 -0.15 0.00 0.50 0.00 0.00 46.19 43.91 3jty s LEU 230 CO -0.09 -1.50 1.56 1.17 -1.32 0.00 0.00 176.35 176.18 3jty n LYS 231 N 8.34 1.70 -1.52 1.98 4.81 0.01 0.10 118.16 133.58 3jty n LYS 231 Ca 0.16 0.62 -0.12 0.00 -0.87 0.00 0.00 58.31 58.10 3jty n LYS 231 Cb 0.49 -2.35 -0.04 0.00 0.02 0.00 0.00 35.03 33.15 3jty n LYS 231 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3jty n ASP 232 N 3.83 -4.35 0.11 3.14 8.00 -1.24 -4.74 116.55 121.30 3jty n ASP 232 Ca 0.19 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3jty n ASP 232 Cb 0.24 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 3jty n ASP 232 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3jty n ILE 233 N -2.90 0.53 -3.58 0.53 5.41 0.11 -2.88 119.36 116.59 3jty n ILE 233 Ca -0.13 0.18 -0.16 0.00 1.00 0.00 0.00 62.75 63.64 3jty n ILE 233 Cb 0.44 -0.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.34 3jty n ILE 233 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3jty s TYR 234 N -1.99 -0.52 0.04 1.39 -0.85 -0.84 -2.57 117.35 112.00 3jty s TYR 234 Ca 0.00 0.85 0.09 0.00 -0.52 0.00 0.00 57.07 57.49 3jty s TYR 234 Cb 0.00 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 3jty s TYR 234 CO 0.00 -0.57 -0.25 0.45 -1.52 0.00 0.00 175.55 173.66 3jty s SER 235 N -1.33 3.23 -0.09 -0.18 0.15 0.35 -0.44 113.70 115.38 3jty s SER 235 Ca -0.11 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 55.92 3jty s SER 235 Cb -0.01 -0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.00 3jty s SER 235 CO 0.07 0.27 0.23 -1.58 1.20 0.00 0.00 173.24 173.42 3jty s GLN 236 N -1.19 0.23 -0.10 5.44 0.74 0.22 -1.42 119.66 123.58 3jty s GLN 236 Ca 0.12 0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.97 3jty s GLN 236 Cb -0.10 0.00 -0.00 0.00 1.10 0.00 0.00 33.01 34.01 3jty s GLN 236 CO 0.02 -0.10 -0.24 -0.65 -0.55 0.00 0.00 175.29 173.78 3jty s GLN 237 N 0.67 2.99 -0.13 1.67 1.11 0.10 0.93 119.66 127.00 3jty s GLN 237 Ca -0.05 -0.87 -0.01 0.00 0.01 0.00 0.00 55.36 54.45 3jty s GLN 237 Cb -0.06 -2.27 0.03 0.00 -1.01 0.00 0.00 33.01 29.70 3jty s GLN 237 CO -0.04 0.18 -0.07 0.12 0.01 0.00 0.00 175.29 175.50 3jty s PHE 238 N 0.33 1.53 -0.17 0.91 5.36 -0.39 0.12 117.98 125.68 3jty s PHE 238 Ca -0.18 -0.84 -0.06 0.00 -0.96 0.00 0.00 56.93 54.89 3jty s PHE 238 Cb -0.18 -1.25 -0.04 0.00 -0.34 0.00 0.00 43.02 41.22 3jty s PHE 238 CO 0.09 -0.55 0.02 0.42 -1.46 0.00 0.00 175.22 173.74 3jty s ILE 239 N 1.69 4.41 -0.02 3.12 1.01 -0.05 -0.68 121.20 130.69 3jty s ILE 239 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3jty s ILE 239 Cb -0.13 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.38 3jty s ILE 239 CO -0.08 0.48 -0.05 0.21 0.00 0.00 0.00 174.94 175.50 3jty s ASN 240 N 0.31 0.75 -0.13 3.58 2.47 -0.52 -0.65 114.94 120.76 3jty s ASN 240 Ca 0.00 -0.11 -0.02 0.00 0.42 0.00 0.00 52.86 53.16 3jty s ASN 240 Cb -0.13 -0.22 0.04 0.00 -1.45 0.00 0.00 41.25 39.49 3jty s ASN 240 CO 0.01 0.01 0.01 -0.22 -3.72 0.00 0.00 177.10 173.20 3jty s LEU 241 N 0.33 0.90 -0.17 3.21 2.96 -0.61 -0.59 118.68 124.71 3jty s LEU 241 Ca -0.04 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3jty s LEU 241 Cb -0.08 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 3jty s LEU 241 CO -0.00 -0.24 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.07 3jty s ILE 242 N 1.90 3.21 -0.01 6.68 1.01 -0.39 -0.47 121.20 133.14 3jty s ILE 242 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3jty s ILE 242 Cb -0.14 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3jty s ILE 242 CO -0.07 0.49 -0.06 -2.28 0.00 0.00 0.00 174.94 173.02 3jty s HIS 243 N 0.79 0.60 -0.11 3.97 2.46 -0.32 -1.24 115.29 121.44 3jty s HIS 243 Ca -0.04 -0.12 0.02 0.00 0.47 0.00 0.00 55.06 55.40 3jty s HIS 243 Cb -0.15 -0.41 0.01 0.00 -0.13 0.00 0.00 32.58 31.91 3jty s HIS 243 CO 0.01 -0.03 -0.17 0.45 -2.47 0.00 0.00 174.74 172.54 3jty s SER 244 N -0.05 2.51 -0.15 9.88 0.15 0.65 -1.68 113.70 125.02 3jty s SER 244 Ca 0.01 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.17 3jty s SER 244 Cb -0.04 -1.13 0.06 0.00 -1.71 0.00 0.00 66.02 63.20 3jty s SER 244 CO -0.00 0.04 0.11 -1.58 1.20 0.00 0.00 173.24 173.01 3jty s GLN 245 N 0.87 0.06 0.07 5.44 2.00 0.37 -4.82 119.66 123.65 3jty s GLN 245 Ca -0.09 0.08 -0.31 0.00 -2.00 0.00 0.00 55.36 53.05 3jty s GLN 245 Cb -0.15 -1.43 -0.08 0.00 0.80 0.00 0.00 33.01 32.15 3jty s GLN 245 CO -0.00 -0.59 1.60 -2.14 -0.50 0.00 0.00 175.29 173.66 3jty s PRO 246 N 2.19 4.22 -0.36 1.67 0.02 -1.26 0.64 135.00 142.11 3jty s PRO 246 Ca 0.03 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.36 3jty s PRO 246 Cb -0.15 -3.53 0.11 0.00 0.02 0.00 0.00 34.50 30.94 3jty s PRO 246 CO -0.08 -0.69 0.10 -0.51 -0.33 0.00 0.00 177.00 175.48 3jty s LEU 247 N 2.39 3.94 0.00 -5.54 1.43 -0.85 -4.94 118.68 115.11 3jty s LEU 247 Ca 0.72 -2.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 3jty s LEU 247 Cb -0.39 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3jty s LEU 247 CO 0.31 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3jty n GLY 248 N 4.23 0.84 1.24 -3.19 0.00 -1.26 -1.83 105.19 105.21 3jty n GLY 248 Ca 0.03 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.54 3jty n GLY 248 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jty n ASP 249 N 7.18 3.59 -4.90 1.61 8.00 -1.26 -4.93 116.55 125.83 3jty n ASP 249 Ca 0.00 -2.02 -0.28 0.00 0.71 0.00 0.00 54.79 53.20 3jty n ASP 249 Cb 0.00 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 3jty n ASP 249 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3jty s TRP 250 N -1.15 3.54 -0.13 1.24 0.52 -0.76 -4.63 118.94 117.55 3jty s TRP 250 Ca 0.44 0.80 -0.02 0.00 0.02 0.00 0.00 56.10 57.35 3jty s TRP 250 Cb 0.23 -2.27 0.04 0.00 -1.15 0.00 0.00 33.47 30.32 3jty s TRP 250 CO 0.30 -0.18 0.00 0.99 0.02 0.00 0.00 176.95 178.08 3jty s THR 251 N -2.59 0.57 -0.22 2.01 2.01 -0.99 -2.00 115.64 114.42 3jty s THR 251 Ca 0.47 -0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 3jty s THR 251 Cb -0.10 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3jty s THR 251 CO 0.41 0.09 0.14 -0.76 -0.69 0.00 0.00 174.62 173.81 3jty s LEU 252 N 1.87 4.15 0.30 4.42 1.43 0.21 -0.75 118.68 130.29 3jty s LEU 252 Ca 0.02 0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.39 3jty s LEU 252 Cb -0.14 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 3jty s LEU 252 CO -0.07 0.12 -0.06 -0.83 0.23 0.00 0.00 176.35 175.75 3jty s GLY 253 N 0.71 1.86 -0.24 -3.19 0.00 0.02 -0.48 107.32 106.00 3jty s GLY 253 Ca 0.08 -1.83 -0.14 0.00 0.00 0.00 0.00 44.72 42.83 3jty s GLY 253 CO 0.01 -1.86 0.59 0.00 0.00 0.00 0.00 173.10 171.85 3jty s ALA 254 N -2.45 -1.58 -0.36 3.20 0.00 -0.68 -2.16 121.76 117.74 3jty s ALA 254 Ca 0.32 2.07 0.02 0.00 0.00 0.00 0.00 51.96 54.37 3jty s ALA 254 Cb -0.04 -1.23 0.10 0.00 0.00 0.00 0.00 23.12 21.96 3jty s ALA 254 CO 0.18 -0.33 0.10 1.21 0.00 0.00 0.00 175.76 176.92 3jty s ASN 255 N 1.42 4.93 -0.32 0.00 3.84 -0.12 -1.17 114.94 123.52 3jty s ASN 255 Ca -0.09 -2.09 -0.16 0.00 0.21 0.00 0.00 52.86 50.73 3jty s ASN 255 Cb -0.06 -1.70 -0.02 0.00 -0.55 0.00 0.00 41.25 38.92 3jty s ASN 255 CO -0.15 -0.43 0.43 -0.76 -2.79 0.00 0.00 177.10 173.40 3jty s LEU 256 N 0.99 4.26 -0.02 3.21 1.02 0.38 -1.53 118.68 126.99 3jty s LEU 256 Ca 0.09 0.06 0.08 0.00 0.02 0.00 0.00 54.13 54.38 3jty s LEU 256 Cb -0.20 -2.48 -0.02 0.00 0.02 0.00 0.00 46.19 43.50 3jty s LEU 256 CO -0.07 -0.34 -0.26 -0.83 0.02 0.00 0.00 176.35 174.87 3jty s GLY 257 N 1.70 1.27 -0.06 -3.19 0.00 0.24 -1.57 107.32 105.70 3jty s GLY 257 Ca 0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3jty s GLY 257 CO 0.12 -0.91 0.00 -0.12 0.00 0.00 0.00 173.10 172.19 3jty s PHE 258 N -0.58 0.61 0.03 1.90 5.36 0.18 -1.38 117.98 124.10 3jty s PHE 258 Ca 0.09 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.96 3jty s PHE 258 Cb -0.10 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 3jty s PHE 258 CO -0.01 -0.30 -0.00 -0.06 -1.46 0.00 0.00 175.22 173.39 3jty s PHE 259 N 1.84 3.04 -0.05 10.12 0.08 -0.31 -0.87 117.98 131.83 3jty s PHE 259 Ca 0.03 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.12 3jty s PHE 259 Cb -0.12 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3jty s PHE 259 CO -0.04 0.46 -0.04 -0.47 -0.10 0.00 0.00 175.22 175.03 3jty s TYR 260 N -1.15 0.74 0.01 0.36 5.04 0.12 -1.91 117.35 120.56 3jty s TYR 260 Ca 0.21 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 3jty s TYR 260 Cb -0.12 -0.69 -0.01 0.00 0.35 0.00 0.00 41.96 41.50 3jty s TYR 260 CO 0.12 -0.21 -0.02 0.20 -1.34 0.00 0.00 175.55 174.30 3jty s GLY 261 N 1.07 0.13 0.16 8.97 0.00 -0.57 0.03 107.32 117.10 3jty s GLY 261 Ca -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3jty s GLY 261 CO -0.01 -0.23 0.11 -1.59 0.00 0.00 0.00 173.10 171.39 3jty s LYS 262 N -0.43 1.05 0.69 2.90 -2.85 -0.51 -1.02 119.74 119.58 3jty s LYS 262 Ca -0.04 -1.47 -0.16 0.00 -1.00 0.00 0.00 55.97 53.30 3jty s LYS 262 Cb -0.03 0.27 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 3jty s LYS 262 CO -0.00 -0.32 1.26 -1.83 0.10 0.00 0.00 175.35 174.55 3jty s GLU 263 N -4.08 2.29 0.03 1.78 1.03 -1.16 -0.49 118.70 118.10 3jty s GLU 263 Ca 0.28 1.94 0.03 0.00 0.03 0.00 0.00 54.97 57.25 3jty s GLU 263 Cb 0.07 -1.83 -0.02 0.00 -0.80 0.00 0.00 34.13 31.55 3jty s GLU 263 CO 0.05 -1.76 -0.09 0.34 -1.33 0.00 0.00 175.26 172.46 3jty s ASP 264 N -1.67 1.06 1.65 0.83 2.15 -1.06 -4.59 116.67 115.04 3jty s ASP 264 Ca 0.79 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.39 3jty s ASP 264 Cb -0.34 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.24 3jty s ASP 264 CO 0.43 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 3jty n GLY 265 N 2.06 2.81 0.00 2.66 0.00 -1.26 -2.47 105.19 108.99 3jty n GLY 265 Ca -0.18 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.75 3jty n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jty n SER 266 N 6.65 0.00 -2.26 1.61 3.41 -1.26 -4.93 113.62 116.84 3jty n SER 266 Ca 0.00 -0.62 -0.16 0.00 -0.26 0.00 0.00 58.87 57.84 3jty n SER 266 Cb 0.00 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3jty n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jty n ALA 267 N -1.12 -0.72 -0.35 7.33 0.00 -1.03 -4.90 120.51 119.72 3jty n ALA 267 Ca 0.19 0.22 0.24 0.00 0.00 0.00 0.00 53.44 54.09 3jty n ALA 267 Cb 0.16 -3.12 0.49 0.00 0.00 0.00 0.00 19.45 16.98 3jty n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jty h ARG 268 N -1.19 0.35 -0.66 0.00 3.08 -1.79 0.25 114.38 114.42 3jty h ARG 268 Ca -0.37 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3jty h ARG 268 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3jty h ARG 268 CO 0.39 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 3jty n ALA 269 N -2.38 2.63 0.00 0.04 0.00 -1.26 -4.95 120.51 114.59 3jty n ALA 269 Ca 0.30 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3jty n ALA 269 Cb 0.97 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3jty n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jty n GLY 270 N 1.39 -0.19 3.77 0.00 0.00 0.88 -4.91 105.19 106.13 3jty n GLY 270 Ca 0.23 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3jty n GLY 270 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jty s ASP 271 N -2.26 6.67 0.05 1.61 1.01 -1.26 -4.71 116.67 117.77 3jty s ASP 271 Ca 0.00 2.78 -0.08 0.00 0.71 0.00 0.00 52.55 55.95 3jty s ASP 271 Cb 0.00 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 3jty s ASP 271 CO 0.00 -0.62 0.17 -0.04 0.21 0.00 0.00 175.17 174.89 3jty s MET 272 N -1.85 0.69 -0.23 8.23 -1.94 -1.26 -4.94 119.30 118.00 3jty s MET 272 Ca 0.50 -0.70 -0.09 0.00 -1.71 0.00 0.00 55.69 53.69 3jty s MET 272 Cb -0.41 0.28 0.09 0.00 2.01 0.00 0.00 34.83 36.80 3jty s MET 272 CO 0.55 -0.20 0.50 -2.00 -0.01 0.00 0.00 175.02 173.87 3jty s GLU 273 N -2.76 0.44 -0.01 2.03 2.12 -1.26 -2.96 118.70 116.30 3jty s GLU 273 Ca -0.04 1.12 0.02 0.00 0.36 0.00 0.00 54.97 56.44 3jty s GLU 273 Cb -0.00 0.39 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 3jty s GLU 273 CO -0.05 -0.21 -0.08 1.21 -0.54 0.00 0.00 175.26 175.59 3jty s ASN 274 N 2.37 0.92 -0.03 -1.70 3.84 -0.19 -1.14 114.94 119.01 3jty s ASN 274 Ca -0.05 -0.14 0.06 0.00 0.21 0.00 0.00 52.86 52.94 3jty s ASN 274 Cb -0.11 -0.14 -0.01 0.00 -0.55 0.00 0.00 41.25 40.44 3jty s ASN 274 CO -0.15 0.08 -0.22 -0.13 -2.79 0.00 0.00 177.10 173.89 3jty s ARG 275 N -0.08 2.01 -0.07 0.43 0.52 -0.10 -1.52 118.95 120.13 3jty s ARG 275 Ca 0.02 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3jty s ARG 275 Cb -0.04 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.62 3jty s ARG 275 CO -0.00 0.41 -0.10 0.99 0.02 0.00 0.00 175.30 176.62 3jty s THR 276 N -0.32 0.99 -0.09 0.02 2.01 -0.80 0.06 115.64 117.50 3jty s THR 276 Ca 0.03 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.67 3jty s THR 276 Cb -0.11 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 3jty s THR 276 CO 0.01 0.33 -0.07 0.26 -0.69 0.00 0.00 174.62 174.46 3jty s TRP 277 N 0.97 2.93 -0.10 4.92 0.52 0.19 -1.16 118.94 127.21 3jty s TRP 277 Ca -0.09 -0.13 -0.04 0.00 0.02 0.00 0.00 56.10 55.85 3jty s TRP 277 Cb -0.15 -1.78 0.05 0.00 -1.15 0.00 0.00 33.47 30.45 3jty s TRP 277 CO 0.00 0.18 0.22 0.45 0.02 0.00 0.00 176.95 177.82 3jty s SER 278 N -0.41 0.31 -0.06 2.95 0.15 -0.48 -1.29 113.70 114.86 3jty s SER 278 Ca 0.06 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.17 3jty s SER 278 Cb -0.12 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.68 3jty s SER 278 CO 0.02 -0.22 -0.01 -0.83 1.20 0.00 0.00 173.24 173.41 3jty s GLY 279 N 2.03 0.45 -0.26 9.45 0.00 -0.03 0.81 107.32 119.77 3jty s GLY 279 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.60 3jty s GLY 279 CO -0.07 0.96 -0.05 -2.27 0.00 0.00 0.00 173.10 171.66 3jty s LEU 280 N 1.69 3.40 -0.21 0.66 2.96 -0.58 -0.66 118.68 125.94 3jty s LEU 280 Ca 0.01 -1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 52.81 3jty s LEU 280 Cb -0.13 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3jty s LEU 280 CO -0.04 -0.17 0.04 -0.36 -1.32 0.00 0.00 176.35 174.50 3jty s PHE 281 N 1.28 3.10 0.18 5.38 0.08 -0.30 -0.95 117.98 126.75 3jty s PHE 281 Ca -0.02 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 56.81 3jty s PHE 281 Cb -0.18 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 3jty s PHE 281 CO -0.04 -0.17 -0.19 -1.54 -0.10 0.00 0.00 175.22 173.18 3jty s SER 282 N 1.01 2.86 -0.12 1.36 1.04 -0.92 -1.18 113.70 117.75 3jty s SER 282 Ca 0.03 -0.88 -0.03 0.00 0.48 0.00 0.00 55.95 55.55 3jty s SER 282 Cb -0.14 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.84 3jty s SER 282 CO 0.02 -0.01 0.06 0.00 0.98 0.00 0.00 173.24 174.29 3jty s ALA 283 N -2.05 0.51 0.12 5.32 0.00 0.10 -0.80 121.76 124.96 3jty s ALA 283 Ca 0.18 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 3jty s ALA 283 Cb -0.06 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 3jty s ALA 283 CO 0.08 -0.85 0.46 0.21 0.00 0.00 0.00 175.76 175.66 3jty s LYS 284 N 2.07 3.82 -0.30 0.00 2.20 0.07 -2.04 119.74 125.56 3jty s LYS 284 Ca 0.03 0.26 -0.09 0.00 -0.36 0.00 0.00 55.97 55.81 3jty s LYS 284 Cb -0.14 -2.92 0.18 0.00 -1.51 0.00 0.00 37.83 33.44 3jty s LYS 284 CO -0.06 0.50 0.94 -0.47 -0.36 0.00 0.00 175.35 175.90 3jty s TYR 285 N -1.49 -0.79 0.00 4.03 5.04 -0.97 -2.36 117.35 120.81 3jty s TYR 285 Ca 0.37 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 3jty s TYR 285 Cb -0.14 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.37 3jty s TYR 285 CO 0.19 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.36 3jty n GLY 286 N 5.31 2.54 0.09 8.97 0.00 -1.26 -2.32 105.19 118.52 3jty n GLY 286 Ca 0.02 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3jty n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 287 N 0.00 -0.80 3.85 -0.02 0.00 -1.26 -4.89 105.19 102.07 3jty n GLY 287 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3jty n GLY 287 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jty s ASN 288 N -1.74 6.77 -0.12 1.61 0.01 -0.98 0.19 114.94 120.68 3jty s ASN 288 Ca 0.35 1.04 -0.04 0.00 -0.71 0.00 0.00 52.86 53.50 3jty s ASN 288 Cb 0.17 -2.27 0.06 0.00 0.41 0.00 0.00 41.25 39.61 3jty s ASN 288 CO 0.28 0.05 0.21 -0.89 -1.51 0.00 0.00 177.10 175.24 3jty s THR 289 N -1.58 -0.34 -0.13 1.60 2.01 -0.40 -2.30 115.64 114.51 3jty s THR 289 Ca 0.41 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.64 3jty s THR 289 Cb -0.14 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 3jty s THR 289 CO 0.20 0.10 0.06 -0.36 -0.69 0.00 0.00 174.62 173.93 3jty s PHE 290 N 2.36 3.31 -0.02 4.92 0.08 -0.86 0.33 117.98 128.09 3jty s PHE 290 Ca 0.03 0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.35 3jty s PHE 290 Cb -0.12 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3jty s PHE 290 CO -0.08 0.45 -0.11 0.71 -0.10 0.00 0.00 175.22 176.09 3jty s TYR 291 N -0.53 1.09 -0.17 0.36 2.02 0.30 -0.72 117.35 119.69 3jty s TYR 291 Ca 0.10 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 3jty s TYR 291 Cb -0.12 -0.75 -0.00 0.00 -0.40 0.00 0.00 41.96 40.69 3jty s TYR 291 CO 0.02 -0.08 -0.11 0.08 -1.57 0.00 0.00 175.55 173.89 3jty s VAL 292 N 0.02 2.94 -0.10 0.71 1.01 -0.32 -2.16 120.40 122.50 3jty s VAL 292 Ca -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3jty s VAL 292 Cb -0.08 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3jty s VAL 292 CO 0.00 0.49 0.03 -0.83 0.00 0.00 0.00 175.10 174.79 3jty s GLY 293 N 0.97 1.90 -0.02 4.51 0.00 -0.65 -1.15 107.32 112.88 3jty s GLY 293 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.97 3jty s GLY 293 CO -0.01 -0.46 -0.12 1.08 0.00 0.00 0.00 173.10 173.58 3jty s LEU 294 N -0.75 1.93 -0.13 0.66 1.43 0.17 -0.95 118.68 121.05 3jty s LEU 294 Ca 0.12 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 3jty s LEU 294 Cb -0.12 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.46 3jty s LEU 294 CO 0.02 0.13 0.38 -1.58 0.23 0.00 0.00 176.35 175.54 3jty s GLN 295 N -0.09 0.49 -0.27 1.70 0.74 -0.56 -0.85 119.66 120.82 3jty s GLN 295 Ca 0.01 0.44 -0.11 0.00 0.05 0.00 0.00 55.36 55.75 3jty s GLN 295 Cb -0.07 0.24 0.11 0.00 1.10 0.00 0.00 33.01 34.38 3jty s GLN 295 CO 0.00 -0.08 0.61 0.21 -0.55 0.00 0.00 175.29 175.48 3jty s LYS 296 N -0.02 0.55 -0.04 1.67 2.20 -0.41 -1.26 119.74 122.43 3jty s LYS 296 Ca -0.02 1.31 -0.02 0.00 -0.36 0.00 0.00 55.97 56.88 3jty s LYS 296 Cb -0.03 0.60 -0.04 0.00 -1.51 0.00 0.00 37.83 36.85 3jty s LYS 296 CO 0.01 -0.20 0.09 -0.51 -0.36 0.00 0.00 175.35 174.39 3jty s LEU 297 N 2.53 3.99 0.19 5.43 1.02 -0.62 -0.64 118.68 130.58 3jty s LEU 297 Ca -0.06 0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.34 3jty s LEU 297 Cb -0.10 -2.19 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 3jty s LEU 297 CO -0.18 0.32 0.01 0.42 0.02 0.00 0.00 176.35 176.94 3jty s THR 298 N -1.12 0.69 0.00 5.49 -4.23 0.11 -4.05 115.64 112.53 3jty s THR 298 Ca 0.20 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3jty s THR 298 Cb -0.12 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3jty s THR 298 CO 0.10 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 3jty n GLY 299 N -0.28 -1.80 0.01 3.99 0.00 -1.26 -0.92 105.19 104.92 3jty n GLY 299 Ca -0.05 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.20 3jty n GLY 299 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jty n ASP 300 N 0.24 0.64 -4.79 1.61 5.68 -0.29 -4.39 116.55 115.24 3jty n ASP 300 Ca 0.00 -0.26 -0.24 0.00 -0.50 0.00 0.00 54.79 53.79 3jty n ASP 300 Cb 0.00 1.65 -0.05 0.00 -1.14 0.00 0.00 41.12 41.57 3jty n ASP 300 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3jty s SER 301 N -3.84 5.40 1.00 -1.12 0.01 -0.79 -4.83 113.70 109.52 3jty s SER 301 Ca -0.03 -0.24 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 3jty s SER 301 Cb 0.13 -1.35 0.19 0.00 0.21 0.00 0.00 66.02 65.20 3jty s SER 301 CO 0.80 0.02 1.08 0.00 0.41 0.00 0.00 173.24 175.55 3jty s ALA 302 N -1.97 0.84 0.27 1.44 0.00 -1.26 -4.40 121.76 116.69 3jty s ALA 302 Ca 0.32 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3jty s ALA 302 Cb -0.09 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 3jty s ALA 302 CO 0.23 -2.91 1.37 -0.46 0.00 0.00 0.00 175.76 174.00 3jty s TRP 303 N -2.85 3.06 0.05 0.00 -0.00 -1.15 -4.79 118.94 113.26 3jty s TRP 303 Ca 0.65 1.20 -0.19 0.00 -0.00 0.00 0.00 56.10 57.77 3jty s TRP 303 Cb -0.20 -3.74 -0.06 0.00 -0.00 0.00 0.00 33.47 29.47 3jty s TRP 303 CO 0.59 -2.25 0.56 -1.64 -0.00 0.00 0.00 176.95 174.20 3jty s MET 304 N -0.89 4.20 0.14 5.86 -1.94 -1.26 -4.98 119.30 120.43 3jty s MET 304 Ca 0.55 0.71 -0.24 0.00 -1.71 0.00 0.00 55.69 55.00 3jty s MET 304 Cb -0.40 -3.26 0.07 0.00 2.01 0.00 0.00 34.83 33.25 3jty s MET 304 CO 0.46 0.58 0.67 -0.98 -0.01 0.00 0.00 175.02 175.75 3jty s ARG 305 N -0.89 1.24 0.47 2.03 1.70 -1.26 -5.05 118.95 117.18 3jty s ARG 305 Ca 0.29 -0.49 -0.21 0.00 -0.47 0.00 0.00 55.73 54.85 3jty s ARG 305 Cb -0.19 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 3jty s ARG 305 CO 0.18 -0.55 1.02 0.08 -1.08 0.00 0.00 175.30 174.96 3jty s VAL 306 N -3.64 3.89 0.26 4.99 1.01 -1.26 0.15 120.40 125.80 3jty s VAL 306 Ca 0.03 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 3jty s VAL 306 Cb -0.01 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.75 3jty s VAL 306 CO -0.10 -0.24 1.50 -0.46 0.00 0.00 0.00 175.10 175.80 3jty n ASN 307 N -0.85 3.26 0.00 3.32 6.94 0.15 -2.32 115.26 125.76 3jty n ASN 307 Ca 0.09 1.14 0.00 0.00 -0.02 0.00 0.00 54.58 55.79 3jty n ASN 307 Cb 0.53 -1.50 0.00 0.00 -2.36 0.00 0.00 39.78 36.45 3jty n ASN 307 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3jty n GLY 308 N 2.26 1.94 3.85 4.83 0.00 -1.26 -4.88 105.19 111.93 3jty n GLY 308 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3jty n GLY 308 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jty s THR 309 N -3.06 4.61 0.56 2.61 -4.23 -0.98 -4.18 115.64 110.96 3jty s THR 309 Ca 0.00 1.05 -0.17 0.00 -1.18 0.00 0.00 61.69 61.39 3jty s THR 309 Cb 0.00 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 3jty s THR 309 CO 0.00 -0.70 1.06 -0.55 -0.54 0.00 0.00 174.62 173.89 3jty s SER 310 N -3.21 5.90 -0.03 3.99 0.15 0.08 -4.87 113.70 115.71 3jty s SER 310 Ca 0.57 1.89 0.10 0.00 0.70 0.00 0.00 55.95 59.20 3jty s SER 310 Cb -0.10 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 62.00 3jty s SER 310 CO 0.34 -1.09 1.22 0.61 1.20 0.00 0.00 173.24 175.52 3jty n GLY 311 N -0.66 1.05 0.23 9.45 0.00 -1.26 -4.68 105.19 109.32 3jty n GLY 311 Ca 0.09 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3jty n GLY 311 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jty h GLY 312 N 5.05 0.00 2.00 -0.02 0.00 -1.93 -0.40 103.07 107.77 3jty h GLY 312 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3jty h GLY 312 CO 0.06 0.00 -0.07 -0.84 0.00 0.00 0.00 176.54 175.69 3jty h THR 313 N 0.00 0.17 -3.42 4.70 2.02 -1.86 -3.45 112.91 111.06 3jty h THR 313 Ca 0.00 -0.79 -0.54 0.00 0.77 0.00 0.00 66.41 65.85 3jty h THR 313 Cb 0.68 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3jty h THR 313 CO 0.00 0.07 0.11 -0.76 0.37 0.00 0.00 175.52 175.31 3jty s LEU 314 N -6.36 4.54 0.25 2.58 1.43 -0.16 -4.98 118.68 115.99 3jty s LEU 314 Ca 0.02 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 3jty s LEU 314 Cb 0.09 -3.16 0.35 0.00 0.03 0.00 0.00 46.19 43.49 3jty s LEU 314 CO 0.59 0.19 1.86 0.00 0.23 0.00 0.00 176.35 179.22 3jty h ALA 315 N 4.69 1.24 -0.70 4.21 0.00 -1.87 -2.32 119.26 124.50 3jty h ALA 315 Ca -0.47 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 3jty h ALA 315 Cb 1.21 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3jty h ALA 315 CO 0.66 0.35 0.27 0.09 0.00 0.00 0.00 179.25 180.62 3jty n ASN 316 N -4.57 4.43 -4.76 0.00 3.02 -1.26 -4.92 115.26 107.20 3jty n ASN 316 Ca 0.13 -3.31 -0.40 0.00 -0.03 0.00 0.00 54.58 50.97 3jty n ASN 316 Cb 0.17 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 3jty n ASN 316 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jty s ASP 317 N -1.28 7.05 0.19 6.41 2.15 -0.88 -4.58 116.67 125.75 3jty s ASP 317 Ca 0.54 2.45 0.04 0.00 0.43 0.00 0.00 52.55 56.01 3jty s ASP 317 Cb 0.44 -2.64 -0.02 0.00 -0.30 0.00 0.00 42.92 40.40 3jty s ASP 317 CO 0.12 -0.31 0.16 -1.54 -0.17 0.00 0.00 175.17 173.42 3jty n SER 318 N 1.07 -0.37 0.20 -0.34 3.41 -0.48 -5.02 113.62 112.09 3jty n SER 318 Ca -0.00 -2.26 0.06 0.00 -0.26 0.00 0.00 58.87 56.40 3jty n SER 318 Cb 0.43 0.96 0.39 0.00 -0.26 0.00 0.00 64.21 65.73 3jty n SER 318 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3jty h TYR 319 N 1.61 0.00 0.00 7.33 0.05 -2.01 -3.34 116.97 120.61 3jty h TYR 319 Ca -0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3jty h TYR 319 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 3jty h TYR 319 CO 0.00 0.35 0.00 0.09 -1.05 0.00 0.00 178.16 177.55 3jty n ASN 320 N -3.69 0.33 -3.50 3.88 3.02 -1.26 -5.08 115.26 108.96 3jty n ASN 320 Ca -0.01 -0.66 -0.14 0.00 -0.03 0.00 0.00 54.58 53.74 3jty n ASN 320 Cb 0.45 0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 40.24 3jty n ASN 320 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jty s ALA 321 N -0.66 -1.76 -0.67 5.41 0.00 -1.25 -5.04 121.76 117.78 3jty s ALA 321 Ca 0.00 1.11 0.14 0.00 0.00 0.00 0.00 51.96 53.22 3jty s ALA 321 Cb 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 3jty s ALA 321 CO 0.00 -0.50 0.61 0.43 0.00 0.00 0.00 175.76 176.30 3jty n SER 322 N 0.40 0.71 -3.68 0.00 7.64 -1.26 -1.38 113.62 116.04 3jty n SER 322 Ca -0.16 -0.82 -0.23 0.00 1.01 0.00 0.00 58.87 58.67 3jty n SER 322 Cb 0.60 1.02 0.05 0.00 -1.01 0.00 0.00 64.21 64.87 3jty n SER 322 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3jty n TYR 323 N -1.36 -2.31 -1.54 1.43 4.01 -1.26 -4.46 117.16 111.66 3jty n TYR 323 Ca 0.03 0.92 0.06 0.00 -0.16 0.00 0.00 57.90 58.75 3jty n TYR 323 Cb 0.23 -4.59 0.20 0.00 -0.31 0.00 0.00 39.34 34.88 3jty n TYR 323 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3jty n ASP 324 N -3.00 1.79 -4.82 7.72 5.75 -1.26 -4.86 116.55 117.87 3jty n ASP 324 Ca -0.13 -3.82 -0.33 0.00 -0.01 0.00 0.00 54.79 50.50 3jty n ASP 324 Cb 0.61 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 3jty n ASP 324 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3jty s ASN 325 N -3.19 6.66 0.03 -1.12 0.01 -1.26 -2.93 114.94 113.13 3jty s ASN 325 Ca 0.37 1.73 -0.31 0.00 -0.71 0.00 0.00 52.86 53.95 3jty s ASN 325 Cb 0.36 -2.54 -0.16 0.00 0.41 0.00 0.00 41.25 39.33 3jty s ASN 325 CO -0.06 -0.56 0.78 0.00 -1.51 0.00 0.00 177.10 175.76 3jty n ALA 326 N -0.99 -2.95 -0.62 0.60 0.00 -1.22 -1.92 120.51 113.42 3jty n ALA 326 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3jty n ALA 326 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3jty n ALA 326 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3jty n LYS 327 N 1.14 -0.35 -1.98 0.00 5.02 -1.26 -1.48 118.16 119.25 3jty n LYS 327 Ca 0.16 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 3jty n LYS 327 Cb 0.09 -4.46 -0.03 0.00 -0.02 0.00 0.00 35.03 30.61 3jty n LYS 327 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3jty s GLU 328 N -1.11 4.24 0.09 1.97 2.12 -0.81 -4.58 118.70 120.63 3jty s GLU 328 Ca 0.00 2.32 0.02 0.00 0.36 0.00 0.00 54.97 57.66 3jty s GLU 328 Cb 0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 3jty s GLU 328 CO 0.00 -0.55 0.20 0.15 -0.54 0.00 0.00 175.26 174.52 3jty s LYS 329 N 0.80 3.29 0.03 4.30 1.02 -0.89 -1.60 119.74 126.68 3jty s LYS 329 Ca 0.67 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.83 3jty s LYS 329 Cb -0.43 -2.93 0.08 0.00 -0.52 0.00 0.00 37.83 34.04 3jty s LYS 329 CO 0.34 0.57 0.73 -1.54 -0.92 0.00 0.00 175.35 174.53 3jty s SER 330 N -2.71 -0.53 0.06 2.83 1.04 -0.39 -1.21 113.70 112.80 3jty s SER 330 Ca 0.33 0.26 0.02 0.00 0.48 0.00 0.00 55.95 57.05 3jty s SER 330 Cb -0.12 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3jty s SER 330 CO 0.27 -0.72 -0.07 -1.66 0.98 0.00 0.00 173.24 172.04 3jty s TRP 331 N -2.54 0.72 0.01 5.02 1.48 -0.98 -1.50 118.94 121.16 3jty s TRP 331 Ca -0.02 -0.67 0.02 0.00 -1.06 0.00 0.00 56.10 54.37 3jty s TRP 331 Cb -0.01 -0.43 -0.01 0.00 -1.16 0.00 0.00 33.47 31.86 3jty s TRP 331 CO -0.04 -0.12 -0.07 -1.14 -4.06 0.00 0.00 176.95 171.52 3jty s GLN 332 N -2.44 0.55 -0.04 3.25 0.74 -0.12 -2.30 119.66 119.29 3jty s GLN 332 Ca -0.02 -0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.04 3jty s GLN 332 Cb -0.04 -0.47 -0.01 0.00 1.10 0.00 0.00 33.01 33.58 3jty s GLN 332 CO -0.02 0.12 -0.23 0.14 -0.55 0.00 0.00 175.29 174.75 3jty s VAL 333 N -0.54 1.84 -0.07 1.34 -7.23 -0.63 -1.64 120.40 113.47 3jty s VAL 333 Ca -0.01 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 3jty s VAL 333 Cb -0.05 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.37 3jty s VAL 333 CO 0.00 0.52 0.21 -0.60 -0.31 0.00 0.00 175.10 174.92 3jty s ARG 334 N -0.30 0.26 -0.07 4.82 3.52 -0.92 -0.27 118.95 125.99 3jty s ARG 334 Ca 0.02 0.25 0.03 0.00 -0.13 0.00 0.00 55.73 55.91 3jty s ARG 334 Cb -0.11 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 3jty s ARG 334 CO 0.01 -0.03 -0.17 -1.58 -0.81 0.00 0.00 175.30 172.72 3jty s HIS 335 N 0.03 1.84 0.01 5.12 5.65 -0.41 -0.54 115.29 126.99 3jty s HIS 335 Ca -0.01 -0.67 0.04 0.00 0.25 0.00 0.00 55.06 54.67 3jty s HIS 335 Cb -0.02 -1.28 -0.03 0.00 -1.18 0.00 0.00 32.58 30.07 3jty s HIS 335 CO 0.00 -0.29 -0.10 -0.51 -0.65 0.00 0.00 174.74 173.19 3jty s ASP 336 N 0.42 4.38 -0.07 9.88 1.11 0.15 -2.10 116.67 130.45 3jty s ASP 336 Ca -0.13 -0.22 0.01 0.00 0.18 0.00 0.00 52.55 52.39 3jty s ASP 336 Cb -0.15 -0.95 0.02 0.00 1.07 0.00 0.00 42.92 42.91 3jty s ASP 336 CO 0.05 0.28 -0.08 -0.47 1.18 0.00 0.00 175.17 176.12 3jty s TYR 337 N -0.97 1.18 -0.47 4.23 5.04 -0.72 -1.27 117.35 124.36 3jty s TYR 337 Ca 0.16 -0.44 -0.13 0.00 -2.44 0.00 0.00 57.07 54.22 3jty s TYR 337 Cb -0.11 -0.94 0.09 0.00 0.35 0.00 0.00 41.96 41.35 3jty s TYR 337 CO 0.07 -0.29 0.37 1.21 -1.34 0.00 0.00 175.55 175.57 3jty s ASN 338 N 0.99 5.96 0.00 4.32 3.84 0.13 -1.30 114.94 128.87 3jty s ASN 338 Ca -0.09 -1.55 0.06 0.00 0.21 0.00 0.00 52.86 51.48 3jty s ASN 338 Cb -0.15 -2.11 0.34 0.00 -0.55 0.00 0.00 41.25 38.78 3jty s ASN 338 CO 0.00 -0.67 0.76 0.49 -2.79 0.00 0.00 177.10 174.89 3jty n PHE 339 N 5.09 0.00 0.31 0.43 3.72 -0.30 -2.98 117.46 123.73 3jty n PHE 339 Ca -0.11 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.49 3jty n PHE 339 Cb 0.42 0.00 0.98 0.00 -0.94 0.00 0.00 39.48 39.94 3jty n PHE 339 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jty h ALA 340 N 2.26 1.02 0.00 4.37 0.00 -1.71 -1.56 119.26 123.63 3jty h ALA 340 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3jty h ALA 340 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3jty h ALA 340 CO 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.14 3jty h ALA 341 N 1.99 1.05 -0.17 0.00 0.00 -1.87 -3.25 119.26 117.02 3jty h ALA 341 Ca -0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3jty h ALA 341 Cb 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3jty h ALA 341 CO 0.00 0.15 -0.22 1.28 0.00 0.00 0.00 179.25 180.46 3jty n LEU 342 N -3.31 3.36 0.00 0.00 4.77 -0.94 -5.00 117.00 115.87 3jty n LEU 342 Ca -0.00 -3.68 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 3jty n LEU 342 Cb 0.34 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3jty n LEU 342 CO 0.30 1.20 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 3jty n GLY 343 N -1.11 0.47 2.55 -0.72 0.00 -1.21 -5.01 105.19 100.16 3jty n GLY 343 Ca 0.25 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3jty n GLY 343 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3jty n VAL 344 N -2.96 1.56 -0.30 1.61 0.31 -0.63 -5.00 118.33 112.93 3jty n VAL 344 Ca 0.00 -4.86 0.00 0.00 -0.01 0.00 0.00 64.34 59.48 3jty n VAL 344 Cb 0.00 -2.08 0.07 0.00 -0.91 0.00 0.00 33.84 30.91 3jty n VAL 344 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3jty h PRO 345 N 4.65 -0.04 -0.47 5.55 0.11 -1.85 -2.80 132.00 137.16 3jty h PRO 345 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3jty h PRO 345 Cb 0.73 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3jty h PRO 345 CO 0.73 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 3jty n GLY 346 N -1.50 0.46 3.35 -0.55 0.00 -1.26 -4.27 105.19 101.42 3jty n GLY 346 Ca 0.10 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3jty n GLY 346 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jty s LEU 347 N -0.74 2.73 0.08 0.99 2.96 -1.07 -1.31 118.68 122.32 3jty s LEU 347 Ca 0.07 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3jty s LEU 347 Cb 0.05 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3jty s LEU 347 CO 0.04 0.13 -0.07 0.42 -1.32 0.00 0.00 176.35 175.54 3jty s THR 348 N 0.58 0.66 0.00 3.68 -4.23 -0.49 -1.15 115.64 114.69 3jty s THR 348 Ca -0.07 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 3jty s THR 348 Cb -0.15 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 3jty s THR 348 CO 0.03 -0.64 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.13 3jty s LEU 349 N -2.38 2.07 -0.02 4.79 2.96 -0.42 -1.74 118.68 123.94 3jty s LEU 349 Ca 0.02 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3jty s LEU 349 Cb -0.02 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3jty s LEU 349 CO -0.02 0.11 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.72 3jty s MET 350 N -0.54 0.85 -0.06 1.98 -2.45 0.75 -1.76 119.30 118.07 3jty s MET 350 Ca 0.04 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.18 3jty s MET 350 Cb -0.06 -0.81 0.04 0.00 1.25 0.00 0.00 34.83 35.25 3jty s MET 350 CO 0.00 0.10 0.08 -0.80 1.05 0.00 0.00 175.02 175.45 3jty s ASN 351 N 0.19 1.21 0.14 1.11 0.01 -0.89 -0.59 114.94 116.11 3jty s ASN 351 Ca -0.03 0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 3jty s ASN 351 Cb -0.08 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 3jty s ASN 351 CO 0.00 -0.26 -0.13 0.00 -1.51 0.00 0.00 177.10 175.20 3jty s ARG 352 N 2.18 1.09 -0.02 -0.60 1.70 0.22 -1.29 118.95 122.24 3jty s ARG 352 Ca 0.05 -1.35 0.01 0.00 -0.47 0.00 0.00 55.73 53.96 3jty s ARG 352 Cb -0.12 -0.90 0.02 0.00 -0.57 0.00 0.00 34.95 33.37 3jty s ARG 352 CO -0.04 0.16 -0.01 -0.47 -1.08 0.00 0.00 175.30 173.86 3jty s TYR 353 N -2.52 0.31 -0.02 5.89 5.04 0.63 -1.16 117.35 125.51 3jty s TYR 353 Ca 0.13 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3jty s TYR 353 Cb -0.03 -0.32 0.03 0.00 0.35 0.00 0.00 41.96 41.99 3jty s TYR 353 CO 0.03 -0.08 0.02 0.42 -1.34 0.00 0.00 175.55 174.60 3jty s ILE 354 N 0.59 0.04 -0.09 3.14 1.01 0.01 -1.60 121.20 124.30 3jty s ILE 354 Ca -0.06 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.79 3jty s ILE 354 Cb -0.09 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.22 3jty s ILE 354 CO -0.01 0.12 -0.20 -0.55 0.00 0.00 0.00 174.94 174.29 3jty s SER 355 N 1.08 2.68 0.13 3.58 0.15 -0.97 -0.87 113.70 119.48 3jty s SER 355 Ca -0.09 -0.48 0.11 0.00 0.70 0.00 0.00 55.95 56.19 3jty s SER 355 Cb -0.13 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.91 3jty s SER 355 CO -0.02 0.12 -0.25 -0.83 1.20 0.00 0.00 173.24 173.45 3jty s GLY 356 N 0.46 1.61 0.22 9.45 0.00 0.19 -2.32 107.32 116.93 3jty s GLY 356 Ca -0.17 -1.46 -0.05 0.00 0.00 0.00 0.00 44.72 43.04 3jty s GLY 356 CO 0.07 -1.44 0.26 -0.56 0.00 0.00 0.00 173.10 171.43 3jty s SER 357 N -2.11 0.11 -1.20 1.64 0.01 -0.35 -1.27 113.70 110.54 3jty s SER 357 Ca 0.15 -1.24 -0.04 0.00 1.31 0.00 0.00 55.95 56.13 3jty s SER 357 Cb -0.10 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.62 3jty s SER 357 CO 0.07 -0.96 0.27 -3.20 0.41 0.00 0.00 173.24 169.83 3jty n ASN 358 N -0.36 -4.05 -4.63 2.44 5.15 -1.06 -2.10 115.26 110.65 3jty n ASN 358 Ca 0.01 -0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.46 3jty n ASN 358 Cb 0.64 -3.38 -0.03 0.00 -0.53 0.00 0.00 39.78 36.48 3jty n ASN 358 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3jty s VAL 359 N -2.81 3.45 -0.13 3.44 1.01 -0.82 -3.34 120.40 121.20 3jty s VAL 359 Ca 0.20 0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 3jty s VAL 359 Cb -0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3jty s VAL 359 CO 0.25 -0.18 -0.01 -1.00 0.00 0.00 0.00 175.10 174.15 3jty s HIS 360 N 5.60 3.10 0.25 5.22 3.76 -0.55 -2.96 115.29 129.71 3jty s HIS 360 Ca 0.80 -0.05 -0.10 0.00 -0.15 0.00 0.00 55.06 55.56 3jty s HIS 360 Cb -0.30 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 3jty s HIS 360 CO 0.32 0.19 0.42 0.99 -0.85 0.00 0.00 174.74 175.82 3jty s THR 361 N -0.14 0.00 0.46 1.30 2.01 0.26 -3.40 115.64 116.13 3jty s THR 361 Ca 0.04 -1.52 0.23 0.00 0.31 0.00 0.00 61.69 60.75 3jty s THR 361 Cb -0.13 -2.31 0.42 0.00 0.01 0.00 0.00 72.50 70.50 3jty s THR 361 CO 0.02 0.00 1.85 0.00 -0.69 0.00 0.00 174.62 175.80 3jty h ALA 362 N 2.30 2.45 -0.00 7.40 0.00 -2.01 -2.66 119.26 126.74 3jty h ALA 362 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3jty h ALA 362 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3jty h ALA 362 CO 0.39 -0.76 -0.05 0.25 0.00 0.00 0.00 179.25 179.08 3jty n THR 363 N -4.44 0.00 -4.82 0.00 -2.24 -1.26 -5.04 114.28 96.48 3jty n THR 363 Ca 0.21 -0.48 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 3jty n THR 363 Cb 0.84 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.94 3jty n THR 363 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jty s VAL 364 N -0.66 1.40 -0.00 2.28 1.01 -1.00 -5.03 120.40 118.39 3jty s VAL 364 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3jty s VAL 364 Cb 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3jty s VAL 364 CO 0.06 0.40 0.68 -1.54 0.00 0.00 0.00 175.10 174.70 3jty n SER 365 N 3.09 0.49 0.00 3.32 3.41 -1.25 0.93 113.62 123.60 3jty n SER 365 Ca -0.18 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3jty n SER 365 Cb 0.53 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3jty n SER 365 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jty n ASP 366 N -0.15 0.26 -4.73 4.04 5.75 -1.21 -4.76 116.55 115.76 3jty n ASP 366 Ca 0.01 -0.65 -0.38 0.00 -0.01 0.00 0.00 54.79 53.76 3jty n ASP 366 Cb 0.48 0.23 0.05 0.00 -1.03 0.00 0.00 41.12 40.85 3jty n ASP 366 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jty n GLY 367 N 0.23 0.60 3.41 6.12 0.00 -1.16 -4.27 105.19 110.13 3jty n GLY 367 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3jty n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jty s LYS 368 N -3.00 1.87 -0.03 1.61 1.02 -1.26 -1.94 119.74 118.01 3jty s LYS 368 Ca 0.75 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 55.67 3jty s LYS 368 Cb -0.41 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.84 3jty s LYS 368 CO 0.46 0.51 -0.08 -1.21 -0.92 0.00 0.00 175.35 174.12 3jty s GLU 369 N -1.49 0.93 -0.12 1.68 2.02 -0.40 -2.81 118.70 118.51 3jty s GLU 369 Ca 0.14 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.89 3jty s GLU 369 Cb -0.10 -0.87 0.02 0.00 0.10 0.00 0.00 34.13 33.27 3jty s GLU 369 CO 0.04 0.06 -0.15 -1.58 0.02 0.00 0.00 175.26 173.65 3jty s TRP 370 N 0.36 2.04 -0.03 1.61 0.51 -0.02 0.53 118.94 123.95 3jty s TRP 370 Ca -0.06 -1.00 0.07 0.00 -2.12 0.00 0.00 56.10 53.00 3jty s TRP 370 Cb -0.10 -1.47 -0.02 0.00 -0.81 0.00 0.00 33.47 31.07 3jty s TRP 370 CO 0.01 -0.52 -0.25 0.20 -0.51 0.00 0.00 176.95 175.88 3jty s GLY 371 N 1.08 1.30 -0.06 0.98 0.00 -0.05 -1.07 107.32 109.49 3jty s GLY 371 Ca -0.04 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.59 3jty s GLY 371 CO -0.03 -0.90 -0.11 0.50 0.00 0.00 0.00 173.10 172.57 3jty s ARG 372 N -0.60 1.53 0.02 2.90 1.81 -0.46 -0.81 118.95 123.34 3jty s ARG 372 Ca 0.09 -0.35 -0.07 0.00 -1.72 0.00 0.00 55.73 53.69 3jty s ARG 372 Cb -0.10 -1.32 -0.00 0.00 -0.45 0.00 0.00 34.95 33.08 3jty s ARG 372 CO -0.01 -0.01 0.12 -1.21 -0.68 0.00 0.00 175.30 173.51 3jty s GLU 373 N 0.77 0.53 -0.03 3.54 2.02 -0.31 -0.92 118.70 124.31 3jty s GLU 373 Ca -0.13 -0.56 -0.19 0.00 0.02 0.00 0.00 54.97 54.11 3jty s GLU 373 Cb -0.15 0.22 0.04 0.00 0.10 0.00 0.00 34.13 34.33 3jty s GLU 373 CO 0.02 -0.13 0.41 0.45 0.02 0.00 0.00 175.26 176.03 3jty s SER 374 N -1.73 -0.32 -0.09 -0.19 0.15 -0.60 -0.61 113.70 110.32 3jty s SER 374 Ca -0.10 0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.79 3jty s SER 374 Cb -0.05 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.71 3jty s SER 374 CO -0.01 -0.47 0.19 -0.70 1.20 0.00 0.00 173.24 173.45 3jty s GLU 375 N -1.20 0.14 -0.19 5.44 2.12 0.24 -1.45 118.70 123.79 3jty s GLU 375 Ca -0.12 0.47 -0.07 0.00 0.36 0.00 0.00 54.97 55.62 3jty s GLU 375 Cb -0.04 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.16 3jty s GLU 375 CO 0.05 -0.18 0.04 0.08 -0.54 0.00 0.00 175.26 174.71 3jty s VAL 376 N 1.37 4.47 -0.02 3.70 1.01 -0.73 -0.18 120.40 130.02 3jty s VAL 376 Ca -0.08 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3jty s VAL 376 Cb -0.11 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3jty s VAL 376 CO -0.07 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.41 3jty s ALA 377 N 0.66 0.64 -0.05 5.51 0.00 -0.71 -0.62 121.76 127.19 3jty s ALA 377 Ca 0.02 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3jty s ALA 377 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3jty s ALA 377 CO 0.02 0.08 -0.16 -0.47 0.00 0.00 0.00 175.76 175.23 3jty s TYR 378 N 0.36 1.63 -0.22 0.00 5.04 -0.32 -1.40 117.35 122.43 3jty s TYR 378 Ca -0.05 -0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 54.07 3jty s TYR 378 Cb -0.09 -1.12 0.01 0.00 0.35 0.00 0.00 41.96 41.12 3jty s TYR 378 CO 0.00 -0.19 -0.10 0.99 -1.34 0.00 0.00 175.55 174.91 3jty s THR 379 N 0.18 2.78 0.15 4.34 2.01 -0.43 -0.81 115.64 123.87 3jty s THR 379 Ca -0.06 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 3jty s THR 379 Cb -0.12 -2.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.99 3jty s THR 379 CO 0.03 0.38 1.57 -0.69 -0.69 0.00 0.00 174.62 175.22 3jty s VAL 380 N 1.36 2.71 -0.13 3.82 1.01 -0.30 -4.35 120.40 124.52 3jty s VAL 380 Ca 0.03 0.47 0.15 0.00 0.00 0.00 0.00 61.98 62.64 3jty s VAL 380 Cb -0.15 -3.30 -0.24 0.00 0.00 0.00 0.00 36.38 32.69 3jty s VAL 380 CO -0.07 0.03 0.33 0.00 0.00 0.00 0.00 175.10 175.39 3jty n GLN 381 N 4.20 0.66 -3.98 2.72 1.13 -1.26 -1.17 117.38 119.69 3jty n GLN 381 Ca 0.14 0.13 -0.10 0.00 -1.94 0.00 0.00 57.00 55.23 3jty n GLN 381 Cb 0.39 -1.64 -0.11 0.00 0.11 0.00 0.00 30.24 28.98 3jty n GLN 381 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3jty s SER 382 N -5.76 0.27 0.00 1.08 1.04 -1.26 -4.84 113.70 104.22 3jty s SER 382 Ca -0.08 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3jty s SER 382 Cb 0.07 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3jty s SER 382 CO 0.83 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.40 3jty n GLY 383 N 1.75 0.33 0.13 7.32 0.00 -1.26 -4.40 105.19 109.06 3jty n GLY 383 Ca -0.23 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.56 3jty n GLY 383 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3jty h THR 384 N 0.00 1.06 0.00 2.61 1.35 -2.00 -3.24 112.91 112.69 3jty h THR 384 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 3jty h THR 384 Cb 0.00 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3jty h THR 384 CO 0.00 0.73 0.00 0.18 -0.25 0.00 0.00 175.52 176.18 3jty n LEU 385 N -3.89 0.57 -4.72 3.87 4.77 -1.26 -4.90 117.00 111.43 3jty n LEU 385 Ca -0.24 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 3jty n LEU 385 Cb 0.92 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3jty n LEU 385 CO 0.43 0.14 1.17 -0.54 -1.33 0.00 0.00 177.39 177.27 3jty s LYS 386 N -1.03 4.24 0.00 3.23 -0.14 -1.23 -1.68 119.74 123.13 3jty s LYS 386 Ca 0.00 2.30 0.00 0.00 -1.36 0.00 0.00 55.97 56.91 3jty s LYS 386 Cb 0.00 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 3jty s LYS 386 CO 0.00 -0.54 0.00 0.09 -0.76 0.00 0.00 175.35 174.14 3jty n ASN 387 N 3.60 0.00 -4.67 2.83 3.02 -0.32 -4.95 115.26 114.78 3jty n ASN 387 Ca 0.12 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.20 3jty n ASN 387 Cb 0.40 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 3jty n ASN 387 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3jty n LEU 388 N 0.00 3.07 -4.27 3.41 7.94 -0.68 -4.44 117.00 122.03 3jty n LEU 388 Ca 0.00 1.07 -0.33 0.00 -1.11 0.00 0.00 56.01 55.64 3jty n LEU 388 Cb 0.00 -1.41 -0.15 0.00 0.53 0.00 0.00 43.42 42.39 3jty n LEU 388 CO 0.00 -0.30 -0.48 0.21 -1.11 0.00 0.00 177.39 175.71 3jty s ASN 389 N 1.35 3.64 -0.16 1.96 2.47 -0.46 -1.15 114.94 122.59 3jty s ASN 389 Ca 0.81 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 53.63 3jty s ASN 389 Cb -0.70 -1.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 3jty s ASN 389 CO 0.40 0.10 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.96 3jty s LEU 390 N 0.74 2.40 -0.14 3.21 1.02 0.01 -1.00 118.68 124.93 3jty s LEU 390 Ca -0.07 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.59 3jty s LEU 390 Cb -0.16 -1.54 0.02 0.00 0.02 0.00 0.00 46.19 44.53 3jty s LEU 390 CO 0.01 0.07 -0.18 -0.54 0.02 0.00 0.00 176.35 175.73 3jty s LYS 391 N 0.89 2.59 -0.36 1.70 1.02 0.50 -1.18 119.74 124.90 3jty s LYS 391 Ca -0.04 -0.69 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 3jty s LYS 391 Cb -0.15 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3jty s LYS 391 CO -0.02 -0.10 0.16 -0.46 -0.92 0.00 0.00 175.35 174.01 3jty s TRP 392 N 1.08 3.26 -0.19 3.18 -0.00 0.21 -1.43 118.94 125.06 3jty s TRP 392 Ca -0.03 -1.27 -0.08 0.00 -0.00 0.00 0.00 56.10 54.72 3jty s TRP 392 Cb -0.14 -2.42 -0.04 0.00 -0.00 0.00 0.00 33.47 30.86 3jty s TRP 392 CO -0.05 -0.71 0.08 1.03 -0.00 0.00 0.00 176.95 177.30 3jty s ARG 393 N 1.46 4.02 -0.01 5.86 0.52 0.12 -1.78 118.95 129.15 3jty s ARG 393 Ca 0.00 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.96 3jty s ARG 393 Cb -0.20 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 3jty s ARG 393 CO 0.04 0.26 -0.20 1.21 0.02 0.00 0.00 175.30 176.63 3jty s ASN 394 N 0.43 2.33 -0.03 0.23 2.47 -0.53 -0.37 114.94 119.47 3jty s ASN 394 Ca 0.04 -0.38 -0.09 0.00 0.42 0.00 0.00 52.86 52.85 3jty s ASN 394 Cb -0.12 -0.25 0.01 0.00 -1.45 0.00 0.00 41.25 39.44 3jty s ASN 394 CO -0.00 0.23 0.20 -0.44 -3.72 0.00 0.00 177.10 173.37 3jty s SER 395 N -0.57 -0.10 -0.02 -4.21 0.01 -0.53 -1.56 113.70 106.73 3jty s SER 395 Ca 0.08 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.42 3jty s SER 395 Cb -0.08 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 3jty s SER 395 CO -0.00 -0.31 -0.15 -0.89 0.41 0.00 0.00 173.24 172.30 3jty s THR 396 N -0.96 1.18 -0.09 1.44 2.01 -0.10 -1.59 115.64 117.53 3jty s THR 396 Ca -0.10 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.30 3jty s THR 396 Cb -0.05 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.48 3jty s THR 396 CO 0.02 0.34 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.81 3jty s MET 397 N -0.23 2.17 -0.00 4.92 1.75 -0.46 -1.36 119.30 126.08 3jty s MET 397 Ca 0.03 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 53.95 3jty s MET 397 Cb -0.07 -1.78 -0.01 0.00 2.84 0.00 0.00 34.83 35.81 3jty s MET 397 CO -0.00 0.01 -0.12 1.03 -0.65 0.00 0.00 175.02 175.29 3jty s ARG 398 N 0.76 0.93 0.00 4.11 1.81 -0.24 -1.36 118.95 124.96 3jty s ARG 398 Ca -0.12 -0.46 -0.02 0.00 -1.72 0.00 0.00 55.73 53.41 3jty s ARG 398 Cb -0.16 -0.90 -0.01 0.00 -0.45 0.00 0.00 34.95 33.44 3jty s ARG 398 CO 0.02 0.24 0.03 1.03 -0.68 0.00 0.00 175.30 175.94 3jty s ARG 399 N -0.40 0.26 0.00 3.54 0.52 -1.26 -0.84 118.95 120.77 3jty s ARG 399 Ca 0.04 -0.34 0.24 0.00 -0.52 0.00 0.00 55.73 55.15 3jty s ARG 399 Cb -0.05 0.10 0.36 0.00 0.52 0.00 0.00 34.95 35.88 3jty s ARG 399 CO -0.00 -0.05 1.36 -0.40 0.02 0.00 0.00 175.30 176.23 3jty n ASP 400 N 2.06 2.85 -0.04 0.23 5.68 -1.12 -4.53 116.55 121.67 3jty n ASP 400 Ca -0.20 -1.93 0.01 0.00 -0.50 0.00 0.00 54.79 52.17 3jty n ASP 400 Cb 0.57 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3jty n ASP 400 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3jty n PHE 401 N 1.19 0.00 -3.94 2.11 1.16 -1.26 -4.96 117.46 111.76 3jty n PHE 401 Ca 0.16 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.64 3jty n PHE 401 Cb 0.56 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 3jty n PHE 401 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3jty s SER 402 N -0.37 0.08 0.00 5.98 1.04 -1.26 -5.02 113.70 114.15 3jty s SER 402 Ca 0.01 -1.01 0.28 0.00 0.48 0.00 0.00 55.95 55.70 3jty s SER 402 Cb 0.01 0.70 0.98 0.00 0.10 0.00 0.00 66.02 67.80 3jty s SER 402 CO 0.02 -1.35 1.70 -0.46 0.98 0.00 0.00 173.24 174.14 3jty n ASN 403 N -0.83 1.43 -3.24 7.02 6.94 -1.26 -4.71 115.26 120.60 3jty n ASN 403 Ca -0.03 -1.38 -0.28 0.00 -0.02 0.00 0.00 54.58 52.87 3jty n ASN 403 Cb 0.61 0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 38.03 3jty n ASN 403 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3jty n ASN 404 N 0.03 5.83 -4.45 0.53 5.15 -1.26 -4.78 115.26 116.32 3jty n ASN 404 Ca 0.18 -2.41 -0.32 0.00 -0.60 0.00 0.00 54.58 51.43 3jty n ASN 404 Cb 0.36 -1.23 -0.13 0.00 -0.53 0.00 0.00 39.78 38.24 3jty n ASN 404 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3jty s GLU 405 N 3.14 2.34 0.08 1.20 2.02 -1.26 -4.81 118.70 121.41 3jty s GLU 405 Ca 0.48 -0.80 -0.27 0.00 0.02 0.00 0.00 54.97 54.40 3jty s GLU 405 Cb 0.12 -2.28 0.08 0.00 0.10 0.00 0.00 34.13 32.16 3jty s GLU 405 CO -0.04 0.59 1.02 -0.59 0.02 0.00 0.00 175.26 176.27 3jty s PHE 406 N -0.76 -0.15 0.16 1.61 -0.12 -0.47 -2.80 117.98 115.46 3jty s PHE 406 Ca 0.12 -0.08 0.08 0.00 -0.05 0.00 0.00 56.93 57.00 3jty s PHE 406 Cb -0.10 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 3jty s PHE 406 CO 0.01 -0.66 -0.08 -0.51 -0.05 0.00 0.00 175.22 173.93 3jty s ASP 407 N -2.84 4.34 -0.19 1.98 1.01 0.03 -1.36 116.67 119.63 3jty s ASP 407 Ca 0.11 -0.52 -0.17 0.00 0.71 0.00 0.00 52.55 52.68 3jty s ASP 407 Cb -0.00 -0.78 0.05 0.00 1.01 0.00 0.00 42.92 43.20 3jty s ASP 407 CO -0.01 0.12 0.51 -0.70 0.21 0.00 0.00 175.17 175.30 3jty s GLU 408 N -2.71 0.59 -0.01 8.23 2.12 -0.62 0.09 118.70 126.38 3jty s GLU 408 Ca 0.24 0.73 0.05 0.00 0.36 0.00 0.00 54.97 56.35 3jty s GLU 408 Cb -0.09 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 3jty s GLU 408 CO 0.15 -0.08 -0.15 -0.80 -0.54 0.00 0.00 175.26 173.84 3jty s ASN 409 N 0.35 1.81 -0.03 -1.70 0.01 -0.30 -1.45 114.94 113.64 3jty s ASN 409 Ca -0.01 -0.28 0.05 0.00 -0.71 0.00 0.00 52.86 51.91 3jty s ASN 409 Cb -0.04 -0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.40 3jty s ASN 409 CO -0.00 0.19 -0.18 -0.13 -1.51 0.00 0.00 177.10 175.46 3jty s ARG 410 N -0.35 1.69 -0.08 -0.60 0.52 0.50 -0.60 118.95 120.03 3jty s ARG 410 Ca 0.06 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3jty s ARG 410 Cb -0.06 -1.53 0.01 0.00 0.52 0.00 0.00 34.95 33.89 3jty s ARG 410 CO -0.01 0.32 -0.16 -1.17 0.02 0.00 0.00 175.30 174.30 3jty s LEU 411 N -0.17 1.78 -0.18 2.53 2.96 -0.40 -0.70 118.68 124.50 3jty s LEU 411 Ca 0.01 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3jty s LEU 411 Cb -0.10 -1.01 0.06 0.00 0.50 0.00 0.00 46.19 45.65 3jty s LEU 411 CO 0.01 0.07 0.05 -0.63 -1.32 0.00 0.00 176.35 174.53 3jty s ILE 412 N 0.58 0.28 -0.13 6.68 1.01 -0.51 -0.40 121.20 128.70 3jty s ILE 412 Ca -0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 3jty s ILE 412 Cb -0.16 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3jty s ILE 412 CO 0.05 -0.21 -0.12 -0.63 0.00 0.00 0.00 174.94 174.03 3jty s ILE 413 N 1.97 3.12 -0.09 2.92 1.01 -0.26 -0.37 121.20 129.50 3jty s ILE 413 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 3jty s ILE 413 Cb -0.16 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.02 3jty s ILE 413 CO -0.08 0.52 0.24 -0.94 0.00 0.00 0.00 174.94 174.68 3jty s SER 414 N 0.35 -0.25 -0.17 3.58 1.04 -0.17 0.01 113.70 118.08 3jty s SER 414 Ca -0.10 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.82 3jty s SER 414 Cb -0.16 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3jty s SER 414 CO 0.05 -0.09 -0.17 -0.47 0.98 0.00 0.00 173.24 173.54 3jty s TYR 415 N 0.20 2.79 -0.54 5.02 5.04 0.23 -1.36 117.35 128.72 3jty s TYR 415 Ca -0.01 -1.38 -0.22 0.00 -2.44 0.00 0.00 57.07 53.03 3jty s TYR 415 Cb -0.02 -1.93 0.05 0.00 0.35 0.00 0.00 41.96 40.42 3jty s TYR 415 CO -0.00 -0.68 0.80 -1.25 -1.34 0.00 0.00 175.55 173.08 3jty s PRO 416 N 1.15 3.21 -0.32 4.97 0.04 -1.26 -1.24 135.00 141.55 3jty s PRO 416 Ca 0.01 -0.63 -0.23 0.00 0.04 0.00 0.00 61.00 60.20 3jty s PRO 416 Cb -0.14 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.30 3jty s PRO 416 CO -0.07 -1.41 0.75 -1.17 0.04 0.00 0.00 177.00 175.13 3jty s LEU 417 N 3.35 4.12 -0.18 -3.56 2.96 0.17 -4.88 118.68 120.66 3jty s LEU 417 Ca 0.22 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 3jty s LEU 417 Cb -0.16 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 3jty s LEU 417 CO 0.15 -0.62 1.15 -0.55 -1.32 0.00 0.00 176.35 175.16 3jty s SER 418 N 1.69 7.03 0.00 3.68 0.15 -1.26 0.26 113.70 125.26 3jty s SER 418 Ca 0.30 1.56 0.22 0.00 0.70 0.00 0.00 55.95 58.74 3jty s SER 418 Cb -0.14 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.81 3jty s SER 418 CO 0.14 -0.70 1.21 0.18 1.20 0.00 0.00 173.24 175.27