#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 0.66 0.04 1.61 3.57 -1.74 -3.27 116.94 117.82 3jty h PHE 33 Ca 0.00 -0.13 -0.24 0.00 3.53 0.00 0.00 57.97 61.14 3jty h PHE 33 Cb 0.00 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3jty h PHE 33 CO 0.00 0.74 -1.28 -0.07 -2.23 0.00 0.00 178.31 175.47 3jty h LEU 34 N 0.39 0.14 -2.62 0.59 3.38 -1.92 -2.35 115.31 112.93 3jty h LEU 34 Ca 0.09 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3jty h LEU 34 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3jty h LEU 34 CO 0.02 1.53 0.00 -0.33 0.09 0.00 0.00 178.44 179.75 3jty h GLU 35 N -0.69 0.00 -0.21 1.13 5.08 -1.99 -2.03 114.58 115.86 3jty h GLU 35 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3jty h GLU 35 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3jty h GLU 35 CO -0.09 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.67 3jty n ASP 36 N -3.07 2.68 -4.73 1.42 8.00 -1.23 -4.89 116.55 114.74 3jty n ASP 36 Ca -0.02 -2.15 -0.42 0.00 0.71 0.00 0.00 54.79 52.91 3jty n ASP 36 Cb 0.12 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.27 3.82 -0.17 2.24 0.00 -0.77 -4.03 121.76 121.59 3jty s ALA 37 Ca 0.18 1.48 -0.00 0.00 0.00 0.00 0.00 51.96 53.61 3jty s ALA 37 Cb 0.11 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3jty s ALA 37 CO 0.09 -0.86 -0.15 -0.65 0.00 0.00 0.00 175.76 174.20 3jty s GLN 38 N 0.81 3.18 -0.04 0.00 -0.21 0.21 -4.97 119.66 118.65 3jty s GLN 38 Ca 0.70 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 55.32 3jty s GLN 38 Cb -0.46 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 30.91 3jty s GLN 38 CO 0.35 -0.07 0.02 0.00 -2.12 0.00 0.00 175.29 173.46 3jty s ALA 39 N 1.03 0.36 -0.06 6.09 0.00 -1.26 -0.37 121.76 127.54 3jty s ALA 39 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3jty s ALA 39 Cb -0.15 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.52 3jty s ALA 39 CO -0.04 -0.25 -0.10 -0.80 0.00 0.00 0.00 175.76 174.57 3jty s ASN 40 N 1.48 1.61 -0.41 0.00 0.01 0.23 -0.37 114.94 117.49 3jty s ASN 40 Ca -0.03 -0.26 -0.14 0.00 -0.71 0.00 0.00 52.86 51.71 3jty s ASN 40 Cb -0.13 -0.75 0.03 0.00 0.41 0.00 0.00 41.25 40.82 3jty s ASN 40 CO -0.03 0.01 0.30 -0.22 -1.51 0.00 0.00 177.10 175.65 3jty s LEU 41 N 0.75 5.12 -0.30 0.60 2.96 0.81 -0.88 118.68 127.74 3jty s LEU 41 Ca -0.13 -1.00 -0.18 0.00 -0.22 0.00 0.00 54.13 52.60 3jty s LEU 41 Cb -0.15 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3jty s LEU 41 CO 0.03 -0.47 0.50 -0.89 -1.32 0.00 0.00 176.35 174.20 3jty s THR 42 N 1.64 5.05 -0.28 3.68 2.01 -0.51 0.91 115.64 128.14 3jty s THR 42 Ca 0.04 0.63 -0.18 0.00 0.31 0.00 0.00 61.69 62.49 3jty s THR 42 Cb -0.20 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 3jty s THR 42 CO 0.09 -0.03 0.54 -0.76 -0.69 0.00 0.00 174.62 173.77 3jty s LEU 43 N 2.33 4.11 -0.22 4.42 1.02 0.32 -1.43 118.68 129.22 3jty s LEU 43 Ca 0.20 0.43 0.02 0.00 0.02 0.00 0.00 54.13 54.79 3jty s LEU 43 Cb -0.16 -2.69 0.05 0.00 0.02 0.00 0.00 46.19 43.41 3jty s LEU 43 CO 0.11 -0.36 -0.11 -0.60 0.02 0.00 0.00 176.35 175.41 3jty s ARG 44 N 2.39 2.15 -0.25 1.70 3.52 -0.64 -0.35 118.95 127.48 3jty s ARG 44 Ca 0.22 -1.02 -0.12 0.00 -0.13 0.00 0.00 55.73 54.68 3jty s ARG 44 Cb -0.15 -2.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.58 3jty s ARG 44 CO 0.10 -0.47 0.22 1.21 -0.81 0.00 0.00 175.30 175.55 3jty s ASN 45 N 1.29 6.16 -0.21 -2.12 2.47 0.16 -1.10 114.94 121.58 3jty s ASN 45 Ca -0.04 0.16 -0.01 0.00 0.42 0.00 0.00 52.86 53.40 3jty s ASN 45 Cb -0.17 -2.14 0.06 0.00 -1.45 0.00 0.00 41.25 37.55 3jty s ASN 45 CO -0.07 -0.01 -0.02 0.12 -3.72 0.00 0.00 177.10 173.40 3jty s PHE 46 N 1.35 1.79 -0.16 0.43 2.19 -0.20 -1.22 117.98 122.15 3jty s PHE 46 Ca 0.10 -1.35 -0.05 0.00 0.33 0.00 0.00 56.93 55.95 3jty s PHE 46 Cb -0.14 -1.33 -0.03 0.00 -1.31 0.00 0.00 43.02 40.20 3jty s PHE 46 CO 0.07 -0.70 0.02 -0.47 1.83 0.00 0.00 175.22 175.97 3jty s TYR 47 N 1.60 3.16 -0.17 10.12 5.04 0.37 -0.77 117.35 136.70 3jty s TYR 47 Ca -0.04 -0.05 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 3jty s TYR 47 Cb -0.18 -2.00 0.06 0.00 0.35 0.00 0.00 41.96 40.19 3jty s TYR 47 CO -0.07 0.13 0.06 0.12 -1.34 0.00 0.00 175.55 174.45 3jty s PHE 48 N 0.20 0.58 -0.26 4.97 5.99 0.04 -1.42 117.98 128.08 3jty s PHE 48 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 56.93 56.45 3jty s PHE 48 Cb -0.13 -0.84 0.06 0.00 0.00 0.00 0.00 43.02 42.12 3jty s PHE 48 CO 0.01 -0.53 -0.10 1.21 -0.00 0.00 0.00 175.22 175.81 3jty s ASN 49 N 2.01 4.35 -0.26 6.13 3.84 -0.55 -1.34 114.94 129.12 3jty s ASN 49 Ca 0.01 -1.38 -0.05 0.00 0.21 0.00 0.00 52.86 51.65 3jty s ASN 49 Cb -0.16 -1.48 -0.00 0.00 -0.55 0.00 0.00 41.25 39.05 3jty s ASN 49 CO -0.08 -0.20 0.03 -0.60 -2.79 0.00 0.00 177.10 173.45 3jty s ARG 50 N 1.15 3.24 -0.43 0.43 3.52 0.15 -1.42 118.95 125.60 3jty s ARG 50 Ca -0.08 -0.74 -0.16 0.00 -0.13 0.00 0.00 55.73 54.62 3jty s ARG 50 Cb -0.20 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3jty s ARG 50 CO -0.05 -0.32 0.40 1.21 -0.81 0.00 0.00 175.30 175.72 3jty s ASN 51 N 1.49 6.16 0.07 -2.12 2.47 0.13 -0.70 114.94 122.46 3jty s ASN 51 Ca 0.04 -0.86 -0.31 0.00 0.42 0.00 0.00 52.86 52.16 3jty s ASN 51 Cb -0.16 -2.20 -0.07 0.00 -1.45 0.00 0.00 41.25 37.37 3jty s ASN 51 CO 0.00 -0.57 1.32 -0.36 -3.72 0.00 0.00 177.10 173.77 3jty s PHE 52 N 1.96 3.24 -0.39 0.43 0.08 -0.40 -0.66 117.98 122.24 3jty s PHE 52 Ca 0.09 1.06 0.09 0.00 0.12 0.00 0.00 56.93 58.29 3jty s PHE 52 Cb -0.19 -3.58 -0.11 0.00 -0.57 0.00 0.00 43.02 38.57 3jty s PHE 52 CO 0.11 -1.98 0.38 0.25 -0.10 0.00 0.00 175.22 173.88 3jty n THR 53 N 4.09 0.00 -3.42 0.64 -2.24 -1.05 -4.84 114.28 107.46 3jty n THR 53 Ca 0.11 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 3jty n THR 53 Cb 0.44 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.48 3jty n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3jty s ASN 54 N -2.05 6.13 0.00 3.42 3.84 -1.26 -4.98 114.94 120.04 3jty s ASN 54 Ca 0.03 -0.90 0.16 0.00 0.21 0.00 0.00 52.86 52.36 3jty s ASN 54 Cb 0.07 -2.18 0.89 0.00 -0.55 0.00 0.00 41.25 39.48 3jty s ASN 54 CO 0.39 -0.50 1.42 -0.81 -2.79 0.00 0.00 177.10 174.80 3jty n PRO 55 N 5.27 0.37 0.10 0.43 -0.04 -1.26 -1.78 135.00 138.09 3jty n PRO 55 Ca -0.10 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 3jty n PRO 55 Cb 0.47 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.85 3jty n PRO 55 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3jty n THR 56 N -1.14 0.55 -2.76 0.52 -2.24 -1.26 -4.71 114.28 103.25 3jty n THR 56 Ca 0.10 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3jty n THR 56 Cb 0.09 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 3jty n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jty s LYS 57 N -3.09 4.50 0.12 -0.78 2.20 -0.73 -4.96 119.74 116.99 3jty s LYS 57 Ca 0.11 1.32 -0.13 0.00 -0.36 0.00 0.00 55.97 56.91 3jty s LYS 57 Cb 0.13 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.90 3jty s LYS 57 CO 0.59 -0.11 1.45 0.00 -0.36 0.00 0.00 175.35 176.92 3jty h ALA 58 N 6.89 0.49 -2.30 3.13 0.00 -1.87 -3.41 119.26 122.20 3jty h ALA 58 Ca -0.38 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.51 3jty h ALA 58 Cb 1.19 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3jty h ALA 58 CO 0.78 0.56 0.47 -1.14 0.00 0.00 0.00 179.25 179.92 3jty s GLN 59 N -4.37 4.21 0.17 0.00 0.74 -1.26 -4.96 119.66 114.19 3jty s GLN 59 Ca -0.12 0.98 0.21 0.00 0.05 0.00 0.00 55.36 56.48 3jty s GLN 59 Cb 0.10 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 3jty s GLN 59 CO 0.86 -0.48 0.98 0.41 -0.55 0.00 0.00 175.29 176.51 3jty n GLY 60 N 3.67 -1.40 3.30 2.59 0.00 -1.26 -4.79 105.19 107.29 3jty n GLY 60 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 3jty n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jty s LYS 61 N -3.27 0.79 -0.26 1.61 -2.85 -1.26 -1.27 119.74 113.22 3jty s LYS 61 Ca -0.01 -0.19 0.02 0.00 -1.00 0.00 0.00 55.97 54.79 3jty s LYS 61 Cb 0.09 0.35 0.06 0.00 -2.06 0.00 0.00 37.83 36.28 3jty s LYS 61 CO 0.80 -0.24 -0.08 0.00 0.10 0.00 0.00 175.35 175.93 3jty s ALA 62 N -1.64 2.43 -0.09 0.59 0.00 0.13 -4.52 121.76 118.66 3jty s ALA 62 Ca -0.11 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.13 3jty s ALA 62 Cb -0.03 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3jty s ALA 62 CO 0.03 -1.24 -0.06 -2.00 0.00 0.00 0.00 175.76 172.49 3jty s GLU 63 N 1.16 1.28 0.03 0.00 2.12 0.21 0.35 118.70 123.85 3jty s GLU 63 Ca -0.07 -0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 3jty s GLU 63 Cb -0.20 -1.35 -0.02 0.00 0.26 0.00 0.00 34.13 32.82 3jty s GLU 63 CO -0.06 -0.22 0.05 -1.21 -0.54 0.00 0.00 175.26 173.28 3jty s GLU 64 N 1.55 0.50 -0.03 4.30 2.02 -0.45 -4.40 118.70 122.19 3jty s GLU 64 Ca 0.01 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.26 3jty s GLU 64 Cb -0.13 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.32 3jty s GLU 64 CO -0.05 -0.11 0.03 -0.46 0.02 0.00 0.00 175.26 174.69 3jty s TRP 65 N -2.31 0.09 0.09 1.61 -0.00 -0.27 -0.78 118.94 117.38 3jty s TRP 65 Ca -0.08 0.12 0.05 0.00 -0.00 0.00 0.00 56.10 56.20 3jty s TRP 65 Cb -0.03 -0.31 -0.03 0.00 -0.00 0.00 0.00 33.47 33.09 3jty s TRP 65 CO -0.04 -0.12 -0.13 0.95 -0.00 0.00 0.00 176.95 177.62 3jty s THR 66 N 1.25 1.09 -0.06 5.86 -4.23 0.05 -1.65 115.64 117.95 3jty s THR 66 Ca -0.07 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 3jty s THR 66 Cb -0.13 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 3jty s THR 66 CO -0.03 -0.38 -0.22 -1.58 -0.54 0.00 0.00 174.62 171.87 3jty s GLN 67 N -2.29 2.63 0.09 3.99 2.00 -0.99 -1.04 119.66 124.05 3jty s GLN 67 Ca 0.03 -0.84 0.02 0.00 -2.00 0.00 0.00 55.36 52.57 3jty s GLN 67 Cb -0.07 -2.26 -0.04 0.00 0.80 0.00 0.00 33.01 31.45 3jty s GLN 67 CO 0.02 0.41 -0.07 -1.12 -0.50 0.00 0.00 175.29 174.03 3jty s SER 68 N -0.22 1.11 -0.06 6.67 0.01 -0.26 -1.09 113.70 119.85 3jty s SER 68 Ca -0.01 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 3jty s SER 68 Cb -0.13 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.20 3jty s SER 68 CO 0.03 -0.40 0.01 -0.36 0.41 0.00 0.00 173.24 172.94 3jty s PHE 69 N -3.10 0.53 -0.32 2.43 0.08 0.63 -1.62 117.98 116.61 3jty s PHE 69 Ca 0.07 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.08 3jty s PHE 69 Cb 0.02 -0.72 0.09 0.00 -0.57 0.00 0.00 43.02 41.84 3jty s PHE 69 CO -0.03 -0.29 0.03 0.42 -0.10 0.00 0.00 175.22 175.25 3jty s ILE 70 N 1.98 2.10 -0.47 0.64 1.01 -0.51 -1.95 121.20 124.00 3jty s ILE 70 Ca 0.05 -2.13 -0.29 0.00 0.00 0.00 0.00 60.65 58.27 3jty s ILE 70 Cb -0.12 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.87 3jty s ILE 70 CO -0.05 -0.53 1.17 -0.22 0.00 0.00 0.00 174.94 175.32 3jty s LEU 71 N 1.01 3.63 -0.38 2.97 2.96 0.10 -1.42 118.68 127.56 3jty s LEU 71 Ca 0.08 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3jty s LEU 71 Cb -0.19 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.04 3jty s LEU 71 CO -0.09 -1.27 0.15 -0.62 -1.32 0.00 0.00 176.35 173.20 3jty s ASP 72 N 2.61 5.23 -0.24 3.68 -1.08 -0.06 -0.98 116.67 125.83 3jty s ASP 72 Ca 0.49 -1.67 0.02 0.00 -0.52 0.00 0.00 52.55 50.87 3jty s ASP 72 Cb -0.08 -1.83 0.05 0.00 -1.46 0.00 0.00 42.92 39.61 3jty s ASP 72 CO 0.32 -0.45 -0.11 0.00 0.52 0.00 0.00 175.17 175.45 3jty s ALA 73 N 1.24 2.34 -0.24 3.66 0.00 -0.78 -0.60 121.76 127.38 3jty s ALA 73 Ca 0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 3jty s ALA 73 Cb -0.22 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.44 3jty s ALA 73 CO -0.02 -1.06 -0.04 0.15 0.00 0.00 0.00 175.76 174.79 3jty s LYS 74 N 1.22 3.12 0.88 0.00 1.02 0.50 -0.20 119.74 126.29 3jty s LYS 74 Ca -0.06 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.02 3jty s LYS 74 Cb -0.19 -3.02 0.12 0.00 -0.52 0.00 0.00 37.83 34.23 3jty s LYS 74 CO -0.06 -0.30 1.09 -1.54 -0.92 0.00 0.00 175.35 173.62 3jty s SER 75 N 1.41 3.58 0.82 2.83 1.04 -0.51 -0.62 113.70 122.26 3jty s SER 75 Ca 0.03 1.50 -0.06 0.00 0.48 0.00 0.00 55.95 57.91 3jty s SER 75 Cb -0.15 -2.19 0.16 0.00 0.10 0.00 0.00 66.02 63.94 3jty s SER 75 CO -0.04 -2.57 1.02 0.61 0.98 0.00 0.00 173.24 173.24 3jty n GLY 76 N -1.17 -0.14 3.83 7.32 0.00 -0.88 -4.70 105.19 109.45 3jty n GLY 76 Ca 0.07 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.11 3.70 0.34 1.61 0.08 -1.25 -4.31 117.98 115.03 3jty s PHE 77 Ca 0.63 1.15 -0.28 0.00 0.12 0.00 0.00 56.93 58.55 3jty s PHE 77 Cb -0.03 -2.42 -0.12 0.00 -0.57 0.00 0.00 43.02 39.88 3jty s PHE 77 CO 0.43 0.51 1.34 0.25 -0.10 0.00 0.00 175.22 177.65 3jty n THR 78 N 1.27 1.86 -2.12 0.64 -2.24 -0.08 -3.24 114.28 110.37 3jty n THR 78 Ca -0.08 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 3jty n THR 78 Cb 0.51 -1.64 -0.02 0.00 -2.10 0.00 0.00 70.33 67.08 3jty n THR 78 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jty s GLN 79 N -1.72 4.35 0.00 -0.78 -0.21 -1.26 -4.12 119.66 115.92 3jty s GLN 79 Ca 0.57 2.19 0.00 0.00 0.02 0.00 0.00 55.36 58.14 3jty s GLN 79 Cb -0.56 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.34 3jty s GLN 79 CO 0.61 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 3jty n GLY 80 N 1.40 0.70 0.16 3.09 0.00 -1.26 -4.89 105.19 104.40 3jty n GLY 80 Ca 0.03 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 1.17 -3.63 2.61 2.02 -1.93 -3.38 112.91 109.78 3jty h THR 81 Ca 0.00 -0.52 -0.68 0.00 0.77 0.00 0.00 66.41 65.98 3jty h THR 81 Cb 0.00 0.92 -0.28 0.00 -1.74 0.00 0.00 68.15 67.04 3jty h THR 81 CO 0.00 0.18 -0.64 -0.69 0.37 0.00 0.00 175.52 174.74 3jty s VAL 82 N -5.62 3.69 0.01 3.16 1.01 -1.26 -4.06 120.40 117.34 3jty s VAL 82 Ca -0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 3jty s VAL 82 Cb 0.09 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3jty s VAL 82 CO 0.73 -0.01 0.16 -0.83 0.00 0.00 0.00 175.10 175.16 3jty s GLY 83 N 1.43 2.14 0.08 4.51 0.00 -0.41 -4.89 107.32 110.18 3jty s GLY 83 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3jty s GLY 83 CO 0.01 -0.71 -0.11 -0.12 0.00 0.00 0.00 173.10 172.17 3jty s PHE 84 N -1.33 1.02 0.00 1.90 5.36 -1.26 -0.03 117.98 123.64 3jty s PHE 84 Ca 0.28 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 3jty s PHE 84 Cb -0.13 -0.57 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 3jty s PHE 84 CO 0.19 -0.00 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 3jty n GLY 85 N 0.97 1.73 3.33 13.12 0.00 -0.68 -0.90 105.19 122.75 3jty n GLY 85 Ca -0.19 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 3jty n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3jty s MET 86 N -1.86 0.48 -0.13 1.61 1.75 -1.26 -1.79 119.30 118.10 3jty s MET 86 Ca 0.00 0.72 0.02 0.00 -1.25 0.00 0.00 55.69 55.19 3jty s MET 86 Cb 0.00 0.14 0.01 0.00 2.84 0.00 0.00 34.83 37.82 3jty s MET 86 CO 0.00 -0.11 -0.21 -0.51 -0.65 0.00 0.00 175.02 173.55 3jty s ASP 87 N 0.78 2.97 -0.10 1.11 1.01 0.18 -1.42 116.67 121.20 3jty s ASP 87 Ca -0.04 -0.57 -0.03 0.00 0.71 0.00 0.00 52.55 52.62 3jty s ASP 87 Cb -0.05 -1.37 -0.03 0.00 1.01 0.00 0.00 42.92 42.47 3jty s ASP 87 CO -0.06 0.07 0.02 -0.69 0.21 0.00 0.00 175.17 174.72 3jty s VAL 88 N 0.81 4.45 -0.28 -1.27 1.01 0.72 -0.61 120.40 125.23 3jty s VAL 88 Ca -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3jty s VAL 88 Cb -0.16 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.41 3jty s VAL 88 CO -0.01 0.59 0.04 -0.22 0.00 0.00 0.00 175.10 175.50 3jty s LEU 89 N -0.68 2.51 -0.19 3.92 2.96 0.57 -1.86 118.68 125.90 3jty s LEU 89 Ca 0.11 -1.47 -0.02 0.00 -0.22 0.00 0.00 54.13 52.53 3jty s LEU 89 Cb -0.12 -1.01 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 3jty s LEU 89 CO 0.02 -0.35 -0.10 -0.83 -1.32 0.00 0.00 176.35 173.77 3jty s GLY 90 N 1.50 1.53 -0.08 7.98 0.00 -0.16 0.12 107.32 118.22 3jty s GLY 90 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 3jty s GLY 90 CO -0.16 0.28 -0.02 1.08 0.00 0.00 0.00 173.10 174.28 3jty s LEU 91 N 1.24 0.82 -0.02 0.66 1.43 -0.71 0.01 118.68 122.11 3jty s LEU 91 Ca 0.03 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3jty s LEU 91 Cb -0.14 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3jty s LEU 91 CO -0.04 -0.16 0.11 -0.47 0.23 0.00 0.00 176.35 176.02 3jty s TYR 92 N 1.79 -0.01 -0.12 0.29 5.04 -0.82 -0.86 117.35 122.66 3jty s TYR 92 Ca 0.03 0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.60 3jty s TYR 92 Cb -0.13 -0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.20 3jty s TYR 92 CO -0.05 -0.17 0.30 0.45 -1.34 0.00 0.00 175.55 174.73 3jty s SER 93 N -0.73 -0.32 -0.02 4.32 0.15 -0.38 -0.27 113.70 116.45 3jty s SER 93 Ca -0.08 0.62 0.06 0.00 0.70 0.00 0.00 55.95 57.24 3jty s SER 93 Cb -0.05 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 3jty s SER 93 CO 0.01 -0.13 -0.18 -1.48 1.20 0.00 0.00 173.24 172.66 3jty s LEU 94 N 0.50 2.02 -0.12 3.45 0.05 -0.25 -1.04 118.68 123.30 3jty s LEU 94 Ca -0.03 -0.34 -0.30 0.00 0.05 0.00 0.00 54.13 53.52 3jty s LEU 94 Cb -0.04 -0.96 -0.02 0.00 -2.05 0.00 0.00 46.19 43.11 3jty s LEU 94 CO -0.03 0.22 1.22 -0.75 -0.55 0.00 0.00 176.35 176.46 3jty s LYS 95 N -0.37 4.29 -0.15 1.48 2.20 0.94 -2.35 119.74 125.77 3jty s LYS 95 Ca 0.06 1.64 0.10 0.00 -0.36 0.00 0.00 55.97 57.41 3jty s LYS 95 Cb -0.08 -3.66 -0.23 0.00 -1.51 0.00 0.00 37.83 32.35 3jty s LYS 95 CO -0.00 -0.58 0.23 1.28 -0.36 0.00 0.00 175.35 175.92 3jty n LEU 96 N 5.91 1.24 -3.63 5.43 4.77 -0.66 -4.98 117.00 125.08 3jty n LEU 96 Ca 0.12 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3jty n LEU 96 Cb 0.46 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3jty n LEU 96 CO 0.55 0.61 0.41 -0.62 -1.33 0.00 0.00 177.39 177.01 3jty s ASP 97 N -6.10 -0.78 0.00 -1.43 2.15 -1.14 -4.98 116.67 104.39 3jty s ASP 97 Ca -0.15 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.29 3jty s ASP 97 Cb 0.07 1.46 0.00 0.00 -0.30 0.00 0.00 42.92 44.15 3jty s ASP 97 CO 0.77 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 176.14 3jty n GLY 98 N 2.95 0.73 3.82 2.66 0.00 -1.26 -1.11 105.19 112.97 3jty n GLY 98 Ca -0.15 0.55 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 3jty n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jty s GLY 99 N 0.00 1.46 0.42 -0.02 0.00 -1.26 -4.89 107.32 103.03 3jty s GLY 99 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 44.72 43.07 3jty s GLY 99 CO 0.00 -1.43 1.34 0.58 0.00 0.00 0.00 173.10 173.60 3jty n LYS 100 N -1.03 2.12 -0.14 2.90 2.85 -1.26 -1.78 118.16 121.81 3jty n LYS 100 Ca -0.08 0.75 0.00 0.00 -1.05 0.00 0.00 58.31 57.93 3jty n LYS 100 Cb 0.57 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 3jty n LYS 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3jty n GLY 101 N 0.70 2.20 0.15 2.58 0.00 -1.26 -4.76 105.19 104.80 3jty n GLY 101 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 3jty n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3jty n THR 102 N -2.00 0.74 -2.94 2.61 -1.04 -0.74 -4.86 114.28 106.05 3jty n THR 102 Ca 0.00 -0.85 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 3jty n THR 102 Cb 0.00 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 3jty n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jty n GLY 103 N -0.50 4.57 0.00 3.41 0.00 -1.14 -0.61 105.19 110.91 3jty n GLY 103 Ca 0.04 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 1.00 0.49 -0.02 0.00 -1.26 -4.73 105.19 105.66 3jty n GLY 104 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.31 3jty n GLY 104 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jty h THR 105 N 0.00 0.24 -1.01 2.61 2.02 -1.92 -3.46 112.91 111.39 3jty h THR 105 Ca 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 3jty h THR 105 Cb 0.00 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 66.67 3jty h THR 105 CO 0.00 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.60 3jty n GLN 106 N -3.70 -1.05 0.12 6.66 6.02 -1.26 -4.91 117.38 119.27 3jty n GLN 106 Ca 0.19 0.94 0.13 0.00 -0.01 0.00 0.00 57.00 58.25 3jty n GLN 106 Cb 1.14 -5.10 0.45 0.00 1.02 0.00 0.00 30.24 27.74 3jty n GLN 106 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3jty n LEU 107 N -1.76 0.76 -3.72 1.08 4.77 -1.26 -4.36 117.00 112.52 3jty n LEU 107 Ca -0.15 0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 56.31 3jty n LEU 107 Cb 0.51 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 3jty n LEU 107 CO 0.22 -0.36 0.10 -0.76 -1.33 0.00 0.00 177.39 175.25 3jty s LEU 108 N -4.53 0.58 0.54 2.23 1.43 -1.26 -4.31 118.68 113.36 3jty s LEU 108 Ca 0.08 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 3jty s LEU 108 Cb 0.11 1.49 -0.05 0.00 0.03 0.00 0.00 46.19 47.77 3jty s LEU 108 CO 0.50 -0.47 1.31 -2.84 0.23 0.00 0.00 176.35 175.09 3jty s PRO 109 N -1.27 3.18 -0.21 1.29 0.02 -1.23 -4.87 135.00 131.92 3jty s PRO 109 Ca -0.13 2.13 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 3jty s PRO 109 Cb -0.04 -2.23 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 3jty s PRO 109 CO 0.05 -1.12 0.26 -0.51 -0.33 0.00 0.00 177.00 175.35 3jty s LEU 110 N -3.54 4.15 -0.54 -5.54 2.01 -1.26 -0.96 118.68 113.00 3jty s LEU 110 Ca 0.71 0.31 -0.12 0.00 0.01 0.00 0.00 54.13 55.05 3jty s LEU 110 Cb -0.38 -2.28 0.13 0.00 0.01 0.00 0.00 46.19 43.67 3jty s LEU 110 CO 0.44 0.02 0.45 -2.16 1.01 0.00 0.00 176.35 176.11 3jty s PRO 116 N 1.05 2.78 0.94 1.29 0.05 -1.26 -5.22 135.00 134.62 3jty s PRO 116 Ca 0.13 -1.85 -0.10 0.00 0.05 0.00 0.00 61.00 59.23 3jty s PRO 116 Cb -0.14 -4.11 0.16 0.00 0.05 0.00 0.00 34.50 30.47 3jty s PRO 116 CO 0.05 -1.25 1.13 0.00 0.05 0.00 0.00 177.00 176.98 3jty s ALA 117 N 1.28 1.27 0.03 8.56 0.00 -0.13 -4.95 121.76 127.80 3jty s ALA 117 Ca 0.06 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.57 3jty s ALA 117 Cb -0.26 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.21 3jty s ALA 117 CO -0.00 -2.84 0.93 -0.44 0.00 0.00 0.00 175.76 173.40 3jty h ASP 118 N -1.93 0.10 -4.98 0.00 3.32 -1.95 -3.42 116.42 107.57 3jty h ASP 118 Ca -0.45 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.44 3jty h ASP 118 Cb 1.27 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.67 3jty h ASP 118 CO 0.43 1.13 0.23 0.54 -1.72 0.00 0.00 179.24 179.85 3jty s ASN 119 N -6.55 -0.54 0.30 6.45 2.20 -1.26 -0.04 114.94 115.49 3jty s ASN 119 Ca -0.04 -0.04 -0.14 0.00 -0.94 0.00 0.00 52.86 51.71 3jty s ASN 119 Cb 0.08 0.59 0.01 0.00 -2.00 0.00 0.00 41.25 39.94 3jty s ASN 119 CO 0.83 -0.97 0.60 0.72 -2.94 0.00 0.00 177.10 175.33 3jty s PHE 120 N -3.72 0.30 -5.00 1.54 -0.12 -0.21 -4.99 117.98 105.78 3jty s PHE 120 Ca 0.02 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 3jty s PHE 120 Cb -0.01 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 3jty s PHE 120 CO -0.12 -1.19 0.00 0.41 -0.05 0.00 0.00 175.22 174.28 3jty n GLY 121 N -0.46 -2.64 3.61 1.99 0.00 -1.26 -1.25 105.19 105.18 3jty n GLY 121 Ca -0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.94 0.53 -0.21 1.61 1.70 -0.04 -4.68 118.95 115.92 3jty s ARG 122 Ca 0.00 -0.25 -0.06 0.00 -0.47 0.00 0.00 55.73 54.95 3jty s ARG 122 Cb 0.00 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 3jty s ARG 122 CO 0.00 -0.24 0.02 -1.17 -1.08 0.00 0.00 175.30 172.83 3jty s LEU 123 N -2.59 3.33 -0.16 -1.89 2.96 -1.26 -1.74 118.68 117.32 3jty s LEU 123 Ca 0.11 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3jty s LEU 123 Cb 0.01 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3jty s LEU 123 CO -0.04 0.04 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.15 3jty s GLY 124 N 1.15 1.66 -0.02 7.98 0.00 0.33 -4.97 107.32 113.45 3jty s GLY 124 Ca 0.03 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.92 3jty s GLY 124 CO 0.02 0.01 -0.23 0.14 0.00 0.00 0.00 173.10 173.04 3jty s VAL 125 N 0.60 1.82 -0.01 1.40 1.01 -1.26 0.21 120.40 124.18 3jty s VAL 125 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3jty s VAL 125 Cb -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3jty s VAL 125 CO 0.03 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.65 3jty s ALA 126 N -0.49 0.04 -0.13 5.51 0.00 0.22 -1.18 121.76 125.73 3jty s ALA 126 Ca 0.08 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 3jty s ALA 126 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3jty s ALA 126 CO -0.00 -0.04 -0.03 -0.06 0.00 0.00 0.00 175.76 175.62 3jty s PHE 127 N 0.44 3.05 0.13 0.00 0.08 0.91 -0.65 117.98 121.93 3jty s PHE 127 Ca -0.04 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 56.95 3jty s PHE 127 Cb -0.05 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3jty s PHE 127 CO -0.01 0.12 -0.19 -1.59 -0.10 0.00 0.00 175.22 173.45 3jty s LYS 128 N -0.04 1.15 -0.01 0.44 -2.85 -0.74 -0.39 119.74 117.30 3jty s LYS 128 Ca 0.02 -1.25 -0.01 0.00 -1.00 0.00 0.00 55.97 53.73 3jty s LYS 128 Cb -0.13 -1.27 0.00 0.00 -2.06 0.00 0.00 37.83 34.37 3jty s LYS 128 CO 0.02 0.28 0.03 0.00 0.10 0.00 0.00 175.35 175.78 3jty s ALA 129 N -1.62 -0.06 -0.07 0.59 0.00 -0.41 -1.69 121.76 118.50 3jty s ALA 129 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3jty s ALA 129 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3jty s ALA 129 CO 0.05 -0.04 -0.20 0.50 0.00 0.00 0.00 175.76 176.07 3jty s ARG 130 N -0.22 2.38 -0.13 0.00 3.52 0.96 -1.08 118.95 124.38 3jty s ARG 130 Ca -0.03 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.83 3jty s ARG 130 Cb -0.02 -1.91 0.05 0.00 -1.56 0.00 0.00 34.95 31.51 3jty s ARG 130 CO -0.00 0.19 0.06 -1.17 -0.81 0.00 0.00 175.30 173.56 3jty s LEU 131 N 0.28 0.51 0.00 -0.88 2.96 -0.87 -1.28 118.68 119.40 3jty s LEU 131 Ca -0.12 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3jty s LEU 131 Cb -0.15 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.21 3jty s LEU 131 CO 0.05 -0.29 0.00 -0.24 -1.32 0.00 0.00 176.35 174.55 3jty n SER 132 N 5.21 0.00 -2.07 3.68 2.88 -1.26 -2.30 113.62 119.77 3jty n SER 132 Ca -0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.34 3jty n SER 132 Cb 0.49 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.00 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 2.73 -3.67 -1.46 1.13 -1.26 -5.02 117.38 109.82 3jty n GLN 133 Ca 0.00 -3.80 -0.25 0.00 -1.94 0.00 0.00 57.00 51.01 3jty n GLN 133 Cb 0.00 -1.92 -0.17 0.00 0.11 0.00 0.00 30.24 28.26 3jty n GLN 133 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3jty s THR 134 N -4.03 0.15 -0.14 5.09 2.01 -0.97 -0.32 115.64 117.42 3jty s THR 134 Ca 0.42 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 3jty s THR 134 Cb 0.38 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3jty s THR 134 CO -0.00 -0.13 0.09 -1.61 -0.69 0.00 0.00 174.62 172.28 3jty s GLU 135 N 2.04 3.57 -0.00 4.92 2.02 0.61 -2.04 118.70 129.82 3jty s GLU 135 Ca 0.02 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.80 3jty s GLU 135 Cb -0.15 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3jty s GLU 135 CO -0.07 0.59 -0.11 0.08 0.02 0.00 0.00 175.26 175.76 3jty s VAL 136 N -0.50 3.30 -0.03 2.63 1.01 -0.25 -0.20 120.40 126.38 3jty s VAL 136 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3jty s VAL 136 Cb -0.12 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.90 3jty s VAL 136 CO 0.02 0.44 0.01 -0.75 0.00 0.00 0.00 175.10 174.82 3jty s LYS 137 N -1.22 0.22 -0.01 2.72 2.20 -0.17 -1.29 119.74 122.19 3jty s LYS 137 Ca 0.15 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 3jty s LYS 137 Cb -0.11 -0.42 -0.00 0.00 -1.51 0.00 0.00 37.83 35.78 3jty s LYS 137 CO 0.05 -0.14 -0.09 0.08 -0.36 0.00 0.00 175.35 174.89 3jty s VAL 138 N 1.03 0.74 -0.49 4.02 1.01 0.47 -0.95 120.40 126.23 3jty s VAL 138 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3jty s VAL 138 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3jty s VAL 138 CO -0.02 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3jty n GLY 139 N 3.02 0.23 3.67 4.51 0.00 0.08 -0.06 105.19 116.63 3jty n GLY 139 Ca -0.15 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.56 3.34 0.07 1.61 2.12 -0.32 -0.65 118.70 124.30 3jty s GLU 140 Ca 0.00 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 3jty s GLU 140 Cb 0.00 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.46 3jty s GLU 140 CO 0.00 0.56 0.17 -2.67 -0.54 0.00 0.00 175.26 172.78 3jty n TRP 141 N 2.60 -1.11 -3.51 5.30 2.14 -0.50 -3.89 117.44 118.46 3jty n TRP 141 Ca -0.18 -0.33 -0.42 0.00 2.07 0.00 0.00 57.50 58.64 3jty n TRP 141 Cb 0.53 0.16 -0.06 0.00 -0.81 0.00 0.00 31.31 31.14 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 -2.02 3.00 0.39 -2.67 -2.45 -1.26 -0.70 119.30 113.59 3jty s MET 142 Ca 0.04 -2.34 -0.26 0.00 -1.25 0.00 0.00 55.69 51.88 3jty s MET 142 Cb -0.01 -4.08 -0.09 0.00 1.25 0.00 0.00 34.83 31.91 3jty s MET 142 CO 0.02 -1.23 1.18 -1.25 1.05 0.00 0.00 175.02 174.78 3jty s PRO 143 N 0.34 4.09 -0.47 4.11 0.04 -1.26 -4.93 135.00 136.92 3jty s PRO 143 Ca 0.15 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.13 3jty s PRO 143 Cb -0.17 -2.71 0.28 0.00 0.04 0.00 0.00 34.50 31.93 3jty s PRO 143 CO -0.05 -0.29 0.66 1.33 0.04 0.00 0.00 177.00 178.68 3jty n VAL 144 N 0.15 0.55 -4.11 -0.36 0.24 -1.25 -0.61 118.33 112.94 3jty n VAL 144 Ca 0.04 -4.57 -0.32 0.00 -2.04 0.00 0.00 64.34 57.45 3jty n VAL 144 Cb 0.46 -1.65 -0.07 0.00 -1.47 0.00 0.00 33.84 31.11 3jty n VAL 144 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3jty s LEU 145 N -1.95 3.76 0.49 1.34 1.43 0.08 -4.89 118.68 118.94 3jty s LEU 145 Ca 0.38 0.03 0.20 0.00 -1.03 0.00 0.00 54.13 53.72 3jty s LEU 145 Cb 0.21 -2.32 1.24 0.00 0.03 0.00 0.00 46.19 45.35 3jty s LEU 145 CO -0.08 0.22 1.99 -0.65 0.23 0.00 0.00 176.35 178.06 3jty h PRO 146 N 3.75 0.16 -0.49 1.29 0.11 -2.00 0.99 132.00 135.81 3jty h PRO 146 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jty h PRO 146 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3jty h PRO 146 CO 0.63 0.11 0.00 0.44 -0.21 0.00 0.00 178.00 178.96 3jty n ILE 147 N -4.43 0.80 -2.85 4.15 -6.64 -1.26 -4.64 119.36 104.49 3jty n ILE 147 Ca 0.10 -0.90 -0.03 0.00 -1.77 0.00 0.00 62.75 60.15 3jty n ILE 147 Cb 0.50 0.68 0.01 0.00 -1.44 0.00 0.00 39.64 39.39 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 -1.13 -1.46 -0.50 7.28 2.96 0.27 -4.79 118.68 121.31 3jty s LEU 148 Ca 0.37 -1.55 -0.19 0.00 -0.22 0.00 0.00 54.13 52.54 3jty s LEU 148 Cb 0.20 1.91 0.06 0.00 0.50 0.00 0.00 46.19 48.86 3jty s LEU 148 CO 0.27 -0.07 0.60 -0.60 -1.32 0.00 0.00 176.35 175.23 3jty s ARG 149 N 1.06 3.11 0.24 1.98 3.52 -0.76 -0.74 118.95 127.36 3jty s ARG 149 Ca 0.27 -0.92 -0.31 0.00 -0.13 0.00 0.00 55.73 54.65 3jty s ARG 149 Cb -0.01 -4.10 -0.11 0.00 -1.56 0.00 0.00 34.95 29.18 3jty s ARG 149 CO -0.05 -1.20 1.59 -1.12 -0.81 0.00 0.00 175.30 173.71 3jty s SER 150 N 2.66 6.47 0.03 -2.12 0.01 0.22 -1.29 113.70 119.68 3jty s SER 150 Ca 0.14 2.81 -0.28 0.00 1.31 0.00 0.00 55.95 59.93 3jty s SER 150 Cb -0.19 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.38 3jty s SER 150 CO 0.12 -0.87 0.89 -0.62 0.41 0.00 0.00 173.24 173.16 3jty s ASP 151 N 0.78 7.31 -0.37 2.44 2.15 -1.26 -4.66 116.67 123.05 3jty s ASP 151 Ca 0.67 1.57 0.12 0.00 0.43 0.00 0.00 52.55 55.34 3jty s ASP 151 Cb -0.46 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.07 3jty s ASP 151 CO 0.39 -0.13 1.03 -0.67 -0.17 0.00 0.00 175.17 175.63 3jty n ASP 152 N 3.38 3.01 -1.32 -0.34 2.03 -1.26 -1.33 116.55 120.73 3jty n ASP 152 Ca 0.02 -3.17 0.08 0.00 0.52 0.00 0.00 54.79 52.25 3jty n ASP 152 Cb 0.50 -0.49 0.31 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 -0.29 3.06 0.00 0.27 0.00 -1.26 -4.96 105.19 102.02 3jty n GLY 153 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.62 0.60 0.01 1.61 5.12 -1.26 -5.05 116.66 118.31 3jty n ARG 154 Ca 0.23 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.05 3jty n ARG 154 Cb 0.85 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 32.07 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 -0.11 -4.26 0.55 0.02 -1.82 -3.47 113.55 104.47 3jty h SER 155 Ca 0.00 -0.46 -0.63 0.00 -0.84 0.00 0.00 61.79 59.86 3jty h SER 155 Cb 0.00 0.03 -0.26 0.00 0.14 0.00 0.00 62.40 62.31 3jty h SER 155 CO 0.00 0.54 -0.86 -0.76 -1.14 0.00 0.00 176.83 174.61 3jty s LEU 156 N -8.75 2.18 0.74 5.07 1.43 -1.26 -4.85 118.68 113.24 3jty s LEU 156 Ca -0.12 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 3jty s LEU 156 Cb -0.00 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.14 3jty s LEU 156 CO 0.46 0.20 1.14 -2.16 0.23 0.00 0.00 176.35 176.22 3jty s PRO 157 N -1.30 2.24 0.25 1.29 0.04 -1.26 -4.62 135.00 131.63 3jty s PRO 157 Ca 0.10 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 3jty s PRO 157 Cb -0.09 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3jty s PRO 157 CO 0.02 -1.70 1.08 -1.14 0.04 0.00 0.00 177.00 175.30 3jty s GLN 158 N -4.24 4.66 0.21 4.56 0.74 -0.44 -4.64 119.66 120.51 3jty s GLN 158 Ca 0.68 1.74 0.06 0.00 0.05 0.00 0.00 55.36 57.90 3jty s GLN 158 Cb -0.23 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 3jty s GLN 158 CO 0.47 0.23 -0.10 0.95 -0.55 0.00 0.00 175.29 176.29 3jty s THR 159 N -0.95 1.54 0.14 -0.34 -4.23 -1.06 -4.61 115.64 106.13 3jty s THR 159 Ca 0.45 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 3jty s THR 159 Cb -0.30 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 3jty s THR 159 CO 0.38 -0.54 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.40 3jty s PHE 160 N -3.09 1.60 -0.10 3.99 0.08 0.12 -1.63 117.98 118.94 3jty s PHE 160 Ca 0.23 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3jty s PHE 160 Cb 0.01 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3jty s PHE 160 CO 0.07 0.22 -0.04 -0.98 -0.10 0.00 0.00 175.22 174.39 3jty s ARG 161 N -2.66 3.15 0.00 0.44 1.70 -0.63 -1.41 118.95 119.53 3jty s ARG 161 Ca 0.11 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 3jty s ARG 161 Cb -0.06 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.57 3jty s ARG 161 CO 0.05 0.52 0.00 0.41 -1.08 0.00 0.00 175.30 175.19 3jty n GLY 162 N 2.69 -0.61 3.02 3.88 0.00 0.17 -1.04 105.19 113.30 3jty n GLY 162 Ca -0.18 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.41 -0.07 -0.02 0.00 -0.05 -0.74 107.32 106.84 3jty s GLY 163 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 3jty s GLY 163 CO 0.00 -0.63 0.24 1.62 0.00 0.00 0.00 173.10 174.33 3jty s GLN 164 N -1.18 0.34 -0.07 2.90 0.74 -0.13 -1.68 119.66 120.59 3jty s GLN 164 Ca -0.07 0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.57 3jty s GLN 164 Cb -0.08 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.17 3jty s GLN 164 CO 0.00 -0.06 -0.13 -1.50 -0.55 0.00 0.00 175.29 173.05 3jty s ILE 165 N -0.17 3.15 -0.07 -2.34 2.07 0.87 -1.00 121.20 123.71 3jty s ILE 165 Ca -0.03 -0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 58.52 3jty s ILE 165 Cb -0.03 -2.26 0.03 0.00 0.13 0.00 0.00 42.46 40.33 3jty s ILE 165 CO 0.01 0.57 0.00 -0.89 -1.91 0.00 0.00 174.94 172.72 3jty s THR 166 N -0.47 0.36 -0.12 4.00 2.01 0.72 -2.15 115.64 120.00 3jty s THR 166 Ca 0.06 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.19 3jty s THR 166 Cb -0.12 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.89 3jty s THR 166 CO 0.02 0.25 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.53 3jty s SER 167 N 1.92 2.38 -0.37 3.53 0.15 -0.36 -0.28 113.70 120.68 3jty s SER 167 Ca 0.04 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.35 3jty s SER 167 Cb -0.12 -1.02 0.47 0.00 -1.71 0.00 0.00 66.02 63.64 3jty s SER 167 CO -0.05 -0.05 1.43 2.29 1.20 0.00 0.00 173.24 178.06 3jty n LYS 168 N 4.61 2.90 -0.25 5.44 2.85 0.56 -0.94 118.16 133.32 3jty n LYS 168 Ca -0.16 -3.72 -0.07 0.00 -1.05 0.00 0.00 58.31 53.31 3jty n LYS 168 Cb 0.50 -2.14 0.05 0.00 -0.65 0.00 0.00 35.03 32.79 3jty n LYS 168 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3jty h GLU 169 N 1.80 1.09 -5.98 -1.58 5.08 -1.78 -3.42 114.58 109.80 3jty h GLU 169 Ca 0.37 -0.23 -0.59 0.00 -1.00 0.00 0.00 59.36 57.90 3jty h GLU 169 Cb 1.39 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 3jty h GLU 169 CO 0.81 0.94 -0.16 0.42 -1.00 0.00 0.00 179.01 180.02 3jty s ILE 170 N -5.41 5.02 -0.26 3.13 1.09 -1.26 -5.05 121.20 118.46 3jty s ILE 170 Ca -0.12 0.93 -0.38 0.00 -1.10 0.00 0.00 60.65 59.98 3jty s ILE 170 Cb 0.14 -3.77 -0.14 0.00 -1.06 0.00 0.00 42.46 37.64 3jty s ILE 170 CO 0.83 0.51 1.90 0.00 -0.10 0.00 0.00 174.94 178.08 3jty n ALA 171 N 2.27 0.38 -0.08 9.38 0.00 -1.26 -2.36 120.51 128.85 3jty n ALA 171 Ca -0.12 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3jty n ALA 171 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3jty n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jty n GLY 172 N 4.88 1.79 3.23 0.00 0.00 -1.26 -4.97 105.19 108.87 3jty n GLY 172 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 3.96 -0.19 0.99 2.96 -0.99 -0.24 118.68 125.16 3jty s LEU 173 Ca 0.00 -1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 52.62 3jty s LEU 173 Cb 0.00 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3jty s LEU 173 CO 0.00 -0.26 0.43 -0.89 -1.32 0.00 0.00 176.35 174.31 3jty s THR 174 N 1.34 5.18 -0.13 3.68 2.01 -0.48 -4.37 115.64 122.87 3jty s THR 174 Ca -0.03 0.79 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 3jty s THR 174 Cb -0.19 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3jty s THR 174 CO 0.00 0.24 0.02 -0.76 -0.69 0.00 0.00 174.62 173.44 3jty s LEU 175 N 1.30 3.66 0.01 4.42 1.43 -0.12 -1.50 118.68 127.89 3jty s LEU 175 Ca 0.21 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3jty s LEU 175 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3jty s LEU 175 CO 0.08 0.29 -0.25 -0.31 0.23 0.00 0.00 176.35 176.40 3jty s TYR 176 N -0.34 2.18 -0.22 0.29 2.02 0.77 -1.22 117.35 120.83 3jty s TYR 176 Ca 0.08 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 3jty s TYR 176 Cb -0.12 -1.36 0.06 0.00 -0.40 0.00 0.00 41.96 40.14 3jty s TYR 176 CO 0.02 0.03 0.65 0.20 -1.57 0.00 0.00 175.55 174.88 3jty s GLY 177 N -0.86 -0.50 0.00 0.71 0.00 -0.92 -0.89 107.32 104.87 3jty s GLY 177 Ca 0.10 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.58 3jty s GLY 177 CO 0.00 1.50 0.00 0.61 0.00 0.00 0.00 173.10 175.21 3jty n GLY 178 N 2.49 -1.45 3.08 0.20 0.00 -0.96 -0.09 105.19 108.47 3jty n GLY 178 Ca -0.15 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 3jty n GLY 178 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3jty s GLN 179 N -1.87 0.49 -0.09 1.61 -2.07 -0.68 -1.77 119.66 115.29 3jty s GLN 179 Ca 0.00 -0.61 0.02 0.00 -1.82 0.00 0.00 55.36 52.95 3jty s GLN 179 Cb 0.00 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 3jty s GLN 179 CO 0.00 -0.11 -0.15 -0.06 -1.32 0.00 0.00 175.29 173.65 3jty s PHE 180 N -1.98 2.72 -1.54 9.60 0.08 -0.63 -0.87 117.98 125.36 3jty s PHE 180 Ca -0.10 -0.43 0.17 0.00 0.12 0.00 0.00 56.93 56.70 3jty s PHE 180 Cb -0.05 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3jty s PHE 180 CO -0.02 -0.03 0.89 0.54 -0.10 0.00 0.00 175.22 176.51 3jty n ARG 181 N 2.90 1.58 -3.52 0.44 1.74 -0.21 -1.36 116.66 118.22 3jty n ARG 181 Ca -0.18 -0.80 -0.11 0.00 -0.77 0.00 0.00 57.85 56.00 3jty n ARG 181 Cb 0.52 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.06 -1.83 -0.04 7.54 0.00 -1.21 -4.74 121.76 119.43 3jty s ALA 182 Ca 0.14 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 3jty s ALA 182 Cb 0.14 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3jty s ALA 182 CO 0.46 -0.55 -0.00 1.21 0.00 0.00 0.00 175.76 176.88 3jty s ASN 183 N -1.96 0.76 -0.41 0.00 2.47 -0.36 -1.61 114.94 113.84 3jty s ASN 183 Ca 0.01 -0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.26 3jty s ASN 183 Cb -0.01 -0.28 0.11 0.00 -1.45 0.00 0.00 41.25 39.62 3jty s ASN 183 CO -0.04 -0.12 0.16 -0.55 -3.72 0.00 0.00 177.10 172.83 3jty s SER 184 N 1.26 4.85 1.25 -4.21 0.15 -0.64 -2.10 113.70 114.27 3jty s SER 184 Ca -0.06 -2.34 -0.17 0.00 0.70 0.00 0.00 55.95 54.08 3jty s SER 184 Cb -0.13 -1.70 0.28 0.00 -1.71 0.00 0.00 66.02 62.76 3jty s SER 184 CO -0.02 -0.39 0.72 -2.65 1.20 0.00 0.00 173.24 172.10 3jty n PRO 185 N 4.07 -3.11 0.11 5.44 -0.02 -1.26 -2.56 135.00 137.67 3jty n PRO 185 Ca 0.03 -0.90 0.03 0.00 -2.02 0.00 0.00 63.50 60.64 3jty n PRO 185 Cb 0.40 -1.94 0.42 0.00 -0.02 0.00 0.00 33.50 32.36 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 -2.90 0.28 -0.88 -0.52 0.11 -1.82 -2.92 114.38 105.73 3jty h ARG 186 Ca -0.52 -0.05 -0.55 0.00 0.10 0.00 0.00 59.98 58.97 3jty h ARG 186 Cb 1.29 -0.05 -0.29 0.00 1.11 0.00 0.00 29.97 32.04 3jty h ARG 186 CO 0.37 0.34 0.47 -0.40 0.10 0.00 0.00 179.97 180.85 3jty n ASP 187 N -4.34 5.47 -3.69 0.08 5.75 -1.26 -4.44 116.55 114.12 3jty n ASP 187 Ca -0.00 -3.74 -0.10 0.00 -0.01 0.00 0.00 54.79 50.94 3jty n ASP 187 Cb 0.21 -0.81 -0.10 0.00 -1.03 0.00 0.00 41.12 39.38 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 -2.00 -0.57 0.41 -1.12 -1.08 -1.10 -3.51 116.67 107.69 3jty s ASP 188 Ca 0.58 0.98 0.22 0.00 -0.52 0.00 0.00 52.55 53.81 3jty s ASP 188 Cb 0.47 0.87 0.72 0.00 -1.46 0.00 0.00 42.92 43.53 3jty s ASP 188 CO 0.03 -0.20 1.74 0.28 0.52 0.00 0.00 175.17 177.55 3jty h SER 189 N 6.95 0.00 -1.68 -0.34 0.02 -1.84 -3.40 113.55 113.26 3jty h SER 189 Ca -0.35 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.12 3jty h SER 189 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 3jty h SER 189 CO 0.27 0.27 -0.40 -0.94 -1.14 0.00 0.00 176.83 174.90 3jty s SER 190 N -6.26 5.27 -0.04 3.07 1.04 -1.26 -4.67 113.70 110.85 3jty s SER 190 Ca 0.01 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 55.81 3jty s SER 190 Cb 0.10 -0.80 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 3jty s SER 190 CO 0.66 -0.51 0.21 -0.04 0.98 0.00 0.00 173.24 174.54 3jty s MET 191 N -4.09 3.52 0.00 4.02 -1.94 -1.26 -4.11 119.30 115.44 3jty s MET 191 Ca 0.45 -0.12 -0.28 0.00 -1.71 0.00 0.00 55.69 54.04 3jty s MET 191 Cb -0.05 -3.13 0.10 0.00 2.01 0.00 0.00 34.83 33.75 3jty s MET 191 CO 0.28 0.70 0.83 0.45 -0.01 0.00 0.00 175.02 177.27 3jty s SER 192 N -1.48 -0.43 0.72 3.03 0.15 -0.89 -4.92 113.70 109.88 3jty s SER 192 Ca 0.23 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.86 3jty s SER 192 Cb -0.13 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 3jty s SER 192 CO 0.12 -0.65 1.14 -1.81 1.20 0.00 0.00 173.24 173.24 3jty s ASP 193 N -2.23 4.53 0.29 5.45 1.01 -1.26 -1.22 116.67 123.24 3jty s ASP 193 Ca 0.02 2.09 -0.15 0.00 0.71 0.00 0.00 52.55 55.22 3jty s ASP 193 Cb -0.01 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 3jty s ASP 193 CO -0.07 -2.03 0.71 -0.04 0.21 0.00 0.00 175.17 173.96 3jty s MET 194 N -4.23 4.03 0.31 8.23 -1.94 -0.10 -4.79 119.30 120.81 3jty s MET 194 Ca 0.68 0.66 0.04 0.00 -1.71 0.00 0.00 55.69 55.37 3jty s MET 194 Cb -0.23 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.04 3jty s MET 194 CO 0.47 0.22 0.19 -1.54 -0.01 0.00 0.00 175.02 174.35 3jty s SER 195 N -2.16 1.53 -0.09 3.03 1.04 -1.26 -0.25 113.70 115.54 3jty s SER 195 Ca 0.51 -1.62 -0.18 0.00 0.48 0.00 0.00 55.95 55.14 3jty s SER 195 Cb -0.11 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3jty s SER 195 CO 0.18 -0.95 0.48 -0.32 0.98 0.00 0.00 173.24 173.62 3jty s MET 196 N -3.72 4.29 -0.34 4.02 1.75 -1.26 -0.49 119.30 123.54 3jty s MET 196 Ca 0.37 0.48 -0.44 0.00 -1.25 0.00 0.00 55.69 54.85 3jty s MET 196 Cb 0.04 -3.40 -0.18 0.00 2.84 0.00 0.00 34.83 34.13 3jty s MET 196 CO 0.20 0.25 1.57 0.34 -0.65 0.00 0.00 175.02 176.74 3jty n PHE 197 N 3.32 1.72 -0.80 4.11 -0.00 -0.17 -0.54 117.46 125.10 3jty n PHE 197 Ca -0.08 0.92 0.00 0.00 -0.00 0.00 0.00 57.45 58.29 3jty n PHE 197 Cb 0.52 -2.29 0.00 0.00 -0.00 0.00 0.00 39.48 37.70 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 3.71 0.67 2.21 7.13 0.00 -1.26 -4.90 105.19 112.75 3jty n GLY 198 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.62 0.87 0.20 1.61 5.02 0.30 -4.99 118.16 118.55 3jty n LYS 199 Ca 0.00 -3.33 0.09 0.00 -2.02 0.00 0.00 58.31 53.05 3jty n LYS 199 Cb 0.00 -1.36 0.25 0.00 -0.02 0.00 0.00 35.03 33.90 3jty n LYS 199 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jty h ALA 200 N 3.80 0.90 0.00 7.82 0.00 -1.92 -3.10 119.26 126.77 3jty h ALA 200 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3jty h ALA 200 Cb 0.88 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3jty h ALA 200 CO 0.49 0.25 -0.04 0.00 0.00 0.00 0.00 179.25 179.95 3jty h ALA 201 N 1.80 1.89 -3.04 0.00 0.00 -1.94 -3.42 119.26 114.55 3jty h ALA 201 Ca -0.00 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 3jty h ALA 201 Cb 1.01 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.55 3jty h ALA 201 CO 0.03 0.05 -0.66 -0.06 0.00 0.00 0.00 179.25 178.61 3jty s PHE 202 N -4.93 3.04 0.31 0.00 0.08 -1.17 -5.08 117.98 110.23 3jty s PHE 202 Ca -0.05 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.54 3jty s PHE 202 Cb 0.17 -2.14 -0.06 0.00 -0.57 0.00 0.00 43.02 40.41 3jty s PHE 202 CO 0.66 -0.34 -0.05 0.95 -0.10 0.00 0.00 175.22 176.35 3jty s THR 203 N 1.30 1.77 0.07 0.64 -4.23 -1.26 -4.30 115.64 109.63 3jty s THR 203 Ca 0.04 -2.12 -0.19 0.00 -1.18 0.00 0.00 61.69 58.24 3jty s THR 203 Cb -0.15 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.15 3jty s THR 203 CO 0.01 -0.22 0.44 -0.55 -0.54 0.00 0.00 174.62 173.76 3jty s SER 204 N -3.51 -0.31 -0.08 3.99 0.15 0.65 -4.98 113.70 109.61 3jty s SER 204 Ca 0.31 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 57.03 3jty s SER 204 Cb 0.04 0.46 0.18 0.00 -1.71 0.00 0.00 66.02 64.99 3jty s SER 204 CO 0.14 -0.73 1.09 -0.90 1.20 0.00 0.00 173.24 174.04 3jty n ASP 205 N 0.28 2.22 -3.86 5.45 5.68 -1.26 -0.92 116.55 124.13 3jty n ASP 205 Ca -0.18 -2.66 -0.25 0.00 -0.50 0.00 0.00 54.79 51.21 3jty n ASP 205 Cb 0.61 -0.26 -0.17 0.00 -1.14 0.00 0.00 41.12 40.16 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 -2.13 1.12 -0.32 0.11 1.81 -1.26 -4.18 118.95 114.09 3jty s ARG 206 Ca 0.19 -0.11 0.03 0.00 -1.72 0.00 0.00 55.73 54.12 3jty s ARG 206 Cb 0.17 -1.28 0.10 0.00 -0.45 0.00 0.00 34.95 33.49 3jty s ARG 206 CO 0.02 -0.25 0.05 0.12 -0.68 0.00 0.00 175.30 174.55 3jty s PHE 207 N 1.69 3.19 0.15 -0.53 5.36 -0.47 -0.80 117.98 126.57 3jty s PHE 207 Ca 0.03 -2.61 -0.10 0.00 -0.96 0.00 0.00 56.93 53.29 3jty s PHE 207 Cb -0.13 -2.52 -0.06 0.00 -0.34 0.00 0.00 43.02 39.97 3jty s PHE 207 CO -0.06 -0.92 0.48 -0.80 -1.46 0.00 0.00 175.22 172.47 3jty s ASN 208 N 1.11 6.67 0.01 6.13 -0.87 0.05 -1.60 114.94 126.44 3jty s ASN 208 Ca 0.09 0.89 -0.05 0.00 -1.57 0.00 0.00 52.86 52.21 3jty s ASN 208 Cb -0.19 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.25 38.82 3jty s ASN 208 CO -0.12 0.07 0.08 0.72 -2.57 0.00 0.00 177.10 175.28 3jty s PHE 209 N -1.56 0.13 0.04 2.20 -0.12 -0.73 -0.78 117.98 117.16 3jty s PHE 209 Ca 0.39 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 57.00 3jty s PHE 209 Cb -0.13 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 3jty s PHE 209 CO 0.20 -0.27 -0.10 -0.65 -0.05 0.00 0.00 175.22 174.35 3jty s GLN 210 N -1.58 0.68 0.14 1.99 1.11 -0.13 -2.26 119.66 119.62 3jty s GLN 210 Ca -0.14 -0.71 -0.18 0.00 0.01 0.00 0.00 55.36 54.35 3jty s GLN 210 Cb -0.07 -0.60 0.04 0.00 -1.01 0.00 0.00 33.01 31.37 3jty s GLN 210 CO 0.00 0.14 0.45 0.20 0.01 0.00 0.00 175.29 176.09 3jty s GLY 211 N -1.26 -0.34 -0.17 3.09 0.00 -0.07 -1.57 107.32 107.00 3jty s GLY 211 Ca -0.03 0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 3jty s GLY 211 CO 0.01 -0.21 0.42 0.00 0.00 0.00 0.00 173.10 173.33 3jty s ALA 212 N -3.80 -1.08 -0.06 3.20 0.00 -0.61 -0.17 121.76 119.25 3jty s ALA 212 Ca 0.03 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.48 3jty s ALA 212 Cb 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3jty s ALA 212 CO -0.12 -0.25 -0.12 -1.21 0.00 0.00 0.00 175.76 174.06 3jty s GLU 213 N 1.09 1.58 -0.23 0.00 2.02 -0.56 -1.36 118.70 121.24 3jty s GLU 213 Ca -0.07 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 3jty s GLU 213 Cb -0.07 -1.33 0.02 0.00 0.10 0.00 0.00 34.13 32.85 3jty s GLU 213 CO -0.09 0.06 -0.08 -0.47 0.02 0.00 0.00 175.26 174.70 3jty s TYR 214 N 0.54 3.01 -0.11 1.61 5.04 0.73 -1.38 117.35 126.79 3jty s TYR 214 Ca -0.12 -1.49 -0.05 0.00 -2.44 0.00 0.00 57.07 52.97 3jty s TYR 214 Cb -0.14 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.09 3jty s TYR 214 CO 0.03 -0.72 0.07 0.00 -1.34 0.00 0.00 175.55 173.60 3jty s ALA 215 N 1.34 3.57 0.00 3.97 0.00 0.67 -1.35 121.76 129.96 3jty s ALA 215 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3jty s ALA 215 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3jty s ALA 215 CO -0.06 0.56 0.00 1.97 0.00 0.00 0.00 175.76 178.24 3jty n PHE 216 N 2.20 -0.55 -2.14 0.00 1.16 -0.19 -4.66 117.46 113.28 3jty n PHE 216 Ca -0.19 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.23 3jty n PHE 216 Cb 0.54 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.39 3jty n PHE 216 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3jty n ASN 217 N -1.73 -4.86 -0.64 5.98 4.05 -1.26 -1.98 115.26 114.82 3jty n ASN 217 Ca 0.00 0.07 -0.03 0.00 0.45 0.00 0.00 54.58 55.07 3jty n ASN 217 Cb 0.00 -3.94 0.01 0.00 1.23 0.00 0.00 39.78 37.08 3jty n ASN 217 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3jty n ASP 218 N -1.01 -2.17 -1.28 1.20 3.85 -1.26 -3.82 116.55 112.06 3jty n ASP 218 Ca -0.19 -0.04 -0.12 0.00 -0.71 0.00 0.00 54.79 53.73 3jty n ASP 218 Cb 0.62 -1.08 -0.02 0.00 -1.35 0.00 0.00 41.12 39.29 3jty n ASP 218 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3jty n LYS 219 N -1.16 -0.96 -0.00 0.11 0.00 -0.84 -4.91 118.16 110.40 3jty n LYS 219 Ca -0.01 0.70 0.02 0.00 -0.00 0.00 0.00 58.31 59.02 3jty n LYS 219 Cb 0.51 -4.85 -0.03 0.00 -0.00 0.00 0.00 35.03 30.67 3jty n LYS 219 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3jty n ARG 220 N -2.33 3.15 -4.61 -1.58 -4.01 -1.04 -4.93 116.66 101.31 3jty n ARG 220 Ca -0.14 -0.02 -0.33 0.00 -1.04 0.00 0.00 57.85 56.32 3jty n ARG 220 Cb 0.55 -0.88 -0.16 0.00 -3.04 0.00 0.00 32.46 28.93 3jty n ARG 220 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 3jty s THR 221 N -1.81 2.44 -0.03 8.89 2.01 -1.06 -1.11 115.64 124.96 3jty s THR 221 Ca 0.00 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3jty s THR 221 Cb 0.03 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.54 3jty s THR 221 CO 0.18 0.53 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.98 3jty s GLN 222 N 0.79 0.97 -0.09 4.92 0.74 0.32 -1.02 119.66 126.29 3jty s GLN 222 Ca -0.07 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.12 3jty s GLN 222 Cb -0.15 -0.91 0.01 0.00 1.10 0.00 0.00 33.01 33.06 3jty s GLN 222 CO -0.00 0.04 -0.16 -1.50 -0.55 0.00 0.00 175.29 173.12 3jty s ILE 223 N 0.46 1.50 0.15 -2.34 2.07 -0.45 -1.26 121.20 121.33 3jty s ILE 223 Ca -0.07 -0.67 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 3jty s ILE 223 Cb -0.11 -1.35 -0.05 0.00 0.13 0.00 0.00 42.46 41.08 3jty s ILE 223 CO 0.01 0.44 -0.05 0.00 -1.91 0.00 0.00 174.94 173.43 3jty s ALA 224 N 0.75 1.34 -0.11 1.50 0.00 -0.93 -0.19 121.76 124.11 3jty s ALA 224 Ca -0.12 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.28 3jty s ALA 224 Cb -0.16 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.31 3jty s ALA 224 CO 0.02 -0.22 0.24 -1.17 0.00 0.00 0.00 175.76 174.63 3jty s LEU 225 N -3.15 -0.05 0.04 0.00 2.96 -0.46 -2.38 118.68 115.64 3jty s LEU 225 Ca 0.19 0.52 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 3jty s LEU 225 Cb 0.05 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.34 3jty s LEU 225 CO 0.01 -0.22 -0.20 0.26 -1.32 0.00 0.00 176.35 174.89 3jty s TRP 226 N 2.07 1.71 -0.09 5.38 0.52 0.09 -1.57 118.94 127.04 3jty s TRP 226 Ca -0.01 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 55.76 3jty s TRP 226 Cb -0.12 -1.02 0.01 0.00 -1.15 0.00 0.00 33.47 31.19 3jty s TRP 226 CO -0.08 0.08 -0.17 1.21 0.02 0.00 0.00 176.95 178.00 3jty s ASN 227 N -1.14 2.48 -0.03 2.95 2.47 -0.61 0.11 114.94 121.17 3jty s ASN 227 Ca 0.06 -0.44 0.01 0.00 0.42 0.00 0.00 52.86 52.91 3jty s ASN 227 Cb -0.09 -1.13 0.02 0.00 -1.45 0.00 0.00 41.25 38.61 3jty s ASN 227 CO 0.02 0.07 -0.02 0.00 -3.72 0.00 0.00 177.10 173.45 3jty s ALA 228 N 0.68 0.43 -0.12 1.71 0.00 -0.22 -0.96 121.76 123.28 3jty s ALA 228 Ca -0.13 0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.94 3jty s ALA 228 Cb -0.16 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.64 3jty s ALA 228 CO 0.03 -0.04 -0.16 1.14 0.00 0.00 0.00 175.76 176.73 3jty s GLN 229 N 0.94 2.33 -0.59 0.00 -2.07 0.04 -0.72 119.66 119.59 3jty s GLN 229 Ca -0.10 -0.59 -0.22 0.00 -1.82 0.00 0.00 55.36 52.62 3jty s GLN 229 Cb -0.14 -2.00 0.06 0.00 -1.09 0.00 0.00 33.01 29.84 3jty s GLN 229 CO -0.01 -0.10 0.88 -1.17 -1.32 0.00 0.00 175.29 173.57 3jty s LEU 230 N 1.09 4.46 0.31 2.60 2.96 -0.46 -0.77 118.68 128.86 3jty s LEU 230 Ca -0.04 -0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 52.80 3jty s LEU 230 Cb -0.14 -2.56 -0.12 0.00 0.50 0.00 0.00 46.19 43.86 3jty s LEU 230 CO -0.04 -1.25 1.48 1.17 -1.32 0.00 0.00 176.35 176.39 3jty n LYS 231 N 7.25 2.45 -1.45 1.98 4.81 0.02 -1.61 118.16 131.61 3jty n LYS 231 Ca -0.03 0.87 -0.15 0.00 -0.87 0.00 0.00 58.31 58.12 3jty n LYS 231 Cb 0.46 -2.57 -0.07 0.00 0.02 0.00 0.00 35.03 32.87 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 1.56 -5.54 0.10 3.14 8.00 -1.24 -4.74 116.55 117.84 3jty n ASP 232 Ca 0.07 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3jty n ASP 232 Cb 0.36 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 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 -2.33 0.39 -3.96 0.53 5.41 -0.72 -0.96 119.36 117.72 3jty n ILE 233 Ca -0.15 0.13 -0.08 0.00 1.00 0.00 0.00 62.75 63.64 3jty n ILE 233 Cb 0.62 -0.83 -0.08 0.00 -0.71 0.00 0.00 39.64 38.64 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 -1.90 0.33 -0.02 1.39 -0.85 -0.64 -2.27 117.35 113.40 3jty s TYR 234 Ca 0.00 -0.80 0.06 0.00 -0.52 0.00 0.00 57.07 55.82 3jty s TYR 234 Cb 0.00 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.13 3jty s TYR 234 CO 0.00 -0.50 -0.21 0.45 -1.52 0.00 0.00 175.55 173.76 3jty s SER 235 N -2.90 2.53 -0.05 -0.18 0.15 0.87 -1.35 113.70 112.76 3jty s SER 235 Ca 0.08 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.29 3jty s SER 235 Cb 0.06 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 3jty s SER 235 CO -0.09 0.25 0.14 -1.58 1.20 0.00 0.00 173.24 173.16 3jty s GLN 236 N -0.41 0.16 -0.02 5.44 0.74 0.10 -0.38 119.66 125.28 3jty s GLN 236 Ca 0.06 0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.71 3jty s GLN 236 Cb -0.09 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 3jty s GLN 236 CO -0.00 -0.02 -0.16 -0.65 -0.55 0.00 0.00 175.29 173.90 3jty s GLN 237 N 0.11 1.42 -0.06 1.67 1.11 0.55 -1.05 119.66 123.40 3jty s GLN 237 Ca -0.00 -0.58 0.00 0.00 0.01 0.00 0.00 55.36 54.79 3jty s GLN 237 Cb -0.01 -1.33 0.02 0.00 -1.01 0.00 0.00 33.01 30.68 3jty s GLN 237 CO -0.00 0.32 -0.03 0.12 0.01 0.00 0.00 175.29 175.71 3jty s PHE 238 N -0.27 0.82 -0.08 0.91 5.36 0.12 -1.34 117.98 123.49 3jty s PHE 238 Ca 0.04 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 3jty s PHE 238 Cb -0.08 -0.78 -0.00 0.00 -0.34 0.00 0.00 43.02 41.82 3jty s PHE 238 CO 0.00 -0.27 -0.23 -1.50 -1.46 0.00 0.00 175.22 171.76 3jty s ILE 239 N 1.33 1.94 -0.01 3.12 1.10 0.03 -0.74 121.20 127.98 3jty s ILE 239 Ca -0.04 -0.97 0.03 0.00 -0.51 0.00 0.00 60.65 59.15 3jty s ILE 239 Cb -0.13 -1.67 -0.01 0.00 0.15 0.00 0.00 42.46 40.80 3jty s ILE 239 CO -0.02 0.54 -0.08 0.21 -2.11 0.00 0.00 174.94 173.47 3jty s ASN 240 N 0.19 0.98 -0.08 4.50 2.47 -1.00 -0.31 114.94 121.69 3jty s ASN 240 Ca -0.13 -0.15 -0.03 0.00 0.42 0.00 0.00 52.86 52.97 3jty s ASN 240 Cb -0.16 -0.11 0.04 0.00 -1.45 0.00 0.00 41.25 39.57 3jty s ASN 240 CO 0.06 0.10 0.06 -0.22 -3.72 0.00 0.00 177.10 173.38 3jty s LEU 241 N -0.19 0.31 -0.12 3.21 2.96 -0.25 -2.19 118.68 122.40 3jty s LEU 241 Ca 0.03 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3jty s LEU 241 Cb -0.03 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 3jty s LEU 241 CO -0.00 -0.27 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.00 3jty s ILE 242 N 2.12 3.06 -0.03 6.68 1.01 -0.39 -0.82 121.20 132.83 3jty s ILE 242 Ca 0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 3jty s ILE 242 Cb -0.13 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3jty s ILE 242 CO -0.05 0.53 0.08 -2.28 0.00 0.00 0.00 174.94 173.22 3jty s HIS 243 N 0.25 -0.08 -0.19 3.97 2.46 0.50 -0.52 115.29 121.68 3jty s HIS 243 Ca -0.09 0.21 -0.01 0.00 0.47 0.00 0.00 55.06 55.64 3jty s HIS 243 Cb -0.15 0.01 0.05 0.00 -0.13 0.00 0.00 32.58 32.36 3jty s HIS 243 CO 0.05 -0.05 -0.01 0.45 -2.47 0.00 0.00 174.74 172.71 3jty s SER 244 N 0.14 3.03 -0.37 9.88 0.15 -0.27 -0.12 113.70 126.14 3jty s SER 244 Ca -0.01 -0.81 -0.01 0.00 0.70 0.00 0.00 55.95 55.82 3jty s SER 244 Cb -0.02 -0.82 0.09 0.00 -1.71 0.00 0.00 66.02 63.57 3jty s SER 244 CO -0.00 -0.25 0.12 -1.58 1.20 0.00 0.00 173.24 172.73 3jty s GLN 245 N 1.69 1.97 0.15 5.44 2.00 0.37 -4.84 119.66 126.45 3jty s GLN 245 Ca -0.01 -1.71 -0.34 0.00 -2.00 0.00 0.00 55.36 51.30 3jty s GLN 245 Cb -0.17 -3.40 -0.14 0.00 0.80 0.00 0.00 33.01 30.11 3jty s GLN 245 CO -0.07 -0.94 1.60 -2.30 -0.50 0.00 0.00 175.29 173.07 3jty n PRO 246 N 4.52 2.18 -0.07 1.67 -0.02 -1.26 -0.92 135.00 141.09 3jty n PRO 246 Ca -0.03 0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3jty n PRO 246 Cb 0.42 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 3jty n PRO 246 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3jty n LEU 247 N 3.59 1.64 0.00 2.45 7.94 -0.86 -4.92 117.00 126.84 3jty n LEU 247 Ca 0.17 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 3jty n LEU 247 Cb 0.29 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.61 3jty n LEU 247 CO 0.64 -0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 3jty n GLY 248 N 1.90 -0.90 4.87 -3.96 0.00 -1.26 -4.94 105.19 100.91 3jty n GLY 248 Ca -0.20 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 0.00 -4.76 1.61 8.00 -1.26 -4.97 116.55 115.17 3jty n ASP 249 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 3jty n ASP 249 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.00 2.49 -0.18 1.24 0.52 -1.26 -4.62 118.94 117.14 3jty s TRP 250 Ca 0.00 1.55 -0.04 0.00 0.02 0.00 0.00 56.10 57.63 3jty s TRP 250 Cb 0.00 -3.31 0.06 0.00 -1.15 0.00 0.00 33.47 29.08 3jty s TRP 250 CO 0.00 -1.91 0.08 0.99 0.02 0.00 0.00 176.95 176.13 3jty s THR 251 N -2.01 0.09 -0.15 2.01 2.01 -0.80 -2.02 115.64 114.78 3jty s THR 251 Ca 0.71 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 3jty s THR 251 Cb -0.24 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 3jty s THR 251 CO 0.37 -0.28 0.17 -0.76 -0.69 0.00 0.00 174.62 173.44 3jty s LEU 252 N 2.06 4.31 0.02 4.42 1.43 -0.09 -1.69 118.68 129.13 3jty s LEU 252 Ca 0.01 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.60 3jty s LEU 252 Cb -0.16 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3jty s LEU 252 CO -0.10 0.28 -0.20 -0.83 0.23 0.00 0.00 176.35 175.73 3jty s GLY 253 N -0.31 1.03 -0.08 -3.19 0.00 -1.03 0.14 107.32 103.89 3jty s GLY 253 Ca 0.13 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3jty s GLY 253 CO 0.02 -0.86 -0.10 0.00 0.00 0.00 0.00 173.10 172.17 3jty s ALA 254 N -0.66 1.22 -0.33 3.20 0.00 0.83 -1.31 121.76 124.70 3jty s ALA 254 Ca 0.07 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.65 3jty s ALA 254 Cb -0.08 -0.67 0.09 0.00 0.00 0.00 0.00 23.12 22.47 3jty s ALA 254 CO 0.01 -0.08 0.03 1.21 0.00 0.00 0.00 175.76 176.93 3jty s ASN 255 N 1.04 4.68 -0.11 0.00 3.84 -0.57 -0.37 114.94 123.45 3jty s ASN 255 Ca -0.08 -2.03 -0.02 0.00 0.21 0.00 0.00 52.86 50.95 3jty s ASN 255 Cb -0.15 -1.57 -0.03 0.00 -0.55 0.00 0.00 41.25 38.95 3jty s ASN 255 CO -0.01 -0.36 -0.04 -0.76 -2.79 0.00 0.00 177.10 173.15 3jty s LEU 256 N 0.97 3.31 0.01 3.21 1.43 0.00 -0.00 118.68 127.61 3jty s LEU 256 Ca 0.08 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3jty s LEU 256 Cb -0.19 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3jty s LEU 256 CO -0.09 0.29 0.23 -0.83 0.23 0.00 0.00 176.35 176.19 3jty s GLY 257 N -0.39 -0.05 -0.00 -3.19 0.00 0.41 -1.10 107.32 103.00 3jty s GLY 257 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.82 3jty s GLY 257 CO 0.02 -0.15 -0.02 -0.12 0.00 0.00 0.00 173.10 172.84 3jty s PHE 258 N -1.67 0.20 -0.04 1.90 5.36 0.58 0.11 117.98 124.42 3jty s PHE 258 Ca -0.12 -0.03 0.06 0.00 -0.96 0.00 0.00 56.93 55.88 3jty s PHE 258 Cb -0.05 -0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.46 3jty s PHE 258 CO 0.01 -0.02 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.47 3jty s PHE 259 N 0.08 2.14 -0.11 10.12 0.08 -0.16 -0.79 117.98 129.34 3jty s PHE 259 Ca -0.00 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.52 3jty s PHE 259 Cb -0.02 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 3jty s PHE 259 CO -0.00 -0.14 -0.23 -0.47 -0.10 0.00 0.00 175.22 174.27 3jty s TYR 260 N -0.24 2.60 0.10 0.36 5.04 -0.45 -0.75 117.35 124.01 3jty s TYR 260 Ca 0.01 -1.15 0.05 0.00 -2.44 0.00 0.00 57.07 53.54 3jty s TYR 260 Cb -0.12 -1.75 -0.04 0.00 0.35 0.00 0.00 41.96 40.41 3jty s TYR 260 CO 0.02 -0.48 -0.12 0.20 -1.34 0.00 0.00 175.55 173.82 3jty s GLY 261 N 0.51 0.93 0.35 8.97 0.00 0.11 -0.33 107.32 117.86 3jty s GLY 261 Ca -0.15 -1.20 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 3jty s GLY 261 CO 0.05 -1.26 0.58 -1.59 0.00 0.00 0.00 173.10 170.88 3jty s LYS 262 N -2.58 2.00 0.80 2.90 -2.85 0.49 -1.38 119.74 119.12 3jty s LYS 262 Ca 0.05 -1.63 -0.10 0.00 -1.00 0.00 0.00 55.97 53.29 3jty s LYS 262 Cb -0.05 0.50 0.07 0.00 -2.06 0.00 0.00 37.83 36.30 3jty s LYS 262 CO 0.02 -0.87 1.10 -1.83 0.10 0.00 0.00 175.35 173.87 3jty s GLU 263 N -2.87 2.03 0.01 1.78 1.03 -1.16 -0.09 118.70 119.43 3jty s GLU 263 Ca 0.25 1.25 0.05 0.00 0.03 0.00 0.00 54.97 56.55 3jty s GLU 263 Cb -0.02 -1.87 -0.02 0.00 -0.80 0.00 0.00 34.13 31.43 3jty s GLU 263 CO 0.17 -1.82 -0.15 0.34 -1.33 0.00 0.00 175.26 172.47 3jty s ASP 264 N -3.24 1.77 2.00 0.83 2.15 -0.96 -4.19 116.67 115.03 3jty s ASP 264 Ca 0.62 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.26 3jty s ASP 264 Cb -0.18 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.27 3jty s ASP 264 CO 0.56 0.14 0.00 0.61 -0.17 0.00 0.00 175.17 176.31 3jty n GLY 265 N 2.41 4.08 0.00 2.66 0.00 -1.26 -1.75 105.19 111.33 3jty n GLY 265 Ca -0.16 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 7.32 0.00 -3.65 1.61 3.41 -1.26 -4.91 113.62 116.14 3jty n SER 266 Ca 0.00 -0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 57.71 3jty n SER 266 Cb 0.00 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.07 -2.37 -0.07 7.33 0.00 -0.72 -4.88 120.51 118.74 3jty n ALA 267 Ca 0.18 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3jty n ALA 267 Cb 0.11 -3.63 0.51 0.00 0.00 0.00 0.00 19.45 16.45 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 -1.77 0.36 -0.45 0.00 3.08 -1.31 -0.81 114.38 113.49 3jty h ARG 268 Ca -0.64 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3jty h ARG 268 Cb 1.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3jty h ARG 268 CO 0.51 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 3jty n ALA 269 N -2.53 2.43 0.00 0.04 0.00 -1.26 -4.93 120.51 114.26 3jty n ALA 269 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3jty n ALA 269 Cb 0.38 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.42 -0.22 3.76 0.00 0.00 -0.31 -4.94 105.19 104.91 3jty n GLY 270 Ca 0.19 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.31 7.23 -0.12 1.61 1.01 -1.26 -4.78 116.67 119.06 3jty s ASP 271 Ca 0.00 2.19 -0.12 0.00 0.71 0.00 0.00 52.55 55.33 3jty s ASP 271 Cb 0.00 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.34 3jty s ASP 271 CO 0.00 -0.16 0.34 -0.04 0.21 0.00 0.00 175.17 175.52 3jty s MET 272 N -1.58 0.43 -0.12 8.23 -1.94 -1.26 -4.97 119.30 118.09 3jty s MET 272 Ca 0.46 0.42 -0.04 0.00 -1.71 0.00 0.00 55.69 54.82 3jty s MET 272 Cb -0.30 0.21 0.06 0.00 2.01 0.00 0.00 34.83 36.81 3jty s MET 272 CO 0.38 -0.06 0.23 -2.00 -0.01 0.00 0.00 175.02 173.56 3jty s GLU 273 N 0.05 0.11 -0.02 2.03 2.12 -1.26 -2.96 118.70 118.76 3jty s GLU 273 Ca -0.01 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.05 3jty s GLU 273 Cb -0.03 -0.10 -0.00 0.00 0.26 0.00 0.00 34.13 34.25 3jty s GLU 273 CO 0.01 -0.29 -0.13 1.21 -0.54 0.00 0.00 175.26 175.52 3jty s ASN 274 N 2.38 1.63 -0.01 -1.70 2.47 -0.48 -2.07 114.94 117.16 3jty s ASN 274 Ca 0.02 -0.26 0.08 0.00 0.42 0.00 0.00 52.86 53.12 3jty s ASN 274 Cb -0.12 -0.33 -0.02 0.00 -1.45 0.00 0.00 41.25 39.33 3jty s ASN 274 CO -0.08 0.13 -0.24 -0.13 -3.72 0.00 0.00 177.10 173.06 3jty s ARG 275 N -0.07 1.92 -0.10 0.43 0.52 -0.96 0.08 118.95 120.77 3jty s ARG 275 Ca 0.00 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 3jty s ARG 275 Cb -0.08 -1.89 0.05 0.00 0.52 0.00 0.00 34.95 33.55 3jty s ARG 275 CO 0.00 0.51 0.19 0.99 0.02 0.00 0.00 175.30 177.02 3jty s THR 276 N -0.61 -0.28 -0.17 0.02 2.01 0.07 -1.57 115.64 115.11 3jty s THR 276 Ca 0.10 0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 3jty s THR 276 Cb -0.09 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 3jty s THR 276 CO -0.00 0.13 0.18 0.26 -0.69 0.00 0.00 174.62 174.50 3jty s TRP 277 N 2.22 3.47 -0.03 4.92 0.51 -0.30 -0.98 118.94 128.75 3jty s TRP 277 Ca 0.01 0.45 0.01 0.00 -2.12 0.00 0.00 56.10 54.46 3jty s TRP 277 Cb -0.12 -2.15 0.01 0.00 -0.81 0.00 0.00 33.47 30.40 3jty s TRP 277 CO -0.07 0.39 -0.05 0.45 -0.51 0.00 0.00 176.95 177.17 3jty s SER 278 N 0.03 0.79 -0.07 2.95 0.15 0.30 -2.10 113.70 115.75 3jty s SER 278 Ca 0.12 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 3jty s SER 278 Cb -0.12 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3jty s SER 278 CO 0.01 -0.01 0.03 -0.83 1.20 0.00 0.00 173.24 173.65 3jty s GLY 279 N 0.51 0.37 -0.28 9.45 0.00 -0.14 0.15 107.32 117.39 3jty s GLY 279 Ca -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.63 3jty s GLY 279 CO -0.00 1.29 -0.06 -2.27 0.00 0.00 0.00 173.10 172.06 3jty s LEU 280 N 2.06 3.64 -0.16 0.66 2.96 1.00 -0.83 118.68 128.00 3jty s LEU 280 Ca 0.05 -1.32 -0.05 0.00 -0.22 0.00 0.00 54.13 52.58 3jty s LEU 280 Cb -0.13 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3jty s LEU 280 CO -0.05 -0.22 0.01 -0.36 -1.32 0.00 0.00 176.35 174.41 3jty s PHE 281 N 1.18 3.13 0.21 5.38 0.08 -0.54 -1.51 117.98 125.91 3jty s PHE 281 Ca -0.07 -0.10 0.07 0.00 0.12 0.00 0.00 56.93 56.95 3jty s PHE 281 Cb -0.20 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3jty s PHE 281 CO -0.03 0.09 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.52 3jty s SER 282 N 0.25 2.47 -0.31 1.36 1.04 -0.43 0.67 113.70 118.76 3jty s SER 282 Ca 0.00 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.39 3jty s SER 282 Cb -0.13 -0.12 0.16 0.00 0.10 0.00 0.00 66.02 66.03 3jty s SER 282 CO 0.02 -0.24 0.40 0.00 0.98 0.00 0.00 173.24 174.40 3jty s ALA 283 N -3.05 -1.01 -0.18 5.32 0.00 0.27 -2.46 121.76 120.66 3jty s ALA 283 Ca 0.23 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 3jty s ALA 283 Cb 0.01 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3jty s ALA 283 CO 0.07 -1.85 0.42 0.21 0.00 0.00 0.00 175.76 174.61 3jty s LYS 284 N 2.27 4.22 -0.24 0.00 2.20 -0.68 -1.88 119.74 125.64 3jty s LYS 284 Ca 0.11 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.97 3jty s LYS 284 Cb -0.13 -3.50 0.11 0.00 -1.51 0.00 0.00 37.83 32.80 3jty s LYS 284 CO -0.24 0.03 0.24 -0.47 -0.36 0.00 0.00 175.35 174.54 3jty s TYR 285 N 1.09 -0.28 0.00 4.03 5.04 0.08 -1.90 117.35 125.41 3jty s TYR 285 Ca 0.21 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 3jty s TYR 285 Cb -0.15 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.72 3jty s TYR 285 CO 0.08 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.97 3jty n GLY 286 N 5.31 2.39 0.14 8.97 0.00 -1.26 -0.70 105.19 120.04 3jty n GLY 286 Ca -0.04 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.70 3.80 -0.02 0.00 -1.26 -4.90 105.19 102.11 3jty n GLY 287 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 7.18 -0.16 1.61 0.01 0.12 -1.47 114.94 120.24 3jty s ASN 288 Ca 0.45 1.41 -0.02 0.00 -0.71 0.00 0.00 52.86 53.98 3jty s ASN 288 Cb 0.22 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.51 3jty s ASN 288 CO 0.36 0.25 0.02 -0.89 -1.51 0.00 0.00 177.10 175.32 3jty s THR 289 N -1.14 0.53 -0.03 1.60 2.01 -0.72 -0.74 115.64 117.15 3jty s THR 289 Ca 0.32 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 3jty s THR 289 Cb -0.21 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 3jty s THR 289 CO 0.22 -0.05 0.23 -0.36 -0.69 0.00 0.00 174.62 173.97 3jty s PHE 290 N 1.87 3.59 0.02 4.92 0.08 -0.78 -0.58 117.98 127.10 3jty s PHE 290 Ca 0.01 0.56 0.04 0.00 0.12 0.00 0.00 56.93 57.66 3jty s PHE 290 Cb -0.16 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3jty s PHE 290 CO -0.07 0.65 -0.13 0.71 -0.10 0.00 0.00 175.22 176.29 3jty s TYR 291 N -1.21 1.12 -0.21 0.36 2.02 0.19 -0.56 117.35 119.06 3jty s TYR 291 Ca 0.24 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3jty s TYR 291 Cb -0.13 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3jty s TYR 291 CO 0.13 0.00 -0.14 0.08 -1.57 0.00 0.00 175.55 174.06 3jty s VAL 292 N -0.59 2.39 -0.16 0.71 1.01 0.21 -1.46 120.40 122.52 3jty s VAL 292 Ca 0.03 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 3jty s VAL 292 Cb -0.06 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3jty s VAL 292 CO 0.00 0.37 0.20 -0.83 0.00 0.00 0.00 175.10 174.84 3jty s GLY 293 N 1.29 2.15 -0.04 4.51 0.00 -0.48 -1.46 107.32 113.28 3jty s GLY 293 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.18 3jty s GLY 293 CO -0.09 0.09 -0.10 1.08 0.00 0.00 0.00 173.10 174.08 3jty s LEU 294 N -0.06 1.71 -0.01 0.66 1.43 -0.01 -0.66 118.68 121.73 3jty s LEU 294 Ca 0.13 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 3jty s LEU 294 Cb -0.12 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.48 3jty s LEU 294 CO 0.02 0.05 0.34 -1.58 0.23 0.00 0.00 176.35 175.41 3jty s GLN 295 N 0.37 0.71 -0.29 1.70 0.74 -1.03 -0.97 119.66 120.90 3jty s GLN 295 Ca -0.07 -0.20 -0.14 0.00 0.05 0.00 0.00 55.36 55.00 3jty s GLN 295 Cb -0.11 0.32 0.10 0.00 1.10 0.00 0.00 33.01 34.42 3jty s GLN 295 CO 0.01 -0.20 0.71 0.21 -0.55 0.00 0.00 175.29 175.47 3jty s LYS 296 N -1.47 0.63 -0.08 1.67 2.20 -0.89 -1.66 119.74 120.14 3jty s LYS 296 Ca -0.12 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.73 3jty s LYS 296 Cb -0.04 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 3jty s LYS 296 CO 0.04 -0.16 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.26 3jty s LEU 297 N 2.02 2.93 0.32 5.43 1.02 -0.50 -1.15 118.68 128.76 3jty s LEU 297 Ca -0.08 -0.15 0.07 0.00 0.02 0.00 0.00 54.13 53.99 3jty s LEU 297 Cb -0.07 -1.63 -0.06 0.00 0.02 0.00 0.00 46.19 44.45 3jty s LEU 297 CO -0.19 0.31 -0.05 0.42 0.02 0.00 0.00 176.35 176.85 3jty s THR 298 N -0.49 1.83 0.00 5.49 -4.23 -0.61 -3.80 115.64 113.83 3jty s THR 298 Ca 0.07 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3jty s THR 298 Cb -0.12 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.12 3jty s THR 298 CO 0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3jty n GLY 299 N -0.70 -2.61 0.10 3.99 0.00 -1.26 -2.27 105.19 102.44 3jty n GLY 299 Ca -0.05 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 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 0.01 0.57 -4.80 1.61 5.75 -0.88 -4.17 116.55 114.64 3jty n ASP 300 Ca 0.00 0.12 -0.35 0.00 -0.01 0.00 0.00 54.79 54.55 3jty n ASP 300 Cb 0.00 0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 40.48 3jty n ASP 300 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3jty s SER 301 N -5.85 6.89 1.18 -1.12 0.01 -1.19 -4.74 113.70 108.88 3jty s SER 301 Ca -0.12 1.82 -0.14 0.00 1.31 0.00 0.00 55.95 58.82 3jty s SER 301 Cb 0.07 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 64.03 3jty s SER 301 CO 0.80 -0.40 1.03 0.00 0.41 0.00 0.00 173.24 175.08 3jty s ALA 302 N -1.95 -0.29 0.35 1.44 0.00 -1.26 -4.52 121.76 115.53 3jty s ALA 302 Ca 0.60 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 3jty s ALA 302 Cb -0.14 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 3jty s ALA 302 CO 0.19 -3.81 1.52 -0.46 0.00 0.00 0.00 175.76 173.19 3jty s TRP 303 N -2.56 2.64 -0.18 0.00 -0.00 -1.20 -4.77 118.94 112.87 3jty s TRP 303 Ca 0.68 1.06 -0.16 0.00 -0.00 0.00 0.00 56.10 57.68 3jty s TRP 303 Cb -0.22 -4.03 -0.04 0.00 -0.00 0.00 0.00 33.47 29.18 3jty s TRP 303 CO 0.62 -3.16 0.40 -1.64 -0.00 0.00 0.00 176.95 173.17 3jty s MET 304 N -1.64 4.23 0.14 5.86 -1.94 -1.26 -4.96 119.30 119.73 3jty s MET 304 Ca 0.56 0.24 -0.13 0.00 -1.71 0.00 0.00 55.69 54.65 3jty s MET 304 Cb -0.47 -3.49 0.01 0.00 2.01 0.00 0.00 34.83 32.89 3jty s MET 304 CO 0.59 0.05 0.34 -0.98 -0.01 0.00 0.00 175.02 175.02 3jty s ARG 305 N 1.01 1.10 0.47 2.03 1.70 -1.26 -5.06 118.95 118.94 3jty s ARG 305 Ca 0.20 -0.92 -0.21 0.00 -0.47 0.00 0.00 55.73 54.33 3jty s ARG 305 Cb -0.14 0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 34.58 3jty s ARG 305 CO 0.08 -0.42 1.08 0.08 -1.08 0.00 0.00 175.30 175.04 3jty s VAL 306 N -3.87 3.56 0.37 4.99 1.01 -1.26 -1.00 120.40 124.20 3jty s VAL 306 Ca 0.08 1.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 3jty s VAL 306 Cb 0.02 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.83 3jty s VAL 306 CO -0.07 -0.14 1.50 0.54 0.00 0.00 0.00 175.10 176.94 3jty s ASN 307 N -1.76 6.33 0.00 3.32 4.22 0.35 -1.83 114.94 125.57 3jty s ASN 307 Ca 0.66 3.06 0.00 0.00 -2.14 0.00 0.00 52.86 54.43 3jty s ASN 307 Cb -0.21 -2.67 0.00 0.00 1.28 0.00 0.00 41.25 39.66 3jty s ASN 307 CO 0.25 -0.89 0.00 0.61 -2.04 0.00 0.00 177.10 175.03 3jty n GLY 308 N 0.60 2.98 3.80 0.45 0.00 -1.26 -4.89 105.19 106.87 3jty n GLY 308 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.63 3.47 0.47 2.61 -4.23 -0.76 -4.58 115.64 110.99 3jty s THR 309 Ca 0.00 0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 60.77 3jty s THR 309 Cb 0.00 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 3jty s THR 309 CO 0.00 -0.63 1.13 -0.55 -0.54 0.00 0.00 174.62 174.03 3jty s SER 310 N -3.80 6.18 -0.08 3.99 0.15 -0.41 -4.85 113.70 114.87 3jty s SER 310 Ca 0.60 2.20 0.12 0.00 0.70 0.00 0.00 55.95 59.57 3jty s SER 310 Cb -0.15 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.07 3jty s SER 310 CO 0.55 -0.90 1.35 0.61 1.20 0.00 0.00 173.24 176.05 3jty n GLY 311 N 0.30 1.93 0.29 9.45 0.00 -1.26 -4.66 105.19 111.24 3jty n GLY 311 Ca 0.08 -0.58 0.28 0.00 0.00 0.00 0.00 46.02 45.79 3jty n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 312 N 0.85 -0.63 0.24 -0.02 0.00 -1.26 -1.84 105.19 102.52 3jty n GLY 312 Ca 0.18 0.65 0.07 0.00 0.00 0.00 0.00 46.02 46.92 3jty n GLY 312 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jty h THR 313 N 0.00 1.04 -3.93 2.61 2.02 -1.86 -3.43 112.91 109.35 3jty h THR 313 Ca 0.70 -0.50 -0.49 0.00 0.77 0.00 0.00 66.41 66.89 3jty h THR 313 Cb 1.94 1.28 0.03 0.00 -1.74 0.00 0.00 68.15 69.65 3jty h THR 313 CO -0.58 0.14 0.45 -0.76 0.37 0.00 0.00 175.52 175.14 3jty s LEU 314 N -8.54 4.21 0.35 2.58 1.43 -0.77 -4.93 118.68 113.01 3jty s LEU 314 Ca -0.04 2.18 0.06 0.00 -1.03 0.00 0.00 54.13 55.30 3jty s LEU 314 Cb 0.16 -4.05 0.65 0.00 0.03 0.00 0.00 46.19 42.97 3jty s LEU 314 CO 0.68 -0.51 1.86 0.00 0.23 0.00 0.00 176.35 178.61 3jty h ALA 315 N 2.72 1.38 -0.58 4.21 0.00 -1.87 -2.97 119.26 122.15 3jty h ALA 315 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3jty h ALA 315 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3jty h ALA 315 CO 0.63 0.42 0.00 0.09 0.00 0.00 0.00 179.25 180.39 3jty n ASN 316 N -4.25 4.58 -4.63 0.00 3.02 -1.26 -4.87 115.26 107.86 3jty n ASN 316 Ca 0.00 -2.49 -0.42 0.00 -0.03 0.00 0.00 54.58 51.65 3jty n ASN 316 Cb 0.29 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3jty n ASN 316 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3jty n ASP 317 N 0.90 1.65 -3.24 6.41 2.03 -1.12 -4.61 116.55 118.56 3jty n ASP 317 Ca 0.24 1.09 -0.17 0.00 0.52 0.00 0.00 54.79 56.48 3jty n ASP 317 Cb 0.87 -1.38 -0.06 0.00 -0.72 0.00 0.00 41.12 39.83 3jty n ASP 317 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3jty s SER 318 N -0.62 1.32 0.29 1.67 1.04 -0.34 -4.98 113.70 112.09 3jty s SER 318 Ca 0.61 -1.63 0.03 0.00 0.48 0.00 0.00 55.95 55.43 3jty s SER 318 Cb -0.58 0.63 0.46 0.00 0.10 0.00 0.00 66.02 66.63 3jty s SER 318 CO 0.58 -1.21 1.77 1.88 0.98 0.00 0.00 173.24 177.24 3jty h TYR 319 N 2.10 0.57 0.00 5.02 0.05 -2.01 -3.33 116.97 119.38 3jty h TYR 319 Ca -0.27 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.42 3jty h TYR 319 Cb 1.24 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3jty h TYR 319 CO 1.66 0.66 0.00 0.09 -1.05 0.00 0.00 178.16 179.52 3jty n ASN 320 N -4.18 1.28 -3.61 3.88 3.02 -1.26 -5.03 115.26 109.37 3jty n ASN 320 Ca 0.00 -1.39 -0.12 0.00 -0.03 0.00 0.00 54.58 53.05 3jty n ASN 320 Cb 0.35 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.39 -1.89 -2.00 5.41 0.00 -1.25 -5.05 121.76 116.60 3jty s ALA 321 Ca 0.00 1.79 0.25 0.00 0.00 0.00 0.00 51.96 54.00 3jty s ALA 321 Cb 0.00 -1.05 0.45 0.00 0.00 0.00 0.00 23.12 22.52 3jty s ALA 321 CO 0.00 -0.29 1.38 0.43 0.00 0.00 0.00 175.76 177.28 3jty n SER 322 N 1.91 1.57 -3.95 0.00 7.64 -1.26 -1.19 113.62 118.33 3jty n SER 322 Ca -0.13 -1.25 -0.26 0.00 1.01 0.00 0.00 58.87 58.23 3jty n SER 322 Cb 0.56 0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.22 -1.71 -1.54 1.43 4.01 -1.26 -4.38 117.16 113.48 3jty n TYR 323 Ca 0.12 0.77 0.07 0.00 -0.16 0.00 0.00 57.90 58.69 3jty n TYR 323 Cb 0.41 -3.75 0.15 0.00 -0.31 0.00 0.00 39.34 35.83 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 -2.96 1.71 -4.78 7.72 5.75 -1.26 -4.88 116.55 117.85 3jty n ASP 324 Ca -0.26 -3.24 -0.35 0.00 -0.01 0.00 0.00 54.79 50.93 3jty n ASP 324 Cb 0.66 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 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 -2.78 5.96 0.34 -1.12 0.01 -1.26 -3.27 114.94 112.82 3jty s ASN 325 Ca 0.32 2.10 -0.26 0.00 -0.71 0.00 0.00 52.86 54.31 3jty s ASN 325 Cb 0.31 -2.58 -0.13 0.00 0.41 0.00 0.00 41.25 39.26 3jty s ASN 325 CO -0.04 -1.05 0.92 0.00 -1.51 0.00 0.00 177.10 175.42 3jty n ALA 326 N -1.12 -0.40 -0.75 0.60 0.00 -1.26 -1.41 120.51 116.17 3jty n ALA 326 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3jty n ALA 326 Cb 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 0.55 -1.12 -2.15 0.00 5.02 -1.25 -2.03 118.16 117.19 3jty n LYS 327 Ca 0.10 0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 56.25 3jty n LYS 327 Cb 0.35 -4.67 -0.03 0.00 -0.02 0.00 0.00 35.03 30.66 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 -1.50 4.35 0.12 1.97 2.12 -0.50 -4.65 118.70 120.61 3jty s GLU 328 Ca 0.00 2.14 0.04 0.00 0.36 0.00 0.00 54.97 57.51 3jty s GLU 328 Cb 0.00 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 3jty s GLU 328 CO 0.00 -0.30 0.11 0.15 -0.54 0.00 0.00 175.26 174.68 3jty s LYS 329 N -0.27 2.90 0.17 4.30 1.02 -0.50 -1.41 119.74 125.95 3jty s LYS 329 Ca 0.57 -0.78 -0.20 0.00 0.02 0.00 0.00 55.97 55.58 3jty s LYS 329 Cb -0.38 -2.69 0.05 0.00 -0.52 0.00 0.00 37.83 34.29 3jty s LYS 329 CO 0.40 0.52 0.55 -1.54 -0.92 0.00 0.00 175.35 174.37 3jty s SER 330 N -2.77 -0.42 0.07 2.83 1.04 -0.66 -1.51 113.70 112.28 3jty s SER 330 Ca 0.30 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3jty s SER 330 Cb -0.11 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3jty s SER 330 CO 0.23 -0.99 -0.08 -1.66 0.98 0.00 0.00 173.24 171.72 3jty s TRP 331 N -3.80 0.80 -0.01 5.02 1.48 -0.87 -2.47 118.94 119.10 3jty s TRP 331 Ca 0.04 -0.68 -0.01 0.00 -1.06 0.00 0.00 56.10 54.38 3jty s TRP 331 Cb -0.01 -0.47 -0.00 0.00 -1.16 0.00 0.00 33.47 31.83 3jty s TRP 331 CO -0.09 -0.10 0.03 -1.14 -4.06 0.00 0.00 176.95 171.58 3jty s GLN 332 N -2.58 0.13 -0.08 3.25 0.74 0.16 -1.45 119.66 119.84 3jty s GLN 332 Ca 0.00 -0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.31 3jty s GLN 332 Cb -0.03 0.05 0.01 0.00 1.10 0.00 0.00 33.01 34.14 3jty s GLN 332 CO -0.02 -0.02 -0.14 0.08 -0.55 0.00 0.00 175.29 174.64 3jty s VAL 333 N -0.40 1.28 -0.02 1.34 1.01 -0.64 -1.39 120.40 121.59 3jty s VAL 333 Ca -0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 3jty s VAL 333 Cb -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3jty s VAL 333 CO -0.00 0.39 0.12 -0.60 0.00 0.00 0.00 175.10 175.01 3jty s ARG 334 N 0.75 0.34 -0.04 2.72 3.52 -0.53 -1.73 118.95 123.97 3jty s ARG 334 Ca -0.13 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.28 3jty s ARG 334 Cb -0.16 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.40 3jty s ARG 334 CO 0.03 -0.07 -0.00 -1.58 -0.81 0.00 0.00 175.30 172.86 3jty s HIS 335 N -0.83 0.48 -0.01 5.12 5.65 -0.76 0.57 115.29 125.51 3jty s HIS 335 Ca -0.09 -0.07 0.04 0.00 0.25 0.00 0.00 55.06 55.19 3jty s HIS 335 Cb -0.05 -0.57 -0.03 0.00 -1.18 0.00 0.00 32.58 30.74 3jty s HIS 335 CO 0.01 -0.20 -0.11 -0.51 -0.65 0.00 0.00 174.74 173.27 3jty s ASP 336 N 1.33 4.27 -0.07 9.88 1.11 0.26 -1.71 116.67 131.73 3jty s ASP 336 Ca -0.05 -0.20 0.05 0.00 0.18 0.00 0.00 52.55 52.53 3jty s ASP 336 Cb -0.13 -0.92 -0.01 0.00 1.07 0.00 0.00 42.92 42.93 3jty s ASP 336 CO -0.02 0.31 -0.24 -0.47 1.18 0.00 0.00 175.17 175.93 3jty s TYR 337 N -0.88 2.40 -0.47 4.23 5.04 -0.30 -1.76 117.35 125.61 3jty s TYR 337 Ca 0.14 -0.82 -0.12 0.00 -2.44 0.00 0.00 57.07 53.84 3jty s TYR 337 Cb -0.11 -1.59 0.10 0.00 0.35 0.00 0.00 41.96 40.71 3jty s TYR 337 CO 0.04 -0.29 0.36 1.21 -1.34 0.00 0.00 175.55 175.54 3jty s ASN 338 N 0.05 5.88 0.00 4.32 3.84 -0.54 -1.73 114.94 126.76 3jty s ASN 338 Ca -0.09 -1.64 0.00 0.00 0.21 0.00 0.00 52.86 51.33 3jty s ASN 338 Cb -0.15 -2.08 0.00 0.00 -0.55 0.00 0.00 41.25 38.47 3jty s ASN 338 CO 0.05 -0.67 0.28 0.49 -2.79 0.00 0.00 177.10 174.46 3jty n PHE 339 N 5.04 0.00 0.15 0.43 3.72 -0.24 -2.66 117.46 123.90 3jty n PHE 339 Ca -0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 3jty n PHE 339 Cb 0.42 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.56 0.84 -0.91 4.37 0.00 -1.74 -1.53 119.26 121.84 3jty h ALA 340 Ca 0.00 -0.50 0.15 0.00 0.00 0.00 0.00 54.91 54.57 3jty h ALA 340 Cb 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3jty h ALA 340 CO 0.00 0.68 0.58 0.00 0.00 0.00 0.00 179.25 180.52 3jty h ALA 341 N 1.45 1.84 -0.62 0.00 0.00 -1.83 -2.95 119.26 117.15 3jty h ALA 341 Ca -0.01 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 3jty h ALA 341 Cb 1.16 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.64 3jty h ALA 341 CO 0.07 -0.10 0.22 1.28 0.00 0.00 0.00 179.25 180.71 3jty n LEU 342 N -4.58 5.23 0.00 0.00 4.77 -1.13 -4.93 117.00 116.36 3jty n LEU 342 Ca 0.18 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.42 3jty n LEU 342 Cb 0.50 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3jty n LEU 342 CO 0.29 1.20 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 3jty n GLY 343 N -1.13 0.48 2.48 -0.72 0.00 -1.11 -5.00 105.19 100.18 3jty n GLY 343 Ca 0.45 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.87 -0.62 -0.31 1.61 0.31 -0.59 -5.02 118.33 110.85 3jty n VAL 344 Ca 0.00 -3.74 0.05 0.00 -0.01 0.00 0.00 64.34 60.63 3jty n VAL 344 Cb 0.01 -1.77 0.24 0.00 -0.91 0.00 0.00 33.84 31.41 3jty n VAL 344 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3jty h PRO 345 N 5.49 0.98 0.00 5.55 0.13 -1.83 -3.01 132.00 139.31 3jty h PRO 345 Ca 0.24 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3jty h PRO 345 Cb 0.88 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3jty h PRO 345 CO 0.45 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 3jty n GLY 346 N -1.39 -1.05 3.68 1.56 0.00 -1.26 -4.50 105.19 102.21 3jty n GLY 346 Ca 0.14 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.55 3.99 0.08 0.99 2.96 -1.16 -1.74 118.68 121.24 3jty s LEU 347 Ca 0.23 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3jty s LEU 347 Cb 0.16 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3jty s LEU 347 CO 0.36 0.18 -0.12 0.42 -1.32 0.00 0.00 176.35 175.87 3jty s THR 348 N 0.37 0.96 0.03 3.68 -4.23 -0.39 -1.08 115.64 114.98 3jty s THR 348 Ca 0.05 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3jty s THR 348 Cb -0.12 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 3jty s THR 348 CO -0.01 -0.39 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.37 3jty s LEU 349 N -2.00 2.17 -0.16 4.79 2.96 -0.71 -1.27 118.68 124.46 3jty s LEU 349 Ca -0.00 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 3jty s LEU 349 Cb -0.07 -0.38 0.06 0.00 0.50 0.00 0.00 46.19 46.30 3jty s LEU 349 CO 0.01 -0.05 0.36 -0.32 -1.32 0.00 0.00 176.35 175.04 3jty s MET 350 N -1.10 0.32 -0.07 1.98 -2.45 -0.44 -1.15 119.30 116.39 3jty s MET 350 Ca -0.03 0.76 -0.01 0.00 -1.25 0.00 0.00 55.69 55.16 3jty s MET 350 Cb -0.07 -0.01 0.03 0.00 1.25 0.00 0.00 34.83 36.03 3jty s MET 350 CO 0.01 -0.18 0.00 -0.80 1.05 0.00 0.00 175.02 175.10 3jty s ASN 351 N 1.58 1.62 0.18 1.11 0.01 -0.70 -0.53 114.94 118.21 3jty s ASN 351 Ca -0.08 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.02 3jty s ASN 351 Cb -0.10 -0.45 -0.05 0.00 0.41 0.00 0.00 41.25 41.07 3jty s ASN 351 CO -0.12 -0.20 -0.10 0.00 -1.51 0.00 0.00 177.10 175.18 3jty s ARG 352 N 1.97 1.18 -0.02 -0.60 1.70 -0.51 -1.83 118.95 120.84 3jty s ARG 352 Ca 0.05 -1.53 -0.00 0.00 -0.47 0.00 0.00 55.73 53.78 3jty s ARG 352 Cb -0.12 -0.78 0.03 0.00 -0.57 0.00 0.00 34.95 33.50 3jty s ARG 352 CO -0.05 0.09 0.03 -0.47 -1.08 0.00 0.00 175.30 173.82 3jty s TYR 353 N -3.23 0.04 0.03 5.89 5.04 -0.70 -1.92 117.35 122.50 3jty s TYR 353 Ca 0.20 0.14 0.06 0.00 -2.44 0.00 0.00 57.07 55.03 3jty s TYR 353 Cb 0.02 -0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.04 3jty s TYR 353 CO 0.04 -0.10 -0.16 0.42 -1.34 0.00 0.00 175.55 174.40 3jty s ILE 354 N 1.19 1.29 -0.09 3.14 1.01 -0.25 -1.62 121.20 125.87 3jty s ILE 354 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3jty s ILE 354 Cb -0.13 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.23 3jty s ILE 354 CO -0.03 0.14 -0.07 -0.55 0.00 0.00 0.00 174.94 174.43 3jty s SER 355 N -0.97 1.91 0.29 3.58 0.15 -0.53 -0.38 113.70 117.75 3jty s SER 355 Ca 0.04 -0.25 0.09 0.00 0.70 0.00 0.00 55.95 56.53 3jty s SER 355 Cb -0.08 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 3jty s SER 355 CO 0.01 -0.10 0.05 -0.83 1.20 0.00 0.00 173.24 173.57 3jty s GLY 356 N 1.49 1.72 0.23 9.45 0.00 0.58 -2.06 107.32 118.72 3jty s GLY 356 Ca -0.00 -1.68 -0.23 0.00 0.00 0.00 0.00 44.72 42.81 3jty s GLY 356 CO -0.05 -1.71 0.83 -0.56 0.00 0.00 0.00 173.10 171.61 3jty s SER 357 N -3.73 -0.22 -1.37 1.64 0.01 -0.57 -2.64 113.70 106.83 3jty s SER 357 Ca 0.33 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.99 3jty s SER 357 Cb -0.05 0.63 0.04 0.00 0.21 0.00 0.00 66.02 66.85 3jty s SER 357 CO 0.21 -1.16 0.50 -3.20 0.41 0.00 0.00 173.24 170.00 3jty n ASN 358 N -0.49 -4.57 -4.68 2.44 5.15 -1.03 -1.41 115.26 110.67 3jty n ASN 358 Ca -0.05 -0.32 -0.43 0.00 -0.60 0.00 0.00 54.58 53.19 3jty n ASN 358 Cb 0.60 -3.74 -0.02 0.00 -0.53 0.00 0.00 39.78 36.08 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 -3.00 4.19 -0.37 3.44 1.01 -0.67 -3.39 120.40 121.62 3jty s VAL 359 Ca 0.34 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.80 3jty s VAL 359 Cb -0.17 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.34 3jty s VAL 359 CO 0.42 -0.05 0.12 -1.00 0.00 0.00 0.00 175.10 174.59 3jty s HIS 360 N 2.77 3.51 0.33 5.22 3.76 -0.86 -2.46 115.29 127.57 3jty s HIS 360 Ca 0.57 -2.32 0.00 0.00 -0.15 0.00 0.00 55.06 53.16 3jty s HIS 360 Cb -0.24 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.61 3jty s HIS 360 CO 0.20 -0.92 0.01 -2.37 -0.85 0.00 0.00 174.74 170.81 3jty n THR 361 N 4.56 0.00 0.09 1.30 5.66 -0.98 -4.02 114.28 120.89 3jty n THR 361 Ca -0.05 -1.54 0.04 0.00 -3.05 0.00 0.00 64.05 59.45 3jty n THR 361 Cb 0.42 0.29 0.20 0.00 -1.55 0.00 0.00 70.33 69.69 3jty n THR 361 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3jty n ALA 362 N -1.97 0.59 -0.29 1.79 0.00 -1.26 -2.55 120.51 116.82 3jty n ALA 362 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3jty n ALA 362 Cb 0.41 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3jty n ALA 362 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3jty n THR 363 N -1.72 0.00 -3.58 0.00 -1.04 -1.26 -5.08 114.28 101.59 3jty n THR 363 Ca -0.00 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.05 61.58 3jty n THR 363 Cb 0.28 1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 70.03 3jty n THR 363 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3jty s VAL 364 N -0.17 0.04 0.00 12.58 0.11 -1.06 -5.05 120.40 126.86 3jty s VAL 364 Ca 0.00 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3jty s VAL 364 Cb 0.00 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3jty s VAL 364 CO 0.00 -0.18 0.03 -1.54 -3.33 0.00 0.00 175.10 170.09 3jty n SER 365 N 0.20 0.06 -1.53 3.54 3.41 -1.23 -2.31 113.62 115.76 3jty n SER 365 Ca -0.18 -0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 57.95 3jty n SER 365 Cb 0.61 0.20 0.09 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.20 3.84 -4.76 4.04 5.75 -1.23 -4.29 116.55 119.69 3jty n ASP 366 Ca 0.00 -3.81 -0.40 0.00 -0.01 0.00 0.00 54.79 50.58 3jty n ASP 366 Cb 0.04 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 39.68 3jty n ASP 366 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3jty s GLY 367 N -3.42 2.99 0.01 6.12 0.00 -1.03 -4.62 107.32 107.37 3jty s GLY 367 Ca 0.47 0.92 0.08 0.00 0.00 0.00 0.00 44.72 46.19 3jty s GLY 367 CO 0.00 1.49 -0.26 0.54 0.00 0.00 0.00 173.10 174.88 3jty s LYS 368 N -1.73 2.00 0.03 2.90 1.02 -1.26 -1.67 119.74 121.03 3jty s LYS 368 Ca 0.48 -0.99 0.05 0.00 0.02 0.00 0.00 55.97 55.52 3jty s LYS 368 Cb -0.31 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3jty s LYS 368 CO 0.40 0.54 -0.14 -1.21 -0.92 0.00 0.00 175.35 174.03 3jty s GLU 369 N -0.87 0.95 -0.14 1.68 2.02 -1.08 -3.29 118.70 117.98 3jty s GLU 369 Ca 0.11 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.30 3jty s GLU 369 Cb -0.10 -0.94 0.04 0.00 0.10 0.00 0.00 34.13 33.22 3jty s GLU 369 CO 0.00 0.24 0.36 1.67 0.02 0.00 0.00 175.26 177.56 3jty s TRP 370 N -0.71 -0.40 0.06 1.61 -2.14 -0.62 0.21 118.94 116.96 3jty s TRP 370 Ca 0.02 0.98 0.04 0.00 2.66 0.00 0.00 56.10 59.80 3jty s TRP 370 Cb -0.07 0.14 -0.03 0.00 -3.10 0.00 0.00 33.47 30.41 3jty s TRP 370 CO 0.01 -0.19 -0.13 0.20 -2.66 0.00 0.00 176.95 174.18 3jty s GLY 371 N 0.21 0.78 -0.09 3.67 0.00 0.49 -1.43 107.32 110.95 3jty s GLY 371 Ca -0.00 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3jty s GLY 371 CO 0.00 -0.96 -0.22 -1.60 0.00 0.00 0.00 173.10 170.32 3jty s ARG 372 N -1.65 2.82 0.06 2.90 3.52 -0.40 -1.09 118.95 125.11 3jty s ARG 372 Ca -0.03 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 3jty s ARG 372 Cb -0.10 -2.16 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 3jty s ARG 372 CO 0.02 0.18 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.35 3jty s GLU 373 N 0.33 0.77 0.04 5.12 2.02 -0.81 -0.94 118.70 125.23 3jty s GLU 373 Ca -0.17 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 53.97 3jty s GLU 373 Cb -0.17 -0.73 -0.02 0.00 0.10 0.00 0.00 34.13 33.31 3jty s GLU 373 CO 0.08 0.16 -0.05 -1.12 0.02 0.00 0.00 175.26 174.35 3jty s SER 374 N -1.57 0.52 -0.09 -0.19 0.01 0.48 -1.42 113.70 111.44 3jty s SER 374 Ca -0.03 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 3jty s SER 374 Cb -0.09 0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.27 3jty s SER 374 CO 0.02 -0.32 0.20 -0.70 0.41 0.00 0.00 173.24 172.85 3jty s GLU 375 N -1.93 0.14 -0.25 12.44 2.12 0.31 -1.32 118.70 130.21 3jty s GLU 375 Ca -0.10 0.49 -0.05 0.00 0.36 0.00 0.00 54.97 55.68 3jty s GLU 375 Cb -0.07 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.17 3jty s GLU 375 CO -0.02 -0.19 0.01 0.08 -0.54 0.00 0.00 175.26 174.60 3jty s VAL 376 N 1.43 3.65 0.09 3.70 1.01 -0.88 -1.32 120.40 128.08 3jty s VAL 376 Ca -0.07 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3jty s VAL 376 Cb -0.11 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3jty s VAL 376 CO -0.07 0.28 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 3jty s ALA 377 N 1.49 1.93 -0.01 5.51 0.00 -0.40 -1.67 121.76 128.61 3jty s ALA 377 Ca 0.04 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.77 3jty s ALA 377 Cb -0.16 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3jty s ALA 377 CO -0.01 0.42 -0.03 -0.47 0.00 0.00 0.00 175.76 175.67 3jty s TYR 378 N -1.03 0.35 -0.16 0.00 5.04 -0.38 -1.26 117.35 119.91 3jty s TYR 378 Ca 0.08 -0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3jty s TYR 378 Cb -0.10 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.92 3jty s TYR 378 CO 0.04 -0.05 -0.16 0.99 -1.34 0.00 0.00 175.55 175.02 3jty s THR 379 N 0.29 2.54 0.13 4.34 2.01 -0.71 -0.73 115.64 123.50 3jty s THR 379 Ca -0.03 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 3jty s THR 379 Cb -0.06 -2.07 -0.10 0.00 0.01 0.00 0.00 72.50 70.29 3jty s THR 379 CO -0.01 0.52 1.74 -0.69 -0.69 0.00 0.00 174.62 175.50 3jty s VAL 380 N 0.88 2.55 -0.14 3.82 1.01 -0.41 -4.27 120.40 123.84 3jty s VAL 380 Ca -0.04 0.18 0.16 0.00 0.00 0.00 0.00 61.98 62.28 3jty s VAL 380 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3jty s VAL 380 CO -0.02 0.00 1.07 1.56 0.00 0.00 0.00 175.10 177.72 3jty h GLN 381 N 8.00 0.00 -2.71 2.72 1.08 -1.91 0.11 115.11 122.39 3jty h GLN 381 Ca -0.44 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.70 3jty h GLN 381 Cb 1.21 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.48 3jty h GLN 381 CO 0.94 0.36 0.05 -1.54 -0.95 0.00 0.00 178.83 177.69 3jty s SER 382 N -6.02 -0.46 0.00 1.46 1.04 -1.26 -4.82 113.70 103.64 3jty s SER 382 Ca -0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3jty s SER 382 Cb 0.08 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3jty s SER 382 CO 0.79 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.90 3jty n GLY 383 N 0.43 -0.37 0.14 7.32 0.00 -1.26 -4.28 105.19 107.17 3jty n GLY 383 Ca -0.18 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 1.13 0.00 2.61 1.35 -2.02 -3.27 112.91 112.71 3jty h THR 384 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3jty h THR 384 Cb 0.00 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3jty h THR 384 CO 0.00 0.82 0.00 0.18 -0.25 0.00 0.00 175.52 176.27 3jty n LEU 385 N -3.71 0.00 -4.54 3.87 4.77 -1.26 -4.94 117.00 111.19 3jty n LEU 385 Ca -0.21 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.26 3jty n LEU 385 Cb 1.06 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.10 3jty n LEU 385 CO 0.55 0.00 0.60 0.29 -1.33 0.00 0.00 177.39 177.50 3jty n LYS 386 N -0.66 0.76 -0.98 3.23 4.76 -1.24 -1.11 118.16 122.92 3jty n LYS 386 Ca 0.04 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 3jty n LYS 386 Cb 0.02 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 3jty n LYS 386 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3jty n ASN 387 N 1.94 -2.01 -4.68 4.39 3.02 0.02 -4.94 115.26 113.01 3jty n ASN 387 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3jty n ASN 387 Cb 0.21 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 3jty n ASN 387 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3jty s LEU 388 N 0.00 4.32 -0.09 3.41 2.96 -0.27 -4.50 118.68 124.51 3jty s LEU 388 Ca 0.00 2.23 0.02 0.00 -0.22 0.00 0.00 54.13 56.16 3jty s LEU 388 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 3jty s LEU 388 CO 0.00 -0.82 -0.16 0.21 -1.32 0.00 0.00 176.35 174.26 3jty s ASN 389 N 2.37 3.81 -0.15 3.68 2.47 -0.30 -1.29 114.94 125.53 3jty s ASN 389 Ca 0.68 -0.33 -0.00 0.00 0.42 0.00 0.00 52.86 53.63 3jty s ASN 389 Cb -0.34 -1.23 0.04 0.00 -1.45 0.00 0.00 41.25 38.27 3jty s ASN 389 CO 0.28 0.24 -0.06 -0.76 -3.72 0.00 0.00 177.10 173.08 3jty s LEU 390 N -0.08 1.53 -0.07 3.21 1.02 0.09 -0.97 118.68 123.40 3jty s LEU 390 Ca -0.03 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.57 3jty s LEU 390 Cb -0.14 -0.91 -0.02 0.00 0.02 0.00 0.00 46.19 45.14 3jty s LEU 390 CO 0.04 -0.17 -0.17 -0.54 0.02 0.00 0.00 176.35 175.54 3jty s LYS 391 N 1.64 2.75 -0.30 1.70 1.02 0.77 -1.24 119.74 126.08 3jty s LYS 391 Ca 0.02 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.28 3jty s LYS 391 Cb -0.15 -2.39 0.08 0.00 -0.52 0.00 0.00 37.83 34.86 3jty s LYS 391 CO -0.08 0.45 -0.00 -0.46 -0.92 0.00 0.00 175.35 174.34 3jty s TRP 392 N -0.30 3.15 -0.15 3.18 -0.00 -0.67 -0.53 118.94 123.63 3jty s TRP 392 Ca 0.02 -2.46 -0.10 0.00 -0.00 0.00 0.00 56.10 53.55 3jty s TRP 392 Cb -0.13 -2.29 -0.05 0.00 -0.00 0.00 0.00 33.47 31.01 3jty s TRP 392 CO 0.03 -0.89 0.19 1.03 -0.00 0.00 0.00 176.95 177.31 3jty s ARG 393 N 1.12 3.91 -0.05 5.86 0.52 0.27 -2.07 118.95 128.52 3jty s ARG 393 Ca 0.03 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 3jty s ARG 393 Cb -0.19 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 31.97 3jty s ARG 393 CO -0.09 0.50 -0.12 1.21 0.02 0.00 0.00 175.30 176.81 3jty s ASN 394 N -0.25 1.70 0.15 0.23 2.47 -0.43 0.08 114.94 118.89 3jty s ASN 394 Ca 0.14 -0.28 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 3jty s ASN 394 Cb -0.12 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.06 3jty s ASN 394 CO 0.03 0.07 0.31 -0.44 -3.72 0.00 0.00 177.10 173.35 3jty s SER 395 N 0.38 -0.01 -0.04 -4.21 0.01 -0.18 -0.38 113.70 109.26 3jty s SER 395 Ca -0.09 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 3jty s SER 395 Cb -0.13 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.58 3jty s SER 395 CO 0.02 -0.88 0.08 -0.89 0.41 0.00 0.00 173.24 171.99 3jty s THR 396 N -3.92 -0.07 -0.05 1.44 2.01 -0.12 -0.95 115.64 113.98 3jty s THR 396 Ca 0.12 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.38 3jty s THR 396 Cb 0.03 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.38 3jty s THR 396 CO -0.04 0.09 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.51 3jty s MET 397 N 1.24 1.76 0.03 4.92 0.00 -0.75 -1.27 119.30 125.22 3jty s MET 397 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 55.69 55.08 3jty s MET 397 Cb -0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 34.83 33.19 3jty s MET 397 CO -0.04 0.19 -0.08 1.03 0.00 0.00 0.00 175.02 176.11 3jty s ARG 398 N 0.19 0.57 -0.01 4.11 1.81 -0.51 -1.69 118.95 123.41 3jty s ARG 398 Ca -0.07 -0.63 -0.16 0.00 -1.72 0.00 0.00 55.73 53.16 3jty s ARG 398 Cb -0.12 -0.43 0.03 0.00 -0.45 0.00 0.00 34.95 33.98 3jty s ARG 398 CO 0.03 0.09 0.33 1.03 -0.68 0.00 0.00 175.30 176.11 3jty s ARG 399 N -1.17 0.72 -0.12 3.54 0.52 -1.26 -1.59 118.95 119.59 3jty s ARG 399 Ca -0.05 -0.22 0.14 0.00 -0.52 0.00 0.00 55.73 55.09 3jty s ARG 399 Cb -0.08 0.32 0.42 0.00 0.52 0.00 0.00 34.95 36.13 3jty s ARG 399 CO 0.00 -0.21 1.33 -3.47 0.02 0.00 0.00 175.30 172.98 3jty n ASP 400 N 1.13 3.38 0.00 0.23 -0.08 -1.21 -4.57 116.55 115.43 3jty n ASP 400 Ca -0.21 -2.71 0.00 0.00 -1.51 0.00 0.00 54.79 50.36 3jty n ASP 400 Cb 0.57 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.60 3jty n ASP 400 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 3jty n PHE 401 N -0.35 0.00 -3.98 -0.67 1.16 -1.26 -4.95 117.46 107.41 3jty n PHE 401 Ca 0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.67 3jty n PHE 401 Cb 0.71 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.49 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 -0.33 0.29 -0.01 5.98 1.04 -1.26 -5.03 113.70 114.38 3jty s SER 402 Ca 0.00 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3jty s SER 402 Cb 0.00 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.39 3jty s SER 402 CO 0.00 -0.56 0.71 -0.46 0.98 0.00 0.00 173.24 173.91 3jty n ASN 403 N 0.45 0.99 -4.11 7.02 0.23 -1.26 -4.58 115.26 113.99 3jty n ASN 403 Ca -0.17 -2.04 -0.43 0.00 -0.53 0.00 0.00 54.58 51.41 3jty n ASN 403 Cb 0.60 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3jty n ASN 403 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3jty n ASN 404 N -0.08 5.05 -4.13 0.53 5.15 -1.26 -4.61 115.26 115.91 3jty n ASN 404 Ca 0.02 -3.03 -0.19 0.00 -0.60 0.00 0.00 54.58 50.77 3jty n ASN 404 Cb 0.23 -1.54 -0.13 0.00 -0.53 0.00 0.00 39.78 37.81 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 1.21 0.85 -0.06 1.20 2.02 -1.26 -4.72 118.70 117.94 3jty s GLU 405 Ca 0.42 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 54.33 3jty s GLU 405 Cb 0.05 -0.83 0.11 0.00 0.10 0.00 0.00 34.13 33.56 3jty s GLU 405 CO 0.00 0.20 1.03 -0.59 0.02 0.00 0.00 175.26 175.92 3jty s PHE 406 N -0.96 -0.24 -0.01 1.61 -0.12 -0.68 -2.53 117.98 115.05 3jty s PHE 406 Ca -0.00 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 3jty s PHE 406 Cb -0.08 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3jty s PHE 406 CO 0.01 -0.43 0.03 -0.51 -0.05 0.00 0.00 175.22 174.27 3jty s ASP 407 N -2.44 5.30 -0.11 1.98 1.01 0.16 -1.82 116.67 120.76 3jty s ASP 407 Ca 0.08 0.05 -0.09 0.00 0.71 0.00 0.00 52.55 53.30 3jty s ASP 407 Cb -0.01 -1.44 0.03 0.00 1.01 0.00 0.00 42.92 42.52 3jty s ASP 407 CO -0.06 0.29 0.29 -0.70 0.21 0.00 0.00 175.17 175.19 3jty s GLU 408 N -1.55 0.31 -0.08 8.23 2.12 -0.13 0.23 118.70 127.82 3jty s GLU 408 Ca 0.20 0.46 0.03 0.00 0.36 0.00 0.00 54.97 56.02 3jty s GLU 408 Cb -0.12 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.36 3jty s GLU 408 CO 0.11 -0.08 -0.17 -0.80 -0.54 0.00 0.00 175.26 173.77 3jty s ASN 409 N 0.51 2.36 -0.12 -1.70 0.01 -0.50 -1.02 114.94 114.48 3jty s ASN 409 Ca -0.03 -0.41 -0.00 0.00 -0.71 0.00 0.00 52.86 51.71 3jty s ASN 409 Cb -0.04 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.52 3jty s ASN 409 CO -0.03 0.09 -0.13 -0.13 -1.51 0.00 0.00 177.10 175.39 3jty s ARG 410 N 0.52 3.33 -0.16 -0.60 0.52 0.11 -1.48 118.95 121.20 3jty s ARG 410 Ca -0.17 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.35 3jty s ARG 410 Cb -0.17 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 3jty s ARG 410 CO 0.06 0.25 -0.09 -1.17 0.02 0.00 0.00 175.30 174.37 3jty s LEU 411 N 0.26 2.88 -0.15 2.53 2.96 -0.51 -0.56 118.68 126.09 3jty s LEU 411 Ca -0.09 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3jty s LEU 411 Cb -0.15 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.90 3jty s LEU 411 CO 0.05 0.12 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.56 3jty s ILE 412 N 0.62 0.74 -0.22 6.68 1.01 0.31 -0.48 121.20 129.87 3jty s ILE 412 Ca -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3jty s ILE 412 Cb -0.15 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3jty s ILE 412 CO 0.03 0.06 -0.08 -0.63 0.00 0.00 0.00 174.94 174.31 3jty s ILE 413 N 1.79 2.98 -0.01 2.92 1.01 -0.36 -0.16 121.20 129.37 3jty s ILE 413 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3jty s ILE 413 Cb -0.15 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 3jty s ILE 413 CO -0.07 0.40 -0.09 -0.94 0.00 0.00 0.00 174.94 174.24 3jty s SER 414 N 1.41 1.12 -0.15 3.58 1.04 -0.15 0.38 113.70 120.94 3jty s SER 414 Ca 0.05 -0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 3jty s SER 414 Cb -0.14 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3jty s SER 414 CO -0.06 0.11 -0.07 -0.47 0.98 0.00 0.00 173.24 173.73 3jty s TYR 415 N -0.19 1.70 -0.62 5.02 5.04 0.53 -1.15 117.35 127.67 3jty s TYR 415 Ca 0.03 -0.99 -0.26 0.00 -2.44 0.00 0.00 57.07 53.40 3jty s TYR 415 Cb -0.04 -1.33 0.04 0.00 0.35 0.00 0.00 41.96 40.98 3jty s TYR 415 CO -0.00 -0.59 1.14 -1.25 -1.34 0.00 0.00 175.55 173.50 3jty s PRO 416 N 1.63 3.35 -0.36 4.97 0.04 -1.26 -0.53 135.00 142.84 3jty s PRO 416 Ca 0.03 -0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.71 3jty s PRO 416 Cb -0.14 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.32 3jty s PRO 416 CO -0.08 -1.78 0.88 -1.17 0.04 0.00 0.00 177.00 174.89 3jty s LEU 417 N 4.86 4.04 0.08 -3.56 2.96 0.26 -4.90 118.68 122.41 3jty s LEU 417 Ca 0.36 0.53 -0.31 0.00 -0.22 0.00 0.00 54.13 54.50 3jty s LEU 417 Cb -0.10 -3.19 -0.08 0.00 0.50 0.00 0.00 46.19 43.32 3jty s LEU 417 CO 0.20 -0.81 1.52 -0.55 -1.32 0.00 0.00 176.35 175.39 3jty s SER 418 N 1.85 6.71 0.00 3.68 0.15 -1.26 -0.14 113.70 124.69 3jty s SER 418 Ca 0.36 2.38 0.11 0.00 0.70 0.00 0.00 55.95 59.49 3jty s SER 418 Cb -0.12 -2.57 0.08 0.00 -1.71 0.00 0.00 66.02 61.70 3jty s SER 418 CO 0.18 -0.79 0.83 0.18 1.20 0.00 0.00 173.24 174.85