#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkx n GLU 13 N 0.00 0.00 -0.35 -1.09 4.07 -1.26 -4.66 120.64 117.35 1bkx n GLU 13 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1bkx n GLU 13 Cb 0.00 -0.08 0.13 0.00 -0.06 0.00 0.00 31.44 31.43 1bkx n GLU 13 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1bkx h SER 14 N 0.00 1.11 0.00 4.31 0.02 -2.07 -3.16 113.55 113.76 1bkx h SER 14 Ca 0.00 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1bkx h SER 14 Cb 0.00 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1bkx h SER 14 CO 0.00 0.81 -0.13 0.52 -1.14 0.00 0.00 176.83 176.90 1bkx n VAL 15 N -4.38 2.06 0.00 2.27 0.31 -1.26 -2.76 118.33 114.57 1bkx n VAL 15 Ca 0.11 -0.92 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1bkx n VAL 15 Cb 0.02 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1bkx n VAL 15 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1bkx n LYS 16 N 2.34 0.25 0.06 5.55 4.81 -1.19 -4.74 118.16 125.23 1bkx n LYS 16 Ca 0.23 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.54 1bkx n LYS 16 Cb 0.61 -0.03 -0.04 0.00 0.02 0.00 0.00 35.03 35.59 1bkx n LYS 16 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1bkx h GLU 17 N 0.00 0.46 0.00 1.64 3.07 -1.62 -3.25 114.58 114.87 1bkx h GLU 17 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1bkx h GLU 17 Cb 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1bkx h GLU 17 CO 0.00 1.11 0.00 0.34 -1.40 0.00 0.00 179.01 179.06 1bkx n PHE 18 N -3.78 0.00 -0.30 4.33 7.35 -1.23 -0.65 117.46 123.19 1bkx n PHE 18 Ca -0.07 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.88 1bkx n PHE 18 Cb 0.82 -0.14 0.45 0.00 0.35 0.00 0.00 39.48 40.95 1bkx n PHE 18 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1bkx n LEU 19 N -0.91 0.16 0.04 -2.13 4.77 -1.26 0.41 117.00 118.08 1bkx n LEU 19 Ca 0.00 0.98 -0.22 0.00 -0.03 0.00 0.00 56.01 56.74 1bkx n LEU 19 Cb 0.00 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.46 1bkx n LEU 19 CO 0.00 -1.08 -0.57 0.00 -1.33 0.00 0.00 177.39 174.42 1bkx h ALA 20 N 1.14 0.22 -0.63 -1.18 0.00 -1.61 0.19 119.26 117.39 1bkx h ALA 20 Ca 0.59 -1.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1bkx h ALA 20 Cb 1.83 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 20.11 1bkx h ALA 20 CO -0.36 1.03 0.13 -0.22 0.00 0.00 0.00 179.25 179.82 1bkx h LYS 21 N -0.01 1.01 0.00 0.00 1.63 0.88 -2.62 116.57 117.46 1bkx h LYS 21 Ca -0.35 -0.24 -0.14 0.00 -0.85 0.00 0.00 60.65 59.07 1bkx h LYS 21 Cb 2.00 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.48 1bkx h LYS 21 CO 0.13 0.92 -0.65 0.00 -3.45 0.00 0.00 179.45 176.40 1bkx h ALA 22 N 1.17 0.71 0.00 5.00 0.00 0.79 -2.81 119.26 124.12 1bkx h ALA 22 Ca 0.20 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1bkx h ALA 22 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bkx h ALA 22 CO 0.01 0.81 -0.49 -0.22 0.00 0.00 0.00 179.25 179.36 1bkx h LYS 23 N 0.00 0.00 0.01 0.00 3.64 -0.32 -3.20 116.57 116.71 1bkx h LYS 23 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1bkx h LYS 23 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1bkx h LYS 23 CO 0.08 0.49 -0.01 1.49 -2.27 0.00 0.00 179.45 179.23 1bkx h GLU 24 N 0.00 -0.01 -0.58 1.90 4.22 -1.43 -2.28 114.58 116.39 1bkx h GLU 24 Ca -0.00 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.53 1bkx h GLU 24 Cb 0.98 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 1bkx h GLU 24 CO 0.06 -0.01 -0.21 -3.47 -2.18 0.00 0.00 179.01 173.21 1bkx n ASP 25 N -3.72 -0.33 0.43 1.04 -0.08 -1.07 0.11 116.55 112.93 1bkx n ASP 25 Ca -0.00 1.02 -0.19 0.00 -1.51 0.00 0.00 54.79 54.10 1bkx n ASP 25 Cb 0.01 -0.25 -0.10 0.00 2.34 0.00 0.00 41.12 43.12 1bkx n ASP 25 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1bkx h PHE 26 N 0.00 -1.27 -0.59 -0.67 3.57 -1.66 -3.07 116.94 113.25 1bkx h PHE 26 Ca 0.22 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1bkx h PHE 26 Cb 0.37 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 1bkx h PHE 26 CO -0.50 -0.72 -0.35 1.28 -2.23 0.00 0.00 178.31 175.80 1bkx n LEU 27 N -5.49 -0.62 0.00 0.59 4.77 0.30 0.14 117.00 116.70 1bkx n LEU 27 Ca -0.15 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1bkx n LEU 27 Cb 0.49 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1bkx n LEU 27 CO 0.34 -0.88 0.20 0.29 -1.33 0.00 0.00 177.39 176.01 1bkx n LYS 28 N -4.60 0.00 -0.25 3.23 5.02 -0.92 0.90 118.16 121.54 1bkx n LYS 28 Ca 0.01 0.36 -0.03 0.00 -2.02 0.00 0.00 58.31 56.62 1bkx n LYS 28 Cb 0.15 -0.90 -0.01 0.00 -0.02 0.00 0.00 35.03 34.25 1bkx n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bkx n LYS 29 N -0.75 -0.20 -0.40 1.97 5.02 0.03 0.39 118.16 124.21 1bkx n LYS 29 Ca 0.00 0.95 -0.07 0.00 -2.02 0.00 0.00 58.31 57.17 1bkx n LYS 29 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1bkx n LYS 29 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1bkx n TRP 30 N -4.86 -0.27 -1.15 2.13 -0.00 0.12 0.05 117.44 113.46 1bkx n TRP 30 Ca 0.04 1.21 -0.18 0.00 -0.00 0.00 0.00 57.50 58.58 1bkx n TRP 30 Cb 0.21 -0.68 -0.08 0.00 -0.00 0.00 0.00 31.31 30.76 1bkx n TRP 30 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1bkx n GLU 31 N -5.30 2.06 0.00 5.87 0.28 1.28 -4.43 120.64 120.40 1bkx n GLU 31 Ca 0.05 -1.55 0.00 0.00 -0.16 0.00 0.00 57.16 55.49 1bkx n GLU 31 Cb 0.30 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.24 1bkx n GLU 31 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1bkx n THR 32 N 1.46 0.00 -3.62 3.84 -2.24 0.11 -4.90 114.28 108.92 1bkx n THR 32 Ca 0.40 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.79 1bkx n THR 32 Cb 0.69 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 1bkx n THR 32 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1bkx s PRO 33 N 0.00 3.10 0.47 -0.78 0.04 -1.24 -4.54 135.00 132.06 1bkx s PRO 33 Ca 0.00 -0.88 -0.22 0.00 0.04 0.00 0.00 61.00 59.94 1bkx s PRO 33 Cb 0.00 -3.65 -0.10 0.00 0.04 0.00 0.00 34.50 30.79 1bkx s PRO 33 CO 0.00 -0.55 0.81 0.45 0.04 0.00 0.00 177.00 177.75 1bkx n SER 34 N 4.99 0.27 0.00 6.66 2.88 -1.26 -4.94 113.62 122.22 1bkx n SER 34 Ca -0.13 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1bkx n SER 34 Cb 0.48 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1bkx n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bkx n GLN 35 N 0.06 0.11 -0.03 -1.46 10.64 -1.26 -4.97 117.38 120.46 1bkx n GLN 35 Ca 0.11 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.27 1bkx n GLN 35 Cb 0.42 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.79 1bkx n GLN 35 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1bkx n ASN 36 N 0.00 0.02 0.00 2.61 3.02 -1.09 -4.57 115.26 115.25 1bkx n ASN 36 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1bkx n ASN 36 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1bkx n ASN 36 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1bkx n THR 37 N 0.08 0.03 -3.69 3.41 -1.04 -0.59 -4.95 114.28 107.52 1bkx n THR 37 Ca 0.01 -0.04 0.03 0.00 -2.04 0.00 0.00 64.05 62.00 1bkx n THR 37 Cb -0.00 1.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.99 1bkx n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bkx s ALA 38 N -0.03 -2.44 0.05 2.41 0.00 -1.26 -4.84 121.76 115.65 1bkx s ALA 38 Ca 0.00 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.68 1bkx s ALA 38 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1bkx s ALA 38 CO 0.00 -1.08 -0.19 -0.65 0.00 0.00 0.00 175.76 173.83 1bkx s GLN 39 N -2.16 1.26 0.31 0.00 -0.21 -1.26 -4.63 119.66 112.96 1bkx s GLN 39 Ca 0.19 -0.94 0.04 0.00 0.02 0.00 0.00 55.36 54.67 1bkx s GLN 39 Cb 0.05 -1.37 0.81 0.00 1.00 0.00 0.00 33.01 33.49 1bkx s GLN 39 CO -0.04 0.34 1.60 1.25 -2.12 0.00 0.00 175.29 176.32 1bkx h LEU 40 N 4.76 -0.22 -2.65 2.90 6.46 -1.97 -1.09 115.31 123.50 1bkx h LEU 40 Ca -0.42 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1bkx h LEU 40 Cb 1.17 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.48 1bkx h LEU 40 CO 0.43 -0.30 0.00 0.44 -0.62 0.00 0.00 178.44 178.39 1bkx h ASP 41 N 0.07 0.00 0.33 1.25 3.32 -2.03 -0.95 116.42 118.42 1bkx h ASP 41 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 1bkx h ASP 41 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1bkx h ASP 41 CO -0.81 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.71 1bkx n GLN 42 N -2.95 0.16 -4.28 3.56 6.02 -0.41 -4.71 117.38 114.76 1bkx n GLN 42 Ca -0.03 0.17 -0.22 0.00 -0.01 0.00 0.00 57.00 56.92 1bkx n GLN 42 Cb 0.08 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 1bkx n GLN 42 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1bkx s PHE 43 N -2.68 1.68 -0.30 1.08 0.08 -0.36 -1.49 117.98 115.99 1bkx s PHE 43 Ca 0.12 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.66 1bkx s PHE 43 Cb 0.10 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.67 1bkx s PHE 43 CO 0.23 0.21 0.07 -0.51 -0.10 0.00 0.00 175.22 175.13 1bkx s ASP 44 N -2.16 5.09 -0.03 1.36 1.01 0.01 -4.91 116.67 117.04 1bkx s ASP 44 Ca 0.08 -0.83 -0.30 0.00 0.71 0.00 0.00 52.55 52.21 1bkx s ASP 44 Cb -0.08 -1.85 -0.06 0.00 1.01 0.00 0.00 42.92 41.93 1bkx s ASP 44 CO 0.04 -0.22 1.66 0.00 0.21 0.00 0.00 175.17 176.87 1bkx s ARG 45 N 1.46 4.19 -0.16 8.23 3.03 -1.26 -0.71 118.95 133.72 1bkx s ARG 45 Ca 0.01 2.23 -0.14 0.00 2.03 0.00 0.00 55.73 59.86 1bkx s ARG 45 Cb -0.18 -3.92 -0.05 0.00 -1.03 0.00 0.00 34.95 29.78 1bkx s ARG 45 CO 0.02 -0.82 -0.28 -0.89 -1.13 0.00 0.00 175.30 172.20 1bkx n ILE 46 N 5.32 1.35 -3.51 4.99 2.08 0.10 -4.94 119.36 124.76 1bkx n ILE 46 Ca 0.17 0.19 -0.14 0.00 0.56 0.00 0.00 62.75 63.53 1bkx n ILE 46 Cb 0.42 -2.29 -0.04 0.00 -0.75 0.00 0.00 39.64 36.98 1bkx n ILE 46 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1bkx s LYS 47 N -2.59 0.98 -0.17 0.38 2.20 -0.86 -4.96 119.74 114.72 1bkx s LYS 47 Ca -0.23 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 1bkx s LYS 47 Cb 0.03 0.46 -0.00 0.00 -1.51 0.00 0.00 37.83 36.81 1bkx s LYS 47 CO 0.34 -0.36 1.01 0.99 -0.36 0.00 0.00 175.35 176.98 1bkx s THR 48 N -2.01 4.74 -0.17 3.43 2.01 -1.26 0.36 115.64 122.74 1bkx s THR 48 Ca -0.04 2.01 -0.13 0.00 0.31 0.00 0.00 61.69 63.83 1bkx s THR 48 Cb -0.00 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 1bkx s THR 48 CO 0.01 -0.08 -0.13 0.18 -0.69 0.00 0.00 174.62 173.91 1bkx n LEU 49 N 5.62 1.85 0.00 4.42 4.77 0.29 -4.49 117.00 129.45 1bkx n LEU 49 Ca 0.10 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.43 1bkx n LEU 49 Cb 0.47 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1bkx n LEU 49 CO 0.52 -0.23 -0.08 0.61 -1.33 0.00 0.00 177.39 176.87 1bkx n GLY 50 N 1.54 2.94 1.13 -0.72 0.00 0.30 -4.62 105.19 105.74 1bkx n GLY 50 Ca -0.16 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1bkx n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bkx n THR 51 N -0.60 0.00 0.00 2.61 -2.24 -1.26 -1.78 114.28 111.01 1bkx n THR 51 Ca 0.07 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1bkx n THR 51 Cb 0.57 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1bkx n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bkx n GLY 52 N 2.60 1.13 0.00 3.38 0.00 -1.26 -4.73 105.19 106.31 1bkx n GLY 52 Ca -0.05 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1bkx n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bkx n SER 53 N 0.00 0.00 -2.02 1.61 7.64 -1.26 -3.06 113.62 116.53 1bkx n SER 53 Ca 0.00 -0.30 -0.00 0.00 1.01 0.00 0.00 58.87 59.58 1bkx n SER 53 Cb 0.00 -0.18 0.05 0.00 -1.01 0.00 0.00 64.21 63.07 1bkx n SER 53 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1bkx n PHE 54 N -1.18 0.80 0.00 1.43 1.16 -1.26 -4.93 117.46 113.48 1bkx n PHE 54 Ca 0.13 -1.45 0.00 0.00 -1.87 0.00 0.00 57.45 54.27 1bkx n PHE 54 Cb 0.14 -0.21 0.00 0.00 -1.61 0.00 0.00 39.48 37.80 1bkx n PHE 54 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1bkx n GLY 55 N -0.23 -0.47 3.64 4.97 0.00 -1.17 -3.54 105.19 108.39 1bkx n GLY 55 Ca 0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 1bkx n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bkx s ARG 56 N -2.00 0.27 -0.26 1.61 0.52 -0.96 -4.10 118.95 114.02 1bkx s ARG 56 Ca 0.00 0.33 -0.03 0.00 -0.52 0.00 0.00 55.73 55.50 1bkx s ARG 56 Cb 0.00 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.61 1bkx s ARG 56 CO 0.00 -0.03 -0.01 0.08 0.02 0.00 0.00 175.30 175.35 1bkx s VAL 57 N 0.22 3.26 0.20 3.52 1.01 -0.73 -1.34 120.40 126.54 1bkx s VAL 57 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1bkx s VAL 57 Cb -0.05 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1bkx s VAL 57 CO -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 175.10 175.14 1bkx s MET 58 N 1.39 1.22 -0.04 2.72 0.00 -0.31 0.11 119.30 124.38 1bkx s MET 58 Ca 0.01 -1.60 -0.30 0.00 0.00 0.00 0.00 55.69 53.81 1bkx s MET 58 Cb -0.17 -0.48 -0.02 0.00 0.00 0.00 0.00 34.83 34.16 1bkx s MET 58 CO -0.02 -0.09 0.98 -1.17 0.00 0.00 0.00 175.02 174.72 1bkx s LEU 59 N -3.24 4.32 0.02 0.18 2.96 1.12 -0.82 118.68 123.22 1bkx s LEU 59 Ca 0.25 1.59 0.02 0.00 -0.22 0.00 0.00 54.13 55.77 1bkx s LEU 59 Cb 0.05 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 1bkx s LEU 59 CO 0.06 -0.33 -0.06 0.68 -1.32 0.00 0.00 176.35 175.38 1bkx s VAL 60 N 1.39 0.48 -0.23 1.68 -7.23 -1.24 0.00 120.40 115.25 1bkx s VAL 60 Ca 0.50 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 60.01 1bkx s VAL 60 Cb -0.20 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1bkx s VAL 60 CO 0.24 -0.09 0.06 -0.75 -0.31 0.00 0.00 175.10 174.24 1bkx s LYS 61 N -0.74 3.71 -0.13 4.82 2.20 0.11 -2.31 119.74 127.40 1bkx s LYS 61 Ca -0.03 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 1bkx s LYS 61 Cb -0.05 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1bkx s LYS 61 CO 0.00 -0.07 1.32 -1.58 -0.36 0.00 0.00 175.35 174.66 1bkx s HIS 62 N 1.29 2.76 0.01 4.03 5.65 -0.62 -0.81 115.29 127.59 1bkx s HIS 62 Ca 0.05 0.90 -0.03 0.00 0.25 0.00 0.00 55.06 56.22 1bkx s HIS 62 Cb -0.15 -3.57 -0.01 0.00 -1.18 0.00 0.00 32.58 27.68 1bkx s HIS 62 CO 0.03 -2.02 1.05 0.87 -0.65 0.00 0.00 174.74 174.02 1bkx h LYS 63 N 8.29 -0.03 0.00 2.88 1.57 -1.60 -3.24 116.57 124.45 1bkx h LYS 63 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1bkx h LYS 63 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1bkx h LYS 63 CO 0.95 -0.02 0.00 0.39 -0.57 0.00 0.00 179.45 180.20 1bkx n GLU 64 N -3.01 0.00 -1.68 3.15 1.02 -1.26 -4.16 120.64 114.70 1bkx n GLU 64 Ca -0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1bkx n GLU 64 Cb 0.03 -0.10 -0.03 0.00 -0.02 0.00 0.00 31.44 31.32 1bkx n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1bkx s SER 65 N -2.42 5.39 0.00 1.62 1.04 -1.26 -4.77 113.70 113.30 1bkx s SER 65 Ca 0.00 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1bkx s SER 65 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1bkx s SER 65 CO 0.00 -2.06 0.93 0.61 0.98 0.00 0.00 173.24 173.71 1bkx n GLY 66 N 5.74 1.56 3.27 7.32 0.00 -1.22 -4.22 105.19 117.62 1bkx n GLY 66 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 1bkx n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bkx s ASN 67 N 4.73 4.34 0.47 1.61 0.02 -1.25 -4.89 114.94 119.96 1bkx s ASN 67 Ca 0.00 -0.59 -0.21 0.00 -1.02 0.00 0.00 52.86 51.04 1bkx s ASN 67 Cb 0.00 -1.72 -0.09 0.00 0.02 0.00 0.00 41.25 39.47 1bkx s ASN 67 CO 0.00 -0.07 1.04 -1.00 0.02 0.00 0.00 177.10 177.09 1bkx s HIS 68 N 1.42 3.06 0.00 2.20 3.76 -1.26 -1.60 115.29 122.88 1bkx s HIS 68 Ca 0.04 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 1bkx s HIS 68 Cb -0.15 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1bkx s HIS 68 CO -0.04 -0.77 0.00 0.66 -0.85 0.00 0.00 174.74 173.74 1bkx n TYR 69 N -0.77 0.00 -3.69 1.40 4.01 -0.98 -4.54 117.16 112.60 1bkx n TYR 69 Ca 0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 1bkx n TYR 69 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.41 1bkx n TYR 69 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bkx s ALA 70 N -2.00 -0.43 -0.32 -0.72 0.00 -0.52 -3.69 121.76 114.08 1bkx s ALA 70 Ca 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 1bkx s ALA 70 Cb 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1bkx s ALA 70 CO 0.00 -0.46 0.08 1.41 0.00 0.00 0.00 175.76 176.79 1bkx s MET 71 N 1.98 2.79 0.06 0.00 0.00 0.00 -0.02 119.30 124.12 1bkx s MET 71 Ca -0.02 -1.06 -0.30 0.00 0.00 0.00 0.00 55.69 54.31 1bkx s MET 71 Cb -0.12 -3.39 -0.05 0.00 0.00 0.00 0.00 34.83 31.28 1bkx s MET 71 CO -0.08 -0.57 0.98 0.21 0.00 0.00 0.00 175.02 175.56 1bkx s LYS 72 N 1.43 4.62 -0.25 4.11 2.20 0.21 -1.16 119.74 130.90 1bkx s LYS 72 Ca -0.00 1.45 -0.04 0.00 -0.36 0.00 0.00 55.97 57.03 1bkx s LYS 72 Cb -0.19 -3.41 0.08 0.00 -1.51 0.00 0.00 37.83 32.81 1bkx s LYS 72 CO 0.02 0.08 0.10 0.96 -0.36 0.00 0.00 175.35 176.15 1bkx s ILE 73 N 0.49 0.15 -0.09 5.43 -4.36 -0.45 -1.54 121.20 120.83 1bkx s ILE 73 Ca 0.50 -0.68 -0.16 0.00 -0.26 0.00 0.00 60.65 60.04 1bkx s ILE 73 Cb -0.23 -0.99 -0.05 0.00 1.25 0.00 0.00 42.46 42.44 1bkx s ILE 73 CO 0.29 -0.54 0.40 -0.76 0.24 0.00 0.00 174.94 174.57 1bkx s LEU 74 N 2.00 4.34 -0.12 0.37 1.02 0.11 -2.26 118.68 124.13 1bkx s LEU 74 Ca 0.06 0.78 -0.27 0.00 0.02 0.00 0.00 54.13 54.72 1bkx s LEU 74 Cb -0.16 -2.57 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 1bkx s LEU 74 CO -0.24 0.14 0.90 -0.62 0.02 0.00 0.00 176.35 176.55 1bkx s ASP 75 N -0.02 7.11 0.43 2.29 2.15 -1.23 0.22 116.67 127.61 1bkx s ASP 75 Ca 0.23 1.36 0.24 0.00 0.43 0.00 0.00 52.55 54.80 1bkx s ASP 75 Cb -0.15 -2.50 1.24 0.00 -0.30 0.00 0.00 42.92 41.21 1bkx s ASP 75 CO 0.10 -0.39 1.74 0.11 -0.17 0.00 0.00 175.17 176.56 1bkx h LYS 76 N 7.15 0.26 0.00 4.34 1.57 -1.19 0.14 116.57 128.85 1bkx h LYS 76 Ca -0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1bkx h LYS 76 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1bkx h LYS 76 CO 0.83 0.17 -0.31 1.96 -0.57 0.00 0.00 179.45 181.53 1bkx h GLN 77 N 0.27 0.00 0.00 3.15 4.20 -1.92 -3.27 115.11 117.55 1bkx h GLN 77 Ca 0.65 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.36 1bkx h GLN 77 Cb 1.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.65 1bkx h GLN 77 CO -0.29 0.00 -0.96 1.17 -0.67 0.00 0.00 178.83 178.08 1bkx n LYS 78 N -2.33 0.55 0.03 1.46 4.81 0.02 -3.92 118.16 118.79 1bkx n LYS 78 Ca 0.04 0.11 0.13 0.00 -0.87 0.00 0.00 58.31 57.72 1bkx n LYS 78 Cb 0.45 -1.80 0.42 0.00 0.02 0.00 0.00 35.03 34.12 1bkx n LYS 78 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1bkx n VAL 79 N -2.57 0.18 -0.06 3.15 0.24 -1.13 -3.86 118.33 114.27 1bkx n VAL 79 Ca 0.00 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.34 61.99 1bkx n VAL 79 Cb 0.53 -0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 32.50 1bkx n VAL 79 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1bkx h VAL 80 N 0.00 0.82 -0.87 3.34 2.07 -1.68 0.27 116.25 120.20 1bkx h VAL 80 Ca 0.00 -2.24 0.25 0.00 0.82 0.00 0.00 66.70 65.53 1bkx h VAL 80 Cb 0.59 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1bkx h VAL 80 CO 0.00 0.53 0.80 0.11 0.02 0.00 0.00 177.57 179.03 1bkx h LYS 81 N -0.60 0.00 -0.24 1.57 1.57 -1.68 1.80 116.57 118.98 1bkx h LYS 81 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1bkx h LYS 81 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 1bkx h LYS 81 CO -0.10 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.06 1bkx n LEU 82 N -3.75 3.49 0.00 2.94 4.77 -1.25 -4.96 117.00 118.24 1bkx n LEU 82 Ca 0.18 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1bkx n LEU 82 Cb 1.10 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1bkx n LEU 82 CO 0.31 0.68 0.00 0.29 -1.33 0.00 0.00 177.39 177.34 1bkx n LYS 83 N -0.42 -1.44 0.00 3.23 4.01 0.61 -4.63 118.16 119.52 1bkx n LYS 83 Ca 0.18 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1bkx n LYS 83 Cb 0.76 -2.32 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 1bkx n LYS 83 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1bkx n GLN 84 N 0.27 0.00 0.44 1.97 1.13 0.90 -2.69 117.38 119.40 1bkx n GLN 84 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 1bkx n GLN 84 Cb 0.03 -1.14 -0.08 0.00 0.11 0.00 0.00 30.24 29.16 1bkx n GLN 84 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1bkx h ILE 85 N 0.00 0.00 -0.98 5.09 2.04 -1.82 0.55 117.51 122.39 1bkx h ILE 85 Ca 0.00 -0.11 0.34 0.00 1.00 0.00 0.00 64.86 66.10 1bkx h ILE 85 Cb 0.00 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 35.90 1bkx h ILE 85 CO 0.00 0.00 0.29 -0.62 0.00 0.00 0.00 178.15 177.82 1bkx n GLU 86 N -5.32 -0.07 0.00 2.37 -0.58 -1.09 -1.73 120.64 114.22 1bkx n GLU 86 Ca -0.14 1.41 0.00 0.00 -0.42 0.00 0.00 57.16 58.01 1bkx n GLU 86 Cb 0.44 -2.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1bkx n GLU 86 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1bkx n HIS 87 N -5.34 0.00 0.12 -0.32 8.25 -1.07 -3.79 115.22 113.07 1bkx n HIS 87 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1bkx n HIS 87 Cb 1.02 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1bkx n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1bkx n THR 88 N -1.36 0.00 -0.05 1.59 -1.04 0.19 0.15 114.28 113.76 1bkx n THR 88 Ca 0.00 0.48 -0.14 0.00 -2.04 0.00 0.00 64.05 62.35 1bkx n THR 88 Cb 0.00 -1.07 -0.14 0.00 -1.82 0.00 0.00 70.33 67.30 1bkx n THR 88 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bkx n LEU 89 N -1.26 1.44 0.07 -4.42 4.77 -0.87 -4.05 117.00 112.67 1bkx n LEU 89 Ca 0.00 0.16 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1bkx n LEU 89 Cb 0.48 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1bkx n LEU 89 CO 0.00 0.62 0.13 -0.55 -1.33 0.00 0.00 177.39 176.27 1bkx h ASN 90 N 0.02 0.00 -0.92 -1.43 7.08 0.13 -1.80 115.58 118.66 1bkx h ASN 90 Ca -0.44 0.00 0.07 0.00 -3.08 0.00 0.00 56.30 52.86 1bkx h ASN 90 Cb 2.06 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 38.24 1bkx h ASN 90 CO 0.04 0.89 0.60 -0.08 -2.08 0.00 0.00 177.43 176.80 1bkx h GLU 91 N 0.00 0.99 0.43 4.14 4.81 -1.72 1.24 114.58 124.47 1bkx h GLU 91 Ca -0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1bkx h GLU 91 Cb 1.71 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1bkx h GLU 91 CO 0.11 0.65 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.62 1bkx h LYS 92 N 1.02 -0.56 -0.61 1.92 3.64 -1.69 -1.79 116.57 118.50 1bkx h LYS 92 Ca 0.41 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.99 1bkx h LYS 92 Cb 0.26 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1bkx h LYS 92 CO -0.16 -0.25 0.43 -0.09 -2.27 0.00 0.00 179.45 177.11 1bkx h ARG 93 N -0.94 0.07 0.10 1.90 2.43 -0.39 0.99 114.38 118.54 1bkx h ARG 93 Ca -0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1bkx h ARG 93 Cb 0.57 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1bkx h ARG 93 CO 0.10 0.05 -0.05 0.82 -1.51 0.00 0.00 179.97 179.38 1bkx h ILE 94 N 0.07 0.00 -1.01 1.20 2.04 0.15 -2.93 117.51 117.04 1bkx h ILE 94 Ca 0.29 -0.70 0.26 0.00 1.00 0.00 0.00 64.86 65.71 1bkx h ILE 94 Cb 1.06 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1bkx h ILE 94 CO -0.02 0.00 0.67 -0.07 0.00 0.00 0.00 178.15 178.72 1bkx h LEU 95 N -0.83 0.35 -1.34 1.44 -0.00 -1.06 2.67 115.31 116.55 1bkx h LEU 95 Ca -0.01 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.87 1bkx h LEU 95 Cb 0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1bkx h LEU 95 CO 0.02 0.09 -0.27 -0.61 -0.00 0.00 0.00 178.44 177.67 1bkx h GLN 96 N 0.32 0.00 0.00 1.13 -0.00 -0.90 -3.35 115.11 112.31 1bkx h GLN 96 Ca 0.54 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 59.05 1bkx h GLN 96 Cb 1.51 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.97 1bkx h GLN 96 CO -0.20 0.27 -1.53 0.00 0.00 0.00 0.00 178.83 177.37 1bkx n ALA 97 N -2.31 1.80 -1.35 3.38 0.00 0.19 -4.87 120.51 117.35 1bkx n ALA 97 Ca -0.01 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 1bkx n ALA 97 Cb 0.39 0.20 0.06 0.00 0.00 0.00 0.00 19.45 20.10 1bkx n ALA 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1bkx n VAL 98 N -2.57 2.19 -3.33 0.00 3.14 0.84 -4.61 118.33 113.98 1bkx n VAL 98 Ca -0.15 -0.43 0.02 0.00 -2.96 0.00 0.00 64.34 60.83 1bkx n VAL 98 Cb 0.71 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.66 1bkx n VAL 98 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1bkx s ASN 99 N -1.41 -0.96 -0.30 6.55 2.47 -1.26 -4.88 114.94 115.15 1bkx s ASN 99 Ca 0.68 0.92 -0.28 0.00 0.42 0.00 0.00 52.86 54.60 1bkx s ASN 99 Cb -0.37 1.94 0.20 0.00 -1.45 0.00 0.00 41.25 41.56 1bkx s ASN 99 CO 0.55 -0.18 1.40 0.12 -3.72 0.00 0.00 177.10 175.27 1bkx s PHE 100 N 2.79 -0.02 0.14 0.43 5.36 -1.26 -5.05 117.98 120.38 1bkx s PHE 100 Ca 0.05 0.03 -0.20 0.00 -0.96 0.00 0.00 56.93 55.84 1bkx s PHE 100 Cb -0.11 0.50 0.02 0.00 -0.34 0.00 0.00 43.02 43.08 1bkx s PHE 100 CO -0.18 -0.01 1.67 -1.35 -1.46 0.00 0.00 175.22 173.89 1bkx h PRO 101 N 2.23 -0.09 -0.01 10.12 0.11 -1.97 -1.81 132.00 140.58 1bkx h PRO 101 Ca -0.11 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1bkx h PRO 101 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1bkx h PRO 101 CO 0.21 -0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.13 1bkx n PHE 102 N -5.29 0.01 -3.76 0.65 3.72 -1.26 -4.76 117.46 106.77 1bkx n PHE 102 Ca -0.01 -0.01 -0.37 0.00 -0.05 0.00 0.00 57.45 57.01 1bkx n PHE 102 Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 1bkx n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1bkx s LEU 103 N -1.69 4.40 0.12 4.37 1.02 -0.68 -1.76 118.68 124.45 1bkx s LEU 103 Ca 0.33 0.59 -0.31 0.00 0.02 0.00 0.00 54.13 54.76 1bkx s LEU 103 Cb 0.15 -2.21 -0.08 0.00 0.02 0.00 0.00 46.19 44.07 1bkx s LEU 103 CO 0.26 0.36 1.44 0.54 0.02 0.00 0.00 176.35 178.97 1bkx s VAL 104 N -0.91 3.17 0.09 -1.59 0.11 -1.16 -4.81 120.40 115.30 1bkx s VAL 104 Ca 0.17 0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 59.74 1bkx s VAL 104 Cb -0.13 -3.53 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 1bkx s VAL 104 CO 0.06 0.06 1.17 -0.54 -3.33 0.00 0.00 175.10 172.52 1bkx s LYS 105 N 1.21 4.47 -0.20 1.54 3.01 -1.26 -4.93 119.74 123.58 1bkx s LYS 105 Ca 0.66 1.76 -0.13 0.00 -1.01 0.00 0.00 55.97 57.25 1bkx s LYS 105 Cb -0.38 -3.33 -0.04 0.00 -1.01 0.00 0.00 37.83 33.07 1bkx s LYS 105 CO 0.30 -0.17 0.29 -1.17 0.51 0.00 0.00 175.35 175.11 1bkx s LEU 106 N 0.65 4.17 -0.25 3.17 2.96 -1.26 -0.28 118.68 127.85 1bkx s LEU 106 Ca 0.56 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1bkx s LEU 106 Cb -0.30 -2.34 -0.16 0.00 0.50 0.00 0.00 46.19 43.90 1bkx s LEU 106 CO 0.31 0.02 -0.21 -0.62 -1.32 0.00 0.00 176.35 174.53 1bkx n GLU 107 N 4.13 0.62 -3.78 1.98 -0.58 0.13 -4.95 120.64 118.18 1bkx n GLU 107 Ca -0.12 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.66 1bkx n GLU 107 Cb 0.52 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 1bkx n GLU 107 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1bkx s PHE 108 N -2.49 -0.04 -0.16 -0.32 0.40 -1.13 -5.03 117.98 109.21 1bkx s PHE 108 Ca -0.33 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 55.77 1bkx s PHE 108 Cb 0.08 0.06 0.07 0.00 0.51 0.00 0.00 43.02 43.74 1bkx s PHE 108 CO 0.57 -0.51 0.35 -1.54 0.70 0.00 0.00 175.22 174.79 1bkx s SER 109 N -2.25 -0.13 0.14 1.36 1.04 -1.26 -1.68 113.70 110.91 1bkx s SER 109 Ca -0.03 0.80 -0.04 0.00 0.48 0.00 0.00 55.95 57.16 1bkx s SER 109 Cb 0.00 0.91 -0.03 0.00 0.10 0.00 0.00 66.02 67.01 1bkx s SER 109 CO -0.05 -0.22 0.13 0.72 0.98 0.00 0.00 173.24 174.80 1bkx s PHE 110 N 2.12 0.69 0.06 5.02 -0.12 -1.09 -1.54 117.98 123.12 1bkx s PHE 110 Ca -0.04 -1.07 0.03 0.00 -0.05 0.00 0.00 56.93 55.80 1bkx s PHE 110 Cb -0.11 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 1bkx s PHE 110 CO -0.11 -0.58 -0.09 -1.59 -0.05 0.00 0.00 175.22 172.80 1bkx s LYS 111 N -4.02 0.63 -0.02 1.99 -2.85 -1.26 -1.91 119.74 112.31 1bkx s LYS 111 Ca 0.21 -0.87 0.01 0.00 -1.00 0.00 0.00 55.97 54.32 1bkx s LYS 111 Cb 0.06 -0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.44 1bkx s LYS 111 CO 0.01 0.07 -0.03 0.16 0.10 0.00 0.00 175.35 175.66 1bkx s ASP 112 N -1.79 0.49 0.00 0.03 1.47 -1.09 -5.02 116.67 110.75 1bkx s ASP 112 Ca -0.06 -0.06 0.00 0.00 1.18 0.00 0.00 52.55 53.61 1bkx s ASP 112 Cb -0.08 -0.16 0.00 0.00 -0.34 0.00 0.00 42.92 42.34 1bkx s ASP 112 CO 0.00 -0.02 0.00 0.59 0.68 0.00 0.00 175.17 176.43 1bkx n ASN 113 N 3.52 0.00 -0.09 2.11 5.03 -1.26 -1.47 115.26 123.10 1bkx n ASN 113 Ca -0.19 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.02 1bkx n ASN 113 Cb 0.55 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.19 1bkx n ASN 113 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1bkx n SER 114 N 0.00 1.94 -4.15 6.41 7.64 -1.26 -2.39 113.62 121.80 1bkx n SER 114 Ca 0.00 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 60.11 1bkx n SER 114 Cb 0.00 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.21 1bkx n SER 114 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1bkx s ASN 115 N -7.00 0.74 0.12 6.43 2.20 -0.54 -0.63 114.94 116.26 1bkx s ASN 115 Ca -0.30 -1.09 0.00 0.00 -0.94 0.00 0.00 52.86 50.54 1bkx s ASN 115 Cb 0.08 0.18 -0.04 0.00 -2.00 0.00 0.00 41.25 39.47 1bkx s ASN 115 CO 0.61 -0.60 0.28 -0.76 -2.94 0.00 0.00 177.10 173.69 1bkx s LEU 116 N -3.03 4.33 -0.04 3.54 1.43 0.60 -2.69 118.68 122.82 1bkx s LEU 116 Ca 0.16 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1bkx s LEU 116 Cb 0.07 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1bkx s LEU 116 CO -0.03 0.08 -0.03 -0.31 0.23 0.00 0.00 176.35 176.29 1bkx s TYR 117 N -1.66 0.62 -0.11 0.29 1.51 -0.80 -0.72 117.35 116.48 1bkx s TYR 117 Ca 0.36 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1bkx s TYR 117 Cb -0.12 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.12 1bkx s TYR 117 CO 0.28 -0.18 -0.16 -1.64 -1.11 0.00 0.00 175.55 172.74 1bkx s MET 118 N 0.96 3.18 -0.37 -0.62 -1.94 -0.59 -2.66 119.30 117.26 1bkx s MET 118 Ca -0.10 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1bkx s MET 118 Cb -0.14 -2.51 0.11 0.00 2.01 0.00 0.00 34.83 34.30 1bkx s MET 118 CO -0.00 0.26 0.12 0.08 -0.01 0.00 0.00 175.02 175.47 1bkx s VAL 119 N 0.21 1.76 0.89 -6.03 1.01 -0.68 0.63 120.40 118.19 1bkx s VAL 119 Ca -0.10 -2.23 -0.10 0.00 0.00 0.00 0.00 61.98 59.55 1bkx s VAL 119 Cb -0.16 -2.29 0.19 0.00 0.00 0.00 0.00 36.38 34.13 1bkx s VAL 119 CO 0.06 -0.70 1.22 -0.04 0.00 0.00 0.00 175.10 175.64 1bkx s MET 120 N 0.87 0.86 0.48 2.72 -1.94 0.98 0.19 119.30 123.46 1bkx s MET 120 Ca 0.12 -0.80 -0.19 0.00 -1.71 0.00 0.00 55.69 53.12 1bkx s MET 120 Cb -0.20 -2.03 -0.09 0.00 2.01 0.00 0.00 34.83 34.52 1bkx s MET 120 CO -0.11 -2.16 0.98 -2.00 -0.01 0.00 0.00 175.02 171.73 1bkx s GLU 121 N -5.64 4.00 -0.50 2.03 2.12 0.62 -1.44 118.70 119.88 1bkx s GLU 121 Ca 0.73 1.10 -0.17 0.00 0.36 0.00 0.00 54.97 56.98 1bkx s GLU 121 Cb -0.03 -2.14 0.08 0.00 0.26 0.00 0.00 34.13 32.29 1bkx s GLU 121 CO 0.50 -0.23 0.52 -0.47 -0.54 0.00 0.00 175.26 175.04 1bkx s TYR 122 N -2.34 3.15 -0.70 5.30 5.04 -1.26 -4.56 117.35 121.98 1bkx s TYR 122 Ca 0.62 -0.84 -0.24 0.00 -2.44 0.00 0.00 57.07 54.17 1bkx s TYR 122 Cb -0.11 -3.45 0.06 0.00 0.35 0.00 0.00 41.96 38.81 1bkx s TYR 122 CO 0.22 -0.95 1.08 0.14 -1.34 0.00 0.00 175.55 174.70 1bkx s VAL 123 N 2.08 4.15 0.05 3.14 -7.23 -1.26 -4.90 120.40 116.42 1bkx s VAL 123 Ca 0.08 -0.19 -0.26 0.00 -1.81 0.00 0.00 61.98 59.81 1bkx s VAL 123 Cb -0.23 -4.77 -0.17 0.00 0.56 0.00 0.00 36.38 31.77 1bkx s VAL 123 CO 0.08 -1.59 1.51 0.00 -0.31 0.00 0.00 175.10 174.79 1bkx h ALA 124 N 9.68 -0.25 -0.75 1.32 0.00 -1.91 -3.32 119.26 124.03 1bkx h ALA 124 Ca -0.26 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 54.75 1bkx h ALA 124 Cb 1.06 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1bkx h ALA 124 CO 1.22 -0.56 0.94 0.41 0.00 0.00 0.00 179.25 181.26 1bkx n GLY 125 N -0.73 -0.58 0.00 0.00 0.00 -0.50 -4.65 105.19 98.74 1bkx n GLY 125 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1bkx n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bkx n GLY 126 N -1.49 1.44 3.76 -0.02 0.00 -1.21 -4.76 105.19 102.91 1bkx n GLY 126 Ca 0.17 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1bkx n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bkx s GLU 127 N -3.43 3.58 0.06 1.61 -1.05 -1.26 -1.45 118.70 116.76 1bkx s GLU 127 Ca 0.00 2.14 -0.24 0.00 -0.15 0.00 0.00 54.97 56.73 1bkx s GLU 127 Cb 0.00 -2.49 -0.16 0.00 -0.44 0.00 0.00 34.13 31.04 1bkx s GLU 127 CO 0.00 -0.81 1.61 1.98 0.95 0.00 0.00 175.26 179.00 1bkx h MET 128 N 2.05 0.01 -1.19 -4.83 1.85 0.74 -2.98 114.93 110.59 1bkx h MET 128 Ca -0.50 -0.00 0.38 0.00 -0.61 0.00 0.00 59.70 58.96 1bkx h MET 128 Cb 1.27 -0.00 -0.08 0.00 0.43 0.00 0.00 31.60 33.21 1bkx h MET 128 CO 0.60 0.14 0.81 0.34 -0.40 0.00 0.00 176.91 178.40 1bkx n PHE 129 N -5.02 0.30 -0.07 1.39 -0.00 -0.39 -1.32 117.46 112.35 1bkx n PHE 129 Ca -0.07 0.31 -0.11 0.00 -0.00 0.00 0.00 57.45 57.57 1bkx n PHE 129 Cb 0.09 -0.69 -0.09 0.00 -0.00 0.00 0.00 39.48 38.79 1bkx n PHE 129 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1bkx h SER 130 N 0.00 0.00 -0.63 -2.13 4.64 -1.82 -2.85 113.55 110.76 1bkx h SER 130 Ca 0.66 -0.60 0.11 0.00 -0.47 0.00 0.00 61.79 61.49 1bkx h SER 130 Cb 2.35 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.36 1bkx h SER 130 CO -0.20 0.92 0.19 0.45 -0.87 0.00 0.00 176.83 177.31 1bkx h HIS 131 N -1.00 0.31 -0.53 4.77 3.86 -1.31 0.32 115.15 121.57 1bkx h HIS 131 Ca -0.05 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.30 1bkx h HIS 131 Cb 0.75 -0.04 -0.11 0.00 1.06 0.00 0.00 27.41 29.07 1bkx h HIS 131 CO 0.15 0.02 -0.20 1.25 0.86 0.00 0.00 177.93 180.01 1bkx h LEU 132 N 0.33 -0.70 -0.79 2.43 5.85 -1.48 0.58 115.31 121.53 1bkx h LEU 132 Ca 0.33 0.18 -0.13 0.00 0.84 0.00 0.00 57.88 59.10 1bkx h LEU 132 Cb 0.47 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1bkx h LEU 132 CO -0.37 -0.23 -0.60 0.03 -0.34 0.00 0.00 178.44 176.93 1bkx h ARG 133 N -0.07 0.00 0.43 1.25 2.47 -0.49 -0.82 114.38 117.15 1bkx h ARG 133 Ca 0.25 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 1bkx h ARG 133 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1bkx h ARG 133 CO -0.58 0.60 -0.20 -0.09 0.56 0.00 0.00 179.97 180.25 1bkx h ARG 134 N 0.00 -0.55 -0.94 0.04 2.43 0.14 -3.33 114.38 112.16 1bkx h ARG 134 Ca -0.01 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 1bkx h ARG 134 Cb 1.07 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 1bkx h ARG 134 CO 0.08 -0.37 0.57 0.82 -1.51 0.00 0.00 179.97 179.56 1bkx h ILE 135 N -0.94 0.89 0.00 1.20 2.04 0.03 -3.47 117.51 117.26 1bkx h ILE 135 Ca -0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1bkx h ILE 135 Cb 0.44 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1bkx h ILE 135 CO 0.10 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1bkx n GLY 136 N -1.34 3.36 3.73 5.37 0.00 -0.31 -5.01 105.19 110.99 1bkx n GLY 136 Ca 0.18 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 1bkx n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bkx s ARG 137 N 0.00 0.83 0.12 1.61 1.70 -1.25 -3.85 118.95 118.12 1bkx s ARG 137 Ca 0.00 -0.48 0.05 0.00 -0.47 0.00 0.00 55.73 54.84 1bkx s ARG 137 Cb 0.00 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1bkx s ARG 137 CO 0.00 -0.38 0.04 -0.06 -1.08 0.00 0.00 175.30 173.81 1bkx s PHE 138 N -2.72 3.01 -0.09 5.89 0.08 0.16 -4.98 117.98 119.33 1bkx s PHE 138 Ca 0.15 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 1bkx s PHE 138 Cb 0.01 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1bkx s PHE 138 CO -0.00 0.50 1.03 -1.54 -0.10 0.00 0.00 175.22 175.11 1bkx s SER 139 N -2.63 7.22 0.08 1.36 1.04 -1.26 -4.48 113.70 115.04 1bkx s SER 139 Ca 0.28 1.58 0.05 0.00 0.48 0.00 0.00 55.95 58.33 1bkx s SER 139 Cb -0.11 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.75 1bkx s SER 139 CO 0.20 -0.46 0.34 -0.62 0.98 0.00 0.00 173.24 173.68 1bkx n GLU 140 N 4.99 -0.01 0.14 4.02 1.02 -1.26 0.22 120.64 129.76 1bkx n GLU 140 Ca 0.09 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1bkx n GLU 140 Cb 0.48 -0.54 -0.07 0.00 -0.02 0.00 0.00 31.44 31.30 1bkx n GLU 140 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1bkx h PRO 141 N 0.00 -0.39 0.00 3.49 0.11 -1.98 -1.18 132.00 132.06 1bkx h PRO 141 Ca 0.18 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1bkx h PRO 141 Cb 0.50 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1bkx h PRO 141 CO -0.16 -0.05 0.00 1.58 -0.21 0.00 0.00 178.00 179.16 1bkx n HIS 142 N -5.08 0.00 -0.33 0.65 -0.00 0.61 0.12 115.22 111.19 1bkx n HIS 142 Ca -0.09 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.16 1bkx n HIS 142 Cb 0.27 -0.49 0.14 0.00 -0.12 0.00 0.00 29.99 29.79 1bkx n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bkx n ALA 143 N -2.89 0.25 0.12 1.57 0.00 -0.99 0.18 120.51 118.76 1bkx n ALA 143 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.30 1bkx n ALA 143 Cb 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 1bkx n ALA 143 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bkx h ARG 144 N 0.00 -0.53 -0.84 0.00 2.43 0.10 -0.59 114.38 114.95 1bkx h ARG 144 Ca 0.45 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.81 1bkx h ARG 144 Cb 0.72 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.24 1bkx h ARG 144 CO -0.93 -0.36 -0.24 0.34 -1.51 0.00 0.00 179.97 177.27 1bkx n PHE 145 N -5.42 0.22 0.19 2.20 7.35 0.31 -0.69 117.46 121.63 1bkx n PHE 145 Ca -0.07 1.03 -0.08 0.00 -0.76 0.00 0.00 57.45 57.57 1bkx n PHE 145 Cb 0.33 -0.94 -0.04 0.00 0.35 0.00 0.00 39.48 39.19 1bkx n PHE 145 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1bkx h TYR 146 N 0.00 -0.46 -0.89 -5.13 0.05 -1.07 -3.25 116.97 106.22 1bkx h TYR 146 Ca 0.37 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.31 1bkx h TYR 146 Cb 0.58 0.15 -0.16 0.00 1.01 0.00 0.00 36.73 38.31 1bkx h TYR 146 CO -0.67 -0.29 -0.25 0.00 -1.05 0.00 0.00 178.16 175.90 1bkx n ALA 147 N -2.34 0.13 0.16 3.88 0.00 -0.31 0.42 120.51 122.46 1bkx n ALA 147 Ca -0.06 0.96 0.18 0.00 0.00 0.00 0.00 53.44 54.52 1bkx n ALA 147 Cb 0.20 -0.54 0.72 0.00 0.00 0.00 0.00 19.45 19.83 1bkx n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkx h ALA 148 N 1.65 1.91 0.07 0.00 0.00 -0.94 0.58 119.26 122.51 1bkx h ALA 148 Ca 0.40 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.00 1bkx h ALA 148 Cb 0.62 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1bkx h ALA 148 CO -0.91 -0.63 -1.62 1.96 0.00 0.00 0.00 179.25 178.05 1bkx h GLN 149 N 0.00 0.14 -0.04 0.00 4.20 0.86 -3.11 115.11 117.15 1bkx h GLN 149 Ca 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1bkx h GLN 149 Cb 1.09 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1bkx h GLN 149 CO -0.00 0.90 -0.01 0.82 -0.67 0.00 0.00 178.83 179.87 1bkx h ILE 150 N 0.04 1.29 0.18 2.54 5.03 -0.21 -0.61 117.51 125.77 1bkx h ILE 150 Ca -0.27 -0.90 0.01 0.00 -0.12 0.00 0.00 64.86 63.58 1bkx h ILE 150 Cb 1.99 1.81 -0.04 0.00 -3.03 0.00 0.00 36.82 37.55 1bkx h ILE 150 CO 0.12 0.24 -0.50 0.58 -0.68 0.00 0.00 178.15 177.92 1bkx h VAL 151 N -0.26 0.05 -0.70 1.67 2.07 -1.24 1.23 116.25 119.06 1bkx h VAL 151 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 1bkx h VAL 151 Cb 0.40 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 1bkx h VAL 151 CO 0.00 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.70 1bkx h LEU 152 N -0.77 0.04 0.46 2.57 4.07 -1.60 0.20 115.31 120.29 1bkx h LEU 152 Ca -0.01 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1bkx h LEU 152 Cb 0.76 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1bkx h LEU 152 CO -0.24 -0.01 -0.30 0.74 -1.08 0.00 0.00 178.44 177.55 1bkx h THR 153 N 0.29 0.38 0.00 0.22 2.02 0.11 0.15 112.91 116.08 1bkx h THR 153 Ca 0.39 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.53 1bkx h THR 153 Cb 0.63 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1bkx h THR 153 CO -0.47 0.00 -0.16 -0.26 0.37 0.00 0.00 175.52 175.00 1bkx h PHE 154 N -0.74 0.00 0.69 3.16 -1.00 0.18 0.12 116.94 119.35 1bkx h PHE 154 Ca -0.05 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1bkx h PHE 154 Cb 0.61 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.18 1bkx h PHE 154 CO -0.11 0.16 -0.33 1.49 -1.61 0.00 0.00 178.31 177.91 1bkx h GLU 155 N 0.00 -0.90 0.02 1.51 4.81 0.06 -0.83 114.58 119.25 1bkx h GLU 155 Ca -0.00 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1bkx h GLU 155 Cb 0.38 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1bkx h GLU 155 CO 0.02 -0.57 -0.44 -0.92 -0.73 0.00 0.00 179.01 176.37 1bkx h TYR 156 N -1.02 -1.28 0.00 0.92 5.03 -0.12 -2.81 116.97 117.69 1bkx h TYR 156 Ca -0.10 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1bkx h TYR 156 Cb 0.74 0.56 0.00 0.00 1.55 0.00 0.00 36.73 39.57 1bkx h TYR 156 CO -0.01 -0.47 0.00 1.28 -1.32 0.00 0.00 178.16 177.63 1bkx n LEU 157 N -4.91 0.00 -0.23 2.82 4.77 0.35 -2.87 117.00 116.94 1bkx n LEU 157 Ca -0.06 0.62 0.19 0.00 -0.03 0.00 0.00 56.01 56.73 1bkx n LEU 157 Cb 0.33 -0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.61 1bkx n LEU 157 CO 0.10 -0.12 0.57 1.41 -1.33 0.00 0.00 177.39 178.03 1bkx n HIS 158 N -1.11 0.26 0.33 -1.77 8.25 -0.32 0.28 115.22 121.15 1bkx n HIS 158 Ca 0.00 0.26 0.08 0.00 -0.26 0.00 0.00 57.72 57.80 1bkx n HIS 158 Cb 0.00 -0.60 0.38 0.00 1.12 0.00 0.00 29.99 30.89 1bkx n HIS 158 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bkx n SER 159 N -3.42 0.34 -0.64 0.41 3.41 -1.06 -2.31 113.62 110.34 1bkx n SER 159 Ca 0.18 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.48 1bkx n SER 159 Cb 0.74 -0.67 0.22 0.00 -0.26 0.00 0.00 64.21 64.24 1bkx n SER 159 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bkx n LEU 160 N -1.90 3.41 -3.60 1.04 4.32 0.81 -4.95 117.00 116.13 1bkx n LEU 160 Ca 0.02 -3.08 -0.24 0.00 -0.02 0.00 0.00 56.01 52.69 1bkx n LEU 160 Cb 0.15 -0.51 0.08 0.00 -1.62 0.00 0.00 43.42 41.51 1bkx n LEU 160 CO 0.13 0.71 0.23 0.47 -1.22 0.00 0.00 177.39 177.71 1bkx n ASP 161 N -0.83 -5.90 -3.95 -1.43 8.00 -0.98 -4.78 116.55 106.69 1bkx n ASP 161 Ca 0.20 -0.56 -0.31 0.00 0.71 0.00 0.00 54.79 54.83 1bkx n ASP 161 Cb 0.82 -4.98 -0.15 0.00 -0.02 0.00 0.00 41.12 36.79 1bkx n ASP 161 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bkx s LEU 162 N -7.23 4.17 0.73 0.64 1.43 -1.26 0.32 118.68 117.49 1bkx s LEU 162 Ca 0.54 -2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 51.42 1bkx s LEU 162 Cb -0.24 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1bkx s LEU 162 CO 0.74 -0.38 1.18 -0.63 0.23 0.00 0.00 176.35 177.48 1bkx s ILE 163 N 1.03 2.48 -0.24 -0.59 1.01 -1.17 -3.92 121.20 119.79 1bkx s ILE 163 Ca 0.11 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.02 1bkx s ILE 163 Cb -0.19 -2.74 -0.19 0.00 0.01 0.00 0.00 42.46 39.36 1bkx s ILE 163 CO -0.12 -0.14 -0.14 0.00 0.00 0.00 0.00 174.94 174.55 1bkx n TYR 164 N -2.82 0.08 -0.06 3.97 9.36 -1.26 -3.37 117.16 123.06 1bkx n TYR 164 Ca 0.13 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.36 1bkx n TYR 164 Cb 0.51 -1.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.21 1bkx n TYR 164 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bkx n ARG 165 N -3.19 0.00 -3.04 2.98 1.74 -1.26 -3.25 116.66 110.64 1bkx n ARG 165 Ca -0.43 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.47 1bkx n ARG 165 Cb 1.02 -2.91 -0.02 0.00 -1.02 0.00 0.00 32.46 29.53 1bkx n ARG 165 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1bkx n ASP 166 N 0.00 -0.74 -4.71 0.55 2.03 -1.26 -4.47 116.55 107.96 1bkx n ASP 166 Ca 0.00 -2.97 -0.38 0.00 0.52 0.00 0.00 54.79 51.96 1bkx n ASP 166 Cb 0.00 0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.54 1bkx n ASP 166 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1bkx s LEU 167 N -1.30 4.24 0.06 -2.67 2.96 -1.26 -4.94 118.68 115.77 1bkx s LEU 167 Ca 0.34 0.75 -0.28 0.00 -0.22 0.00 0.00 54.13 54.72 1bkx s LEU 167 Cb 0.22 -2.67 0.09 0.00 0.50 0.00 0.00 46.19 44.33 1bkx s LEU 167 CO -0.14 -0.04 1.11 -1.59 -1.32 0.00 0.00 176.35 174.38 1bkx s LYS 168 N 0.86 0.79 0.44 1.98 -2.85 -1.26 -4.90 119.74 114.80 1bkx s LYS 168 Ca 0.25 -0.43 0.22 0.00 -1.00 0.00 0.00 55.97 55.01 1bkx s LYS 168 Cb -0.15 0.28 0.99 0.00 -2.06 0.00 0.00 37.83 36.88 1bkx s LYS 168 CO 0.10 -0.36 1.87 -1.35 0.10 0.00 0.00 175.35 175.71 1bkx h PRO 169 N 2.00 0.00 0.00 1.78 0.11 -1.96 -1.81 132.00 132.11 1bkx h PRO 169 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bkx h PRO 169 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1bkx h PRO 169 CO 0.27 0.26 0.00 0.93 -0.21 0.00 0.00 178.00 179.24 1bkx h GLU 170 N 0.00 0.00 -0.03 1.05 3.07 -1.94 -0.94 114.58 115.79 1bkx h GLU 170 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1bkx h GLU 170 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1bkx h GLU 170 CO 0.03 0.00 -0.11 0.09 -1.40 0.00 0.00 179.01 177.63 1bkx n ASN 171 N -2.71 2.72 -4.24 1.42 4.13 -0.70 -4.72 115.26 111.16 1bkx n ASN 171 Ca 0.02 -1.87 -0.43 0.00 1.68 0.00 0.00 54.58 53.98 1bkx n ASN 171 Cb 0.30 0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.59 1bkx n ASN 171 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bkx s LEU 172 N -2.11 5.99 0.45 3.41 2.01 -1.01 -1.99 118.68 125.43 1bkx s LEU 172 Ca 0.26 -2.20 -0.10 0.00 0.01 0.00 0.00 54.13 52.10 1bkx s LEU 172 Cb 0.20 -2.08 -0.06 0.00 0.01 0.00 0.00 46.19 44.26 1bkx s LEU 172 CO 0.36 -0.66 0.82 -0.76 1.01 0.00 0.00 176.35 177.13 1bkx s LEU 173 N 0.93 3.72 -0.17 1.79 1.43 -0.33 0.86 118.68 126.92 1bkx s LEU 173 Ca 0.10 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1bkx s LEU 173 Cb -0.22 -4.09 -0.00 0.00 0.03 0.00 0.00 46.19 41.91 1bkx s LEU 173 CO -0.02 -0.50 -0.14 -0.63 0.23 0.00 0.00 176.35 175.30 1bkx s ILE 174 N -2.54 2.76 0.75 -0.59 1.01 -0.53 -2.34 121.20 119.73 1bkx s ILE 174 Ca 0.52 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1bkx s ILE 174 Cb -0.10 -2.18 0.11 0.00 0.01 0.00 0.00 42.46 40.29 1bkx s ILE 174 CO 0.36 0.50 1.05 1.51 0.00 0.00 0.00 174.94 178.36 1bkx s ASP 175 N 0.96 4.33 0.00 3.58 1.47 -1.07 -1.41 116.67 124.53 1bkx s ASP 175 Ca -0.02 0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.80 1bkx s ASP 175 Cb -0.15 -0.54 0.00 0.00 -0.34 0.00 0.00 42.92 41.89 1bkx s ASP 175 CO -0.02 -1.90 0.63 0.00 0.68 0.00 0.00 175.17 174.56 1bkx n GLN 176 N -3.03 0.00 -2.36 2.11 0.00 -1.26 -0.71 117.38 112.13 1bkx n GLN 176 Ca 0.12 0.14 -0.06 0.00 0.00 0.00 0.00 57.00 57.20 1bkx n GLN 176 Cb 0.60 -1.51 0.05 0.00 0.00 0.00 0.00 30.24 29.38 1bkx n GLN 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bkx n GLN 177 N -1.13 2.05 -0.20 2.61 10.64 -1.26 -4.85 117.38 125.24 1bkx n GLN 177 Ca 0.00 -3.52 0.00 0.00 -1.83 0.00 0.00 57.00 51.65 1bkx n GLN 177 Cb 0.01 -1.62 0.00 0.00 -0.86 0.00 0.00 30.24 27.77 1bkx n GLN 177 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bkx n GLY 178 N -0.54 0.00 3.82 2.61 0.00 0.11 -4.75 105.19 106.44 1bkx n GLY 178 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1bkx n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bkx s TYR 179 N -0.54 1.86 0.14 1.61 1.51 -1.26 -4.75 117.35 115.92 1bkx s TYR 179 Ca 0.00 0.58 0.09 0.00 -1.01 0.00 0.00 57.07 56.73 1bkx s TYR 179 Cb 0.00 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 38.14 1bkx s TYR 179 CO 0.00 -2.68 -0.21 0.96 -1.11 0.00 0.00 175.55 172.51 1bkx s ILE 180 N -3.48 1.88 -0.06 2.71 -4.36 -1.26 -2.59 121.20 114.03 1bkx s ILE 180 Ca 0.68 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1bkx s ILE 180 Cb -0.09 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.86 1bkx s ILE 180 CO 0.53 -0.15 -0.06 -1.10 0.24 0.00 0.00 174.94 174.40 1bkx s GLN 181 N -2.36 1.07 -0.10 0.37 -1.52 -0.99 -4.26 119.66 111.86 1bkx s GLN 181 Ca 0.12 -0.15 -0.16 0.00 -1.95 0.00 0.00 55.36 53.23 1bkx s GLN 181 Cb -0.08 -1.09 -0.05 0.00 -0.22 0.00 0.00 33.01 31.57 1bkx s GLN 181 CO 0.06 -0.13 0.40 0.54 -0.25 0.00 0.00 175.29 175.91 1bkx s VAL 182 N 1.20 5.19 0.53 1.09 0.11 -0.72 -1.18 120.40 126.62 1bkx s VAL 182 Ca -0.06 0.80 0.02 0.00 -2.93 0.00 0.00 61.98 59.81 1bkx s VAL 182 Cb -0.14 -3.73 0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1bkx s VAL 182 CO -0.02 0.40 0.12 0.28 -3.33 0.00 0.00 175.10 172.56 1bkx s THR 183 N 0.19 1.22 -0.52 5.04 -1.32 -0.84 -2.97 115.64 116.43 1bkx s THR 183 Ca 0.22 -1.85 -0.07 0.00 -1.21 0.00 0.00 61.69 58.78 1bkx s THR 183 Cb -0.15 -2.07 0.01 0.00 -1.51 0.00 0.00 72.50 68.78 1bkx s THR 183 CO 0.09 0.00 0.58 -0.67 -2.21 0.00 0.00 174.62 172.41 1bkx n ASP 184 N -1.44 -7.30 -0.80 8.08 2.03 -1.26 -4.87 116.55 110.99 1bkx n ASP 184 Ca -0.15 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1bkx n ASP 184 Cb 0.66 -4.93 0.06 0.00 -0.72 0.00 0.00 41.12 36.19 1bkx n ASP 184 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1bkx n PHE 185 N -0.98 0.36 0.26 -0.67 3.01 -1.26 -4.35 117.46 113.83 1bkx n PHE 185 Ca 0.06 -0.22 0.17 0.00 1.01 0.00 0.00 57.45 58.47 1bkx n PHE 185 Cb 0.46 -0.20 0.91 0.00 -0.01 0.00 0.00 39.48 40.64 1bkx n PHE 185 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1bkx h GLY 186 N 4.63 0.00 0.00 1.37 0.00 -1.92 -2.34 103.07 104.81 1bkx h GLY 186 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1bkx h GLY 186 CO 0.10 0.00 -1.23 0.69 0.00 0.00 0.00 176.54 176.09 1bkx n PHE 187 N -2.69 0.00 -0.81 5.60 3.72 -1.26 -4.73 117.46 117.30 1bkx n PHE 187 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 1bkx n PHE 187 Cb 0.06 -0.19 0.04 0.00 -0.94 0.00 0.00 39.48 38.45 1bkx n PHE 187 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bkx n ALA 188 N -1.72 -0.12 0.00 4.37 0.00 -0.88 -4.76 120.51 117.40 1bkx n ALA 188 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1bkx n ALA 188 Cb 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1bkx n ALA 188 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1bkx n LYS 189 N 1.48 0.00 -1.89 0.00 4.81 -1.22 -4.98 118.16 116.36 1bkx n LYS 189 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1bkx n LYS 189 Cb 0.35 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.37 1bkx n LYS 189 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1bkx s ARG 190 N 0.00 4.18 0.32 1.64 3.52 -1.25 -3.04 118.95 124.32 1bkx s ARG 190 Ca 0.00 2.35 0.04 0.00 -0.13 0.00 0.00 55.73 57.99 1bkx s ARG 190 Cb 0.00 -3.86 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 1bkx s ARG 190 CO 0.00 -0.83 0.33 0.14 -0.81 0.00 0.00 175.30 174.13 1bkx s VAL 191 N 3.55 0.00 -0.28 7.11 -7.23 0.95 -4.93 120.40 119.57 1bkx s VAL 191 Ca 0.77 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1bkx s VAL 191 Cb -0.38 -2.54 0.11 0.00 0.56 0.00 0.00 36.38 34.12 1bkx s VAL 191 CO 0.34 0.00 0.17 -0.54 -0.31 0.00 0.00 175.10 174.76 1bkx s LYS 192 N -3.38 0.22 0.96 4.82 3.01 -1.26 -4.48 119.74 119.62 1bkx s LYS 192 Ca 0.38 -0.40 0.00 0.00 -1.01 0.00 0.00 55.97 54.94 1bkx s LYS 192 Cb 0.02 -1.07 0.00 0.00 -1.01 0.00 0.00 37.83 35.77 1bkx s LYS 192 CO 0.24 -1.00 0.00 0.41 0.51 0.00 0.00 175.35 175.52 1bkx n GLY 193 N 5.27 0.91 3.81 -3.33 0.00 -1.26 -4.95 105.19 105.63 1bkx n GLY 193 Ca -0.05 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1bkx n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bkx s ARG 194 N 0.00 4.34 0.11 1.61 0.52 -1.26 -4.58 118.95 119.69 1bkx s ARG 194 Ca 0.00 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 1bkx s ARG 194 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1bkx s ARG 194 CO 0.00 0.22 0.00 0.95 0.02 0.00 0.00 175.30 176.49 1bkx s THR 195 N -1.78 0.36 -0.29 0.02 -4.23 -1.17 -4.95 115.64 103.60 1bkx s THR 195 Ca 0.52 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1bkx s THR 195 Cb -0.15 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 71.91 1bkx s THR 195 CO 0.20 -0.67 0.05 0.26 -0.54 0.00 0.00 174.62 173.92 1bkx s TRP 196 N -3.86 2.10 -0.37 3.99 0.51 -1.26 -1.87 118.94 118.18 1bkx s TRP 196 Ca 0.18 -1.84 0.01 0.00 -2.12 0.00 0.00 56.10 52.33 1bkx s TRP 196 Cb 0.07 -1.80 0.15 0.00 -0.81 0.00 0.00 33.47 31.08 1bkx s TRP 196 CO -0.02 -0.84 0.26 -1.17 -0.51 0.00 0.00 176.95 174.68 1bkx s LEU 198 N 1.48 0.90 0.11 2.99 0.20 -1.26 -4.88 118.68 118.22 1bkx s LEU 198 Ca 0.05 -2.28 0.08 0.00 0.69 0.00 0.00 54.13 52.68 1bkx s LEU 198 Cb -0.18 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.29 1bkx s LEU 198 CO -0.16 -0.27 -0.20 0.00 -0.29 0.00 0.00 176.35 175.42 1bkx n GLY 200 N 1.00 2.43 3.74 0.00 0.00 -1.26 -4.88 105.19 106.21 1bkx n GLY 200 Ca -0.19 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 1bkx n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bkx s THR 201 N -2.32 2.75 0.58 2.61 2.01 -1.26 -4.90 115.64 115.11 1bkx s THR 201 Ca 0.00 0.61 0.31 0.00 0.31 0.00 0.00 61.69 62.92 1bkx s THR 201 Cb 0.00 -3.39 0.44 0.00 0.01 0.00 0.00 72.50 69.56 1bkx s THR 201 CO 0.00 0.09 1.77 1.55 -0.69 0.00 0.00 174.62 177.33 1bkx h PRO 202 N 5.37 0.00 -0.15 4.92 0.13 -1.99 -2.13 132.00 138.15 1bkx h PRO 202 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1bkx h PRO 202 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1bkx h PRO 202 CO 0.80 0.00 -0.51 0.93 -0.23 0.00 0.00 178.00 178.99 1bkx h GLU 203 N 0.00 0.43 -0.65 0.86 3.07 -1.90 -3.23 114.58 113.16 1bkx h GLU 203 Ca 0.37 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1bkx h GLU 203 Cb 1.82 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.75 1bkx h GLU 203 CO -0.00 0.84 0.00 0.66 -1.40 0.00 0.00 179.01 179.10 1bkx n TYR 204 N -3.96 0.86 -1.92 4.33 4.02 -0.81 -4.75 117.16 114.94 1bkx n TYR 204 Ca -0.02 -0.43 -0.41 0.00 -0.01 0.00 0.00 57.90 57.03 1bkx n TYR 204 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.86 1bkx n TYR 204 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1bkx s LEU 205 N -1.13 3.42 0.60 7.72 1.43 -1.19 -4.56 118.68 124.97 1bkx s LEU 205 Ca 0.47 1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 1bkx s LEU 205 Cb 0.25 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 1bkx s LEU 205 CO 0.33 -2.11 0.87 0.00 0.23 0.00 0.00 176.35 175.68 1bkx n ALA 206 N 11.98 -0.11 0.68 4.21 0.00 -1.26 -4.80 120.51 131.21 1bkx n ALA 206 Ca 0.25 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1bkx n ALA 206 Cb 0.49 -2.05 0.35 0.00 0.00 0.00 0.00 19.45 18.25 1bkx n ALA 206 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bkx n PRO 207 N -0.87 0.23 0.05 0.00 -0.04 -1.26 -3.41 135.00 129.71 1bkx n PRO 207 Ca 0.13 0.14 -0.02 0.00 -0.04 0.00 0.00 63.50 63.71 1bkx n PRO 207 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1bkx n PRO 207 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bkx h GLU 208 N 0.00 -0.14 -0.60 0.54 3.07 -1.93 -3.20 114.58 112.33 1bkx h GLU 208 Ca 0.00 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.01 1bkx h GLU 208 Cb 0.11 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 27.94 1bkx h GLU 208 CO 0.00 -0.09 -0.08 -0.89 -1.40 0.00 0.00 179.01 176.55 1bkx n ILE 209 N -2.63 -0.25 -0.07 3.13 2.08 -1.22 0.59 119.36 121.00 1bkx n ILE 209 Ca -0.02 1.34 0.05 0.00 0.56 0.00 0.00 62.75 64.68 1bkx n ILE 209 Cb 0.06 -1.90 0.40 0.00 -0.75 0.00 0.00 39.64 37.44 1bkx n ILE 209 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1bkx h ILE 210 N 0.00 1.08 0.00 1.39 2.04 -1.57 0.14 117.51 120.59 1bkx h ILE 210 Ca 0.32 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 1bkx h ILE 210 Cb 0.57 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1bkx h ILE 210 CO -0.59 0.12 -1.14 -0.07 0.00 0.00 0.00 178.15 176.47 1bkx h LEU 211 N 0.64 0.00 -2.74 1.44 -0.00 0.15 -3.49 115.31 111.31 1bkx h LEU 211 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1bkx h LEU 211 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1bkx h LEU 211 CO -0.05 0.45 -0.02 -1.20 -0.00 0.00 0.00 178.44 177.61 1bkx n SER 212 N -2.92 -4.40 -3.13 -0.43 7.64 0.89 -5.03 113.62 106.24 1bkx n SER 212 Ca -0.05 -0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.60 1bkx n SER 212 Cb 0.76 -2.78 -0.04 0.00 -1.01 0.00 0.00 64.21 61.14 1bkx n SER 212 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1bkx n LYS 213 N -1.23 1.71 -2.91 1.43 2.85 -1.24 -5.02 118.16 113.75 1bkx n LYS 213 Ca 0.00 -3.88 0.00 0.00 -1.05 0.00 0.00 58.31 53.38 1bkx n LYS 213 Cb 0.47 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 1bkx n LYS 213 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1bkx n GLY 214 N 0.31 0.00 0.00 2.58 0.00 -1.25 -4.94 105.19 101.89 1bkx n GLY 214 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1bkx n GLY 214 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bkx n TYR 215 N 2.06 -1.77 -3.85 1.61 4.11 -0.78 -4.64 117.16 113.89 1bkx n TYR 215 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 1bkx n TYR 215 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.50 1bkx n TYR 215 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1bkx s ASN 216 N -1.00 -0.03 0.24 9.48 6.03 -1.26 -3.04 114.94 125.35 1bkx s ASN 216 Ca 0.00 -0.53 0.17 0.00 -1.03 0.00 0.00 52.86 51.48 1bkx s ASN 216 Cb 0.00 0.43 0.81 0.00 -3.03 0.00 0.00 41.25 39.46 1bkx s ASN 216 CO 0.00 -0.83 0.86 0.29 -2.03 0.00 0.00 177.10 175.38 1bkx n LYS 217 N -0.67 -0.02 -0.35 3.55 5.02 -1.26 0.15 118.16 124.58 1bkx n LYS 217 Ca -0.03 0.69 0.27 0.00 -2.02 0.00 0.00 58.31 57.22 1bkx n LYS 217 Cb 0.60 -1.35 0.55 0.00 -0.02 0.00 0.00 35.03 34.80 1bkx n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bkx h ALA 218 N 0.89 2.37 -0.00 7.82 0.00 -1.94 1.19 119.26 129.58 1bkx h ALA 218 Ca 0.48 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1bkx h ALA 218 Cb 1.54 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1bkx h ALA 218 CO -0.27 -0.84 0.00 -0.39 0.00 0.00 0.00 179.25 177.76 1bkx h VAL 219 N 0.30 1.00 0.21 0.00 -1.51 0.10 -2.47 116.25 113.89 1bkx h VAL 219 Ca 0.65 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 66.10 1bkx h VAL 219 Cb 1.79 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 1bkx h VAL 219 CO -0.33 0.00 -0.10 0.44 -1.23 0.00 0.00 177.57 176.35 1bkx h ASP 220 N 0.00 -0.24 -0.97 4.19 3.32 0.13 -2.60 116.42 120.24 1bkx h ASP 220 Ca 0.00 0.01 0.30 0.00 0.02 0.00 0.00 57.03 57.36 1bkx h ASP 220 Cb 0.00 0.06 -0.15 0.00 0.22 0.00 0.00 39.33 39.47 1bkx h ASP 220 CO 0.00 -0.16 0.48 -0.50 -1.72 0.00 0.00 179.24 177.33 1bkx h TRP 221 N -0.31 0.78 -0.66 4.55 -0.00 -1.52 1.35 115.95 120.14 1bkx h TRP 221 Ca -0.03 0.04 0.12 0.00 -0.00 0.00 0.00 58.89 59.02 1bkx h TRP 221 Cb 0.22 -0.18 -0.08 0.00 -0.00 0.00 0.00 29.16 29.11 1bkx h TRP 221 CO 0.16 -0.18 0.22 2.35 -0.00 0.00 0.00 178.44 180.99 1bkx h TRP 222 N 0.30 0.38 0.00 0.49 2.91 -1.37 0.19 115.95 118.84 1bkx h TRP 222 Ca 0.69 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.71 1bkx h TRP 222 Cb 1.52 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 30.09 1bkx h TRP 222 CO -0.08 0.05 -0.14 0.00 -1.03 0.00 0.00 178.44 177.23 1bkx h ALA 223 N 1.48 1.14 -0.22 2.65 0.00 0.22 -2.39 119.26 122.14 1bkx h ALA 223 Ca 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1bkx h ALA 223 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bkx h ALA 223 CO -0.37 0.18 -0.02 1.25 0.00 0.00 0.00 179.25 180.29 1bkx h LEU 224 N 0.00 0.30 -0.07 0.00 5.85 -0.08 0.13 115.31 121.44 1bkx h LEU 224 Ca -0.00 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1bkx h LEU 224 Cb 0.50 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.46 1bkx h LEU 224 CO 0.02 0.37 -0.42 1.23 -0.34 0.00 0.00 178.44 179.30 1bkx h GLY 225 N 0.65 0.45 1.21 3.75 0.00 -1.20 -0.48 103.07 107.45 1bkx h GLY 225 Ca 0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1bkx h GLY 225 CO 0.01 0.58 0.46 -2.08 0.00 0.00 0.00 176.54 175.51 1bkx h VAL 226 N -0.06 1.22 0.53 4.60 2.07 -1.44 0.48 116.25 123.65 1bkx h VAL 226 Ca -0.03 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1bkx h VAL 226 Cb 1.08 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bkx h VAL 226 CO 0.09 0.23 -0.40 0.25 0.02 0.00 0.00 177.57 177.75 1bkx h LEU 227 N 1.07 -1.05 0.34 2.57 5.85 -0.48 -2.14 115.31 121.46 1bkx h LEU 227 Ca 0.28 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1bkx h LEU 227 Cb -0.04 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1bkx h LEU 227 CO -0.05 -0.59 -0.16 0.40 -0.34 0.00 0.00 178.44 177.70 1bkx h ILE 228 N -0.91 0.68 -0.55 4.05 2.04 -0.68 0.17 117.51 122.31 1bkx h ILE 228 Ca -0.06 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.76 1bkx h ILE 228 Cb 0.77 0.75 -0.10 0.00 -0.74 0.00 0.00 36.82 37.49 1bkx h ILE 228 CO 0.01 0.03 -0.45 0.22 0.00 0.00 0.00 178.15 177.95 1bkx h TYR 229 N -0.52 -1.34 -0.61 1.37 5.03 0.02 0.18 116.97 121.10 1bkx h TYR 229 Ca -0.05 0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1bkx h TYR 229 Cb 0.39 0.66 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 1bkx h TYR 229 CO -0.04 -0.43 0.38 1.49 -1.32 0.00 0.00 178.16 178.24 1bkx h GLU 230 N -0.26 0.83 -0.94 1.82 4.81 -1.30 -0.58 114.58 118.96 1bkx h GLU 230 Ca 0.16 -0.07 0.19 0.00 -0.13 0.00 0.00 59.36 59.52 1bkx h GLU 230 Cb 0.57 -0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 1bkx h GLU 230 CO -0.67 0.58 0.60 0.52 -0.73 0.00 0.00 179.01 179.31 1bkx h MET 231 N 0.83 0.54 -0.01 1.92 2.86 0.20 0.26 114.93 121.52 1bkx h MET 231 Ca 0.22 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1bkx h MET 231 Cb -0.05 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1bkx h MET 231 CO -0.04 0.36 -0.32 0.00 1.06 0.00 0.00 176.91 177.96 1bkx n ALA 232 N -2.45 3.22 0.00 6.32 0.00 0.38 0.37 120.51 128.34 1bkx n ALA 232 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1bkx n ALA 232 Cb 0.64 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1bkx n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkx n ALA 233 N -0.37 1.03 0.00 0.00 0.00 -0.30 -4.52 120.51 116.36 1bkx n ALA 233 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1bkx n ALA 233 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1bkx n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkx n GLY 234 N 0.94 1.83 2.86 0.00 0.00 0.80 -4.84 105.19 106.79 1bkx n GLY 234 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1bkx n GLY 234 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bkx n TYR 235 N 0.00 -4.28 -4.08 1.61 4.11 -1.26 -4.36 117.16 108.91 1bkx n TYR 235 Ca 0.00 0.09 -0.22 0.00 -0.00 0.00 0.00 57.90 57.78 1bkx n TYR 235 Cb 0.00 -1.40 -0.04 0.00 -0.00 0.00 0.00 39.34 37.90 1bkx n TYR 235 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1bkx s PRO 236 N -1.60 3.06 0.11 -3.48 0.04 -1.26 -3.74 135.00 128.13 1bkx s PRO 236 Ca 0.42 -0.97 -0.34 0.00 0.04 0.00 0.00 61.00 60.14 1bkx s PRO 236 Cb -0.25 -2.65 -0.14 0.00 0.04 0.00 0.00 34.50 31.50 1bkx s PRO 236 CO 0.73 0.41 1.56 -1.35 0.04 0.00 0.00 177.00 178.39 1bkx h PRO 237 N 1.41 -0.72 -5.18 0.56 0.11 -1.92 -3.39 132.00 122.86 1bkx h PRO 237 Ca -0.49 0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.03 1bkx h PRO 237 Cb 1.24 0.16 -0.20 0.00 0.11 0.00 0.00 31.00 32.31 1bkx h PRO 237 CO 0.61 -0.48 -0.61 -0.06 -0.21 0.00 0.00 178.00 177.24 1bkx s PHE 238 N -5.80 3.13 -0.29 0.65 0.08 -1.26 -4.91 117.98 109.58 1bkx s PHE 238 Ca -0.16 -0.19 -0.16 0.00 0.12 0.00 0.00 56.93 56.54 1bkx s PHE 238 Cb 0.06 -2.10 0.18 0.00 -0.57 0.00 0.00 43.02 40.59 1bkx s PHE 238 CO 0.61 -0.06 1.11 -0.59 -0.10 0.00 0.00 175.22 176.19 1bkx s PHE 239 N 0.76 -0.34 0.00 0.36 -0.71 -1.26 -4.84 117.98 111.95 1bkx s PHE 239 Ca 0.02 0.66 0.00 0.00 -1.04 0.00 0.00 56.93 56.57 1bkx s PHE 239 Cb -0.14 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 1bkx s PHE 239 CO 0.02 -0.17 0.00 0.00 -1.34 0.00 0.00 175.22 173.73 1bkx n ALA 240 N 3.52 0.00 -0.06 1.99 0.00 -1.26 -4.94 120.51 119.75 1bkx n ALA 240 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1bkx n ALA 240 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1bkx n ALA 240 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1bkx h ASP 241 N 0.00 0.00 -3.58 0.00 1.82 -2.02 -3.47 116.42 109.18 1bkx h ASP 241 Ca 0.00 -0.19 -0.67 0.00 -0.39 0.00 0.00 57.03 55.78 1bkx h ASP 241 Cb 0.00 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 39.80 1bkx h ASP 241 CO 0.00 0.75 -0.71 -1.58 -1.61 0.00 0.00 179.24 176.09 1bkx s GLN 242 N -1.95 3.02 0.13 0.28 0.74 -1.26 -5.04 119.66 115.59 1bkx s GLN 242 Ca -0.10 -0.58 -0.19 0.00 0.05 0.00 0.00 55.36 54.53 1bkx s GLN 242 Cb 0.01 -2.64 0.03 0.00 1.10 0.00 0.00 33.01 31.50 1bkx s GLN 242 CO 0.22 0.50 1.12 -2.30 -0.55 0.00 0.00 175.29 174.28 1bkx n PRO 243 N 2.72 -0.27 -0.30 1.67 -0.02 -1.26 -0.66 135.00 136.88 1bkx n PRO 243 Ca -0.18 1.11 0.14 0.00 -2.02 0.00 0.00 63.50 62.55 1bkx n PRO 243 Cb 0.53 -1.63 0.30 0.00 -0.02 0.00 0.00 33.50 32.68 1bkx n PRO 243 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1bkx h ILE 244 N 0.00 0.35 0.41 4.25 2.04 -2.00 -1.46 117.51 121.10 1bkx h ILE 244 Ca 0.16 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1bkx h ILE 244 Cb 0.35 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1bkx h ILE 244 CO -0.70 0.05 -0.33 1.56 0.00 0.00 0.00 178.15 178.73 1bkx h GLN 245 N 0.25 -0.69 -1.28 2.37 7.50 -1.31 -1.17 115.11 120.78 1bkx h GLN 245 Ca 0.56 0.05 0.37 0.00 0.50 0.00 0.00 58.65 60.13 1bkx h GLN 245 Cb 1.14 0.16 -0.05 0.00 0.05 0.00 0.00 27.48 28.77 1bkx h GLN 245 CO -0.63 -0.46 1.22 0.82 -1.50 0.00 0.00 178.83 178.28 1bkx h ILE 246 N -0.72 0.05 0.28 2.54 2.04 -1.43 -1.49 117.51 118.78 1bkx h ILE 246 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1bkx h ILE 246 Cb 0.60 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1bkx h ILE 246 CO 0.00 0.00 -0.14 1.88 0.00 0.00 0.00 178.15 179.90 1bkx h TYR 247 N 0.00 -0.35 -0.95 1.37 0.05 -0.18 -2.91 116.97 114.00 1bkx h TYR 247 Ca 0.61 -0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.57 1bkx h TYR 247 Cb 3.03 0.12 -0.08 0.00 1.01 0.00 0.00 36.73 40.81 1bkx h TYR 247 CO 0.00 -0.22 0.61 1.05 -1.05 0.00 0.00 178.16 178.55 1bkx h GLU 248 N -0.54 0.60 -0.21 4.88 4.11 -1.10 -1.94 114.58 120.37 1bkx h GLU 248 Ca -0.04 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.41 1bkx h GLU 248 Cb 0.29 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1bkx h GLU 248 CO 0.06 0.40 -0.38 -0.22 0.07 0.00 0.00 179.01 178.94 1bkx h LYS 249 N 0.62 -0.39 -0.50 1.06 3.64 -1.57 -2.22 116.57 117.21 1bkx h LYS 249 Ca 0.51 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 60.00 1bkx h LYS 249 Cb 0.97 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1bkx h LYS 249 CO -0.26 -0.26 0.12 0.82 -2.27 0.00 0.00 179.45 177.59 1bkx h ILE 250 N -0.41 0.74 -0.25 2.00 2.04 -1.14 -2.39 117.51 118.10 1bkx h ILE 250 Ca 0.10 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.74 1bkx h ILE 250 Cb 0.59 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1bkx h ILE 250 CO -0.43 0.05 -0.40 0.58 0.00 0.00 0.00 178.15 177.95 1bkx h VAL 251 N 0.26 1.30 -0.70 1.67 2.07 -1.42 -2.65 116.25 116.78 1bkx h VAL 251 Ca 0.25 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1bkx h VAL 251 Cb 0.32 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1bkx h VAL 251 CO -0.31 0.50 0.45 0.77 0.02 0.00 0.00 177.57 179.00 1bkx h SER 252 N 0.49 0.81 -0.02 0.57 4.64 -1.20 -3.47 113.55 115.37 1bkx h SER 252 Ca 0.04 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1bkx h SER 252 Cb 0.90 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1bkx h SER 252 CO 0.08 0.60 -0.01 0.61 -0.87 0.00 0.00 176.83 177.24 1bkx n GLY 253 N -1.26 0.47 3.58 -0.77 0.00 -0.92 -5.00 105.19 101.30 1bkx n GLY 253 Ca 0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1bkx n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bkx s LYS 254 N -0.66 3.30 -0.14 1.61 1.02 -1.26 -4.97 119.74 118.64 1bkx s LYS 254 Ca 0.00 0.83 -0.07 0.00 0.02 0.00 0.00 55.97 56.75 1bkx s LYS 254 Cb 0.00 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 1bkx s LYS 254 CO 0.00 -1.91 0.10 0.08 -0.92 0.00 0.00 175.35 172.70 1bkx s VAL 255 N 6.44 5.12 -0.20 3.17 1.01 -1.26 -5.04 120.40 129.64 1bkx s VAL 255 Ca 0.63 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1bkx s VAL 255 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1bkx s VAL 255 CO 0.29 0.55 0.06 -0.60 0.00 0.00 0.00 175.10 175.39 1bkx s ARG 256 N -0.44 3.84 -0.06 2.72 3.52 -1.26 -5.10 118.95 122.17 1bkx s ARG 256 Ca 0.11 -0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 55.15 1bkx s ARG 256 Cb -0.12 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1bkx s ARG 256 CO 0.02 0.11 0.39 -0.06 -0.81 0.00 0.00 175.30 174.94 1bkx s PHE 257 N 0.81 3.63 0.58 5.12 0.08 -1.26 -5.03 117.98 121.90 1bkx s PHE 257 Ca 0.03 0.87 -0.20 0.00 0.12 0.00 0.00 56.93 57.76 1bkx s PHE 257 Cb -0.14 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1bkx s PHE 257 CO 0.02 0.47 1.24 -1.25 -0.10 0.00 0.00 175.22 175.60 1bkx s PRO 258 N -0.42 3.02 0.31 0.24 0.05 -1.26 -4.87 135.00 132.07 1bkx s PRO 258 Ca 0.22 1.92 0.07 0.00 0.05 0.00 0.00 61.00 63.26 1bkx s PRO 258 Cb -0.15 -2.01 0.80 0.00 0.05 0.00 0.00 34.50 33.18 1bkx s PRO 258 CO 0.10 -1.19 1.76 0.66 0.05 0.00 0.00 177.00 178.38 1bkx h SER 259 N 1.04 0.74 0.00 6.66 4.64 -2.02 -2.16 113.55 122.46 1bkx h SER 259 Ca -0.50 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bkx h SER 259 Cb 1.30 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bkx h SER 259 CO 0.56 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 1bkx n HIS 260 N -4.81 0.00 -2.21 4.77 1.44 -1.26 -4.82 115.22 108.34 1bkx n HIS 260 Ca 0.25 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.54 1bkx n HIS 260 Cb 0.64 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.72 1bkx n HIS 260 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1bkx s PHE 261 N -2.00 3.27 1.15 -1.40 0.40 -0.82 -4.96 117.98 113.62 1bkx s PHE 261 Ca 0.27 1.04 -0.18 0.00 -0.60 0.00 0.00 56.93 57.47 1bkx s PHE 261 Cb 0.12 -3.64 0.16 0.00 0.51 0.00 0.00 43.02 40.18 1bkx s PHE 261 CO 0.21 -2.17 0.26 -1.13 0.70 0.00 0.00 175.22 173.09 1bkx n SER 262 N 3.67 -2.37 0.09 1.36 3.41 -1.26 -4.78 113.62 113.73 1bkx n SER 262 Ca 0.10 -0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 1bkx n SER 262 Cb 0.43 -1.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.24 1bkx n SER 262 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bkx h SER 263 N -2.32 0.34 1.63 4.04 0.02 -1.98 -2.90 113.55 112.37 1bkx h SER 263 Ca -0.54 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 1bkx h SER 263 Cb 1.33 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1bkx h SER 263 CO 0.39 1.30 0.00 0.44 -1.14 0.00 0.00 176.83 177.83 1bkx h ASP 264 N 0.06 0.00 0.49 3.07 3.32 -1.99 -2.26 116.42 119.10 1bkx h ASP 264 Ca -0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1bkx h ASP 264 Cb 1.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.50 1bkx h ASP 264 CO 0.18 0.00 -0.23 0.25 -1.72 0.00 0.00 179.24 177.72 1bkx h LEU 265 N 0.00 -0.56 -1.45 1.55 6.46 -1.89 -1.87 115.31 117.56 1bkx h LEU 265 Ca 0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1bkx h LEU 265 Cb 0.82 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1bkx h LEU 265 CO 0.00 -0.18 0.03 0.11 -0.62 0.00 0.00 178.44 177.78 1bkx h LYS 266 N -1.01 0.00 0.00 1.25 1.57 -1.43 -2.23 116.57 114.72 1bkx h LYS 266 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1bkx h LYS 266 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1bkx h LYS 266 CO 0.11 0.00 -0.09 0.22 -0.57 0.00 0.00 179.45 179.12 1bkx h ASP 267 N 0.00 0.00 -0.16 0.86 3.58 -0.95 -3.30 116.42 116.45 1bkx h ASP 267 Ca 0.00 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.33 1bkx h ASP 267 Cb 0.06 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1bkx h ASP 267 CO 0.00 0.62 -0.11 0.25 -2.88 0.00 0.00 179.24 177.11 1bkx h LEU 268 N -1.00 -0.41 0.00 2.28 5.85 -1.06 -3.06 115.31 117.92 1bkx h LEU 268 Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1bkx h LEU 268 Cb 0.22 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1bkx h LEU 268 CO -0.00 -0.06 0.00 0.18 -0.34 0.00 0.00 178.44 178.22 1bkx n LEU 269 N -3.38 0.00 0.00 2.25 4.32 -0.86 0.13 117.00 119.46 1bkx n LEU 269 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1bkx n LEU 269 Cb 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1bkx n LEU 269 CO -0.02 0.00 0.25 -2.11 -1.22 0.00 0.00 177.39 174.29 1bkx n ARG 270 N -0.35 0.00 -0.01 3.23 1.85 -1.22 0.77 116.66 120.93 1bkx n ARG 270 Ca 0.00 0.08 -0.22 0.00 -1.00 0.00 0.00 57.85 56.71 1bkx n ARG 270 Cb 0.00 -1.60 -0.13 0.00 -1.05 0.00 0.00 32.46 29.67 1bkx n ARG 270 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1bkx h ASN 271 N 0.00 0.34 0.30 2.89 2.35 0.12 -3.38 115.58 118.20 1bkx h ASN 271 Ca 0.00 -0.84 -0.01 0.00 -0.55 0.00 0.00 56.30 54.90 1bkx h ASN 271 Cb 0.20 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1bkx h ASN 271 CO 0.00 1.73 -0.15 -0.07 -1.65 0.00 0.00 177.43 177.29 1bkx h LEU 272 N -0.23 -0.35 -4.48 1.61 3.38 0.68 -3.10 115.31 112.82 1bkx h LEU 272 Ca -0.38 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1bkx h LEU 272 Cb 1.83 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1bkx h LEU 272 CO 0.03 -0.12 0.24 0.18 0.09 0.00 0.00 178.44 178.86 1bkx n LEU 273 N -3.81 0.01 -4.45 1.67 4.32 0.06 -4.59 117.00 110.21 1bkx n LEU 273 Ca -0.05 -0.25 -0.43 0.00 -0.02 0.00 0.00 56.01 55.26 1bkx n LEU 273 Cb 0.16 -0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 1bkx n LEU 273 CO 0.12 -0.24 0.04 -1.58 -1.22 0.00 0.00 177.39 174.51 1bkx s GLN 274 N 2.47 3.02 0.00 3.23 -0.44 -1.25 -4.83 119.66 121.87 1bkx s GLN 274 Ca 0.00 -1.02 0.00 0.00 -2.50 0.00 0.00 55.36 51.84 1bkx s GLN 274 Cb 0.00 -4.02 0.00 0.00 -1.64 0.00 0.00 33.01 27.35 1bkx s GLN 274 CO 0.00 -0.88 0.37 1.55 0.50 0.00 0.00 175.29 176.83 1bkx n VAL 275 N 5.28 0.00 -3.99 1.34 3.14 -1.26 -4.28 118.33 118.57 1bkx n VAL 275 Ca -0.10 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.98 1bkx n VAL 275 Cb 0.46 -0.87 -0.16 0.00 -1.06 0.00 0.00 33.84 32.21 1bkx n VAL 275 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bkx s ASP 276 N -2.00 3.07 0.29 6.55 -1.08 -1.26 -4.96 116.67 117.28 1bkx s ASP 276 Ca 0.00 -0.72 0.01 0.00 -0.52 0.00 0.00 52.55 51.33 1bkx s ASP 276 Cb 0.00 -1.17 0.44 0.00 -1.46 0.00 0.00 42.92 40.74 1bkx s ASP 276 CO 0.00 -0.12 1.78 0.17 0.52 0.00 0.00 175.17 177.52 1bkx h LEU 277 N 8.02 0.58 -3.46 -1.34 -0.00 -1.96 -2.33 115.31 114.82 1bkx h LEU 277 Ca -0.31 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.88 57.35 1bkx h LEU 277 Cb 1.11 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.59 1bkx h LEU 277 CO 0.48 0.71 -0.15 0.35 -0.00 0.00 0.00 178.44 179.83 1bkx n THR 278 N -4.20 2.33 0.00 0.15 -2.24 -1.26 -2.94 114.28 106.12 1bkx n THR 278 Ca 0.01 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1bkx n THR 278 Cb 0.32 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 1bkx n THR 278 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1bkx n LYS 279 N 1.95 0.00 -3.65 -0.78 2.85 -0.88 -5.05 118.16 112.59 1bkx n LYS 279 Ca 0.18 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.27 1bkx n LYS 279 Cb 0.65 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.88 1bkx n LYS 279 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1bkx s ARG 280 N 0.00 0.07 0.38 -1.58 3.52 -1.15 -4.74 118.95 115.45 1bkx s ARG 280 Ca 0.00 0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 55.92 1bkx s ARG 280 Cb 0.00 -0.36 -0.14 0.00 -1.56 0.00 0.00 34.95 32.89 1bkx s ARG 280 CO 0.00 -0.35 0.49 1.19 -0.81 0.00 0.00 175.30 175.82 1bkx n PHE 281 N 5.33 -0.67 0.00 5.12 3.72 -1.17 -0.37 117.46 129.41 1bkx n PHE 281 Ca -0.05 0.66 0.00 0.00 -0.05 0.00 0.00 57.45 58.01 1bkx n PHE 281 Cb 0.50 -1.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 1bkx n PHE 281 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bkx n GLY 282 N 1.88 3.00 0.00 1.37 0.00 -1.24 -4.77 105.19 105.43 1bkx n GLY 282 Ca 0.12 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1bkx n GLY 282 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bkx n ASN 283 N 0.06 0.93 -4.80 1.61 2.85 0.50 -4.66 115.26 111.74 1bkx n ASN 283 Ca 0.00 -0.43 -0.31 0.00 -0.11 0.00 0.00 54.58 53.74 1bkx n ASN 283 Cb 0.00 1.41 0.07 0.00 1.24 0.00 0.00 39.78 42.50 1bkx n ASN 283 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bkx s LEU 284 N -3.53 2.95 0.54 1.20 1.02 -1.21 -4.89 118.68 114.77 1bkx s LEU 284 Ca -0.00 1.59 0.22 0.00 0.02 0.00 0.00 54.13 55.96 1bkx s LEU 284 Cb 0.12 -4.35 1.41 0.00 0.02 0.00 0.00 46.19 43.38 1bkx s LEU 284 CO 0.70 -1.75 2.09 0.11 0.02 0.00 0.00 176.35 177.52 1bkx h LYS 285 N -0.93 0.00 -0.00 1.70 1.79 -1.96 0.34 116.57 117.52 1bkx h LYS 285 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1bkx h LYS 285 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1bkx h LYS 285 CO 0.56 0.00 -0.02 -1.71 -1.08 0.00 0.00 179.45 177.20 1bkx n ASN 286 N -4.33 0.07 0.00 0.86 5.15 -1.26 -4.99 115.26 110.76 1bkx n ASN 286 Ca 0.03 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1bkx n ASN 286 Cb 0.32 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 1bkx n ASN 286 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bkx n GLY 287 N 1.27 3.15 0.28 8.20 0.00 0.12 -2.30 105.19 115.90 1bkx n GLY 287 Ca 0.15 -0.24 0.17 0.00 0.00 0.00 0.00 46.02 46.10 1bkx n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bkx h VAL 288 N 0.00 0.04 0.00 1.61 2.07 -1.86 -2.67 116.25 115.43 1bkx h VAL 288 Ca 0.00 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1bkx h VAL 288 Cb 0.00 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1bkx h VAL 288 CO 0.00 0.01 -0.02 0.78 0.02 0.00 0.00 177.57 178.36 1bkx h ASN 289 N 0.00 0.00 -0.32 0.57 2.35 -1.85 0.90 115.58 117.23 1bkx h ASN 289 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bkx h ASN 289 Cb 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1bkx h ASN 289 CO 0.00 0.02 0.18 0.44 -1.65 0.00 0.00 177.43 176.42 1bkx h ASP 290 N 0.00 0.39 0.14 5.81 3.32 -1.60 -1.38 116.42 123.09 1bkx h ASP 290 Ca -0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1bkx h ASP 290 Cb 0.36 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1bkx h ASP 290 CO 0.00 0.34 -0.07 0.40 -1.72 0.00 0.00 179.24 178.20 1bkx h ILE 291 N 0.40 0.04 -0.72 0.35 2.04 -1.47 -2.46 117.51 115.69 1bkx h ILE 291 Ca 0.11 -0.89 0.21 0.00 1.00 0.00 0.00 64.86 65.30 1bkx h ILE 291 Cb 0.03 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1bkx h ILE 291 CO -0.02 0.01 1.08 0.50 0.00 0.00 0.00 178.15 179.72 1bkx h LYS 292 N -1.05 0.00 0.00 2.37 3.64 0.74 1.04 116.57 123.31 1bkx h LYS 292 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1bkx h LYS 292 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1bkx h LYS 292 CO 0.03 0.00 -0.72 0.09 -2.27 0.00 0.00 179.45 176.59 1bkx n ASN 293 N -3.11 0.75 -4.73 4.20 3.02 -0.52 -4.91 115.26 109.96 1bkx n ASN 293 Ca 0.16 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.56 1bkx n ASN 293 Cb 1.30 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 41.52 1bkx n ASN 293 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1bkx n HIS 294 N -1.37 2.69 -0.30 3.10 -0.00 0.36 -4.80 115.22 114.88 1bkx n HIS 294 Ca 0.02 0.30 -0.01 0.00 0.46 0.00 0.00 57.72 58.49 1bkx n HIS 294 Cb 0.22 -2.56 0.02 0.00 -0.12 0.00 0.00 29.99 27.55 1bkx n HIS 294 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1bkx n LYS 295 N 2.06 -0.20 -0.44 1.57 4.01 -1.26 0.57 118.16 124.48 1bkx n LYS 295 Ca 0.09 1.21 0.36 0.00 -0.51 0.00 0.00 58.31 59.45 1bkx n LYS 295 Cb 0.36 -1.79 0.58 0.00 -0.51 0.00 0.00 35.03 33.66 1bkx n LYS 295 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1bkx n TRP 296 N -5.14 0.37 -0.18 2.13 -0.00 -1.26 0.34 117.44 113.69 1bkx n TRP 296 Ca 0.08 0.37 0.02 0.00 -0.00 0.00 0.00 57.50 57.96 1bkx n TRP 296 Cb 0.31 -0.77 0.23 0.00 -0.00 0.00 0.00 31.31 31.07 1bkx n TRP 296 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1bkx n PHE 297 N -4.02 1.35 0.04 5.87 3.72 0.19 -4.53 117.46 120.08 1bkx n PHE 297 Ca 0.33 -0.55 -0.05 0.00 -0.05 0.00 0.00 57.45 57.13 1bkx n PHE 297 Cb 1.37 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 1bkx n PHE 297 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bkx h ALA 298 N 3.00 -0.70 -0.78 4.37 0.00 0.55 -3.05 119.26 122.65 1bkx h ALA 298 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bkx h ALA 298 Cb 1.50 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1bkx h ALA 298 CO 0.35 -0.74 0.49 1.79 0.00 0.00 0.00 179.25 181.14 1bkx h THR 299 N -0.24 1.22 -1.89 0.00 1.35 -1.81 -3.45 112.91 108.09 1bkx h THR 299 Ca -0.00 -0.45 -0.65 0.00 -0.55 0.00 0.00 66.41 64.75 1bkx h THR 299 Cb 0.24 0.11 0.04 0.00 -1.73 0.00 0.00 68.15 66.80 1bkx h THR 299 CO -0.09 0.22 0.79 0.35 -0.25 0.00 0.00 175.52 176.55 1bkx n THR 300 N -4.50 0.20 -3.17 6.82 -2.24 -1.16 -4.93 114.28 105.31 1bkx n THR 300 Ca 0.08 -0.04 -0.44 0.00 -2.27 0.00 0.00 64.05 61.38 1bkx n THR 300 Cb 0.04 -1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 66.87 1bkx n THR 300 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bkx s ASP 301 N 2.09 6.22 0.30 3.42 2.15 -1.26 -4.95 116.67 124.64 1bkx s ASP 301 Ca 0.88 -0.92 0.15 0.00 0.43 0.00 0.00 52.55 53.08 1bkx s ASP 301 Cb -0.85 -2.29 0.80 0.00 -0.30 0.00 0.00 42.92 40.29 1bkx s ASP 301 CO 0.50 -0.88 1.38 0.79 -0.17 0.00 0.00 175.17 176.79 1bkx n TRP 302 N 6.13 0.50 -0.11 -5.34 7.02 -1.26 -3.01 117.44 121.36 1bkx n TRP 302 Ca -0.07 0.26 -0.20 0.00 -1.02 0.00 0.00 57.50 56.47 1bkx n TRP 302 Cb 0.45 -0.79 -0.08 0.00 -2.42 0.00 0.00 31.31 28.48 1bkx n TRP 302 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1bkx n ILE 303 N -2.06 1.51 -0.22 -0.99 5.41 -1.26 -3.44 119.36 118.31 1bkx n ILE 303 Ca -0.01 -0.10 -0.06 0.00 1.00 0.00 0.00 62.75 63.58 1bkx n ILE 303 Cb 0.21 -2.09 -0.01 0.00 -0.71 0.00 0.00 39.64 37.05 1bkx n ILE 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bkx h ALA 304 N -0.85 -0.13 -0.03 -1.39 0.00 -1.90 4.62 119.26 119.57 1bkx h ALA 304 Ca -0.37 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bkx h ALA 304 Cb 1.26 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1bkx h ALA 304 CO -0.23 -0.72 -0.03 0.82 0.00 0.00 0.00 179.25 179.08 1bkx h ILE 305 N -0.17 0.00 -0.46 0.00 5.03 -1.76 2.87 117.51 123.02 1bkx h ILE 305 Ca 0.22 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 65.00 1bkx h ILE 305 Cb 0.56 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.29 1bkx h ILE 305 CO -0.70 0.00 -0.31 0.22 -0.68 0.00 0.00 178.15 176.67 1bkx h TYR 306 N -0.02 -0.99 0.00 1.37 5.03 -1.22 2.83 116.97 123.97 1bkx h TYR 306 Ca 0.01 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1bkx h TYR 306 Cb 0.03 0.49 0.00 0.00 1.55 0.00 0.00 36.73 38.81 1bkx h TYR 306 CO -0.70 -0.21 0.00 1.04 -1.32 0.00 0.00 178.16 176.97 1bkx n GLN 307 N -4.19 0.01 -4.19 1.82 6.02 1.50 -4.76 117.38 113.59 1bkx n GLN 307 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.68 1bkx n GLN 307 Cb 0.15 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 1bkx n GLN 307 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1bkx n ARG 308 N -0.92 -1.41 -0.00 -1.09 1.85 0.95 -4.81 116.66 111.22 1bkx n ARG 308 Ca 0.00 0.17 0.08 0.00 -1.00 0.00 0.00 57.85 57.11 1bkx n ARG 308 Cb 0.00 -3.69 -0.11 0.00 -1.05 0.00 0.00 32.46 27.61 1bkx n ARG 308 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1bkx n LYS 309 N -4.59 1.04 -2.77 2.89 4.76 0.29 -4.97 118.16 114.80 1bkx n LYS 309 Ca -0.29 -0.06 -0.36 0.00 -2.87 0.00 0.00 58.31 54.72 1bkx n LYS 309 Cb 0.68 -1.35 -0.06 0.00 -1.84 0.00 0.00 35.03 32.45 1bkx n LYS 309 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bkx s VAL 310 N -2.85 4.21 -0.04 -0.18 1.01 -1.24 -4.97 120.40 116.34 1bkx s VAL 310 Ca 0.02 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1bkx s VAL 310 Cb 0.12 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1bkx s VAL 310 CO 0.72 0.05 0.94 -1.83 0.00 0.00 0.00 175.10 174.97 1bkx s GLU 311 N -2.29 4.50 0.25 2.72 -1.05 -1.26 -4.98 118.70 116.59 1bkx s GLU 311 Ca 0.53 1.32 -0.30 0.00 -0.15 0.00 0.00 54.97 56.37 1bkx s GLU 311 Cb -0.17 -3.48 -0.09 0.00 -0.44 0.00 0.00 34.13 29.95 1bkx s GLU 311 CO 0.22 -0.09 1.14 0.00 0.95 0.00 0.00 175.26 177.48 1bkx s ALA 312 N 1.21 3.42 0.30 -0.84 0.00 -1.26 -4.96 121.76 119.62 1bkx s ALA 312 Ca 0.49 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1bkx s ALA 312 Cb -0.20 -3.36 0.47 0.00 0.00 0.00 0.00 23.12 20.03 1bkx s ALA 312 CO 0.24 -0.25 1.79 -1.00 0.00 0.00 0.00 175.76 176.54 1bkx h PRO 313 N 4.27 0.57 -5.34 0.00 0.13 -1.94 -3.46 132.00 126.23 1bkx h PRO 313 Ca -0.46 -0.16 -0.40 0.00 -0.87 0.00 0.00 66.00 64.11 1bkx h PRO 313 Cb 1.21 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 1bkx h PRO 313 CO 0.69 0.66 -0.72 0.12 -0.23 0.00 0.00 178.00 178.52 1bkx s PHE 314 N -4.80 1.52 0.24 1.56 5.36 -1.26 -5.10 117.98 115.49 1bkx s PHE 314 Ca -0.08 -0.66 -0.18 0.00 -0.96 0.00 0.00 56.93 55.05 1bkx s PHE 314 Cb 0.15 -0.74 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1bkx s PHE 314 CO 0.79 0.23 0.59 0.42 -1.46 0.00 0.00 175.22 175.79 1bkx s ILE 315 N -3.13 0.01 0.09 3.12 -1.09 -1.26 -3.87 121.20 115.06 1bkx s ILE 315 Ca 0.20 -0.98 0.04 0.00 -2.23 0.00 0.00 60.65 57.68 1bkx s ILE 315 Cb 0.01 -1.87 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 1bkx s ILE 315 CO 0.04 -0.04 -0.11 -2.16 -1.23 0.00 0.00 174.94 171.44 1bkx s PRO 316 N -3.92 0.84 -0.31 2.79 0.04 -1.26 -5.05 135.00 128.13 1bkx s PRO 316 Ca 0.13 -1.11 -0.12 0.00 0.04 0.00 0.00 61.00 59.93 1bkx s PRO 316 Cb -0.03 -0.61 -0.03 0.00 0.04 0.00 0.00 34.50 33.87 1bkx s PRO 316 CO 0.03 0.11 0.24 0.21 0.04 0.00 0.00 177.00 177.63 1bkx s LYS 317 N -2.54 3.70 -0.38 4.56 2.47 -1.26 -4.99 119.74 121.30 1bkx s LYS 317 Ca 0.04 -0.47 -0.12 0.00 -1.56 0.00 0.00 55.97 53.85 1bkx s LYS 317 Cb -0.05 -3.74 0.02 0.00 -1.46 0.00 0.00 37.83 32.60 1bkx s LYS 317 CO 0.01 -0.34 0.24 -0.06 0.16 0.00 0.00 175.35 175.36 1bkx s PHE 318 N 1.78 3.24 0.43 4.03 0.40 -1.26 -4.93 117.98 121.66 1bkx s PHE 318 Ca 0.07 -0.77 0.10 0.00 -0.60 0.00 0.00 56.93 55.73 1bkx s PHE 318 Cb -0.17 -2.49 0.95 0.00 0.51 0.00 0.00 43.02 41.82 1bkx s PHE 318 CO 0.11 -0.60 2.04 -0.22 0.70 0.00 0.00 175.22 177.24 1bkx h LYS 319 N 8.50 0.45 0.00 0.44 3.64 -1.95 -3.47 116.57 124.19 1bkx h LYS 319 Ca -0.27 -0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.28 1bkx h LYS 319 Cb 1.11 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1bkx h LYS 319 CO 0.69 0.30 0.54 0.41 -2.27 0.00 0.00 179.45 179.12 1bkx n GLY 320 N -1.50 0.49 3.66 5.01 0.00 -1.26 -5.09 105.19 106.50 1bkx n GLY 320 Ca 0.05 -1.00 -0.45 0.00 0.00 0.00 0.00 46.02 44.62 1bkx n GLY 320 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bkx n PRO 321 N -0.57 2.52 -2.50 1.61 -0.02 -1.26 -2.49 135.00 132.28 1bkx n PRO 321 Ca 0.02 0.91 -0.08 0.00 -2.02 0.00 0.00 63.50 62.33 1bkx n PRO 321 Cb 0.38 -2.86 0.04 0.00 -0.02 0.00 0.00 33.50 31.04 1bkx n PRO 321 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bkx n GLY 322 N 4.58 -0.06 3.52 -1.23 0.00 -1.26 -5.01 105.19 105.74 1bkx n GLY 322 Ca 0.22 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1bkx n GLY 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bkx s ASP 323 N -3.38 6.08 -0.41 1.61 2.15 -1.04 -4.98 116.67 116.71 1bkx s ASP 323 Ca 0.14 -0.46 0.05 0.00 0.43 0.00 0.00 52.55 52.71 1bkx s ASP 323 Cb -0.02 -2.15 0.67 0.00 -0.30 0.00 0.00 42.92 41.12 1bkx s ASP 323 CO 0.37 -0.27 1.87 0.35 -0.17 0.00 0.00 175.17 177.31 1bkx n THR 324 N 5.13 3.08 -0.09 1.71 -2.24 -1.26 -4.52 114.28 116.08 1bkx n THR 324 Ca -0.12 -1.79 -0.12 0.00 -2.27 0.00 0.00 64.05 59.75 1bkx n THR 324 Cb 0.49 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 1bkx n THR 324 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bkx h SER 325 N 1.33 0.55 0.00 3.42 4.64 -1.93 -2.76 113.55 118.79 1bkx h SER 325 Ca 0.54 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1bkx h SER 325 Cb 2.71 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 64.64 1bkx h SER 325 CO 1.00 0.83 0.00 0.59 -0.87 0.00 0.00 176.83 178.37 1bkx n ASN 326 N -4.48 0.00 -4.61 4.97 3.02 -1.26 -4.68 115.26 108.22 1bkx n ASN 326 Ca -0.04 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.00 1bkx n ASN 326 Cb 0.34 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 1bkx n ASN 326 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1bkx s PHE 327 N -2.00 2.50 0.87 3.10 0.40 -1.04 -4.47 117.98 117.33 1bkx s PHE 327 Ca 0.07 -0.54 -0.13 0.00 -0.60 0.00 0.00 56.93 55.73 1bkx s PHE 327 Cb 0.03 -1.59 0.13 0.00 0.51 0.00 0.00 43.02 42.10 1bkx s PHE 327 CO 0.05 0.47 1.22 -0.51 0.70 0.00 0.00 175.22 177.16 1bkx s ASP 328 N -3.70 3.90 -0.33 1.36 1.01 -1.26 -5.06 116.67 112.59 1bkx s ASP 328 Ca 0.35 0.49 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1bkx s ASP 328 Cb 0.04 -0.79 0.08 0.00 1.01 0.00 0.00 42.92 43.26 1bkx s ASP 328 CO 0.18 -2.25 0.05 -1.81 0.21 0.00 0.00 175.17 171.55 1bkx s ASP 329 N -4.72 4.89 0.38 0.27 1.01 -1.26 -4.91 116.67 112.32 1bkx s ASP 329 Ca 0.67 -1.74 0.08 0.00 0.71 0.00 0.00 52.55 52.27 1bkx s ASP 329 Cb -0.08 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1bkx s ASP 329 CO 0.50 -0.36 0.24 -0.31 0.21 0.00 0.00 175.17 175.45 1bkx s TYR 330 N 1.10 2.72 0.27 4.23 1.51 -1.26 -5.09 117.35 120.83 1bkx s TYR 330 Ca 0.02 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 1bkx s TYR 330 Cb -0.20 -1.88 -0.09 0.00 -0.11 0.00 0.00 41.96 39.67 1bkx s TYR 330 CO -0.04 0.15 1.18 -2.00 -1.11 0.00 0.00 175.55 173.73 1bkx s GLU 331 N -3.96 4.53 0.22 -0.62 2.12 -1.26 -4.90 118.70 114.83 1bkx s GLU 331 Ca 0.42 1.94 -0.13 0.00 0.36 0.00 0.00 54.97 57.55 1bkx s GLU 331 Cb -0.02 -3.17 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 1bkx s GLU 331 CO 0.25 0.03 0.61 -1.21 -0.54 0.00 0.00 175.26 174.40 1bkx s GLU 332 N -1.27 3.94 0.32 4.30 0.41 -1.26 -4.99 118.70 120.16 1bkx s GLU 332 Ca 0.48 0.49 0.05 0.00 -0.41 0.00 0.00 54.97 55.57 1bkx s GLU 332 Cb -0.34 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.27 1bkx s GLU 332 CO 0.43 0.34 0.20 -1.21 -0.49 0.00 0.00 175.26 174.53 1bkx s GLU 333 N -2.51 1.68 0.35 1.61 2.02 -1.26 -5.17 118.70 115.42 1bkx s GLU 333 Ca 0.46 -1.97 0.04 0.00 0.02 0.00 0.00 54.97 53.51 1bkx s GLU 333 Cb -0.13 0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 1bkx s GLU 333 CO 0.20 -0.53 0.51 -1.21 0.02 0.00 0.00 175.26 174.25 1bkx s GLU 334 N -3.68 3.17 -0.96 1.61 2.02 -1.26 -5.03 118.70 114.57 1bkx s GLU 334 Ca 0.36 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1bkx s GLU 334 Cb 0.04 -2.75 0.31 0.00 0.10 0.00 0.00 34.13 31.82 1bkx s GLU 334 CO 0.21 0.03 1.42 -0.89 0.02 0.00 0.00 175.26 176.05 1bkx n ILE 335 N -1.73 4.92 -1.41 -1.63 -0.00 -1.26 -5.06 119.36 113.19 1bkx n ILE 335 Ca -0.01 -5.82 -0.40 0.00 -0.00 0.00 0.00 62.75 56.52 1bkx n ILE 335 Cb 0.58 -1.89 0.02 0.00 -0.00 0.00 0.00 39.64 38.35 1bkx n ILE 335 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1bkx n ARG 336 N 0.76 0.40 -3.66 0.38 3.00 -1.26 -5.15 116.66 111.13 1bkx n ARG 336 Ca 0.32 0.15 -0.15 0.00 -0.01 0.00 0.00 57.85 58.16 1bkx n ARG 336 Cb 0.33 -1.44 -0.08 0.00 0.00 0.00 0.00 32.46 31.27 1bkx n ARG 336 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1bkx s VAL 337 N -1.67 0.03 -0.13 1.55 1.01 -1.26 -4.80 120.40 115.13 1bkx s VAL 337 Ca 0.64 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1bkx s VAL 337 Cb -0.53 -0.77 -0.12 0.00 0.00 0.00 0.00 36.38 34.96 1bkx s VAL 337 CO 0.59 -0.15 0.24 2.30 0.00 0.00 0.00 175.10 178.07 1bkx n ILE 339 N 1.16 0.00 -4.95 2.22 -5.35 -1.26 -4.90 119.36 106.28 1bkx n ILE 339 Ca -0.20 -0.23 -0.28 0.00 -0.27 0.00 0.00 62.75 61.77 1bkx n ILE 339 Cb 0.56 0.52 -0.15 0.00 -1.74 0.00 0.00 39.64 38.83 1bkx n ILE 339 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1bkx s ASN 340 N -2.62 2.72 -0.82 7.28 0.01 -1.26 -5.05 114.94 115.21 1bkx s ASN 340 Ca -0.01 -0.48 -0.22 0.00 -0.71 0.00 0.00 52.86 51.43 1bkx s ASN 340 Cb 0.06 -0.27 -0.18 0.00 0.41 0.00 0.00 41.25 41.27 1bkx s ASN 340 CO 0.35 0.24 2.37 1.21 -1.51 0.00 0.00 177.10 179.76 1bkx n GLU 341 N 2.18 0.46 -2.47 -0.60 2.13 -1.26 -4.79 120.64 116.29 1bkx n GLU 341 Ca -0.16 -0.58 -0.41 0.00 0.66 0.00 0.00 57.16 56.67 1bkx n GLU 341 Cb 0.52 -3.04 -0.04 0.00 0.27 0.00 0.00 31.44 29.15 1bkx n GLU 341 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bkx s LYS 342 N 8.47 4.60 -0.80 5.31 2.20 -1.01 -4.04 119.74 134.47 1bkx s LYS 342 Ca 1.03 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 1bkx s LYS 342 Cb -0.32 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1bkx s LYS 342 CO 0.21 0.12 0.00 0.00 -0.36 0.00 0.00 175.35 175.32 1bkx n GLY 344 N -0.69 -0.25 0.02 0.00 0.00 -1.26 -3.86 105.19 99.14 1bkx n GLY 344 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1bkx n GLY 344 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bkx h LYS 345 N 0.10 0.00 0.00 1.61 3.11 -1.93 -3.39 116.57 116.07 1bkx h LYS 345 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1bkx h LYS 345 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1bkx h LYS 345 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.03 1bkx n GLU 346 N -2.82 0.06 -1.96 1.90 4.71 -1.25 -3.17 120.64 118.10 1bkx n GLU 346 Ca -0.01 0.49 -0.26 0.00 -0.01 0.00 0.00 57.16 57.36 1bkx n GLU 346 Cb 0.03 -1.67 0.03 0.00 -1.01 0.00 0.00 31.44 28.82 1bkx n GLU 346 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1bkx n PHE 347 N -1.80 2.90 0.19 -0.32 3.01 -1.26 -4.67 117.46 115.52 1bkx n PHE 347 Ca 0.00 -2.44 0.06 0.00 1.01 0.00 0.00 57.45 56.08 1bkx n PHE 347 Cb 0.07 -0.50 0.38 0.00 -0.01 0.00 0.00 39.48 39.41 1bkx n PHE 347 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1bkx h THR 348 N 2.04 0.94 -0.15 4.37 1.35 -1.74 -3.07 112.91 116.65 1bkx h THR 348 Ca 0.40 -1.40 -0.17 0.00 -0.55 0.00 0.00 66.41 64.69 1bkx h THR 348 Cb 1.33 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1bkx h THR 348 CO 0.91 0.35 -0.61 -0.08 -0.25 0.00 0.00 175.52 175.85 1bkx h GLU 349 N 0.00 0.52 0.00 4.72 4.81 -1.90 -3.52 114.58 119.21 1bkx h GLU 349 Ca -0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1bkx h GLU 349 Cb 0.80 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1bkx h GLU 349 CO 0.05 0.97 0.00 0.34 -0.73 0.00 0.00 179.01 179.64