#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpk h LYS 16 N 0.00 0.51 0.38 1.45 1.79 -2.04 0.28 116.57 118.94 2cpk h LYS 16 Ca 0.00 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2cpk h LYS 16 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2cpk h LYS 16 CO 0.00 0.39 -0.18 0.93 -1.08 0.00 0.00 179.45 179.50 2cpk h GLU 17 N 0.52 -0.50 -0.43 3.15 3.07 -2.06 -0.72 114.58 117.61 2cpk h GLU 17 Ca 0.13 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2cpk h GLU 17 Cb 0.03 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2cpk h GLU 17 CO -0.02 -0.23 0.28 0.35 -1.40 0.00 0.00 179.01 177.99 2cpk h PHE 18 N -0.70 0.55 -0.81 4.33 3.57 -1.88 -2.06 116.94 119.94 2cpk h PHE 18 Ca -0.05 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.57 2cpk h PHE 18 Cb 0.49 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 2cpk h PHE 18 CO -0.01 0.35 0.43 -0.07 -2.23 0.00 0.00 178.31 176.78 2cpk h LEU 19 N 0.58 0.57 0.63 0.59 4.07 -0.38 0.21 115.31 121.58 2cpk h LEU 19 Ca 0.16 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 2cpk h LEU 19 Cb -0.06 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.65 2cpk h LEU 19 CO -0.03 0.30 -0.30 0.00 -1.08 0.00 0.00 178.44 177.32 2cpk h ALA 20 N 1.49 -0.85 -0.01 1.53 0.00 -0.65 0.28 119.26 121.06 2cpk h ALA 20 Ca 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2cpk h ALA 20 Cb 0.47 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2cpk h ALA 20 CO -0.29 -0.96 -0.04 1.57 0.00 0.00 0.00 179.25 179.53 2cpk h LYS 21 N -0.87 0.01 0.00 0.00 2.10 -0.46 0.25 116.57 117.60 2cpk h LYS 21 Ca -0.09 -0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.45 2cpk h LYS 21 Cb 0.66 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.97 2cpk h LYS 21 CO 0.14 0.05 -0.51 0.00 -2.00 0.00 0.00 179.45 177.13 2cpk h ALA 22 N 1.95 0.80 -0.15 0.07 0.00 -0.30 -2.86 119.26 118.76 2cpk h ALA 22 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 2cpk h ALA 22 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2cpk h ALA 22 CO 0.00 0.64 -0.60 -0.22 0.00 0.00 0.00 179.25 179.08 2cpk h LYS 23 N 0.00 0.51 -0.56 0.00 3.64 0.17 -2.62 116.57 117.71 2cpk h LYS 23 Ca -0.01 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 2cpk h LYS 23 Cb 1.19 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2cpk h LYS 23 CO 0.07 0.96 -0.03 0.93 -2.27 0.00 0.00 179.45 179.11 2cpk h GLU 24 N 0.38 1.01 -0.43 1.90 5.08 -1.30 -0.51 114.58 120.72 2cpk h GLU 24 Ca -0.00 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 2cpk h GLU 24 Cb 1.15 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2cpk h GLU 24 CO 0.11 1.02 -0.16 0.22 -1.00 0.00 0.00 179.01 179.20 2cpk h ASP 25 N 0.89 0.81 -0.14 1.42 3.58 -1.53 -0.80 116.42 120.66 2cpk h ASP 25 Ca 0.16 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.39 2cpk h ASP 25 Cb 0.58 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 2cpk h ASP 25 CO 0.03 0.97 -0.26 0.15 -2.88 0.00 0.00 179.24 177.25 2cpk h PHE 26 N 0.72 -0.70 -0.18 0.28 3.57 -0.98 -1.09 116.94 118.55 2cpk h PHE 26 Ca 0.11 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 2cpk h PHE 26 Cb 0.67 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2cpk h PHE 26 CO 0.04 -0.34 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.37 2cpk h LEU 27 N -0.33 0.39 -0.56 0.59 3.38 -0.42 0.41 115.31 118.77 2cpk h LEU 27 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2cpk h LEU 27 Cb 0.48 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2cpk h LEU 27 CO -0.32 0.70 0.34 0.11 0.09 0.00 0.00 178.44 179.36 2cpk h LYS 28 N 0.33 0.76 0.00 1.13 1.79 -0.17 0.14 116.57 120.54 2cpk h LYS 28 Ca 0.04 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 2cpk h LYS 28 Cb 0.75 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2cpk h LYS 28 CO 0.06 0.55 -0.70 0.87 -1.08 0.00 0.00 179.45 179.14 2cpk h LYS 29 N 0.75 0.00 -0.72 3.15 1.79 -0.78 -2.92 116.57 117.84 2cpk h LYS 29 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2cpk h LYS 29 Cb -0.02 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 2cpk h LYS 29 CO -0.04 0.56 0.46 2.35 -1.08 0.00 0.00 179.45 181.70 2cpk h TRP 30 N 0.00 0.93 0.08 -1.35 2.91 0.20 -2.34 115.95 116.37 2cpk h TRP 30 Ca -0.03 0.01 -0.28 0.00 1.13 0.00 0.00 58.89 59.73 2cpk h TRP 30 Cb 1.48 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 2cpk h TRP 30 CO 0.00 0.60 -1.38 0.93 -1.03 0.00 0.00 178.44 177.56 2cpk h GLU 31 N 0.98 0.17 -2.82 2.65 5.08 -0.69 -3.37 114.58 116.58 2cpk h GLU 31 Ca 0.26 -0.29 -0.61 0.00 -1.00 0.00 0.00 59.36 57.72 2cpk h GLU 31 Cb -0.08 0.11 -0.40 0.00 0.50 0.00 0.00 28.75 28.88 2cpk h GLU 31 CO -0.05 1.04 -0.76 0.99 -1.00 0.00 0.00 179.01 179.22 2cpk s THR 32 N -2.64 1.49 0.75 1.13 2.01 -1.11 -5.10 115.64 112.16 2cpk s THR 32 Ca -0.05 -3.07 -0.15 0.00 0.31 0.00 0.00 61.69 58.73 2cpk s THR 32 Cb 0.08 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.62 2cpk s THR 32 CO 0.85 -1.03 1.21 -2.16 -0.69 0.00 0.00 174.62 172.80 2cpk s PRO 33 N -0.25 2.02 0.51 4.92 0.04 -0.89 -4.67 135.00 136.68 2cpk s PRO 33 Ca 0.24 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 2cpk s PRO 33 Cb -0.10 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2cpk s PRO 33 CO -0.11 -1.93 0.88 -1.54 0.04 0.00 0.00 177.00 174.34 2cpk s SER 34 N -2.03 6.35 -0.27 6.66 1.04 -1.26 -5.09 113.70 119.09 2cpk s SER 34 Ca 0.75 1.20 -0.22 0.00 0.48 0.00 0.00 55.95 58.16 2cpk s SER 34 Cb -0.30 -2.36 0.08 0.00 0.10 0.00 0.00 66.02 63.54 2cpk s SER 34 CO 0.46 -0.64 0.72 -1.58 0.98 0.00 0.00 173.24 173.19 2cpk s GLN 35 N -4.63 0.77 -1.20 4.02 0.74 -1.26 -4.97 119.66 113.14 2cpk s GLN 35 Ca 0.52 1.07 -0.24 0.00 0.05 0.00 0.00 55.36 56.75 2cpk s GLN 35 Cb -0.10 0.30 0.01 0.00 1.10 0.00 0.00 33.01 34.32 2cpk s GLN 35 CO 0.44 -0.12 0.70 -1.71 -0.55 0.00 0.00 175.29 174.05 2cpk n ASN 36 N 3.29 -4.33 0.00 6.67 5.15 -1.12 -4.94 115.26 119.98 2cpk n ASN 36 Ca -0.16 -1.13 0.13 0.00 -0.60 0.00 0.00 54.58 52.81 2cpk n ASN 36 Cb 0.57 -2.65 0.62 0.00 -0.53 0.00 0.00 39.78 37.79 2cpk n ASN 36 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2cpk n THR 37 N -4.55 0.20 -3.74 -0.44 -1.04 -0.43 -4.90 114.28 99.37 2cpk n THR 37 Ca -0.12 0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 2cpk n THR 37 Cb 0.59 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.46 2cpk n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cpk s ALA 38 N -2.66 -1.38 0.27 2.41 0.00 -1.26 -4.84 121.76 114.30 2cpk s ALA 38 Ca 0.22 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.22 2cpk s ALA 38 Cb 0.17 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 24.05 2cpk s ALA 38 CO 0.41 -0.97 -0.10 -0.65 0.00 0.00 0.00 175.76 174.45 2cpk s GLN 39 N -3.78 1.55 0.13 0.00 -1.52 -1.26 -4.67 119.66 110.11 2cpk s GLN 39 Ca 0.09 -1.76 -0.15 0.00 -1.95 0.00 0.00 55.36 51.60 2cpk s GLN 39 Cb -0.04 -1.29 -0.01 0.00 -0.22 0.00 0.00 33.01 31.45 2cpk s GLN 39 CO 0.01 0.12 1.60 1.25 -0.25 0.00 0.00 175.29 178.02 2cpk h LEU 40 N 2.31 0.68 -1.46 2.90 6.46 -1.97 -3.10 115.31 121.12 2cpk h LEU 40 Ca -0.40 -0.28 0.45 0.00 -0.12 0.00 0.00 57.88 57.54 2cpk h LEU 40 Cb 1.24 -0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 40.89 2cpk h LEU 40 CO 0.65 0.78 1.01 0.47 -0.62 0.00 0.00 178.44 180.74 2cpk n ASP 41 N -4.48 0.08 0.00 1.25 9.92 -1.26 0.39 116.55 122.46 2cpk n ASP 41 Ca -0.00 1.00 0.14 0.00 -0.53 0.00 0.00 54.79 55.39 2cpk n ASP 41 Cb 0.26 -0.49 0.80 0.00 -0.64 0.00 0.00 41.12 41.04 2cpk n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cpk n GLN 42 N -3.98 0.81 -4.32 -1.24 3.00 -1.17 -4.89 117.38 105.58 2cpk n GLN 42 Ca 0.37 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.11 2cpk n GLN 42 Cb 1.56 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 30.17 2cpk n GLN 42 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2cpk s PHE 43 N -2.07 1.92 -0.20 1.08 0.08 0.16 -0.52 117.98 118.43 2cpk s PHE 43 Ca 0.39 -0.42 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 2cpk s PHE 43 Cb 0.19 -1.02 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 2cpk s PHE 43 CO 0.33 0.27 -0.06 -0.51 -0.10 0.00 0.00 175.22 175.15 2cpk s ASP 44 N -2.11 4.26 -0.23 1.36 1.01 0.15 -4.87 116.67 116.23 2cpk s ASP 44 Ca 0.10 -0.37 -0.29 0.00 0.71 0.00 0.00 52.55 52.70 2cpk s ASP 44 Cb -0.09 -1.72 -0.01 0.00 1.01 0.00 0.00 42.92 42.11 2cpk s ASP 44 CO 0.05 0.02 1.39 0.00 0.21 0.00 0.00 175.17 176.84 2cpk s ARG 45 N 1.25 3.99 -0.20 8.23 1.70 -1.26 -1.05 118.95 131.61 2cpk s ARG 45 Ca 0.03 1.53 -0.12 0.00 -0.47 0.00 0.00 55.73 56.70 2cpk s ARG 45 Cb -0.14 -3.89 -0.09 0.00 -0.57 0.00 0.00 34.95 30.26 2cpk s ARG 45 CO -0.02 -1.03 -0.29 -0.89 -1.08 0.00 0.00 175.30 171.99 2cpk n ILE 46 N 5.97 1.30 -3.55 4.99 5.41 -0.36 -4.98 119.36 128.14 2cpk n ILE 46 Ca 0.16 -0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.59 2cpk n ILE 46 Cb 0.45 -1.91 -0.05 0.00 -0.71 0.00 0.00 39.64 37.42 2cpk n ILE 46 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2cpk s LYS 47 N -2.50 0.73 -0.01 0.38 2.20 -1.21 -4.95 119.74 114.39 2cpk s LYS 47 Ca -0.30 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.14 2cpk s LYS 47 Cb 0.10 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2cpk s LYS 47 CO 0.39 -0.24 1.08 0.99 -0.36 0.00 0.00 175.35 177.21 2cpk s THR 48 N -1.34 4.53 -1.34 3.43 2.01 -1.26 -0.36 115.64 121.31 2cpk s THR 48 Ca -0.03 1.82 0.16 0.00 0.31 0.00 0.00 61.69 63.94 2cpk s THR 48 Cb -0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2cpk s THR 48 CO 0.03 0.10 0.82 0.18 -0.69 0.00 0.00 174.62 175.05 2cpk n LEU 49 N 4.26 1.46 0.00 4.42 4.77 0.55 -4.42 117.00 128.04 2cpk n LEU 49 Ca 0.08 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2cpk n LEU 49 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2cpk n LEU 49 CO 0.53 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2cpk n GLY 50 N 1.19 0.51 3.38 -0.72 0.00 -1.18 -4.77 105.19 103.60 2cpk n GLY 50 Ca 0.06 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2cpk n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cpk s THR 51 N -2.00 1.18 0.36 2.61 2.01 -1.26 -2.39 115.64 116.15 2cpk s THR 51 Ca 0.00 -2.04 -0.16 0.00 0.31 0.00 0.00 61.69 59.79 2cpk s THR 51 Cb 0.00 -2.47 0.06 0.00 0.01 0.00 0.00 72.50 70.10 2cpk s THR 51 CO 0.00 -0.24 0.83 -0.83 -0.69 0.00 0.00 174.62 173.69 2cpk s GLY 52 N -3.37 0.35 0.41 4.40 0.00 -0.87 -4.95 107.32 103.28 2cpk s GLY 52 Ca 0.31 -0.71 0.15 0.00 0.00 0.00 0.00 44.72 44.47 2cpk s GLY 52 CO 0.11 0.08 1.90 1.76 0.00 0.00 0.00 173.10 176.95 2cpk h SER 53 N 2.00 0.00 0.00 1.64 0.02 -2.03 -3.28 113.55 111.90 2cpk h SER 53 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2cpk h SER 53 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2cpk h SER 53 CO 0.41 0.28 0.00 0.49 -1.14 0.00 0.00 176.83 176.87 2cpk n PHE 54 N -4.11 0.00 -2.60 3.45 3.72 -1.26 -5.07 117.46 111.59 2cpk n PHE 54 Ca -0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2cpk n PHE 54 Cb 0.34 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 2cpk n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cpk n GLY 55 N -0.09 -0.58 3.33 1.37 0.00 -1.24 -3.94 105.19 104.04 2cpk n GLY 55 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 2cpk n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cpk s ARG 56 N -0.63 1.13 -0.11 1.61 1.70 -0.51 -2.06 118.95 120.09 2cpk s ARG 56 Ca 0.00 -1.14 0.03 0.00 -0.47 0.00 0.00 55.73 54.15 2cpk s ARG 56 Cb 0.00 0.38 -0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2cpk s ARG 56 CO 0.00 -0.41 -0.22 0.08 -1.08 0.00 0.00 175.30 173.67 2cpk s VAL 57 N -3.95 2.25 0.05 4.99 1.01 -1.01 0.37 120.40 124.11 2cpk s VAL 57 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2cpk s VAL 57 Cb 0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2cpk s VAL 57 CO -0.01 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.56 2cpk s MET 58 N 0.36 0.60 0.18 2.72 0.23 -0.24 -0.33 119.30 122.82 2cpk s MET 58 Ca -0.17 -0.89 -0.30 0.00 -1.03 0.00 0.00 55.69 53.30 2cpk s MET 58 Cb -0.18 -0.27 -0.08 0.00 -1.53 0.00 0.00 34.83 32.77 2cpk s MET 58 CO 0.08 0.03 1.26 -1.17 -2.03 0.00 0.00 175.02 173.20 2cpk s LEU 59 N -1.92 4.42 0.07 0.18 0.20 0.51 -0.95 118.68 121.19 2cpk s LEU 59 Ca -0.05 2.32 0.01 0.00 0.69 0.00 0.00 54.13 57.10 2cpk s LEU 59 Cb -0.06 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 2cpk s LEU 59 CO -0.01 -0.47 -0.06 0.54 -0.29 0.00 0.00 176.35 176.06 2cpk s VAL 60 N 0.13 0.54 -0.07 1.68 0.11 0.38 -1.22 120.40 121.94 2cpk s VAL 60 Ca 0.56 -1.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.08 2cpk s VAL 60 Cb -0.35 -1.19 0.01 0.00 -1.53 0.00 0.00 36.38 33.33 2cpk s VAL 60 CO 0.37 -0.69 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.55 2cpk s LYS 61 N -2.89 1.98 -0.74 1.54 2.20 -0.22 -1.15 119.74 120.45 2cpk s LYS 61 Ca 0.02 -0.51 -0.26 0.00 -0.36 0.00 0.00 55.97 54.85 2cpk s LYS 61 Cb -0.01 -1.59 0.03 0.00 -1.51 0.00 0.00 37.83 34.75 2cpk s LYS 61 CO -0.03 0.05 1.26 -1.58 -0.36 0.00 0.00 175.35 174.69 2cpk s HIS 62 N 0.61 2.32 0.08 4.03 5.65 0.01 0.29 115.29 128.29 2cpk s HIS 62 Ca -0.15 -0.12 -0.12 0.00 0.25 0.00 0.00 55.06 54.92 2cpk s HIS 62 Cb -0.16 -4.60 0.01 0.00 -1.18 0.00 0.00 32.58 26.65 2cpk s HIS 62 CO 0.05 -2.04 0.68 1.63 -0.65 0.00 0.00 174.74 174.41 2cpk n LYS 63 N 9.21 -0.17 -0.06 2.88 4.76 0.32 -0.06 118.16 135.04 2cpk n LYS 63 Ca 0.03 0.67 -0.07 0.00 -2.87 0.00 0.00 58.31 56.08 2cpk n LYS 63 Cb 0.49 -0.99 0.11 0.00 -1.84 0.00 0.00 35.03 32.80 2cpk n LYS 63 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2cpk h GLU 64 N 0.00 0.71 0.00 1.97 3.07 -1.91 -3.28 114.58 115.14 2cpk h GLU 64 Ca 0.10 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 2cpk h GLU 64 Cb 0.21 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2cpk h GLU 64 CO -0.42 0.88 -1.01 -1.13 -1.40 0.00 0.00 179.01 175.92 2cpk n SER 65 N -4.11 0.83 -2.95 1.42 3.41 -0.19 -4.98 113.62 107.05 2cpk n SER 65 Ca -0.00 -0.74 -0.22 0.00 -0.26 0.00 0.00 58.87 57.65 2cpk n SER 65 Cb 0.43 1.16 0.02 0.00 -0.26 0.00 0.00 64.21 65.56 2cpk n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cpk n GLY 66 N 1.42 -0.52 3.68 5.00 0.00 0.91 -5.00 105.19 110.68 2cpk n GLY 66 Ca 0.02 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2cpk n GLY 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cpk s ASN 67 N -2.59 5.01 0.02 1.61 3.84 -1.25 -4.89 114.94 116.69 2cpk s ASN 67 Ca 0.26 -0.16 0.01 0.00 0.21 0.00 0.00 52.86 53.18 2cpk s ASN 67 Cb -0.12 -1.20 -0.04 0.00 -0.55 0.00 0.00 41.25 39.34 2cpk s ASN 67 CO 0.32 0.19 0.07 -1.00 -2.79 0.00 0.00 177.10 173.90 2cpk s HIS 68 N -1.27 3.24 0.11 0.43 3.76 -1.26 -0.81 115.29 119.49 2cpk s HIS 68 Ca 0.25 0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 55.26 2cpk s HIS 68 Cb -0.12 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2cpk s HIS 68 CO 0.17 0.53 0.12 0.71 -0.85 0.00 0.00 174.74 175.42 2cpk s TYR 69 N -1.24 0.51 -0.16 1.40 2.02 -0.30 -4.16 117.35 115.42 2cpk s TYR 69 Ca 0.24 -0.93 -0.07 0.00 -0.37 0.00 0.00 57.07 55.94 2cpk s TYR 69 Cb -0.12 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 2cpk s TYR 69 CO 0.16 -0.54 0.06 0.00 -1.57 0.00 0.00 175.55 173.66 2cpk s ALA 70 N -3.96 3.44 -0.13 3.71 0.00 0.04 -0.47 121.76 124.39 2cpk s ALA 70 Ca 0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 2cpk s ALA 70 Cb 0.06 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2cpk s ALA 70 CO -0.04 0.28 -0.10 1.41 0.00 0.00 0.00 175.76 177.31 2cpk s MET 71 N 0.05 3.40 -0.51 0.00 1.75 -0.13 -0.44 119.30 123.41 2cpk s MET 71 Ca 0.06 -0.63 -0.10 0.00 -1.25 0.00 0.00 55.69 53.77 2cpk s MET 71 Cb -0.12 -2.70 0.13 0.00 2.84 0.00 0.00 34.83 34.98 2cpk s MET 71 CO 0.01 0.27 0.40 0.21 -0.65 0.00 0.00 175.02 175.25 2cpk s LYS 72 N 0.23 2.61 0.13 4.11 2.20 0.96 -1.08 119.74 128.90 2cpk s LYS 72 Ca -0.07 -1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 53.38 2cpk s LYS 72 Cb -0.15 -3.98 -0.06 0.00 -1.51 0.00 0.00 37.83 32.12 2cpk s LYS 72 CO 0.04 -1.21 0.97 0.42 -0.36 0.00 0.00 175.35 175.21 2cpk s ILE 73 N 1.21 4.39 -0.07 5.43 1.01 0.16 -2.45 121.20 130.88 2cpk s ILE 73 Ca 0.07 2.03 0.03 0.00 0.00 0.00 0.00 60.65 62.78 2cpk s ILE 73 Cb -0.25 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2cpk s ILE 73 CO -0.01 0.33 -0.16 -0.76 0.00 0.00 0.00 174.94 174.34 2cpk s LEU 74 N -0.16 1.81 -0.27 2.97 2.01 -0.47 -1.42 118.68 123.16 2cpk s LEU 74 Ca 0.47 -0.37 -0.22 0.00 0.01 0.00 0.00 54.13 54.02 2cpk s LEU 74 Cb -0.24 -0.99 -0.01 0.00 0.01 0.00 0.00 46.19 44.95 2cpk s LEU 74 CO 0.31 0.09 0.69 -0.62 1.01 0.00 0.00 176.35 177.83 2cpk s ASP 75 N 0.44 6.63 0.31 2.29 -1.08 -1.25 -0.55 116.67 123.45 2cpk s ASP 75 Ca -0.13 0.72 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 2cpk s ASP 75 Cb -0.15 -2.36 0.53 0.00 -1.46 0.00 0.00 42.92 39.47 2cpk s ASP 75 CO 0.05 -0.45 1.93 0.11 0.52 0.00 0.00 175.17 177.33 2cpk h LYS 76 N 7.93 1.00 -0.03 4.34 1.57 -1.62 -1.02 116.57 128.73 2cpk h LYS 76 Ca -0.26 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.25 2cpk h LYS 76 Cb 1.11 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2cpk h LYS 76 CO 0.81 0.66 -0.86 1.96 -0.57 0.00 0.00 179.45 181.45 2cpk h GLN 77 N 1.03 0.41 -0.50 3.15 4.20 -1.93 -0.63 115.11 120.84 2cpk h GLN 77 Ca 0.36 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2cpk h GLN 77 Cb 0.11 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2cpk h GLN 77 CO -0.12 1.06 0.08 -0.22 -0.67 0.00 0.00 178.83 178.96 2cpk h LYS 78 N 0.25 0.82 -0.63 1.46 1.63 -1.84 0.15 116.57 118.41 2cpk h LYS 78 Ca -0.06 -0.22 0.02 0.00 -0.85 0.00 0.00 60.65 59.54 2cpk h LYS 78 Cb 1.48 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.98 2cpk h LYS 78 CO 0.15 0.82 0.40 0.28 -3.45 0.00 0.00 179.45 177.65 2cpk h VAL 79 N 0.70 1.12 -0.10 2.00 2.07 -1.00 -1.17 116.25 119.88 2cpk h VAL 79 Ca 0.15 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 2cpk h VAL 79 Cb 0.39 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2cpk h VAL 79 CO 0.01 0.15 -0.51 0.58 0.02 0.00 0.00 177.57 177.82 2cpk h VAL 80 N 0.81 1.35 0.01 2.57 2.07 -0.40 -0.52 116.25 122.13 2cpk h VAL 80 Ca 0.24 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2cpk h VAL 80 Cb -0.03 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2cpk h VAL 80 CO -0.08 0.52 -0.00 0.11 0.02 0.00 0.00 177.57 178.14 2cpk h LYS 81 N 0.21 -0.01 0.00 1.57 1.57 -0.12 -2.21 116.57 117.58 2cpk h LYS 81 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2cpk h LYS 81 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2cpk h LYS 81 CO 0.08 0.33 0.00 1.28 -0.57 0.00 0.00 179.45 180.57 2cpk n LEU 82 N -4.93 0.00 -1.75 2.94 4.77 -0.50 -4.80 117.00 112.73 2cpk n LEU 82 Ca -0.08 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.75 2cpk n LEU 82 Cb 0.18 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2cpk n LEU 82 CO 0.33 0.00 -0.19 0.29 -1.33 0.00 0.00 177.39 176.50 2cpk n LYS 83 N -0.60 -1.30 -0.67 3.23 4.01 -0.83 -4.93 118.16 117.07 2cpk n LYS 83 Ca 0.03 0.73 0.07 0.00 -0.51 0.00 0.00 58.31 58.63 2cpk n LYS 83 Cb 0.01 -5.08 0.34 0.00 -0.51 0.00 0.00 35.03 29.79 2cpk n LYS 83 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2cpk n GLN 84 N -2.48 3.94 0.06 1.97 1.13 -0.21 -4.50 117.38 117.29 2cpk n GLN 84 Ca -0.18 -2.65 -0.13 0.00 -1.94 0.00 0.00 57.00 52.11 2cpk n GLN 84 Cb 0.64 -2.01 -0.08 0.00 0.11 0.00 0.00 30.24 28.90 2cpk n GLN 84 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2cpk h ILE 85 N 3.56 1.02 0.00 5.09 2.04 -1.89 -1.85 117.51 125.48 2cpk h ILE 85 Ca 0.00 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2cpk h ILE 85 Cb 1.57 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2cpk h ILE 85 CO 0.33 0.07 -0.36 -0.08 0.00 0.00 0.00 178.15 178.10 2cpk h GLU 86 N -0.21 0.00 0.00 2.37 4.57 -1.96 -2.70 114.58 116.65 2cpk h GLU 86 Ca -0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2cpk h GLU 86 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2cpk h GLU 86 CO 0.02 0.36 -0.33 0.45 -1.18 0.00 0.00 179.01 178.33 2cpk h HIS 87 N 0.00 0.00 -0.19 0.92 3.86 -1.67 -2.88 115.15 115.19 2cpk h HIS 87 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 2cpk h HIS 87 Cb 0.93 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2cpk h HIS 87 CO 0.00 0.33 -0.28 1.15 0.86 0.00 0.00 177.93 179.98 2cpk h THR 88 N 0.00 1.27 0.10 2.45 2.02 -1.02 -1.18 112.91 116.54 2cpk h THR 88 Ca -0.00 -1.27 -0.25 0.00 0.77 0.00 0.00 66.41 65.66 2cpk h THR 88 Cb 1.00 1.43 0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2cpk h THR 88 CO 0.04 0.39 -1.02 -0.07 0.37 0.00 0.00 175.52 175.24 2cpk h LEU 89 N 0.33 0.73 -1.16 2.58 3.38 -1.57 -2.05 115.31 117.54 2cpk h LEU 89 Ca 0.05 -0.83 0.08 0.00 0.09 0.00 0.00 57.88 57.26 2cpk h LEU 89 Cb 0.67 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2cpk h LEU 89 CO 0.05 1.49 0.58 0.78 0.09 0.00 0.00 178.44 181.43 2cpk h ASN 90 N 0.07 0.86 0.04 -0.43 2.35 -1.30 0.26 115.58 117.43 2cpk h ASN 90 Ca -0.16 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2cpk h ASN 90 Cb 1.73 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.93 2cpk h ASN 90 CO 0.20 0.53 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.41 2cpk h GLU 91 N 0.97 -0.05 -0.53 0.81 4.81 -1.10 0.22 114.58 119.71 2cpk h GLU 91 Ca 0.40 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 2cpk h GLU 91 Cb 0.29 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2cpk h GLU 91 CO -0.16 0.09 0.26 -0.22 -0.73 0.00 0.00 179.01 178.25 2cpk h LYS 92 N -0.17 0.76 -0.13 1.92 3.64 -1.06 -0.31 116.57 121.21 2cpk h LYS 92 Ca -0.00 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 2cpk h LYS 92 Cb 0.16 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2cpk h LYS 92 CO 0.01 0.62 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.40 2cpk h ARG 93 N 0.71 0.46 -0.62 1.90 2.43 -0.78 -1.76 114.38 116.72 2cpk h ARG 93 Ca 0.18 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2cpk h ARG 93 Cb 0.10 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2cpk h ARG 93 CO -0.02 0.92 0.13 0.82 -1.51 0.00 0.00 179.97 180.31 2cpk h ILE 94 N 0.06 1.25 -0.58 1.20 5.03 -0.94 -3.05 117.51 120.47 2cpk h ILE 94 Ca -0.00 -0.94 -0.05 0.00 -0.12 0.00 0.00 64.86 63.75 2cpk h ILE 94 Cb 0.93 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 35.33 2cpk h ILE 94 CO 0.07 0.35 0.16 -0.07 -0.68 0.00 0.00 178.15 177.99 2cpk h LEU 95 N 0.94 0.86 -1.77 1.44 3.38 -0.81 -1.45 115.31 117.89 2cpk h LEU 95 Ca 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2cpk h LEU 95 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2cpk h LEU 95 CO 0.00 0.85 0.00 0.06 0.09 0.00 0.00 178.44 179.45 2cpk h GLN 96 N 0.83 0.00 0.00 1.13 -0.00 -1.37 -3.09 115.11 112.60 2cpk h GLN 96 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 2cpk h GLN 96 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.79 2cpk h GLN 96 CO -0.00 0.00 -1.23 0.00 -0.00 0.00 0.00 178.83 177.59 2cpk n ALA 97 N -2.08 4.27 -2.30 0.06 0.00 -0.64 -4.89 120.51 114.93 2cpk n ALA 97 Ca -0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 2cpk n ALA 97 Cb 0.25 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 18.95 2cpk n ALA 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2cpk s VAL 98 N -3.11 3.71 -0.30 0.00 -7.23 -0.65 -4.45 120.40 108.37 2cpk s VAL 98 Ca 0.04 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 2cpk s VAL 98 Cb 0.15 -3.30 0.17 0.00 0.56 0.00 0.00 36.38 33.97 2cpk s VAL 98 CO 0.87 -0.14 0.72 0.21 -0.31 0.00 0.00 175.10 176.45 2cpk s ASN 99 N -4.24 -1.10 0.05 4.85 2.47 -1.26 -4.98 114.94 110.73 2cpk s ASN 99 Ca 0.49 0.90 -0.13 0.00 0.42 0.00 0.00 52.86 54.54 2cpk s ASN 99 Cb -0.10 2.01 0.02 0.00 -1.45 0.00 0.00 41.25 41.73 2cpk s ASN 99 CO 0.34 -0.21 0.29 0.12 -3.72 0.00 0.00 177.10 173.91 2cpk s PHE 100 N 2.85 -0.07 0.59 0.43 5.36 -1.26 -5.08 117.98 120.79 2cpk s PHE 100 Ca 0.10 -0.10 0.28 0.00 -0.96 0.00 0.00 56.93 56.25 2cpk s PHE 100 Cb -0.13 0.08 1.73 0.00 -0.34 0.00 0.00 43.02 44.36 2cpk s PHE 100 CO -0.19 -0.50 2.20 -1.35 -1.46 0.00 0.00 175.22 173.92 2cpk h PRO 101 N 3.19 0.00 -0.68 10.12 0.10 -1.98 -3.16 132.00 139.59 2cpk h PRO 101 Ca -0.32 0.00 -0.45 0.00 0.10 0.00 0.00 66.00 65.33 2cpk h PRO 101 Cb 1.20 0.00 -0.28 0.00 0.10 0.00 0.00 31.00 32.02 2cpk h PRO 101 CO 0.47 0.00 -0.12 1.19 0.10 0.00 0.00 178.00 179.64 2cpk n PHE 102 N -3.88 2.29 -4.34 0.65 3.72 -1.26 -4.91 117.46 109.73 2cpk n PHE 102 Ca -0.01 -2.20 -0.20 0.00 -0.05 0.00 0.00 57.45 54.98 2cpk n PHE 102 Cb 0.17 -0.68 -0.15 0.00 -0.94 0.00 0.00 39.48 37.87 2cpk n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2cpk s LEU 103 N -3.53 1.74 0.57 4.37 1.43 -1.20 -1.22 118.68 120.84 2cpk s LEU 103 Ca 0.52 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 2cpk s LEU 103 Cb 0.44 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 2cpk s LEU 103 CO 0.01 0.05 1.07 0.68 0.23 0.00 0.00 176.35 178.39 2cpk s VAL 104 N 0.27 3.62 -0.04 -1.59 -7.23 -0.68 -4.71 120.40 110.03 2cpk s VAL 104 Ca -0.04 0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 60.81 2cpk s VAL 104 Cb -0.09 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.46 2cpk s VAL 104 CO 0.00 -0.36 0.51 -0.54 -0.31 0.00 0.00 175.10 174.40 2cpk s LYS 105 N -3.74 4.22 -0.17 4.82 -0.14 -1.26 -4.98 119.74 118.49 2cpk s LYS 105 Ca 0.66 0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 55.67 2cpk s LYS 105 Cb -0.18 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 2cpk s LYS 105 CO 0.32 0.40 0.41 -1.17 -0.76 0.00 0.00 175.35 174.54 2cpk s LEU 106 N -0.20 4.21 -0.25 3.17 2.96 -1.26 -2.00 118.68 125.31 2cpk s LEU 106 Ca 0.27 0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 54.73 2cpk s LEU 106 Cb -0.17 -2.55 -0.13 0.00 0.50 0.00 0.00 46.19 43.84 2cpk s LEU 106 CO 0.14 -0.03 -0.28 1.21 -1.32 0.00 0.00 176.35 176.07 2cpk n GLU 107 N 4.09 0.56 -3.94 1.98 4.07 0.14 -4.89 120.64 122.65 2cpk n GLU 107 Ca -0.08 0.19 -0.10 0.00 -0.06 0.00 0.00 57.16 57.11 2cpk n GLU 107 Cb 0.51 -1.44 -0.12 0.00 -0.06 0.00 0.00 31.44 30.34 2cpk n GLU 107 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2cpk s PHE 108 N -2.47 0.17 0.02 4.31 0.08 -0.53 -4.99 117.98 114.57 2cpk s PHE 108 Ca -0.34 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.40 2cpk s PHE 108 Cb 0.11 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.43 2cpk s PHE 108 CO 0.49 -0.12 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.86 2cpk s SER 109 N -0.92 1.09 0.33 1.36 1.04 -1.26 -0.10 113.70 115.24 2cpk s SER 109 Ca -0.10 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 55.81 2cpk s SER 109 Cb -0.06 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.03 2cpk s SER 109 CO -0.01 0.00 0.77 0.72 0.98 0.00 0.00 173.24 175.70 2cpk s PHE 110 N -0.67 -0.03 0.29 5.02 -0.71 -0.94 -1.32 117.98 119.63 2cpk s PHE 110 Ca -0.01 -0.53 0.07 0.00 -1.04 0.00 0.00 56.93 55.42 2cpk s PHE 110 Cb -0.06 0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 42.50 2cpk s PHE 110 CO 0.00 -1.39 0.24 0.36 -1.34 0.00 0.00 175.22 173.10 2cpk n LYS 111 N -0.50 0.37 -1.51 1.99 2.85 -1.26 -0.68 118.16 119.42 2cpk n LYS 111 Ca -0.06 -2.94 -0.01 0.00 -1.05 0.00 0.00 58.31 54.25 2cpk n LYS 111 Cb 0.59 2.38 0.00 0.00 -0.65 0.00 0.00 35.03 37.36 2cpk n LYS 111 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2cpk n ASP 112 N -1.83 -0.34 -0.36 -5.58 5.68 -0.39 -4.96 116.55 108.77 2cpk n ASP 112 Ca 0.06 -1.23 0.08 0.00 -0.50 0.00 0.00 54.79 53.21 2cpk n ASP 112 Cb 0.53 0.56 0.26 0.00 -1.14 0.00 0.00 41.12 41.34 2cpk n ASP 112 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2cpk h ASN 113 N 0.31 0.89 0.00 -1.12 -0.26 -1.96 -3.25 115.58 110.19 2cpk h ASN 113 Ca -0.05 0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 2cpk h ASN 113 Cb 0.19 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2cpk h ASN 113 CO 0.06 0.45 -1.56 -1.20 -1.06 0.00 0.00 177.43 174.13 2cpk n SER 114 N -4.64 2.42 -4.23 5.81 7.64 -1.26 -1.23 113.62 118.13 2cpk n SER 114 Ca 0.20 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.89 2cpk n SER 114 Cb 0.40 1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 64.87 2cpk n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2cpk s ASN 115 N -3.49 1.69 0.06 6.43 0.01 -1.23 -1.60 114.94 116.81 2cpk s ASN 115 Ca -0.04 -1.47 0.09 0.00 -0.71 0.00 0.00 52.86 50.73 2cpk s ASN 115 Cb 0.06 0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.91 2cpk s ASN 115 CO 0.46 -0.78 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.26 2cpk s LEU 116 N -3.40 2.20 -0.00 0.60 1.43 0.29 -1.26 118.68 118.53 2cpk s LEU 116 Ca 0.35 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2cpk s LEU 116 Cb 0.07 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2cpk s LEU 116 CO 0.15 0.23 -0.07 -0.31 0.23 0.00 0.00 176.35 176.58 2cpk s TYR 117 N -0.86 0.61 -0.07 0.29 1.51 0.14 -1.36 117.35 117.61 2cpk s TYR 117 Ca 0.12 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 2cpk s TYR 117 Cb -0.10 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 2cpk s TYR 117 CO 0.03 -0.01 -0.17 -1.64 -1.11 0.00 0.00 175.55 172.65 2cpk s MET 118 N -0.19 2.14 -0.06 -0.62 -1.94 -1.03 -2.21 119.30 115.39 2cpk s MET 118 Ca 0.02 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.46 2cpk s MET 118 Cb -0.03 -1.71 -0.02 0.00 2.01 0.00 0.00 34.83 35.08 2cpk s MET 118 CO -0.00 0.11 -0.21 0.08 -0.01 0.00 0.00 175.02 174.99 2cpk s VAL 119 N 0.45 2.43 0.18 -6.03 1.01 0.86 -0.03 120.40 119.27 2cpk s VAL 119 Ca -0.14 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 2cpk s VAL 119 Cb -0.16 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2cpk s VAL 119 CO 0.05 0.57 0.41 0.00 0.00 0.00 0.00 175.10 176.14 2cpk s MET 120 N -0.31 1.27 0.36 2.72 0.23 0.41 0.24 119.30 124.23 2cpk s MET 120 Ca 0.01 -1.00 -0.27 0.00 -1.03 0.00 0.00 55.69 53.41 2cpk s MET 120 Cb -0.13 0.46 -0.12 0.00 -1.53 0.00 0.00 34.83 33.51 2cpk s MET 120 CO 0.02 -0.51 1.25 -0.85 -2.03 0.00 0.00 175.02 172.91 2cpk n GLU 121 N -0.28 1.99 -2.93 3.16 0.00 -0.84 -0.78 120.64 120.96 2cpk n GLU 121 Ca -0.09 0.70 -0.41 0.00 0.00 0.00 0.00 57.16 57.37 2cpk n GLU 121 Cb 0.63 -2.30 -0.04 0.00 0.00 0.00 0.00 31.44 29.73 2cpk n GLU 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2cpk s TYR 122 N -1.13 3.60 -0.32 -1.84 5.04 -1.26 -4.38 117.35 117.06 2cpk s TYR 122 Ca 0.57 1.40 0.03 0.00 -2.44 0.00 0.00 57.07 56.63 2cpk s TYR 122 Cb -0.56 -2.92 0.09 0.00 0.35 0.00 0.00 41.96 38.92 2cpk s TYR 122 CO 0.61 0.05 0.02 0.08 -1.34 0.00 0.00 175.55 174.96 2cpk s VAL 123 N 0.90 2.39 -0.04 3.14 1.01 -1.26 -4.96 120.40 121.57 2cpk s VAL 123 Ca 0.43 -2.05 0.30 0.00 0.00 0.00 0.00 61.98 60.65 2cpk s VAL 123 Cb -0.19 -2.63 0.32 0.00 0.00 0.00 0.00 36.38 33.88 2cpk s VAL 123 CO 0.21 -0.41 1.90 0.00 0.00 0.00 0.00 175.10 176.80 2cpk h ALA 124 N 7.72 1.00 0.00 5.51 0.00 -1.90 -3.32 119.26 128.27 2cpk h ALA 124 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2cpk h ALA 124 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2cpk h ALA 124 CO 0.52 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.55 2cpk h GLY 125 N 1.22 0.00 0.00 0.00 0.00 -1.74 -3.40 103.07 99.14 2cpk h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2cpk h GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2cpk n GLY 126 N -0.70 -1.18 3.81 4.60 0.00 -1.25 -4.66 105.19 105.81 2cpk n GLY 126 Ca -0.00 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 2cpk n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cpk s GLU 127 N -2.29 3.73 0.42 1.61 2.02 -1.26 -1.08 118.70 121.85 2cpk s GLU 127 Ca 0.00 1.21 0.10 0.00 0.02 0.00 0.00 54.97 56.30 2cpk s GLU 127 Cb 0.00 -2.09 0.94 0.00 0.10 0.00 0.00 34.13 33.08 2cpk s GLU 127 CO 0.00 -0.47 2.04 1.98 0.02 0.00 0.00 175.26 178.83 2cpk h MET 128 N 1.15 0.46 -0.57 1.61 1.85 -0.87 -2.48 114.93 116.08 2cpk h MET 128 Ca -0.48 -0.03 0.11 0.00 -0.61 0.00 0.00 59.70 58.69 2cpk h MET 128 Cb 1.21 -0.10 -0.11 0.00 0.43 0.00 0.00 31.60 33.02 2cpk h MET 128 CO 0.59 0.31 -0.20 0.35 -0.40 0.00 0.00 176.91 177.56 2cpk h PHE 129 N 0.48 -0.48 -0.79 1.39 3.57 -1.79 0.98 116.94 120.30 2cpk h PHE 129 Ca 0.18 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2cpk h PHE 129 Cb 0.14 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2cpk h PHE 129 CO -0.00 -0.30 0.36 0.77 -2.23 0.00 0.00 178.31 176.91 2cpk h SER 130 N -0.06 1.05 0.52 0.41 0.02 -1.79 -1.69 113.55 112.00 2cpk h SER 130 Ca 0.27 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.88 2cpk h SER 130 Cb 0.47 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2cpk h SER 130 CO -0.62 0.90 -0.86 0.45 -1.14 0.00 0.00 176.83 175.56 2cpk h HIS 131 N 1.13 0.35 -0.33 3.45 3.86 -1.54 -0.53 115.15 121.54 2cpk h HIS 131 Ca 0.27 -0.19 -0.16 0.00 -1.16 0.00 0.00 60.37 59.14 2cpk h HIS 131 Cb 0.15 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2cpk h HIS 131 CO 0.02 0.99 -0.42 1.25 0.86 0.00 0.00 177.93 180.63 2cpk h LEU 132 N 0.14 0.88 -0.23 2.43 5.85 -0.13 0.18 115.31 124.43 2cpk h LEU 132 Ca -0.05 -0.41 -0.21 0.00 0.84 0.00 0.00 57.88 58.05 2cpk h LEU 132 Cb 1.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2cpk h LEU 132 CO 0.13 1.18 -0.91 0.03 -0.34 0.00 0.00 178.44 178.53 2cpk h ARG 133 N 0.67 0.28 -0.04 1.25 2.47 -1.29 -2.01 114.38 115.71 2cpk h ARG 133 Ca 0.05 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.43 2cpk h ARG 133 Cb 0.99 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2cpk h ARG 133 CO 0.09 1.02 -0.09 -0.09 0.56 0.00 0.00 179.97 181.46 2cpk h ARG 134 N 0.15 0.13 0.00 0.04 2.43 -0.51 -3.14 114.38 113.49 2cpk h ARG 134 Ca -0.06 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 2cpk h ARG 134 Cb 1.54 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2cpk h ARG 134 CO 0.15 0.69 -0.36 0.82 -1.51 0.00 0.00 179.97 179.76 2cpk h ILE 135 N -0.40 0.95 0.00 1.20 2.04 -1.12 -3.47 117.51 116.71 2cpk h ILE 135 Ca -0.00 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2cpk h ILE 135 Cb 0.69 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2cpk h ILE 135 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.13 2cpk n GLY 136 N -0.03 2.83 3.61 5.37 0.00 -0.75 -4.94 105.19 111.28 2cpk n GLY 136 Ca -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 2cpk n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cpk s ARG 137 N 0.00 0.82 0.00 1.61 1.70 -1.24 -4.10 118.95 117.75 2cpk s ARG 137 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 2cpk s ARG 137 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 2cpk s ARG 137 CO 0.00 -0.37 0.00 1.19 -1.08 0.00 0.00 175.30 175.04 2cpk n PHE 138 N -0.33 0.00 -0.06 5.89 3.72 -0.39 -5.02 117.46 121.27 2cpk n PHE 138 Ca -0.07 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.11 2cpk n PHE 138 Cb 0.61 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.03 2cpk n PHE 138 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2cpk n GLU 140 N 0.00 0.64 -0.29 -1.08 1.02 -1.26 -4.40 120.64 115.26 2cpk n GLU 140 Ca 0.00 0.45 0.06 0.00 -0.02 0.00 0.00 57.16 57.66 2cpk n GLU 140 Cb 0.00 -1.73 0.17 0.00 -0.02 0.00 0.00 31.44 29.86 2cpk n GLU 140 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2cpk h PRO 141 N -0.60 0.05 -0.10 3.49 0.11 -2.01 0.12 132.00 133.06 2cpk h PRO 141 Ca -0.39 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 2cpk h PRO 141 Cb 1.59 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.69 2cpk h PRO 141 CO -0.11 0.03 -0.49 1.25 -0.21 0.00 0.00 178.00 178.47 2cpk h HIS 142 N 0.05 0.68 0.33 0.65 6.17 -1.99 -0.77 115.15 120.27 2cpk h HIS 142 Ca 0.45 -0.30 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 2cpk h HIS 142 Cb 0.80 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 2cpk h HIS 142 CO -0.52 1.08 -0.25 0.00 0.71 0.00 0.00 177.93 178.94 2cpk h ALA 143 N 0.47 -0.57 -1.00 5.26 0.00 -1.62 -1.86 119.26 119.94 2cpk h ALA 143 Ca -0.03 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.00 2cpk h ALA 143 Cb 1.14 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 2cpk h ALA 143 CO 0.10 -0.84 0.63 -0.09 0.00 0.00 0.00 179.25 179.05 2cpk h ARG 144 N -0.58 0.54 -0.06 0.00 2.43 -0.64 -1.11 114.38 114.96 2cpk h ARG 144 Ca -0.03 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2cpk h ARG 144 Cb 0.50 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2cpk h ARG 144 CO -0.00 0.36 -0.10 0.35 -1.51 0.00 0.00 179.97 179.07 2cpk h PHE 145 N 0.55 -0.24 -0.37 2.20 3.57 -0.30 -1.58 116.94 120.77 2cpk h PHE 145 Ca 0.57 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 62.01 2cpk h PHE 145 Cb 1.19 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2cpk h PHE 145 CO -0.00 -0.15 -0.06 1.88 -2.23 0.00 0.00 178.31 177.75 2cpk h TYR 146 N -0.14 0.77 -0.67 0.41 0.05 -0.90 -3.16 116.97 113.33 2cpk h TYR 146 Ca 0.06 -0.16 0.03 0.00 0.05 0.00 0.00 58.73 58.72 2cpk h TYR 146 Cb 0.22 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 2cpk h TYR 146 CO -0.19 0.82 0.44 0.00 -1.05 0.00 0.00 178.16 178.18 2cpk h ALA 147 N 0.84 1.63 -0.41 3.88 0.00 -0.90 -1.21 119.26 123.07 2cpk h ALA 147 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2cpk h ALA 147 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2cpk h ALA 147 CO 0.03 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.79 2cpk h ALA 148 N 1.61 0.53 -0.71 0.00 0.00 -1.26 0.14 119.26 119.57 2cpk h ALA 148 Ca 0.27 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2cpk h ALA 148 Cb 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2cpk h ALA 148 CO -0.07 0.09 0.47 1.96 0.00 0.00 0.00 179.25 181.70 2cpk h GLN 149 N 0.53 0.76 0.03 0.00 4.20 -1.27 -1.16 115.11 118.20 2cpk h GLN 149 Ca 0.14 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2cpk h GLN 149 Cb 0.11 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.73 2cpk h GLN 149 CO -0.02 0.50 -0.26 0.82 -0.67 0.00 0.00 178.83 179.20 2cpk h ILE 150 N 0.78 1.66 -1.03 2.54 1.08 -0.94 -1.41 117.51 120.18 2cpk h ILE 150 Ca 0.30 -2.26 0.26 0.00 -0.39 0.00 0.00 64.86 62.77 2cpk h ILE 150 Cb 0.19 3.16 -0.11 0.00 -3.07 0.00 0.00 36.82 36.99 2cpk h ILE 150 CO -0.09 0.61 0.64 0.58 -0.69 0.00 0.00 178.15 179.20 2cpk h VAL 151 N -0.71 0.52 0.09 1.67 2.07 -0.27 0.10 116.25 119.73 2cpk h VAL 151 Ca -0.04 -0.16 -0.28 0.00 0.82 0.00 0.00 66.70 67.03 2cpk h VAL 151 Cb 1.15 0.02 0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2cpk h VAL 151 CO 0.05 0.08 -1.16 -0.07 0.02 0.00 0.00 177.57 176.49 2cpk h LEU 152 N 0.47 0.87 -1.12 2.57 3.38 -1.25 -1.39 115.31 118.82 2cpk h LEU 152 Ca 0.62 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2cpk h LEU 152 Cb 1.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2cpk h LEU 152 CO -0.37 1.58 0.32 0.74 0.09 0.00 0.00 178.44 180.80 2cpk h THR 153 N 0.27 1.21 -0.13 0.22 2.02 -0.02 -0.30 112.91 116.17 2cpk h THR 153 Ca -0.17 -0.59 -0.19 0.00 0.77 0.00 0.00 66.41 66.22 2cpk h THR 153 Cb 1.84 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2cpk h THR 153 CO 0.22 0.25 -0.67 -0.26 0.37 0.00 0.00 175.52 175.43 2cpk h PHE 154 N 0.93 0.92 -0.71 3.16 -1.00 -0.86 0.15 116.94 119.54 2cpk h PHE 154 Ca 0.23 -0.41 0.03 0.00 2.81 0.00 0.00 57.97 60.63 2cpk h PHE 154 Cb 0.09 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 2cpk h PHE 154 CO 0.01 1.22 0.47 1.49 -1.61 0.00 0.00 178.31 179.89 2cpk h GLU 155 N 0.36 0.83 0.25 1.51 4.81 -0.36 0.22 114.58 122.21 2cpk h GLU 155 Ca -0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2cpk h GLU 155 Cb 1.31 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2cpk h GLU 155 CO 0.14 0.55 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.93 2cpk h TYR 156 N 0.86 -0.31 -0.35 0.92 3.20 -0.83 -2.65 116.97 117.80 2cpk h TYR 156 Ca 0.28 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.22 2cpk h TYR 156 Cb 0.06 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.34 2cpk h TYR 156 CO -0.00 0.03 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.13 2cpk h LEU 157 N -0.94 -1.15 -1.12 2.82 3.38 -0.31 -1.58 115.31 116.41 2cpk h LEU 157 Ca -0.03 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2cpk h LEU 157 Cb 0.49 0.52 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2cpk h LEU 157 CO 0.06 -0.34 0.60 0.45 0.09 0.00 0.00 178.44 179.30 2cpk h HIS 158 N -0.30 1.03 0.00 1.13 3.86 -0.64 0.12 115.15 120.35 2cpk h HIS 158 Ca 0.15 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2cpk h HIS 158 Cb 0.55 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 2cpk h HIS 158 CO -0.53 0.43 -0.16 0.66 0.86 0.00 0.00 177.93 179.19 2cpk h SER 159 N 0.92 0.00 -0.27 2.45 4.64 -0.91 -0.48 113.55 119.89 2cpk h SER 159 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2cpk h SER 159 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2cpk h SER 159 CO -0.22 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.08 2cpk n LEU 160 N -3.96 2.28 -1.40 5.97 4.32 0.42 -4.86 117.00 119.77 2cpk n LEU 160 Ca -0.02 -1.15 -0.17 0.00 -0.02 0.00 0.00 56.01 54.64 2cpk n LEU 160 Cb 0.25 -0.39 -0.07 0.00 -1.62 0.00 0.00 43.42 41.58 2cpk n LEU 160 CO 0.33 0.40 -0.17 0.47 -1.22 0.00 0.00 177.39 177.20 2cpk n ASP 161 N 0.32 -5.10 -4.87 -1.43 8.00 -0.19 -4.93 116.55 108.34 2cpk n ASP 161 Ca 0.11 0.39 -0.31 0.00 0.71 0.00 0.00 54.79 55.68 2cpk n ASP 161 Cb 0.45 -4.14 -0.05 0.00 -0.02 0.00 0.00 41.12 37.37 2cpk n ASP 161 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cpk s LEU 162 N -4.06 4.03 -0.07 0.64 1.02 -1.15 -0.48 118.68 118.61 2cpk s LEU 162 Ca 0.00 1.03 -0.01 0.00 0.02 0.00 0.00 54.13 55.18 2cpk s LEU 162 Cb 0.00 -3.85 0.03 0.00 0.02 0.00 0.00 46.19 42.39 2cpk s LEU 162 CO 0.00 -0.22 -0.01 -0.51 0.02 0.00 0.00 176.35 175.63 2cpk s ILE 163 N -2.05 0.45 -0.36 -0.59 2.07 -0.20 -3.71 121.20 116.80 2cpk s ILE 163 Ca 0.50 0.05 -0.21 0.00 -1.41 0.00 0.00 60.65 59.57 2cpk s ILE 163 Cb -0.11 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 41.91 2cpk s ILE 163 CO 0.24 0.26 0.69 -0.47 -1.91 0.00 0.00 174.94 173.75 2cpk s TYR 164 N 1.76 3.13 -0.37 3.50 5.04 -1.26 -1.36 117.35 127.79 2cpk s TYR 164 Ca 0.02 0.41 0.07 0.00 -2.44 0.00 0.00 57.07 55.12 2cpk s TYR 164 Cb -0.13 -3.24 0.61 0.00 0.35 0.00 0.00 41.96 39.56 2cpk s TYR 164 CO -0.05 -0.67 1.73 0.54 -1.34 0.00 0.00 175.55 175.76 2cpk n ARG 165 N 6.18 2.23 -3.01 4.97 1.74 -1.20 -4.71 116.66 122.85 2cpk n ARG 165 Ca 0.00 -3.08 -0.15 0.00 -0.77 0.00 0.00 57.85 53.85 2cpk n ARG 165 Cb 0.48 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2cpk n ARG 165 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2cpk n ASP 166 N -1.05 0.37 -4.71 0.55 2.03 -1.26 -4.41 116.55 108.08 2cpk n ASP 166 Ca 0.47 -3.04 -0.41 0.00 0.52 0.00 0.00 54.79 52.34 2cpk n ASP 166 Cb 1.40 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 41.59 2cpk n ASP 166 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2cpk s LEU 167 N -2.56 4.32 -0.18 -2.67 2.96 -1.26 -4.83 118.68 114.45 2cpk s LEU 167 Ca 0.34 1.41 -0.31 0.00 -0.22 0.00 0.00 54.13 55.36 2cpk s LEU 167 Cb 0.36 -3.35 0.14 0.00 0.50 0.00 0.00 46.19 43.85 2cpk s LEU 167 CO -0.05 -0.24 1.13 -1.59 -1.32 0.00 0.00 176.35 174.28 2cpk s LYS 168 N 1.15 0.41 0.13 1.98 -2.85 -1.26 -4.88 119.74 114.42 2cpk s LYS 168 Ca 0.45 -0.00 -0.10 0.00 -1.00 0.00 0.00 55.97 55.32 2cpk s LYS 168 Cb -0.19 0.19 0.13 0.00 -2.06 0.00 0.00 37.83 35.90 2cpk s LYS 168 CO 0.22 -0.15 0.87 -2.30 0.10 0.00 0.00 175.35 174.09 2cpk n PRO 169 N 0.37 -0.13 0.32 1.78 -0.02 -1.26 -0.96 135.00 135.10 2cpk n PRO 169 Ca -0.05 0.87 0.19 0.00 -2.02 0.00 0.00 63.50 62.49 2cpk n PRO 169 Cb 0.59 -1.29 1.03 0.00 -0.02 0.00 0.00 33.50 33.81 2cpk n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2cpk h GLU 170 N 0.00 0.00 -0.10 -0.52 3.07 -1.95 -2.15 114.58 112.94 2cpk h GLU 170 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2cpk h GLU 170 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2cpk h GLU 170 CO -0.56 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.14 2cpk n ASN 171 N -3.09 2.49 -4.27 1.42 4.13 -0.13 -4.84 115.26 110.97 2cpk n ASN 171 Ca -0.02 -1.72 -0.39 0.00 1.68 0.00 0.00 54.58 54.13 2cpk n ASN 171 Cb 0.21 -0.05 -0.11 0.00 -1.54 0.00 0.00 39.78 38.29 2cpk n ASN 171 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2cpk s LEU 172 N -1.28 4.90 0.20 3.41 1.43 -0.82 -2.20 118.68 124.31 2cpk s LEU 172 Ca 0.21 -1.40 -0.27 0.00 -1.03 0.00 0.00 54.13 51.64 2cpk s LEU 172 Cb 0.14 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 2cpk s LEU 172 CO 0.20 -0.47 0.84 -0.76 0.23 0.00 0.00 176.35 176.39 2cpk s LEU 173 N 1.41 4.61 -0.16 1.79 1.43 -0.43 -0.60 118.68 126.71 2cpk s LEU 173 Ca 0.02 1.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 2cpk s LEU 173 Cb -0.22 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2cpk s LEU 173 CO 0.02 0.18 0.40 -0.63 0.23 0.00 0.00 176.35 176.55 2cpk s ILE 174 N -1.18 5.22 0.62 -0.59 -1.09 -0.24 -1.29 121.20 122.65 2cpk s ILE 174 Ca 0.38 0.74 0.06 0.00 -2.23 0.00 0.00 60.65 59.60 2cpk s ILE 174 Cb -0.24 -3.73 0.10 0.00 -1.58 0.00 0.00 42.46 37.01 2cpk s ILE 174 CO 0.28 0.31 0.85 1.51 -1.23 0.00 0.00 174.94 176.66 2cpk s ASP 175 N 0.76 4.86 0.23 3.58 1.47 0.82 -2.07 116.67 126.32 2cpk s ASP 175 Ca 0.21 -0.64 -0.07 0.00 1.18 0.00 0.00 52.55 53.23 2cpk s ASP 175 Cb -0.14 0.12 0.38 0.00 -0.34 0.00 0.00 42.92 42.93 2cpk s ASP 175 CO 0.07 -1.49 1.71 -0.61 0.68 0.00 0.00 175.17 175.53 2cpk h GLN 176 N -0.05 0.32 -1.00 2.11 4.15 -1.93 0.65 115.11 119.35 2cpk h GLN 176 Ca -0.33 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2cpk h GLN 176 Cb 1.28 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2cpk h GLN 176 CO 0.41 0.21 0.00 1.04 -1.93 0.00 0.00 178.83 178.56 2cpk n GLN 177 N -5.09 0.99 -0.94 1.69 6.02 -1.26 -4.59 117.38 114.20 2cpk n GLN 177 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2cpk n GLN 177 Cb 0.37 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2cpk n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cpk n GLY 178 N 0.28 0.32 3.99 1.08 0.00 0.23 -4.44 105.19 106.64 2cpk n GLY 178 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2cpk n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cpk s TYR 179 N -1.77 3.03 0.44 1.61 1.51 -1.25 -4.76 117.35 116.17 2cpk s TYR 179 Ca 0.00 -0.14 -0.08 0.00 -1.01 0.00 0.00 57.07 55.84 2cpk s TYR 179 Cb 0.00 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 2cpk s TYR 179 CO 0.00 -0.29 0.78 0.42 -1.11 0.00 0.00 175.55 175.34 2cpk s ILE 180 N -2.37 4.84 -0.23 2.71 -1.09 -1.26 -0.13 121.20 123.67 2cpk s ILE 180 Ca 0.50 0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 59.32 2cpk s ILE 180 Cb -0.10 -3.79 0.10 0.00 -1.58 0.00 0.00 42.46 37.09 2cpk s ILE 180 CO 0.34 -0.67 0.20 -1.10 -1.23 0.00 0.00 174.94 172.48 2cpk s GLN 181 N -4.24 0.19 0.00 2.79 -1.52 -0.41 -4.47 119.66 112.00 2cpk s GLN 181 Ca 0.49 -0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.54 2cpk s GLN 181 Cb -0.10 -1.20 -0.05 0.00 -0.22 0.00 0.00 33.01 31.43 2cpk s GLN 181 CO 0.38 -0.80 1.37 0.08 -0.25 0.00 0.00 175.29 176.06 2cpk s VAL 182 N 2.26 3.76 0.53 1.09 1.01 -0.36 -1.32 120.40 127.37 2cpk s VAL 182 Ca 0.07 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2cpk s VAL 182 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2cpk s VAL 182 CO -0.21 0.01 0.03 0.28 0.00 0.00 0.00 175.10 175.21 2cpk s THR 183 N 2.25 1.04 -0.15 3.92 -1.32 -0.93 -1.69 115.64 118.76 2cpk s THR 183 Ca 0.63 -1.97 -0.07 0.00 -1.21 0.00 0.00 61.69 59.06 2cpk s THR 183 Cb -0.31 -2.01 0.03 0.00 -1.51 0.00 0.00 72.50 68.70 2cpk s THR 183 CO 0.26 0.00 0.15 -0.67 -2.21 0.00 0.00 174.62 172.15 2cpk n ASP 184 N -1.35 -3.35 -2.06 8.08 -0.08 -1.26 -4.91 116.55 111.62 2cpk n ASP 184 Ca -0.21 1.23 -0.26 0.00 -1.51 0.00 0.00 54.79 54.04 2cpk n ASP 184 Cb 0.67 -4.25 0.07 0.00 2.34 0.00 0.00 41.12 39.95 2cpk n ASP 184 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2cpk n PHE 185 N 1.75 2.78 0.69 -0.67 3.01 -1.26 -4.74 117.46 119.02 2cpk n PHE 185 Ca -0.25 -2.49 0.11 0.00 1.01 0.00 0.00 57.45 55.83 2cpk n PHE 185 Cb 0.42 -0.85 0.45 0.00 -0.01 0.00 0.00 39.48 39.49 2cpk n PHE 185 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cpk n GLY 186 N -0.86 -1.27 0.23 1.37 0.00 -1.26 -2.05 105.19 101.34 2cpk n GLY 186 Ca 0.51 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.53 2cpk n GLY 186 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cpk n PHE 187 N -1.63 0.00 -2.37 1.61 3.72 -1.26 -4.67 117.46 112.85 2cpk n PHE 187 Ca 0.05 -0.51 -0.35 0.00 -0.05 0.00 0.00 57.45 56.59 2cpk n PHE 187 Cb 0.26 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 2cpk n PHE 187 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cpk s ALA 188 N -1.43 2.82 -0.05 4.37 0.00 -0.87 -3.27 121.76 123.34 2cpk s ALA 188 Ca 0.15 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 2cpk s ALA 188 Cb 0.13 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2cpk s ALA 188 CO 0.01 -0.56 0.14 0.21 0.00 0.00 0.00 175.76 175.56 2cpk s LYS 189 N -3.13 0.22 -0.32 0.00 2.20 -0.46 -4.60 119.74 113.65 2cpk s LYS 189 Ca 0.69 0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 56.29 2cpk s LYS 189 Cb -0.22 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 2cpk s LYS 189 CO 0.26 -0.03 0.20 0.50 -0.36 0.00 0.00 175.35 175.91 2cpk s ARG 190 N -0.16 3.51 -0.06 4.03 3.52 -1.26 -1.04 118.95 127.50 2cpk s ARG 190 Ca -0.02 -0.62 -0.02 0.00 -0.13 0.00 0.00 55.73 54.93 2cpk s ARG 190 Cb -0.02 -3.69 0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2cpk s ARG 190 CO 0.00 -0.39 0.11 0.14 -0.81 0.00 0.00 175.30 174.35 2cpk s VAL 191 N 1.69 -0.10 -0.26 7.11 -7.23 0.37 -4.98 120.40 117.00 2cpk s VAL 191 Ca 0.06 0.25 -0.16 0.00 -1.81 0.00 0.00 61.98 60.32 2cpk s VAL 191 Cb -0.17 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 2cpk s VAL 191 CO 0.09 0.10 0.42 -0.54 -0.31 0.00 0.00 175.10 174.87 2cpk s LYS 192 N 1.49 4.05 0.00 4.82 1.02 -1.26 -4.69 119.74 125.18 2cpk s LYS 192 Ca -0.05 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.09 2cpk s LYS 192 Cb -0.12 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2cpk s LYS 192 CO -0.05 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 2cpk n GLY 193 N 4.49 -1.48 3.88 -3.33 0.00 -1.26 -5.04 105.19 102.45 2cpk n GLY 193 Ca -0.07 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 2cpk n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cpk s ARG 194 N 0.00 3.73 0.09 1.61 0.52 -1.26 -4.85 118.95 118.80 2cpk s ARG 194 Ca 0.00 0.38 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2cpk s ARG 194 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 2cpk s ARG 194 CO 0.00 -0.02 -0.06 -0.08 0.02 0.00 0.00 175.30 175.15 2cpk s THR 195 N -2.37 0.66 -0.26 0.02 -1.32 -0.71 -4.92 115.64 106.73 2cpk s THR 195 Ca 0.50 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2cpk s THR 195 Cb -0.10 -1.67 0.08 0.00 -1.51 0.00 0.00 72.50 69.29 2cpk s THR 195 CO 0.33 -0.88 0.01 0.26 -2.21 0.00 0.00 174.62 172.13 2cpk s TRP 196 N -3.65 2.23 -0.22 9.09 0.51 -1.26 -0.24 118.94 125.40 2cpk s TRP 196 Ca 0.11 -1.81 -0.02 0.00 -2.12 0.00 0.00 56.10 52.27 2cpk s TRP 196 Cb 0.05 -1.73 0.07 0.00 -0.81 0.00 0.00 33.47 31.05 2cpk s TRP 196 CO -0.05 -0.80 0.04 -0.51 -0.51 0.00 0.00 176.95 175.11 2cpk s LEU 198 N 1.44 1.49 -0.01 2.99 1.43 -1.26 -4.93 118.68 119.84 2cpk s LEU 198 Ca 0.01 -1.01 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 2cpk s LEU 198 Cb -0.18 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.37 2cpk s LEU 198 CO -0.12 -0.32 0.41 0.00 0.23 0.00 0.00 176.35 176.55 2cpk n GLY 200 N 1.06 0.26 3.28 0.00 0.00 -1.26 -4.96 105.19 103.57 2cpk n GLY 200 Ca -0.20 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 2cpk n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cpk s THR 201 N -3.22 2.48 0.33 2.61 2.01 -1.26 -5.04 115.64 113.55 2cpk s THR 201 Ca 0.00 -0.87 0.11 0.00 0.31 0.00 0.00 61.69 61.25 2cpk s THR 201 Cb 0.00 -1.99 0.33 0.00 0.01 0.00 0.00 72.50 70.85 2cpk s THR 201 CO 0.00 0.54 1.65 -0.65 -0.69 0.00 0.00 174.62 175.47 2cpk h PRO 202 N 6.77 0.24 0.00 4.92 0.11 -1.97 0.24 132.00 142.30 2cpk h PRO 202 Ca -0.23 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 2cpk h PRO 202 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2cpk h PRO 202 CO 0.51 0.16 -0.17 0.93 -0.21 0.00 0.00 178.00 179.22 2cpk h GLU 203 N 0.25 0.00 -0.01 1.05 3.07 -1.96 -2.41 114.58 114.56 2cpk h GLU 203 Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 2cpk h GLU 203 Cb 1.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 2cpk h GLU 203 CO -0.65 0.17 -0.37 0.66 -1.40 0.00 0.00 179.01 177.43 2cpk n TYR 204 N -3.81 0.00 -2.18 4.33 4.02 0.07 -4.86 117.16 114.74 2cpk n TYR 204 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 2cpk n TYR 204 Cb 0.28 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 2cpk n TYR 204 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2cpk s LEU 205 N -2.48 4.29 0.68 7.72 1.43 -0.91 -4.40 118.68 125.02 2cpk s LEU 205 Ca 0.22 2.09 -0.16 0.00 -1.03 0.00 0.00 54.13 55.25 2cpk s LEU 205 Cb 0.19 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.87 2cpk s LEU 205 CO 0.54 -0.80 1.19 0.00 0.23 0.00 0.00 176.35 177.51 2cpk s ALA 206 N 3.16 2.29 0.32 4.21 0.00 -1.26 -4.89 121.76 125.60 2cpk s ALA 206 Ca 0.66 0.86 0.11 0.00 0.00 0.00 0.00 51.96 53.58 2cpk s ALA 206 Cb -0.31 -3.44 0.53 0.00 0.00 0.00 0.00 23.12 19.91 2cpk s ALA 206 CO 0.25 -1.58 1.72 -1.00 0.00 0.00 0.00 175.76 175.15 2cpk h PRO 207 N 0.08 0.04 -0.93 0.00 0.13 -1.93 -1.99 132.00 127.41 2cpk h PRO 207 Ca -0.48 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 64.79 2cpk h PRO 207 Cb 1.29 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 2cpk h PRO 207 CO 0.52 0.51 0.60 1.05 -0.23 0.00 0.00 178.00 180.44 2cpk h GLU 208 N 0.04 0.63 -0.26 0.86 4.11 -1.91 0.28 114.58 118.34 2cpk h GLU 208 Ca -0.00 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 2cpk h GLU 208 Cb 0.85 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2cpk h GLU 208 CO 0.06 0.42 -0.38 0.82 0.07 0.00 0.00 179.01 180.01 2cpk h ILE 209 N 0.65 1.31 0.00 -1.06 2.04 -1.72 -2.10 117.51 116.63 2cpk h ILE 209 Ca 0.49 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2cpk h ILE 209 Cb 0.87 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2cpk h ILE 209 CO -0.24 0.50 0.00 0.16 0.00 0.00 0.00 178.15 178.57 2cpk h ILE 210 N 0.44 0.00 -0.29 -0.67 -0.00 -1.21 -2.15 117.51 113.64 2cpk h ILE 210 Ca 0.03 -0.90 0.00 0.00 -0.00 0.00 0.00 64.86 63.99 2cpk h ILE 210 Cb 0.97 1.90 0.00 0.00 -0.00 0.00 0.00 36.82 39.69 2cpk h ILE 210 CO 0.09 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.42 2cpk n LEU 211 N -3.10 1.65 -3.97 0.16 4.77 0.87 -4.94 117.00 112.44 2cpk n LEU 211 Ca 0.03 -0.80 -0.26 0.00 -0.03 0.00 0.00 56.01 54.95 2cpk n LEU 211 Cb 0.48 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2cpk n LEU 211 CO 0.33 0.40 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.37 2cpk n SER 212 N 0.38 -0.55 0.00 -1.43 7.64 -0.81 -4.90 113.62 113.96 2cpk n SER 212 Ca 0.11 -1.00 0.11 0.00 1.01 0.00 0.00 58.87 59.10 2cpk n SER 212 Cb 0.27 -3.04 -0.09 0.00 -1.01 0.00 0.00 64.21 60.33 2cpk n SER 212 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cpk n LYS 213 N -4.41 0.24 -0.01 1.43 5.02 -0.86 -5.05 118.16 114.53 2cpk n LYS 213 Ca -0.28 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 2cpk n LYS 213 Cb 0.67 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 2cpk n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cpk n GLY 214 N 1.41 0.11 1.47 0.72 0.00 -1.26 -5.07 105.19 102.56 2cpk n GLY 214 Ca 0.01 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 2cpk n GLY 214 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2cpk n TYR 215 N 1.90 -0.62 -3.22 1.61 0.18 0.67 -4.93 117.16 112.75 2cpk n TYR 215 Ca 0.00 -1.15 -0.00 0.00 1.88 0.00 0.00 57.90 58.63 2cpk n TYR 215 Cb 0.00 0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 2cpk n TYR 215 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2cpk n ASN 216 N -2.17 -0.00 -0.16 9.48 6.94 -1.26 -1.73 115.26 126.36 2cpk n ASN 216 Ca 0.02 -1.00 0.25 0.00 -0.02 0.00 0.00 54.58 53.82 2cpk n ASN 216 Cb 0.27 0.01 0.38 0.00 -2.36 0.00 0.00 39.78 38.08 2cpk n ASN 216 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2cpk n LYS 217 N -0.00 0.02 0.18 -3.83 -0.00 -1.26 -1.26 118.16 112.00 2cpk n LYS 217 Ca -0.00 1.01 0.14 0.00 -0.00 0.00 0.00 58.31 59.46 2cpk n LYS 217 Cb 0.00 -2.53 0.48 0.00 -0.00 0.00 0.00 35.03 32.98 2cpk n LYS 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cpk h ALA 218 N 0.46 1.00 -0.37 0.58 0.00 -1.96 -1.40 119.26 117.57 2cpk h ALA 218 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 2cpk h ALA 218 Cb 2.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.60 2cpk h ALA 218 CO -0.00 0.00 -0.09 -0.39 0.00 0.00 0.00 179.25 178.77 2cpk h VAL 219 N 0.00 1.24 0.00 0.00 -1.51 -1.61 -1.18 116.25 113.19 2cpk h VAL 219 Ca 0.00 -1.04 -0.03 0.00 -1.23 0.00 0.00 66.70 64.39 2cpk h VAL 219 Cb 0.59 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2cpk h VAL 219 CO 0.00 0.35 -0.15 0.44 -1.23 0.00 0.00 177.57 176.98 2cpk h ASP 220 N 0.59 0.00 0.26 4.19 3.32 -1.46 -0.40 116.42 122.92 2cpk h ASP 220 Ca 0.11 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.86 2cpk h ASP 220 Cb 0.50 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.08 2cpk h ASP 220 CO 0.03 0.15 -1.30 -0.50 -1.72 0.00 0.00 179.24 175.90 2cpk h TRP 221 N 0.00 0.91 -0.07 4.55 -0.00 -1.34 -1.74 115.95 118.26 2cpk h TRP 221 Ca -0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 58.89 58.30 2cpk h TRP 221 Cb 0.28 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.37 2cpk h TRP 221 CO 0.00 1.46 -0.03 2.35 -0.00 0.00 0.00 178.44 182.22 2cpk h TRP 222 N 0.21 -0.06 -0.38 0.49 2.91 -0.40 -1.38 115.95 117.34 2cpk h TRP 222 Ca -0.20 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.82 2cpk h TRP 222 Cb 1.99 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 30.65 2cpk h TRP 222 CO 0.11 -0.04 0.18 0.00 -1.03 0.00 0.00 178.44 177.66 2cpk h ALA 223 N 1.05 1.61 -0.17 2.65 0.00 -1.07 0.71 119.26 124.04 2cpk h ALA 223 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2cpk h ALA 223 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cpk h ALA 223 CO -0.08 0.32 -0.22 1.25 0.00 0.00 0.00 179.25 180.52 2cpk h LEU 224 N 0.53 0.30 -1.16 0.00 5.85 -0.88 0.81 115.31 120.75 2cpk h LEU 224 Ca 0.13 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2cpk h LEU 224 Cb 0.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2cpk h LEU 224 CO -0.02 0.54 -0.41 1.23 -0.34 0.00 0.00 178.44 179.44 2cpk h GLY 225 N 0.95 0.00 1.03 3.75 0.00 0.21 -2.07 103.07 106.94 2cpk h GLY 225 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 2cpk h GLY 225 CO 0.04 0.00 -0.43 -2.08 0.00 0.00 0.00 176.54 174.06 2cpk h VAL 226 N 0.00 1.30 0.48 4.60 2.07 0.20 -2.91 116.25 121.98 2cpk h VAL 226 Ca -0.00 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 2cpk h VAL 226 Cb 0.75 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2cpk h VAL 226 CO 0.05 0.52 -0.31 0.25 0.02 0.00 0.00 177.57 178.11 2cpk h LEU 227 N 0.50 -0.78 -1.78 2.57 5.85 -0.63 -1.83 115.31 119.21 2cpk h LEU 227 Ca 0.02 0.05 0.25 0.00 0.84 0.00 0.00 57.88 59.03 2cpk h LEU 227 Cb 1.03 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 2cpk h LEU 227 CO 0.10 -0.46 0.65 0.40 -0.34 0.00 0.00 178.44 178.78 2cpk h ILE 228 N -0.74 0.58 0.14 4.05 2.04 -1.45 -0.03 117.51 122.10 2cpk h ILE 228 Ca -0.06 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2cpk h ILE 228 Cb 0.59 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2cpk h ILE 228 CO 0.06 0.03 -0.07 0.22 0.00 0.00 0.00 178.15 178.39 2cpk h TYR 229 N 0.17 -0.18 0.06 1.37 5.03 -1.15 -1.63 116.97 120.63 2cpk h TYR 229 Ca 0.47 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.79 2cpk h TYR 229 Cb 1.56 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.88 2cpk h TYR 229 CO -0.00 0.20 -0.17 1.49 -1.32 0.00 0.00 178.16 178.36 2cpk h GLU 230 N -0.60 -0.29 0.01 1.82 4.81 -0.46 -0.53 114.58 119.35 2cpk h GLU 230 Ca -0.02 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2cpk h GLU 230 Cb 0.46 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2cpk h GLU 230 CO 0.03 -0.19 -0.26 0.52 -0.73 0.00 0.00 179.01 178.37 2cpk h MET 231 N -0.30 -0.40 0.00 1.92 2.86 -1.07 -0.18 114.93 117.76 2cpk h MET 231 Ca 0.04 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2cpk h MET 231 Cb 0.34 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2cpk h MET 231 CO -0.12 -0.27 0.00 0.00 1.06 0.00 0.00 176.91 177.58 2cpk n ALA 232 N -2.67 2.53 0.00 6.32 0.00 -0.62 -1.26 120.51 124.81 2cpk n ALA 232 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2cpk n ALA 232 Cb 0.29 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2cpk n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cpk n ALA 233 N -1.09 1.51 -0.24 0.00 0.00 -0.24 -4.67 120.51 115.78 2cpk n ALA 233 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2cpk n ALA 233 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2cpk n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cpk n GLY 234 N 1.89 1.07 3.39 0.00 0.00 -0.11 -4.94 105.19 106.50 2cpk n GLY 234 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2cpk n GLY 234 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2cpk s TYR 235 N -2.71 -0.44 0.57 1.61 -0.85 -1.23 -4.95 117.35 109.34 2cpk s TYR 235 Ca 0.00 0.77 -0.19 0.00 -0.52 0.00 0.00 57.07 57.13 2cpk s TYR 235 Cb 0.00 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 2cpk s TYR 235 CO 0.00 -0.49 1.13 -2.14 -1.52 0.00 0.00 175.55 172.53 2cpk s PRO 236 N -1.17 3.22 0.62 -3.49 0.02 -1.26 -3.96 135.00 128.98 2cpk s PRO 236 Ca -0.12 1.60 0.39 0.00 0.02 0.00 0.00 61.00 62.90 2cpk s PRO 236 Cb -0.03 -1.99 2.00 0.00 0.02 0.00 0.00 34.50 34.51 2cpk s PRO 236 CO 0.07 -0.95 2.22 -1.00 -0.33 0.00 0.00 177.00 177.01 2cpk h PRO 237 N 0.97 0.00 -3.71 5.54 0.13 -1.92 -3.38 132.00 129.64 2cpk h PRO 237 Ca -0.50 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.25 2cpk h PRO 237 Cb 1.26 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.04 2cpk h PRO 237 CO 0.56 0.01 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.53 2cpk s PHE 238 N -4.02 0.44 -0.04 1.56 0.08 -1.26 -4.81 117.98 109.93 2cpk s PHE 238 Ca -0.03 -0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.77 2cpk s PHE 238 Cb 0.12 -0.56 0.04 0.00 -0.57 0.00 0.00 43.02 42.05 2cpk s PHE 238 CO 0.47 -0.20 0.46 -0.59 -0.10 0.00 0.00 175.22 175.26 2cpk s PHE 239 N 1.40 -0.39 0.10 0.36 -0.12 -1.26 -4.84 117.98 113.22 2cpk s PHE 239 Ca -0.04 0.68 -0.09 0.00 -0.05 0.00 0.00 56.93 57.43 2cpk s PHE 239 Cb -0.13 0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2cpk s PHE 239 CO -0.03 -0.45 0.42 0.00 -0.05 0.00 0.00 175.22 175.11 2cpk n ALA 240 N 1.30 -1.06 0.05 1.99 0.00 -1.26 -4.86 120.51 116.67 2cpk n ALA 240 Ca -0.20 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 2cpk n ALA 240 Cb 0.56 0.28 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 2cpk n ALA 240 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cpk h ASP 241 N 0.84 0.00 -4.25 0.00 3.32 -2.02 -3.46 116.42 110.85 2cpk h ASP 241 Ca -0.12 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.30 2cpk h ASP 241 Cb 0.51 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.76 2cpk h ASP 241 CO 0.16 0.76 -0.86 -1.10 -1.72 0.00 0.00 179.24 176.47 2cpk s GLN 242 N -2.80 1.98 0.29 3.56 -0.21 -1.26 -5.00 119.66 116.22 2cpk s GLN 242 Ca -0.01 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.57 2cpk s GLN 242 Cb 0.09 -1.81 0.63 0.00 1.00 0.00 0.00 33.01 32.92 2cpk s GLN 242 CO 0.80 0.41 1.59 -1.35 -2.12 0.00 0.00 175.29 174.62 2cpk h PRO 243 N 5.84 0.03 -0.67 2.91 0.11 -1.99 0.64 132.00 138.86 2cpk h PRO 243 Ca -0.37 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.82 2cpk h PRO 243 Cb 1.15 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 2cpk h PRO 243 CO 0.47 0.02 0.34 0.82 -0.21 0.00 0.00 178.00 179.45 2cpk h ILE 244 N 0.04 0.88 0.00 4.15 5.03 -1.99 0.36 117.51 125.97 2cpk h ILE 244 Ca 0.53 -0.20 -0.03 0.00 -0.12 0.00 0.00 64.86 65.04 2cpk h ILE 244 Cb 1.03 0.23 -0.00 0.00 -3.03 0.00 0.00 36.82 35.04 2cpk h ILE 244 CO -0.87 0.11 -0.15 1.56 -0.68 0.00 0.00 178.15 178.12 2cpk h GLN 245 N 0.59 0.00 0.29 2.37 4.20 -1.30 -2.33 115.11 118.93 2cpk h GLN 245 Ca 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 2cpk h GLN 245 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2cpk h GLN 245 CO -0.24 0.15 -0.14 0.82 -0.67 0.00 0.00 178.83 178.75 2cpk h ILE 246 N 0.00 0.46 -0.58 2.54 2.04 0.23 -3.09 117.51 119.10 2cpk h ILE 246 Ca -0.00 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.10 2cpk h ILE 246 Cb 0.90 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2cpk h ILE 246 CO 0.02 0.11 0.39 1.88 0.00 0.00 0.00 178.15 180.55 2cpk h TYR 247 N -0.98 0.50 -0.80 1.37 0.05 -0.81 0.32 116.97 116.63 2cpk h TYR 247 Ca -0.04 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.79 2cpk h TYR 247 Cb 0.48 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.00 2cpk h TYR 247 CO 0.04 0.26 0.51 1.49 -1.05 0.00 0.00 178.16 179.41 2cpk h GLU 248 N 0.49 0.94 -0.09 4.88 4.81 -1.50 -2.74 114.58 121.39 2cpk h GLU 248 Ca 0.26 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2cpk h GLU 248 Cb 0.38 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2cpk h GLU 248 CO -0.07 0.62 -0.23 0.87 -0.73 0.00 0.00 179.01 179.47 2cpk h LYS 249 N 0.97 0.31 -0.85 1.92 1.57 -0.32 -3.21 116.57 116.96 2cpk h LYS 249 Ca 0.33 -0.22 0.12 0.00 -1.87 0.00 0.00 60.65 59.01 2cpk h LYS 249 Cb 0.06 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.27 2cpk h LYS 249 CO -0.13 0.83 -0.43 0.82 -0.57 0.00 0.00 179.45 179.97 2cpk h ILE 250 N -0.16 0.04 -0.51 1.86 1.08 -1.12 -2.12 117.51 116.57 2cpk h ILE 250 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2cpk h ILE 250 Cb 0.84 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 2cpk h ILE 250 CO 0.05 0.00 0.21 0.58 -0.69 0.00 0.00 178.15 178.30 2cpk h VAL 251 N -0.08 1.19 -0.11 1.67 2.07 -1.58 -1.53 116.25 117.88 2cpk h VAL 251 Ca 0.26 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2cpk h VAL 251 Cb 0.55 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2cpk h VAL 251 CO -0.87 0.23 -0.40 0.77 0.02 0.00 0.00 177.57 177.32 2cpk h SER 252 N 0.73 0.25 -6.23 0.57 4.64 -1.39 -3.47 113.55 108.65 2cpk h SER 252 Ca 0.18 -0.10 -0.43 0.00 -0.47 0.00 0.00 61.79 60.97 2cpk h SER 252 Cb 0.14 -0.07 0.08 0.00 -0.31 0.00 0.00 62.40 62.24 2cpk h SER 252 CO -0.02 0.63 -0.92 0.61 -0.87 0.00 0.00 176.83 176.26 2cpk n GLY 253 N -0.21 -1.01 3.24 -0.77 0.00 -0.58 -4.98 105.19 100.88 2cpk n GLY 253 Ca -0.01 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 2cpk n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cpk s LYS 254 N -5.90 3.05 -0.05 1.61 0.00 -1.26 -4.99 119.74 112.21 2cpk s LYS 254 Ca 0.45 -0.83 0.03 0.00 0.00 0.00 0.00 55.97 55.63 2cpk s LYS 254 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 37.83 34.66 2cpk s LYS 254 CO 0.86 -0.31 -0.13 0.08 0.00 0.00 0.00 175.35 175.85 2cpk s VAL 255 N 1.39 3.18 -0.09 1.79 1.01 -1.26 -5.01 120.40 121.40 2cpk s VAL 255 Ca 0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2cpk s VAL 255 Cb -0.15 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2cpk s VAL 255 CO -0.05 0.57 -0.01 -0.13 0.00 0.00 0.00 175.10 175.48 2cpk s ARG 256 N -0.81 3.04 -0.02 2.72 0.52 -1.26 -5.14 118.95 118.00 2cpk s ARG 256 Ca 0.12 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 2cpk s ARG 256 Cb -0.11 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2cpk s ARG 256 CO 0.01 0.64 -0.06 -0.06 0.02 0.00 0.00 175.30 175.86 2cpk s PHE 257 N -0.72 2.93 0.42 -0.53 0.08 -1.26 -5.04 117.98 113.88 2cpk s PHE 257 Ca 0.11 -0.00 -0.26 0.00 0.12 0.00 0.00 56.93 56.90 2cpk s PHE 257 Cb -0.12 -1.64 -0.09 0.00 -0.57 0.00 0.00 43.02 40.60 2cpk s PHE 257 CO 0.02 0.38 1.34 -0.35 -0.10 0.00 0.00 175.22 176.51 2cpk n PRO 258 N 1.70 2.09 0.33 0.24 -0.04 -1.26 -4.90 135.00 133.15 2cpk n PRO 258 Ca -0.16 0.74 0.21 0.00 -0.04 0.00 0.00 63.50 64.25 2cpk n PRO 258 Cb 0.53 -2.48 1.13 0.00 -0.04 0.00 0.00 33.50 32.63 2cpk n PRO 258 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cpk h SER 259 N 2.23 0.00 -0.03 3.54 4.64 -2.02 -1.96 113.55 119.95 2cpk h SER 259 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2cpk h SER 259 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2cpk h SER 259 CO 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 2cpk n HIS 260 N -3.31 0.08 -3.57 4.77 1.44 -1.26 -4.82 115.22 108.54 2cpk n HIS 260 Ca -0.03 -0.03 -0.36 0.00 -2.01 0.00 0.00 57.72 55.29 2cpk n HIS 260 Cb 0.08 -0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.05 2cpk n HIS 260 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2cpk s PHE 261 N -1.47 3.46 0.56 -1.40 0.40 -0.74 -5.01 117.98 113.78 2cpk s PHE 261 Ca 0.02 0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 56.73 2cpk s PHE 261 Cb 0.02 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 2cpk s PHE 261 CO 0.01 0.27 1.10 -1.54 0.70 0.00 0.00 175.22 175.77 2cpk s SER 262 N 0.37 5.71 0.22 1.36 1.04 -1.26 -4.82 113.70 116.32 2cpk s SER 262 Ca 0.15 2.07 -0.11 0.00 0.48 0.00 0.00 55.95 58.54 2cpk s SER 262 Cb -0.13 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.72 2cpk s SER 262 CO 0.03 -1.22 1.64 0.28 0.98 0.00 0.00 173.24 174.95 2cpk h SER 263 N 0.96 -0.43 -0.25 7.02 0.02 -1.97 0.31 113.55 119.20 2cpk h SER 263 Ca -0.49 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2cpk h SER 263 Cb 1.25 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 2cpk h SER 263 CO 0.57 -0.17 0.11 0.44 -1.14 0.00 0.00 176.83 176.63 2cpk h ASP 264 N 0.06 0.14 -0.13 3.07 3.32 -1.98 0.36 116.42 121.26 2cpk h ASP 264 Ca 0.33 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 2cpk h ASP 264 Cb 0.53 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2cpk h ASP 264 CO -0.61 0.11 -0.19 0.25 -1.72 0.00 0.00 179.24 177.09 2cpk h LEU 265 N 0.23 0.53 -0.50 1.55 5.85 -1.21 0.91 115.31 122.68 2cpk h LEU 265 Ca 0.11 -0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 2cpk h LEU 265 Cb 0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2cpk h LEU 265 CO -0.10 0.73 -0.46 0.11 -0.34 0.00 0.00 178.44 178.39 2cpk h LYS 266 N 0.48 0.71 -0.42 1.25 6.56 0.71 -1.06 116.57 124.81 2cpk h LYS 266 Ca 0.08 -0.40 -0.08 0.00 -1.06 0.00 0.00 60.65 59.19 2cpk h LYS 266 Cb 0.60 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 2cpk h LYS 266 CO 0.04 1.02 -0.08 0.22 -2.06 0.00 0.00 179.45 178.59 2cpk h ASP 267 N 0.57 0.70 0.25 0.86 3.58 0.18 0.13 116.42 122.69 2cpk h ASP 267 Ca 0.03 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2cpk h ASP 267 Cb 1.01 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2cpk h ASP 267 CO 0.10 0.83 -0.12 0.25 -2.88 0.00 0.00 179.24 177.41 2cpk h LEU 268 N 0.66 -0.29 -1.34 2.28 6.46 -0.27 -2.35 115.31 120.47 2cpk h LEU 268 Ca 0.12 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2cpk h LEU 268 Cb 0.53 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2cpk h LEU 268 CO 0.03 -0.05 0.09 -0.07 -0.62 0.00 0.00 178.44 177.83 2cpk h LEU 269 N -0.53 0.49 -1.78 2.25 4.07 -0.97 0.48 115.31 119.33 2cpk h LEU 269 Ca -0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 2cpk h LEU 269 Cb 0.39 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 2cpk h LEU 269 CO 0.06 0.50 -0.14 0.03 -1.08 0.00 0.00 178.44 177.80 2cpk h ARG 270 N 0.53 0.00 0.05 1.13 -0.00 -0.63 0.12 114.38 115.58 2cpk h ARG 270 Ca 0.13 0.00 -0.27 0.00 -0.50 0.00 0.00 59.98 59.34 2cpk h ARG 270 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.15 2cpk h ARG 270 CO -0.00 0.14 -1.39 -0.91 0.00 0.00 0.00 179.97 177.81 2cpk h ASN 271 N 0.00 0.15 0.00 7.04 -0.26 0.47 -3.38 115.58 119.60 2cpk h ASN 271 Ca -0.00 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.47 2cpk h ASN 271 Cb 0.27 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2cpk h ASN 271 CO 0.02 1.18 -0.36 -0.07 -1.06 0.00 0.00 177.43 177.13 2cpk h LEU 272 N 0.03 0.00 -5.57 1.61 4.07 -0.73 -1.99 115.31 112.73 2cpk h LEU 272 Ca -0.17 -0.68 -0.72 0.00 0.08 0.00 0.00 57.88 56.39 2cpk h LEU 272 Cb 1.93 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.60 2cpk h LEU 272 CO 0.13 1.05 2.94 0.18 -1.08 0.00 0.00 178.44 181.66 2cpk n LEU 273 N -4.59 7.98 -4.45 1.67 4.77 0.38 -4.43 117.00 118.34 2cpk n LEU 273 Ca -0.14 -4.59 -0.35 0.00 -0.03 0.00 0.00 56.01 50.89 2cpk n LEU 273 Cb 0.46 -1.48 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 2cpk n LEU 273 CO 0.24 1.87 -0.31 -1.58 -1.33 0.00 0.00 177.39 176.28 2cpk s GLN 274 N 0.69 3.64 0.45 3.23 2.00 -1.26 -4.93 119.66 123.47 2cpk s GLN 274 Ca 0.57 -0.50 0.23 0.00 -2.00 0.00 0.00 55.36 53.66 2cpk s GLN 274 Cb 0.17 -3.16 1.03 0.00 0.80 0.00 0.00 33.01 31.84 2cpk s GLN 274 CO -0.07 -0.05 1.89 0.28 -0.50 0.00 0.00 175.29 176.84 2cpk h VAL 275 N 5.42 0.69 -3.26 1.34 2.07 -1.94 -3.39 116.25 117.19 2cpk h VAL 275 Ca -0.37 -1.03 -0.76 0.00 0.82 0.00 0.00 66.70 65.36 2cpk h VAL 275 Cb 1.18 1.66 -0.24 0.00 -1.52 0.00 0.00 31.29 32.36 2cpk h VAL 275 CO 0.60 0.23 -0.08 -0.62 0.02 0.00 0.00 177.57 177.73 2cpk s ASP 276 N -6.29 6.35 0.27 0.57 2.15 -1.26 -4.90 116.67 113.55 2cpk s ASP 276 Ca -0.01 -2.00 0.03 0.00 0.43 0.00 0.00 52.55 51.00 2cpk s ASP 276 Cb 0.12 -2.22 0.69 0.00 -0.30 0.00 0.00 42.92 41.20 2cpk s ASP 276 CO 0.64 -0.81 1.33 0.18 -0.17 0.00 0.00 175.17 176.34 2cpk n LEU 277 N 5.04 -0.07 -0.28 -1.34 4.77 -1.26 -0.22 117.00 123.64 2cpk n LEU 277 Ca -0.05 1.44 0.09 0.00 -0.03 0.00 0.00 56.01 57.45 2cpk n LEU 277 Cb 0.42 -0.54 0.24 0.00 -2.33 0.00 0.00 43.42 41.21 2cpk n LEU 277 CO 0.49 -1.47 1.03 0.71 -1.33 0.00 0.00 177.39 176.81 2cpk h THR 278 N 0.00 0.57 -0.57 -5.08 1.35 -1.93 -0.24 112.91 107.01 2cpk h THR 278 Ca 0.53 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2cpk h THR 278 Cb 1.13 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2cpk h THR 278 CO -0.79 0.08 0.00 0.29 -0.25 0.00 0.00 175.52 174.85 2cpk n LYS 279 N -5.03 3.22 -3.04 4.72 4.01 0.70 -4.74 118.16 117.99 2cpk n LYS 279 Ca 0.18 -2.43 -0.40 0.00 -0.51 0.00 0.00 58.31 55.15 2cpk n LYS 279 Cb 0.52 -1.76 -0.05 0.00 -0.51 0.00 0.00 35.03 33.23 2cpk n LYS 279 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2cpk s ARG 280 N -1.71 4.28 0.19 1.97 3.52 -0.10 -4.97 118.95 122.14 2cpk s ARG 280 Ca 0.44 0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 56.52 2cpk s ARG 280 Cb 0.27 -3.55 -0.16 0.00 -1.56 0.00 0.00 34.95 29.95 2cpk s ARG 280 CO 0.22 -0.20 0.82 1.19 -0.81 0.00 0.00 175.30 176.52 2cpk n PHE 281 N 4.83 0.39 0.00 5.12 3.01 -0.75 0.06 117.46 130.12 2cpk n PHE 281 Ca 0.00 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.33 2cpk n PHE 281 Cb 0.50 -2.10 0.00 0.00 -0.01 0.00 0.00 39.48 37.87 2cpk n PHE 281 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cpk n GLY 282 N 1.76 2.33 0.13 1.37 0.00 -1.25 -4.76 105.19 104.77 2cpk n GLY 282 Ca 0.16 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2cpk n GLY 282 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cpk n ASN 283 N 1.03 0.72 -4.45 1.61 5.15 0.11 -4.45 115.26 114.98 2cpk n ASN 283 Ca 0.00 -0.56 -0.27 0.00 -0.60 0.00 0.00 54.58 53.15 2cpk n ASN 283 Cb 0.00 0.13 0.14 0.00 -0.53 0.00 0.00 39.78 39.52 2cpk n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2cpk s LEU 284 N -2.70 2.81 0.18 1.20 1.43 -1.20 -4.94 118.68 115.45 2cpk s LEU 284 Ca 0.19 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 2cpk s LEU 284 Cb 0.19 -2.33 0.12 0.00 0.03 0.00 0.00 46.19 44.20 2cpk s LEU 284 CO 0.58 -2.26 1.64 0.07 0.23 0.00 0.00 176.35 176.61 2cpk h LYS 285 N -1.11 -0.09 -0.25 1.70 2.10 -1.94 -0.54 116.57 116.43 2cpk h LYS 285 Ca -0.42 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2cpk h LYS 285 Cb 1.26 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2cpk h LYS 285 CO 0.43 -0.06 0.00 0.09 -2.00 0.00 0.00 179.45 177.90 2cpk n ASN 286 N -5.38 0.25 0.00 7.07 4.13 -1.26 -4.95 115.26 115.12 2cpk n ASN 286 Ca 0.03 -1.52 0.00 0.00 1.68 0.00 0.00 54.58 54.76 2cpk n ASN 286 Cb 0.29 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 2cpk n ASN 286 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cpk n GLY 287 N 0.21 3.27 0.00 7.41 0.00 -0.21 -0.66 105.19 115.21 2cpk n GLY 287 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2cpk n GLY 287 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2cpk n VAL 288 N 0.00 0.09 0.22 1.61 3.14 -1.26 -2.45 118.33 119.68 2cpk n VAL 288 Ca 0.00 0.02 0.12 0.00 -2.96 0.00 0.00 64.34 61.52 2cpk n VAL 288 Cb 0.00 -0.56 0.28 0.00 -1.06 0.00 0.00 33.84 32.51 2cpk n VAL 288 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2cpk h ASN 289 N 0.00 0.00 0.50 6.55 2.35 -1.30 -1.51 115.58 122.17 2cpk h ASN 289 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2cpk h ASN 289 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2cpk h ASN 289 CO 0.00 0.06 -0.04 0.44 -1.65 0.00 0.00 177.43 176.24 2cpk h ASP 290 N 0.00 0.00 0.00 5.81 3.32 -1.56 -2.59 116.42 121.40 2cpk h ASP 290 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2cpk h ASP 290 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2cpk h ASP 290 CO 0.01 0.04 -0.94 0.40 -1.72 0.00 0.00 179.24 177.03 2cpk h ILE 291 N 0.00 0.72 0.00 0.35 2.04 -1.63 -3.22 117.51 115.77 2cpk h ILE 291 Ca -0.00 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.00 2cpk h ILE 291 Cb 0.30 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2cpk h ILE 291 CO 0.01 0.24 0.09 0.11 0.00 0.00 0.00 178.15 178.60 2cpk h LYS 292 N -1.00 0.00 -0.01 2.37 1.57 -1.20 -2.56 116.57 115.74 2cpk h LYS 292 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2cpk h LYS 292 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2cpk h LYS 292 CO -0.14 0.00 -0.12 0.09 -0.57 0.00 0.00 179.45 178.71 2cpk n ASN 293 N -2.85 1.79 -4.77 0.86 3.02 -0.98 -4.82 115.26 107.50 2cpk n ASN 293 Ca -0.02 -1.40 -0.38 0.00 -0.03 0.00 0.00 54.58 52.75 2cpk n ASN 293 Cb 0.14 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 2cpk n ASN 293 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2cpk s HIS 294 N -1.35 3.09 0.13 3.10 2.46 -0.96 -4.90 115.29 116.87 2cpk s HIS 294 Ca 0.13 1.57 -0.12 0.00 0.47 0.00 0.00 55.06 57.11 2cpk s HIS 294 Cb 0.11 -3.35 0.11 0.00 -0.13 0.00 0.00 32.58 29.32 2cpk s HIS 294 CO 0.24 -1.22 0.96 1.63 -2.47 0.00 0.00 174.74 173.88 2cpk n LYS 295 N 0.04 -0.17 -0.33 2.88 5.02 -1.26 -0.53 118.16 123.82 2cpk n LYS 295 Ca 0.04 0.95 0.23 0.00 -2.02 0.00 0.00 58.31 57.51 2cpk n LYS 295 Cb 0.47 -1.41 0.45 0.00 -0.02 0.00 0.00 35.03 34.52 2cpk n LYS 295 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 2cpk h TRP 296 N 0.00 0.76 -0.61 2.13 7.01 -1.91 -1.07 115.95 122.26 2cpk h TRP 296 Ca 0.19 0.04 -0.20 0.00 2.11 0.00 0.00 58.89 61.04 2cpk h TRP 296 Cb 0.35 -0.18 -0.12 0.00 -2.10 0.00 0.00 29.16 27.12 2cpk h TRP 296 CO -0.56 -0.24 0.25 1.19 -2.79 0.00 0.00 178.44 176.29 2cpk n PHE 297 N -5.13 2.01 0.19 2.65 3.72 0.32 -4.32 117.46 116.90 2cpk n PHE 297 Ca 0.30 -1.05 0.04 0.00 -0.05 0.00 0.00 57.45 56.70 2cpk n PHE 297 Cb 0.96 -0.61 0.39 0.00 -0.94 0.00 0.00 39.48 39.29 2cpk n PHE 297 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cpk h ALA 298 N 2.45 1.30 0.00 4.37 0.00 -1.30 -0.99 119.26 125.08 2cpk h ALA 298 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2cpk h ALA 298 Cb 2.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2cpk h ALA 298 CO 0.62 0.44 0.00 1.15 0.00 0.00 0.00 179.25 181.47 2cpk h THR 299 N 0.00 0.00 -2.81 0.00 2.02 -1.84 -3.45 112.91 106.83 2cpk h THR 299 Ca -0.00 -0.51 -0.55 0.00 0.77 0.00 0.00 66.41 66.11 2cpk h THR 299 Cb 0.68 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 2cpk h THR 299 CO 0.05 0.00 1.17 -0.89 0.37 0.00 0.00 175.52 176.22 2cpk s THR 300 N -3.32 3.69 -0.80 3.16 2.01 -0.38 -4.94 115.64 115.06 2cpk s THR 300 Ca 0.06 0.64 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 2cpk s THR 300 Cb 0.09 -4.10 0.06 0.00 0.01 0.00 0.00 72.50 68.56 2cpk s THR 300 CO 0.54 -0.81 1.22 -0.62 -0.69 0.00 0.00 174.62 174.25 2cpk s ASP 301 N 5.20 6.28 0.33 3.53 2.15 -1.26 -4.89 116.67 128.01 2cpk s ASP 301 Ca 0.64 -0.97 0.01 0.00 0.43 0.00 0.00 52.55 52.66 2cpk s ASP 301 Cb -0.15 -2.51 0.57 0.00 -0.30 0.00 0.00 42.92 40.54 2cpk s ASP 301 CO 0.29 -1.58 1.99 -0.50 -0.17 0.00 0.00 175.17 175.19 2cpk h TRP 302 N 9.74 0.90 0.00 -5.34 4.06 -1.95 -1.33 115.95 122.02 2cpk h TRP 302 Ca -0.14 0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.69 2cpk h TRP 302 Cb 1.04 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 2cpk h TRP 302 CO 1.12 0.55 -0.67 0.97 -3.56 0.00 0.00 178.44 176.85 2cpk h ILE 303 N 0.95 1.44 -0.08 1.49 6.09 -1.99 -1.96 117.51 123.45 2cpk h ILE 303 Ca 0.28 -2.33 -0.10 0.00 -1.37 0.00 0.00 64.86 61.33 2cpk h ILE 303 Cb -0.06 2.27 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 2cpk h ILE 303 CO -0.07 0.66 -0.42 0.00 -3.07 0.00 0.00 178.15 175.25 2cpk h ALA 304 N 1.33 1.16 0.09 0.18 0.00 -1.68 0.43 119.26 120.76 2cpk h ALA 304 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2cpk h ALA 304 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2cpk h ALA 304 CO 0.09 0.58 -0.04 0.82 0.00 0.00 0.00 179.25 180.69 2cpk h ILE 305 N 0.14 1.11 -0.94 0.00 1.08 -0.88 -1.90 117.51 116.13 2cpk h ILE 305 Ca 0.01 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 2cpk h ILE 305 Cb 0.80 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 36.08 2cpk h ILE 305 CO 0.06 0.18 0.62 0.22 -0.69 0.00 0.00 178.15 178.54 2cpk h TYR 306 N -0.45 1.18 0.00 1.37 3.20 -0.99 -0.66 116.97 120.62 2cpk h TYR 306 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cpk h TYR 306 Cb 0.38 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2cpk h TYR 306 CO 0.04 0.73 0.00 1.04 -1.64 0.00 0.00 178.16 178.33 2cpk n GLN 307 N -4.40 0.01 -3.42 1.82 6.02 0.15 -4.92 117.38 112.64 2cpk n GLN 307 Ca 0.11 0.14 -0.17 0.00 -0.01 0.00 0.00 57.00 57.07 2cpk n GLN 307 Cb 0.03 -1.52 0.08 0.00 1.02 0.00 0.00 30.24 29.84 2cpk n GLN 307 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2cpk n ARG 308 N -1.54 -5.33 0.00 -1.09 1.74 -0.26 -4.94 116.66 105.24 2cpk n ARG 308 Ca 0.05 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2cpk n ARG 308 Cb 0.25 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 25.94 2cpk n ARG 308 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2cpk n LYS 309 N -3.94 0.88 -2.87 5.56 2.85 -0.74 -5.01 118.16 114.88 2cpk n LYS 309 Ca -0.24 -0.77 -0.35 0.00 -1.05 0.00 0.00 58.31 55.91 2cpk n LYS 309 Cb 0.66 -0.67 -0.07 0.00 -0.65 0.00 0.00 35.03 34.30 2cpk n LYS 309 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2cpk s VAL 310 N -0.30 4.38 0.09 0.58 1.01 -1.15 -4.99 120.40 120.01 2cpk s VAL 310 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 2cpk s VAL 310 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2cpk s VAL 310 CO 0.00 -0.08 1.02 -1.83 0.00 0.00 0.00 175.10 174.21 2cpk s GLU 311 N -2.62 4.61 0.08 2.72 1.03 -1.26 -4.99 118.70 118.27 2cpk s GLU 311 Ca 0.55 1.53 -0.31 0.00 0.03 0.00 0.00 54.97 56.76 2cpk s GLU 311 Cb -0.13 -3.38 -0.08 0.00 -0.80 0.00 0.00 34.13 29.74 2cpk s GLU 311 CO 0.18 0.06 1.54 0.00 -1.33 0.00 0.00 175.26 175.72 2cpk s ALA 312 N 0.36 3.67 0.24 -0.84 0.00 -1.26 -4.94 121.76 119.00 2cpk s ALA 312 Ca 0.50 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 2cpk s ALA 312 Cb -0.24 -3.64 0.45 0.00 0.00 0.00 0.00 23.12 19.69 2cpk s ALA 312 CO 0.30 -0.92 1.74 -1.35 0.00 0.00 0.00 175.76 175.53 2cpk h PRO 313 N 7.69 0.47 -5.51 0.00 0.11 -1.92 -3.42 132.00 129.41 2cpk h PRO 313 Ca -0.42 -0.03 -0.44 0.00 0.11 0.00 0.00 66.00 65.23 2cpk h PRO 313 Cb 1.20 -0.11 -0.21 0.00 0.11 0.00 0.00 31.00 31.99 2cpk h PRO 313 CO 0.91 0.31 -0.78 0.12 -0.21 0.00 0.00 178.00 178.35 2cpk s PHE 314 N -6.02 1.36 -0.10 0.65 2.19 -1.26 -5.13 117.98 109.67 2cpk s PHE 314 Ca -0.12 -0.47 -0.05 0.00 0.33 0.00 0.00 56.93 56.62 2cpk s PHE 314 Cb 0.20 -0.75 0.05 0.00 -1.31 0.00 0.00 43.02 41.21 2cpk s PHE 314 CO 0.76 0.10 0.24 0.42 1.83 0.00 0.00 175.22 178.57 2cpk s ILE 315 N -1.41 -0.07 0.37 3.12 1.01 -1.26 -4.31 121.20 118.65 2cpk s ILE 315 Ca 0.02 0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 2cpk s ILE 315 Cb -0.09 -0.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.91 2cpk s ILE 315 CO 0.03 0.07 0.87 -2.16 0.00 0.00 0.00 174.94 173.75 2cpk s PRO 316 N 1.34 4.22 -0.29 2.79 0.04 -1.26 -5.01 135.00 136.82 2cpk s PRO 316 Ca -0.08 1.00 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 2cpk s PRO 316 Cb -0.11 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2cpk s PRO 316 CO -0.08 0.10 0.83 -1.59 0.04 0.00 0.00 177.00 176.29 2cpk s LYS 317 N -2.88 4.03 -0.23 4.56 0.00 -1.26 -4.97 119.74 118.99 2cpk s LYS 317 Ca 0.57 0.72 -0.10 0.00 0.00 0.00 0.00 55.97 57.16 2cpk s LYS 317 Cb -0.11 -3.71 -0.05 0.00 0.00 0.00 0.00 37.83 33.96 2cpk s LYS 317 CO 0.16 -0.66 0.14 0.12 0.00 0.00 0.00 175.35 175.11 2cpk s PHE 318 N 3.00 3.29 -0.99 1.78 5.36 -1.26 -4.90 117.98 124.26 2cpk s PHE 318 Ca 0.34 0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 2cpk s PHE 318 Cb -0.14 -2.23 0.20 0.00 -0.34 0.00 0.00 43.02 40.51 2cpk s PHE 318 CO 0.11 0.06 2.26 1.17 -1.46 0.00 0.00 175.22 177.37 2cpk n LYS 319 N 4.16 4.11 -0.58 10.12 4.81 -1.26 -4.94 118.16 134.58 2cpk n LYS 319 Ca -0.15 -3.58 0.07 0.00 -0.87 0.00 0.00 58.31 53.78 2cpk n LYS 319 Cb 0.52 -2.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.10 2cpk n LYS 319 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cpk n GLY 320 N 0.71 -2.73 0.24 3.14 0.00 -1.26 -4.69 105.19 100.59 2cpk n GLY 320 Ca 0.54 -1.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 2cpk n GLY 320 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cpk n PRO 321 N -3.02 0.00 -1.07 1.61 -0.02 -1.26 -1.60 135.00 129.64 2cpk n PRO 321 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2cpk n PRO 321 Cb 0.27 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 2cpk n PRO 321 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cpk n GLY 322 N 0.55 0.39 3.65 -1.23 0.00 -1.26 -4.99 105.19 102.30 2cpk n GLY 322 Ca 0.04 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2cpk n GLY 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cpk s ASP 323 N -2.99 6.82 0.00 1.61 2.15 -0.62 -4.88 116.67 118.75 2cpk s ASP 323 Ca 0.00 1.68 0.22 0.00 0.43 0.00 0.00 52.55 54.88 2cpk s ASP 323 Cb 0.00 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.60 2cpk s ASP 323 CO 0.00 -0.87 1.44 0.35 -0.17 0.00 0.00 175.17 175.92 2cpk n THR 324 N 5.60 0.52 0.30 1.71 -2.24 -1.26 -4.70 114.28 114.22 2cpk n THR 324 Ca 0.15 -0.68 0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2cpk n THR 324 Cb 0.45 0.71 0.97 0.00 -2.10 0.00 0.00 70.33 70.36 2cpk n THR 324 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2cpk h SER 325 N 3.78 0.00 0.00 3.42 4.64 -1.90 -1.22 113.55 122.27 2cpk h SER 325 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cpk h SER 325 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2cpk h SER 325 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 2cpk n ASN 326 N -3.70 0.00 -4.26 4.97 3.02 -1.26 -4.77 115.26 109.26 2cpk n ASN 326 Ca -0.03 -1.69 -0.28 0.00 -0.03 0.00 0.00 54.58 52.55 2cpk n ASN 326 Cb 0.09 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.10 2cpk n ASN 326 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2cpk s PHE 327 N -2.00 1.99 0.93 3.10 0.08 -0.46 -4.13 117.98 117.49 2cpk s PHE 327 Ca 0.05 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.60 2cpk s PHE 327 Cb 0.02 -1.26 0.15 0.00 -0.57 0.00 0.00 43.02 41.36 2cpk s PHE 327 CO 0.04 -0.00 1.09 -0.51 -0.10 0.00 0.00 175.22 175.74 2cpk s ASP 328 N -0.68 3.14 -0.22 1.36 1.01 -1.26 -4.98 116.67 115.03 2cpk s ASP 328 Ca 0.09 1.42 -0.12 0.00 0.71 0.00 0.00 52.55 54.64 2cpk s ASP 328 Cb -0.09 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 2cpk s ASP 328 CO -0.00 -2.84 0.23 -1.81 0.21 0.00 0.00 175.17 170.96 2cpk s ASP 329 N -3.39 6.22 0.38 0.27 1.01 -1.26 -4.84 116.67 115.06 2cpk s ASP 329 Ca 0.64 0.25 0.08 0.00 0.71 0.00 0.00 52.55 54.22 2cpk s ASP 329 Cb -0.18 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 2cpk s ASP 329 CO 0.57 0.03 0.37 -0.31 0.21 0.00 0.00 175.17 176.04 2cpk s TYR 330 N 1.08 2.82 -0.22 4.23 2.02 -1.26 -5.12 117.35 120.90 2cpk s TYR 330 Ca 0.11 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 2cpk s TYR 330 Cb -0.14 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2cpk s TYR 330 CO 0.05 -0.02 0.08 -1.83 -1.57 0.00 0.00 175.55 172.26 2cpk s GLU 331 N -4.10 3.83 0.11 -0.62 -1.05 -1.26 -4.89 118.70 110.71 2cpk s GLU 331 Ca 0.46 -0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 54.57 2cpk s GLU 331 Cb -0.05 -3.31 -0.06 0.00 -0.44 0.00 0.00 34.13 30.26 2cpk s GLU 331 CO 0.28 0.02 1.17 -1.21 0.95 0.00 0.00 175.26 176.47 2cpk s GLU 332 N 1.07 4.49 0.17 -4.83 0.41 -1.26 -5.04 118.70 113.71 2cpk s GLU 332 Ca 0.05 1.76 0.07 0.00 -0.41 0.00 0.00 54.97 56.44 2cpk s GLU 332 Cb -0.14 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 28.85 2cpk s GLU 332 CO 0.03 -0.14 0.02 -1.21 -0.49 0.00 0.00 175.26 173.47 2cpk s GLU 333 N 0.47 2.47 -0.01 1.61 8.01 -1.26 -5.12 118.70 124.87 2cpk s GLU 333 Ca 0.55 -1.08 -0.21 0.00 0.01 0.00 0.00 54.97 54.23 2cpk s GLU 333 Cb -0.30 -2.39 -0.05 0.00 -4.31 0.00 0.00 34.13 27.08 2cpk s GLU 333 CO 0.32 0.46 0.63 -1.83 0.01 0.00 0.00 175.26 174.84 2cpk s GLU 334 N -2.98 4.36 -0.02 1.61 1.03 -1.26 -5.01 118.70 116.43 2cpk s GLU 334 Ca 0.28 0.79 -0.28 0.00 0.03 0.00 0.00 54.97 55.79 2cpk s GLU 334 Cb -0.09 -3.36 -0.03 0.00 -0.80 0.00 0.00 34.13 29.84 2cpk s GLU 334 CO 0.19 0.31 0.88 0.96 -1.33 0.00 0.00 175.26 176.27 2cpk s ILE 335 N -0.02 4.93 -0.01 1.83 -5.25 -1.26 -5.00 121.20 116.42 2cpk s ILE 335 Ca 0.33 1.85 -0.00 0.00 -0.99 0.00 0.00 60.65 61.83 2cpk s ILE 335 Cb -0.18 -4.22 0.02 0.00 2.95 0.00 0.00 42.46 41.02 2cpk s ILE 335 CO 0.18 0.19 0.02 -0.13 -1.79 0.00 0.00 174.94 173.41 2cpk s ARG 336 N 0.93 -0.02 0.46 0.37 3.00 -1.26 -5.24 118.95 117.19 2cpk s ARG 336 Ca 0.47 0.11 0.06 0.00 0.00 0.00 0.00 55.73 56.37 2cpk s ARG 336 Cb -0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 34.95 34.60 2cpk s ARG 336 CO 0.25 -0.09 0.27 0.54 0.00 0.00 0.00 175.30 176.26 2cpk s VAL 337 N 0.60 2.09 -0.57 3.52 0.11 -1.26 -4.87 120.40 120.01 2cpk s VAL 337 Ca -0.05 -1.60 0.05 0.00 -2.93 0.00 0.00 61.98 57.45 2cpk s VAL 337 Cb -0.07 -2.68 0.02 0.00 -1.53 0.00 0.00 36.38 32.12 2cpk s VAL 337 CO -0.02 0.00 0.57 2.30 -3.33 0.00 0.00 175.10 174.63 2cpk n ILE 339 N -1.45 0.00 -4.60 7.04 -5.35 -1.26 -4.93 119.36 108.81 2cpk n ILE 339 Ca -0.02 -0.48 -0.27 0.00 -0.27 0.00 0.00 62.75 61.72 2cpk n ILE 339 Cb 0.64 1.09 -0.17 0.00 -1.74 0.00 0.00 39.64 39.46 2cpk n ILE 339 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2cpk s ASN 340 N -0.64 2.14 0.12 7.28 0.01 -1.26 -5.06 114.94 117.53 2cpk s ASN 340 Ca 0.05 -0.37 -0.33 0.00 -0.71 0.00 0.00 52.86 51.50 2cpk s ASN 340 Cb 0.04 -0.97 -0.13 0.00 0.41 0.00 0.00 41.25 40.60 2cpk s ASN 340 CO 0.09 0.04 1.69 1.21 -1.51 0.00 0.00 177.10 178.62 2cpk n GLU 341 N 3.93 2.34 0.00 -0.60 2.13 -1.26 -4.73 120.64 122.45 2cpk n GLU 341 Ca -0.21 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2cpk n GLU 341 Cb 0.52 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.57 2cpk n GLU 341 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2cpk n LYS 342 N 4.35 0.00 -1.72 5.31 4.76 -0.36 -4.80 118.16 125.70 2cpk n LYS 342 Ca 0.18 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.20 2cpk n LYS 342 Cb 0.31 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.50 2cpk n LYS 342 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cpk h GLY 344 N 9.19 -0.10 1.92 0.00 0.00 -1.95 -2.71 103.07 109.43 2cpk h GLY 344 Ca 0.61 0.32 -0.15 0.00 0.00 0.00 0.00 47.33 48.11 2cpk h GLY 344 CO 1.84 -0.20 -0.68 0.50 0.00 0.00 0.00 176.54 177.99 2cpk h LYS 345 N -0.21 0.08 -0.22 4.80 6.56 -2.01 -3.20 116.57 122.37 2cpk h LYS 345 Ca 0.17 -0.06 -0.14 0.00 -1.06 0.00 0.00 60.65 59.55 2cpk h LYS 345 Cb 0.48 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2cpk h LYS 345 CO -0.47 0.73 -0.42 0.93 -2.06 0.00 0.00 179.45 178.16 2cpk h GLU 346 N 0.05 0.67 -0.65 3.15 3.07 -1.89 -3.09 114.58 115.89 2cpk h GLU 346 Ca -0.01 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2cpk h GLU 346 Cb 1.21 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 2cpk h GLU 346 CO 0.09 1.05 0.00 1.19 -1.40 0.00 0.00 179.01 179.94 2cpk n PHE 347 N -4.20 1.42 0.30 4.33 3.72 -1.12 -4.54 117.46 117.36 2cpk n PHE 347 Ca -0.05 -0.52 0.20 0.00 -0.05 0.00 0.00 57.45 57.03 2cpk n PHE 347 Cb 0.55 -0.32 1.06 0.00 -0.94 0.00 0.00 39.48 39.84 2cpk n PHE 347 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2cpk h THR 348 N 3.19 0.00 -0.41 4.37 1.35 -1.53 -1.88 112.91 118.00 2cpk h THR 348 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2cpk h THR 348 Cb 1.44 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2cpk h THR 348 CO 0.29 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.72 2cpk n GLU 349 N -2.89 2.52 0.00 4.72 0.28 -1.26 -5.14 120.64 118.87 2cpk n GLU 349 Ca -0.03 -2.30 0.14 0.00 -0.16 0.00 0.00 57.16 54.82 2cpk n GLU 349 Cb 0.07 -1.52 0.84 0.00 1.43 0.00 0.00 31.44 32.26 2cpk n GLU 349 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31