#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1h s HIS 11 N 0.00 3.27 -0.47 3.52 4.02 -1.26 -5.04 115.29 119.33 2c1h s HIS 11 Ca 0.00 0.35 0.03 0.00 1.02 0.00 0.00 55.06 56.46 2c1h s HIS 11 Cb 0.00 -2.48 0.14 0.00 -1.02 0.00 0.00 32.58 29.22 2c1h s HIS 11 CO 0.00 -0.14 0.28 1.03 1.02 0.00 0.00 174.74 176.93 2c1h s ARG 12 N 1.74 1.41 0.65 1.40 0.52 -1.26 -4.99 118.95 118.43 2c1h s ARG 12 Ca 0.13 -2.20 0.35 0.00 -0.52 0.00 0.00 55.73 53.48 2c1h s ARG 12 Cb -0.15 -2.39 1.90 0.00 0.52 0.00 0.00 34.95 34.83 2c1h s ARG 12 CO 0.09 -1.20 2.11 -1.35 0.02 0.00 0.00 175.30 174.97 2c1h h PRO 13 N 6.43 0.00 0.00 3.54 0.11 -2.03 -1.99 132.00 138.07 2c1h h PRO 13 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2c1h h PRO 13 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2c1h h PRO 13 CO 0.50 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 2c1h n ARG 14 N -3.17 0.04 0.04 1.05 1.74 -1.26 -2.36 116.66 112.74 2c1h n ARG 14 Ca -0.01 0.37 -0.01 0.00 -0.77 0.00 0.00 57.85 57.43 2c1h n ARG 14 Cb 0.27 -1.60 0.29 0.00 -1.02 0.00 0.00 32.46 30.41 2c1h n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c1h h ARG 15 N 0.00 0.42 -0.21 5.56 3.08 -1.81 -1.60 114.38 119.83 2c1h h ARG 15 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2c1h h ARG 15 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2c1h h ARG 15 CO 0.00 0.55 0.00 1.28 -1.07 0.00 0.00 179.97 180.73 2c1h n LEU 16 N -4.22 1.22 0.00 3.04 4.77 -1.00 -3.52 117.00 117.30 2c1h n LEU 16 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2c1h n LEU 16 Cb 0.31 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2c1h n LEU 16 CO 0.40 0.30 0.25 0.54 -1.33 0.00 0.00 177.39 177.54 2c1h n ARG 17 N 0.14 0.12 0.20 3.23 1.74 -0.65 -3.75 116.66 117.68 2c1h n ARG 17 Ca 0.09 -0.59 0.06 0.00 -0.77 0.00 0.00 57.85 56.64 2c1h n ARG 17 Cb 0.20 -0.85 0.44 0.00 -1.02 0.00 0.00 32.46 31.23 2c1h n ARG 17 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2c1h h ARG 18 N 0.00 0.00 -3.53 5.56 2.43 -1.46 -3.45 114.38 113.93 2c1h h ARG 18 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2c1h h ARG 18 Cb 0.30 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 29.66 2c1h h ARG 18 CO 0.00 0.31 -0.46 -0.08 -1.51 0.00 0.00 179.97 178.23 2c1h s THR 19 N -3.98 0.09 0.52 0.20 -1.32 -1.26 -5.02 115.64 104.87 2c1h s THR 19 Ca -0.02 -0.77 0.26 0.00 -1.21 0.00 0.00 61.69 59.95 2c1h s THR 19 Cb 0.13 -0.60 0.42 0.00 -1.51 0.00 0.00 72.50 70.94 2c1h s THR 19 CO 0.68 -0.42 1.95 0.00 -2.21 0.00 0.00 174.62 174.61 2c1h h ALA 20 N 4.00 2.56 -0.59 11.08 0.00 -1.97 -0.41 119.26 133.92 2c1h h ALA 20 Ca -0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2c1h h ALA 20 Cb 1.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2c1h h ALA 20 CO 0.43 -0.75 0.04 0.00 0.00 0.00 0.00 179.25 178.97 2c1h h ALA 21 N 1.67 0.95 0.20 0.00 0.00 -1.99 -2.59 119.26 117.50 2c1h h ALA 21 Ca 0.32 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 2c1h h ALA 21 Cb 1.21 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2c1h h ALA 21 CO -0.02 0.64 -1.44 -0.07 0.00 0.00 0.00 179.25 178.36 2c1h h LEU 22 N 0.93 0.66 -0.97 0.00 3.38 -1.47 -3.20 115.31 114.64 2c1h h LEU 22 Ca 0.18 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2c1h h LEU 22 Cb 0.49 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2c1h h LEU 22 CO 0.02 1.59 0.51 0.03 0.09 0.00 0.00 178.44 180.68 2c1h h ARG 23 N 0.12 1.23 -0.09 1.13 3.08 -1.18 -2.59 114.38 116.07 2c1h h ARG 23 Ca -0.23 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 2c1h h ARG 23 Cb 2.09 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 2c1h h ARG 23 CO 0.24 0.88 -0.47 -0.91 -1.07 0.00 0.00 179.97 178.63 2c1h h ASN 24 N 1.24 0.24 -0.31 7.04 4.21 -1.57 -2.30 115.58 124.13 2c1h h ASN 24 Ca 0.32 -0.11 -0.18 0.00 1.21 0.00 0.00 56.30 57.54 2c1h h ASN 24 Cb -0.01 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.12 2c1h h ASN 24 CO -0.06 0.68 -0.50 -0.07 -1.29 0.00 0.00 177.43 176.20 2c1h h LEU 25 N 0.19 0.98 -0.63 1.61 3.38 -1.49 -3.27 115.31 116.08 2c1h h LEU 25 Ca 0.01 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2c1h h LEU 25 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2c1h h LEU 25 CO 0.07 1.31 -0.29 1.33 0.09 0.00 0.00 178.44 180.95 2c1h n VAL 26 N -4.03 0.00 -1.68 1.22 0.24 -1.00 -4.93 118.33 108.14 2c1h n VAL 26 Ca -0.04 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.34 61.67 2c1h n VAL 26 Cb 0.61 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 2c1h n VAL 26 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2c1h s GLN 27 N -2.48 3.53 0.31 7.34 0.74 -0.87 -4.87 119.66 123.37 2c1h s GLN 27 Ca 0.24 2.18 0.03 0.00 0.05 0.00 0.00 55.36 57.85 2c1h s GLN 27 Cb 0.19 -4.27 0.52 0.00 1.10 0.00 0.00 33.01 30.55 2c1h s GLN 27 CO 0.52 -1.64 1.83 0.93 -0.55 0.00 0.00 175.29 176.38 2c1h h GLU 28 N 13.12 0.57 -4.07 1.67 5.08 -1.91 -3.45 114.58 125.59 2c1h h GLU 28 Ca -0.43 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 57.58 2c1h h GLU 28 Cb 1.23 -0.07 -0.23 0.00 0.50 0.00 0.00 28.75 30.18 2c1h h GLU 28 CO 0.96 0.63 -0.71 -0.80 -1.00 0.00 0.00 179.01 178.08 2c1h s ASN 29 N -6.73 0.34 0.04 1.42 0.01 -1.26 -5.11 114.94 103.66 2c1h s ASN 29 Ca -0.08 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.69 2c1h s ASN 29 Cb 0.15 0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.85 2c1h s ASN 29 CO 0.78 -0.21 -0.07 0.42 -1.51 0.00 0.00 177.10 176.51 2c1h s THR 30 N -1.12 0.46 -0.16 1.60 -4.23 -1.26 -5.00 115.64 105.92 2c1h s THR 30 Ca -0.11 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 2c1h s THR 30 Cb -0.08 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 2c1h s THR 30 CO -0.01 -0.44 0.29 -0.22 -0.54 0.00 0.00 174.62 173.71 2c1h s LEU 31 N -1.65 4.24 0.30 4.79 2.96 -1.26 -5.01 118.68 123.05 2c1h s LEU 31 Ca -0.10 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 2c1h s LEU 31 Cb -0.09 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 2c1h s LEU 31 CO -0.00 0.10 -0.06 0.42 -1.32 0.00 0.00 176.35 175.49 2c1h s THR 32 N 0.46 1.76 0.47 3.68 -4.23 -1.26 -5.03 115.64 111.50 2c1h s THR 32 Ca 0.16 -2.13 0.28 0.00 -1.18 0.00 0.00 61.69 58.82 2c1h s THR 32 Cb -0.13 -2.53 0.31 0.00 1.34 0.00 0.00 72.50 71.49 2c1h s THR 32 CO 0.04 -0.25 2.13 -0.37 -0.54 0.00 0.00 174.62 175.63 2c1h h VAL 33 N 2.20 0.57 0.00 2.29 -1.51 -1.91 -2.75 116.25 115.14 2c1h h VAL 33 Ca -0.41 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 2c1h h VAL 33 Cb 1.24 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2c1h h VAL 33 CO 0.68 0.08 0.00 0.59 -1.23 0.00 0.00 177.57 177.69 2c1h n ASN 34 N -3.74 0.00 -1.24 4.19 3.02 -1.26 -2.58 115.26 113.65 2c1h n ASN 34 Ca -0.02 -0.27 0.12 0.00 -0.03 0.00 0.00 54.58 54.38 2c1h n ASN 34 Cb 0.19 -0.21 0.26 0.00 -0.61 0.00 0.00 39.78 39.40 2c1h n ASN 34 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2c1h n ASP 35 N -1.21 3.67 -4.43 6.41 8.00 -1.04 -4.92 116.55 123.02 2c1h n ASP 35 Ca 0.14 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.31 2c1h n ASP 35 Cb 0.18 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 2c1h n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2c1h s LEU 36 N -1.33 2.99 -0.08 0.64 1.43 -1.07 -0.27 118.68 120.99 2c1h s LEU 36 Ca 0.43 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2c1h s LEU 36 Cb 0.24 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 2c1h s LEU 36 CO 0.33 0.16 -0.24 -0.69 0.23 0.00 0.00 176.35 176.13 2c1h s VAL 37 N 0.41 2.05 -0.37 -1.59 1.01 -0.22 -4.28 120.40 117.42 2c1h s VAL 37 Ca -0.07 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2c1h s VAL 37 Cb -0.15 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2c1h s VAL 37 CO 0.04 0.56 0.26 0.12 0.00 0.00 0.00 175.10 176.08 2c1h s PHE 38 N 0.16 3.23 0.28 5.22 2.19 -1.04 -1.62 117.98 126.41 2c1h s PHE 38 Ca -0.13 -0.36 -0.29 0.00 0.33 0.00 0.00 56.93 56.48 2c1h s PHE 38 Cb -0.16 -2.52 -0.10 0.00 -1.31 0.00 0.00 43.02 38.93 2c1h s PHE 38 CO 0.07 -0.45 1.17 -2.14 1.83 0.00 0.00 175.22 175.71 2c1h s PRO 39 N 1.71 4.54 -0.07 10.12 0.02 -1.26 -2.01 135.00 148.04 2c1h s PRO 39 Ca 0.06 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2c1h s PRO 39 Cb -0.18 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.20 2c1h s PRO 39 CO 0.10 0.05 -0.05 -1.17 -0.33 0.00 0.00 177.00 175.60 2c1h s LEU 40 N -1.32 1.14 -0.20 -5.54 0.20 -0.01 -4.88 118.68 108.07 2c1h s LEU 40 Ca 0.47 -0.18 -0.13 0.00 0.69 0.00 0.00 54.13 54.98 2c1h s LEU 40 Cb -0.34 -0.60 -0.05 0.00 -0.43 0.00 0.00 46.19 44.78 2c1h s LEU 40 CO 0.43 -0.09 0.25 -0.36 -0.29 0.00 0.00 176.35 176.29 2c1h s PHE 41 N 1.35 3.39 -0.13 5.38 0.08 -1.26 -0.90 117.98 125.90 2c1h s PHE 41 Ca -0.03 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.49 2c1h s PHE 41 Cb -0.14 -2.33 -0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2c1h s PHE 41 CO -0.03 0.14 -0.19 0.08 -0.10 0.00 0.00 175.22 175.12 2c1h s VAL 42 N 0.81 2.43 0.28 -0.44 1.01 0.43 -0.95 120.40 123.95 2c1h s VAL 42 Ca 0.13 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.35 2c1h s VAL 42 Cb -0.13 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2c1h s VAL 42 CO 0.04 0.54 -0.11 0.00 0.00 0.00 0.00 175.10 175.57 2c1h s MET 43 N 0.54 1.97 0.51 2.72 0.23 0.31 -0.70 119.30 124.88 2c1h s MET 43 Ca -0.12 -1.61 -0.20 0.00 -1.03 0.00 0.00 55.69 52.73 2c1h s MET 43 Cb -0.16 -1.95 -0.07 0.00 -1.53 0.00 0.00 34.83 31.11 2c1h s MET 43 CO 0.04 0.34 1.07 -1.25 -2.03 0.00 0.00 175.02 173.19 2c1h s PRO 44 N -3.59 3.62 0.00 3.16 0.04 -1.25 -4.32 135.00 132.65 2c1h s PRO 44 Ca 0.31 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2c1h s PRO 44 Cb -0.05 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2c1h s PRO 44 CO 0.17 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2c1h n GLY 45 N -0.20 0.81 3.12 0.56 0.00 -1.26 -4.98 105.19 103.24 2c1h n GLY 45 Ca 0.10 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 2c1h n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1h s THR 46 N -0.89 1.26 -1.02 2.61 -4.23 -1.26 -4.42 115.64 107.69 2c1h s THR 46 Ca 0.00 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 2c1h s THR 46 Cb 0.00 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 2c1h s THR 46 CO 0.00 0.36 0.81 -3.20 -0.54 0.00 0.00 174.62 172.05 2c1h n ASN 47 N 2.98 -6.19 -3.74 3.99 5.15 -1.26 -5.04 115.26 111.15 2c1h n ASN 47 Ca -0.17 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 52.94 2c1h n ASN 47 Cb 0.54 -4.24 -0.11 0.00 -0.53 0.00 0.00 39.78 35.43 2c1h n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2c1h s ALA 48 N -3.33 -0.79 -0.30 5.20 0.00 -1.26 -5.06 121.76 116.22 2c1h s ALA 48 Ca 0.36 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2c1h s ALA 48 Cb -0.09 -0.64 0.10 0.00 0.00 0.00 0.00 23.12 22.48 2c1h s ALA 48 CO 0.80 -0.19 0.07 0.08 0.00 0.00 0.00 175.76 176.53 2c1h s VAL 49 N 0.71 1.19 -0.25 0.00 1.01 -1.26 -2.57 120.40 119.24 2c1h s VAL 49 Ca -0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 2c1h s VAL 49 Cb -0.06 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2c1h s VAL 49 CO -0.05 -0.60 0.34 -1.61 0.00 0.00 0.00 175.10 173.18 2c1h s GLU 50 N 1.47 4.06 0.21 2.72 2.02 -0.51 -4.89 118.70 123.78 2c1h s GLU 50 Ca 0.08 0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.79 2c1h s GLU 50 Cb -0.18 -3.61 -0.08 0.00 0.10 0.00 0.00 34.13 30.37 2c1h s GLU 50 CO -0.20 -0.16 1.02 -2.00 0.02 0.00 0.00 175.26 173.95 2c1h s GLU 51 N 1.70 4.71 -0.03 1.61 2.12 -1.26 0.13 118.70 127.68 2c1h s GLU 51 Ca 0.14 1.61 -0.30 0.00 0.36 0.00 0.00 54.97 56.78 2c1h s GLU 51 Cb -0.15 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2c1h s GLU 51 CO 0.09 0.28 1.23 0.08 -0.54 0.00 0.00 175.26 176.39 2c1h s VAL 52 N -0.69 4.14 0.19 3.70 1.01 -0.77 -4.90 120.40 123.09 2c1h s VAL 52 Ca 0.45 1.49 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 2c1h s VAL 52 Cb -0.28 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.27 2c1h s VAL 52 CO 0.34 0.02 1.79 0.77 0.00 0.00 0.00 175.10 178.02 2c1h h SER 53 N 7.41 0.89 0.29 3.32 4.64 -1.95 -2.79 113.55 125.36 2c1h h SER 53 Ca -0.36 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2c1h h SER 53 Cb 1.17 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2c1h h SER 53 CO 0.87 0.76 -0.24 -1.54 -0.87 0.00 0.00 176.83 175.82 2c1h n SER 54 N -4.46 0.85 -3.69 4.97 3.41 -1.26 -4.42 113.62 109.02 2c1h n SER 54 Ca 0.06 -0.76 -0.28 0.00 -0.26 0.00 0.00 58.87 57.62 2c1h n SER 54 Cb 0.12 0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 2c1h n SER 54 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2c1h s MET 55 N -2.53 1.66 0.14 4.33 -1.94 -1.05 -4.70 119.30 115.20 2c1h s MET 55 Ca 0.24 -2.60 -0.31 0.00 -1.71 0.00 0.00 55.69 51.31 2c1h s MET 55 Cb 0.19 -2.51 -0.10 0.00 2.01 0.00 0.00 34.83 34.41 2c1h s MET 55 CO 0.52 -1.28 1.76 -2.14 -0.01 0.00 0.00 175.02 173.87 2c1h s PRO 56 N -0.49 4.15 0.00 2.03 0.02 -1.24 -1.71 135.00 137.77 2c1h s PRO 56 Ca 0.25 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2c1h s PRO 56 Cb -0.08 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2c1h s PRO 56 CO -0.13 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 2c1h n GLY 57 N 4.10 3.08 3.89 0.52 0.00 -1.26 -5.06 105.19 110.46 2c1h n GLY 57 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2c1h n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c1h s SER 58 N -1.11 6.55 0.01 1.61 0.01 -0.69 -5.05 113.70 115.04 2c1h s SER 58 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2c1h s SER 58 Cb 0.00 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 2c1h s SER 58 CO 0.00 0.06 -0.02 -0.36 0.41 0.00 0.00 173.24 173.32 2c1h s PHE 59 N -1.63 0.18 -0.11 2.43 0.40 -1.26 -1.84 117.98 116.15 2c1h s PHE 59 Ca 0.40 -0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.27 2c1h s PHE 59 Cb -0.12 -0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 2c1h s PHE 59 CO 0.22 -0.06 0.83 1.03 0.70 0.00 0.00 175.22 177.94 2c1h s ARG 60 N -0.57 4.39 0.03 0.44 0.52 0.35 -4.32 118.95 119.80 2c1h s ARG 60 Ca -0.05 1.07 0.07 0.00 -0.52 0.00 0.00 55.73 56.30 2c1h s ARG 60 Cb -0.04 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2c1h s ARG 60 CO -0.00 -0.17 -0.19 -0.06 0.02 0.00 0.00 175.30 174.90 2c1h s PHE 61 N 1.57 2.54 0.38 -0.53 0.40 -0.13 -1.43 117.98 120.79 2c1h s PHE 61 Ca 0.41 -0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 56.33 2c1h s PHE 61 Cb -0.18 -1.47 -0.08 0.00 0.51 0.00 0.00 43.02 41.80 2c1h s PHE 61 CO 0.17 0.23 0.80 0.95 0.70 0.00 0.00 175.22 178.07 2c1h s THR 62 N -0.89 4.65 0.32 0.64 -4.23 -1.06 -0.53 115.64 114.54 2c1h s THR 62 Ca 0.14 0.96 0.09 0.00 -1.18 0.00 0.00 61.69 61.70 2c1h s THR 62 Cb -0.10 -3.65 0.32 0.00 1.34 0.00 0.00 72.50 70.41 2c1h s THR 62 CO 0.04 -0.34 1.65 0.40 -0.54 0.00 0.00 174.62 175.84 2c1h h ILE 63 N 1.62 0.30 -0.23 2.99 5.03 -1.77 0.48 117.51 125.94 2c1h h ILE 63 Ca -0.48 -0.09 -0.15 0.00 -0.12 0.00 0.00 64.86 64.02 2c1h h ILE 63 Cb 1.18 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.97 2c1h h ILE 63 CO 0.64 0.05 -0.47 -2.24 -0.68 0.00 0.00 178.15 175.44 2c1h h ASP 64 N 0.27 0.65 1.53 1.72 2.03 -1.93 -2.46 116.42 118.24 2c1h h ASP 64 Ca 0.65 -0.32 -0.02 0.00 -0.73 0.00 0.00 57.03 56.62 2c1h h ASP 64 Cb 1.42 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2c1h h ASP 64 CO -0.63 1.03 -0.47 0.03 -1.03 0.00 0.00 179.24 178.16 2c1h h ARG 65 N 0.48 0.00 -0.34 4.15 2.47 -1.31 -2.92 114.38 116.91 2c1h h ARG 65 Ca 0.03 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2c1h h ARG 65 Cb 1.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 2c1h h ARG 65 CO 0.09 0.05 -0.01 0.00 0.56 0.00 0.00 179.97 180.66 2c1h h ALA 66 N 1.94 0.46 -0.34 0.04 0.00 -0.05 -1.05 119.26 120.27 2c1h h ALA 66 Ca -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2c1h h ALA 66 Cb 1.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2c1h h ALA 66 CO 0.01 0.23 0.07 0.28 0.00 0.00 0.00 179.25 179.84 2c1h h VAL 67 N 0.42 0.84 -0.70 0.00 2.07 -1.46 -0.77 116.25 116.65 2c1h h VAL 67 Ca 0.10 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.66 2c1h h VAL 67 Cb 0.47 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2c1h h VAL 67 CO 0.02 0.03 0.31 -0.08 0.02 0.00 0.00 177.57 177.87 2c1h h GLU 68 N 0.19 0.50 -0.60 1.57 4.22 -1.36 -1.82 114.58 117.29 2c1h h GLU 68 Ca 0.16 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.50 2c1h h GLU 68 Cb 0.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2c1h h GLU 68 CO -0.20 0.33 0.11 1.49 -2.18 0.00 0.00 179.01 178.56 2c1h h GLU 69 N 0.51 0.98 -0.13 1.92 4.57 -0.63 -2.89 114.58 118.91 2c1h h GLU 69 Ca 0.36 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 2c1h h GLU 69 Cb 0.44 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2c1h h GLU 69 CO -0.31 0.91 -0.34 0.00 -1.18 0.00 0.00 179.01 178.09 2c1h h LYS 71 N 0.23 0.21 -0.62 0.00 1.57 -1.30 -0.73 116.57 115.94 2c1h h LYS 71 Ca 0.03 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2c1h h LYS 71 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2c1h h LYS 71 CO 0.05 0.20 0.20 1.49 -0.57 0.00 0.00 179.45 180.82 2c1h h GLU 72 N 0.16 0.93 0.38 3.15 4.57 -1.20 -2.22 114.58 120.36 2c1h h GLU 72 Ca 0.05 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2c1h h GLU 72 Cb 0.05 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2c1h h GLU 72 CO -0.01 0.80 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.37 2c1h h LEU 73 N 0.91 -0.43 -1.18 1.64 3.38 -0.19 -2.91 115.31 116.52 2c1h h LEU 73 Ca 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2c1h h LEU 73 Cb 0.26 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2c1h h LEU 73 CO -0.01 -0.08 0.26 0.22 0.09 0.00 0.00 178.44 178.91 2c1h h TYR 74 N -0.82 0.83 0.00 1.13 5.03 -1.15 -1.86 116.97 120.12 2c1h h TYR 74 Ca -0.05 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.20 2c1h h TYR 74 Cb 0.53 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 2c1h h TYR 74 CO 0.01 0.62 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.92 2c1h h ASP 75 N 0.83 0.00 0.88 -2.11 3.32 -1.45 -0.06 116.42 117.83 2c1h h ASP 75 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2c1h h ASP 75 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2c1h h ASP 75 CO -0.02 0.12 -0.22 0.18 -1.72 0.00 0.00 179.24 177.59 2c1h n LEU 76 N -3.60 0.31 0.00 1.55 4.77 -0.73 -4.94 117.00 114.35 2c1h n LEU 76 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2c1h n LEU 76 Cb 0.25 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2c1h n LEU 76 CO 0.30 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2c1h n GLY 77 N 1.47 1.16 3.70 -0.72 0.00 -0.03 -4.85 105.19 105.91 2c1h n GLY 77 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2c1h n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c1h s ILE 78 N -2.00 4.77 -0.09 -0.61 1.01 -1.02 -4.61 121.20 118.65 2c1h s ILE 78 Ca 0.00 2.00 0.15 0.00 0.00 0.00 0.00 60.65 62.80 2c1h s ILE 78 Cb 0.00 -4.28 -0.16 0.00 0.01 0.00 0.00 42.46 38.02 2c1h s ILE 78 CO 0.00 0.11 0.79 1.56 0.00 0.00 0.00 174.94 177.40 2c1h h GLN 79 N 6.91 0.00 -4.20 2.79 1.08 -1.81 -3.37 115.11 116.50 2c1h h GLN 79 Ca -0.38 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.58 2c1h h GLN 79 Cb 1.20 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.40 2c1h h GLN 79 CO 0.79 0.37 -0.72 0.20 -0.95 0.00 0.00 178.83 178.51 2c1h s GLY 80 N -4.89 0.30 0.13 3.46 0.00 -1.26 -0.05 107.32 105.01 2c1h s GLY 80 Ca -0.03 -0.52 0.08 0.00 0.00 0.00 0.00 44.72 44.24 2c1h s GLY 80 CO 0.81 -0.56 -0.18 -0.26 0.00 0.00 0.00 173.10 172.91 2c1h s ILE 81 N -1.04 1.64 -0.27 0.90 -4.36 -0.15 -2.48 121.20 115.44 2c1h s ILE 81 Ca -0.09 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2c1h s ILE 81 Cb -0.07 -1.62 0.06 0.00 1.25 0.00 0.00 42.46 42.07 2c1h s ILE 81 CO -0.00 -0.23 -0.07 -0.62 0.24 0.00 0.00 174.94 174.26 2c1h s ASP 82 N -2.27 4.57 -0.07 4.36 2.15 -0.85 -0.27 116.67 124.29 2c1h s ASP 82 Ca 0.10 -1.41 -0.20 0.00 0.43 0.00 0.00 52.55 51.46 2c1h s ASP 82 Cb -0.08 -1.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.91 2c1h s ASP 82 CO 0.05 -0.22 0.56 -0.76 -0.17 0.00 0.00 175.17 174.63 2c1h s LEU 83 N 1.13 4.33 -0.07 -1.34 1.43 0.43 -0.83 118.68 123.75 2c1h s LEU 83 Ca -0.07 1.00 0.05 0.00 -1.03 0.00 0.00 54.13 54.09 2c1h s LEU 83 Cb -0.20 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 2c1h s LEU 83 CO -0.04 0.00 -0.24 -0.36 0.23 0.00 0.00 176.35 175.94 2c1h s PHE 84 N 0.43 2.45 -0.07 0.29 0.08 -0.08 -2.01 117.98 119.08 2c1h s PHE 84 Ca 0.30 -0.83 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 2c1h s PHE 84 Cb -0.17 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2c1h s PHE 84 CO 0.14 -0.29 0.03 0.20 -0.10 0.00 0.00 175.22 175.20 2c1h s GLY 85 N 0.02 1.91 -0.34 4.36 0.00 -1.26 -0.43 107.32 111.58 2c1h s GLY 85 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 2c1h s GLY 85 CO 0.05 -0.61 0.06 -0.42 0.00 0.00 0.00 173.10 172.18 2c1h s ILE 86 N -0.97 2.82 0.36 0.90 1.01 0.12 -4.85 121.20 120.60 2c1h s ILE 86 Ca 0.16 -1.83 -0.21 0.00 0.00 0.00 0.00 60.65 58.77 2c1h s ILE 86 Cb -0.11 -2.82 -0.10 0.00 0.01 0.00 0.00 42.46 39.44 2c1h s ILE 86 CO 0.05 -0.38 0.89 -2.16 0.00 0.00 0.00 174.94 173.34 2c1h s PRO 87 N 1.12 4.29 0.37 2.79 0.04 -1.26 -3.96 135.00 138.40 2c1h s PRO 87 Ca 0.02 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.20 2c1h s PRO 87 Cb -0.21 -2.46 0.73 0.00 0.04 0.00 0.00 34.50 32.61 2c1h s PRO 87 CO -0.04 0.13 1.95 1.05 0.04 0.00 0.00 177.00 180.13 2c1h h GLU 88 N 2.47 0.47 -5.80 4.56 9.09 -1.99 -3.43 114.58 119.94 2c1h h GLU 88 Ca -0.48 -0.07 -0.58 0.00 0.05 0.00 0.00 59.36 58.28 2c1h h GLU 88 Cb 1.18 -0.08 -0.30 0.00 -1.65 0.00 0.00 28.75 27.90 2c1h h GLU 88 CO 0.63 0.44 -0.85 -1.14 0.05 0.00 0.00 179.01 178.15 2c1h s GLN 89 N -5.10 1.60 -0.16 1.06 2.00 -1.26 -5.13 119.66 112.66 2c1h s GLN 89 Ca -0.07 -0.68 -0.01 0.00 -2.00 0.00 0.00 55.36 52.60 2c1h s GLN 89 Cb 0.16 -1.52 -0.01 0.00 0.80 0.00 0.00 33.01 32.44 2c1h s GLN 89 CO 0.75 0.40 -0.12 0.15 -0.50 0.00 0.00 175.29 175.96 2c1h s LYS 90 N -0.40 3.31 0.17 1.67 1.02 -1.26 -4.95 119.74 119.30 2c1h s LYS 90 Ca 0.06 -0.70 0.11 0.00 0.02 0.00 0.00 55.97 55.46 2c1h s LYS 90 Cb -0.08 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2c1h s LYS 90 CO -0.00 0.03 -0.23 0.95 -0.92 0.00 0.00 175.35 175.18 2c1h s THR 91 N 0.81 2.43 0.41 2.17 -4.23 -1.00 -4.67 115.64 111.55 2c1h s THR 91 Ca -0.04 -1.87 0.18 0.00 -1.18 0.00 0.00 61.69 58.78 2c1h s THR 91 Cb -0.15 -2.13 0.19 0.00 1.34 0.00 0.00 72.50 71.75 2c1h s THR 91 CO 0.01 -0.03 1.97 -0.08 -0.54 0.00 0.00 174.62 175.94 2c1h h GLU 92 N 3.45 0.00 -0.00 3.99 4.81 -1.97 -1.12 114.58 123.73 2c1h h GLU 92 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2c1h h GLU 92 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2c1h h GLU 92 CO 0.45 0.22 -0.43 -0.40 -0.73 0.00 0.00 179.01 178.12 2c1h n ASP 93 N -4.04 0.66 -3.40 1.04 5.75 -1.26 -4.74 116.55 110.56 2c1h n ASP 93 Ca -0.02 -0.45 -0.25 0.00 -0.01 0.00 0.00 54.79 54.06 2c1h n ASP 93 Cb 0.29 0.22 0.04 0.00 -1.03 0.00 0.00 41.12 40.64 2c1h n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c1h n GLY 94 N 1.45 -0.52 0.27 6.12 0.00 -0.42 -4.88 105.19 107.21 2c1h n GLY 94 Ca 0.07 0.17 0.17 0.00 0.00 0.00 0.00 46.02 46.43 2c1h n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c1h h SER 95 N -1.78 0.00 0.55 1.61 4.64 -1.88 -2.76 113.55 113.94 2c1h h SER 95 Ca -0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 2c1h h SER 95 Cb 1.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2c1h h SER 95 CO 0.58 0.00 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.41 2c1h h GLU 96 N 0.00 0.00 -0.96 4.77 4.57 -1.91 -2.74 114.58 118.31 2c1h h GLU 96 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2c1h h GLU 96 Cb 0.57 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 2c1h h GLU 96 CO 0.00 0.06 0.63 0.00 -1.18 0.00 0.00 179.01 178.51 2c1h h ALA 97 N 1.94 1.42 -0.49 2.92 0.00 -1.86 -2.49 119.26 120.69 2c1h h ALA 97 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2c1h h ALA 97 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2c1h h ALA 97 CO 0.01 0.46 0.02 2.48 0.00 0.00 0.00 179.25 182.22 2c1h n TYR 98 N -4.47 1.77 -2.40 0.00 0.18 -1.04 -4.75 117.16 106.45 2c1h n TYR 98 Ca 0.14 -0.82 -0.42 0.00 1.88 0.00 0.00 57.90 58.67 2c1h n TYR 98 Cb 0.15 -0.47 -0.03 0.00 -0.38 0.00 0.00 39.34 38.61 2c1h n TYR 98 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2c1h s ASN 99 N -1.17 7.03 0.49 9.48 3.04 -0.94 -4.92 114.94 127.95 2c1h s ASN 99 Ca 0.51 1.99 0.28 0.00 0.04 0.00 0.00 52.86 55.68 2c1h s ASN 99 Cb 0.40 -2.57 1.05 0.00 -1.54 0.00 0.00 41.25 38.58 2c1h s ASN 99 CO 0.13 -0.54 1.87 0.44 -3.04 0.00 0.00 177.10 175.96 2c1h h ASP 100 N 7.12 0.00 -0.54 -4.21 5.19 -1.92 -2.56 116.42 119.49 2c1h h ASP 100 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2c1h h ASP 100 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2c1h h ASP 100 CO 0.84 0.10 0.00 0.59 -3.12 0.00 0.00 179.24 177.65 2c1h n ASN 101 N -3.21 4.46 -4.74 6.45 5.03 -1.26 -4.68 115.26 117.31 2c1h n ASN 101 Ca 0.01 -2.51 -0.35 0.00 0.87 0.00 0.00 54.58 52.60 2c1h n ASN 101 Cb 0.39 -0.53 0.07 0.00 -1.02 0.00 0.00 39.78 38.68 2c1h n ASN 101 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2c1h s GLY 102 N -1.08 2.55 0.25 7.41 0.00 -0.97 -4.77 107.32 110.71 2c1h s GLY 102 Ca 0.46 0.96 -0.04 0.00 0.00 0.00 0.00 44.72 46.10 2c1h s GLY 102 CO 0.20 1.36 1.82 -2.22 0.00 0.00 0.00 173.10 174.26 2c1h h ILE 103 N 0.24 0.92 -0.30 0.90 5.03 -1.92 0.42 117.51 122.81 2c1h h ILE 103 Ca -0.49 -0.29 0.04 0.00 -0.12 0.00 0.00 64.86 64.00 2c1h h ILE 103 Cb 1.30 0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 35.07 2c1h h ILE 103 CO 0.52 0.15 0.07 0.25 -0.68 0.00 0.00 178.15 178.47 2c1h h LEU 104 N 0.83 0.04 -0.85 1.44 7.12 -1.92 0.38 115.31 122.36 2c1h h LEU 104 Ca 0.41 0.04 -0.06 0.00 0.13 0.00 0.00 57.88 58.40 2c1h h LEU 104 Cb 0.36 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 2c1h h LEU 104 CO -0.24 0.06 0.18 1.56 -0.13 0.00 0.00 178.44 179.86 2c1h h GLN 105 N 0.19 1.03 -0.60 1.25 7.50 -1.55 -1.22 115.11 121.72 2c1h h GLN 105 Ca 0.14 -0.22 -0.07 0.00 0.50 0.00 0.00 58.65 59.00 2c1h h GLN 105 Cb 0.14 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 2c1h h GLN 105 CO -0.17 0.90 0.12 1.96 -1.50 0.00 0.00 178.83 180.14 2c1h h GLN 106 N 0.99 0.97 -0.41 1.46 4.20 -0.62 -2.06 115.11 119.64 2c1h h GLN 106 Ca 0.21 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2c1h h GLN 106 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2c1h h GLN 106 CO -0.00 0.91 0.14 0.00 -0.67 0.00 0.00 178.83 179.20 2c1h h ALA 107 N 1.02 0.53 -0.08 3.87 0.00 -0.61 -0.79 119.26 123.21 2c1h h ALA 107 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2c1h h ALA 107 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2c1h h ALA 107 CO 0.01 0.17 -0.13 0.82 0.00 0.00 0.00 179.25 180.12 2c1h h ILE 108 N 0.52 0.65 -0.27 0.00 2.04 -1.15 -0.08 117.51 119.23 2c1h h ILE 108 Ca 0.13 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 2c1h h ILE 108 Cb 0.24 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2c1h h ILE 108 CO -0.01 0.00 -0.19 -0.09 0.00 0.00 0.00 178.15 177.86 2c1h h ARG 109 N -0.18 0.49 -0.01 2.37 2.43 -1.27 -0.56 114.38 117.65 2c1h h ARG 109 Ca 0.07 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2c1h h ARG 109 Cb 0.28 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2c1h h ARG 109 CO -0.19 0.66 -0.34 0.00 -1.51 0.00 0.00 179.97 178.60 2c1h h ALA 110 N 1.35 0.05 -0.49 2.80 0.00 -0.95 -3.06 119.26 118.96 2c1h h ALA 110 Ca 0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2c1h h ALA 110 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2c1h h ALA 110 CO 0.04 0.15 0.22 0.82 0.00 0.00 0.00 179.25 180.49 2c1h h ILE 111 N -0.37 1.20 -0.24 0.00 2.04 -0.90 -2.51 117.51 116.72 2c1h h ILE 111 Ca -0.04 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2c1h h ILE 111 Cb 1.07 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2c1h h ILE 111 CO 0.07 0.23 0.05 0.50 0.00 0.00 0.00 178.15 178.99 2c1h h LYS 112 N 0.65 0.35 -0.02 2.37 1.63 -1.21 0.77 116.57 121.10 2c1h h LYS 112 Ca 0.17 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2c1h h LYS 112 Cb 0.15 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2c1h h LYS 112 CO -0.02 0.33 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.08 2c1h h LYS 113 N 0.34 0.04 0.18 1.90 3.64 -1.40 -3.23 116.57 118.03 2c1h h LYS 113 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2c1h h LYS 113 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2c1h h LYS 113 CO -0.00 0.50 -0.08 0.00 -2.27 0.00 0.00 179.45 177.59 2c1h h ALA 114 N 0.54 -0.24 -3.10 5.00 0.00 -1.08 -3.39 119.26 116.99 2c1h h ALA 114 Ca 0.00 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.05 2c1h h ALA 114 Cb 0.49 0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.97 2c1h h ALA 114 CO 0.00 -0.34 -0.51 0.08 0.00 0.00 0.00 179.25 178.49 2c1h s VAL 115 N -3.66 3.08 0.08 0.00 1.01 0.23 -4.95 120.40 116.19 2c1h s VAL 115 Ca -0.13 -4.04 0.30 0.00 0.00 0.00 0.00 61.98 58.11 2c1h s VAL 115 Cb 0.01 -3.02 0.34 0.00 0.00 0.00 0.00 36.38 33.71 2c1h s VAL 115 CO 0.50 -0.98 1.92 -0.65 0.00 0.00 0.00 175.10 175.89 2c1h h PRO 116 N 5.70 0.00 -0.25 2.72 0.11 -1.75 -3.11 132.00 135.42 2c1h h PRO 116 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2c1h h PRO 116 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2c1h h PRO 116 CO 0.73 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 2c1h n GLU 117 N -3.19 1.64 -4.21 1.05 4.71 -1.26 -4.82 120.64 114.56 2c1h n GLU 117 Ca 0.01 -0.99 -0.35 0.00 -0.01 0.00 0.00 57.16 55.81 2c1h n GLU 117 Cb 0.35 -1.25 -0.08 0.00 -1.01 0.00 0.00 31.44 29.45 2c1h n GLU 117 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2c1h s LEU 118 N -1.12 3.82 -0.35 -4.62 0.20 -1.17 -5.01 118.68 110.42 2c1h s LEU 118 Ca 0.22 0.22 -0.25 0.00 0.69 0.00 0.00 54.13 55.01 2c1h s LEU 118 Cb 0.11 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2c1h s LEU 118 CO 0.16 0.37 0.85 0.00 -0.29 0.00 0.00 176.35 177.44 2c1h s ILE 120 N 3.23 4.87 -0.15 0.00 1.01 -1.26 -0.98 121.20 127.91 2c1h s ILE 120 Ca 0.35 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 2c1h s ILE 120 Cb -0.13 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2c1h s ILE 120 CO 0.16 -0.51 0.11 -0.04 0.00 0.00 0.00 174.94 174.66 2c1h s MET 121 N 2.73 3.74 -0.10 2.79 -1.94 0.63 -1.17 119.30 125.99 2c1h s MET 121 Ca 0.22 -0.22 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 2c1h s MET 121 Cb -0.14 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.47 2c1h s MET 121 CO 0.18 0.53 -0.24 0.95 -0.01 0.00 0.00 175.02 176.42 2c1h s THR 122 N -0.31 2.04 0.11 2.05 -4.23 -0.31 -0.43 115.64 114.55 2c1h s THR 122 Ca 0.10 -1.01 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 2c1h s THR 122 Cb -0.12 -1.76 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 2c1h s THR 122 CO 0.01 0.56 1.51 -0.62 -0.54 0.00 0.00 174.62 175.54 2c1h s ASP 123 N 0.34 6.70 -0.55 3.99 2.15 -0.85 0.20 116.67 128.64 2c1h s ASP 123 Ca -0.19 2.44 -0.01 0.00 0.43 0.00 0.00 52.55 55.22 2c1h s ASP 123 Cb -0.18 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.00 2c1h s ASP 123 CO 0.09 -0.77 0.34 -0.69 -0.17 0.00 0.00 175.17 173.97 2c1h s VAL 124 N 1.59 3.30 0.05 1.11 1.01 -0.89 -4.89 120.40 121.68 2c1h s VAL 124 Ca 0.68 -2.89 -0.22 0.00 0.00 0.00 0.00 61.98 59.56 2c1h s VAL 124 Cb -0.39 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2c1h s VAL 124 CO 0.31 -0.82 0.50 0.00 0.00 0.00 0.00 175.10 175.09 2c1h s ALA 125 N 0.10 -1.27 -1.21 5.51 0.00 -1.26 -2.45 121.76 121.18 2c1h s ALA 125 Ca 0.15 0.54 0.17 0.00 0.00 0.00 0.00 51.96 52.83 2c1h s ALA 125 Cb -0.22 0.37 0.66 0.00 0.00 0.00 0.00 23.12 23.94 2c1h s ALA 125 CO -0.03 -0.50 1.55 1.28 0.00 0.00 0.00 175.76 178.07 2c1h n LEU 126 N 0.43 4.37 0.21 0.00 4.77 -1.01 -4.68 117.00 121.10 2c1h n LEU 126 Ca -0.18 -2.21 -0.15 0.00 -0.03 0.00 0.00 56.01 53.44 2c1h n LEU 126 Cb 0.60 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2c1h n LEU 126 CO 0.19 0.75 0.67 -0.78 -1.33 0.00 0.00 177.39 176.90 2c1h h ASP 127 N 3.76 -0.43 -0.02 -1.43 3.58 -1.73 -2.99 116.42 117.15 2c1h h ASP 127 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2c1h h ASP 127 Cb 1.34 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2c1h h ASP 127 CO 0.21 -0.22 0.00 -0.81 -2.88 0.00 0.00 179.24 175.54 2c1h n PRO 128 N -5.26 1.41 0.00 0.28 -0.04 -1.26 -3.84 135.00 126.28 2c1h n PRO 128 Ca -0.11 -0.59 0.10 0.00 -0.04 0.00 0.00 63.50 62.87 2c1h n PRO 128 Cb 0.25 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 2c1h n PRO 128 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2c1h n PHE 129 N -0.27 0.01 -4.87 0.54 3.72 -1.14 -4.53 117.46 110.91 2c1h n PHE 129 Ca 0.20 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.32 2c1h n PHE 129 Cb 0.26 -0.07 -0.15 0.00 -0.94 0.00 0.00 39.48 38.57 2c1h n PHE 129 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2c1h s THR 130 N -3.03 1.91 0.44 4.37 -4.23 -1.15 -2.39 115.64 111.57 2c1h s THR 130 Ca 0.08 -1.23 0.26 0.00 -1.18 0.00 0.00 61.69 59.62 2c1h s THR 130 Cb 0.16 -1.63 0.29 0.00 1.34 0.00 0.00 72.50 72.66 2c1h s THR 130 CO 0.84 0.35 2.09 1.55 -0.54 0.00 0.00 174.62 178.91 2c1h h PRO 131 N 4.99 0.00 0.00 3.99 0.13 -1.83 -2.89 132.00 136.39 2c1h h PRO 131 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2c1h h PRO 131 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2c1h h PRO 131 CO 0.45 0.11 0.00 1.19 -0.23 0.00 0.00 178.00 179.52 2c1h n PHE 132 N -3.75 0.55 -1.21 1.56 3.01 -1.26 -4.29 117.46 112.08 2c1h n PHE 132 Ca -0.02 0.19 -0.07 0.00 1.01 0.00 0.00 57.45 58.55 2c1h n PHE 132 Cb 0.22 -0.80 -0.03 0.00 -0.01 0.00 0.00 39.48 38.85 2c1h n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c1h n GLY 133 N 0.74 0.94 3.92 1.37 0.00 -1.09 -4.02 105.19 107.04 2c1h n GLY 133 Ca 0.04 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2c1h n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c1h s HIS 134 N -2.22 2.98 -0.20 1.61 3.76 -1.26 -4.63 115.29 115.33 2c1h s HIS 134 Ca 0.00 -0.28 0.28 0.00 -0.15 0.00 0.00 55.06 54.91 2c1h s HIS 134 Cb 0.00 -1.93 0.90 0.00 1.11 0.00 0.00 32.58 32.66 2c1h s HIS 134 CO 0.00 0.06 1.81 -0.44 -0.85 0.00 0.00 174.74 175.31 2c1h h ASP 135 N 1.06 0.00 -4.24 1.40 5.19 -1.88 -3.05 116.42 114.90 2c1h h ASP 135 Ca -0.45 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.55 2c1h h ASP 135 Cb 1.26 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.68 2c1h h ASP 135 CO 0.55 0.00 -0.33 0.61 -3.12 0.00 0.00 179.24 176.96 2c1h n GLY 136 N 0.53 3.59 3.74 2.75 0.00 -1.26 -2.41 105.19 112.13 2c1h n GLY 136 Ca 0.02 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2c1h n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1h s LEU 137 N 0.00 4.54 -0.00 0.99 1.43 -1.26 -4.85 118.68 119.53 2c1h s LEU 137 Ca 0.10 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 2c1h s LEU 137 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2c1h s LEU 137 CO 0.07 0.01 0.12 -0.69 0.23 0.00 0.00 176.35 176.09 2c1h s VAL 138 N -0.36 4.98 0.00 -1.59 1.01 -1.26 0.02 120.40 123.20 2c1h s VAL 138 Ca 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2c1h s VAL 138 Cb -0.24 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2c1h s VAL 138 CO 0.30 0.33 0.00 1.17 0.00 0.00 0.00 175.10 176.89 2c1h n LYS 139 N 1.04 0.00 -1.93 2.72 0.00 -0.89 -4.93 118.16 114.17 2c1h n LYS 139 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.83 2c1h n LYS 139 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.59 2c1h n LYS 139 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2c1h n ASP 140 N 0.00 6.89 0.00 3.14 10.43 -1.26 -4.71 116.55 131.03 2c1h n ASP 140 Ca 0.00 -3.80 0.00 0.00 2.57 0.00 0.00 54.79 53.56 2c1h n ASP 140 Cb 0.00 -0.90 0.00 0.00 1.84 0.00 0.00 41.12 42.06 2c1h n ASP 140 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c1h n GLY 141 N -0.60 0.96 3.61 0.44 0.00 -1.26 -5.03 105.19 103.30 2c1h n GLY 141 Ca 0.52 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 2c1h n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c1h s ILE 142 N -3.13 5.09 -0.44 -0.61 -1.09 -1.26 -5.06 121.20 114.70 2c1h s ILE 142 Ca 0.00 0.08 -0.29 0.00 -2.23 0.00 0.00 60.65 58.22 2c1h s ILE 142 Cb 0.00 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2c1h s ILE 142 CO 0.00 0.35 1.12 -0.63 -1.23 0.00 0.00 174.94 174.55 2c1h s ILE 143 N 1.10 4.29 0.42 2.92 1.09 -1.26 -2.10 121.20 127.66 2c1h s ILE 143 Ca 0.06 1.33 -0.23 0.00 -1.10 0.00 0.00 60.65 60.72 2c1h s ILE 143 Cb -0.14 -4.55 -0.09 0.00 -1.06 0.00 0.00 42.46 36.62 2c1h s ILE 143 CO 0.04 -0.88 1.02 -0.76 -0.10 0.00 0.00 174.94 174.27 2c1h s LEU 144 N 4.24 4.05 0.00 2.97 1.43 0.10 -4.94 118.68 126.54 2c1h s LEU 144 Ca 0.47 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2c1h s LEU 144 Cb -0.08 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2c1h s LEU 144 CO 0.28 -0.52 0.00 -3.20 0.23 0.00 0.00 176.35 173.14 2c1h n ASN 145 N -0.33 0.00 0.03 2.29 5.15 -1.26 -4.04 115.26 117.10 2c1h n ASN 145 Ca 0.06 0.21 -0.03 0.00 -0.60 0.00 0.00 54.58 54.22 2c1h n ASN 145 Cb 0.51 -0.49 0.21 0.00 -0.53 0.00 0.00 39.78 39.48 2c1h n ASN 145 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2c1h h ASP 146 N 0.00 0.44 -0.08 1.20 5.19 -1.95 -1.77 116.42 119.45 2c1h h ASP 146 Ca 0.00 -0.15 -0.06 0.00 -0.62 0.00 0.00 57.03 56.19 2c1h h ASP 146 Cb 0.00 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 2c1h h ASP 146 CO 0.00 0.70 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.36 2c1h h GLU 147 N 0.39 0.41 0.11 3.56 3.07 -1.99 -2.56 114.58 117.56 2c1h h GLU 147 Ca 0.06 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2c1h h GLU 147 Cb 0.67 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2c1h h GLU 147 CO 0.05 0.54 -0.05 1.15 -1.40 0.00 0.00 179.01 179.30 2c1h h THR 148 N 0.38 1.10 -0.77 1.13 2.02 -1.53 -3.23 112.91 112.01 2c1h h THR 148 Ca 0.07 -1.01 0.12 0.00 0.77 0.00 0.00 66.41 66.36 2c1h h THR 148 Cb 0.46 1.72 -0.08 0.00 -1.74 0.00 0.00 68.15 68.51 2c1h h THR 148 CO 0.03 0.23 0.39 0.58 0.37 0.00 0.00 175.52 177.12 2c1h h VAL 149 N -0.63 0.79 -0.39 3.16 2.07 -1.26 0.87 116.25 120.86 2c1h h VAL 149 Ca -0.01 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2c1h h VAL 149 Cb 0.50 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2c1h h VAL 149 CO 0.02 0.11 0.27 -0.33 0.02 0.00 0.00 177.57 177.66 2c1h h GLU 150 N 0.61 0.24 0.03 1.57 5.08 -1.54 0.46 114.58 121.03 2c1h h GLU 150 Ca 0.40 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.48 2c1h h GLU 150 Cb 0.49 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.70 2c1h h GLU 150 CO -0.31 0.16 -1.07 0.28 -1.00 0.00 0.00 179.01 177.07 2c1h h VAL 151 N 0.25 1.33 -0.60 3.13 2.07 -0.94 -3.27 116.25 118.21 2c1h h VAL 151 Ca 0.18 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.21 2c1h h VAL 151 Cb 0.38 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2c1h h VAL 151 CO -0.03 0.73 0.05 -0.07 0.02 0.00 0.00 177.57 178.26 2c1h h LEU 152 N 0.30 0.98 -0.24 2.57 4.07 0.71 -1.84 115.31 121.87 2c1h h LEU 152 Ca -0.13 -0.25 0.06 0.00 0.08 0.00 0.00 57.88 57.64 2c1h h LEU 152 Cb 1.72 -0.26 -0.07 0.00 1.08 0.00 0.00 40.66 43.13 2c1h h LEU 152 CO 0.20 1.01 -0.27 1.56 -1.08 0.00 0.00 178.44 179.86 2c1h h GLN 153 N 0.94 -0.27 -0.62 1.13 4.20 -0.27 0.04 115.11 120.26 2c1h h GLN 153 Ca 0.18 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2c1h h GLN 153 Cb 0.48 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2c1h h GLN 153 CO 0.02 -0.18 0.30 0.87 -0.67 0.00 0.00 178.83 179.17 2c1h h LYS 154 N -0.28 0.88 -0.10 1.46 1.57 -1.57 -1.70 116.57 116.83 2c1h h LYS 154 Ca 0.13 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2c1h h LYS 154 Cb 0.49 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2c1h h LYS 154 CO -0.40 0.68 0.05 1.98 -0.57 0.00 0.00 179.45 181.19 2c1h h MET 155 N 0.88 0.15 -0.64 3.15 4.05 -0.64 0.60 114.93 122.47 2c1h h MET 155 Ca 0.22 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.58 2c1h h MET 155 Cb 0.09 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 2c1h h MET 155 CO -0.03 0.22 0.26 0.00 0.23 0.00 0.00 176.91 177.59 2c1h h ALA 156 N 0.92 0.83 -0.63 0.39 0.00 -0.80 -1.74 119.26 118.23 2c1h h ALA 156 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2c1h h ALA 156 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2c1h h ALA 156 CO -0.00 0.44 0.40 0.28 0.00 0.00 0.00 179.25 180.37 2c1h h VAL 157 N 0.90 1.17 -0.68 0.00 2.07 -1.23 -2.10 116.25 116.39 2c1h h VAL 157 Ca 0.21 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.48 2c1h h VAL 157 Cb 0.20 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2c1h h VAL 157 CO -0.02 0.17 0.31 -1.28 0.02 0.00 0.00 177.57 176.77 2c1h h SER 158 N 0.85 0.37 -0.23 0.57 0.87 -0.22 -0.68 113.55 115.07 2c1h h SER 158 Ca 0.23 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 2c1h h SER 158 Cb -0.06 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2c1h h SER 158 CO -0.05 0.21 0.01 0.45 -0.53 0.00 0.00 176.83 176.92 2c1h h HIS 159 N 0.52 0.43 -0.94 2.24 3.86 -1.03 -2.19 115.15 118.05 2c1h h HIS 159 Ca 0.34 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.56 2c1h h HIS 159 Cb 0.39 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.68 2c1h h HIS 159 CO -0.13 0.57 0.60 0.00 0.86 0.00 0.00 177.93 179.83 2c1h h ALA 160 N 0.81 1.55 -0.21 2.45 0.00 -1.07 -1.11 119.26 121.67 2c1h h ALA 160 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2c1h h ALA 160 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2c1h h ALA 160 CO 0.01 0.28 -0.23 1.49 0.00 0.00 0.00 179.25 180.80 2c1h h GLU 161 N 0.99 0.39 0.00 0.00 4.57 -0.90 -2.61 114.58 117.02 2c1h h GLU 161 Ca 0.43 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.40 2c1h h GLU 161 Cb 0.33 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2c1h h GLU 161 CO -0.18 0.60 -0.37 0.00 -1.18 0.00 0.00 179.01 177.88 2c1h h ALA 162 N 1.41 0.87 0.00 2.92 0.00 -0.60 -3.47 119.26 120.39 2c1h h ALA 162 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2c1h h ALA 162 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2c1h h ALA 162 CO 0.04 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2c1h n GLY 163 N 0.64 0.74 3.71 0.00 0.00 -0.61 -3.88 105.19 105.78 2c1h n GLY 163 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2c1h n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1h n ALA 164 N 0.00 1.20 -0.07 4.61 0.00 -0.65 -4.94 120.51 120.65 2c1h n ALA 164 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 2c1h n ALA 164 Cb 0.00 -2.28 -0.12 0.00 0.00 0.00 0.00 19.45 17.05 2c1h n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2c1h n ASP 165 N -0.69 1.97 -4.24 0.00 8.00 -0.31 -4.67 116.55 116.60 2c1h n ASP 165 Ca 0.10 0.31 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 2c1h n ASP 165 Cb 0.44 -0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 40.53 2c1h n ASP 165 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2c1h s PHE 166 N -2.45 1.53 -0.10 1.24 0.08 -0.42 -2.27 117.98 115.60 2c1h s PHE 166 Ca -0.28 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.33 2c1h s PHE 166 Cb 0.07 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 2c1h s PHE 166 CO 0.64 0.16 -0.17 0.14 -0.10 0.00 0.00 175.22 175.89 2c1h s VAL 167 N -1.47 2.73 -0.62 -0.44 -7.23 -0.72 -1.16 120.40 111.50 2c1h s VAL 167 Ca 0.05 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2c1h s VAL 167 Cb -0.09 -2.10 0.15 0.00 0.56 0.00 0.00 36.38 34.91 2c1h s VAL 167 CO 0.04 0.55 0.40 -0.94 -0.31 0.00 0.00 175.10 174.84 2c1h s SER 168 N 0.03 4.86 -0.29 4.85 1.04 0.13 -0.76 113.70 123.56 2c1h s SER 168 Ca -0.06 -3.13 -0.29 0.00 0.48 0.00 0.00 55.95 52.95 2c1h s SER 168 Cb -0.15 -1.74 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 2c1h s SER 168 CO 0.05 -0.26 1.58 -2.84 0.98 0.00 0.00 173.24 172.75 2c1h s PRO 169 N -0.46 3.66 -0.04 4.02 0.02 -1.24 -2.08 135.00 138.88 2c1h s PRO 169 Ca 0.19 1.42 0.20 0.00 0.02 0.00 0.00 61.00 62.83 2c1h s PRO 169 Cb -0.20 -4.05 0.64 0.00 0.02 0.00 0.00 34.50 30.91 2c1h s PRO 169 CO -0.04 -1.46 1.54 -1.13 -0.33 0.00 0.00 177.00 175.58 2c1h n SER 170 N 8.84 4.12 -0.03 2.53 3.41 -1.03 -2.70 113.62 128.76 2c1h n SER 170 Ca 0.19 -2.16 -0.08 0.00 -0.26 0.00 0.00 58.87 56.57 2c1h n SER 170 Cb 0.46 -0.50 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2c1h n SER 170 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2c1h h ASP 171 N 3.98 0.67 -5.76 4.04 2.03 -1.91 -3.48 116.42 115.99 2c1h h ASP 171 Ca 0.00 -0.28 -0.35 0.00 -0.73 0.00 0.00 57.03 55.67 2c1h h ASP 171 Cb 1.12 -0.19 0.14 0.00 -0.83 0.00 0.00 39.33 39.57 2c1h h ASP 171 CO 0.08 0.96 -0.78 0.23 -1.03 0.00 0.00 179.24 178.69 2c1h n MET 172 N -4.06 -6.22 -3.91 4.15 2.81 -1.26 -4.85 117.12 103.78 2c1h n MET 172 Ca -0.01 0.79 -0.30 0.00 -1.81 0.00 0.00 57.70 56.37 2c1h n MET 172 Cb 0.49 -5.70 -0.04 0.00 -0.71 0.00 0.00 33.22 27.26 2c1h n MET 172 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2c1h s MET 173 N -5.53 3.45 0.34 0.03 -1.94 -1.26 -4.67 119.30 109.72 2c1h s MET 173 Ca 0.01 -0.45 -0.28 0.00 -1.71 0.00 0.00 55.69 53.26 2c1h s MET 173 Cb -0.01 -3.01 -0.10 0.00 2.01 0.00 0.00 34.83 33.73 2c1h s MET 173 CO 0.75 0.58 1.29 -0.51 -0.01 0.00 0.00 175.02 177.12 2c1h s ASP 174 N -2.68 6.71 -1.53 3.03 1.01 -1.26 -3.59 116.67 118.36 2c1h s ASP 174 Ca 0.35 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.26 2c1h s ASP 174 Cb -0.12 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2c1h s ASP 174 CO 0.28 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 175.70 2c1h n GLY 175 N 0.79 0.65 0.22 0.21 0.00 -1.26 -4.85 105.19 100.94 2c1h n GLY 175 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2c1h n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c1h h ARG 176 N 0.00 0.72 -0.23 1.61 -0.00 -1.99 -3.20 114.38 111.29 2c1h h ARG 176 Ca -0.34 -0.55 -0.01 0.00 -0.00 0.00 0.00 59.98 59.09 2c1h h ARG 176 Cb 1.13 0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 31.19 2c1h h ARG 176 CO 0.46 1.16 0.11 0.82 -0.00 0.00 0.00 179.97 182.52 2c1h h ILE 177 N 0.51 1.13 -0.41 0.08 1.08 -1.89 0.65 117.51 118.66 2c1h h ILE 177 Ca -0.03 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2c1h h ILE 177 Cb 1.31 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 2c1h h ILE 177 CO 0.14 0.13 0.26 1.23 -0.69 0.00 0.00 178.15 179.22 2c1h h GLY 178 N 0.24 0.58 1.14 5.37 0.00 -1.75 0.13 103.07 108.78 2c1h h GLY 178 Ca 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2c1h h GLY 178 CO -0.01 0.19 0.23 0.00 0.00 0.00 0.00 176.54 176.95 2c1h h ALA 179 N 1.17 1.07 -0.42 3.60 0.00 -1.51 0.48 119.26 123.65 2c1h h ALA 179 Ca 0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2c1h h ALA 179 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2c1h h ALA 179 CO -0.05 0.64 -0.05 0.82 0.00 0.00 0.00 179.25 180.60 2c1h h ILE 180 N 1.05 1.27 -0.29 0.00 2.04 -0.47 0.18 117.51 121.29 2c1h h ILE 180 Ca 0.23 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 65.02 2c1h h ILE 180 Cb 0.28 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2c1h h ILE 180 CO -0.01 0.38 0.03 -0.09 0.00 0.00 0.00 178.15 178.46 2c1h h ARG 181 N 0.61 0.13 -0.21 2.37 9.65 -0.55 0.32 114.38 126.69 2c1h h ARG 181 Ca 0.11 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2c1h h ARG 181 Cb 0.56 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2c1h h ARG 181 CO 0.03 0.08 0.05 1.49 2.80 0.00 0.00 179.97 184.42 2c1h h GLU 182 N 0.13 0.13 -0.65 0.20 4.81 -0.66 -0.19 114.58 118.36 2c1h h GLU 182 Ca 0.14 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2c1h h GLU 182 Cb 0.16 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2c1h h GLU 182 CO -0.20 0.09 0.20 0.00 -0.73 0.00 0.00 179.01 178.36 2c1h h ALA 183 N 1.15 1.12 -0.30 2.92 0.00 -0.29 -1.61 119.26 122.26 2c1h h ALA 183 Ca 0.10 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2c1h h ALA 183 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2c1h h ALA 183 CO -0.12 0.60 -0.42 -0.07 0.00 0.00 0.00 179.25 179.24 2c1h h LEU 184 N 0.96 0.89 -0.81 0.00 3.38 -0.20 -3.11 115.31 116.42 2c1h h LEU 184 Ca 0.21 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2c1h h LEU 184 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2c1h h LEU 184 CO -0.01 1.22 0.28 0.44 0.09 0.00 0.00 178.44 180.46 2c1h h ASP 185 N 0.59 1.08 -0.40 -0.43 3.32 -0.85 -0.42 116.42 119.30 2c1h h ASP 185 Ca 0.03 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 2c1h h ASP 185 Cb 1.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2c1h h ASP 185 CO 0.10 0.97 0.20 -0.33 -1.72 0.00 0.00 179.24 178.46 2c1h h GLU 186 N 1.13 0.62 -1.00 3.56 5.08 -1.32 -3.09 114.58 119.56 2c1h h GLU 186 Ca 0.25 -0.07 -0.50 0.00 -1.00 0.00 0.00 59.36 58.04 2c1h h GLU 186 Cb 0.25 -0.12 -0.30 0.00 0.50 0.00 0.00 28.75 29.09 2c1h h GLU 186 CO -0.02 0.50 0.64 0.25 -1.00 0.00 0.00 179.01 179.38 2c1h n THR 187 N -4.38 3.12 -2.33 1.13 -2.24 -1.12 -4.89 114.28 103.57 2c1h n THR 187 Ca 0.03 -1.86 -0.20 0.00 -2.27 0.00 0.00 64.05 59.75 2c1h n THR 187 Cb 0.13 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 2c1h n THR 187 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c1h n ASP 188 N -1.07 -5.77 -1.22 3.42 8.00 -1.17 -4.92 116.55 113.83 2c1h n ASP 188 Ca 0.57 0.02 -0.07 0.00 0.71 0.00 0.00 54.79 56.02 2c1h n ASP 188 Cb 1.60 -4.81 0.15 0.00 -0.02 0.00 0.00 41.12 38.03 2c1h n ASP 188 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2c1h n HIS 189 N -3.90 1.18 0.23 1.24 8.25 -0.18 -4.76 115.22 117.27 2c1h n HIS 189 Ca -0.24 -1.80 0.02 0.00 -0.26 0.00 0.00 57.72 55.44 2c1h n HIS 189 Cb 0.68 -0.38 0.12 0.00 1.12 0.00 0.00 29.99 31.53 2c1h n HIS 189 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2c1h n SER 190 N -0.99 0.00 -0.66 0.41 3.41 -1.24 -1.18 113.62 113.37 2c1h n SER 190 Ca 0.31 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 2c1h n SER 190 Cb 0.85 -0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 2c1h n SER 190 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2c1h n ASP 191 N -1.31 2.35 -4.68 4.04 3.85 -1.26 -4.87 116.55 114.68 2c1h n ASP 191 Ca 0.02 -1.68 -0.39 0.00 -0.71 0.00 0.00 54.79 52.03 2c1h n ASP 191 Cb 0.04 0.28 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 2c1h n ASP 191 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2c1h s VAL 192 N -2.29 5.12 0.81 2.12 1.01 -0.32 -5.02 120.40 121.83 2c1h s VAL 192 Ca 0.22 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 2c1h s VAL 192 Cb 0.19 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.83 2c1h s VAL 192 CO 0.47 0.21 1.16 -0.83 0.00 0.00 0.00 175.10 176.11 2c1h s GLY 193 N 1.02 1.66 -0.15 4.51 0.00 -0.96 -4.93 107.32 108.46 2c1h s GLY 193 Ca 0.25 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 2c1h s GLY 193 CO 0.10 -0.34 -0.05 -0.42 0.00 0.00 0.00 173.10 172.39 2c1h s ILE 194 N -3.54 1.04 -0.66 0.90 1.01 -1.26 -1.75 121.20 116.95 2c1h s ILE 194 Ca 0.64 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 2c1h s ILE 194 Cb -0.09 -1.20 0.15 0.00 0.01 0.00 0.00 42.46 41.33 2c1h s ILE 194 CO 0.48 0.18 0.65 -0.22 0.00 0.00 0.00 174.94 176.03 2c1h s LEU 195 N 1.67 6.18 0.10 2.97 0.20 0.06 -2.29 118.68 127.57 2c1h s LEU 195 Ca 0.02 -2.03 -0.30 0.00 0.69 0.00 0.00 54.13 52.51 2c1h s LEU 195 Cb -0.15 -2.24 -0.06 0.00 -0.43 0.00 0.00 46.19 43.32 2c1h s LEU 195 CO -0.08 -0.82 1.13 -0.55 -0.29 0.00 0.00 176.35 175.74 2c1h s SER 196 N 3.15 7.19 -1.28 3.68 0.15 -0.40 -3.59 113.70 122.60 2c1h s SER 196 Ca 0.11 2.00 -0.19 0.00 0.70 0.00 0.00 55.95 58.57 2c1h s SER 196 Cb -0.21 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.53 2c1h s SER 196 CO -0.01 -0.35 1.85 -1.22 1.20 0.00 0.00 173.24 174.71 2c1h n TYR 197 N 3.33 4.04 -0.04 3.44 4.02 -1.10 0.28 117.16 131.12 2c1h n TYR 197 Ca 0.06 -2.55 -0.14 0.00 -0.01 0.00 0.00 57.90 55.26 2c1h n TYR 197 Cb 0.47 -2.59 -0.08 0.00 -0.02 0.00 0.00 39.34 37.12 2c1h n TYR 197 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2c1h h ALA 198 N 7.80 0.18 -2.19 -0.72 0.00 -1.78 -3.36 119.26 119.20 2c1h h ALA 198 Ca 0.42 -0.41 -0.60 0.00 0.00 0.00 0.00 54.91 54.32 2c1h h ALA 198 Cb 0.85 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.19 2c1h h ALA 198 CO 1.49 0.19 -0.61 0.00 0.00 0.00 0.00 179.25 180.32 2c1h n ALA 199 N -2.48 4.03 -2.69 0.00 0.00 -0.98 -4.52 120.51 113.87 2c1h n ALA 199 Ca -0.07 -4.74 -0.39 0.00 0.00 0.00 0.00 53.44 48.25 2c1h n ALA 199 Cb 0.46 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 2c1h n ALA 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2c1h s LYS 200 N -2.45 4.25 0.09 0.00 2.20 -1.26 -2.46 119.74 120.12 2c1h s LYS 200 Ca 0.40 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 2c1h s LYS 200 Cb 0.15 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2c1h s LYS 200 CO -0.01 -0.01 0.23 0.71 -0.36 0.00 0.00 175.35 175.90 2c1h s TYR 201 N 1.19 3.50 -1.18 4.03 1.51 -0.03 -1.17 117.35 125.20 2c1h s TYR 201 Ca 0.24 0.20 -0.21 0.00 -1.01 0.00 0.00 57.07 56.29 2c1h s TYR 201 Cb -0.15 -1.72 -0.00 0.00 -0.11 0.00 0.00 41.96 39.98 2c1h s TYR 201 CO 0.10 0.56 1.79 0.00 -1.11 0.00 0.00 175.55 176.89 2c1h s ALA 202 N -1.59 2.52 0.21 3.71 0.00 0.27 -4.64 121.76 122.24 2c1h s ALA 202 Ca 0.35 -2.40 0.05 0.00 0.00 0.00 0.00 51.96 49.96 2c1h s ALA 202 Cb -0.12 -4.63 -0.04 0.00 0.00 0.00 0.00 23.12 18.33 2c1h s ALA 202 CO 0.28 -4.18 0.22 0.45 0.00 0.00 0.00 175.76 172.52 2c1h s SER 203 N 5.55 5.76 -0.09 0.00 0.15 -1.26 -4.67 113.70 119.13 2c1h s SER 203 Ca 0.60 -0.10 0.19 0.00 0.70 0.00 0.00 55.95 57.33 2c1h s SER 203 Cb 0.01 -1.56 0.70 0.00 -1.71 0.00 0.00 66.02 63.46 2c1h s SER 203 CO 0.06 0.00 1.61 -1.54 1.20 0.00 0.00 173.24 174.57 2c1h n SER 204 N -0.87 4.59 -0.30 5.45 3.41 -1.26 -4.35 113.62 120.29 2c1h n SER 204 Ca -0.08 -2.37 0.13 0.00 -0.26 0.00 0.00 58.87 56.29 2c1h n SER 204 Cb 0.56 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 64.30 2c1h n SER 204 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2c1h n PHE 205 N 1.19 0.00 0.72 7.33 3.01 -1.26 -4.28 117.46 124.17 2c1h n PHE 205 Ca 0.25 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.77 2c1h n PHE 205 Cb 0.84 -0.10 0.17 0.00 -0.01 0.00 0.00 39.48 40.38 2c1h n PHE 205 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2c1h n TYR 206 N -0.48 0.56 0.03 1.38 4.01 -1.26 -0.93 117.16 120.46 2c1h n TYR 206 Ca 0.12 -0.26 -0.07 0.00 -0.16 0.00 0.00 57.90 57.53 2c1h n TYR 206 Cb 0.36 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 2c1h n TYR 206 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2c1h h GLY 207 N 5.11 -1.26 1.74 2.72 0.00 -1.92 -2.47 103.07 106.98 2c1h h GLY 207 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 47.33 47.97 2c1h h GLY 207 CO 0.02 -0.39 0.11 -2.55 0.00 0.00 0.00 176.54 173.73 2c1h h PRO 208 N -0.31 0.00 -0.02 4.80 0.11 -1.88 -1.02 132.00 133.68 2c1h h PRO 208 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 2c1h h PRO 208 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2c1h h PRO 208 CO -0.15 0.00 -0.77 0.35 -0.21 0.00 0.00 178.00 177.22 2c1h h PHE 209 N 0.00 0.22 -0.28 0.65 3.04 -1.81 -3.16 116.94 115.60 2c1h h PHE 209 Ca 0.03 -0.11 -0.13 0.00 3.98 0.00 0.00 57.97 61.75 2c1h h PHE 209 Cb 0.25 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2c1h h PHE 209 CO 0.00 0.86 -0.32 -0.09 -2.02 0.00 0.00 178.31 176.74 2c1h h ARG 210 N 0.10 0.71 0.00 1.11 2.43 -0.73 -2.86 114.38 115.14 2c1h h ARG 210 Ca -0.02 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2c1h h ARG 210 Cb 1.35 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2c1h h ARG 210 CO 0.11 1.01 -0.10 0.38 -1.51 0.00 0.00 179.97 179.86 2c1h h ASP 211 N 0.45 0.00 -0.11 -3.80 2.03 -1.69 -2.91 116.42 110.40 2c1h h ASP 211 Ca 0.04 -0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 56.18 2c1h h ASP 211 Cb 0.90 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.39 2c1h h ASP 211 CO 0.08 0.01 -0.42 0.00 -1.03 0.00 0.00 179.24 177.87 2c1h h ALA 212 N 2.28 0.76 -0.56 4.15 0.00 -1.47 -2.79 119.26 121.63 2c1h h ALA 212 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c1h h ALA 212 Cb 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2c1h h ALA 212 CO 0.00 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.19 2c1h n LEU 213 N -4.02 3.32 -0.06 0.00 4.32 -1.10 -4.94 117.00 114.52 2c1h n LEU 213 Ca -0.02 -1.60 -0.01 0.00 -0.02 0.00 0.00 56.01 54.36 2c1h n LEU 213 Cb 0.54 -0.37 -0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2c1h n LEU 213 CO 0.46 0.80 -0.01 1.41 -1.22 0.00 0.00 177.39 178.84 2c1h n HIS 214 N 1.33 -0.01 -1.62 -1.77 8.25 -1.05 -4.86 115.22 115.50 2c1h n HIS 214 Ca 0.21 0.00 -0.56 0.00 -0.26 0.00 0.00 57.72 57.11 2c1h n HIS 214 Cb 0.54 -1.73 -0.07 0.00 1.12 0.00 0.00 29.99 29.85 2c1h n HIS 214 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2c1h n SER 215 N -0.18 1.49 -4.72 0.41 3.41 -1.11 -4.88 113.62 108.04 2c1h n SER 215 Ca -0.01 1.12 -0.34 0.00 -0.26 0.00 0.00 58.87 59.38 2c1h n SER 215 Cb 0.40 -1.10 0.09 0.00 -0.26 0.00 0.00 64.21 63.34 2c1h n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c1h s ALA 216 N 1.33 2.12 0.00 7.33 0.00 -1.26 -4.66 121.76 126.63 2c1h s ALA 216 Ca 0.91 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2c1h s ALA 216 Cb -1.08 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2c1h s ALA 216 CO 0.56 -1.87 0.00 -2.30 0.00 0.00 0.00 175.76 172.15 2c1h n PRO 217 N -2.73 0.00 0.00 0.00 -0.02 -1.26 -3.70 135.00 127.28 2c1h n PRO 217 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2c1h n PRO 217 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2c1h n PRO 217 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c1h n GLN 218 N 0.00 0.00 0.00 -0.52 -0.00 -1.26 -4.07 117.38 111.53 2c1h n GLN 218 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.00 57.15 2c1h n GLN 218 Cb 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 30.24 28.73 2c1h n GLN 218 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2c1h n PHE 219 N -1.12 0.00 -1.61 2.61 -0.00 -1.26 -4.67 117.46 111.41 2c1h n PHE 219 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 2c1h n PHE 219 Cb 0.01 0.01 0.08 0.00 -0.00 0.00 0.00 39.48 39.59 2c1h n PHE 219 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2c1h s GLY 220 N -0.20 1.62 1.25 7.13 0.00 -1.26 -5.05 107.32 110.81 2c1h s GLY 220 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.31 2c1h s GLY 220 CO 0.00 0.19 1.02 0.51 0.00 0.00 0.00 173.10 174.81 2c1h s ASP 221 N -3.99 0.41 -0.44 1.64 -4.77 -1.26 -4.96 116.67 103.30 2c1h s ASP 221 Ca 0.60 1.04 0.04 0.00 -3.30 0.00 0.00 52.55 50.93 2c1h s ASP 221 Cb -0.14 -1.55 0.46 0.00 -1.09 0.00 0.00 42.92 40.60 2c1h s ASP 221 CO 0.54 -4.49 1.54 0.29 0.70 0.00 0.00 175.17 173.75 2c1h n LYS 222 N -5.06 3.11 0.00 2.11 5.02 -1.26 -4.67 118.16 117.41 2c1h n LYS 222 Ca 0.09 -3.75 0.14 0.00 -2.02 0.00 0.00 58.31 52.76 2c1h n LYS 222 Cb 0.58 -2.25 0.56 0.00 -0.02 0.00 0.00 35.03 33.90 2c1h n LYS 222 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2c1h n SER 223 N -0.83 0.16 0.18 4.39 3.41 -1.26 -1.27 113.62 118.40 2c1h n SER 223 Ca 0.51 0.16 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2c1h n SER 223 Cb 0.86 -0.27 0.41 0.00 -0.26 0.00 0.00 64.21 64.95 2c1h n SER 223 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2c1h h THR 224 N 0.06 0.00 0.00 6.66 1.35 -2.01 -3.40 112.91 115.58 2c1h h THR 224 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2c1h h THR 224 Cb 0.46 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2c1h h THR 224 CO 0.00 0.00 -0.17 0.00 -0.25 0.00 0.00 175.52 175.10 2c1h n TYR 225 N -2.69 0.00 -2.56 4.73 4.11 -1.19 -5.07 117.16 114.49 2c1h n TYR 225 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.55 2c1h n TYR 225 Cb 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.69 2c1h n TYR 225 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 2c1h s GLN 226 N -1.17 4.40 0.50 -3.48 -0.21 -0.40 -4.91 119.66 114.40 2c1h s GLN 226 Ca 0.00 1.59 -0.22 0.00 0.02 0.00 0.00 55.36 56.75 2c1h s GLN 226 Cb 0.00 -2.82 -0.06 0.00 1.00 0.00 0.00 33.01 31.13 2c1h s GLN 226 CO 0.00 0.06 1.23 -1.64 -2.12 0.00 0.00 175.29 172.81 2c1h s MET 227 N -2.03 3.47 -0.08 2.91 -1.94 -0.31 -4.21 119.30 117.11 2c1h s MET 227 Ca 0.52 1.91 -0.30 0.00 -1.71 0.00 0.00 55.69 56.11 2c1h s MET 227 Cb -0.25 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 2c1h s MET 227 CO 0.32 -0.83 1.45 1.21 -0.01 0.00 0.00 175.02 177.16 2c1h s ASN 228 N -1.28 6.81 0.00 3.03 3.84 -1.26 0.94 114.94 127.02 2c1h s ASN 228 Ca 0.68 2.01 0.00 0.00 0.21 0.00 0.00 52.86 55.76 2c1h s ASN 228 Cb -0.32 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.84 2c1h s ASN 228 CO 0.38 -0.82 0.78 -2.65 -2.79 0.00 0.00 177.10 172.00 2c1h n PRO 229 N 6.52 0.00 0.00 0.43 -0.02 -1.26 -0.93 135.00 139.74 2c1h n PRO 229 Ca 0.15 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2c1h n PRO 229 Cb 0.44 -1.72 0.24 0.00 -0.02 0.00 0.00 33.50 32.44 2c1h n PRO 229 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c1h n ALA 230 N -1.28 3.06 -2.87 3.55 0.00 -1.26 -4.95 120.51 116.76 2c1h n ALA 230 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 2c1h n ALA 230 Cb 0.22 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 2c1h n ALA 230 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2c1h s ASN 231 N -2.34 5.36 -0.09 0.00 0.02 -0.10 -4.96 114.94 112.83 2c1h s ASN 231 Ca 0.25 0.00 -0.07 0.00 -1.02 0.00 0.00 52.86 52.02 2c1h s ASN 231 Cb 0.19 -1.91 -0.04 0.00 0.02 0.00 0.00 41.25 39.51 2c1h s ASN 231 CO 0.47 0.16 -0.17 0.41 0.02 0.00 0.00 177.10 178.00 2c1h n THR 232 N 3.62 0.99 0.15 1.60 -1.04 -1.26 -4.51 114.28 113.84 2c1h n THR 232 Ca -0.17 0.02 0.08 0.00 -2.04 0.00 0.00 64.05 61.95 2c1h n THR 232 Cb 0.52 -1.79 0.58 0.00 -1.82 0.00 0.00 70.33 67.82 2c1h n THR 232 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2c1h h GLU 233 N -0.47 0.16 0.00 -2.82 4.39 -2.01 -1.98 114.58 111.85 2c1h h GLU 233 Ca -0.19 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 2c1h h GLU 233 Cb 0.93 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2c1h h GLU 233 CO -0.11 0.11 -0.23 1.49 -1.16 0.00 0.00 179.01 179.10 2c1h h GLU 234 N 0.16 0.00 -0.11 2.33 4.81 -1.99 -2.78 114.58 117.01 2c1h h GLU 234 Ca 0.08 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 2c1h h GLU 234 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2c1h h GLU 234 CO -0.01 0.23 -0.46 0.00 -0.73 0.00 0.00 179.01 178.04 2c1h h ALA 235 N 1.77 1.01 -0.34 2.92 0.00 -1.58 -1.45 119.26 121.59 2c1h h ALA 235 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 2c1h h ALA 235 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2c1h h ALA 235 CO 0.03 0.63 -0.33 0.52 0.00 0.00 0.00 179.25 180.10 2c1h h MET 236 N 0.22 0.76 -0.23 0.00 2.86 -1.50 -0.93 114.93 116.12 2c1h h MET 236 Ca 0.01 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 2c1h h MET 236 Cb 0.90 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2c1h h MET 236 CO 0.07 0.98 -0.11 -0.22 1.06 0.00 0.00 176.91 178.69 2c1h h LYS 237 N 0.64 0.48 -0.27 1.72 3.64 -1.45 -2.74 116.57 118.58 2c1h h LYS 237 Ca 0.07 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2c1h h LYS 237 Cb 0.86 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2c1h h LYS 237 CO 0.08 0.75 0.15 0.93 -2.27 0.00 0.00 179.45 179.09 2c1h h GLU 238 N 0.19 0.38 -0.48 1.90 4.39 -1.19 -2.96 114.58 116.81 2c1h h GLU 238 Ca 0.05 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2c1h h GLU 238 Cb 0.61 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2c1h h GLU 238 CO 0.03 0.34 0.10 0.28 -1.16 0.00 0.00 179.01 178.60 2c1h h VAL 239 N 0.32 1.24 0.39 3.13 2.07 -1.23 -2.91 116.25 119.27 2c1h h VAL 239 Ca 0.10 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2c1h h VAL 239 Cb 0.07 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2c1h h VAL 239 CO -0.02 0.31 -0.20 -0.08 0.02 0.00 0.00 177.57 177.60 2c1h h GLU 240 N 0.66 -0.53 -1.03 1.57 4.81 -1.48 -1.07 114.58 117.52 2c1h h GLU 240 Ca 0.15 0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.67 2c1h h GLU 240 Cb 0.35 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.75 2c1h h GLU 240 CO 0.00 -0.35 0.64 -0.07 -0.73 0.00 0.00 179.01 178.50 2c1h h LEU 241 N -0.55 0.54 -0.48 1.64 3.38 -1.54 0.94 115.31 119.24 2c1h h LEU 241 Ca -0.05 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2c1h h LEU 241 Cb 0.43 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2c1h h LEU 241 CO 0.07 0.11 -0.76 0.44 0.09 0.00 0.00 178.44 178.39 2c1h h ASP 242 N 0.48 0.06 0.03 -0.43 5.19 -1.20 -1.79 116.42 118.76 2c1h h ASP 242 Ca 0.61 -0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.81 2c1h h ASP 242 Cb 1.37 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.88 2c1h h ASP 242 CO -0.36 0.80 -0.66 0.40 -3.12 0.00 0.00 179.24 176.30 2c1h h ILE 243 N 0.03 1.44 -0.39 0.35 2.04 0.35 -2.16 117.51 119.18 2c1h h ILE 243 Ca -0.01 -2.17 0.06 0.00 1.00 0.00 0.00 64.86 63.73 2c1h h ILE 243 Cb 1.33 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 40.10 2c1h h ILE 243 CO 0.10 0.63 0.26 0.58 0.00 0.00 0.00 178.15 179.72 2c1h h VAL 244 N -0.14 0.95 0.00 1.67 2.07 -0.95 -0.88 116.25 118.96 2c1h h VAL 244 Ca -0.09 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 2c1h h VAL 244 Cb 1.39 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2c1h h VAL 244 CO 0.13 0.05 -0.40 -0.33 0.02 0.00 0.00 177.57 177.04 2c1h h GLU 245 N 0.28 0.00 0.00 1.57 5.08 -1.26 -3.47 114.58 116.77 2c1h h GLU 245 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2c1h h GLU 245 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2c1h h GLU 245 CO -0.03 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 2c1h n GLY 246 N 0.43 1.89 3.75 -3.84 0.00 -0.34 -4.29 105.19 102.79 2c1h n GLY 246 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2c1h n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1h s ALA 247 N -1.89 3.69 0.00 4.61 0.00 -0.85 -4.86 121.76 122.47 2c1h s ALA 247 Ca 0.00 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 2c1h s ALA 247 Cb 0.00 -3.62 -0.28 0.00 0.00 0.00 0.00 23.12 19.22 2c1h s ALA 247 CO 0.00 -0.93 0.86 -0.44 0.00 0.00 0.00 175.76 175.26 2c1h h ASP 248 N 4.62 0.41 -4.23 0.00 3.32 -1.81 -3.46 116.42 115.27 2c1h h ASP 248 Ca -0.47 -0.57 -0.38 0.00 0.02 0.00 0.00 57.03 55.64 2c1h h ASP 248 Cb 1.22 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.38 2c1h h ASP 248 CO 0.77 1.47 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.35 2c1h s ILE 249 N -2.62 0.75 -0.01 0.35 1.01 -1.16 -4.35 121.20 115.18 2c1h s ILE 249 Ca -0.09 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2c1h s ILE 249 Cb 0.07 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 2c1h s ILE 249 CO 0.86 0.03 -0.21 0.68 0.00 0.00 0.00 174.94 176.29 2c1h s VAL 250 N -0.60 2.47 0.06 2.92 -7.23 -1.05 -1.28 120.40 115.70 2c1h s VAL 250 Ca 0.00 -1.04 0.08 0.00 -1.81 0.00 0.00 61.98 59.21 2c1h s VAL 250 Cb -0.06 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2c1h s VAL 250 CO 0.00 0.52 -0.22 -0.32 -0.31 0.00 0.00 175.10 174.77 2c1h s MET 251 N -0.86 1.87 -0.14 4.82 1.75 0.14 0.09 119.30 126.97 2c1h s MET 251 Ca 0.11 -1.09 -0.02 0.00 -1.25 0.00 0.00 55.69 53.44 2c1h s MET 251 Cb -0.10 -2.07 -0.02 0.00 2.84 0.00 0.00 34.83 35.47 2c1h s MET 251 CO 0.01 0.51 -0.06 0.08 -0.65 0.00 0.00 175.02 174.91 2c1h s VAL 252 N -0.92 3.69 -0.09 10.11 1.01 -0.28 -2.28 120.40 131.65 2c1h s VAL 252 Ca 0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2c1h s VAL 252 Cb -0.10 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2c1h s VAL 252 CO 0.05 0.51 0.22 -0.75 0.00 0.00 0.00 175.10 175.13 2c1h s LYS 253 N 0.22 0.21 0.00 2.72 2.20 -1.03 -2.69 119.74 121.37 2c1h s LYS 253 Ca -0.04 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2c1h s LYS 253 Cb -0.14 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2c1h s LYS 253 CO 0.03 -0.10 0.00 -2.30 -0.36 0.00 0.00 175.35 172.62 2c1h n PRO 254 N 3.64 -1.13 0.00 4.03 -0.02 -1.26 -0.85 135.00 139.40 2c1h n PRO 254 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2c1h n PRO 254 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 2c1h n PRO 254 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c1h n GLY 255 N 2.06 -0.37 0.46 -1.23 0.00 -0.74 -4.52 105.19 100.85 2c1h n GLY 255 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2c1h n GLY 255 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2c1h h LEU 256 N 0.00 -1.77 -1.11 0.99 3.38 -1.94 0.12 115.31 114.98 2c1h h LEU 256 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2c1h h LEU 256 Cb 0.00 0.70 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2c1h h LEU 256 CO 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.08 2c1h n ALA 257 N -3.03 2.21 -2.09 1.53 0.00 -1.26 -3.06 120.51 114.81 2c1h n ALA 257 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 2c1h n ALA 257 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2c1h n ALA 257 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c1h n TYR 258 N 0.15 0.00 0.32 0.00 4.02 0.02 -4.88 117.16 116.80 2c1h n TYR 258 Ca 0.00 -0.09 0.16 0.00 -0.01 0.00 0.00 57.90 57.95 2c1h n TYR 258 Cb 0.22 -0.07 0.64 0.00 -0.02 0.00 0.00 39.34 40.12 2c1h n TYR 258 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2c1h h LEU 259 N 0.18 0.00 -0.30 7.72 4.07 -1.46 -2.50 115.31 123.02 2c1h h LEU 259 Ca -0.04 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.79 2c1h h LEU 259 Cb 1.49 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.22 2c1h h LEU 259 CO 0.02 0.00 -0.29 -2.24 -1.08 0.00 0.00 178.44 174.85 2c1h h ASP 260 N 0.00 0.78 -0.67 -0.43 2.03 -1.89 -2.09 116.42 114.15 2c1h h ASP 260 Ca 0.00 -0.47 -0.07 0.00 -0.73 0.00 0.00 57.03 55.77 2c1h h ASP 260 Cb 0.41 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 38.67 2c1h h ASP 260 CO 0.00 1.09 0.16 0.40 -1.03 0.00 0.00 179.24 179.85 2c1h h ILE 261 N 0.49 1.26 -0.65 4.15 1.08 -1.85 -1.35 117.51 120.63 2c1h h ILE 261 Ca 0.05 -0.96 0.03 0.00 -0.39 0.00 0.00 64.86 63.59 2c1h h ILE 261 Cb 0.86 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 2c1h h ILE 261 CO 0.07 0.37 0.40 0.58 -0.69 0.00 0.00 178.15 178.88 2c1h h VAL 262 N 1.01 1.07 -0.51 1.67 2.07 -1.47 -0.90 116.25 119.19 2c1h h VAL 262 Ca 0.21 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2c1h h VAL 262 Cb 0.38 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2c1h h VAL 262 CO 0.00 0.14 0.01 -0.25 0.02 0.00 0.00 177.57 177.49 2c1h h TRP 263 N 0.77 0.96 -0.81 1.57 2.91 -1.05 -2.19 115.95 118.11 2c1h h TRP 263 Ca 0.26 -0.16 -0.04 0.00 1.13 0.00 0.00 58.89 60.08 2c1h h TRP 263 Cb 0.04 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.40 2c1h h TRP 263 CO -0.05 0.90 0.36 0.00 -1.03 0.00 0.00 178.44 178.61 2c1h h ARG 264 N 0.75 1.18 -0.40 2.65 3.08 -1.01 -1.97 114.38 118.66 2c1h h ARG 264 Ca 0.14 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2c1h h ARG 264 Cb 0.51 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2c1h h ARG 264 CO 0.02 0.93 -0.27 1.15 -1.07 0.00 0.00 179.97 180.73 2c1h h THR 265 N 1.16 1.27 -0.00 2.04 2.02 -1.06 -3.13 112.91 115.21 2c1h h THR 265 Ca 0.27 -1.41 -0.16 0.00 0.77 0.00 0.00 66.41 65.88 2c1h h THR 265 Cb 0.16 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2c1h h THR 265 CO -0.03 0.47 -0.77 0.50 0.37 0.00 0.00 175.52 176.07 2c1h h LYS 266 N 0.71 0.02 -0.00 6.66 1.63 -1.22 -2.73 116.57 121.64 2c1h h LYS 266 Ca 0.09 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2c1h h LYS 266 Cb 0.81 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2c1h h LYS 266 CO 0.07 0.78 -0.15 -1.91 -3.45 0.00 0.00 179.45 174.78 2c1h n GLU 267 N -3.64 0.71 0.00 1.90 4.07 -0.76 -4.27 120.64 118.65 2c1h n GLU 267 Ca -0.01 -0.29 0.00 0.00 -0.06 0.00 0.00 57.16 56.80 2c1h n GLU 267 Cb 0.74 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 2c1h n GLU 267 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2c1h n ARG 268 N -0.89 2.74 -0.00 5.31 0.00 -1.19 -4.93 116.66 117.71 2c1h n ARG 268 Ca 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.01 2c1h n ARG 268 Cb 0.30 -0.76 -0.03 0.00 0.00 0.00 0.00 32.46 31.96 2c1h n ARG 268 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2c1h n PHE 269 N -0.85 0.00 -2.36 -0.14 3.72 -1.03 -5.03 117.46 111.77 2c1h n PHE 269 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 2c1h n PHE 269 Cb 0.03 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2c1h n PHE 269 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2c1h n ASP 270 N -1.28 -5.26 -4.01 4.37 9.92 -1.26 -4.98 116.55 114.05 2c1h n ASP 270 Ca 0.00 0.08 -0.20 0.00 -0.53 0.00 0.00 54.79 54.14 2c1h n ASP 270 Cb 0.09 -4.42 -0.15 0.00 -0.64 0.00 0.00 41.12 36.00 2c1h n ASP 270 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2c1h s VAL 271 N -2.88 0.75 0.02 2.53 1.01 -1.26 -5.11 120.40 115.45 2c1h s VAL 271 Ca 0.00 -0.36 -0.39 0.00 0.00 0.00 0.00 61.98 61.23 2c1h s VAL 271 Cb 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 36.38 35.54 2c1h s VAL 271 CO 0.00 0.23 1.21 -2.65 0.00 0.00 0.00 175.10 173.89 2c1h n PRO 272 N 3.14 0.50 -4.05 2.72 -0.02 -1.26 -4.83 135.00 131.21 2c1h n PRO 272 Ca -0.17 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.15 2c1h n PRO 272 Cb 0.55 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 2c1h n PRO 272 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c1h s VAL 273 N 0.35 4.51 0.24 -1.45 1.01 -1.26 -2.53 120.40 121.27 2c1h s VAL 273 Ca 0.89 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2c1h s VAL 273 Cb -1.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2c1h s VAL 273 CO 0.54 0.45 0.03 0.00 0.00 0.00 0.00 175.10 176.11 2c1h s ALA 274 N 0.59 3.24 0.01 5.51 0.00 0.11 -0.66 121.76 130.56 2c1h s ALA 274 Ca 0.02 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 2c1h s ALA 274 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2c1h s ALA 274 CO 0.02 0.33 0.15 -1.50 0.00 0.00 0.00 175.76 174.75 2c1h s ILE 275 N -2.11 0.09 -0.20 0.00 2.07 -0.49 -1.12 121.20 119.43 2c1h s ILE 275 Ca 0.30 -0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 58.78 2c1h s ILE 275 Cb -0.08 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 2c1h s ILE 275 CO 0.20 -0.40 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.30 2c1h s TYR 276 N -1.58 2.94 -0.99 3.50 5.04 -1.10 -0.52 117.35 124.64 2c1h s TYR 276 Ca -0.13 -0.84 -0.19 0.00 -2.44 0.00 0.00 57.07 53.46 2c1h s TYR 276 Cb -0.06 -2.05 0.11 0.00 0.35 0.00 0.00 41.96 40.31 2c1h s TYR 276 CO 0.01 -0.45 1.26 -1.58 -1.34 0.00 0.00 175.55 173.45 2c1h s HIS 277 N 1.20 2.98 0.82 4.97 5.65 0.15 -1.79 115.29 129.27 2c1h s HIS 277 Ca 0.02 -1.32 -0.11 0.00 0.25 0.00 0.00 55.06 53.90 2c1h s HIS 277 Cb -0.14 -4.42 0.09 0.00 -1.18 0.00 0.00 32.58 26.93 2c1h s HIS 277 CO -0.01 -1.61 1.13 0.14 -0.65 0.00 0.00 174.74 173.73 2c1h s VAL 278 N 3.26 2.69 0.29 0.89 -7.23 -1.26 -4.42 120.40 114.61 2c1h s VAL 278 Ca 0.38 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2c1h s VAL 278 Cb -0.03 -2.53 0.28 0.00 0.56 0.00 0.00 36.38 34.66 2c1h s VAL 278 CO -0.08 -0.28 1.88 0.77 -0.31 0.00 0.00 175.10 177.09 2c1h h SER 279 N -1.32 0.94 -0.15 4.85 4.64 -1.94 -1.84 113.55 118.73 2c1h h SER 279 Ca -0.44 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2c1h h SER 279 Cb 1.25 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2c1h h SER 279 CO 0.47 0.57 0.09 1.23 -0.87 0.00 0.00 176.83 178.32 2c1h h GLY 280 N 1.05 0.20 0.54 -0.77 0.00 -1.39 0.40 103.07 103.10 2c1h h GLY 280 Ca 0.43 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.77 2c1h h GLY 280 CO -0.18 0.06 0.34 0.83 0.00 0.00 0.00 176.54 177.59 2c1h h GLU 281 N 0.18 0.58 -0.44 4.80 5.08 -1.69 0.15 114.58 123.25 2c1h h GLU 281 Ca 0.06 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2c1h h GLU 281 Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2c1h h GLU 281 CO -0.03 0.38 0.09 -0.92 -1.00 0.00 0.00 179.01 177.54 2c1h h TYR 282 N 0.59 0.75 0.00 4.33 3.20 -0.79 -2.55 116.97 122.50 2c1h h TYR 282 Ca 0.32 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 2c1h h TYR 282 Cb 0.30 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2c1h h TYR 282 CO -0.11 0.71 -0.47 0.00 -1.64 0.00 0.00 178.16 176.65 2c1h h ALA 283 N 0.96 1.17 -0.42 1.82 0.00 0.03 -2.24 119.26 120.58 2c1h h ALA 283 Ca 0.14 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2c1h h ALA 283 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2c1h h ALA 283 CO 0.00 0.59 0.01 0.52 0.00 0.00 0.00 179.25 180.38 2c1h h MET 284 N 0.00 0.74 -0.36 0.00 2.86 -0.66 0.03 114.93 117.54 2c1h h MET 284 Ca -0.00 -0.23 -0.15 0.00 -2.06 0.00 0.00 59.70 57.26 2c1h h MET 284 Cb 0.86 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2c1h h MET 284 CO 0.06 0.81 -0.34 0.28 1.06 0.00 0.00 176.91 178.77 2c1h h VAL 285 N 0.58 1.28 -0.56 -2.22 2.07 -1.42 -2.90 116.25 113.08 2c1h h VAL 285 Ca 0.12 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 2c1h h VAL 285 Cb 0.46 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2c1h h VAL 285 CO 0.02 0.50 -0.04 0.50 0.02 0.00 0.00 177.57 178.57 2c1h h LYS 286 N 0.66 1.02 -0.07 1.57 1.63 -1.24 -1.78 116.57 118.37 2c1h h LYS 286 Ca 0.06 -0.35 -0.21 0.00 -0.85 0.00 0.00 60.65 59.30 2c1h h LYS 286 Cb 0.93 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2c1h h LYS 286 CO 0.09 1.03 -0.83 0.00 -3.45 0.00 0.00 179.45 176.29 2c1h h ALA 287 N 0.95 0.43 -0.01 5.00 0.00 -1.04 -2.85 119.26 121.74 2c1h h ALA 287 Ca 0.15 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2c1h h ALA 287 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2c1h h ALA 287 CO 0.04 0.75 -0.78 0.00 0.00 0.00 0.00 179.25 179.26 2c1h h ALA 288 N 0.75 0.66 -0.15 0.00 0.00 -1.48 -3.15 119.26 115.90 2c1h h ALA 288 Ca -0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 2c1h h ALA 288 Cb 1.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2c1h h ALA 288 CO 0.15 0.88 -0.50 0.00 0.00 0.00 0.00 179.25 179.77 2c1h h ALA 289 N 1.10 0.86 0.00 0.00 0.00 -1.35 -2.28 119.26 117.59 2c1h h ALA 289 Ca -0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2c1h h ALA 289 Cb 1.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2c1h h ALA 289 CO 0.11 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.90 2c1h h ALA 290 N 1.15 1.22 0.00 0.00 0.00 -1.46 -1.36 119.26 118.80 2c1h h ALA 290 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2c1h h ALA 290 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2c1h h ALA 290 CO 0.09 0.16 -0.48 1.63 0.00 0.00 0.00 179.25 180.65 2c1h n LYS 291 N -3.56 0.21 -0.97 0.00 4.76 -1.13 -4.95 118.16 112.53 2c1h n LYS 291 Ca -0.01 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2c1h n LYS 291 Cb 0.27 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2c1h n LYS 291 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2c1h n GLY 292 N 1.37 0.41 0.08 0.72 0.00 -0.51 -4.95 105.19 102.31 2c1h n GLY 292 Ca 0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2c1h n GLY 292 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2c1h h TRP 293 N 0.00 0.00 -3.26 1.61 6.55 -1.64 -3.47 115.95 115.74 2c1h h TRP 293 Ca 0.00 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 59.46 2c1h h TRP 293 Cb 0.02 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 28.17 2c1h h TRP 293 CO 0.00 0.87 -0.68 0.96 -1.05 0.00 0.00 178.44 178.54 2c1h s ILE 294 N -2.73 1.18 -0.29 1.49 -4.36 -1.22 -5.01 121.20 110.25 2c1h s ILE 294 Ca -0.01 -2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 58.13 2c1h s ILE 294 Cb 0.09 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 2c1h s ILE 294 CO 0.81 -0.48 0.53 -0.62 0.24 0.00 0.00 174.94 175.42 2c1h s ASP 295 N -3.27 6.41 0.09 4.36 -1.08 -1.26 -4.42 116.67 117.49 2c1h s ASP 295 Ca 0.24 0.37 -0.30 0.00 -0.52 0.00 0.00 52.55 52.34 2c1h s ASP 295 Cb 0.04 -2.28 -0.15 0.00 -1.46 0.00 0.00 42.92 39.07 2c1h s ASP 295 CO 0.06 -0.36 1.64 -0.08 0.52 0.00 0.00 175.17 176.95 2c1h h GLU 296 N 8.16 -0.66 -0.28 4.34 4.81 -1.91 -2.06 114.58 126.99 2c1h h GLU 296 Ca -0.28 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2c1h h GLU 296 Cb 1.13 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 2c1h h GLU 296 CO 0.74 -0.44 0.03 -0.44 -0.73 0.00 0.00 179.01 178.17 2c1h h ASP 297 N -0.68 -0.05 -0.44 1.04 5.19 -1.99 -1.27 116.42 118.23 2c1h h ASP 297 Ca -0.04 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 2c1h h ASP 297 Cb 0.58 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2c1h h ASP 297 CO 0.02 0.01 -0.00 0.03 -3.12 0.00 0.00 179.24 176.18 2c1h h ARG 298 N 0.12 0.77 -0.17 3.56 3.08 -1.99 -2.19 114.38 117.56 2c1h h ARG 298 Ca 0.13 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2c1h h ARG 298 Cb 0.15 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2c1h h ARG 298 CO -0.20 0.84 -0.14 0.28 -1.07 0.00 0.00 179.97 179.69 2c1h h VAL 299 N 0.61 1.33 -0.91 2.04 2.07 -1.22 -1.15 116.25 119.03 2c1h h VAL 299 Ca 0.12 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.44 2c1h h VAL 299 Cb 0.49 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 2c1h h VAL 299 CO 0.02 0.38 0.58 0.24 0.02 0.00 0.00 177.57 178.81 2c1h h MET 300 N 0.06 1.03 -0.09 1.57 2.86 -1.25 -0.25 114.93 118.86 2c1h h MET 300 Ca 0.03 -0.06 -0.23 0.00 -2.06 0.00 0.00 59.70 57.37 2c1h h MET 300 Cb 0.65 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.09 2c1h h MET 300 CO 0.04 0.68 -0.87 0.52 1.06 0.00 0.00 176.91 178.34 2c1h h MET 301 N 1.06 0.71 -0.46 1.72 2.07 -1.36 -2.61 114.93 116.06 2c1h h MET 301 Ca 0.39 -0.65 -0.06 0.00 -2.07 0.00 0.00 59.70 57.31 2c1h h MET 301 Cb 0.14 0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.00 2c1h h MET 301 CO -0.16 1.25 0.06 1.49 1.07 0.00 0.00 176.91 180.62 2c1h h GLU 302 N 0.46 0.77 -0.34 1.72 4.81 -0.96 -1.05 114.58 119.98 2c1h h GLU 302 Ca -0.08 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2c1h h GLU 302 Cb 1.50 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 2c1h h GLU 302 CO 0.17 0.79 0.05 0.66 -0.73 0.00 0.00 179.01 179.95 2c1h h SER 303 N 0.63 0.47 0.16 1.04 4.64 -1.09 0.98 113.55 120.38 2c1h h SER 303 Ca 0.14 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 2c1h h SER 303 Cb 0.40 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2c1h h SER 303 CO 0.01 0.50 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.93 2c1h h LEU 304 N 0.49 0.40 -0.30 5.97 3.38 -1.22 -2.75 115.31 121.28 2c1h h LEU 304 Ca 0.11 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2c1h h LEU 304 Cb 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2c1h h LEU 304 CO 0.00 0.82 -0.48 0.25 0.09 0.00 0.00 178.44 179.12 2c1h h LEU 305 N 0.30 0.94 -1.09 1.67 6.46 -0.52 -2.89 115.31 120.19 2c1h h LEU 305 Ca 0.02 -0.52 0.13 0.00 -0.12 0.00 0.00 57.88 57.39 2c1h h LEU 305 Cb 0.95 -0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.53 2c1h h LEU 305 CO 0.08 1.28 0.61 0.00 -0.62 0.00 0.00 178.44 179.80 2c1h h MET 307 N 0.91 0.93 -0.64 0.00 2.86 -1.40 -0.93 114.93 116.65 2c1h h MET 307 Ca 0.48 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2c1h h MET 307 Cb 0.55 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2c1h h MET 307 CO -0.25 1.07 0.07 0.87 1.06 0.00 0.00 176.91 179.73 2c1h h LYS 308 N 0.79 1.09 -0.65 1.72 1.79 -1.19 -2.35 116.57 117.77 2c1h h LYS 308 Ca 0.10 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 2c1h h LYS 308 Cb 0.82 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 2c1h h LYS 308 CO 0.07 1.02 0.30 -0.09 -1.08 0.00 0.00 179.45 179.67 2c1h h ARG 309 N 1.00 0.94 0.00 3.15 2.43 -0.90 -1.98 114.38 119.02 2c1h h ARG 309 Ca 0.19 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2c1h h ARG 309 Cb 0.48 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2c1h h ARG 309 CO 0.02 0.76 0.00 0.00 -1.51 0.00 0.00 179.97 179.24 2c1h n ALA 310 N -2.36 1.16 0.00 2.80 0.00 -0.37 -4.82 120.51 116.93 2c1h n ALA 310 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2c1h n ALA 310 Cb 0.13 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2c1h n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1h n GLY 311 N -1.10 1.66 3.87 0.00 0.00 -0.75 -2.97 105.19 105.90 2c1h n GLY 311 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2c1h n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1h s ALA 312 N -2.00 3.43 -0.07 4.61 0.00 -0.90 -4.71 121.76 122.11 2c1h s ALA 312 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2c1h s ALA 312 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 2c1h s ALA 312 CO 0.00 0.32 0.02 -0.25 0.00 0.00 0.00 175.76 175.85 2c1h n ASP 313 N -0.50 3.23 -4.19 0.00 8.00 0.17 -4.54 116.55 118.71 2c1h n ASP 313 Ca 0.02 -0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.24 2c1h n ASP 313 Cb 0.53 0.64 -0.16 0.00 -0.02 0.00 0.00 41.12 42.11 2c1h n ASP 313 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c1h s ILE 314 N -2.17 1.67 -0.22 0.53 1.01 -1.04 -4.43 121.20 116.54 2c1h s ILE 314 Ca -0.04 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 2c1h s ILE 314 Cb 0.02 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 41.13 2c1h s ILE 314 CO 0.29 0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 175.05 2c1h s ILE 315 N -0.11 1.23 -0.55 2.92 1.01 0.62 -1.40 121.20 124.92 2c1h s ILE 315 Ca -0.02 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.33 2c1h s ILE 315 Cb -0.12 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.81 2c1h s ILE 315 CO 0.02 -0.13 1.23 -0.36 0.00 0.00 0.00 174.94 175.71 2c1h s PHE 316 N 1.53 2.58 -0.00 3.97 0.40 0.32 -1.05 117.98 125.72 2c1h s PHE 316 Ca -0.04 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 2c1h s PHE 316 Cb -0.18 -4.48 0.00 0.00 0.51 0.00 0.00 43.02 38.87 2c1h s PHE 316 CO -0.07 -1.62 -0.01 -0.08 0.70 0.00 0.00 175.22 174.14 2c1h s THR 317 N 5.08 0.10 -1.07 0.64 -1.32 -0.64 0.34 115.64 118.78 2c1h s THR 317 Ca 0.46 -0.03 0.26 0.00 -1.21 0.00 0.00 61.69 61.17 2c1h s THR 317 Cb -0.08 -0.11 0.25 0.00 -1.51 0.00 0.00 72.50 71.05 2c1h s THR 317 CO 0.27 0.04 1.83 -1.22 -2.21 0.00 0.00 174.62 173.33 2c1h n TYR 318 N 3.18 0.00 0.90 9.09 4.01 -1.26 -2.34 117.16 130.74 2c1h n TYR 318 Ca -0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.71 2c1h n TYR 318 Cb 0.58 -0.47 0.30 0.00 -0.31 0.00 0.00 39.34 39.44 2c1h n TYR 318 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2c1h n TYR 319 N -1.47 0.27 -0.29 -0.72 9.36 -1.26 -4.61 117.16 118.45 2c1h n TYR 319 Ca 0.07 -0.13 0.10 0.00 3.32 0.00 0.00 57.90 61.26 2c1h n TYR 319 Cb 0.28 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 39.25 2c1h n TYR 319 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2c1h h ALA 320 N 4.33 1.29 -0.17 2.98 0.00 -1.79 0.14 119.26 126.03 2c1h h ALA 320 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2c1h h ALA 320 Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2c1h h ALA 320 CO 0.00 -0.28 -0.69 -0.22 0.00 0.00 0.00 179.25 178.06 2c1h h LYS 321 N 0.43 0.71 -0.37 0.00 3.64 -1.85 -0.38 116.57 118.75 2c1h h LYS 321 Ca 0.50 -0.53 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2c1h h LYS 321 Cb 0.88 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2c1h h LYS 321 CO -0.48 1.15 -0.03 0.93 -2.27 0.00 0.00 179.45 178.75 2c1h h GLU 322 N 0.50 0.67 -0.74 1.90 4.39 -1.57 -2.06 114.58 117.67 2c1h h GLU 322 Ca -0.03 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 2c1h h GLU 322 Cb 1.29 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 2c1h h GLU 322 CO 0.14 0.79 0.25 0.00 -1.16 0.00 0.00 179.01 179.04 2c1h h ALA 323 N 0.85 0.97 -0.94 3.43 0.00 -0.75 -2.71 119.26 120.11 2c1h h ALA 323 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c1h h ALA 323 Cb 0.51 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2c1h h ALA 323 CO 0.03 0.63 0.58 0.00 0.00 0.00 0.00 179.25 180.49 2c1h h ALA 324 N 1.13 1.26 -0.73 0.00 0.00 -0.90 -2.06 119.26 117.96 2c1h h ALA 324 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2c1h h ALA 324 Cb 0.27 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2c1h h ALA 324 CO -0.01 0.65 0.33 0.87 0.00 0.00 0.00 179.25 181.09 2c1h h LYS 325 N 1.29 1.06 0.00 0.00 1.57 -1.06 -2.24 116.57 117.18 2c1h h LYS 325 Ca 0.34 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 2c1h h LYS 325 Cb -0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2c1h h LYS 325 CO -0.07 0.84 -0.69 0.87 -0.57 0.00 0.00 179.45 179.83 2c1h h LYS 326 N 1.05 0.00 -0.01 3.15 1.57 -1.24 -3.16 116.57 117.93 2c1h h LYS 326 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2c1h h LYS 326 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2c1h h LYS 326 CO -0.03 0.69 -0.23 1.28 -0.57 0.00 0.00 179.45 180.59 2c1h n LEU 327 N -3.51 0.78 0.00 2.94 4.77 -0.81 -5.12 117.00 116.05 2c1h n LEU 327 Ca -0.00 -0.14 0.08 0.00 -0.03 0.00 0.00 56.01 55.93 2c1h n LEU 327 Cb 0.73 -0.16 0.50 0.00 -2.33 0.00 0.00 43.42 42.15 2c1h n LEU 327 CO 0.43 0.15 0.70 -1.14 -1.33 0.00 0.00 177.39 176.20