#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6m s VAL 4 N 0.00 5.13 -0.31 1.12 0.11 -1.26 -5.06 120.40 120.13 1x6m s VAL 4 Ca 0.00 0.72 -0.19 0.00 -2.93 0.00 0.00 61.98 59.59 1x6m s VAL 4 Cb 0.00 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.18 1x6m s VAL 4 CO 0.00 0.57 0.55 -0.62 -3.33 0.00 0.00 175.10 172.27 1x6m s ASP 5 N -0.93 6.40 0.00 3.54 3.68 -1.26 -4.93 116.67 123.17 1x6m s ASP 5 Ca 0.22 0.25 0.15 0.00 2.13 0.00 0.00 52.55 55.30 1x6m s ASP 5 Cb -0.16 -2.29 0.07 0.00 -1.45 0.00 0.00 42.92 39.10 1x6m s ASP 5 CO 0.11 -0.43 0.91 0.41 0.13 0.00 0.00 175.17 176.30 1x6m n THR 6 N 5.36 0.00 -2.19 1.71 -1.04 -1.26 -4.84 114.28 112.02 1x6m n THR 6 Ca -0.03 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.05 61.12 1x6m n THR 6 Cb 0.49 1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 70.24 1x6m n THR 6 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x6m s SER 7 N -1.44 6.87 0.00 8.00 1.04 -1.26 -2.99 113.70 123.92 1x6m s SER 7 Ca 0.16 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1x6m s SER 7 Cb 0.12 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1x6m s SER 7 CO 0.25 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1x6m n GLY 8 N 1.60 0.67 3.67 7.32 0.00 -1.26 -5.00 105.19 112.19 1x6m n GLY 8 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1x6m n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 9 N -2.93 4.43 -0.15 1.61 1.01 -1.16 -5.03 120.40 118.18 1x6m s VAL 9 Ca 0.00 1.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 1x6m s VAL 9 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1x6m s VAL 9 CO 0.00 -0.12 -0.02 -0.54 0.00 0.00 0.00 175.10 174.42 1x6m s LYS 10 N 3.12 3.58 -0.10 2.72 -0.14 -1.26 -5.04 119.74 122.63 1x6m s LYS 10 Ca 0.51 -0.48 -0.10 0.00 -1.36 0.00 0.00 55.97 54.54 1x6m s LYS 10 Cb -0.20 -2.93 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 1x6m s LYS 10 CO 0.13 0.33 -0.20 -0.89 -0.76 0.00 0.00 175.35 173.97 1x6m n ILE 11 N 3.27 0.90 -3.62 2.17 -0.00 -1.26 -4.63 119.36 116.19 1x6m n ILE 11 Ca -0.17 0.28 -0.15 0.00 -0.00 0.00 0.00 62.75 62.71 1x6m n ILE 11 Cb 0.53 -1.99 -0.07 0.00 -0.00 0.00 0.00 39.64 38.11 1x6m n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1x6m s HIS 12 N -2.13 -0.68 0.53 1.39 2.46 -1.26 -1.24 115.29 114.36 1x6m s HIS 12 Ca -0.17 1.51 0.26 0.00 0.47 0.00 0.00 55.06 57.13 1x6m s HIS 12 Cb 0.02 0.29 1.58 0.00 -0.13 0.00 0.00 32.58 34.34 1x6m s HIS 12 CO 0.25 -0.43 2.18 -1.00 -2.47 0.00 0.00 174.74 173.27 1x6m h PRO 13 N 4.41 0.00 0.00 2.88 0.13 -1.96 -1.31 132.00 136.16 1x6m h PRO 13 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1x6m h PRO 13 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x6m h PRO 13 CO 0.19 0.04 -0.04 0.00 -0.23 0.00 0.00 178.00 177.96 1x6m h ALA 14 N 1.96 1.14 -0.00 -0.56 0.00 -1.97 -3.15 119.26 116.67 1x6m h ALA 14 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x6m h ALA 14 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1x6m h ALA 14 CO 0.01 0.05 -0.12 1.33 0.00 0.00 0.00 179.25 180.51 1x6m n VAL 15 N -3.33 0.00 0.11 0.00 0.24 -0.56 -4.57 118.33 110.21 1x6m n VAL 15 Ca -0.02 -0.44 0.05 0.00 -2.04 0.00 0.00 64.34 61.90 1x6m n VAL 15 Cb 0.18 1.01 0.50 0.00 -1.47 0.00 0.00 33.84 34.06 1x6m n VAL 15 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1x6m h ASP 16 N 0.10 0.28 -0.52 -1.34 3.45 -1.33 0.85 116.42 117.91 1x6m h ASP 16 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1x6m h ASP 16 Cb 0.08 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1x6m h ASP 16 CO 0.00 0.22 0.00 0.59 -1.57 0.00 0.00 179.24 178.48 1x6m n ASN 17 N -4.49 4.29 0.00 6.45 3.02 -1.26 -5.04 115.26 118.24 1x6m n ASN 17 Ca 0.01 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 1x6m n ASN 17 Cb 0.08 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1x6m n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x6m n GLY 18 N 0.86 2.04 3.69 7.41 0.00 0.29 -5.01 105.19 114.47 1x6m n GLY 18 Ca 0.22 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 1x6m n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x6m s ILE 19 N -2.50 5.09 0.07 -0.61 -5.25 -1.26 -4.48 121.20 112.26 1x6m s ILE 19 Ca 0.00 1.11 -0.30 0.00 -0.99 0.00 0.00 60.65 60.47 1x6m s ILE 19 Cb 0.00 -3.90 -0.05 0.00 2.95 0.00 0.00 42.46 41.46 1x6m s ILE 19 CO 0.00 0.21 1.09 -0.54 -1.79 0.00 0.00 174.94 173.91 1x6m s LYS 20 N 1.30 4.53 0.66 0.37 1.02 -1.26 -5.03 119.74 121.33 1x6m s LYS 20 Ca 0.28 1.61 -0.15 0.00 0.02 0.00 0.00 55.97 57.73 1x6m s LYS 20 Cb -0.16 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1x6m s LYS 20 CO 0.11 -0.08 1.13 -1.25 -0.92 0.00 0.00 175.35 174.34 1x6m s PRO 21 N 0.69 2.72 0.70 -1.68 0.04 -1.26 -4.51 135.00 131.70 1x6m s PRO 21 Ca 0.54 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1x6m s PRO 21 Cb -0.26 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1x6m s PRO 21 CO 0.30 -1.33 1.07 0.00 0.04 0.00 0.00 177.00 177.08 1x6m s ALA 22 N -2.22 2.56 -0.23 8.56 0.00 -1.25 -4.38 121.76 124.80 1x6m s ALA 22 Ca 0.69 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 1x6m s ALA 22 Cb -0.22 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1x6m s ALA 22 CO 0.41 -1.31 0.21 -1.14 0.00 0.00 0.00 175.76 173.93 1x6m s GLN 23 N -4.78 4.10 0.23 0.00 0.74 -0.52 -4.94 119.66 114.48 1x6m s GLN 23 Ca 0.60 -0.16 -0.32 0.00 0.05 0.00 0.00 55.36 55.53 1x6m s GLN 23 Cb -0.16 -3.53 -0.12 0.00 1.10 0.00 0.00 33.01 30.30 1x6m s GLN 23 CO 0.51 0.06 1.69 -2.30 -0.55 0.00 0.00 175.29 174.70 1x6m n PRO 24 N 4.26 2.73 -0.82 1.67 -0.02 -1.26 -2.04 135.00 139.52 1x6m n PRO 24 Ca -0.14 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1x6m n PRO 24 Cb 0.52 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1x6m n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x6m n GLY 25 N 3.54 0.57 3.70 -1.23 0.00 -1.26 -5.02 105.19 105.50 1x6m n GLY 25 Ca 0.14 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1x6m n GLY 25 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1x6m n PHE 26 N -2.82 2.63 0.23 1.61 -0.00 -0.87 -4.90 117.46 113.35 1x6m n PHE 26 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 57.45 57.57 1x6m n PHE 26 Cb 0.00 -2.66 0.09 0.00 -0.00 0.00 0.00 39.48 36.91 1x6m n PHE 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x6m n ALA 27 N 4.12 2.37 0.00 3.13 0.00 -1.26 -4.02 120.51 124.85 1x6m n ALA 27 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1x6m n ALA 27 Cb 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1x6m n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6m n GLY 28 N 0.59 -0.25 0.00 0.00 0.00 -1.26 -3.29 105.19 100.98 1x6m n GLY 28 Ca 0.08 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1x6m n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6m n GLY 29 N 0.00 1.12 3.03 -0.02 0.00 0.11 -4.95 105.19 104.49 1x6m n GLY 29 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1x6m n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6m s THR 30 N -1.11 0.96 -0.13 2.61 2.01 -1.26 -0.82 115.64 117.90 1x6m s THR 30 Ca 0.00 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1x6m s THR 30 Cb 0.00 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1x6m s THR 30 CO 0.00 0.29 0.05 -0.76 -0.69 0.00 0.00 174.62 173.51 1x6m s LEU 31 N 0.20 3.79 -0.03 4.42 1.02 0.16 -4.12 118.68 124.12 1x6m s LEU 31 Ca -0.04 0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.30 1x6m s LEU 31 Cb -0.10 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.20 1x6m s LEU 31 CO 0.01 0.29 -0.12 -1.00 0.02 0.00 0.00 176.35 175.55 1x6m s HIS 32 N -0.35 1.28 1.18 0.29 3.76 0.22 0.66 115.29 122.32 1x6m s HIS 32 Ca 0.08 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 54.45 1x6m s HIS 32 Cb -0.12 -0.89 0.30 0.00 1.11 0.00 0.00 32.58 32.98 1x6m s HIS 32 CO 0.02 -0.13 0.86 0.00 -0.85 0.00 0.00 174.74 174.63 1x6m n LYS 34 N -4.86 2.32 -1.82 0.00 5.02 -1.26 -4.84 118.16 112.72 1x6m n LYS 34 Ca 0.13 -1.96 -0.42 0.00 -2.02 0.00 0.00 58.31 54.04 1x6m n LYS 34 Cb 0.52 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1x6m n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6m h SER 36 N 6.37 0.00 -4.99 0.00 0.02 -2.01 -3.40 113.55 109.54 1x6m h SER 36 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.37 1x6m h SER 36 Cb 1.21 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.54 1x6m h SER 36 CO 0.91 0.00 -0.46 0.42 -1.14 0.00 0.00 176.83 176.56 1x6m s THR 37 N -3.92 0.08 -1.53 -2.27 -4.23 -1.26 -4.91 115.64 97.60 1x6m s THR 37 Ca -0.02 -0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1x6m s THR 37 Cb 0.11 -0.50 0.08 0.00 1.34 0.00 0.00 72.50 73.53 1x6m s THR 37 CO 0.44 -0.38 0.79 -3.20 -0.54 0.00 0.00 174.62 171.74 1x6m n ASN 38 N 1.35 -3.14 -4.71 3.99 5.15 -1.26 -4.92 115.26 111.72 1x6m n ASN 38 Ca -0.22 -0.89 -0.36 0.00 -0.60 0.00 0.00 54.58 52.50 1x6m n ASN 38 Cb 0.56 -3.44 0.08 0.00 -0.53 0.00 0.00 39.78 36.45 1x6m n ASN 38 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1x6m n PRO 39 N -4.50 0.87 -2.12 1.20 -0.04 -1.26 -4.89 135.00 124.26 1x6m n PRO 39 Ca -0.05 0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 1x6m n PRO 39 Cb 0.56 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1x6m n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x6m s VAL 40 N -1.58 3.15 -0.15 0.52 1.01 -1.26 -4.51 120.40 117.58 1x6m s VAL 40 Ca 0.80 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1x6m s VAL 40 Cb -0.36 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1x6m s VAL 40 CO 0.43 0.06 -0.18 -0.13 0.00 0.00 0.00 175.10 175.28 1x6m s ARG 41 N 1.13 3.11 -0.15 2.72 0.52 -0.08 -1.39 118.95 124.80 1x6m s ARG 41 Ca 0.66 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1x6m s ARG 41 Cb -0.38 -2.55 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 1x6m s ARG 41 CO 0.30 -0.03 -0.16 0.14 0.02 0.00 0.00 175.30 175.57 1x6m s VAL 42 N 0.90 2.63 -0.19 3.52 -7.23 0.21 -0.18 120.40 120.06 1x6m s VAL 42 Ca -0.04 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 1x6m s VAL 42 Cb -0.15 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 1x6m s VAL 42 CO -0.03 0.52 1.09 0.00 -0.31 0.00 0.00 175.10 176.37 1x6m s ALA 43 N 0.75 3.63 -0.44 1.32 0.00 0.24 0.40 121.76 127.66 1x6m s ALA 43 Ca -0.07 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 1x6m s ALA 43 Cb -0.16 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.50 1x6m s ALA 43 CO 0.01 -0.99 0.29 0.08 0.00 0.00 0.00 175.76 175.15 1x6m s VAL 44 N 3.02 4.39 -0.51 0.00 1.01 0.00 -1.20 120.40 127.10 1x6m s VAL 44 Ca 0.47 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1x6m s VAL 44 Cb -0.17 -3.70 0.51 0.00 0.00 0.00 0.00 36.38 33.01 1x6m s VAL 44 CO 0.10 -0.56 1.94 0.54 0.00 0.00 0.00 175.10 177.13 1x6m n ARG 45 N 4.96 2.34 -3.57 2.72 3.00 0.14 0.10 116.66 126.35 1x6m n ARG 45 Ca -0.10 -2.86 -0.10 0.00 -0.01 0.00 0.00 57.85 54.77 1x6m n ARG 45 Cb 0.43 -2.12 -0.02 0.00 0.00 0.00 0.00 32.46 30.74 1x6m n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x6m s ALA 46 N -3.24 -1.47 0.54 7.54 0.00 -1.21 -4.80 121.76 119.12 1x6m s ALA 46 Ca 0.55 0.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 1x6m s ALA 46 Cb 0.45 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 24.39 1x6m s ALA 46 CO 0.04 -0.86 1.24 -1.14 0.00 0.00 0.00 175.76 175.04 1x6m s GLN 47 N -3.81 3.26 0.67 0.00 2.00 -1.26 -3.99 119.66 116.54 1x6m s GLN 47 Ca 0.04 1.94 -0.07 0.00 -2.00 0.00 0.00 55.36 55.28 1x6m s GLN 47 Cb -0.03 -2.18 0.04 0.00 0.80 0.00 0.00 33.01 31.65 1x6m s GLN 47 CO -0.06 -1.00 0.98 0.95 -0.50 0.00 0.00 175.29 175.66 1x6m s THR 48 N -1.49 2.79 0.11 -0.34 -4.23 -1.26 -4.80 115.64 106.43 1x6m s THR 48 Ca 0.71 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 1x6m s THR 48 Cb -0.33 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1x6m s THR 48 CO 0.38 -0.19 -0.11 0.00 -0.54 0.00 0.00 174.62 174.16 1x6m s ALA 49 N -3.17 1.30 -1.53 3.99 0.00 0.45 -4.56 121.76 118.23 1x6m s ALA 49 Ca 0.58 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1x6m s ALA 49 Cb -0.11 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1x6m s ALA 49 CO 0.45 -0.01 0.65 0.72 0.00 0.00 0.00 175.76 177.57 1x6m n HIS 50 N 0.39 -2.02 -1.74 0.00 8.25 -1.26 -1.12 115.22 117.72 1x6m n HIS 50 Ca -0.15 0.56 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 1x6m n HIS 50 Cb 0.58 -4.53 -0.01 0.00 1.12 0.00 0.00 29.99 27.16 1x6m n HIS 50 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1x6m n ASN 51 N -2.51 3.42 -3.69 0.41 5.15 -1.26 -4.56 115.26 112.21 1x6m n ASN 51 Ca -0.10 1.20 -0.10 0.00 -0.60 0.00 0.00 54.58 54.98 1x6m n ASN 51 Cb 0.62 -1.56 -0.04 0.00 -0.53 0.00 0.00 39.78 38.27 1x6m n ASN 51 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1x6m s HIS 52 N -0.81 -0.15 0.09 1.20 -3.43 -0.51 -0.40 115.29 111.28 1x6m s HIS 52 Ca 0.57 -0.17 -0.22 0.00 -0.80 0.00 0.00 55.06 54.43 1x6m s HIS 52 Cb -0.52 0.33 -0.07 0.00 -1.43 0.00 0.00 32.58 30.90 1x6m s HIS 52 CO 0.59 -0.83 0.67 0.14 -2.00 0.00 0.00 174.74 173.31 1x6m s VAL 53 N -3.85 4.64 -0.06 -5.38 -7.23 -0.81 -0.65 120.40 107.07 1x6m s VAL 53 Ca 0.07 1.44 0.04 0.00 -1.81 0.00 0.00 61.98 61.72 1x6m s VAL 53 Cb 0.00 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1x6m s VAL 53 CO -0.07 0.50 -0.17 0.00 -0.31 0.00 0.00 175.10 175.06 1x6m n GLY 55 N 3.41 0.45 3.72 0.00 0.00 0.41 -0.48 105.19 112.71 1x6m n GLY 55 Ca -0.20 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1x6m n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h THR 57 N -0.58 0.00 0.00 0.00 1.35 -1.94 -3.32 112.91 108.41 1x6m h THR 57 Ca -0.46 -0.69 -0.04 0.00 -0.55 0.00 0.00 66.41 64.67 1x6m h THR 57 Cb 1.28 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1x6m h THR 57 CO 0.49 0.00 -0.41 0.11 -0.25 0.00 0.00 175.52 175.46 1x6m h LYS 58 N 0.00 0.00 -6.19 4.72 1.57 -1.98 -3.47 116.57 111.22 1x6m h LYS 58 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1x6m h LYS 58 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1x6m h LYS 58 CO 0.00 0.15 -0.49 0.00 -0.57 0.00 0.00 179.45 178.54 1x6m s TRP 60 N -2.03 2.66 0.09 0.00 -0.00 -1.26 -4.88 118.94 113.52 1x6m s TRP 60 Ca 0.33 0.65 0.05 0.00 -0.00 0.00 0.00 56.10 57.13 1x6m s TRP 60 Cb -0.09 -3.75 -0.04 0.00 -0.00 0.00 0.00 33.47 29.60 1x6m s TRP 60 CO 0.27 -2.88 -0.02 0.15 -0.00 0.00 0.00 176.95 174.47 1x6m s LYS 61 N 2.68 2.46 1.14 5.86 1.02 -1.26 -4.57 119.74 127.07 1x6m s LYS 61 Ca 0.67 -0.87 -0.15 0.00 0.02 0.00 0.00 55.97 55.64 1x6m s LYS 61 Cb -0.33 -2.49 0.26 0.00 -0.52 0.00 0.00 37.83 34.75 1x6m s LYS 61 CO 0.27 0.54 1.05 -1.25 -0.92 0.00 0.00 175.35 175.05 1x6m s PRO 62 N -2.24 -0.70 0.11 -1.68 0.04 -1.26 -4.92 135.00 124.35 1x6m s PRO 62 Ca 0.24 0.48 -0.35 0.00 0.04 0.00 0.00 61.00 61.41 1x6m s PRO 62 Cb -0.12 -1.61 -0.15 0.00 0.04 0.00 0.00 34.50 32.66 1x6m s PRO 62 CO 0.17 -3.48 1.47 0.39 0.04 0.00 0.00 177.00 175.58 1x6m n GLU 63 N -4.70 1.63 -1.46 4.56 -0.58 -1.26 -2.59 120.64 116.25 1x6m n GLU 63 Ca 0.06 0.59 -0.15 0.00 -0.42 0.00 0.00 57.16 57.24 1x6m n GLU 63 Cb 0.57 -2.30 -0.06 0.00 -0.57 0.00 0.00 31.44 29.08 1x6m n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x6m n GLY 64 N 3.00 1.53 3.62 0.62 0.00 -1.26 -5.01 105.19 107.68 1x6m n GLY 64 Ca 0.18 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1x6m n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m s ALA 65 N -2.57 3.38 0.21 4.61 0.00 -1.07 -4.99 121.76 121.33 1x6m s ALA 65 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1x6m s ALA 65 Cb 0.00 -1.94 0.16 0.00 0.00 0.00 0.00 23.12 21.34 1x6m s ALA 65 CO 0.00 0.11 1.51 0.82 0.00 0.00 0.00 175.76 178.19 1x6m h ILE 66 N 4.94 1.38 -2.93 0.00 2.04 -1.80 -3.45 117.51 117.68 1x6m h ILE 66 Ca -0.37 -2.01 -0.62 0.00 1.00 0.00 0.00 64.86 62.86 1x6m h ILE 66 Cb 1.17 2.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.12 1x6m h ILE 66 CO 0.69 0.60 -0.72 -0.36 0.00 0.00 0.00 178.15 178.36 1x6m s PHE 67 N -3.74 2.63 0.45 1.37 0.40 -0.37 -4.80 117.98 113.91 1x6m s PHE 67 Ca -0.05 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 1x6m s PHE 67 Cb 0.11 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.38 1x6m s PHE 67 CO 0.82 0.52 0.62 -1.54 0.70 0.00 0.00 175.22 176.34 1x6m s SER 68 N -2.90 5.61 -0.11 1.36 1.04 0.37 -4.64 113.70 114.42 1x6m s SER 68 Ca 0.25 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1x6m s SER 68 Cb -0.09 -0.85 0.02 0.00 0.10 0.00 0.00 66.02 65.20 1x6m s SER 68 CO 0.15 -0.82 -0.15 -1.58 0.98 0.00 0.00 173.24 171.83 1x6m s GLN 69 N -4.45 2.22 -0.12 4.02 0.74 -1.26 0.13 119.66 120.94 1x6m s GLN 69 Ca 0.54 -0.56 -0.12 0.00 0.05 0.00 0.00 55.36 55.27 1x6m s GLN 69 Cb -0.10 -1.91 0.03 0.00 1.10 0.00 0.00 33.01 32.13 1x6m s GLN 69 CO 0.35 -0.08 0.33 0.54 -0.55 0.00 0.00 175.29 175.87 1x6m s VAL 70 N 1.05 0.00 0.39 1.34 0.11 0.18 -4.54 120.40 118.93 1x6m s VAL 70 Ca -0.05 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 1x6m s VAL 70 Cb -0.15 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1x6m s VAL 70 CO -0.03 -0.01 0.19 0.00 -3.33 0.00 0.00 175.10 171.92 1x6m s ALA 71 N 0.10 2.58 0.01 1.54 0.00 -0.15 -1.42 121.76 124.43 1x6m s ALA 71 Ca -0.01 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1x6m s ALA 71 Cb -0.02 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 1x6m s ALA 71 CO 0.01 -0.45 -0.22 0.54 0.00 0.00 0.00 175.76 175.63 1x6m s VAL 72 N -3.29 1.75 0.04 0.00 0.11 -0.27 -1.18 120.40 117.56 1x6m s VAL 72 Ca 0.29 -1.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1x6m s VAL 72 Cb 0.02 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 1x6m s VAL 72 CO 0.19 0.37 -0.08 0.54 -3.33 0.00 0.00 175.10 172.79 1x6m s VAL 73 N -0.65 0.57 0.27 2.04 0.11 -0.14 -0.41 120.40 122.19 1x6m s VAL 73 Ca 0.08 -0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 1x6m s VAL 73 Cb -0.09 -0.61 -0.14 0.00 -1.53 0.00 0.00 36.38 34.02 1x6m s VAL 73 CO 0.00 -0.28 1.20 0.61 -3.33 0.00 0.00 175.10 173.30 1x6m n GLY 74 N 1.70 0.25 0.21 6.54 0.00 -1.26 -0.66 105.19 111.97 1x6m n GLY 74 Ca -0.21 0.41 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1x6m n GLY 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1x6m h ARG 75 N 2.94 0.00 -0.00 1.61 0.11 -1.62 -2.27 114.38 115.16 1x6m h ARG 75 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1x6m h ARG 75 Cb 1.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.39 1x6m h ARG 75 CO 0.67 0.27 0.04 -0.44 0.10 0.00 0.00 179.97 180.61 1x6m h ASP 76 N 0.00 0.00 0.86 0.08 3.32 -1.90 -2.56 116.42 116.23 1x6m h ASP 76 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x6m h ASP 76 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1x6m h ASP 76 CO 0.04 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 177.39 1x6m n ALA 77 N -2.07 2.71 -2.85 3.45 0.00 -0.85 -4.84 120.51 116.06 1x6m n ALA 77 Ca -0.03 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1x6m n ALA 77 Cb 0.11 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1x6m n ALA 77 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x6m s LEU 78 N -3.09 4.37 -0.18 0.00 1.98 -0.97 0.24 118.68 121.03 1x6m s LEU 78 Ca 0.13 0.45 -0.08 0.00 -2.89 0.00 0.00 54.13 51.74 1x6m s LEU 78 Cb 0.18 -2.09 0.07 0.00 0.66 0.00 0.00 46.19 45.02 1x6m s LEU 78 CO 0.59 0.38 0.42 -0.70 -1.89 0.00 0.00 176.35 175.14 1x6m s GLU 79 N -0.85 0.36 -0.34 1.98 2.12 -0.34 -4.99 118.70 116.64 1x6m s GLU 79 Ca 0.14 0.91 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 1x6m s GLU 79 Cb -0.12 0.14 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1x6m s GLU 79 CO 0.03 -0.20 1.48 0.08 -0.54 0.00 0.00 175.26 176.11 1x6m s VAL 80 N 1.99 3.85 -0.01 3.70 1.01 -1.26 -0.59 120.40 129.09 1x6m s VAL 80 Ca -0.06 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 1x6m s VAL 80 Cb -0.10 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1x6m s VAL 80 CO -0.13 -0.55 0.37 -0.07 0.00 0.00 0.00 175.10 174.72 1x6m h LEU 81 N 12.02 -0.06 -8.48 3.92 4.07 -0.93 -3.47 115.31 122.38 1x6m h LEU 81 Ca -0.29 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 56.99 1x6m h LEU 81 Cb 1.12 0.02 -0.31 0.00 1.08 0.00 0.00 40.66 42.57 1x6m h LEU 81 CO 1.05 0.01 -0.88 -1.83 -1.08 0.00 0.00 178.44 175.71 1x6m s GLU 82 N -1.89 2.34 0.00 1.13 -1.05 -1.16 -4.90 118.70 113.17 1x6m s GLU 82 Ca -0.01 -0.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 1x6m s GLU 82 Cb 0.00 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 1x6m s GLU 82 CO 0.03 0.41 0.00 0.41 0.95 0.00 0.00 175.26 177.06 1x6m n GLY 83 N 2.85 1.58 0.33 -3.83 0.00 -1.26 -0.91 105.19 103.95 1x6m n GLY 83 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1x6m n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h ALA 84 N 0.00 1.46 -0.70 4.61 0.00 -1.91 -2.17 119.26 120.55 1x6m h ALA 84 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1x6m h ALA 84 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1x6m h ALA 84 CO 0.00 0.47 0.47 1.05 0.00 0.00 0.00 179.25 181.24 1x6m h GLU 85 N 0.90 0.34 0.00 0.00 9.09 -2.03 -2.05 114.58 120.84 1x6m h GLU 85 Ca 0.24 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1x6m h GLU 85 Cb -0.03 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 26.99 1x6m h GLU 85 CO -0.04 0.23 0.00 1.63 0.05 0.00 0.00 179.01 180.87 1x6m n LYS 86 N -4.46 0.84 -3.76 1.06 5.02 -0.82 -4.85 118.16 111.19 1x6m n LYS 86 Ca 0.13 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 1x6m n LYS 86 Cb 0.52 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 1x6m n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x6m s LEU 87 N -2.05 4.18 0.08 -0.35 1.43 -0.77 -0.26 118.68 120.93 1x6m s LEU 87 Ca 0.41 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1x6m s LEU 87 Cb 0.19 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1x6m s LEU 87 CO 0.34 0.19 -0.18 -1.83 0.23 0.00 0.00 176.35 175.09 1x6m s GLU 88 N 0.30 1.08 0.07 1.70 1.03 0.20 -4.91 118.70 118.18 1x6m s GLU 88 Ca 0.08 -1.02 -0.31 0.00 0.03 0.00 0.00 54.97 53.75 1x6m s GLU 88 Cb -0.11 -1.23 -0.07 0.00 -0.80 0.00 0.00 34.13 31.92 1x6m s GLU 88 CO -0.02 0.29 1.38 0.42 -1.33 0.00 0.00 175.26 176.01 1x6m s ILE 89 N -1.07 3.50 0.26 1.83 1.01 -1.26 -0.50 121.20 124.96 1x6m s ILE 89 Ca 0.04 1.03 0.10 0.00 0.00 0.00 0.00 60.65 61.82 1x6m s ILE 89 Cb -0.09 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1x6m s ILE 89 CO 0.03 0.05 1.59 0.58 0.00 0.00 0.00 174.94 177.19 1x6m h VAL 90 N 4.50 1.46 -1.41 2.92 2.07 -1.05 -3.43 116.25 121.31 1x6m h VAL 90 Ca -0.41 -2.21 0.07 0.00 0.82 0.00 0.00 66.70 64.97 1x6m h VAL 90 Cb 1.20 2.19 -0.21 0.00 -1.52 0.00 0.00 31.29 32.95 1x6m h VAL 90 CO 0.87 0.63 -0.23 0.21 0.02 0.00 0.00 177.57 179.07 1x6m s ASN 91 N -6.84 -1.22 0.44 0.57 3.04 -1.26 -5.04 114.94 104.63 1x6m s ASN 91 Ca -0.01 1.10 0.29 0.00 0.04 0.00 0.00 52.86 54.28 1x6m s ASN 91 Cb 0.12 2.16 1.11 0.00 -1.54 0.00 0.00 41.25 43.10 1x6m s ASN 91 CO 0.77 -0.25 1.85 0.00 -3.04 0.00 0.00 177.10 176.44 1x6m h ALA 92 N 8.01 1.00 0.00 1.71 0.00 -1.96 -2.76 119.26 125.26 1x6m h ALA 92 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1x6m h ALA 92 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1x6m h ALA 92 CO 0.20 0.00 -0.76 0.93 0.00 0.00 0.00 179.25 179.62 1x6m h GLU 93 N 0.00 0.00 -6.84 0.00 4.39 -1.97 -3.47 114.58 106.69 1x6m h GLU 93 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1x6m h GLU 93 Cb 0.55 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.30 1x6m h GLU 93 CO 0.00 0.76 0.77 0.00 -1.16 0.00 0.00 179.01 179.39 1x6m n ALA 94 N -2.33 2.24 -0.28 3.43 0.00 -1.04 -4.92 120.51 117.61 1x6m n ALA 94 Ca 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.74 1x6m n ALA 94 Cb 0.80 -2.41 0.06 0.00 0.00 0.00 0.00 19.45 17.90 1x6m n ALA 94 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x6m h PRO 95 N 3.67 1.15 -5.35 0.00 0.13 -1.90 -3.34 132.00 126.37 1x6m h PRO 95 Ca -0.48 -0.22 -0.63 0.00 -0.87 0.00 0.00 66.00 63.80 1x6m h PRO 95 Cb 1.24 -0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 1x6m h PRO 95 CO 0.70 0.95 0.01 -1.50 -0.23 0.00 0.00 178.00 177.93 1x6m s ILE 96 N -5.53 5.02 -0.48 -3.56 1.10 -1.26 -4.44 121.20 112.05 1x6m s ILE 96 Ca -0.12 0.67 -0.21 0.00 -0.51 0.00 0.00 60.65 60.48 1x6m s ILE 96 Cb 0.15 -3.92 0.04 0.00 0.15 0.00 0.00 42.46 38.88 1x6m s ILE 96 CO 0.84 -0.08 0.71 -1.10 -2.11 0.00 0.00 174.94 173.19 1x6m s GLN 97 N 2.42 3.25 -0.26 3.50 -0.21 0.69 -4.86 119.66 124.19 1x6m s GLN 97 Ca 0.21 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 54.82 1x6m s GLN 97 Cb -0.15 -4.01 0.01 0.00 1.00 0.00 0.00 33.01 29.85 1x6m s GLN 97 CO 0.11 -1.17 1.01 1.03 -2.12 0.00 0.00 175.29 174.15 1x6m s ARG 98 N 3.02 4.18 -0.42 2.91 0.52 -1.26 -1.35 118.95 126.54 1x6m s ARG 98 Ca 0.22 1.19 -0.19 0.00 -0.52 0.00 0.00 55.73 56.43 1x6m s ARG 98 Cb -0.15 -3.67 0.02 0.00 0.52 0.00 0.00 34.95 31.66 1x6m s ARG 98 CO 0.17 -0.70 0.56 -1.01 0.02 0.00 0.00 175.30 174.34 1x6m s HIS 99 N 3.27 3.12 -0.03 -0.53 3.76 0.03 -0.33 115.29 124.58 1x6m s HIS 99 Ca 0.43 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1x6m s HIS 99 Cb -0.14 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 1x6m s HIS 99 CO 0.09 -0.76 -0.13 0.50 -0.85 0.00 0.00 174.74 173.59 1x6m s ARG 100 N 2.54 2.47 0.12 1.40 3.52 0.35 -0.16 118.95 129.18 1x6m s ARG 100 Ca 0.19 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 54.74 1x6m s ARG 100 Cb -0.15 -2.39 -0.08 0.00 -1.56 0.00 0.00 34.95 30.76 1x6m s ARG 100 CO 0.16 0.61 1.43 0.00 -0.81 0.00 0.00 175.30 176.69 1x6m h ARG 102 N 6.89 0.09 0.00 0.00 2.43 -0.98 -1.78 114.38 121.03 1x6m h ARG 102 Ca -0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1x6m h ARG 102 Cb 1.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1x6m h ARG 102 CO 0.88 0.06 -1.39 -0.25 -1.51 0.00 0.00 179.97 177.76 1x6m n ASP 103 N -4.37 1.68 0.00 -3.80 9.92 -1.26 -4.66 116.55 114.07 1x6m n ASP 103 Ca 0.15 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1x6m n ASP 103 Cb 0.74 1.47 0.00 0.00 -0.64 0.00 0.00 41.12 42.69 1x6m n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x6m n GLY 105 N 0.40 0.11 3.60 0.00 0.00 -0.67 -4.96 105.19 103.67 1x6m n GLY 105 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1x6m n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 106 N -2.50 4.95 -0.17 1.61 1.01 -1.25 -4.80 120.40 119.25 1x6m s VAL 106 Ca 0.03 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 1x6m s VAL 106 Cb -0.01 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1x6m s VAL 106 CO 0.04 0.38 0.98 -1.00 0.00 0.00 0.00 175.10 175.49 1x6m s HIS 107 N 0.98 3.43 -0.12 5.22 0.09 -1.26 -0.99 115.29 122.64 1x6m s HIS 107 Ca 0.06 1.46 0.04 0.00 -0.00 0.00 0.00 55.06 56.62 1x6m s HIS 107 Cb -0.14 -3.18 -0.24 0.00 -0.00 0.00 0.00 32.58 29.03 1x6m s HIS 107 CO 0.03 -0.32 0.35 -1.33 -0.00 0.00 0.00 174.74 173.47 1x6m n MET 108 N 5.56 0.69 -3.83 1.40 2.00 0.77 -4.68 117.12 119.03 1x6m n MET 108 Ca 0.09 0.23 -0.06 0.00 0.00 0.00 0.00 57.70 57.95 1x6m n MET 108 Cb 0.48 -1.69 -0.01 0.00 0.00 0.00 0.00 33.22 32.00 1x6m n MET 108 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1x6m s TYR 109 N -2.56 -0.09 -0.07 2.03 -0.85 -1.21 -4.63 117.35 109.97 1x6m s TYR 109 Ca -0.16 -0.37 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1x6m s TYR 109 Cb 0.07 0.72 0.02 0.00 0.38 0.00 0.00 41.96 43.15 1x6m s TYR 109 CO 0.77 -1.18 -0.08 0.20 -1.52 0.00 0.00 175.55 173.74 1x6m s GLY 110 N -2.99 0.70 0.03 5.49 0.00 -0.45 -0.79 107.32 109.29 1x6m s GLY 110 Ca 0.13 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.56 1x6m s GLY 110 CO 0.07 0.42 -0.11 -1.60 0.00 0.00 0.00 173.10 171.88 1x6m s ARG 111 N 1.05 2.35 -0.31 2.90 3.52 -0.46 -1.85 118.95 126.15 1x6m s ARG 111 Ca -0.08 -0.84 -0.08 0.00 -0.13 0.00 0.00 55.73 54.61 1x6m s ARG 111 Cb -0.14 -2.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.88 1x6m s ARG 111 CO -0.01 0.57 0.11 0.42 -0.81 0.00 0.00 175.30 175.59 1x6m s ILE 112 N -0.99 4.11 -0.56 4.11 1.09 -1.26 -0.22 121.20 127.48 1x6m s ILE 112 Ca 0.17 -0.73 0.23 0.00 -1.10 0.00 0.00 60.65 59.22 1x6m s ILE 112 Cb -0.11 -3.17 -0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1x6m s ILE 112 CO 0.07 0.00 1.12 -0.62 -0.10 0.00 0.00 174.94 175.42 1x6m n GLU 113 N 4.89 0.34 -2.53 2.79 -0.58 -1.26 -4.66 120.64 119.63 1x6m n GLU 113 Ca -0.14 0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.21 1x6m n GLU 113 Cb 0.47 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 1x6m n GLU 113 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1x6m s ASN 114 N -4.25 6.70 0.43 1.62 3.84 -1.26 -4.91 114.94 117.12 1x6m s ASN 114 Ca 0.04 0.90 0.30 0.00 0.21 0.00 0.00 52.86 54.31 1x6m s ASN 114 Cb 0.13 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.76 1x6m s ASN 114 CO 0.77 -1.11 1.91 -0.09 -2.79 0.00 0.00 177.10 175.79 1x6m h ARG 115 N 9.06 0.00 -0.01 0.43 2.43 -2.00 -2.46 114.38 121.83 1x6m h ARG 115 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1x6m h ARG 115 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1x6m h ARG 115 CO 1.07 0.00 -0.68 -0.25 -1.51 0.00 0.00 179.97 178.60 1x6m n ASP 116 N -2.60 1.38 -4.76 -3.80 8.00 -1.26 -4.91 116.55 108.59 1x6m n ASP 116 Ca -0.01 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.90 1x6m n ASP 116 Cb 0.14 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 41.96 1x6m n ASP 116 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1x6m s HIS 117 N -2.56 3.22 0.50 1.24 2.46 -0.93 -4.93 115.29 114.30 1x6m s HIS 117 Ca 0.12 1.43 0.27 0.00 0.47 0.00 0.00 55.06 57.34 1x6m s HIS 117 Cb 0.15 -3.57 1.36 0.00 -0.13 0.00 0.00 32.58 30.39 1x6m s HIS 117 CO 0.66 -1.58 1.89 -1.00 -2.47 0.00 0.00 174.74 172.24 1x6m h PRO 118 N 3.98 0.11 -0.69 2.88 0.13 -1.93 -2.27 132.00 134.22 1x6m h PRO 118 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x6m h PRO 118 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x6m h PRO 118 CO 0.69 0.08 0.00 1.19 -0.23 0.00 0.00 178.00 179.72 1x6m n PHE 119 N -4.35 1.39 -2.01 1.56 3.72 -1.26 -4.95 117.46 111.56 1x6m n PHE 119 Ca 0.18 -0.58 -0.42 0.00 -0.05 0.00 0.00 57.45 56.58 1x6m n PHE 119 Cb 0.85 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 39.18 1x6m n PHE 119 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1x6m s TYR 120 N -1.64 3.07 0.00 1.38 5.04 -0.85 -2.64 117.35 121.71 1x6m s TYR 120 Ca 0.52 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1x6m s TYR 120 Cb 0.32 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.79 1x6m s TYR 120 CO 0.27 -2.87 0.00 0.41 -1.34 0.00 0.00 175.55 172.02 1x6m n GLY 121 N 2.91 0.85 2.83 8.97 0.00 -1.26 -5.04 105.19 114.45 1x6m n GLY 121 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1x6m n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6m s LEU 122 N 0.00 0.56 0.18 0.99 1.02 -1.08 -1.59 118.68 118.76 1x6m s LEU 122 Ca 0.00 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 54.33 1x6m s LEU 122 Cb 0.00 0.16 -0.05 0.00 0.02 0.00 0.00 46.19 46.32 1x6m s LEU 122 CO 0.00 -0.18 0.39 -1.81 0.02 0.00 0.00 176.35 174.77 1x6m s ASP 123 N 1.53 6.42 -0.24 2.29 1.01 0.16 -4.49 116.67 123.36 1x6m s ASP 123 Ca -0.04 0.47 -0.05 0.00 0.71 0.00 0.00 52.55 53.64 1x6m s ASP 123 Cb -0.12 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1x6m s ASP 123 CO -0.05 -0.01 0.01 -0.36 0.21 0.00 0.00 175.17 174.97 1x6m s PHE 124 N -1.80 3.03 0.05 4.23 0.40 -0.77 -0.96 117.98 122.16 1x6m s PHE 124 Ca 0.39 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1x6m s PHE 124 Cb -0.11 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1x6m s PHE 124 CO 0.28 -0.51 -0.16 0.14 0.70 0.00 0.00 175.22 175.66 1x6m s VAL 125 N 1.51 1.32 -0.55 -0.44 -7.23 -0.32 -1.34 120.40 113.34 1x6m s VAL 125 Ca 0.05 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.89 1x6m s VAL 125 Cb -0.15 -1.19 0.12 0.00 0.56 0.00 0.00 36.38 35.72 1x6m s VAL 125 CO -0.00 0.01 0.55 -1.00 -0.31 0.00 0.00 175.10 174.34 1x6m s HIS 126 N -0.94 3.18 -0.83 2.82 3.76 -1.26 -0.97 115.29 121.04 1x6m s HIS 126 Ca 0.03 -1.17 0.20 0.00 -0.15 0.00 0.00 55.06 53.97 1x6m s HIS 126 Cb -0.09 -3.82 0.82 0.00 1.11 0.00 0.00 32.58 30.61 1x6m s HIS 126 CO 0.02 -1.08 1.62 0.25 -0.85 0.00 0.00 174.74 174.70 1x6m n THR 127 N 5.33 0.78 0.26 1.30 -2.24 -1.26 -2.12 114.28 116.33 1x6m n THR 127 Ca -0.13 0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 1x6m n THR 127 Cb 0.41 -0.94 0.14 0.00 -2.10 0.00 0.00 70.33 67.84 1x6m n THR 127 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x6m n GLU 128 N -1.77 0.06 -0.21 -0.78 0.28 -1.26 -2.05 120.64 114.91 1x6m n GLU 128 Ca 0.04 0.29 0.08 0.00 -0.16 0.00 0.00 57.16 57.40 1x6m n GLU 128 Cb 0.23 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 31.82 1x6m n GLU 128 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1x6m n LEU 129 N -1.36 2.39 -4.59 -1.84 4.77 -0.90 -4.80 117.00 110.66 1x6m n LEU 129 Ca 0.02 -1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 54.51 1x6m n LEU 129 Cb 0.05 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 1x6m n LEU 129 CO 0.05 0.58 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.76 1x6m s SER 130 N -1.09 4.64 0.35 -1.43 0.15 -0.87 -0.61 113.70 114.84 1x6m s SER 130 Ca 0.31 -0.11 0.22 0.00 0.70 0.00 0.00 55.95 57.07 1x6m s SER 130 Cb 0.16 -1.11 0.21 0.00 -1.71 0.00 0.00 66.02 63.58 1x6m s SER 130 CO 0.22 0.30 1.40 0.44 1.20 0.00 0.00 173.24 176.80 1x6m h ASP 131 N 4.71 0.00 -3.69 5.45 3.32 -1.87 -3.46 116.42 120.88 1x6m h ASP 131 Ca -0.48 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.07 1x6m h ASP 131 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1x6m h ASP 131 CO 0.53 0.03 0.26 -1.61 -1.72 0.00 0.00 179.24 176.73 1x6m s GLU 132 N -3.25 4.59 0.64 3.56 8.01 -1.26 -5.08 118.70 125.91 1x6m s GLU 132 Ca 0.04 1.24 -0.03 0.00 0.01 0.00 0.00 54.97 56.24 1x6m s GLU 132 Cb 0.07 -3.07 0.06 0.00 -4.31 0.00 0.00 34.13 26.88 1x6m s GLU 132 CO 0.71 0.45 0.91 -0.51 0.01 0.00 0.00 175.26 176.83 1x6m s ASP 133 N -1.38 4.94 0.00 -0.19 1.11 -1.26 -4.73 116.67 115.16 1x6m s ASP 133 Ca 0.42 0.15 0.00 0.00 0.18 0.00 0.00 52.55 53.31 1x6m s ASP 133 Cb -0.21 -0.87 0.00 0.00 1.07 0.00 0.00 42.92 42.91 1x6m s ASP 133 CO 0.26 -1.44 0.00 0.61 1.18 0.00 0.00 175.17 175.78 1x6m n GLY 134 N -2.67 0.95 3.80 0.21 0.00 -1.26 -4.90 105.19 101.32 1x6m n GLY 134 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1x6m n GLY 134 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6m s TRP 135 N -2.00 2.96 -0.16 1.61 0.52 -1.26 -1.44 118.94 119.17 1x6m s TRP 135 Ca 0.00 1.48 -0.37 0.00 0.02 0.00 0.00 56.10 57.22 1x6m s TRP 135 Cb 0.00 -2.96 -0.14 0.00 -1.15 0.00 0.00 33.47 29.22 1x6m s TRP 135 CO 0.00 -1.32 1.75 0.45 0.02 0.00 0.00 176.95 177.84 1x6m n SER 136 N -2.87 2.72 -4.77 2.95 2.88 -1.26 -3.88 113.62 109.38 1x6m n SER 136 Ca 0.08 1.04 -0.36 0.00 -1.33 0.00 0.00 58.87 58.31 1x6m n SER 136 Cb 0.53 -1.24 0.01 0.00 -0.75 0.00 0.00 64.21 62.76 1x6m n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x6m s ALA 137 N 3.30 2.72 0.16 -1.46 0.00 -1.26 -4.54 121.76 120.68 1x6m s ALA 137 Ca 0.94 0.89 -0.31 0.00 0.00 0.00 0.00 51.96 53.48 1x6m s ALA 137 Cb -0.91 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 18.71 1x6m s ALA 137 CO 0.58 -0.83 1.76 -1.25 0.00 0.00 0.00 175.76 176.02 1x6m s PRO 138 N -3.18 4.14 -0.21 0.00 0.04 -1.26 -4.19 135.00 130.34 1x6m s PRO 138 Ca 0.72 2.57 0.09 0.00 0.04 0.00 0.00 61.00 64.42 1x6m s PRO 138 Cb -0.26 -3.34 -0.21 0.00 0.04 0.00 0.00 34.50 30.72 1x6m s PRO 138 CO 0.30 -0.78 -0.01 0.39 0.04 0.00 0.00 177.00 176.93 1x6m n GLU 139 N 4.84 0.67 -3.09 4.56 1.02 0.46 -4.91 120.64 124.19 1x6m n GLU 139 Ca 0.17 0.10 -0.09 0.00 -0.02 0.00 0.00 57.16 57.32 1x6m n GLU 139 Cb 0.37 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1x6m n GLU 139 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1x6m n PHE 140 N -3.05 -1.31 -5.22 -0.32 1.16 -1.26 -4.30 117.46 103.15 1x6m n PHE 140 Ca -0.38 -1.49 -0.32 0.00 -1.87 0.00 0.00 57.45 53.40 1x6m n PHE 140 Cb 1.07 0.43 -0.17 0.00 -1.61 0.00 0.00 39.48 39.20 1x6m n PHE 140 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1x6m s ALA 141 N -2.21 2.17 0.15 1.98 0.00 -0.58 -1.93 121.76 121.34 1x6m s ALA 141 Ca 0.17 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.26 1x6m s ALA 141 Cb -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1x6m s ALA 141 CO 0.12 0.31 -0.26 0.00 0.00 0.00 0.00 175.76 175.93 1x6m s ALA 142 N 0.26 2.42 -1.45 0.00 0.00 -0.01 -0.33 121.76 122.64 1x6m s ALA 142 Ca -0.16 -1.51 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 1x6m s ALA 142 Cb -0.17 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1x6m s ALA 142 CO 0.08 0.51 0.57 1.19 0.00 0.00 0.00 175.76 178.11 1x6m n PHE 143 N 0.74 -1.76 -0.13 0.00 3.72 -0.77 -0.44 117.46 118.82 1x6m n PHE 143 Ca -0.17 0.78 -0.12 0.00 -0.05 0.00 0.00 57.45 57.90 1x6m n PHE 143 Cb 0.54 -3.73 -0.02 0.00 -0.94 0.00 0.00 39.48 35.33 1x6m n PHE 143 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1x6m h VAL 144 N -1.81 1.28 0.00 -4.37 2.07 -1.44 -2.81 116.25 109.17 1x6m h VAL 144 Ca -0.62 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1x6m h VAL 144 Cb 1.37 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1x6m h VAL 144 CO 0.65 0.46 0.00 0.77 0.02 0.00 0.00 177.57 179.47 1x6m h SER 145 N 0.64 0.00 0.26 0.57 4.64 -1.87 -2.83 113.55 114.97 1x6m h SER 145 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1x6m h SER 145 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1x6m h SER 145 CO 0.07 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.83 1x6m n SER 146 N -2.66 0.00 0.14 4.97 7.64 -1.06 -2.65 113.62 119.99 1x6m n SER 146 Ca -0.00 -0.60 0.13 0.00 1.01 0.00 0.00 58.87 59.40 1x6m n SER 146 Cb 0.18 -0.13 0.41 0.00 -1.01 0.00 0.00 64.21 63.65 1x6m n SER 146 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1x6m h ILE 147 N 0.00 0.00 -0.18 0.44 3.07 -1.49 -2.96 117.51 116.39 1x6m h ILE 147 Ca 0.00 -0.51 -0.14 0.00 1.55 0.00 0.00 64.86 65.76 1x6m h ILE 147 Cb 0.13 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 1x6m h ILE 147 CO 0.00 0.00 -0.47 0.40 -1.05 0.00 0.00 178.15 177.03 1x6m h ILE 148 N 0.00 1.32 0.00 0.16 2.04 -1.73 -2.55 117.51 116.75 1x6m h ILE 148 Ca 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1x6m h ILE 148 Cb 0.68 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1x6m h ILE 148 CO 0.00 0.52 0.00 -0.62 0.00 0.00 0.00 178.15 178.05 1x6m n GLU 149 N -3.99 0.20 -0.07 2.37 1.02 -1.12 -1.47 120.64 117.59 1x6m n GLU 149 Ca -0.02 0.15 0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1x6m n GLU 149 Cb 0.55 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.55 1x6m n GLU 149 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1x6m n SER 150 N -1.24 2.25 0.00 1.62 3.41 -0.98 -4.98 113.62 113.69 1x6m n SER 150 Ca 0.06 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1x6m n SER 150 Cb 0.09 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1x6m n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6m n GLY 151 N 0.36 1.00 3.74 5.00 0.00 -0.54 -5.09 105.19 109.66 1x6m n GLY 151 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1x6m n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 152 N -2.00 2.53 0.00 1.61 1.01 -1.09 -4.97 120.40 117.50 1x6m s VAL 152 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1x6m s VAL 152 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1x6m s VAL 152 CO 0.00 0.06 1.10 -0.62 0.00 0.00 0.00 175.10 175.64 1x6m s ASP 153 N 0.62 7.20 0.30 3.32 2.15 -1.26 -4.47 116.67 124.54 1x6m s ASP 153 Ca 0.63 1.80 0.04 0.00 0.43 0.00 0.00 52.55 55.46 1x6m s ASP 153 Cb -0.44 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 40.42 1x6m s ASP 153 CO 0.40 -0.41 1.62 -0.65 -0.17 0.00 0.00 175.17 175.97 1x6m h PRO 154 N 6.93 0.13 0.00 4.34 0.11 -1.94 0.45 132.00 142.02 1x6m h PRO 154 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1x6m h PRO 154 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1x6m h PRO 154 CO 0.80 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1x6m n SER 155 N -5.29 0.21 -0.04 -2.05 3.41 -1.26 -0.72 113.62 107.88 1x6m n SER 155 Ca 0.24 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.58 1x6m n SER 155 Cb 0.78 -0.62 0.54 0.00 -0.26 0.00 0.00 64.21 64.65 1x6m n SER 155 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x6m n ARG 156 N -1.78 0.28 -0.03 4.33 1.74 0.16 -4.36 116.66 117.00 1x6m n ARG 156 Ca -0.00 -0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 1x6m n ARG 156 Cb 0.02 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 1x6m n ARG 156 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1x6m h MET 157 N 0.21 0.66 -0.54 5.56 2.86 -1.05 -2.20 114.93 120.42 1x6m h MET 157 Ca 0.00 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 1x6m h MET 157 Cb 0.43 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1x6m h MET 157 CO 0.00 0.99 0.25 1.49 1.06 0.00 0.00 176.91 180.70 1x6m h GLU 158 N 0.52 0.77 0.15 1.72 4.81 -1.78 -1.48 114.58 119.30 1x6m h GLU 158 Ca 0.03 -0.10 -0.32 0.00 -0.13 0.00 0.00 59.36 58.84 1x6m h GLU 158 Cb 1.03 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1x6m h GLU 158 CO 0.10 0.61 -1.57 0.00 -0.73 0.00 0.00 179.01 177.42 1x6m h ALA 159 N 1.50 0.19 0.25 2.92 0.00 -1.78 -2.12 119.26 120.22 1x6m h ALA 159 Ca 0.19 -1.08 0.01 0.00 0.00 0.00 0.00 54.91 54.02 1x6m h ALA 159 Cb 0.11 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1x6m h ALA 159 CO -0.02 1.06 -0.32 0.82 0.00 0.00 0.00 179.25 180.78 1x6m h ILE 160 N 0.09 0.33 -0.71 0.00 2.04 -1.34 -1.25 117.51 116.67 1x6m h ILE 160 Ca -0.27 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1x6m h ILE 160 Cb 2.05 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1x6m h ILE 160 CO 0.18 0.00 0.47 0.03 0.00 0.00 0.00 178.15 178.83 1x6m h ARG 161 N -0.62 0.89 0.00 2.37 3.08 -1.33 0.24 114.38 119.01 1x6m h ARG 161 Ca -0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1x6m h ARG 161 Cb 0.59 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1x6m h ARG 161 CO -0.11 0.59 -0.42 0.00 -1.07 0.00 0.00 179.97 178.97 1x6m h ALA 162 N 1.57 1.25 0.14 0.04 0.00 -1.27 -1.79 119.26 119.20 1x6m h ALA 162 Ca 0.27 -0.38 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1x6m h ALA 162 Cb -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1x6m h ALA 162 CO -0.06 0.52 -1.27 -0.09 0.00 0.00 0.00 179.25 178.35 1x6m h ARG 163 N 0.00 0.31 -0.10 0.00 9.65 -0.60 -2.90 114.38 120.75 1x6m h ARG 163 Ca -0.00 -0.53 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1x6m h ARG 163 Cb 0.77 0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1x6m h ARG 163 CO 0.05 1.25 0.05 -0.07 2.80 0.00 0.00 179.97 184.06 1x6m h LEU 164 N 0.09 0.13 -1.70 3.80 3.38 -0.78 -2.09 115.31 118.14 1x6m h LEU 164 Ca -0.15 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1x6m h LEU 164 Cb 1.99 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 1x6m h LEU 164 CO 0.21 0.18 0.23 0.03 0.09 0.00 0.00 178.44 179.18 1x6m h ARG 165 N 0.06 0.40 0.00 1.13 3.08 -1.41 -0.13 114.38 117.52 1x6m h ARG 165 Ca 0.04 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 1x6m h ARG 165 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1x6m h ARG 165 CO -0.01 0.26 -0.90 1.05 -1.07 0.00 0.00 179.97 179.31 1x6m h GLU 166 N 0.41 0.02 0.00 0.04 4.11 -1.35 -2.43 114.58 115.38 1x6m h GLU 166 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1x6m h GLU 166 Cb 0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x6m h GLU 166 CO -0.03 0.90 0.00 1.28 0.07 0.00 0.00 179.01 181.24 1x6m n LEU 167 N -3.48 0.48 0.00 3.06 4.77 -0.80 -4.91 117.00 116.12 1x6m n LEU 167 Ca -0.01 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1x6m n LEU 167 Cb 0.85 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1x6m n LEU 167 CO 0.46 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1x6m n GLY 168 N -0.12 0.79 3.28 -0.72 0.00 -0.89 -4.71 105.19 102.82 1x6m n GLY 168 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1x6m n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6m s LEU 169 N 0.00 6.14 0.06 0.99 1.43 -0.11 -4.81 118.68 122.37 1x6m s LEU 169 Ca 0.00 -2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 50.77 1x6m s LEU 169 Cb 0.00 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 1x6m s LEU 169 CO 0.00 -0.75 1.82 -0.70 0.23 0.00 0.00 176.35 176.95 1x6m s GLU 170 N 1.21 4.16 -0.06 1.70 2.56 -1.26 -3.85 118.70 123.16 1x6m s GLU 170 Ca 0.07 2.49 -0.30 0.00 0.00 0.00 0.00 54.97 57.23 1x6m s GLU 170 Cb -0.25 -3.86 -0.04 0.00 2.00 0.00 0.00 34.13 31.98 1x6m s GLU 170 CO -0.00 -0.86 1.43 -1.25 -0.56 0.00 0.00 175.26 174.01 1x6m s PRO 171 N 3.53 4.24 0.20 4.30 0.04 -1.26 -1.53 135.00 144.53 1x6m s PRO 171 Ca 0.81 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.89 1x6m s PRO 171 Cb -0.42 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1x6m s PRO 171 CO 0.36 -0.68 -0.20 0.71 0.04 0.00 0.00 177.00 177.23 1x6m s TYR 172 N 3.13 2.07 -2.72 0.56 2.02 0.55 -4.98 117.35 117.99 1x6m s TYR 172 Ca 0.64 -0.41 0.26 0.00 -0.37 0.00 0.00 57.07 57.18 1x6m s TYR 172 Cb -0.29 -0.99 0.61 0.00 -0.40 0.00 0.00 41.96 40.89 1x6m s TYR 172 CO 0.24 0.47 1.49 -0.25 -1.57 0.00 0.00 175.55 175.94 1x6m n ASP 173 N 0.02 2.23 0.00 2.29 8.00 -1.26 -1.29 116.55 126.54 1x6m n ASP 173 Ca -0.11 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1x6m n ASP 173 Cb 0.58 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1x6m n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x6m n ALA 174 N 0.73 0.00 -1.79 2.24 0.00 -1.26 -4.22 120.51 116.22 1x6m n ALA 174 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1x6m n ALA 174 Cb 0.48 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.09 1x6m n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6m s LEU 175 N 0.00 2.37 0.68 0.00 1.43 -1.26 -1.84 118.68 120.05 1x6m s LEU 175 Ca 0.00 0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 53.42 1x6m s LEU 175 Cb 0.00 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1x6m s LEU 175 CO 0.00 -2.69 1.28 -0.94 0.23 0.00 0.00 176.35 174.23 1x6m s SER 176 N -4.62 4.40 0.28 2.29 1.04 -1.26 -4.77 113.70 111.06 1x6m s SER 176 Ca 0.70 2.58 0.01 0.00 0.48 0.00 0.00 55.95 59.72 1x6m s SER 176 Cb -0.07 -2.61 0.60 0.00 0.10 0.00 0.00 66.02 64.03 1x6m s SER 176 CO 0.52 -2.14 1.78 -0.65 0.98 0.00 0.00 173.24 173.74 1x6m h PRO 177 N 0.26 0.73 -0.61 4.02 0.11 -1.99 -0.76 132.00 133.76 1x6m h PRO 177 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1x6m h PRO 177 Cb 1.33 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1x6m h PRO 177 CO 0.52 0.48 0.22 -1.35 -0.21 0.00 0.00 178.00 177.66 1x6m h PRO 178 N 0.75 0.90 -0.32 1.05 0.11 -1.99 -0.34 132.00 132.15 1x6m h PRO 178 Ca 0.50 -0.15 -0.06 0.00 0.11 0.00 0.00 66.00 66.40 1x6m h PRO 178 Cb 0.69 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1x6m h PRO 178 CO -0.35 0.75 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.08 1x6m h LEU 179 N 0.88 0.59 -1.00 2.35 3.38 -1.77 -2.06 115.31 117.68 1x6m h LEU 179 Ca 0.20 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1x6m h LEU 179 Cb 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1x6m h LEU 179 CO -0.02 0.79 0.22 0.24 0.09 0.00 0.00 178.44 179.77 1x6m h MET 180 N 0.37 0.94 -0.56 1.13 2.86 -1.00 -1.14 114.93 117.53 1x6m h MET 180 Ca 0.08 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1x6m h MET 180 Cb 0.51 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1x6m h MET 180 CO 0.02 0.79 0.06 -0.44 1.06 0.00 0.00 176.91 178.40 1x6m h ASP 181 N 0.92 0.87 -0.08 1.22 3.32 -1.07 -1.68 116.42 119.92 1x6m h ASP 181 Ca 0.21 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1x6m h ASP 181 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1x6m h ASP 181 CO -0.01 0.90 -0.00 0.00 -1.72 0.00 0.00 179.24 178.40 1x6m h ALA 182 N 1.20 0.07 0.29 3.45 0.00 -0.89 -0.78 119.26 122.59 1x6m h ALA 182 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1x6m h ALA 182 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x6m h ALA 182 CO 0.01 -0.47 -0.14 0.82 0.00 0.00 0.00 179.25 179.47 1x6m h ILE 183 N 0.03 0.71 -0.83 0.00 2.04 -1.12 -1.67 117.51 116.66 1x6m h ILE 183 Ca 0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 1x6m h ILE 183 Cb 0.04 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1x6m h ILE 183 CO -0.06 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.63 1x6m h ALA 184 N 0.32 1.86 -0.39 1.87 0.00 -1.24 -1.32 119.26 120.37 1x6m h ALA 184 Ca -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1x6m h ALA 184 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x6m h ALA 184 CO 0.06 -0.07 -0.03 1.15 0.00 0.00 0.00 179.25 180.36 1x6m h THR 185 N 0.65 1.27 0.73 0.00 2.02 -0.93 0.21 112.91 116.87 1x6m h THR 185 Ca 0.41 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1x6m h THR 185 Cb 0.65 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1x6m h THR 185 CO -0.17 0.35 -0.35 -0.74 0.37 0.00 0.00 175.52 174.99 1x6m h HIS 186 N 0.52 -0.91 -0.54 3.16 6.17 -0.92 0.50 115.15 123.13 1x6m h HIS 186 Ca 0.11 -0.02 0.11 0.00 0.71 0.00 0.00 60.37 61.27 1x6m h HIS 186 Cb 0.52 0.30 -0.11 0.00 2.52 0.00 0.00 27.41 30.64 1x6m h HIS 186 CO 0.04 -0.56 -0.20 0.82 0.71 0.00 0.00 177.93 178.74 1x6m h ILE 187 N -1.02 0.35 -0.44 6.26 2.04 -1.24 -0.89 117.51 122.57 1x6m h ILE 187 Ca -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1x6m h ILE 187 Cb 0.76 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1x6m h ILE 187 CO 0.17 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.46 1x6m h ALA 188 N 1.34 1.44 -0.22 1.87 0.00 -0.46 -1.74 119.26 121.50 1x6m h ALA 188 Ca 0.25 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1x6m h ALA 188 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x6m h ALA 188 CO -0.59 0.42 -0.52 0.87 0.00 0.00 0.00 179.25 179.43 1x6m h LYS 189 N 0.63 0.62 -0.17 0.00 1.57 -0.37 -1.88 116.57 116.97 1x6m h LYS 189 Ca 0.15 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1x6m h LYS 189 Cb 0.17 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1x6m h LYS 189 CO -0.01 0.99 -0.16 0.00 -0.57 0.00 0.00 179.45 179.70 1x6m h ARG 190 N 0.48 0.27 0.00 3.15 3.08 -0.99 -3.25 114.38 117.12 1x6m h ARG 190 Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1x6m h ARG 190 Cb 1.07 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1x6m h ARG 190 CO 0.10 0.43 -0.93 -1.13 -1.07 0.00 0.00 179.97 177.37 1x6m n SER 191 N -4.24 0.63 0.00 7.04 3.41 -0.67 -4.96 113.62 114.83 1x6m n SER 191 Ca -0.01 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1x6m n SER 191 Cb 0.30 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1x6m n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6m n GLY 192 N 1.36 0.53 0.25 5.00 0.00 -0.86 -4.93 105.19 106.55 1x6m n GLY 192 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1x6m n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h ALA 193 N 0.00 1.51 -3.74 4.61 0.00 -1.68 -3.42 119.26 116.54 1x6m h ALA 193 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.26 1x6m h ALA 193 Cb 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.54 1x6m h ALA 193 CO 0.00 0.15 -0.82 -0.51 0.00 0.00 0.00 179.25 178.06 1x6m s LEU 194 N -7.92 2.26 0.18 0.00 1.43 -0.93 -5.00 118.68 108.70 1x6m s LEU 194 Ca -0.04 -0.64 -0.32 0.00 -1.03 0.00 0.00 54.13 52.11 1x6m s LEU 194 Cb 0.15 -0.86 -0.11 0.00 0.03 0.00 0.00 46.19 45.40 1x6m s LEU 194 CO 0.62 0.07 1.60 0.00 0.23 0.00 0.00 176.35 178.87 1x6m s ALA 195 N -1.08 3.81 0.00 4.21 0.00 -1.26 -4.52 121.76 122.92 1x6m s ALA 195 Ca 0.06 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1x6m s ALA 195 Cb -0.10 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1x6m s ALA 195 CO 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 174.98