#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e4j s PRO 3 N 0.00 3.73 -0.03 1.96 0.02 -1.26 -4.91 135.00 134.51 1e4j s PRO 3 Ca 0.00 1.60 -0.01 0.00 0.02 0.00 0.00 61.00 62.61 1e4j s PRO 3 Cb 0.00 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 1e4j s PRO 3 CO 0.00 -0.53 0.07 0.21 -0.33 0.00 0.00 177.00 176.42 1e4j s LYS 4 N -2.92 3.09 0.65 5.54 2.20 -1.26 -2.30 119.74 124.74 1e4j s LYS 4 Ca 0.66 -0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 1e4j s LYS 4 Cb -0.24 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1e4j s LYS 4 CO 0.28 0.67 1.04 0.00 -0.36 0.00 0.00 175.35 176.99 1e4j s ALA 5 N -1.12 2.90 0.00 3.13 0.00 -0.93 -4.88 121.76 120.86 1e4j s ALA 5 Ca 0.20 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1e4j s ALA 5 Cb -0.12 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1e4j s ALA 5 CO 0.11 -0.94 -0.11 0.08 0.00 0.00 0.00 175.76 174.90 1e4j s VAL 6 N -3.11 0.86 -0.22 0.00 1.01 -1.09 -4.29 120.40 113.57 1e4j s VAL 6 Ca 0.57 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1e4j s VAL 6 Cb -0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1e4j s VAL 6 CO 0.54 0.18 0.03 -0.69 0.00 0.00 0.00 175.10 175.16 1e4j s VAL 7 N -0.39 4.13 0.07 2.92 1.01 -1.26 -1.02 120.40 125.87 1e4j s VAL 7 Ca 0.03 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1e4j s VAL 7 Cb -0.05 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1e4j s VAL 7 CO -0.00 0.39 -0.00 -0.36 0.00 0.00 0.00 175.10 175.13 1e4j s PHE 8 N 1.23 3.00 -0.17 5.22 0.08 -0.04 -4.95 117.98 122.35 1e4j s PHE 8 Ca 0.04 -0.01 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 1e4j s PHE 8 Cb -0.15 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1e4j s PHE 8 CO 0.02 0.47 0.06 -0.51 -0.10 0.00 0.00 175.22 175.16 1e4j s LEU 9 N -2.13 3.80 -0.26 -0.37 1.43 -1.26 -0.97 118.68 118.91 1e4j s LEU 9 Ca 0.24 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1e4j s LEU 9 Cb -0.12 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1e4j s LEU 9 CO 0.16 0.19 0.01 -0.70 0.23 0.00 0.00 176.35 176.24 1e4j s GLU 10 N 0.26 1.26 0.75 1.70 2.12 0.37 -3.07 118.70 122.09 1e4j s GLU 10 Ca 0.03 -1.04 -0.11 0.00 0.36 0.00 0.00 54.97 54.21 1e4j s GLU 10 Cb -0.12 -2.46 0.05 0.00 0.26 0.00 0.00 34.13 31.85 1e4j s GLU 10 CO 0.00 -0.74 1.10 -2.14 -0.54 0.00 0.00 175.26 172.94 1e4j s PRO 11 N 1.45 2.33 0.10 4.30 0.02 -1.26 -1.54 135.00 140.40 1e4j s PRO 11 Ca 0.01 1.22 0.03 0.00 0.02 0.00 0.00 61.00 62.28 1e4j s PRO 11 Cb -0.18 -1.90 0.19 0.00 0.02 0.00 0.00 34.50 32.62 1e4j s PRO 11 CO -0.11 -1.59 0.89 0.00 -0.33 0.00 0.00 177.00 175.86 1e4j n GLN 12 N -3.32 0.02 -2.30 5.54 10.64 -1.18 -4.80 117.38 121.98 1e4j n GLN 12 Ca 0.09 0.35 -0.42 0.00 -1.83 0.00 0.00 57.00 55.19 1e4j n GLN 12 Cb 0.53 -1.87 -0.03 0.00 -0.86 0.00 0.00 30.24 28.02 1e4j n GLN 12 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1e4j s TRP 13 N -2.74 2.82 0.24 2.61 0.52 -1.26 -4.48 118.94 116.64 1e4j s TRP 13 Ca -0.00 0.88 0.08 0.00 0.02 0.00 0.00 56.10 57.08 1e4j s TRP 13 Cb 0.01 -3.60 0.24 0.00 -1.15 0.00 0.00 33.47 28.97 1e4j s TRP 13 CO 0.03 -2.18 1.54 0.10 0.02 0.00 0.00 176.95 176.46 1e4j h TYR 14 N 8.06 0.08 -3.65 -1.98 -0.00 -1.78 -3.42 116.97 114.26 1e4j h TYR 14 Ca -0.34 -0.03 -0.65 0.00 0.00 0.00 0.00 58.73 57.71 1e4j h TYR 14 Cb 1.16 -0.01 -0.22 0.00 0.00 0.00 0.00 36.73 37.65 1e4j h TYR 14 CO 0.78 0.72 -0.62 0.45 -0.00 0.00 0.00 178.16 179.49 1e4j s SER 15 N -6.85 5.21 0.37 0.10 0.15 -1.26 -1.58 113.70 109.84 1e4j s SER 15 Ca -0.02 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.53 1e4j s SER 15 Cb 0.12 -1.94 -0.07 0.00 -1.71 0.00 0.00 66.02 62.42 1e4j s SER 15 CO 0.78 -0.03 -0.04 0.68 1.20 0.00 0.00 173.24 175.83 1e4j s VAL 16 N 1.60 2.06 0.17 4.45 -7.23 0.21 -4.86 120.40 116.80 1e4j s VAL 16 Ca 0.06 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 1e4j s VAL 16 Cb -0.15 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1e4j s VAL 16 CO 0.04 -0.10 0.06 -0.22 -0.31 0.00 0.00 175.10 174.57 1e4j s LEU 17 N -3.65 3.53 0.43 1.32 2.96 -1.26 -0.77 118.68 121.23 1e4j s LEU 17 Ca 0.34 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.71 1e4j s LEU 17 Cb 0.06 -2.16 -0.09 0.00 0.50 0.00 0.00 46.19 44.50 1e4j s LEU 17 CO 0.17 0.08 1.46 -1.61 -1.32 0.00 0.00 176.35 175.13 1e4j s GLU 18 N -3.01 3.83 0.00 1.98 2.02 -0.29 -2.39 118.70 120.83 1e4j s GLU 18 Ca 0.29 2.49 0.00 0.00 0.02 0.00 0.00 54.97 57.77 1e4j s GLU 18 Cb -0.10 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1e4j s GLU 18 CO 0.21 -0.73 0.00 1.63 0.02 0.00 0.00 175.26 176.39 1e4j n LYS 19 N 0.03 0.00 -2.75 1.61 5.02 -0.65 -4.71 118.16 116.71 1e4j n LYS 19 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1e4j n LYS 19 Cb 0.41 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 1e4j n LYS 19 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1e4j s ASP 20 N -3.06 6.83 -0.11 4.39 1.01 -1.01 -4.53 116.67 120.19 1e4j s ASP 20 Ca 0.00 1.60 -0.14 0.00 0.71 0.00 0.00 52.55 54.71 1e4j s ASP 20 Cb 0.00 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1e4j s ASP 20 CO 0.00 -0.40 0.35 -0.44 0.21 0.00 0.00 175.17 174.89 1e4j s SER 21 N -2.44 6.58 -0.01 0.27 0.01 -1.25 -1.20 113.70 115.65 1e4j s SER 21 Ca 0.60 0.69 0.01 0.00 1.31 0.00 0.00 55.95 58.56 1e4j s SER 21 Cb -0.09 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1e4j s SER 21 CO 0.19 0.16 -0.05 -0.69 0.41 0.00 0.00 173.24 173.26 1e4j s VAL 22 N -0.03 0.41 -0.16 3.43 1.01 -0.57 -4.74 120.40 119.76 1e4j s VAL 22 Ca 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1e4j s VAL 22 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1e4j s VAL 22 CO 0.08 0.13 -0.16 -0.89 0.00 0.00 0.00 175.10 174.26 1e4j s THR 23 N 0.06 1.74 -0.33 3.92 2.01 -0.59 -1.06 115.64 121.39 1e4j s THR 23 Ca -0.00 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1e4j s THR 23 Cb -0.04 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1e4j s THR 23 CO -0.00 0.49 0.23 -0.76 -0.69 0.00 0.00 174.62 173.89 1e4j s LEU 24 N 1.40 4.47 -0.12 4.42 1.43 0.51 -0.47 118.68 130.31 1e4j s LEU 24 Ca 0.05 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1e4j s LEU 24 Cb -0.13 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1e4j s LEU 24 CO -0.11 -0.22 0.12 -0.54 0.23 0.00 0.00 176.35 175.83 1e4j s LYS 25 N 1.72 3.43 -0.16 1.70 1.02 -0.15 0.25 119.74 127.55 1e4j s LYS 25 Ca 0.06 -0.17 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 1e4j s LYS 25 Cb -0.17 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1e4j s LYS 25 CO 0.10 0.74 -0.07 0.00 -0.92 0.00 0.00 175.35 175.21 1e4j s GLN 27 N 0.61 2.59 0.32 0.00 0.74 -0.18 -4.85 119.66 118.89 1e4j s GLN 27 Ca -0.04 -1.41 -0.05 0.00 0.05 0.00 0.00 55.36 53.90 1e4j s GLN 27 Cb -0.15 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.23 1e4j s GLN 27 CO 0.03 -0.91 0.46 0.20 -0.55 0.00 0.00 175.29 174.53 1e4j s GLY 28 N 1.98 1.25 -0.07 2.59 0.00 -1.26 -2.66 107.32 109.15 1e4j s GLY 28 Ca 0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 44.72 43.35 1e4j s GLY 28 CO 0.02 -0.92 0.06 0.00 0.00 0.00 0.00 173.10 172.26 1e4j s ALA 29 N -3.30 3.53 0.20 3.20 0.00 -1.26 -5.05 121.76 119.08 1e4j s ALA 29 Ca 0.29 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.54 1e4j s ALA 29 Cb -0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1e4j s ALA 29 CO 0.17 0.63 -0.14 0.71 0.00 0.00 0.00 175.76 177.13 1e4j s TYR 30 N -1.02 1.69 -0.05 0.00 1.51 -1.26 -3.61 117.35 114.61 1e4j s TYR 30 Ca 0.17 -0.58 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1e4j s TYR 30 Cb -0.12 -0.79 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1e4j s TYR 30 CO 0.07 0.35 -0.18 -1.54 -1.11 0.00 0.00 175.55 173.13 1e4j s SER 31 N -3.30 2.30 0.56 2.29 1.04 -1.26 -5.03 113.70 110.30 1e4j s SER 31 Ca 0.22 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1e4j s SER 31 Cb -0.01 -0.66 0.17 0.00 0.10 0.00 0.00 66.02 65.63 1e4j s SER 31 CO 0.07 0.16 0.92 -2.65 0.98 0.00 0.00 173.24 172.71 1e4j n PRO 32 N 3.15 0.02 0.12 4.02 -0.02 -1.26 -1.65 135.00 139.38 1e4j n PRO 32 Ca -0.18 0.83 -0.22 0.00 -2.02 0.00 0.00 63.50 61.91 1e4j n PRO 32 Cb 0.53 -2.20 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 1e4j n PRO 32 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1e4j h GLU 33 N 0.00 0.51 -3.92 -0.52 4.11 -2.06 -3.43 114.58 109.28 1e4j h GLU 33 Ca 0.09 -0.79 -0.60 0.00 0.07 0.00 0.00 59.36 58.14 1e4j h GLU 33 Cb 1.90 0.28 -0.40 0.00 0.50 0.00 0.00 28.75 31.03 1e4j h GLU 33 CO -0.00 1.37 -0.76 0.34 0.07 0.00 0.00 179.01 180.03 1e4j s ASP 34 N -7.44 4.02 0.00 3.06 2.15 -0.66 -5.00 116.67 112.81 1e4j s ASP 34 Ca -0.08 -1.56 0.24 0.00 0.43 0.00 0.00 52.55 51.58 1e4j s ASP 34 Cb 0.05 -1.04 0.31 0.00 -0.30 0.00 0.00 42.92 41.95 1e4j s ASP 34 CO 0.93 -0.36 1.31 0.59 -0.17 0.00 0.00 175.17 177.46 1e4j n ASN 35 N 4.72 2.23 -4.85 -0.34 3.02 -1.26 -4.01 115.26 114.77 1e4j n ASN 35 Ca -0.04 -1.64 -0.31 0.00 -0.03 0.00 0.00 54.58 52.57 1e4j n ASN 35 Cb 0.43 0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.79 1e4j n ASN 35 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1e4j s SER 36 N -2.22 6.01 -0.01 6.41 1.04 -1.26 -4.93 113.70 118.74 1e4j s SER 36 Ca 0.26 1.51 0.07 0.00 0.48 0.00 0.00 55.95 58.27 1e4j s SER 36 Cb 0.19 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1e4j s SER 36 CO 0.42 -1.02 -0.23 -0.89 0.98 0.00 0.00 173.24 172.50 1e4j s THR 37 N -3.06 1.84 -0.22 2.02 2.01 -0.70 -4.59 115.64 112.94 1e4j s THR 37 Ca 0.57 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 1e4j s THR 37 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1e4j s THR 37 CO 0.52 0.50 0.11 -1.10 -0.69 0.00 0.00 174.62 173.95 1e4j s GLN 38 N -0.61 3.96 -0.03 4.92 1.11 -0.10 -4.21 119.66 124.70 1e4j s GLN 38 Ca 0.09 -0.34 0.01 0.00 0.01 0.00 0.00 55.36 55.14 1e4j s GLN 38 Cb -0.09 -3.38 -0.03 0.00 -1.01 0.00 0.00 33.01 28.50 1e4j s GLN 38 CO -0.01 0.10 -0.04 -1.58 0.01 0.00 0.00 175.29 173.77 1e4j s TRP 39 N 0.90 2.99 -0.11 0.91 0.52 -1.26 -1.98 118.94 120.91 1e4j s TRP 39 Ca 0.05 0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.22 1e4j s TRP 39 Cb -0.13 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1e4j s TRP 39 CO 0.03 0.40 -0.11 -0.06 0.02 0.00 0.00 176.95 177.23 1e4j s PHE 40 N -0.96 1.67 -0.28 -1.98 0.40 0.42 -1.82 117.98 115.43 1e4j s PHE 40 Ca 0.16 -0.81 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 1e4j s PHE 40 Cb -0.11 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1e4j s PHE 40 CO 0.06 -0.48 0.15 -1.58 0.70 0.00 0.00 175.22 174.07 1e4j s HIS 41 N 1.31 3.17 0.00 0.36 2.46 0.62 -1.22 115.29 122.00 1e4j s HIS 41 Ca -0.01 -0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.29 1e4j s HIS 41 Cb -0.14 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 29.97 1e4j s HIS 41 CO -0.05 -0.30 0.00 0.09 -2.47 0.00 0.00 174.74 172.01 1e4j n ASN 42 N 5.01 0.00 0.00 9.88 5.03 0.21 -1.11 115.26 134.27 1e4j n ASN 42 Ca -0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.31 1e4j n ASN 42 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1e4j n ASN 42 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1e4j n GLU 43 N 0.00 0.74 -3.72 3.52 1.02 -1.26 -4.84 120.64 116.10 1e4j n GLU 43 Ca 0.00 -0.07 -0.37 0.00 -0.02 0.00 0.00 57.16 56.70 1e4j n GLU 43 Cb 0.00 -0.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.97 1e4j n GLU 43 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1e4j s SER 44 N -0.12 6.53 0.19 1.62 0.15 -0.27 -5.06 113.70 116.74 1e4j s SER 44 Ca 0.00 0.63 -0.30 0.00 0.70 0.00 0.00 55.95 56.98 1e4j s SER 44 Cb 0.00 -2.14 -0.08 0.00 -1.71 0.00 0.00 66.02 62.09 1e4j s SER 44 CO 0.00 0.35 1.20 -0.22 1.20 0.00 0.00 173.24 175.76 1e4j s LEU 45 N -0.87 4.45 0.43 3.45 2.96 -1.26 -0.27 118.68 127.57 1e4j s LEU 45 Ca 0.18 2.25 0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1e4j s LEU 45 Cb -0.14 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1e4j s LEU 45 CO 0.07 -0.36 0.25 0.27 -1.32 0.00 0.00 176.35 175.25 1e4j s ILE 46 N -0.15 2.32 -0.31 6.68 -4.36 -0.76 -4.87 121.20 119.75 1e4j s ILE 46 Ca 0.52 -1.60 0.27 0.00 -0.26 0.00 0.00 60.65 59.58 1e4j s ILE 46 Cb -0.33 -2.91 0.29 0.00 1.25 0.00 0.00 42.46 40.76 1e4j s ILE 46 CO 0.37 0.00 1.79 0.28 0.24 0.00 0.00 174.94 177.63 1e4j h SER 47 N 1.27 0.00 -3.06 4.36 0.02 -1.97 -3.42 113.55 110.74 1e4j h SER 47 Ca -0.42 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.99 1e4j h SER 47 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1e4j h SER 47 CO 0.66 0.00 0.70 -0.55 -1.14 0.00 0.00 176.83 176.50 1e4j s SER 48 N -4.67 7.00 0.00 3.07 0.15 -1.26 -4.91 113.70 113.08 1e4j s SER 48 Ca 0.03 1.95 0.04 0.00 0.70 0.00 0.00 55.95 58.67 1e4j s SER 48 Cb 0.09 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.94 1e4j s SER 48 CO 0.44 -0.60 1.04 0.00 1.20 0.00 0.00 173.24 175.32 1e4j n GLN 49 N 4.93 2.60 -2.51 5.44 10.64 -1.26 -4.00 117.38 133.22 1e4j n GLN 49 Ca 0.11 -1.59 -0.25 0.00 -1.83 0.00 0.00 57.00 53.44 1e4j n GLN 49 Cb 0.45 -1.09 0.03 0.00 -0.86 0.00 0.00 30.24 28.78 1e4j n GLN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1e4j s ALA 50 N -0.93 3.44 0.39 2.61 0.00 -1.26 -1.72 121.76 124.29 1e4j s ALA 50 Ca 0.08 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1e4j s ALA 50 Cb 0.04 -2.45 0.79 0.00 0.00 0.00 0.00 23.12 21.50 1e4j s ALA 50 CO 0.05 -0.79 2.02 1.03 0.00 0.00 0.00 175.76 178.07 1e4j h SER 51 N -0.10 0.49 -3.67 0.00 0.87 -1.92 -3.42 113.55 105.80 1e4j h SER 51 Ca -0.45 -0.03 -0.49 0.00 -1.23 0.00 0.00 61.79 59.59 1e4j h SER 51 Cb 1.27 -0.12 -0.32 0.00 -0.44 0.00 0.00 62.40 62.79 1e4j h SER 51 CO 0.59 0.40 -0.81 -0.94 -0.53 0.00 0.00 176.83 175.54 1e4j s SER 52 N -6.68 1.63 -0.26 6.23 1.04 -1.26 -1.22 113.70 113.18 1e4j s SER 52 Ca -0.08 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 55.96 1e4j s SER 52 Cb 0.17 -0.58 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1e4j s SER 52 CO 0.74 0.07 0.27 -0.47 0.98 0.00 0.00 173.24 174.83 1e4j s TYR 53 N 0.36 3.26 -0.18 5.02 5.04 0.14 -4.93 117.35 126.06 1e4j s TYR 53 Ca -0.08 0.29 -0.05 0.00 -2.44 0.00 0.00 57.07 54.78 1e4j s TYR 53 Cb -0.12 -2.44 -0.03 0.00 0.35 0.00 0.00 41.96 39.71 1e4j s TYR 53 CO 0.02 -0.13 0.01 0.12 -1.34 0.00 0.00 175.55 174.23 1e4j s PHE 54 N 1.71 3.10 -0.36 4.97 5.36 -1.26 -0.36 117.98 131.13 1e4j s PHE 54 Ca 0.11 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 55.82 1e4j s PHE 54 Cb -0.15 -2.05 0.08 0.00 -0.34 0.00 0.00 43.02 40.56 1e4j s PHE 54 CO 0.09 -0.05 0.12 0.42 -1.46 0.00 0.00 175.22 174.34 1e4j s ILE 55 N 0.63 3.28 0.17 3.12 1.01 -0.22 -5.01 121.20 124.17 1e4j s ILE 55 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 60.65 58.84 1e4j s ILE 55 Cb -0.14 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.32 1e4j s ILE 55 CO 0.02 -0.43 1.68 -2.24 0.00 0.00 0.00 174.94 173.97 1e4j h ASP 56 N 8.06 0.86 -2.16 3.58 2.03 -1.86 -1.51 116.42 125.43 1e4j h ASP 56 Ca -0.17 -0.23 -0.36 0.00 -0.73 0.00 0.00 57.03 55.54 1e4j h ASP 56 Cb 1.06 -0.23 -0.33 0.00 -0.83 0.00 0.00 39.33 39.00 1e4j h ASP 56 CO 0.63 0.87 -0.66 0.00 -1.03 0.00 0.00 179.24 179.05 1e4j s ALA 57 N -5.31 -0.34 0.34 4.15 0.00 -1.26 -3.95 121.76 115.39 1e4j s ALA 57 Ca -0.13 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1e4j s ALA 57 Cb 0.13 -1.82 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 1e4j s ALA 57 CO 0.81 -1.81 1.54 0.00 0.00 0.00 0.00 175.76 176.30 1e4j s ALA 58 N 2.11 3.65 0.46 0.00 0.00 -0.34 -4.67 121.76 122.97 1e4j s ALA 58 Ca 0.11 1.57 0.05 0.00 0.00 0.00 0.00 51.96 53.70 1e4j s ALA 58 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1e4j s ALA 58 CO -0.26 -1.02 0.10 0.95 0.00 0.00 0.00 175.76 175.52 1e4j s THR 59 N -0.61 1.80 0.30 0.00 -4.23 -1.26 -1.64 115.64 110.00 1e4j s THR 59 Ca 0.58 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 59.48 1e4j s THR 59 Cb -0.47 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 70.97 1e4j s THR 59 CO 0.56 0.00 1.96 0.58 -0.54 0.00 0.00 174.62 177.18 1e4j h VAL 60 N 1.43 0.59 0.00 2.29 2.07 -1.95 -2.66 116.25 118.02 1e4j h VAL 60 Ca -0.43 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1e4j h VAL 60 Cb 1.27 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1e4j h VAL 60 CO 0.73 0.18 0.00 0.59 0.02 0.00 0.00 177.57 179.09 1e4j n ASN 61 N -3.54 0.00 -0.36 0.57 5.03 -1.26 -2.65 115.26 113.06 1e4j n ASN 61 Ca -0.01 0.33 0.13 0.00 0.87 0.00 0.00 54.58 55.91 1e4j n ASN 61 Cb 0.33 -0.43 0.40 0.00 -1.02 0.00 0.00 39.78 39.05 1e4j n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1e4j n ASP 62 N -1.43 1.29 -4.78 6.41 8.00 -1.00 -4.93 116.55 120.10 1e4j n ASP 62 Ca 0.07 -1.15 -0.34 0.00 0.71 0.00 0.00 54.79 54.08 1e4j n ASP 62 Cb 0.23 0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1e4j n ASP 62 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1e4j s SER 63 N -2.33 5.65 0.00 -2.24 0.01 -1.08 -4.90 113.70 108.81 1e4j s SER 63 Ca 0.28 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.59 1e4j s SER 63 Cb 0.20 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1e4j s SER 63 CO 0.46 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1e4j n GLY 64 N -0.23 0.76 3.81 3.44 0.00 0.15 -4.95 105.19 108.18 1e4j n GLY 64 Ca 0.11 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 1e4j n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1e4j s GLU 65 N -1.35 4.05 -0.08 1.61 2.02 -1.26 -1.13 118.70 122.56 1e4j s GLU 65 Ca 0.00 0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.54 1e4j s GLU 65 Cb 0.00 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1e4j s GLU 65 CO 0.00 0.61 -0.20 0.71 0.02 0.00 0.00 175.26 176.40 1e4j s TYR 66 N -0.88 2.16 0.13 1.61 1.51 0.37 0.64 117.35 122.89 1e4j s TYR 66 Ca 0.25 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1e4j s TYR 66 Cb -0.17 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1e4j s TYR 66 CO 0.15 -0.34 -0.12 1.03 -1.11 0.00 0.00 175.55 175.16 1e4j s ARG 67 N 0.37 1.01 0.04 -0.62 0.52 -0.35 -2.27 118.95 117.64 1e4j s ARG 67 Ca -0.15 -1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 53.63 1e4j s ARG 67 Cb -0.17 -0.72 0.01 0.00 0.52 0.00 0.00 34.95 34.59 1e4j s ARG 67 CO 0.07 0.12 0.26 0.00 0.02 0.00 0.00 175.30 175.76 1e4j s GLN 69 N -2.41 0.88 0.28 0.00 -2.07 -0.84 -1.64 119.66 113.87 1e4j s GLN 69 Ca -0.06 -0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.15 1e4j s GLN 69 Cb -0.02 0.39 -0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1e4j s GLN 69 CO -0.03 -0.29 0.01 0.25 -1.32 0.00 0.00 175.29 173.91 1e4j n THR 70 N 0.62 0.00 0.14 3.63 -2.24 -0.98 -0.93 114.28 114.52 1e4j n THR 70 Ca -0.19 -1.35 -0.01 0.00 -2.27 0.00 0.00 64.05 60.23 1e4j n THR 70 Cb 0.59 0.29 0.18 0.00 -2.10 0.00 0.00 70.33 69.29 1e4j n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1e4j h ASN 71 N 0.71 0.00 -0.01 3.42 7.08 -1.81 -3.27 115.58 121.70 1e4j h ASN 71 Ca -0.23 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.99 1e4j h ASN 71 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.95 1e4j h ASN 71 CO 0.38 0.61 -0.37 0.18 -2.08 0.00 0.00 177.43 176.15 1e4j n LEU 72 N -3.78 1.62 -4.16 6.14 4.77 -1.24 -4.92 117.00 115.43 1e4j n LEU 72 Ca -0.01 -0.75 -0.30 0.00 -0.03 0.00 0.00 56.01 54.91 1e4j n LEU 72 Cb 0.61 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 1e4j n LEU 72 CO 0.42 0.31 -0.53 -0.44 -1.33 0.00 0.00 177.39 175.82 1e4j s SER 73 N -1.97 2.76 0.78 -1.43 0.01 -1.23 -4.55 113.70 108.07 1e4j s SER 73 Ca 0.13 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.78 1e4j s SER 73 Cb 0.13 -1.27 0.06 0.00 0.21 0.00 0.00 66.02 65.16 1e4j s SER 73 CO 0.43 0.11 1.09 0.42 0.41 0.00 0.00 173.24 175.70 1e4j s THR 74 N 0.54 3.24 -0.05 1.44 -4.23 -0.97 -2.32 115.64 113.29 1e4j s THR 74 Ca -0.15 0.40 -0.38 0.00 -1.18 0.00 0.00 61.69 60.38 1e4j s THR 74 Cb -0.17 -3.14 -0.17 0.00 1.34 0.00 0.00 72.50 70.37 1e4j s THR 74 CO 0.05 -0.53 1.44 -0.11 -0.54 0.00 0.00 174.62 174.94 1e4j n LEU 75 N -3.39 1.70 -4.77 4.79 7.94 -1.26 -2.19 117.00 119.82 1e4j n LEU 75 Ca 0.07 1.11 -0.30 0.00 -1.11 0.00 0.00 56.01 55.79 1e4j n LEU 75 Cb 0.56 -1.14 0.11 0.00 0.53 0.00 0.00 43.42 43.48 1e4j n LEU 75 CO 0.56 -0.94 0.70 -0.94 -1.11 0.00 0.00 177.39 175.66 1e4j s SER 76 N 1.42 4.07 0.55 1.96 1.04 -0.65 -4.65 113.70 117.44 1e4j s SER 76 Ca 0.90 1.36 -0.18 0.00 0.48 0.00 0.00 55.95 58.51 1e4j s SER 76 Cb -1.04 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 62.96 1e4j s SER 76 CO 0.54 -2.24 1.09 -1.81 0.98 0.00 0.00 173.24 171.80 1e4j s ASP 77 N -3.73 5.82 0.39 7.02 1.01 -1.26 -4.72 116.67 121.20 1e4j s ASP 77 Ca 0.62 2.00 -0.27 0.00 0.71 0.00 0.00 52.55 55.62 1e4j s ASP 77 Cb -0.16 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.12 1e4j s ASP 77 CO 0.55 -1.14 1.30 -2.84 0.21 0.00 0.00 175.17 173.25 1e4j s PRO 78 N -3.55 4.06 -0.14 8.23 0.02 -1.26 -4.76 135.00 137.60 1e4j s PRO 78 Ca 0.68 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.88 1e4j s PRO 78 Cb -0.20 -2.83 0.02 0.00 0.02 0.00 0.00 34.50 31.51 1e4j s PRO 78 CO 0.29 -0.42 -0.17 0.08 -0.33 0.00 0.00 177.00 176.46 1e4j s VAL 79 N -1.24 1.71 -0.08 3.83 1.01 -0.96 -4.94 120.40 119.73 1e4j s VAL 79 Ca 0.55 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1e4j s VAL 79 Cb -0.38 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1e4j s VAL 79 CO 0.50 0.48 0.36 -1.58 0.00 0.00 0.00 175.10 174.85 1e4j s GLN 80 N 1.20 4.04 -0.09 2.72 0.74 -1.26 -0.48 119.66 126.53 1e4j s GLN 80 Ca -0.00 0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.70 1e4j s GLN 80 Cb -0.14 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.67 1e4j s GLN 80 CO -0.07 0.48 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.81 1e4j s LEU 81 N -0.33 1.80 -0.07 3.68 2.96 -0.29 -4.78 118.68 121.65 1e4j s LEU 81 Ca 0.21 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1e4j s LEU 81 Cb -0.15 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 1e4j s LEU 81 CO 0.09 0.07 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.37 1e4j s GLU 82 N 0.66 2.74 -0.17 1.98 2.02 -0.62 -0.67 118.70 124.64 1e4j s GLU 82 Ca -0.14 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1e4j s GLU 82 Cb -0.16 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.79 1e4j s GLU 82 CO 0.04 0.38 -0.20 0.08 0.02 0.00 0.00 175.26 175.58 1e4j s VAL 83 N -0.13 2.02 0.34 2.63 1.01 -1.26 -0.62 120.40 124.40 1e4j s VAL 83 Ca -0.03 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1e4j s VAL 83 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1e4j s VAL 83 CO 0.04 0.53 0.22 -1.00 0.00 0.00 0.00 175.10 174.89 1e4j s HIS 84 N 1.26 2.79 -0.16 5.22 3.76 0.05 -4.81 115.29 123.39 1e4j s HIS 84 Ca 0.04 -0.36 -0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1e4j s HIS 84 Cb -0.13 -1.73 0.04 0.00 1.11 0.00 0.00 32.58 31.86 1e4j s HIS 84 CO -0.12 0.25 -0.06 0.42 -0.85 0.00 0.00 174.74 174.38 1e4j s ILE 85 N -2.38 1.14 -0.09 0.60 1.01 -1.26 -1.14 121.20 119.08 1e4j s ILE 85 Ca 0.39 -0.61 -0.32 0.00 0.00 0.00 0.00 60.65 60.12 1e4j s ILE 85 Cb -0.04 -1.28 0.13 0.00 0.01 0.00 0.00 42.46 41.28 1e4j s ILE 85 CO 0.24 0.17 1.41 -0.83 0.00 0.00 0.00 174.94 175.94 1e4j s GLY 86 N 1.63 -0.40 0.11 6.18 0.00 -1.26 -5.02 107.32 108.56 1e4j s GLY 86 Ca 0.01 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.39 1e4j s GLY 86 CO -0.08 2.64 1.24 1.49 0.00 0.00 0.00 173.10 178.39 1e4j h TRP 87 N 2.00 0.39 -3.47 1.90 4.06 -1.95 -3.41 115.95 115.47 1e4j h TRP 87 Ca -0.29 -0.26 -0.38 0.00 2.06 0.00 0.00 58.89 60.03 1e4j h TRP 87 Cb 1.18 -0.03 -0.17 0.00 -1.00 0.00 0.00 29.16 29.15 1e4j h TRP 87 CO 0.71 1.15 -0.74 -0.51 -3.56 0.00 0.00 178.44 175.49 1e4j s LEU 88 N -7.23 2.46 -0.21 -4.49 1.43 -1.26 -1.84 118.68 107.53 1e4j s LEU 88 Ca -0.03 -0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 1e4j s LEU 88 Cb 0.08 -0.47 0.06 0.00 0.03 0.00 0.00 46.19 45.90 1e4j s LEU 88 CO 0.86 -0.22 0.51 -0.22 0.23 0.00 0.00 176.35 177.51 1e4j s LEU 89 N -2.75 -0.31 -0.35 1.79 2.96 0.15 -4.56 118.68 115.62 1e4j s LEU 89 Ca 0.12 1.10 -0.17 0.00 -0.22 0.00 0.00 54.13 54.96 1e4j s LEU 89 Cb -0.02 1.74 -0.01 0.00 0.50 0.00 0.00 46.19 48.40 1e4j s LEU 89 CO 0.02 -0.20 0.47 -0.22 -1.32 0.00 0.00 176.35 175.10 1e4j s LEU 90 N 1.21 4.37 0.08 -0.68 2.96 -1.26 -0.77 118.68 124.60 1e4j s LEU 90 Ca -0.07 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1e4j s LEU 90 Cb -0.06 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1e4j s LEU 90 CO -0.12 -0.43 0.17 -1.10 -1.32 0.00 0.00 176.35 173.54 1e4j s GLN 91 N 2.28 3.21 0.08 1.98 -0.21 0.15 -4.95 119.66 122.20 1e4j s GLN 91 Ca 0.17 -0.57 -0.17 0.00 0.02 0.00 0.00 55.36 54.80 1e4j s GLN 91 Cb -0.16 -2.90 0.04 0.00 1.00 0.00 0.00 33.01 30.99 1e4j s GLN 91 CO 0.13 0.58 0.41 0.00 -2.12 0.00 0.00 175.29 174.28 1e4j s ALA 92 N -1.50 -0.97 0.18 6.09 0.00 -1.26 -1.99 121.76 122.30 1e4j s ALA 92 Ca 0.33 0.14 0.17 0.00 0.00 0.00 0.00 51.96 52.59 1e4j s ALA 92 Cb -0.12 0.51 0.58 0.00 0.00 0.00 0.00 23.12 24.08 1e4j s ALA 92 CO 0.26 -0.54 1.69 -1.35 0.00 0.00 0.00 175.76 175.82 1e4j h PRO 93 N 2.71 0.00 -2.85 0.00 0.11 -1.79 -3.22 132.00 126.96 1e4j h PRO 93 Ca -0.33 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.87 1e4j h PRO 93 Cb 1.23 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1e4j h PRO 93 CO 0.45 0.43 0.29 -0.98 -0.21 0.00 0.00 178.00 177.99 1e4j s ARG 94 N -3.57 1.68 0.00 1.05 1.70 -1.26 -4.50 118.95 114.04 1e4j s ARG 94 Ca -0.00 -0.94 0.15 0.00 -0.47 0.00 0.00 55.73 54.47 1e4j s ARG 94 Cb 0.11 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 1e4j s ARG 94 CO 0.71 -0.77 0.78 -2.67 -1.08 0.00 0.00 175.30 172.27 1e4j n TRP 95 N -0.47 0.00 -4.36 5.89 2.14 -1.26 -4.91 117.44 114.48 1e4j n TRP 95 Ca -0.05 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.22 1e4j n TRP 95 Cb 0.59 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.93 1e4j n TRP 95 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1e4j s VAL 96 N -1.88 1.68 0.24 -1.67 1.01 -1.26 -1.17 120.40 117.35 1e4j s VAL 96 Ca 0.11 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1e4j s VAL 96 Cb 0.12 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1e4j s VAL 96 CO 0.41 0.48 -0.11 -0.36 0.00 0.00 0.00 175.10 175.52 1e4j s PHE 97 N 1.11 1.83 0.51 5.22 0.40 -0.26 -4.99 117.98 121.81 1e4j s PHE 97 Ca -0.03 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1e4j s PHE 97 Cb -0.14 -0.94 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1e4j s PHE 97 CO -0.05 0.33 0.71 0.21 0.70 0.00 0.00 175.22 177.12 1e4j s LYS 98 N -3.68 2.57 0.27 0.44 2.20 -1.26 -1.01 119.74 119.27 1e4j s LYS 98 Ca 0.26 -1.05 -0.26 0.00 -0.36 0.00 0.00 55.97 54.55 1e4j s LYS 98 Cb 0.01 -2.59 -0.09 0.00 -1.51 0.00 0.00 37.83 33.64 1e4j s LYS 98 CO 0.09 -0.61 0.90 -2.00 -0.36 0.00 0.00 175.35 173.37 1e4j s GLU 99 N -4.62 4.62 -0.43 4.03 2.12 -0.26 -3.32 118.70 120.83 1e4j s GLU 99 Ca 0.57 1.30 0.00 0.00 0.36 0.00 0.00 54.97 57.21 1e4j s GLU 99 Cb -0.09 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1e4j s GLU 99 CO 0.37 0.39 0.00 0.39 -0.54 0.00 0.00 175.26 175.87 1e4j n GLU 100 N 0.95 -0.47 -3.72 4.30 1.02 -0.04 -4.93 120.64 117.75 1e4j n GLU 100 Ca -0.00 0.53 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 1e4j n GLU 100 Cb 0.49 -4.18 -0.05 0.00 -0.02 0.00 0.00 31.44 27.68 1e4j n GLU 100 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1e4j s ASP 101 N -2.63 6.49 0.14 1.62 1.11 -1.21 -4.58 116.67 117.61 1e4j s ASP 101 Ca 0.00 0.56 -0.30 0.00 0.18 0.00 0.00 52.55 52.99 1e4j s ASP 101 Cb 0.00 -2.08 -0.07 0.00 1.07 0.00 0.00 42.92 41.84 1e4j s ASP 101 CO 0.00 0.13 0.98 -2.84 1.18 0.00 0.00 175.17 174.62 1e4j s PRO 102 N -2.33 4.71 -0.22 8.23 0.02 -1.21 -1.00 135.00 143.20 1e4j s PRO 102 Ca 0.36 1.50 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 1e4j s PRO 102 Cb -0.13 -3.35 0.02 0.00 0.02 0.00 0.00 34.50 31.07 1e4j s PRO 102 CO 0.22 0.25 -0.11 0.42 -0.33 0.00 0.00 177.00 177.45 1e4j s ILE 103 N -0.24 2.64 -0.35 2.83 1.01 0.30 -4.99 121.20 122.40 1e4j s ILE 103 Ca 0.46 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1e4j s ILE 103 Cb -0.25 -2.25 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1e4j s ILE 103 CO 0.31 0.36 0.12 -2.28 0.00 0.00 0.00 174.94 173.44 1e4j s HIS 104 N 1.33 3.33 0.00 3.97 2.46 -1.26 -1.20 115.29 123.92 1e4j s HIS 104 Ca 0.03 -1.74 0.01 0.00 0.47 0.00 0.00 55.06 53.82 1e4j s HIS 104 Cb -0.15 -2.51 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 1e4j s HIS 104 CO -0.07 -0.81 0.04 -0.51 -2.47 0.00 0.00 174.74 170.92 1e4j s LEU 105 N 1.32 3.72 -0.03 8.88 1.43 0.05 -4.30 118.68 129.75 1e4j s LEU 105 Ca -0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1e4j s LEU 105 Cb -0.21 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1e4j s LEU 105 CO 0.00 0.27 0.00 -0.60 0.23 0.00 0.00 176.35 176.25 1e4j s ARG 106 N -1.70 0.26 -0.68 1.70 3.52 -0.84 -0.66 118.95 120.55 1e4j s ARG 106 Ca 0.22 0.07 -0.16 0.00 -0.13 0.00 0.00 55.73 55.72 1e4j s ARG 106 Cb -0.12 -0.43 0.15 0.00 -1.56 0.00 0.00 34.95 33.00 1e4j s ARG 106 CO 0.13 -0.12 0.70 0.00 -0.81 0.00 0.00 175.30 175.20 1e4j s HIS 108 N 1.54 3.38 0.31 0.00 2.46 0.05 -4.94 115.29 118.09 1e4j s HIS 108 Ca 0.13 0.64 0.06 0.00 0.47 0.00 0.00 55.06 56.35 1e4j s HIS 108 Cb -0.20 -2.53 -0.02 0.00 -0.13 0.00 0.00 32.58 29.70 1e4j s HIS 108 CO -0.01 -0.00 0.44 -1.54 -2.47 0.00 0.00 174.74 171.16 1e4j s SER 109 N 1.02 6.10 0.77 9.88 1.04 -1.26 -0.67 113.70 130.58 1e4j s SER 109 Ca 0.20 -0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 1e4j s SER 109 Cb -0.15 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1e4j s SER 109 CO 0.08 -0.31 0.72 1.87 0.98 0.00 0.00 173.24 176.58 1e4j n TRP 110 N -1.58 -0.23 -1.70 5.02 -0.00 -0.77 -4.88 117.44 113.30 1e4j n TRP 110 Ca -0.03 0.35 -0.44 0.00 -0.00 0.00 0.00 57.50 57.38 1e4j n TRP 110 Cb 0.58 -1.96 -0.03 0.00 -0.00 0.00 0.00 31.31 29.89 1e4j n TRP 110 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1e4j n LYS 111 N -1.54 2.36 -0.98 5.87 4.81 -1.26 -2.29 118.16 125.12 1e4j n LYS 111 Ca 0.11 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1e4j n LYS 111 Cb 0.50 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1e4j n LYS 111 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1e4j n ASN 112 N 2.85 -3.82 -4.67 3.14 3.02 -1.26 -5.02 115.26 109.50 1e4j n ASN 112 Ca 0.13 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.37 1e4j n ASN 112 Cb 0.32 -1.63 -0.09 0.00 -0.61 0.00 0.00 39.78 37.78 1e4j n ASN 112 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1e4j s THR 113 N -1.71 3.99 0.01 3.41 -4.23 -0.97 -5.12 115.64 111.02 1e4j s THR 113 Ca 0.00 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1e4j s THR 113 Cb 0.00 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1e4j s THR 113 CO 0.00 0.23 -0.03 0.00 -0.54 0.00 0.00 174.62 174.28 1e4j s ALA 114 N -1.20 3.16 0.01 3.99 0.00 -1.26 -4.77 121.76 121.69 1e4j s ALA 114 Ca 0.23 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1e4j s ALA 114 Cb -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1e4j s ALA 114 CO 0.14 0.64 -0.25 -1.17 0.00 0.00 0.00 175.76 175.12 1e4j s LEU 115 N -1.56 2.10 0.12 0.00 2.96 -1.26 -4.16 118.68 116.88 1e4j s LEU 115 Ca 0.19 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1e4j s LEU 115 Cb -0.11 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1e4j s LEU 115 CO 0.10 0.27 0.17 -1.38 -1.32 0.00 0.00 176.35 174.19 1e4j s HIS 116 N -0.67 0.47 -1.25 5.38 -3.43 -0.77 -3.59 115.29 111.42 1e4j s HIS 116 Ca 0.10 -0.87 -0.00 0.00 -0.80 0.00 0.00 55.06 53.49 1e4j s HIS 116 Cb -0.10 -0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 30.85 1e4j s HIS 116 CO 0.00 -0.59 0.84 1.63 -2.00 0.00 0.00 174.74 174.63 1e4j n LYS 117 N -0.11 -5.73 -2.68 -0.38 5.02 0.26 -0.94 118.16 113.60 1e4j n LYS 117 Ca -0.10 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 1e4j n LYS 117 Cb 0.63 -5.51 -0.04 0.00 -0.02 0.00 0.00 35.03 30.09 1e4j n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1e4j s VAL 118 N -3.52 4.45 -0.08 -0.18 1.01 -0.45 -4.30 120.40 117.33 1e4j s VAL 118 Ca 0.00 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.97 1e4j s VAL 118 Cb -0.00 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1e4j s VAL 118 CO 0.77 0.27 -0.10 -0.89 0.00 0.00 0.00 175.10 175.16 1e4j s THR 119 N 0.19 1.01 -0.23 3.92 2.01 0.40 -1.04 115.64 121.90 1e4j s THR 119 Ca 0.49 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 1e4j s THR 119 Cb -0.24 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1e4j s THR 119 CO 0.30 0.34 0.14 -0.31 -0.69 0.00 0.00 174.62 174.40 1e4j s TYR 120 N 1.00 3.32 0.07 4.92 1.51 -0.23 -1.22 117.35 126.72 1e4j s TYR 120 Ca -0.08 0.21 0.10 0.00 -1.01 0.00 0.00 57.07 56.28 1e4j s TYR 120 Cb -0.15 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1e4j s TYR 120 CO -0.00 0.10 -0.27 -0.51 -1.11 0.00 0.00 175.55 173.76 1e4j s LEU 121 N 0.90 2.22 -0.09 -1.29 1.02 -0.21 -0.62 118.68 120.61 1e4j s LEU 121 Ca 0.07 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 53.59 1e4j s LEU 121 Cb -0.13 -1.27 0.02 0.00 0.02 0.00 0.00 46.19 44.83 1e4j s LEU 121 CO 0.03 0.23 -0.10 -1.58 0.02 0.00 0.00 176.35 174.96 1e4j s GLN 122 N -1.50 1.62 -1.50 1.70 0.74 0.20 -2.54 119.66 118.37 1e4j s GLN 122 Ca 0.12 -0.33 -0.09 0.00 0.05 0.00 0.00 55.36 55.11 1e4j s GLN 122 Cb -0.10 -1.50 0.07 0.00 1.10 0.00 0.00 33.01 32.57 1e4j s GLN 122 CO 0.03 -0.13 0.77 0.09 -0.55 0.00 0.00 175.29 175.50 1e4j n ASN 123 N 4.40 -2.84 0.00 6.67 3.02 -0.02 -1.44 115.26 125.04 1e4j n ASN 123 Ca -0.18 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1e4j n ASN 123 Cb 0.51 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 1e4j n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e4j n GLY 124 N -1.67 2.53 3.69 7.41 0.00 -1.26 -5.01 105.19 110.88 1e4j n GLY 124 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1e4j n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e4j s LYS 125 N -0.01 2.92 0.18 1.61 1.02 -0.52 -5.06 119.74 119.87 1e4j s LYS 125 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 1e4j s LYS 125 Cb 0.00 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 1e4j s LYS 125 CO 0.00 0.67 1.63 -0.51 -0.92 0.00 0.00 175.35 176.22 1e4j s ASP 126 N -1.16 6.51 -0.21 2.83 1.11 -1.26 -0.63 116.67 123.86 1e4j s ASP 126 Ca 0.16 2.70 -0.09 0.00 0.18 0.00 0.00 52.55 55.50 1e4j s ASP 126 Cb -0.11 -2.59 -0.10 0.00 1.07 0.00 0.00 42.92 41.19 1e4j s ASP 126 CO 0.06 -0.88 -0.26 0.54 1.18 0.00 0.00 175.17 175.81 1e4j n ARG 127 N 4.04 0.45 -3.71 8.23 5.12 0.21 -4.87 116.66 126.13 1e4j n ARG 127 Ca 0.15 0.19 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 1e4j n ARG 127 Cb 0.37 -1.27 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 1e4j n ARG 127 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1e4j s LYS 128 N -2.39 0.52 0.02 5.56 2.20 -1.16 -5.02 119.74 119.46 1e4j s LYS 128 Ca -0.29 0.68 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 1e4j s LYS 128 Cb 0.11 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 1e4j s LYS 128 CO 0.38 -0.08 -0.09 -0.47 -0.36 0.00 0.00 175.35 174.73 1e4j s TYR 129 N 0.47 2.82 -0.02 4.03 5.04 -1.26 -1.07 117.35 127.36 1e4j s TYR 129 Ca -0.02 -0.09 -0.01 0.00 -2.44 0.00 0.00 57.07 54.51 1e4j s TYR 129 Cb -0.04 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.72 1e4j s TYR 129 CO -0.02 0.35 0.04 -0.06 -1.34 0.00 0.00 175.55 174.52 1e4j s PHE 130 N -1.00 -0.02 0.10 4.97 0.08 -0.21 -5.02 117.98 116.88 1e4j s PHE 130 Ca 0.17 0.12 -0.13 0.00 0.12 0.00 0.00 56.93 57.21 1e4j s PHE 130 Cb -0.11 -0.07 -0.13 0.00 -0.57 0.00 0.00 43.02 42.14 1e4j s PHE 130 CO 0.08 -0.05 1.34 0.45 -0.10 0.00 0.00 175.22 176.94 1e4j h HIS 131 N 6.56 1.04 -2.89 0.36 3.86 -1.95 -1.18 115.15 120.96 1e4j h HIS 131 Ca -0.32 -0.42 -0.62 0.00 -1.16 0.00 0.00 60.37 57.85 1e4j h HIS 131 Cb 1.18 -0.18 -0.15 0.00 1.06 0.00 0.00 27.41 29.32 1e4j h HIS 131 CO 0.44 1.24 -0.74 -1.01 0.86 0.00 0.00 177.93 178.72 1e4j s HIS 132 N -3.93 2.54 -0.42 2.45 3.76 -1.26 -0.58 115.29 117.86 1e4j s HIS 132 Ca -0.11 -0.26 -0.27 0.00 -0.15 0.00 0.00 55.06 54.27 1e4j s HIS 132 Cb 0.09 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 1e4j s HIS 132 CO 0.89 0.54 2.14 1.21 -0.85 0.00 0.00 174.74 178.66 1e4j s ASN 133 N -2.94 5.12 0.22 1.40 2.47 -1.24 -4.82 114.94 115.15 1e4j s ASN 133 Ca 0.25 1.17 0.08 0.00 0.42 0.00 0.00 52.86 54.78 1e4j s ASN 133 Cb -0.08 -2.51 -0.05 0.00 -1.45 0.00 0.00 41.25 37.16 1e4j s ASN 133 CO 0.15 -2.34 -0.13 -0.44 -3.72 0.00 0.00 177.10 170.62 1e4j s SER 134 N 9.27 2.60 0.71 -4.21 0.01 -1.26 -5.11 113.70 115.70 1e4j s SER 134 Ca 0.89 -1.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.00 1e4j s SER 134 Cb -0.21 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1e4j s SER 134 CO 0.29 -0.19 1.08 -1.81 0.41 0.00 0.00 173.24 173.02 1e4j s ASP 135 N -3.33 5.31 -0.23 2.44 1.01 -1.26 -4.68 116.67 115.92 1e4j s ASP 135 Ca 0.24 1.01 -0.02 0.00 0.71 0.00 0.00 52.55 54.49 1e4j s ASP 135 Cb -0.00 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.17 1e4j s ASP 135 CO 0.08 -1.40 -0.08 0.12 0.21 0.00 0.00 175.17 174.10 1e4j s PHE 136 N -3.35 3.00 -0.14 4.23 5.36 0.17 -5.01 117.98 122.25 1e4j s PHE 136 Ca 0.58 -1.47 -0.02 0.00 -0.96 0.00 0.00 56.93 55.06 1e4j s PHE 136 Cb -0.11 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1e4j s PHE 136 CO 0.50 -0.71 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.49 1e4j s HIS 137 N 1.34 2.98 -0.41 10.12 3.76 -1.26 -0.77 115.29 131.06 1e4j s HIS 137 Ca 0.02 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1e4j s HIS 137 Cb -0.16 -1.90 0.12 0.00 1.11 0.00 0.00 32.58 31.75 1e4j s HIS 137 CO -0.06 0.01 0.16 0.42 -0.85 0.00 0.00 174.74 174.42 1e4j s ILE 138 N 0.15 1.85 0.25 0.60 1.01 -0.34 -5.02 121.20 119.71 1e4j s ILE 138 Ca -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 60.65 58.12 1e4j s ILE 138 Cb -0.14 -2.33 0.24 0.00 0.01 0.00 0.00 42.46 40.24 1e4j s ILE 138 CO 0.03 -0.75 1.85 -0.65 0.00 0.00 0.00 174.94 175.43 1e4j h PRO 139 N 7.18 0.97 -4.12 2.79 0.11 -1.88 0.88 132.00 137.92 1e4j h PRO 139 Ca -0.06 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.41 1e4j h PRO 139 Cb 0.96 -0.22 -0.38 0.00 0.11 0.00 0.00 31.00 31.47 1e4j h PRO 139 CO 0.55 0.64 -0.78 0.15 -0.21 0.00 0.00 178.00 178.34 1e4j s LYS 140 N -6.04 1.36 0.22 1.05 1.02 -1.26 -3.29 119.74 112.80 1e4j s LYS 140 Ca -0.12 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1e4j s LYS 140 Cb 0.20 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 35.06 1e4j s LYS 140 CO 0.80 -0.57 1.06 0.00 -0.92 0.00 0.00 175.35 175.71 1e4j s ALA 141 N 1.55 3.37 0.51 5.17 0.00 -0.17 -4.84 121.76 127.35 1e4j s ALA 141 Ca -0.03 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1e4j s ALA 141 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1e4j s ALA 141 CO -0.07 -0.10 0.20 0.95 0.00 0.00 0.00 175.76 176.74 1e4j s THR 142 N -0.73 1.58 -0.76 0.00 -4.23 -1.26 -0.86 115.64 109.38 1e4j s THR 142 Ca 0.46 -1.73 0.25 0.00 -1.18 0.00 0.00 61.69 59.49 1e4j s THR 142 Cb -0.29 -2.31 0.25 0.00 1.34 0.00 0.00 72.50 71.48 1e4j s THR 142 CO 0.36 0.00 1.76 -0.11 -0.54 0.00 0.00 174.62 176.10 1e4j n LEU 143 N -1.47 0.52 0.16 4.79 7.94 -1.26 -2.46 117.00 125.22 1e4j n LEU 143 Ca -0.08 0.57 0.13 0.00 -1.11 0.00 0.00 56.01 55.52 1e4j n LEU 143 Cb 0.65 -0.44 0.36 0.00 0.53 0.00 0.00 43.42 44.53 1e4j n LEU 143 CO 0.40 -0.23 0.87 0.11 -1.11 0.00 0.00 177.39 177.42 1e4j h LYS 144 N 0.00 0.00 -0.00 1.96 1.57 -2.00 -3.23 116.57 114.87 1e4j h LYS 144 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1e4j h LYS 144 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1e4j h LYS 144 CO 0.00 0.00 -0.01 -0.25 -0.57 0.00 0.00 179.45 178.62 1e4j n ASP 145 N -2.63 0.31 -4.76 0.86 8.00 -1.03 -4.88 116.55 112.42 1e4j n ASP 145 Ca 0.04 -0.93 -0.39 0.00 0.71 0.00 0.00 54.79 54.22 1e4j n ASP 145 Cb 0.43 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 1e4j n ASP 145 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1e4j s SER 146 N -2.13 7.54 0.00 -2.24 1.04 -1.22 -4.92 113.70 111.77 1e4j s SER 146 Ca 0.42 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1e4j s SER 146 Cb 0.21 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1e4j s SER 146 CO 0.39 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.34 1e4j n GLY 147 N 1.31 0.10 3.61 7.32 0.00 -0.53 -4.97 105.19 112.03 1e4j n GLY 147 Ca -0.02 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1e4j n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1e4j s SER 148 N -3.95 6.58 0.12 1.61 0.01 -1.26 -1.42 113.70 115.38 1e4j s SER 148 Ca 0.00 0.54 0.08 0.00 1.31 0.00 0.00 55.95 57.88 1e4j s SER 148 Cb 0.00 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1e4j s SER 148 CO 0.00 -0.55 -0.12 -0.31 0.41 0.00 0.00 173.24 172.67 1e4j s TYR 149 N 2.79 2.67 0.07 2.43 1.51 -0.26 -0.84 117.35 125.71 1e4j s TYR 149 Ca 0.29 -0.19 -0.26 0.00 -1.01 0.00 0.00 57.07 55.89 1e4j s TYR 149 Cb -0.14 -1.39 0.09 0.00 -0.11 0.00 0.00 41.96 40.40 1e4j s TYR 149 CO 0.12 0.42 0.76 -0.59 -1.11 0.00 0.00 175.55 175.15 1e4j s PHE 150 N -1.24 -0.43 0.06 2.71 -0.71 -1.05 -1.27 117.98 116.04 1e4j s PHE 150 Ca 0.21 0.27 0.07 0.00 -1.04 0.00 0.00 56.93 56.45 1e4j s PHE 150 Cb -0.11 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1e4j s PHE 150 CO 0.13 -0.68 -0.20 0.00 -1.34 0.00 0.00 175.22 173.13 1e4j s ARG 152 N -1.35 1.15 0.12 0.00 3.52 -0.35 -1.59 118.95 120.45 1e4j s ARG 152 Ca 0.07 -0.71 -0.10 0.00 -0.13 0.00 0.00 55.73 54.86 1e4j s ARG 152 Cb -0.09 -1.16 0.04 0.00 -1.56 0.00 0.00 34.95 32.18 1e4j s ARG 152 CO 0.02 0.30 0.50 0.41 -0.81 0.00 0.00 175.30 175.73 1e4j n GLY 153 N 2.21 1.08 3.33 8.12 0.00 -0.78 -0.45 105.19 118.69 1e4j n GLY 153 Ca -0.16 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1e4j n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e4j s LEU 154 N 0.00 2.75 -0.91 0.99 2.01 -0.12 -1.82 118.68 121.58 1e4j s LEU 154 Ca 0.11 -0.38 -0.06 0.00 0.01 0.00 0.00 54.13 53.81 1e4j s LEU 154 Cb -0.02 -1.66 0.23 0.00 0.01 0.00 0.00 46.19 44.75 1e4j s LEU 154 CO 0.04 0.07 0.82 -0.69 1.01 0.00 0.00 176.35 177.60 1e4j s VAL 155 N 0.90 4.93 0.00 -1.59 1.01 -0.33 -1.85 120.40 123.47 1e4j s VAL 155 Ca -0.02 -3.39 0.00 0.00 0.00 0.00 0.00 61.98 58.57 1e4j s VAL 155 Cb -0.15 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1e4j s VAL 155 CO 0.00 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.63 1e4j n GLY 156 N 2.86 2.07 0.03 4.51 0.00 -1.26 -2.69 105.19 110.71 1e4j n GLY 156 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1e4j n GLY 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1e4j n SER 157 N 6.18 2.89 -4.67 1.61 3.41 -1.26 -5.01 113.62 116.77 1e4j n SER 157 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1e4j n SER 157 Cb 0.00 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1e4j n SER 157 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1e4j s LYS 158 N -2.32 4.18 -0.58 4.33 1.02 -1.10 -4.98 119.74 120.30 1e4j s LYS 158 Ca -0.04 2.27 -0.21 0.00 0.02 0.00 0.00 55.97 58.01 1e4j s LYS 158 Cb 0.03 -3.94 0.07 0.00 -0.52 0.00 0.00 37.83 33.48 1e4j s LYS 158 CO 0.36 -0.83 0.79 1.21 -0.92 0.00 0.00 175.35 175.96 1e4j s ASN 159 N 3.30 6.21 0.04 2.83 3.84 -1.26 -1.18 114.94 128.72 1e4j s ASN 159 Ca 0.75 -1.00 0.09 0.00 0.21 0.00 0.00 52.86 52.91 1e4j s ASN 159 Cb -0.36 -2.35 -0.03 0.00 -0.55 0.00 0.00 41.25 37.96 1e4j s ASN 159 CO 0.32 -1.17 -0.26 0.68 -2.79 0.00 0.00 177.10 173.88 1e4j s VAL 160 N 3.26 2.06 0.19 -5.21 -7.23 -0.76 -5.01 120.40 107.71 1e4j s VAL 160 Ca 0.18 -1.35 0.10 0.00 -1.81 0.00 0.00 61.98 59.10 1e4j s VAL 160 Cb -0.19 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1e4j s VAL 160 CO 0.11 0.35 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.64 1e4j s SER 161 N -1.21 3.85 0.54 4.85 0.01 -1.26 -1.87 113.70 118.61 1e4j s SER 161 Ca 0.11 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.65 1e4j s SER 161 Cb -0.10 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.68 1e4j s SER 161 CO 0.02 0.11 0.76 -0.94 0.41 0.00 0.00 173.24 173.60 1e4j s SER 162 N -2.81 5.32 0.76 2.44 1.04 -0.62 -4.69 113.70 115.14 1e4j s SER 162 Ca 0.23 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1e4j s SER 162 Cb -0.08 -0.91 0.05 0.00 0.10 0.00 0.00 66.02 65.18 1e4j s SER 162 CO 0.13 -1.11 1.10 -1.61 0.98 0.00 0.00 173.24 172.73 1e4j s GLU 163 N -4.74 2.40 0.22 4.02 2.02 -1.26 -4.72 118.70 116.64 1e4j s GLU 163 Ca 0.57 0.58 -0.29 0.00 0.02 0.00 0.00 54.97 55.84 1e4j s GLU 163 Cb -0.10 -1.96 -0.09 0.00 0.10 0.00 0.00 34.13 32.08 1e4j s GLU 163 CO 0.38 -1.38 0.92 0.99 0.02 0.00 0.00 175.26 176.19 1e4j s THR 164 N -3.23 4.14 -0.13 3.63 2.01 -1.26 -4.66 115.64 116.14 1e4j s THR 164 Ca 0.60 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.66 1e4j s THR 164 Cb -0.13 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.08 1e4j s THR 164 CO 0.53 0.49 -0.22 -0.69 -0.69 0.00 0.00 174.62 174.04 1e4j s VAL 165 N -1.07 2.01 -0.41 3.82 1.01 -0.40 -4.97 120.40 120.39 1e4j s VAL 165 Ca 0.41 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1e4j s VAL 165 Cb -0.25 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1e4j s VAL 165 CO 0.31 0.54 0.37 0.20 0.00 0.00 0.00 175.10 176.52 1e4j s ASN 166 N 0.78 6.15 -0.19 3.32 -0.87 -1.26 -1.11 114.94 121.77 1e4j s ASN 166 Ca -0.08 -0.73 -0.13 0.00 -1.57 0.00 0.00 52.86 50.35 1e4j s ASN 166 Cb -0.16 -2.19 -0.05 0.00 -0.02 0.00 0.00 41.25 38.84 1e4j s ASN 166 CO -0.01 -0.49 0.28 -0.63 -2.57 0.00 0.00 177.10 173.68 1e4j s ILE 167 N 1.92 5.30 -0.14 0.60 1.01 -0.50 -4.82 121.20 124.56 1e4j s ILE 167 Ca 0.09 0.49 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 1e4j s ILE 167 Cb -0.18 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1e4j s ILE 167 CO 0.12 0.35 -0.04 -0.89 0.00 0.00 0.00 174.94 174.48 1e4j s THR 168 N 0.77 3.92 -0.19 2.92 2.01 -0.32 -1.45 115.64 123.29 1e4j s THR 168 Ca 0.15 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1e4j s THR 168 Cb -0.13 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1e4j s THR 168 CO 0.04 0.51 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 1e4j s ILE 169 N 0.13 3.09 0.32 1.82 -1.09 -1.26 -1.10 121.20 123.11 1e4j s ILE 169 Ca -0.01 -0.60 0.07 0.00 -2.23 0.00 0.00 60.65 57.88 1e4j s ILE 169 Cb -0.14 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 1e4j s ILE 169 CO 0.03 0.47 0.34 0.42 -1.23 0.00 0.00 174.94 174.96 1e4j s THR 170 N 1.14 3.82 -0.17 2.92 -4.23 -0.18 -4.97 115.64 113.97 1e4j s THR 170 Ca 0.01 -1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 59.11 1e4j s THR 170 Cb -0.14 -3.29 -0.22 0.00 1.34 0.00 0.00 72.50 70.18 1e4j s THR 170 CO -0.02 -0.19 0.27 0.00 -0.54 0.00 0.00 174.62 174.14 1e4j n GLN 171 N -1.43 0.65 0.00 3.99 6.02 -1.26 -1.11 117.38 124.24 1e4j n GLN 171 Ca -0.02 0.44 0.06 0.00 -0.01 0.00 0.00 57.00 57.47 1e4j n GLN 171 Cb 0.59 -1.73 0.05 0.00 1.02 0.00 0.00 30.24 30.17 1e4j n GLN 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46