#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1x n PRO 8 N 0.00 1.37 -4.06 4.33 -0.04 -1.26 -4.60 135.00 130.75 2h1x n PRO 8 Ca 0.00 -0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 62.61 2h1x n PRO 8 Cb 0.00 -1.29 -0.17 0.00 -0.04 0.00 0.00 33.50 32.00 2h1x n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2h1x s LEU 9 N -1.44 1.54 0.24 1.53 2.96 -1.26 -0.51 118.68 121.74 2h1x s LEU 9 Ca 0.26 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2h1x s LEU 9 Cb 0.13 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 2h1x s LEU 9 CO 0.20 -0.06 0.01 -0.94 -1.32 0.00 0.00 176.35 174.24 2h1x s SER 10 N 1.47 1.78 0.28 3.68 1.04 -0.52 -4.48 113.70 116.94 2h1x s SER 10 Ca 0.03 -1.24 0.04 0.00 0.48 0.00 0.00 55.95 55.26 2h1x s SER 10 Cb -0.13 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 2h1x s SER 10 CO -0.08 -0.54 0.21 0.28 0.98 0.00 0.00 173.24 174.09 2h1x s THR 11 N -3.45 0.03 -0.30 2.02 -1.32 -1.26 -0.76 115.64 110.60 2h1x s THR 11 Ca 0.29 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.68 2h1x s THR 11 Cb 0.06 -2.50 0.16 0.00 -1.51 0.00 0.00 72.50 68.71 2h1x s THR 11 CO 0.09 0.00 0.78 -2.28 -2.21 0.00 0.00 174.62 171.00 2h1x s HIS 12 N -3.74 -1.13 -0.20 9.09 2.46 -1.25 -4.31 115.29 116.20 2h1x s HIS 12 Ca 0.40 1.64 -0.09 0.00 0.47 0.00 0.00 55.06 57.47 2h1x s HIS 12 Cb 0.04 0.56 -0.05 0.00 -0.13 0.00 0.00 32.58 33.01 2h1x s HIS 12 CO 0.20 -0.59 0.12 0.08 -2.47 0.00 0.00 174.74 172.08 2h1x s VAL 13 N 2.77 5.19 -0.20 0.89 1.01 0.13 -0.55 120.40 129.66 2h1x s VAL 13 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2h1x s VAL 13 Cb -0.11 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.92 2h1x s VAL 13 CO -0.18 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 174.41 2h1x s LEU 14 N 0.54 2.40 -0.84 3.92 1.43 0.15 -0.25 118.68 126.03 2h1x s LEU 14 Ca 0.06 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.17 2h1x s LEU 14 Cb -0.12 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2h1x s LEU 14 CO 0.00 -0.03 1.42 0.21 0.23 0.00 0.00 176.35 178.18 2h1x s ASN 15 N 1.28 6.17 0.00 2.29 3.84 -0.06 -0.07 114.94 128.39 2h1x s ASN 15 Ca 0.03 -0.77 0.30 0.00 0.21 0.00 0.00 52.86 52.63 2h1x s ASN 15 Cb -0.14 -2.56 1.42 0.00 -0.55 0.00 0.00 41.25 39.42 2h1x s ASN 15 CO -0.11 -1.80 2.00 2.30 -2.79 0.00 0.00 177.10 176.70 2h1x n ILE 16 N 6.70 0.00 0.08 -5.21 -5.35 -0.37 -0.86 119.36 114.35 2h1x n ILE 16 Ca 0.17 -0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.56 2h1x n ILE 16 Cb 0.50 -0.43 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 2h1x n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2h1x h ALA 17 N 3.38 0.59 -0.01 -1.28 0.00 -1.89 -3.34 119.26 116.71 2h1x h ALA 17 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2h1x h ALA 17 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2h1x h ALA 17 CO 0.00 0.86 -0.09 1.04 0.00 0.00 0.00 179.25 181.06 2h1x n GLN 18 N -3.72 1.28 -2.37 0.00 6.02 -1.10 -5.00 117.38 112.49 2h1x n GLN 18 Ca -0.03 -0.75 -0.18 0.00 -0.01 0.00 0.00 57.00 56.03 2h1x n GLN 18 Cb 0.76 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 30.93 2h1x n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h1x n GLY 19 N 0.65 -0.35 3.17 1.08 0.00 -0.04 -5.01 105.19 104.68 2h1x n GLY 19 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2h1x n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h1x s VAL 20 N -2.89 0.91 0.70 1.61 -7.23 -1.02 -5.02 120.40 107.46 2h1x s VAL 20 Ca 0.01 -1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 2h1x s VAL 20 Cb -0.01 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.63 2h1x s VAL 20 CO 0.02 -0.56 1.27 -2.84 -0.31 0.00 0.00 175.10 172.68 2h1x s PRO 21 N -2.76 2.22 -0.61 4.82 0.02 -1.26 -0.88 135.00 136.54 2h1x s PRO 21 Ca 0.05 1.98 -0.24 0.00 0.02 0.00 0.00 61.00 62.81 2h1x s PRO 21 Cb -0.03 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.72 2h1x s PRO 21 CO -0.00 -1.83 0.99 0.20 -0.33 0.00 0.00 177.00 176.03 2h1x s GLY 22 N -1.63 1.33 0.14 0.52 0.00 0.66 -4.53 107.32 103.80 2h1x s GLY 22 Ca 0.80 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.99 2h1x s GLY 22 CO 0.44 2.13 0.44 0.00 0.00 0.00 0.00 173.10 176.11 2h1x s ALA 23 N 4.21 3.69 -1.44 3.20 0.00 -1.26 -4.30 121.76 125.86 2h1x s ALA 23 Ca 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2h1x s ALA 23 Cb -0.13 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2h1x s ALA 23 CO 0.16 0.57 0.11 0.09 0.00 0.00 0.00 175.76 176.69 2h1x n ASN 24 N 0.41 -5.13 -4.75 0.00 5.03 0.56 -4.94 115.26 106.44 2h1x n ASN 24 Ca -0.04 -0.06 -0.37 0.00 0.87 0.00 0.00 54.58 54.98 2h1x n ASN 24 Cb 0.52 -4.17 -0.07 0.00 -1.02 0.00 0.00 39.78 35.04 2h1x n ASN 24 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2h1x s MET 25 N -5.00 4.15 0.09 3.52 1.75 -1.26 -4.79 119.30 117.77 2h1x s MET 25 Ca 0.05 0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.32 2h1x s MET 25 Cb -0.02 -3.38 -0.06 0.00 2.84 0.00 0.00 34.83 34.21 2h1x s MET 25 CO 0.07 0.33 1.11 0.99 -0.65 0.00 0.00 175.02 176.87 2h1x s THR 26 N 0.16 4.17 -0.08 10.11 2.01 -1.26 -1.44 115.64 129.30 2h1x s THR 26 Ca 0.18 1.66 0.02 0.00 0.31 0.00 0.00 61.69 63.85 2h1x s THR 26 Cb -0.13 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.33 2h1x s THR 26 CO 0.05 0.19 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.42 2h1x s ILE 27 N 0.57 1.19 -0.14 1.82 1.01 -0.13 -1.41 121.20 124.10 2h1x s ILE 27 Ca 0.54 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2h1x s ILE 27 Cb -0.27 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 2h1x s ILE 27 CO 0.31 0.37 -0.17 -0.69 0.00 0.00 0.00 174.94 174.76 2h1x s VAL 28 N 0.89 2.58 -0.22 2.92 1.01 -0.11 -0.12 120.40 127.35 2h1x s VAL 28 Ca -0.10 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 2h1x s VAL 28 Cb -0.15 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2h1x s VAL 28 CO 0.01 0.53 0.22 -0.22 0.00 0.00 0.00 175.10 175.63 2h1x s LEU 29 N 0.68 4.15 0.27 3.92 2.96 -0.11 -0.99 118.68 129.56 2h1x s LEU 29 Ca -0.08 0.24 0.10 0.00 -0.22 0.00 0.00 54.13 54.17 2h1x s LEU 29 Cb -0.16 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 2h1x s LEU 29 CO 0.02 0.05 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.09 2h1x s HIS 30 N 0.97 2.66 -0.01 5.38 3.76 0.39 -0.34 115.29 128.10 2h1x s HIS 30 Ca 0.11 -0.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2h1x s HIS 30 Cb -0.13 -1.20 -0.01 0.00 1.11 0.00 0.00 32.58 32.35 2h1x s HIS 30 CO 0.04 0.62 -0.14 0.50 -0.85 0.00 0.00 174.74 174.91 2h1x s ARG 31 N -3.67 1.13 -0.04 1.40 3.52 -0.31 -1.97 118.95 119.01 2h1x s ARG 31 Ca 0.32 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 2h1x s ARG 31 Cb -0.06 -1.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 2h1x s ARG 31 CO 0.20 0.28 1.08 -1.17 -0.81 0.00 0.00 175.30 174.88 2h1x s LEU 32 N -0.28 4.30 -0.27 -0.88 2.96 -0.41 -1.70 118.68 122.40 2h1x s LEU 32 Ca 0.05 1.71 -0.26 0.00 -0.22 0.00 0.00 54.13 55.40 2h1x s LEU 32 Cb -0.06 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.08 2h1x s LEU 32 CO -0.00 -0.45 0.93 -0.62 -1.32 0.00 0.00 176.35 174.89 2h1x s ASP 33 N 1.18 6.88 0.23 3.68 -1.08 -0.70 -4.62 116.67 122.24 2h1x s ASP 33 Ca 0.53 1.03 -0.32 0.00 -0.52 0.00 0.00 52.55 53.27 2h1x s ASP 33 Cb -0.22 -2.48 -0.13 0.00 -1.46 0.00 0.00 42.92 38.63 2h1x s ASP 33 CO 0.23 -0.66 1.60 -0.81 0.52 0.00 0.00 175.17 176.05 2h1x n PRO 34 N 6.33 2.49 0.00 4.34 -0.04 -1.26 -3.14 135.00 143.72 2h1x n PRO 34 Ca 0.08 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 2h1x n PRO 34 Cb 0.47 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2h1x n PRO 34 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2h1x n VAL 35 N 2.99 0.00 -2.64 0.52 0.31 -1.26 -5.00 118.33 113.25 2h1x n VAL 35 Ca 0.13 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.06 2h1x n VAL 35 Cb 0.33 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.21 2h1x n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2h1x s SER 36 N -4.00 7.49 -0.12 4.52 1.04 -1.19 -4.93 113.70 116.51 2h1x s SER 36 Ca 0.00 2.07 -0.01 0.00 0.48 0.00 0.00 55.95 58.49 2h1x s SER 36 Cb 0.00 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.57 2h1x s SER 36 CO 0.00 0.02 2.08 -1.54 0.98 0.00 0.00 173.24 174.78 2h1x n SER 37 N 1.47 5.76 -4.63 7.02 3.41 -1.26 -4.08 113.62 121.31 2h1x n SER 37 Ca -0.01 -2.66 -0.31 0.00 -0.26 0.00 0.00 58.87 55.63 2h1x n SER 37 Cb 0.46 -1.12 -0.09 0.00 -0.26 0.00 0.00 64.21 63.20 2h1x n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1x s ALA 38 N -0.63 3.11 0.01 7.33 0.00 -1.26 -4.98 121.76 125.33 2h1x s ALA 38 Ca 0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 2h1x s ALA 38 Cb 0.10 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 2h1x s ALA 38 CO -0.01 0.65 0.41 -1.58 0.00 0.00 0.00 175.76 175.23 2h1x s TRP 39 N -1.16 3.71 0.00 0.00 0.52 -1.26 -1.71 118.94 119.04 2h1x s TRP 39 Ca 0.21 0.96 0.04 0.00 0.02 0.00 0.00 56.10 57.33 2h1x s TRP 39 Cb -0.11 -2.27 -0.01 0.00 -1.15 0.00 0.00 33.47 29.93 2h1x s TRP 39 CO 0.13 0.63 -0.13 -0.80 0.02 0.00 0.00 176.95 176.80 2h1x s ASN 40 N -1.17 1.49 0.07 2.95 0.01 -0.69 -4.97 114.94 112.63 2h1x s ASN 40 Ca 0.25 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.81 2h1x s ASN 40 Cb -0.16 -0.15 -0.06 0.00 0.41 0.00 0.00 41.25 41.30 2h1x s ASN 40 CO 0.14 0.12 1.16 -0.63 -1.51 0.00 0.00 177.10 176.38 2h1x s ILE 41 N -0.43 4.11 -0.21 0.60 1.01 -1.26 -1.16 121.20 123.85 2h1x s ILE 41 Ca 0.04 1.55 -0.00 0.00 0.00 0.00 0.00 60.65 62.24 2h1x s ILE 41 Cb -0.06 -3.99 -0.20 0.00 0.01 0.00 0.00 42.46 38.22 2h1x s ILE 41 CO -0.00 0.14 -0.04 0.18 0.00 0.00 0.00 174.94 175.22 2h1x n LEU 42 N 3.71 2.79 -3.57 2.97 4.32 0.53 -4.93 117.00 122.83 2h1x n LEU 42 Ca 0.08 -0.03 -0.15 0.00 -0.02 0.00 0.00 56.01 55.89 2h1x n LEU 42 Cb 0.47 -0.93 -0.06 0.00 -1.62 0.00 0.00 43.42 41.28 2h1x n LEU 42 CO 0.55 0.90 0.53 0.28 -1.22 0.00 0.00 177.39 178.43 2h1x s THR 43 N -2.53 0.00 0.09 -5.08 -1.32 -1.13 -5.02 115.64 100.64 2h1x s THR 43 Ca -0.30 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.27 2h1x s THR 43 Cb 0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 2h1x s THR 43 CO 0.66 0.00 -0.24 0.42 -2.21 0.00 0.00 174.62 173.24 2h1x s THR 44 N -0.69 2.00 0.20 5.08 -4.23 -1.26 -0.93 115.64 115.81 2h1x s THR 44 Ca -0.05 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2h1x s THR 44 Cb -0.02 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 2h1x s THR 44 CO 0.05 0.14 0.25 -0.83 -0.54 0.00 0.00 174.62 173.68 2h1x s GLY 45 N -1.69 0.98 -0.06 3.99 0.00 0.83 -5.00 107.32 106.37 2h1x s GLY 45 Ca 0.11 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.51 2h1x s GLY 45 CO 0.04 -1.08 -0.02 -0.42 0.00 0.00 0.00 173.10 171.62 2h1x s ILE 46 N -4.08 0.48 0.40 0.90 1.01 -1.26 -0.96 121.20 117.69 2h1x s ILE 46 Ca 0.29 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.67 2h1x s ILE 46 Cb 0.04 -0.57 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 2h1x s ILE 46 CO 0.08 0.25 1.35 0.42 0.00 0.00 0.00 174.94 177.04 2h1x s THR 47 N 1.50 2.46 0.13 2.92 -4.23 -0.52 -4.80 115.64 113.10 2h1x s THR 47 Ca -0.02 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2h1x s THR 47 Cb -0.13 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.48 2h1x s THR 47 CO -0.03 0.08 0.17 -0.46 -0.54 0.00 0.00 174.62 173.83 2h1x n ASN 48 N 0.24 0.05 0.26 3.99 0.23 -0.07 -0.32 115.26 119.63 2h1x n ASN 48 Ca 0.03 -1.08 0.11 0.00 -0.53 0.00 0.00 54.58 53.11 2h1x n ASN 48 Cb 0.42 -0.13 0.71 0.00 -2.08 0.00 0.00 39.78 38.71 2h1x n ASN 48 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2h1x h ASP 49 N -0.21 0.00 -0.11 0.53 3.58 -1.92 0.82 116.42 119.12 2h1x h ASP 49 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2h1x h ASP 49 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2h1x h ASP 49 CO 0.04 0.11 0.00 -0.67 -2.88 0.00 0.00 179.24 175.84 2h1x n ASP 50 N -3.88 1.12 -0.34 2.28 2.03 -1.26 -4.66 116.55 111.84 2h1x n ASP 50 Ca -0.02 -1.60 -0.04 0.00 0.52 0.00 0.00 54.79 53.64 2h1x n ASP 50 Cb 0.20 -0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 2h1x n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h1x n GLY 51 N 1.02 0.67 3.75 0.27 0.00 0.28 -4.75 105.19 106.44 2h1x n GLY 51 Ca 0.16 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2h1x n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1x s ARG 52 N -2.51 2.43 -0.45 1.61 0.52 -1.26 0.20 118.95 119.49 2h1x s ARG 52 Ca 0.00 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 53.76 2h1x s ARG 52 Cb 0.00 -2.23 0.17 0.00 0.52 0.00 0.00 34.95 33.42 2h1x s ARG 52 CO 0.00 0.12 0.37 0.00 0.02 0.00 0.00 175.30 175.81 2h1x s PRO 54 N -0.20 2.21 -0.76 0.00 0.02 -1.26 -3.78 135.00 131.23 2h1x s PRO 54 Ca 0.32 1.82 -0.01 0.00 0.02 0.00 0.00 61.00 63.15 2h1x s PRO 54 Cb 0.03 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2h1x s PRO 54 CO -0.19 -1.79 0.07 0.41 -0.33 0.00 0.00 177.00 175.17 2h1x n GLY 55 N 0.50 0.03 0.34 0.52 0.00 -1.26 -4.93 105.19 100.39 2h1x n GLY 55 Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.73 2h1x n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h1x h LEU 56 N -0.17 0.68 -7.00 0.99 3.38 -1.79 -3.45 115.31 107.95 2h1x h LEU 56 Ca -0.22 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2h1x h LEU 56 Cb 1.16 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 2h1x h LEU 56 CO 0.26 0.47 0.21 -0.51 0.09 0.00 0.00 178.44 178.96 2h1x s ILE 57 N -5.68 0.00 0.29 1.22 2.07 -1.26 -4.76 121.20 113.07 2h1x s ILE 57 Ca -0.10 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2h1x s ILE 57 Cb 0.18 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 2h1x s ILE 57 CO 0.76 0.00 0.49 0.42 -1.91 0.00 0.00 174.94 174.71 2h1x s THR 58 N -1.82 5.13 0.19 4.00 -4.23 -1.26 -4.28 115.64 113.37 2h1x s THR 58 Ca -0.08 -0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 59.94 2h1x s THR 58 Cb -0.00 -3.80 0.12 0.00 1.34 0.00 0.00 72.50 70.16 2h1x s THR 58 CO 0.04 -0.39 1.72 0.50 -0.54 0.00 0.00 174.62 175.95 2h1x h LYS 59 N 1.31 0.25 -0.52 3.99 1.63 -1.94 -0.61 116.57 120.68 2h1x h LYS 59 Ca -0.49 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.33 2h1x h LYS 59 Cb 1.21 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.75 2h1x h LYS 59 CO 0.64 0.17 0.34 0.93 -3.45 0.00 0.00 179.45 178.08 2h1x h GLU 60 N 0.26 0.55 -0.00 1.90 5.08 -2.01 -2.17 114.58 118.18 2h1x h GLU 60 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2h1x h GLU 60 Cb 0.36 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2h1x h GLU 60 CO -0.34 0.36 -0.54 -1.71 -1.00 0.00 0.00 179.01 175.79 2h1x n ASN 61 N -4.47 0.58 -4.06 1.42 5.15 -0.70 -4.60 115.26 108.58 2h1x n ASN 61 Ca 0.06 -0.36 -0.42 0.00 -0.60 0.00 0.00 54.58 53.25 2h1x n ASN 61 Cb 0.16 0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2h1x n ASN 61 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2h1x n PHE 62 N -1.45 3.97 -2.96 1.20 7.35 -0.32 -4.94 117.46 120.31 2h1x n PHE 62 Ca 0.06 -2.93 -0.24 0.00 -0.76 0.00 0.00 57.45 53.58 2h1x n PHE 62 Cb 0.34 -2.58 0.01 0.00 0.35 0.00 0.00 39.48 37.59 2h1x n PHE 62 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2h1x s ILE 63 N 3.55 4.39 0.39 -2.13 -4.36 -1.26 -4.95 121.20 116.83 2h1x s ILE 63 Ca 0.50 -0.31 -0.27 0.00 -0.26 0.00 0.00 60.65 60.30 2h1x s ILE 63 Cb 0.10 -3.64 -0.10 0.00 1.25 0.00 0.00 42.46 40.08 2h1x s ILE 63 CO -0.02 -0.49 1.36 0.00 0.24 0.00 0.00 174.94 176.02 2h1x s ALA 64 N -2.58 3.39 0.00 2.27 0.00 -1.26 -4.92 121.76 118.66 2h1x s ALA 64 Ca 0.47 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2h1x s ALA 64 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2h1x s ALA 64 CO 0.39 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2h1x n GLY 65 N 0.64 -1.13 3.51 0.00 0.00 0.06 -5.00 105.19 103.26 2h1x n GLY 65 Ca 0.02 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 2h1x n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1x s VAL 66 N -3.00 4.25 0.28 1.61 1.01 -1.26 -0.48 120.40 122.80 2h1x s VAL 66 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.87 2h1x s VAL 66 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2h1x s VAL 66 CO 0.00 0.43 -0.09 -0.31 0.00 0.00 0.00 175.10 175.13 2h1x s TYR 67 N 0.80 2.50 -0.03 5.22 2.02 0.50 -1.29 117.35 127.07 2h1x s TYR 67 Ca 0.02 -0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 2h1x s TYR 67 Cb -0.14 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.32 2h1x s TYR 67 CO 0.02 0.65 0.02 0.21 -1.57 0.00 0.00 175.55 174.88 2h1x s LYS 68 N -3.60 0.17 -0.23 -0.62 2.20 -0.83 -0.37 119.74 116.45 2h1x s LYS 68 Ca 0.31 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 56.01 2h1x s LYS 68 Cb -0.05 -0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 35.82 2h1x s LYS 68 CO 0.18 -0.17 -0.00 -1.64 -0.36 0.00 0.00 175.35 173.35 2h1x s MET 69 N 1.21 3.48 -0.27 4.03 -1.94 -0.06 -0.46 119.30 125.29 2h1x s MET 69 Ca -0.07 -0.57 -0.09 0.00 -1.71 0.00 0.00 55.69 53.25 2h1x s MET 69 Cb -0.13 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 2h1x s MET 69 CO -0.02 -0.19 0.13 0.50 -0.01 0.00 0.00 175.02 175.42 2h1x s ARG 70 N 1.53 3.79 -0.22 2.03 3.52 -0.16 -0.77 118.95 128.66 2h1x s ARG 70 Ca 0.06 -0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.16 2h1x s ARG 70 Cb -0.15 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2h1x s ARG 70 CO -0.01 -0.19 0.10 -0.06 -0.81 0.00 0.00 175.30 174.33 2h1x s PHE 71 N 1.69 3.22 -1.32 5.12 0.08 0.25 -0.93 117.98 126.09 2h1x s PHE 71 Ca 0.07 -0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.96 2h1x s PHE 71 Cb -0.16 -2.20 0.09 0.00 -0.57 0.00 0.00 43.02 40.19 2h1x s PHE 71 CO 0.07 -0.03 1.80 0.39 -0.10 0.00 0.00 175.22 177.36 2h1x n GLU 72 N 4.23 3.20 0.08 0.44 -0.58 -0.50 -0.58 120.64 126.92 2h1x n GLU 72 Ca -0.16 -3.27 -0.11 0.00 -0.42 0.00 0.00 57.16 53.21 2h1x n GLU 72 Cb 0.52 -3.31 -0.02 0.00 -0.57 0.00 0.00 31.44 28.06 2h1x n GLU 72 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2h1x h THR 73 N 4.87 1.45 -0.22 2.62 1.35 -1.82 -2.20 112.91 118.97 2h1x h THR 73 Ca 0.45 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 2h1x h THR 73 Cb 0.80 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 2h1x h THR 73 CO 1.53 0.74 0.13 1.23 -0.25 0.00 0.00 175.52 178.90 2h1x h GLY 74 N 1.55 0.30 1.56 5.82 0.00 -1.07 -1.75 103.07 109.48 2h1x h GLY 74 Ca -0.06 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 2h1x h GLY 74 CO 0.15 0.10 -0.53 0.50 0.00 0.00 0.00 176.54 176.76 2h1x h LYS 75 N 0.28 0.47 0.03 4.80 1.57 -1.75 -1.40 116.57 120.56 2h1x h LYS 75 Ca 0.08 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2h1x h LYS 75 Cb -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2h1x h LYS 75 CO -0.03 0.88 -0.15 -0.92 -0.57 0.00 0.00 179.45 178.67 2h1x h TYR 76 N 0.37 -0.39 -0.07 -1.35 3.20 -1.25 -1.81 116.97 115.68 2h1x h TYR 76 Ca 0.01 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.68 2h1x h TYR 76 Cb 1.05 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2h1x h TYR 76 CO 0.04 -0.22 -0.83 -1.49 -1.64 0.00 0.00 178.16 174.01 2h1x h TRP 77 N -0.26 0.77 -0.90 -3.82 4.06 -1.32 -2.91 115.95 111.57 2h1x h TRP 77 Ca 0.04 -0.37 0.12 0.00 2.06 0.00 0.00 58.89 60.74 2h1x h TRP 77 Cb 0.31 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.30 2h1x h TRP 77 CO -0.19 1.17 0.58 0.22 -3.56 0.00 0.00 178.44 176.66 2h1x h ASP 78 N 0.35 0.76 1.02 -3.49 3.58 -0.74 0.63 116.42 118.54 2h1x h ASP 78 Ca -0.06 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2h1x h ASP 78 Cb 1.45 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2h1x h ASP 78 CO 0.15 0.42 0.00 0.00 -2.88 0.00 0.00 179.24 176.94 2h1x h ALA 79 N 1.57 1.00 -0.31 -0.78 0.00 -1.14 -1.85 119.26 117.76 2h1x h ALA 79 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2h1x h ALA 79 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2h1x h ALA 79 CO -0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2h1x n LEU 80 N -2.33 2.77 -0.48 0.00 4.77 0.01 -4.93 117.00 116.81 2h1x n LEU 80 Ca 0.03 -1.18 -0.04 0.00 -0.03 0.00 0.00 56.01 54.78 2h1x n LEU 80 Cb 0.31 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2h1x n LEU 80 CO 0.24 0.59 -0.06 0.61 -1.33 0.00 0.00 177.39 177.45 2h1x n GLY 81 N 1.36 0.28 3.28 -0.72 0.00 -0.69 -5.05 105.19 103.65 2h1x n GLY 81 Ca 0.18 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 2h1x n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h1x s GLU 82 N -3.90 1.22 0.21 1.61 2.02 -0.05 -5.00 118.70 114.81 2h1x s GLU 82 Ca 0.00 -1.61 0.04 0.00 0.02 0.00 0.00 54.97 53.42 2h1x s GLU 82 Cb 0.00 -0.39 -0.03 0.00 0.10 0.00 0.00 34.13 33.81 2h1x s GLU 82 CO 0.00 -0.13 0.34 -0.08 0.02 0.00 0.00 175.26 175.41 2h1x s THR 83 N -3.58 5.28 0.03 3.63 -1.32 -1.26 -2.17 115.64 116.24 2h1x s THR 83 Ca 0.27 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 59.96 2h1x s THR 83 Cb 0.06 -3.82 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 2h1x s THR 83 CO 0.07 -0.26 -0.25 0.00 -2.21 0.00 0.00 174.62 171.97 2h1x h PHE 85 N 5.02 0.37 -3.49 0.00 3.57 -1.64 -3.41 116.94 117.36 2h1x h PHE 85 Ca -0.45 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.41 2h1x h PHE 85 Cb 1.14 -0.12 -0.25 0.00 2.79 0.00 0.00 35.95 39.50 2h1x h PHE 85 CO 0.46 0.25 -0.68 0.71 -2.23 0.00 0.00 178.31 176.81 2h1x s TYR 86 N -5.33 3.01 0.38 0.41 2.02 -1.26 -4.97 117.35 111.61 2h1x s TYR 86 Ca -0.07 -0.71 0.17 0.00 -0.37 0.00 0.00 57.07 56.09 2h1x s TYR 86 Cb 0.17 -2.15 0.95 0.00 -0.40 0.00 0.00 41.96 40.53 2h1x s TYR 86 CO 0.72 -0.46 1.91 -1.00 -1.57 0.00 0.00 175.55 175.15 2h1x h PRO 87 N 8.12 0.00 -2.74 -1.71 0.13 -1.94 -3.18 132.00 130.68 2h1x h PRO 87 Ca -0.40 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2h1x h PRO 87 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 2h1x h PRO 87 CO 0.59 0.27 0.31 1.52 -0.23 0.00 0.00 178.00 180.46 2h1x s TYR 88 N -4.23 -0.48 -0.09 1.56 1.13 -1.26 -1.05 117.35 112.93 2h1x s TYR 88 Ca -0.03 0.30 0.04 0.00 -1.41 0.00 0.00 57.07 55.97 2h1x s TYR 88 Cb 0.14 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.55 2h1x s TYR 88 CO 0.68 -0.74 -0.21 0.08 -2.51 0.00 0.00 175.55 172.85 2h1x s VAL 89 N -3.49 1.83 -0.16 -3.49 1.01 0.25 -4.86 120.40 111.48 2h1x s VAL 89 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2h1x s VAL 89 Cb -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2h1x s VAL 89 CO -0.11 0.51 -0.15 -1.61 0.00 0.00 0.00 175.10 173.74 2h1x s GLU 90 N 0.35 3.19 -0.26 2.72 2.02 -1.26 0.86 118.70 126.33 2h1x s GLU 90 Ca -0.16 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.01 2h1x s GLU 90 Cb -0.17 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 2h1x s GLU 90 CO 0.07 -0.04 0.05 0.42 0.02 0.00 0.00 175.26 175.79 2h1x s ILE 91 N 0.95 4.04 -0.12 -1.63 1.01 0.05 -4.94 121.20 120.55 2h1x s ILE 91 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2h1x s ILE 91 Cb -0.15 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2h1x s ILE 91 CO -0.02 0.28 0.02 -0.69 0.00 0.00 0.00 174.94 174.52 2h1x s VAL 92 N 1.56 4.46 0.05 2.92 1.01 -1.26 -0.88 120.40 128.25 2h1x s VAL 92 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2h1x s VAL 92 Cb -0.16 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2h1x s VAL 92 CO 0.02 0.55 0.26 0.72 0.00 0.00 0.00 175.10 176.66 2h1x s PHE 93 N -0.37 -0.04 -0.21 5.22 -0.71 0.50 -4.99 117.98 117.38 2h1x s PHE 93 Ca 0.08 -0.14 -0.09 0.00 -1.04 0.00 0.00 56.93 55.74 2h1x s PHE 93 Cb -0.12 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 2h1x s PHE 93 CO 0.02 -0.48 0.12 0.99 -1.34 0.00 0.00 175.22 174.52 2h1x s THR 94 N -2.63 5.10 -0.33 -4.49 2.01 -1.26 -0.37 115.64 113.67 2h1x s THR 94 Ca -0.04 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 2h1x s THR 94 Cb -0.01 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.18 2h1x s THR 94 CO -0.04 0.40 0.13 -0.63 -0.69 0.00 0.00 174.62 173.79 2h1x s ILE 95 N 0.75 4.17 -0.07 1.82 -1.09 0.36 -4.92 121.20 122.23 2h1x s ILE 95 Ca 0.06 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 2h1x s ILE 95 Cb -0.13 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 2h1x s ILE 95 CO 0.02 -0.05 -0.06 0.35 -1.23 0.00 0.00 174.94 173.96 2h1x n THR 96 N 4.90 0.40 -2.97 2.92 -2.24 -1.26 -0.76 114.28 115.26 2h1x n THR 96 Ca -0.13 -0.15 -0.44 0.00 -2.27 0.00 0.00 64.05 61.06 2h1x n THR 96 Cb 0.47 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 2h1x n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2h1x s ASN 97 N -4.77 6.18 0.00 3.42 3.84 -1.26 -4.80 114.94 117.55 2h1x s ASN 97 Ca -0.09 -1.19 0.11 0.00 0.21 0.00 0.00 52.86 51.89 2h1x s ASN 97 Cb 0.03 -2.36 0.50 0.00 -0.55 0.00 0.00 41.25 38.86 2h1x s ASN 97 CO 0.16 -1.29 1.34 1.07 -2.79 0.00 0.00 177.10 175.59 2h1x n THR 98 N 5.75 0.15 0.74 -5.21 5.66 -1.26 -3.19 114.28 116.91 2h1x n THR 98 Ca -0.06 -0.17 0.12 0.00 -3.05 0.00 0.00 64.05 60.89 2h1x n THR 98 Cb 0.44 0.05 0.27 0.00 -1.55 0.00 0.00 70.33 69.54 2h1x n THR 98 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2h1x n SER 99 N -0.19 0.58 -4.96 1.09 3.41 -1.26 -4.93 113.62 107.36 2h1x n SER 99 Ca 0.09 0.13 -0.23 0.00 -0.26 0.00 0.00 58.87 58.60 2h1x n SER 99 Cb 0.15 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 2h1x n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2h1x s GLN 100 N -3.10 3.46 0.06 4.33 -0.21 -1.19 -5.09 119.66 117.91 2h1x s GLN 100 Ca 0.09 -0.62 -0.19 0.00 0.02 0.00 0.00 55.36 54.66 2h1x s GLN 100 Cb 0.15 -2.84 -0.06 0.00 1.00 0.00 0.00 33.01 31.25 2h1x s GLN 100 CO 0.68 0.38 0.54 -1.58 -2.12 0.00 0.00 175.29 173.19 2h1x s HIS 101 N -2.02 3.79 -0.15 0.91 5.65 -1.26 -4.95 115.29 117.25 2h1x s HIS 101 Ca 0.36 1.22 0.02 0.00 0.25 0.00 0.00 55.06 56.91 2h1x s HIS 101 Cb -0.09 -2.47 0.01 0.00 -1.18 0.00 0.00 32.58 28.85 2h1x s HIS 101 CO 0.30 0.59 -0.21 0.71 -0.65 0.00 0.00 174.74 175.48 2h1x s TYR 102 N -1.06 2.64 -0.18 3.88 2.02 0.33 -4.48 117.35 120.50 2h1x s TYR 102 Ca 0.28 -1.40 -0.02 0.00 -0.37 0.00 0.00 57.07 55.56 2h1x s TYR 102 Cb -0.19 -1.81 -0.00 0.00 -0.40 0.00 0.00 41.96 39.55 2h1x s TYR 102 CO 0.18 -0.66 -0.10 -1.58 -1.57 0.00 0.00 175.55 171.82 2h1x s HIS 103 N 0.97 2.88 -0.60 2.71 5.65 -0.55 -1.43 115.29 124.91 2h1x s HIS 103 Ca -0.03 -0.99 0.04 0.00 0.25 0.00 0.00 55.06 54.33 2h1x s HIS 103 Cb -0.15 -1.99 0.16 0.00 -1.18 0.00 0.00 32.58 29.43 2h1x s HIS 103 CO -0.05 -0.50 0.41 0.14 -0.65 0.00 0.00 174.74 174.09 2h1x s VAL 104 N 1.10 2.22 0.79 0.89 -7.23 0.06 -1.17 120.40 117.07 2h1x s VAL 104 Ca 0.01 -3.69 -0.12 0.00 -1.81 0.00 0.00 61.98 56.36 2h1x s VAL 104 Cb -0.15 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.38 2h1x s VAL 104 CO -0.03 -1.02 1.15 -2.16 -0.31 0.00 0.00 175.10 172.74 2h1x s PRO 105 N -0.86 2.12 -0.14 4.82 0.04 -1.26 -4.26 135.00 135.46 2h1x s PRO 105 Ca 0.25 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 2h1x s PRO 105 Cb -0.07 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.56 2h1x s PRO 105 CO -0.14 -1.52 0.01 -1.17 0.04 0.00 0.00 177.00 174.23 2h1x s LEU 106 N -5.59 1.00 -0.31 -3.56 2.96 0.29 -4.45 118.68 109.03 2h1x s LEU 106 Ca 0.61 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.86 2h1x s LEU 106 Cb -0.12 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2h1x s LEU 106 CO 0.51 -0.25 0.32 -0.76 -1.32 0.00 0.00 176.35 174.85 2h1x s LEU 107 N 1.87 4.25 -0.04 -0.68 1.02 0.04 -0.68 118.68 124.47 2h1x s LEU 107 Ca 0.02 -0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.13 2h1x s LEU 107 Cb -0.15 -2.30 0.01 0.00 0.02 0.00 0.00 46.19 43.77 2h1x s LEU 107 CO -0.07 -0.23 -0.10 -0.22 0.02 0.00 0.00 176.35 175.75 2h1x s LEU 108 N 1.95 1.75 0.00 1.79 2.96 0.90 -1.16 118.68 126.87 2h1x s LEU 108 Ca 0.11 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2h1x s LEU 108 Cb -0.16 -0.65 -0.00 0.00 0.50 0.00 0.00 46.19 45.87 2h1x s LEU 108 CO 0.11 0.07 0.01 -1.54 -1.32 0.00 0.00 176.35 173.68 2h1x n SER 109 N 3.40 2.36 0.20 3.68 3.41 -0.32 -1.23 113.62 125.12 2h1x n SER 109 Ca -0.19 -2.09 0.06 0.00 -0.26 0.00 0.00 58.87 56.39 2h1x n SER 109 Cb 0.53 0.24 0.39 0.00 -0.26 0.00 0.00 64.21 65.11 2h1x n SER 109 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2h1x h ARG 110 N 0.00 0.00 0.00 4.33 3.08 -2.00 -3.30 114.38 116.49 2h1x h ARG 110 Ca -0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2h1x h ARG 110 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2h1x h ARG 110 CO 0.32 0.35 -0.29 1.19 -1.07 0.00 0.00 179.97 180.48 2h1x n PHE 111 N -3.68 0.00 -3.52 3.04 3.72 -1.26 -1.55 117.46 114.21 2h1x n PHE 111 Ca -0.01 -1.12 -0.08 0.00 -0.05 0.00 0.00 57.45 56.19 2h1x n PHE 111 Cb 0.45 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 2h1x n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h1x s SER 112 N -2.87 -0.34 0.18 4.37 1.04 -1.24 -5.04 113.70 109.79 2h1x s SER 112 Ca 0.33 0.03 -0.21 0.00 0.48 0.00 0.00 55.95 56.57 2h1x s SER 112 Cb 0.31 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.84 2h1x s SER 112 CO -0.02 -0.57 0.58 -0.72 0.98 0.00 0.00 173.24 173.49 2h1x s TYR 113 N -2.93 -0.40 0.11 5.02 1.13 -1.26 -1.18 117.35 117.84 2h1x s TYR 113 Ca 0.05 0.13 -0.17 0.00 -1.41 0.00 0.00 57.07 55.67 2h1x s TYR 113 Cb -0.01 0.52 0.04 0.00 -1.10 0.00 0.00 41.96 41.41 2h1x s TYR 113 CO -0.08 -0.89 0.42 -1.54 -2.51 0.00 0.00 175.55 170.95 2h1x s SER 114 N -2.79 -0.28 0.08 -0.18 1.04 -0.31 -4.98 113.70 106.28 2h1x s SER 114 Ca 0.04 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 2h1x s SER 114 Cb -0.01 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2h1x s SER 114 CO -0.09 -0.82 0.28 0.28 0.98 0.00 0.00 173.24 173.87 2h1x s THR 115 N -3.47 0.11 0.12 2.02 -1.32 -1.26 -0.78 115.64 111.05 2h1x s THR 115 Ca 0.01 -0.87 -0.10 0.00 -1.21 0.00 0.00 61.69 59.52 2h1x s THR 115 Cb 0.01 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2h1x s THR 115 CO -0.10 -0.48 0.26 -0.72 -2.21 0.00 0.00 174.62 171.38 2h1x s TYR 116 N -3.39 0.13 -0.33 9.09 1.13 -1.26 -5.06 117.35 117.65 2h1x s TYR 116 Ca 0.01 -0.52 -0.22 0.00 -1.41 0.00 0.00 57.07 54.93 2h1x s TYR 116 Cb 0.02 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 2h1x s TYR 116 CO -0.09 -0.62 0.72 0.50 -2.51 0.00 0.00 175.55 173.55 2h1x s ARG 117 N -3.87 3.82 0.50 -3.49 3.52 -1.26 -4.20 118.95 113.97 2h1x s ARG 117 Ca 0.07 0.33 0.06 0.00 -0.13 0.00 0.00 55.73 56.06 2h1x s ARG 117 Cb 0.04 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.67 2h1x s ARG 117 CO -0.08 -0.72 0.32 0.20 -0.81 0.00 0.00 175.30 174.21 2h1x s GLY 118 N 1.73 2.41 0.00 8.12 0.00 -0.32 -4.97 107.32 114.29 2h1x s GLY 118 Ca 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2h1x s GLY 118 CO 0.14 -1.94 0.01 -1.26 0.00 0.00 0.00 173.10 170.06