#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 1.69 -4.43 -1.46 -0.05 -1.26 -4.50 135.00 125.00 2h1x n PRO 8 Ca 0.00 -1.02 -0.33 0.00 -0.05 0.00 0.00 63.50 62.09 2h1x n PRO 8 Cb 0.00 -1.44 -0.15 0.00 -0.05 0.00 0.00 33.50 31.86 2h1x n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2h1x s LEU 9 N -1.80 2.62 0.17 1.53 2.96 -1.26 -0.58 118.68 122.32 2h1x s LEU 9 Ca 0.35 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2h1x s LEU 9 Cb 0.19 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2h1x s LEU 9 CO 0.30 0.08 0.07 -0.94 -1.32 0.00 0.00 176.35 174.54 2h1x s SER 10 N 0.86 0.55 0.21 3.68 1.04 -0.43 -4.38 113.70 115.23 2h1x s SER 10 Ca -0.04 -1.26 -0.03 0.00 0.48 0.00 0.00 55.95 55.11 2h1x s SER 10 Cb -0.15 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 2h1x s SER 10 CO -0.00 -0.72 0.18 0.28 0.98 0.00 0.00 173.24 173.95 2h1x s THR 11 N -3.96 0.00 -0.21 2.02 -1.32 -1.26 -1.07 115.64 109.83 2h1x s THR 11 Ca 0.29 -1.92 -0.07 0.00 -1.21 0.00 0.00 61.69 58.78 2h1x s THR 11 Cb 0.07 -2.45 0.10 0.00 -1.51 0.00 0.00 72.50 68.71 2h1x s THR 11 CO 0.06 -0.01 0.44 -2.28 -2.21 0.00 0.00 174.62 170.62 2h1x s HIS 12 N -4.14 -0.86 -0.24 9.09 2.46 -1.26 -4.02 115.29 116.31 2h1x s HIS 12 Ca 0.37 1.53 -0.10 0.00 0.47 0.00 0.00 55.06 57.33 2h1x s HIS 12 Cb 0.06 0.33 -0.05 0.00 -0.13 0.00 0.00 32.58 32.79 2h1x s HIS 12 CO 0.11 -0.53 0.14 0.08 -2.47 0.00 0.00 174.74 172.08 2h1x s VAL 13 N 2.64 5.20 -0.14 0.89 1.01 0.41 -0.36 120.40 130.05 2h1x s VAL 13 Ca -0.00 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2h1x s VAL 13 Cb -0.12 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2h1x s VAL 13 CO -0.14 0.35 -0.21 -0.22 0.00 0.00 0.00 175.10 174.88 2h1x s LEU 14 N 1.10 2.19 -0.90 3.92 0.20 -0.10 0.12 118.68 125.21 2h1x s LEU 14 Ca 0.07 -0.57 -0.22 0.00 0.69 0.00 0.00 54.13 54.10 2h1x s LEU 14 Cb -0.14 -1.47 0.08 0.00 -0.43 0.00 0.00 46.19 44.24 2h1x s LEU 14 CO 0.05 0.09 1.23 0.21 -0.29 0.00 0.00 176.35 177.63 2h1x s ASN 15 N 0.78 6.46 0.00 3.68 3.84 -0.11 -0.37 114.94 129.22 2h1x s ASN 15 Ca -0.08 -1.51 0.26 0.00 0.21 0.00 0.00 52.86 51.75 2h1x s ASN 15 Cb -0.16 -2.48 1.30 0.00 -0.55 0.00 0.00 41.25 39.37 2h1x s ASN 15 CO -0.01 -1.35 1.89 2.30 -2.79 0.00 0.00 177.10 177.14 2h1x n ILE 16 N 6.13 0.16 0.04 -5.21 -5.35 -0.24 0.16 119.36 115.05 2h1x n ILE 16 Ca 0.20 0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.60 2h1x n ILE 16 Cb 0.49 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.78 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 3.20 0.46 -0.00 -1.28 0.00 -1.89 -3.34 119.26 116.41 2h1x h ALA 17 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2h1x h ALA 17 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2h1x h ALA 17 CO 0.00 0.76 -0.11 1.04 0.00 0.00 0.00 179.25 180.94 2h1x n GLN 18 N -3.83 2.08 -3.69 0.00 6.02 -1.08 -5.01 117.38 111.87 2h1x n GLN 18 Ca -0.06 -0.51 -0.25 0.00 -0.01 0.00 0.00 57.00 56.17 2h1x n GLN 18 Cb 0.76 -0.98 0.06 0.00 1.02 0.00 0.00 30.24 31.10 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 0.69 -0.51 3.33 1.08 0.00 0.12 -5.01 105.19 104.89 2h1x n GLY 19 Ca 0.03 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.33 1.14 0.49 1.61 -7.23 -1.06 -5.02 120.40 107.00 2h1x s VAL 20 Ca 0.54 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.44 2h1x s VAL 20 Cb -0.25 -2.28 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 2h1x s VAL 20 CO 0.76 -0.38 1.24 -2.84 -0.31 0.00 0.00 175.10 173.57 2h1x s PRO 21 N -3.83 3.55 -1.11 4.82 0.02 -1.26 -0.93 135.00 136.26 2h1x s PRO 21 Ca 0.27 1.97 -0.21 0.00 0.02 0.00 0.00 61.00 63.04 2h1x s PRO 21 Cb 0.05 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.24 2h1x s PRO 21 CO 0.08 -0.78 1.56 0.20 -0.33 0.00 0.00 177.00 177.73 2h1x s GLY 22 N -1.17 1.36 0.35 0.52 0.00 0.12 -4.59 107.32 103.91 2h1x s GLY 22 Ca 0.66 -2.47 -0.23 0.00 0.00 0.00 0.00 44.72 42.68 2h1x s GLY 22 CO 0.40 2.72 0.91 0.00 0.00 0.00 0.00 173.10 177.14 2h1x s ALA 23 N 4.86 3.18 -1.50 3.20 0.00 -1.26 -4.18 121.76 126.06 2h1x s ALA 23 Ca 0.49 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2h1x s ALA 23 Cb 0.01 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2h1x s ALA 23 CO -0.04 0.18 0.19 0.09 0.00 0.00 0.00 175.76 176.18 2h1x n ASN 24 N 0.10 -5.41 -4.77 0.00 4.13 -0.57 -4.94 115.26 103.80 2h1x n ASN 24 Ca 0.03 -0.10 -0.38 0.00 1.68 0.00 0.00 54.58 55.82 2h1x n ASN 24 Cb 0.52 -4.40 -0.06 0.00 -1.54 0.00 0.00 39.78 34.30 2h1x n ASN 24 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2h1x s MET 25 N -5.14 4.17 0.10 3.52 1.75 -1.26 -4.78 119.30 117.66 2h1x s MET 25 Ca 0.09 0.37 -0.30 0.00 -1.25 0.00 0.00 55.69 54.60 2h1x s MET 25 Cb -0.04 -3.35 -0.06 0.00 2.84 0.00 0.00 34.83 34.22 2h1x s MET 25 CO 0.11 0.37 1.13 0.99 -0.65 0.00 0.00 175.02 176.98 2h1x s THR 26 N -0.05 4.08 -0.04 10.11 2.01 -1.26 -1.13 115.64 129.36 2h1x s THR 26 Ca 0.23 1.60 0.05 0.00 0.31 0.00 0.00 61.69 63.88 2h1x s THR 26 Cb -0.15 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2h1x s THR 26 CO 0.10 0.19 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.40 2h1x s ILE 27 N 0.53 1.52 -0.15 1.82 1.01 -0.49 -1.31 121.20 124.13 2h1x s ILE 27 Ca 0.54 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2h1x s ILE 27 Cb -0.28 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2h1x s ILE 27 CO 0.31 0.43 -0.18 -0.69 0.00 0.00 0.00 174.94 174.82 2h1x s VAL 28 N -0.08 1.83 -0.14 2.92 1.01 -0.36 -0.35 120.40 125.23 2h1x s VAL 28 Ca -0.02 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 2h1x s VAL 28 Cb -0.11 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2h1x s VAL 28 CO 0.02 0.50 0.32 -0.22 0.00 0.00 0.00 175.10 175.72 2h1x s LEU 29 N 1.16 4.27 0.26 3.92 2.96 0.11 -1.06 118.68 130.32 2h1x s LEU 29 Ca -0.00 0.59 0.08 0.00 -0.22 0.00 0.00 54.13 54.58 2h1x s LEU 29 Cb -0.14 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2h1x s LEU 29 CO -0.07 0.12 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.96 2h1x s HIS 30 N 0.29 1.98 -0.01 5.38 3.76 -0.26 -0.02 115.29 126.41 2h1x s HIS 30 Ca 0.18 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2h1x s HIS 30 Cb -0.14 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.54 2h1x s HIS 30 CO 0.06 0.41 -0.04 0.50 -0.85 0.00 0.00 174.74 174.82 2h1x s ARG 31 N -3.65 0.40 0.19 1.40 3.52 -0.13 -1.63 118.95 119.06 2h1x s ARG 31 Ca 0.28 -0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 2h1x s ARG 31 Cb 0.01 -0.42 -0.08 0.00 -1.56 0.00 0.00 34.95 32.89 2h1x s ARG 31 CO 0.11 0.05 1.29 -1.17 -0.81 0.00 0.00 175.30 174.76 2h1x s LEU 32 N 0.16 4.42 -0.08 -0.88 2.96 0.86 -1.74 118.68 124.39 2h1x s LEU 32 Ca -0.01 2.36 -0.30 0.00 -0.22 0.00 0.00 54.13 55.96 2h1x s LEU 32 Cb -0.05 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2h1x s LEU 32 CO -0.00 -0.50 1.16 -0.62 -1.32 0.00 0.00 176.35 175.07 2h1x s ASP 33 N 0.34 7.08 0.00 3.68 -1.08 0.46 -4.70 116.67 122.45 2h1x s ASP 33 Ca 0.56 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.33 2h1x s ASP 33 Cb -0.36 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.55 2h1x s ASP 33 CO 0.37 -0.57 0.95 -2.65 0.52 0.00 0.00 175.17 173.80 2h1x n PRO 34 N 5.27 0.99 0.02 4.34 -0.02 -1.26 -3.95 135.00 140.39 2h1x n PRO 34 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2h1x n PRO 34 Cb 0.47 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2h1x n PRO 34 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2h1x n VAL 35 N -0.46 0.36 -1.80 -1.45 3.14 -1.26 -5.03 118.33 111.83 2h1x n VAL 35 Ca 0.00 0.12 -0.29 0.00 -2.96 0.00 0.00 64.34 61.21 2h1x n VAL 35 Cb 0.02 -1.44 0.11 0.00 -1.06 0.00 0.00 33.84 31.46 2h1x n VAL 35 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2h1x s SER 36 N -5.29 4.17 -0.54 6.55 1.04 -1.25 -4.98 113.70 113.39 2h1x s SER 36 Ca 0.00 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.25 2h1x s SER 36 Cb 0.00 -1.29 0.49 0.00 0.10 0.00 0.00 66.02 65.32 2h1x s SER 36 CO 0.00 -2.12 1.82 -1.54 0.98 0.00 0.00 173.24 172.38 2h1x n SER 37 N -3.46 6.16 -4.55 7.02 3.41 -1.26 -4.51 113.62 116.43 2h1x n SER 37 Ca 0.08 -3.76 -0.24 0.00 -0.26 0.00 0.00 58.87 54.70 2h1x n SER 37 Cb 0.60 -0.81 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.66 2.95 -0.12 7.33 0.00 -1.26 -4.91 121.76 122.09 2h1x s ALA 38 Ca 0.60 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 2h1x s ALA 38 Cb 0.48 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2h1x s ALA 38 CO 0.02 0.28 0.36 -1.58 0.00 0.00 0.00 175.76 174.84 2h1x s TRP 39 N -2.37 3.53 -0.22 0.00 0.52 -1.26 -0.41 118.94 118.73 2h1x s TRP 39 Ca 0.30 0.74 -0.10 0.00 0.02 0.00 0.00 56.10 57.06 2h1x s TRP 39 Cb -0.06 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.84 2h1x s TRP 39 CO 0.17 0.32 0.16 -0.80 0.02 0.00 0.00 176.95 176.82 2h1x s ASN 40 N 0.16 6.16 0.00 2.95 0.01 -0.71 -4.94 114.94 118.56 2h1x s ASN 40 Ca 0.20 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 52.21 2h1x s ASN 40 Cb -0.14 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 2h1x s ASN 40 CO 0.07 0.10 1.21 -0.63 -1.51 0.00 0.00 177.10 176.34 2h1x s ILE 41 N 0.82 4.14 -0.25 0.60 1.01 -1.26 -0.96 121.20 125.31 2h1x s ILE 41 Ca 0.08 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 62.11 2h1x s ILE 41 Cb -0.13 -3.97 -0.15 0.00 0.01 0.00 0.00 42.46 38.22 2h1x s ILE 41 CO 0.02 0.05 -0.14 0.18 0.00 0.00 0.00 174.94 175.05 2h1x n LEU 42 N 4.62 2.11 -3.59 2.97 4.32 0.97 -4.94 117.00 123.46 2h1x n LEU 42 Ca 0.10 0.29 -0.15 0.00 -0.02 0.00 0.00 56.01 56.23 2h1x n LEU 42 Cb 0.46 -0.89 -0.07 0.00 -1.62 0.00 0.00 43.42 41.31 2h1x n LEU 42 CO 0.55 0.57 0.42 0.28 -1.22 0.00 0.00 177.39 177.99 2h1x s THR 43 N -2.48 0.00 -0.10 -5.08 -1.32 -1.07 -5.00 115.64 100.59 2h1x s THR 43 Ca -0.35 -0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 2h1x s THR 43 Cb 0.11 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2h1x s THR 43 CO 0.55 -0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 173.18 2h1x s THR 44 N -0.22 1.76 0.26 5.08 -4.23 -1.26 0.09 115.64 117.13 2h1x s THR 44 Ca -0.04 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2h1x s THR 44 Cb -0.03 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.25 2h1x s THR 44 CO 0.04 0.49 0.13 0.61 -0.54 0.00 0.00 174.62 175.36 2h1x n GLY 45 N 3.77 3.43 2.89 3.99 0.00 0.53 -4.99 105.19 114.80 2h1x n GLY 45 Ca -0.20 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 2h1x n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h1x s ILE 46 N -2.71 0.24 0.57 -0.61 1.01 -1.26 -1.40 121.20 117.05 2h1x s ILE 46 Ca 0.19 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.58 2h1x s ILE 46 Cb 0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2h1x s ILE 46 CO 0.13 0.10 1.12 0.42 0.00 0.00 0.00 174.94 176.72 2h1x s THR 47 N 0.29 3.19 0.62 2.92 -4.23 -0.29 -4.77 115.64 113.38 2h1x s THR 47 Ca -0.03 0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 2h1x s THR 47 Cb -0.06 -3.24 0.12 0.00 1.34 0.00 0.00 72.50 70.67 2h1x s THR 47 CO -0.01 -0.21 0.85 -0.46 -0.54 0.00 0.00 174.62 174.25 2h1x n ASN 48 N -1.59 1.08 0.29 3.99 0.23 0.22 -1.51 115.26 117.97 2h1x n ASN 48 Ca 0.11 -1.92 0.18 0.00 -0.53 0.00 0.00 54.58 52.42 2h1x n ASN 48 Cb 0.51 -0.56 0.98 0.00 -2.08 0.00 0.00 39.78 38.63 2h1x n ASN 48 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2h1x h ASP 49 N -0.55 0.00 0.14 0.53 3.45 -1.93 0.36 116.42 118.42 2h1x h ASP 49 Ca -0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.18 2h1x h ASP 49 Cb 1.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 2h1x h ASP 49 CO 0.29 0.00 -0.19 -0.67 -1.57 0.00 0.00 179.24 177.10 2h1x n ASP 50 N -2.82 1.32 0.00 6.45 -0.08 -1.26 -4.69 116.55 115.47 2h1x n ASP 50 Ca -0.02 -1.16 0.00 0.00 -1.51 0.00 0.00 54.79 52.10 2h1x n ASP 50 Cb 0.13 0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.71 2h1x n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h1x n GLY 51 N 1.30 0.57 3.89 0.27 0.00 0.13 -4.77 105.19 106.58 2h1x n GLY 51 Ca 0.14 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.24 2.61 -0.39 1.61 0.52 -1.26 -0.44 118.95 121.36 2h1x s ARG 52 Ca 0.00 -1.45 0.03 0.00 -0.52 0.00 0.00 55.73 53.79 2h1x s ARG 52 Cb 0.00 -2.45 0.16 0.00 0.52 0.00 0.00 34.95 33.18 2h1x s ARG 52 CO 0.00 -0.15 0.35 0.00 0.02 0.00 0.00 175.30 175.52 2h1x s PRO 54 N 0.79 2.62 -0.67 0.00 0.04 -1.26 -4.10 135.00 132.42 2h1x s PRO 54 Ca 0.24 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 2h1x s PRO 54 Cb -0.09 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2h1x s PRO 54 CO -0.08 -1.37 0.33 0.41 0.04 0.00 0.00 177.00 176.33 2h1x n GLY 55 N -1.03 0.19 0.21 0.56 0.00 -1.26 -4.95 105.19 98.91 2h1x n GLY 55 Ca 0.09 -0.35 -0.03 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 -0.76 0.34 -7.00 0.99 3.38 -1.76 -3.46 115.31 107.03 2h1x h LEU 56 Ca -0.24 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2h1x h LEU 56 Cb 1.16 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2h1x h LEU 56 CO 0.25 0.68 0.20 -0.51 0.09 0.00 0.00 178.44 179.15 2h1x s ILE 57 N -4.26 0.00 0.34 1.22 2.07 -1.26 -4.72 121.20 114.59 2h1x s ILE 57 Ca -0.05 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.10 2h1x s ILE 57 Cb 0.13 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.66 2h1x s ILE 57 CO 0.78 0.00 0.67 0.42 -1.91 0.00 0.00 174.94 174.90 2h1x s THR 58 N -2.58 4.88 0.23 4.00 -4.23 -1.26 -4.19 115.64 112.49 2h1x s THR 58 Ca -0.04 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2h1x s THR 58 Cb -0.01 -3.72 0.19 0.00 1.34 0.00 0.00 72.50 70.31 2h1x s THR 58 CO -0.02 -0.39 1.80 0.50 -0.54 0.00 0.00 174.62 175.96 2h1x h LYS 59 N 1.58 0.68 -0.93 3.99 1.63 -1.96 -1.43 116.57 120.13 2h1x h LYS 59 Ca -0.47 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.36 2h1x h LYS 59 Cb 1.19 -0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.60 2h1x h LYS 59 CO 0.65 0.45 0.59 0.93 -3.45 0.00 0.00 179.45 178.61 2h1x h GLU 60 N 0.70 1.01 -0.00 1.90 5.08 -1.99 -2.40 114.58 118.88 2h1x h GLU 60 Ca 0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2h1x h GLU 60 Cb 0.34 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2h1x h GLU 60 CO -0.25 0.67 -0.20 -1.71 -1.00 0.00 0.00 179.01 176.52 2h1x n ASN 61 N -4.58 0.51 -4.58 1.42 5.15 -0.74 -4.67 115.26 107.78 2h1x n ASN 61 Ca 0.14 -0.41 -0.42 0.00 -0.60 0.00 0.00 54.58 53.29 2h1x n ASN 61 Cb 0.20 -0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.42 2h1x n ASN 61 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2h1x s PHE 62 N -2.66 2.72 0.32 1.20 5.36 -0.62 -4.93 117.98 119.38 2h1x s PHE 62 Ca 0.22 -1.47 0.05 0.00 -0.96 0.00 0.00 56.93 54.78 2h1x s PHE 62 Cb 0.19 -4.72 -0.01 0.00 -0.34 0.00 0.00 43.02 38.14 2h1x s PHE 62 CO 0.54 -1.80 0.46 0.96 -1.46 0.00 0.00 175.22 173.92 2h1x s ILE 63 N 4.59 4.42 0.41 3.12 -4.36 -1.26 -4.94 121.20 123.18 2h1x s ILE 63 Ca 0.54 -0.93 -0.26 0.00 -0.26 0.00 0.00 60.65 59.74 2h1x s ILE 63 Cb 0.03 -3.55 -0.09 0.00 1.25 0.00 0.00 42.46 40.10 2h1x s ILE 63 CO 0.07 -0.23 1.33 0.00 0.24 0.00 0.00 174.94 176.34 2h1x s ALA 64 N -2.16 3.28 0.00 2.27 0.00 -1.26 -4.92 121.76 118.97 2h1x s ALA 64 Ca 0.42 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2h1x s ALA 64 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2h1x s ALA 64 CO 0.31 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2h1x n GLY 65 N 0.65 -1.22 3.53 0.00 0.00 -0.34 -5.01 105.19 102.80 2h1x n GLY 65 Ca 0.04 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 4.63 0.30 1.61 1.01 -1.26 -0.61 120.40 123.08 2h1x s VAL 66 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2h1x s VAL 66 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2h1x s VAL 66 CO 0.00 0.36 0.12 -0.31 0.00 0.00 0.00 175.10 175.26 2h1x s TYR 67 N 1.28 2.80 -0.09 5.22 2.02 -0.48 -0.10 117.35 128.00 2h1x s TYR 67 Ca 0.05 -0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 2h1x s TYR 67 Cb -0.15 -1.45 0.05 0.00 -0.40 0.00 0.00 41.96 40.01 2h1x s TYR 67 CO 0.04 0.46 0.19 0.21 -1.57 0.00 0.00 175.55 174.88 2h1x s LYS 68 N -3.80 0.11 -0.22 -0.62 2.20 -0.64 -1.25 119.74 115.51 2h1x s LYS 68 Ca 0.35 0.53 -0.06 0.00 -0.36 0.00 0.00 55.97 56.43 2h1x s LYS 68 Cb -0.05 -0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 2h1x s LYS 68 CO 0.22 -0.23 0.02 -1.64 -0.36 0.00 0.00 175.35 173.37 2h1x s MET 69 N 1.73 3.58 -0.31 4.03 -1.94 0.52 -1.10 119.30 125.82 2h1x s MET 69 Ca -0.04 -0.52 -0.10 0.00 -1.71 0.00 0.00 55.69 53.32 2h1x s MET 69 Cb -0.12 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 2h1x s MET 69 CO -0.07 -0.10 0.16 0.50 -0.01 0.00 0.00 175.02 175.49 2h1x s ARG 70 N 1.32 3.43 -0.18 2.03 3.52 -0.22 -0.03 118.95 128.83 2h1x s ARG 70 Ca 0.04 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 54.85 2h1x s ARG 70 Cb -0.15 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 2h1x s ARG 70 CO 0.01 -0.38 0.29 -0.06 -0.81 0.00 0.00 175.30 174.36 2h1x s PHE 71 N 1.64 3.43 -1.21 5.12 0.08 0.21 -1.23 117.98 126.02 2h1x s PHE 71 Ca 0.05 0.55 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 2h1x s PHE 71 Cb -0.17 -2.36 0.20 0.00 -0.57 0.00 0.00 43.02 40.12 2h1x s PHE 71 CO 0.07 0.18 1.53 0.39 -0.10 0.00 0.00 175.22 177.29 2h1x n GLU 72 N 3.80 3.58 -0.15 0.44 -0.58 -0.42 -0.65 120.64 126.65 2h1x n GLU 72 Ca -0.12 -3.91 -0.11 0.00 -0.42 0.00 0.00 57.16 52.60 2h1x n GLU 72 Cb 0.52 -2.89 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 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 4.11 1.27 -0.76 2.62 1.35 -1.84 -2.39 112.91 117.28 2h1x h THR 73 Ca 0.31 -1.41 -0.05 0.00 -0.55 0.00 0.00 66.41 64.71 2h1x h THR 73 Cb 0.77 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 2h1x h THR 73 CO 1.34 0.48 0.29 1.23 -0.25 0.00 0.00 175.52 178.61 2h1x h GLY 74 N 0.87 1.22 2.00 5.82 0.00 -1.22 -1.44 103.07 110.32 2h1x h GLY 74 Ca 0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 2h1x h GLY 74 CO 0.07 0.63 -0.52 0.50 0.00 0.00 0.00 176.54 177.23 2h1x h LYS 75 N 1.10 0.00 -0.17 4.80 1.57 -1.74 -1.84 116.57 120.28 2h1x h LYS 75 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2h1x h LYS 75 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2h1x h LYS 75 CO -0.02 0.52 0.04 -0.92 -0.57 0.00 0.00 179.45 178.49 2h1x h TYR 76 N 0.00 0.29 -0.28 -1.35 3.20 -0.85 -2.55 116.97 115.44 2h1x h TYR 76 Ca -0.01 -0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.66 2h1x h TYR 76 Cb 1.06 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2h1x h TYR 76 CO 0.00 0.42 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.94 2h1x h TRP 77 N 0.08 0.98 -0.52 -3.82 4.06 -1.25 -3.15 115.95 112.33 2h1x h TRP 77 Ca 0.05 -0.34 -0.04 0.00 2.06 0.00 0.00 58.89 60.63 2h1x h TRP 77 Cb 0.28 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 2h1x h TRP 77 CO 0.01 1.14 0.18 0.22 -3.56 0.00 0.00 178.44 176.43 2h1x h ASP 78 N 0.62 0.75 0.07 -3.49 3.58 -1.06 0.55 116.42 117.44 2h1x h ASP 78 Ca 0.02 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2h1x h ASP 78 Cb 1.10 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2h1x h ASP 78 CO 0.11 0.74 0.00 0.00 -2.88 0.00 0.00 179.24 177.21 2h1x n ALA 79 N -2.36 1.76 0.42 -0.78 0.00 -0.96 -0.73 120.51 117.86 2h1x n ALA 79 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.46 2h1x n ALA 79 Cb 0.18 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.52 2h1x n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h1x n LEU 80 N -1.11 1.82 0.00 0.00 4.77 -0.30 -4.99 117.00 117.18 2h1x n LEU 80 Ca 0.06 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 2h1x n LEU 80 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2h1x n LEU 80 CO 0.06 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2h1x n GLY 81 N 0.59 0.38 3.25 -0.72 0.00 0.09 -5.05 105.19 103.73 2h1x n GLY 81 Ca 0.06 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.26 1.06 0.23 1.61 2.02 0.03 -4.99 118.70 116.40 2h1x s GLU 82 Ca 0.00 -1.36 -0.06 0.00 0.02 0.00 0.00 54.97 53.57 2h1x s GLU 82 Cb 0.00 -0.78 -0.06 0.00 0.10 0.00 0.00 34.13 33.39 2h1x s GLU 82 CO 0.00 0.13 0.50 -0.08 0.02 0.00 0.00 175.26 175.82 2h1x s THR 83 N -2.74 5.05 -0.02 3.63 -1.32 -1.26 -2.58 115.64 116.40 2h1x s THR 83 Ca 0.13 0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.81 2h1x s THR 83 Cb -0.01 -3.67 -0.02 0.00 -1.51 0.00 0.00 72.50 67.29 2h1x s THR 83 CO 0.02 -0.15 -0.21 0.00 -2.21 0.00 0.00 174.62 172.08 2h1x h PHE 85 N 5.66 0.09 -3.51 0.00 3.57 -1.62 -3.40 116.94 117.73 2h1x h PHE 85 Ca -0.39 -0.01 -0.65 0.00 3.53 0.00 0.00 57.97 60.45 2h1x h PHE 85 Cb 1.14 -0.03 -0.25 0.00 2.79 0.00 0.00 35.95 39.60 2h1x h PHE 85 CO 0.40 0.20 -0.67 0.71 -2.23 0.00 0.00 178.31 176.72 2h1x s TYR 86 N -4.78 3.02 0.33 0.41 2.02 -1.26 -4.98 117.35 112.11 2h1x s TYR 86 Ca -0.05 -0.67 0.15 0.00 -0.37 0.00 0.00 57.07 56.13 2h1x s TYR 86 Cb 0.16 -2.16 0.75 0.00 -0.40 0.00 0.00 41.96 40.31 2h1x s TYR 86 CO 0.70 -0.44 1.81 -1.00 -1.57 0.00 0.00 175.55 175.06 2h1x h PRO 87 N 8.11 0.00 -3.15 -1.71 0.13 -1.95 -3.22 132.00 130.21 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 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2h1x h PRO 87 CO 0.59 0.38 0.14 1.52 -0.23 0.00 0.00 178.00 180.40 2h1x s TYR 88 N -4.02 -0.16 -0.10 1.56 1.13 -1.26 -1.34 117.35 113.15 2h1x s TYR 88 Ca -0.02 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2h1x s TYR 88 Cb 0.13 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.57 2h1x s TYR 88 CO 0.71 -1.08 -0.09 0.08 -2.51 0.00 0.00 175.55 172.66 2h1x s VAL 89 N -3.90 1.06 -0.16 -3.49 1.01 0.17 -4.87 120.40 110.23 2h1x s VAL 89 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2h1x s VAL 89 Cb -0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2h1x s VAL 89 CO 0.02 0.36 -0.06 -1.61 0.00 0.00 0.00 175.10 173.81 2h1x s GLU 90 N 1.42 3.55 -0.24 2.72 2.02 -1.26 0.68 118.70 127.60 2h1x s GLU 90 Ca -0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 2h1x s GLU 90 Cb -0.13 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 2h1x s GLU 90 CO -0.05 0.17 -0.01 0.42 0.02 0.00 0.00 175.26 175.81 2h1x s ILE 91 N 0.54 3.62 -0.17 -1.63 1.01 0.96 -4.93 121.20 120.59 2h1x s ILE 91 Ca -0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 2h1x s ILE 91 Cb -0.15 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2h1x s ILE 91 CO 0.03 0.36 -0.01 -0.69 0.00 0.00 0.00 174.94 174.63 2h1x s VAL 92 N 1.51 4.03 0.00 2.92 1.01 -1.26 -0.36 120.40 128.24 2h1x s VAL 92 Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2h1x s VAL 92 Cb -0.15 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 2h1x s VAL 92 CO -0.01 0.47 0.09 0.72 0.00 0.00 0.00 175.10 176.36 2h1x s PHE 93 N 0.57 0.08 -0.20 5.22 -0.71 -0.38 -5.00 117.98 117.56 2h1x s PHE 93 Ca -0.01 -0.20 -0.15 0.00 -1.04 0.00 0.00 56.93 55.53 2h1x s PHE 93 Cb -0.14 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2h1x s PHE 93 CO 0.02 -0.23 0.34 0.99 -1.34 0.00 0.00 175.22 175.00 2h1x s THR 94 N -1.24 5.25 -0.27 -4.49 2.01 -1.26 -1.38 115.64 114.25 2h1x s THR 94 Ca -0.13 0.60 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 2h1x s THR 94 Cb -0.07 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2h1x s THR 94 CO 0.01 0.30 0.10 -0.63 -0.69 0.00 0.00 174.62 173.70 2h1x s ILE 95 N 1.06 4.38 -0.11 1.82 -1.09 0.22 -4.95 121.20 122.53 2h1x s ILE 95 Ca 0.17 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.31 2h1x s ILE 95 Cb -0.14 -3.13 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 2h1x s ILE 95 CO 0.07 0.23 -0.10 0.35 -1.23 0.00 0.00 174.94 174.26 2h1x n THR 96 N 4.94 0.64 -3.15 2.92 -2.24 -1.26 -1.20 114.28 114.92 2h1x n THR 96 Ca -0.15 -0.24 -0.45 0.00 -2.27 0.00 0.00 64.05 60.93 2h1x n THR 96 Cb 0.50 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 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 -5.10 6.41 0.00 3.42 3.84 -1.26 -4.85 114.94 117.40 2h1x s ASN 97 Ca -0.15 -1.90 0.24 0.00 0.21 0.00 0.00 52.86 51.26 2h1x s ASN 97 Cb 0.04 -2.29 1.43 0.00 -0.55 0.00 0.00 41.25 39.88 2h1x s ASN 97 CO 0.26 -0.94 1.80 1.07 -2.79 0.00 0.00 177.10 176.49 2h1x n THR 98 N 5.11 0.00 1.32 -5.21 5.66 -1.26 -3.20 114.28 116.70 2h1x n THR 98 Ca 0.02 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.15 2h1x n THR 98 Cb 0.44 -0.60 0.43 0.00 -1.55 0.00 0.00 70.33 69.06 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 -0.98 1.11 -4.80 1.09 3.41 -1.26 -4.92 113.62 107.26 2h1x n SER 99 Ca 0.18 -1.02 -0.26 0.00 -0.26 0.00 0.00 58.87 57.51 2h1x n SER 99 Cb 0.08 0.09 -0.05 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 -2.37 2.92 0.13 4.33 -0.21 -1.19 -5.11 119.66 118.14 2h1x s GLN 100 Ca 0.28 -0.89 -0.19 0.00 0.02 0.00 0.00 55.36 54.58 2h1x s GLN 100 Cb 0.20 -2.64 -0.07 0.00 1.00 0.00 0.00 33.01 31.49 2h1x s GLN 100 CO 0.47 0.47 0.62 -1.58 -2.12 0.00 0.00 175.29 173.16 2h1x s HIS 101 N -1.80 3.76 -0.21 0.91 5.65 -1.26 -4.94 115.29 117.40 2h1x s HIS 101 Ca 0.31 1.31 0.01 0.00 0.25 0.00 0.00 55.06 56.95 2h1x s HIS 101 Cb -0.10 -2.54 0.05 0.00 -1.18 0.00 0.00 32.58 28.81 2h1x s HIS 101 CO 0.24 0.51 -0.09 0.71 -0.65 0.00 0.00 174.74 175.46 2h1x s TYR 102 N -1.25 2.44 -0.22 3.88 2.02 0.25 -4.54 117.35 119.94 2h1x s TYR 102 Ca 0.34 -1.66 -0.06 0.00 -0.37 0.00 0.00 57.07 55.32 2h1x s TYR 102 Cb -0.19 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2h1x s TYR 102 CO 0.20 -0.75 0.04 -1.58 -1.57 0.00 0.00 175.55 171.89 2h1x s HIS 103 N 1.39 3.08 -0.57 2.71 5.65 -0.54 -1.31 115.29 125.70 2h1x s HIS 103 Ca -0.03 -0.38 0.04 0.00 0.25 0.00 0.00 55.06 54.95 2h1x s HIS 103 Cb -0.17 -2.15 0.16 0.00 -1.18 0.00 0.00 32.58 29.25 2h1x s HIS 103 CO -0.07 -0.24 0.40 0.14 -0.65 0.00 0.00 174.74 174.32 2h1x s VAL 104 N 1.17 1.86 0.78 0.89 -7.23 -0.24 -0.10 120.40 117.54 2h1x s VAL 104 Ca 0.04 -3.49 -0.12 0.00 -1.81 0.00 0.00 61.98 56.60 2h1x s VAL 104 Cb -0.14 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.61 2h1x s VAL 104 CO 0.02 -1.06 1.15 -2.16 -0.31 0.00 0.00 175.10 172.74 2h1x s PRO 105 N -0.69 2.21 -0.11 4.82 0.04 -1.25 -4.33 135.00 135.68 2h1x s PRO 105 Ca 0.26 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 2h1x s PRO 105 Cb -0.05 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2h1x s PRO 105 CO -0.15 -1.43 -0.05 -1.17 0.04 0.00 0.00 177.00 174.23 2h1x s LEU 106 N -5.50 1.10 -0.24 -3.56 2.96 0.51 -3.96 118.68 109.99 2h1x s LEU 106 Ca 0.61 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.09 2h1x s LEU 106 Cb -0.11 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 2h1x s LEU 106 CO 0.49 -0.15 0.24 -0.76 -1.32 0.00 0.00 176.35 174.86 2h1x s LEU 107 N 1.76 4.09 -0.00 -0.68 1.02 0.06 -0.92 118.68 124.01 2h1x s LEU 107 Ca 0.04 0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.42 2h1x s LEU 107 Cb -0.13 -2.24 -0.01 0.00 0.02 0.00 0.00 46.19 43.83 2h1x s LEU 107 CO -0.08 -0.02 -0.11 -0.22 0.02 0.00 0.00 176.35 175.95 2h1x s LEU 108 N 1.39 2.04 0.00 1.79 2.96 0.50 -0.64 118.68 126.72 2h1x s LEU 108 Ca 0.11 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2h1x s LEU 108 Cb -0.15 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.01 2h1x s LEU 108 CO 0.07 0.11 0.05 -1.54 -1.32 0.00 0.00 176.35 173.72 2h1x n SER 109 N 2.68 1.08 0.27 3.68 3.41 -0.44 -1.08 113.62 123.22 2h1x n SER 109 Ca -0.14 -1.76 0.16 0.00 -0.26 0.00 0.00 58.87 56.87 2h1x n SER 109 Cb 0.56 0.35 0.73 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.01 -3.30 114.38 116.48 2h1x h ARG 110 Ca -0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2h1x h ARG 110 Cb 0.42 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 2h1x h ARG 110 CO 0.18 0.06 -0.51 1.19 -1.07 0.00 0.00 179.97 179.81 2h1x n PHE 111 N -3.23 0.00 -3.52 3.04 3.72 -1.26 -1.47 117.46 114.73 2h1x n PHE 111 Ca -0.00 -0.64 -0.10 0.00 -0.05 0.00 0.00 57.45 56.65 2h1x n PHE 111 Cb 0.29 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -2.11 -0.42 0.02 4.37 1.04 -1.25 -5.04 113.70 110.32 2h1x s SER 112 Ca 0.23 0.22 -0.25 0.00 0.48 0.00 0.00 55.95 56.62 2h1x s SER 112 Cb 0.23 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2h1x s SER 112 CO -0.05 -0.55 0.58 -0.72 0.98 0.00 0.00 173.24 173.48 2h1x s TYR 113 N -2.28 -0.52 0.05 5.02 1.13 -1.26 -1.33 117.35 118.16 2h1x s TYR 113 Ca 0.01 0.69 -0.07 0.00 -1.41 0.00 0.00 57.07 56.29 2h1x s TYR 113 Cb -0.01 0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 41.24 2h1x s TYR 113 CO -0.04 -0.65 0.15 -1.54 -2.51 0.00 0.00 175.55 170.96 2h1x s SER 114 N -1.76 0.14 0.08 -0.18 1.04 0.18 -4.97 113.70 108.23 2h1x s SER 114 Ca -0.07 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 2h1x s SER 114 Cb -0.01 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2h1x s SER 114 CO 0.01 -0.60 0.16 0.28 0.98 0.00 0.00 173.24 174.08 2h1x s THR 115 N -3.06 0.15 0.07 2.02 -1.32 -1.26 -0.76 115.64 111.48 2h1x s THR 115 Ca -0.01 -1.24 -0.26 0.00 -1.21 0.00 0.00 61.69 58.97 2h1x s THR 115 Cb 0.01 -1.32 0.08 0.00 -1.51 0.00 0.00 72.50 69.76 2h1x s THR 115 CO -0.07 -0.68 0.67 -0.72 -2.21 0.00 0.00 174.62 171.61 2h1x s TYR 116 N -3.75 -0.55 0.10 9.09 1.13 -1.25 -5.06 117.35 117.06 2h1x s TYR 116 Ca 0.04 0.56 -0.28 0.00 -1.41 0.00 0.00 57.07 55.99 2h1x s TYR 116 Cb 0.05 0.51 -0.06 0.00 -1.10 0.00 0.00 41.96 41.36 2h1x s TYR 116 CO -0.10 -0.73 0.87 0.50 -2.51 0.00 0.00 175.55 173.57 2h1x s ARG 117 N -2.85 4.62 0.00 -3.49 3.52 -1.26 -3.97 118.95 115.52 2h1x s ARG 117 Ca -0.02 1.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 2h1x s ARG 117 Cb -0.01 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2h1x s ARG 117 CO -0.05 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 2h1x n GLY 118 N 2.21 4.99 0.00 8.12 0.00 0.86 -4.99 105.19 116.38 2h1x n GLY 118 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2h1x n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06