#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h s SER 2 N 0.00 5.55 0.06 1.61 1.04 -1.26 -5.12 113.70 115.58 1x5h s SER 2 Ca 0.00 0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.70 1x5h s SER 2 Cb 0.00 -1.60 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 1x5h s SER 2 CO 0.00 0.33 -0.26 -0.44 0.98 0.00 0.00 173.24 173.85 1x5h s SER 3 N -1.30 3.13 -0.36 7.02 0.01 -1.26 -5.04 113.70 115.91 1x5h s SER 3 Ca 0.18 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.88 1x5h s SER 3 Cb -0.12 -0.27 0.23 0.00 0.21 0.00 0.00 66.02 66.07 1x5h s SER 3 CO 0.08 0.24 1.21 0.61 0.41 0.00 0.00 173.24 175.79 1x5h n GLY 4 N 1.65 0.29 3.56 3.44 0.00 -1.26 -5.12 105.19 107.76 1x5h n GLY 4 Ca -0.17 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1x5h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5h s SER 5 N -0.69 6.43 -0.10 1.61 1.04 -1.26 -5.04 113.70 115.68 1x5h s SER 5 Ca 0.13 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1x5h s SER 5 Cb 0.23 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 1x5h s SER 5 CO -0.05 -0.67 -0.12 -0.94 0.98 0.00 0.00 173.24 172.44 1x5h s SER 6 N 1.86 4.15 0.30 7.02 1.04 -1.26 -5.04 113.70 121.76 1x5h s SER 6 Ca 0.26 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1x5h s SER 6 Cb -0.14 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1x5h s SER 6 CO 0.16 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1x5h n GLY 7 N 3.02 1.75 3.64 7.32 0.00 -1.26 -4.83 105.19 114.84 1x5h n GLY 7 Ca -0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 1x5h n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x5h s ASP 8 N -4.00 -0.39 -0.05 1.61 2.15 -1.26 -5.18 116.67 109.56 1x5h s ASP 8 Ca 0.00 0.74 -0.05 0.00 0.43 0.00 0.00 52.55 53.67 1x5h s ASP 8 Cb 0.00 0.75 0.01 0.00 -0.30 0.00 0.00 42.92 43.39 1x5h s ASP 8 CO 0.00 -0.13 0.14 -0.69 -0.17 0.00 0.00 175.17 174.32 1x5h s VAL 9 N 0.19 0.01 -0.65 1.11 1.01 -1.26 -5.06 120.40 115.75 1x5h s VAL 9 Ca 0.04 -0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1x5h s VAL 9 Cb -0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 36.38 35.90 1x5h s VAL 9 CO -0.08 -0.03 1.85 0.00 0.00 0.00 0.00 175.10 176.85 1x5h n ALA 10 N 2.90 2.36 -3.62 5.51 0.00 -1.26 -4.77 120.51 121.63 1x5h n ALA 10 Ca -0.13 -3.07 -0.19 0.00 0.00 0.00 0.00 53.44 50.04 1x5h n ALA 10 Cb 0.59 -3.63 -0.16 0.00 0.00 0.00 0.00 19.45 16.25 1x5h n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5h s VAL 11 N 6.84 -0.22 -1.00 0.00 1.01 -1.26 -5.09 120.40 120.69 1x5h s VAL 11 Ca 0.63 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1x5h s VAL 11 Cb 0.12 -0.40 0.15 0.00 0.00 0.00 0.00 36.38 36.25 1x5h s VAL 11 CO 0.18 -0.00 1.17 -0.13 0.00 0.00 0.00 175.10 176.32 1x5h s ARG 12 N 2.25 3.75 -0.06 2.72 1.81 -1.26 -5.01 118.95 123.15 1x5h s ARG 12 Ca 0.04 -2.09 -0.03 0.00 -1.72 0.00 0.00 55.73 51.93 1x5h s ARG 12 Cb -0.14 -4.90 -0.04 0.00 -0.45 0.00 0.00 34.95 29.43 1x5h s ARG 12 CO -0.07 -1.71 0.11 0.95 -0.68 0.00 0.00 175.30 173.90 1x5h s THR 13 N 2.03 5.07 -0.13 0.02 -4.23 -1.26 -5.00 115.64 112.13 1x5h s THR 13 Ca 0.34 -0.11 0.19 0.00 -1.18 0.00 0.00 61.69 60.92 1x5h s THR 13 Cb -0.05 -3.26 -0.18 0.00 1.34 0.00 0.00 72.50 70.35 1x5h s THR 13 CO -0.07 0.49 0.63 0.00 -0.54 0.00 0.00 174.62 175.13 1x5h n LEU 14 N 1.59 0.53 -3.87 4.79 -0.00 -1.26 -4.97 117.00 113.81 1x5h n LEU 14 Ca -0.16 0.23 -0.10 0.00 -0.00 0.00 0.00 56.01 55.98 1x5h n LEU 14 Cb 0.54 0.13 -0.09 0.00 -0.00 0.00 0.00 43.42 44.00 1x5h n LEU 14 CO 0.35 0.15 -0.13 -0.55 -0.00 0.00 0.00 177.39 177.21 1x5h s SER 15 N -5.44 0.08 -0.13 1.45 0.15 -1.26 -5.08 113.70 103.47 1x5h s SER 15 Ca -0.05 -0.43 -0.16 0.00 0.70 0.00 0.00 55.95 56.01 1x5h s SER 15 Cb 0.09 0.27 -0.14 0.00 -1.71 0.00 0.00 66.02 64.53 1x5h s SER 15 CO 0.83 -0.55 0.41 0.44 1.20 0.00 0.00 173.24 175.57 1x5h h ASP 16 N 3.47 0.00 -2.69 5.45 5.19 -1.93 -3.47 116.42 122.44 1x5h h ASP 16 Ca -0.32 -0.55 -0.57 0.00 -0.62 0.00 0.00 57.03 54.97 1x5h h ASP 16 Cb 1.19 0.00 0.19 0.00 0.18 0.00 0.00 39.33 40.89 1x5h h ASP 16 CO 0.49 0.80 -0.81 1.33 -3.12 0.00 0.00 179.24 177.94 1x5h n VAL 17 N -4.68 1.08 -2.26 -1.35 0.24 -1.26 -4.88 118.33 105.22 1x5h n VAL 17 Ca -0.06 -0.45 -0.37 0.00 -2.04 0.00 0.00 64.34 61.42 1x5h n VAL 17 Cb 0.28 -0.43 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 1x5h n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5h s PRO 18 N -2.12 3.73 -0.38 7.34 0.04 -1.26 -4.99 135.00 137.36 1x5h s PRO 18 Ca 0.60 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1x5h s PRO 18 Cb -0.37 -2.38 0.44 0.00 0.04 0.00 0.00 34.50 32.23 1x5h s PRO 18 CO 0.63 -0.57 1.10 0.43 0.04 0.00 0.00 177.00 178.63 1x5h n SER 19 N -0.54 4.08 -3.48 6.66 7.64 -1.26 -4.10 113.62 122.63 1x5h n SER 19 Ca 0.08 -3.48 -0.10 0.00 1.01 0.00 0.00 58.87 56.39 1x5h n SER 19 Cb 0.48 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.15 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5h s ALA 20 N -3.50 -1.04 0.66 -0.43 0.00 -1.26 -5.00 121.76 111.18 1x5h s ALA 20 Ca 0.44 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.39 1x5h s ALA 20 Cb 0.41 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1x5h s ALA 20 CO -0.10 -1.05 1.03 0.00 0.00 0.00 0.00 175.76 175.64 1x5h s ALA 21 N 2.55 3.04 0.18 0.00 0.00 -1.26 -4.66 121.76 121.60 1x5h s ALA 21 Ca 0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1x5h s ALA 21 Cb -0.14 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 1x5h s ALA 21 CO -0.14 -0.98 1.31 -1.25 0.00 0.00 0.00 175.76 174.70 1x5h s PRO 22 N -5.22 4.38 0.35 0.00 0.04 -1.26 -4.46 135.00 128.83 1x5h s PRO 22 Ca 0.56 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1x5h s PRO 22 Cb -0.11 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.29 1x5h s PRO 22 CO 0.50 -0.27 0.48 1.04 0.04 0.00 0.00 177.00 178.79 1x5h n GLN 23 N 2.85 0.58 -3.77 4.56 6.02 -0.84 -4.57 117.38 122.21 1x5h n GLN 23 Ca 0.07 -1.64 -0.29 0.00 -0.01 0.00 0.00 57.00 55.13 1x5h n GLN 23 Cb 0.43 -0.22 0.02 0.00 1.02 0.00 0.00 30.24 31.49 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 24 N -2.75 -4.71 -4.79 1.08 3.02 -1.26 -0.48 115.26 105.38 1x5h n ASN 24 Ca 0.09 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.63 1x5h n ASN 24 Cb 0.33 -3.78 0.01 0.00 -0.61 0.00 0.00 39.78 35.73 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x5h s LEU 25 N -7.11 3.56 -0.05 3.41 2.96 -1.26 -4.18 118.68 116.01 1x5h s LEU 25 Ca 0.60 1.90 -0.31 0.00 -0.22 0.00 0.00 54.13 56.10 1x5h s LEU 25 Cb -0.30 -4.55 0.11 0.00 0.50 0.00 0.00 46.19 41.95 1x5h s LEU 25 CO 0.74 -1.19 1.03 -0.44 -1.32 0.00 0.00 176.35 175.17 1x5h s SER 26 N -2.53 -0.24 -0.33 3.68 0.01 0.42 -4.95 113.70 109.75 1x5h s SER 26 Ca 0.66 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.86 1x5h s SER 26 Cb -0.18 0.30 0.11 0.00 0.21 0.00 0.00 66.02 66.46 1x5h s SER 26 CO 0.34 -0.50 0.12 -0.76 0.41 0.00 0.00 173.24 172.86 1x5h s LEU 27 N -2.47 2.39 -1.12 2.44 1.43 -1.26 -1.20 118.68 118.88 1x5h s LEU 27 Ca 0.08 -1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 51.17 1x5h s LEU 27 Cb -0.01 -0.91 0.11 0.00 0.03 0.00 0.00 46.19 45.41 1x5h s LEU 27 CO -0.06 -0.39 1.44 -0.70 0.23 0.00 0.00 176.35 176.87 1x5h s GLU 28 N 1.38 3.85 -0.79 1.70 2.12 0.55 -4.89 118.70 122.61 1x5h s GLU 28 Ca 0.11 -1.94 -0.23 0.00 0.36 0.00 0.00 54.97 53.27 1x5h s GLU 28 Cb -0.19 -5.21 -0.18 0.00 0.26 0.00 0.00 34.13 28.82 1x5h s GLU 28 CO -0.20 -1.98 2.41 0.28 -0.54 0.00 0.00 175.26 175.23 1x5h n VAL 29 N 5.73 -0.02 -0.02 3.70 0.31 -1.26 -2.46 118.33 124.30 1x5h n VAL 29 Ca 0.36 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 64.07 1x5h n VAL 29 Cb 0.47 -1.55 -0.07 0.00 -0.91 0.00 0.00 33.84 31.78 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 14.07 0.14 0.00 5.55 2.47 -1.90 -3.47 114.38 131.24 1x5h h ARG 30 Ca -0.06 -0.04 -0.28 0.00 -1.26 0.00 0.00 59.98 58.34 1x5h h ARG 30 Cb 1.15 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.38 1x5h h ARG 30 CO 1.24 0.35 -0.27 0.09 0.56 0.00 0.00 179.97 181.94 1x5h n ASN 31 N -4.87 -0.25 0.08 7.04 3.02 -1.15 -5.01 115.26 114.12 1x5h n ASN 31 Ca -0.06 -2.27 -0.12 0.00 -0.03 0.00 0.00 54.58 52.10 1x5h n ASN 31 Cb 0.16 0.93 -0.05 0.00 -0.61 0.00 0.00 39.78 40.22 1x5h n ASN 31 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x5h h SER 32 N 1.16 0.37 -0.61 6.41 4.64 -1.86 -3.19 113.55 120.47 1x5h h SER 32 Ca -0.14 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1x5h h SER 32 Cb 0.70 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1x5h h SER 32 CO 0.21 1.15 0.00 2.29 -0.87 0.00 0.00 176.83 179.60 1x5h n LYS 33 N -3.66 3.64 -3.83 4.77 -0.00 -1.26 -3.89 118.16 113.93 1x5h n LYS 33 Ca -0.05 -2.84 -0.11 0.00 -0.00 0.00 0.00 58.31 55.31 1x5h n LYS 33 Cb 0.86 -1.85 -0.09 0.00 -0.00 0.00 0.00 35.03 33.95 1x5h n LYS 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5h s SER 34 N -0.99 -0.01 -0.23 -5.58 0.15 -1.21 -0.04 113.70 105.79 1x5h s SER 34 Ca 0.49 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 1x5h s SER 34 Cb 0.32 0.28 0.12 0.00 -1.71 0.00 0.00 66.02 65.03 1x5h s SER 34 CO 0.23 -0.52 0.34 -0.63 1.20 0.00 0.00 173.24 173.87 1x5h s ILE 35 N -2.21 -0.54 0.33 6.45 1.01 -0.05 -2.93 121.20 123.25 1x5h s ILE 35 Ca -0.08 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 1x5h s ILE 35 Cb -0.03 -0.78 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 1x5h s ILE 35 CO -0.02 -0.14 0.98 -0.32 0.00 0.00 0.00 174.94 175.45 1x5h s MET 36 N 2.49 4.53 -0.08 2.79 -2.45 -1.03 -1.63 119.30 123.93 1x5h s MET 36 Ca 0.11 1.44 0.04 0.00 -1.25 0.00 0.00 55.69 56.03 1x5h s MET 36 Cb -0.15 -2.84 -0.01 0.00 1.25 0.00 0.00 34.83 33.08 1x5h s MET 36 CO -0.15 0.20 -0.22 0.42 1.05 0.00 0.00 175.02 176.33 1x5h s ILE 37 N -1.53 2.31 -0.16 10.11 1.01 0.11 -0.33 121.20 132.72 1x5h s ILE 37 Ca 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1x5h s ILE 37 Cb -0.22 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.41 1x5h s ILE 37 CO 0.27 0.56 -0.11 -1.00 0.00 0.00 0.00 174.94 174.67 1x5h s HIS 38 N -0.00 2.02 0.37 3.97 3.76 -0.34 -1.85 115.29 123.21 1x5h s HIS 38 Ca -0.07 -1.19 0.04 0.00 -0.15 0.00 0.00 55.06 53.68 1x5h s HIS 38 Cb -0.15 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.02 1x5h s HIS 38 CO 0.05 -0.65 0.14 1.67 -0.85 0.00 0.00 174.74 175.11 1x5h s TRP 39 N 1.53 1.76 0.06 1.40 -2.14 -0.49 -0.44 118.94 120.62 1x5h s TRP 39 Ca 0.03 -1.31 0.03 0.00 2.66 0.00 0.00 56.10 57.51 1x5h s TRP 39 Cb -0.14 -1.06 -0.03 0.00 -3.10 0.00 0.00 33.47 29.14 1x5h s TRP 39 CO -0.09 -0.37 -0.09 -0.65 -2.66 0.00 0.00 176.95 173.09 1x5h s GLN 40 N -3.73 0.65 0.33 3.25 -1.52 0.37 -4.75 119.66 114.27 1x5h s GLN 40 Ca 0.29 -0.92 -0.28 0.00 -1.95 0.00 0.00 55.36 52.50 1x5h s GLN 40 Cb 0.04 -0.38 -0.10 0.00 -0.22 0.00 0.00 33.01 32.35 1x5h s GLN 40 CO 0.16 0.06 1.22 -1.25 -0.25 0.00 0.00 175.29 175.24 1x5h s PRO 41 N -2.08 4.39 1.04 2.91 0.04 -1.26 -1.98 135.00 138.06 1x5h s PRO 41 Ca -0.04 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1x5h s PRO 41 Cb -0.07 -3.04 0.21 0.00 0.04 0.00 0.00 34.50 31.64 1x5h s PRO 41 CO -0.00 -0.09 1.09 -1.25 0.04 0.00 0.00 177.00 176.79 1x5h s PRO 42 N -1.77 0.10 0.69 0.56 0.04 -1.26 -4.65 135.00 128.70 1x5h s PRO 42 Ca 0.49 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.78 1x5h s PRO 42 Cb -0.36 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1x5h s PRO 42 CO 0.47 -2.93 0.89 0.00 0.04 0.00 0.00 177.00 175.47 1x5h n ALA 43 N -4.30 -0.33 0.17 8.56 0.00 -1.26 -4.90 120.51 118.44 1x5h n ALA 43 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1x5h n ALA 43 Cb 0.58 -2.07 0.29 0.00 0.00 0.00 0.00 19.45 18.25 1x5h n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x5h h PRO 44 N -0.06 0.00 -0.02 0.00 0.13 -2.01 -2.95 132.00 127.09 1x5h h PRO 44 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1x5h h PRO 44 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 1x5h h PRO 44 CO 0.47 0.47 -0.61 0.00 -0.23 0.00 0.00 178.00 178.10 1x5h h ALA 45 N 1.53 0.95 -1.00 -0.56 0.00 -2.01 -3.13 119.26 115.05 1x5h h ALA 45 Ca -0.00 -0.55 -0.67 0.00 0.00 0.00 0.00 54.91 53.68 1x5h h ALA 45 Cb 0.85 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.25 1x5h h ALA 45 CO 0.06 0.76 0.85 0.25 0.00 0.00 0.00 179.25 181.17 1x5h n THR 46 N -3.83 3.60 -0.06 0.00 -2.24 -1.12 -4.41 114.28 106.23 1x5h n THR 46 Ca -0.01 -2.87 -0.13 0.00 -2.27 0.00 0.00 64.05 58.77 1x5h n THR 46 Cb 0.61 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.69 1x5h n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5h n GLN 47 N -0.94 0.28 -2.95 -0.78 6.02 -1.18 -4.05 117.38 113.78 1x5h n GLN 47 Ca 0.63 0.12 -0.19 0.00 -0.01 0.00 0.00 57.00 57.54 1x5h n GLN 47 Cb 0.73 -0.97 0.03 0.00 1.02 0.00 0.00 30.24 31.06 1x5h n GLN 47 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 48 N -3.65 -5.50 0.00 1.08 3.02 -1.26 -4.29 115.26 104.66 1x5h n ASN 48 Ca -0.23 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1x5h n ASN 48 Cb 0.61 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5h n GLY 49 N -1.45 0.15 3.81 7.41 0.00 -1.26 -4.89 105.19 108.97 1x5h n GLY 49 Ca -0.09 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1x5h n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5h s GLN 50 N -1.72 3.54 0.33 1.61 -2.07 -1.26 -5.07 119.66 115.02 1x5h s GLN 50 Ca 0.00 -0.19 -0.27 0.00 -1.82 0.00 0.00 55.36 53.07 1x5h s GLN 50 Cb 0.00 -3.18 -0.09 0.00 -1.09 0.00 0.00 33.01 28.65 1x5h s GLN 50 CO 0.00 0.66 1.07 0.42 -1.32 0.00 0.00 175.29 176.12 1x5h s ILE 51 N -0.70 3.60 -0.10 3.63 1.01 -1.26 -4.18 121.20 123.20 1x5h s ILE 51 Ca 0.13 1.44 -0.01 0.00 0.00 0.00 0.00 60.65 62.21 1x5h s ILE 51 Cb -0.12 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 1x5h s ILE 51 CO 0.03 0.22 -0.10 0.35 0.00 0.00 0.00 174.94 175.43 1x5h n THR 52 N 0.67 0.57 -3.68 2.92 -2.24 -0.15 -4.86 114.28 107.51 1x5h n THR 52 Ca 0.01 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 1x5h n THR 52 Cb 0.47 -1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 1x5h n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5h s GLY 53 N -5.03 -0.30 0.08 3.38 0.00 -1.23 -1.55 107.32 102.66 1x5h s GLY 53 Ca -0.14 0.30 0.06 0.00 0.00 0.00 0.00 44.72 44.94 1x5h s GLY 53 CO 0.22 0.08 -0.08 -0.19 0.00 0.00 0.00 173.10 173.13 1x5h s TYR 54 N -3.39 2.81 -0.57 1.90 2.02 -1.23 -0.39 117.35 118.50 1x5h s TYR 54 Ca 0.09 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 1x5h s TYR 54 Cb -0.02 -1.49 0.15 0.00 -0.40 0.00 0.00 41.96 40.20 1x5h s TYR 54 CO -0.01 0.42 0.37 0.21 -1.57 0.00 0.00 175.55 174.96 1x5h s LYS 55 N -2.04 2.35 -0.22 -0.62 2.20 0.11 -2.82 119.74 118.70 1x5h s LYS 55 Ca 0.21 -2.45 -0.24 0.00 -0.36 0.00 0.00 55.97 53.13 1x5h s LYS 55 Cb -0.11 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 1x5h s LYS 55 CO 0.13 -1.14 0.78 0.42 -0.36 0.00 0.00 175.35 175.18 1x5h s ILE 56 N 0.05 4.89 -0.04 5.43 1.01 -0.68 -3.02 121.20 128.83 1x5h s ILE 56 Ca 0.16 1.48 0.06 0.00 0.00 0.00 0.00 60.65 62.35 1x5h s ILE 56 Cb -0.22 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1x5h s ILE 56 CO -0.03 -0.01 -0.24 -0.13 0.00 0.00 0.00 174.94 174.53 1x5h s ARG 57 N 2.51 2.28 0.03 2.79 0.52 -0.14 -1.31 118.95 125.62 1x5h s ARG 57 Ca 0.34 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1x5h s ARG 57 Cb -0.16 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 1x5h s ARG 57 CO 0.09 0.41 -0.06 1.52 0.02 0.00 0.00 175.30 177.29 1x5h s TYR 58 N -0.27 0.49 0.10 -0.53 1.13 -1.21 -0.82 117.35 116.24 1x5h s TYR 58 Ca 0.01 -0.41 -0.02 0.00 -1.41 0.00 0.00 57.07 55.23 1x5h s TYR 58 Cb -0.12 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.40 1x5h s TYR 58 CO 0.02 -0.09 0.06 -0.98 -2.51 0.00 0.00 175.55 172.05 1x5h s ARG 59 N -1.22 0.84 0.28 -3.49 1.70 -0.66 -2.51 118.95 113.89 1x5h s ARG 59 Ca -0.09 -1.31 -0.28 0.00 -0.47 0.00 0.00 55.73 53.58 1x5h s ARG 59 Cb -0.08 0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 1x5h s ARG 59 CO -0.00 -0.23 0.95 0.15 -1.08 0.00 0.00 175.30 175.09 1x5h s LYS 60 N -3.98 4.73 -0.01 3.89 1.02 -1.26 -0.85 119.74 123.28 1x5h s LYS 60 Ca 0.16 1.45 0.02 0.00 0.02 0.00 0.00 55.97 57.62 1x5h s LYS 60 Cb 0.07 -3.08 0.08 0.00 -0.52 0.00 0.00 37.83 34.38 1x5h s LYS 60 CO -0.03 0.40 0.91 0.00 -0.92 0.00 0.00 175.35 175.71 1x5h n ALA 61 N 1.10 2.55 0.00 5.17 0.00 -1.14 -0.93 120.51 127.26 1x5h n ALA 61 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x5h n ALA 61 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1x5h n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x5h n SER 62 N -0.14 4.71 -0.08 0.00 7.64 -1.26 -4.80 113.62 119.68 1x5h n SER 62 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 1x5h n SER 62 Cb 0.17 0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 1x5h n SER 62 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1x5h n ARG 63 N -2.04 1.25 -3.72 1.43 0.63 -1.22 -4.98 116.66 108.02 1x5h n ARG 63 Ca 0.00 0.03 -0.26 0.00 -0.92 0.00 0.00 57.85 56.70 1x5h n ARG 63 Cb 0.49 -1.38 -0.05 0.00 0.45 0.00 0.00 32.46 31.97 1x5h n ARG 63 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x5h n LYS 64 N -2.70 -1.71 0.00 -0.14 4.01 -0.10 -4.60 118.16 112.91 1x5h n LYS 64 Ca -0.27 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1x5h n LYS 64 Cb 0.95 -4.66 0.00 0.00 -0.51 0.00 0.00 35.03 30.81 1x5h n LYS 64 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1x5h n SER 65 N -2.09 1.18 -4.57 4.39 2.88 -1.26 -5.03 113.62 109.13 1x5h n SER 65 Ca 0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.19 1x5h n SER 65 Cb 0.47 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 1x5h n SER 65 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x5h s ASP 66 N -2.99 6.48 0.03 -3.46 2.15 -1.26 -5.04 116.67 112.57 1x5h s ASP 66 Ca 0.00 0.17 0.08 0.00 0.43 0.00 0.00 52.55 53.23 1x5h s ASP 66 Cb 0.00 -2.37 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 1x5h s ASP 66 CO 0.00 -0.74 -0.25 -0.69 -0.17 0.00 0.00 175.17 173.33 1x5h s VAL 67 N 3.03 1.98 -0.03 1.11 1.01 -1.26 -3.98 120.40 122.25 1x5h s VAL 67 Ca 0.29 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1x5h s VAL 67 Cb -0.13 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1x5h s VAL 67 CO 0.18 0.39 -0.16 -0.89 0.00 0.00 0.00 175.10 174.61 1x5h s THR 68 N -0.73 2.91 -0.17 3.92 2.01 -1.04 -4.99 115.64 117.55 1x5h s THR 68 Ca 0.10 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1x5h s THR 68 Cb -0.10 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1x5h s THR 68 CO 0.01 0.54 0.19 -0.70 -0.69 0.00 0.00 174.62 173.98 1x5h s GLU 69 N -0.85 4.12 -0.23 4.92 -6.30 -1.26 -3.34 118.70 115.76 1x5h s GLU 69 Ca 0.12 -0.09 0.00 0.00 -2.50 0.00 0.00 54.97 52.50 1x5h s GLU 69 Cb -0.11 -3.39 0.06 0.00 0.00 0.00 0.00 34.13 30.69 1x5h s GLU 69 CO 0.01 0.35 -0.05 0.99 0.02 0.00 0.00 175.26 176.58 1x5h s THR 70 N 0.19 1.45 -0.16 -1.70 2.01 -0.43 -5.02 115.64 111.98 1x5h s THR 70 Ca 0.12 -1.15 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 1x5h s THR 70 Cb -0.12 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 1x5h s THR 70 CO 0.01 -0.09 0.32 -0.22 -0.69 0.00 0.00 174.62 173.95 1x5h s LEU 71 N 1.44 4.24 0.44 4.42 1.98 -1.26 -1.68 118.68 128.24 1x5h s LEU 71 Ca -0.05 0.54 0.03 0.00 -2.89 0.00 0.00 54.13 51.76 1x5h s LEU 71 Cb -0.19 -2.42 -0.03 0.00 0.66 0.00 0.00 46.19 44.21 1x5h s LEU 71 CO -0.06 0.07 0.07 0.68 -1.89 0.00 0.00 176.35 175.21 1x5h s VAL 72 N 0.57 0.97 0.61 1.68 -7.23 -1.13 -5.02 120.40 110.86 1x5h s VAL 72 Ca 0.18 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 1x5h s VAL 72 Cb -0.13 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1x5h s VAL 72 CO 0.05 0.00 1.05 -0.55 -0.31 0.00 0.00 175.10 175.33 1x5h s SER 73 N -3.70 5.83 0.07 4.85 0.15 -1.26 -3.54 113.70 116.09 1x5h s SER 73 Ca 0.20 1.71 -0.35 0.00 0.70 0.00 0.00 55.95 58.20 1x5h s SER 73 Cb 0.03 -2.52 -0.20 0.00 -1.71 0.00 0.00 66.02 61.63 1x5h s SER 73 CO 0.11 -1.14 1.60 1.23 1.20 0.00 0.00 173.24 176.24 1x5h h GLY 74 N 0.18 -1.18 1.58 9.45 0.00 -1.62 -2.78 103.07 108.70 1x5h h GLY 74 Ca -0.46 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1x5h h GLY 74 CO 0.58 -0.43 0.21 0.00 0.00 0.00 0.00 176.54 176.90 1x5h h THR 75 N -1.12 0.99 -2.21 4.70 1.03 -1.91 -3.41 112.91 110.98 1x5h h THR 75 Ca -0.11 -0.09 -0.56 0.00 -0.01 0.00 0.00 66.41 65.64 1x5h h THR 75 Cb 0.87 0.70 0.01 0.00 -1.07 0.00 0.00 68.15 68.66 1x5h h THR 75 CO 0.16 0.05 1.35 -1.58 -0.01 0.00 0.00 175.52 175.50 1x5h s GLN 76 N -5.27 3.63 -0.30 0.00 0.74 -1.05 -4.85 119.66 112.56 1x5h s GLN 76 Ca -0.07 2.27 0.10 0.00 0.05 0.00 0.00 55.36 57.72 1x5h s GLN 76 Cb 0.18 -4.26 0.63 0.00 1.10 0.00 0.00 33.01 30.66 1x5h s GLN 76 CO 0.71 -1.54 1.65 1.28 -0.55 0.00 0.00 175.29 176.84 1x5h n LEU 77 N 9.62 5.18 -3.64 3.68 4.77 -1.26 -4.71 117.00 130.64 1x5h n LEU 77 Ca 0.25 -3.38 -0.10 0.00 -0.03 0.00 0.00 56.01 52.75 1x5h n LEU 77 Cb 0.43 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1x5h n LEU 77 CO 0.67 0.93 0.38 -0.44 -1.33 0.00 0.00 177.39 177.60 1x5h s SER 78 N -1.67 -0.39 -0.24 -1.43 0.01 -1.26 -1.40 113.70 107.33 1x5h s SER 78 Ca 0.50 -0.31 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 1x5h s SER 78 Cb 0.42 0.63 0.08 0.00 0.21 0.00 0.00 66.02 67.36 1x5h s SER 78 CO 0.09 -1.10 0.80 -1.58 0.41 0.00 0.00 173.24 171.85 1x5h s GLN 79 N -3.83 0.78 -0.39 12.44 2.00 -0.77 -4.96 119.66 124.93 1x5h s GLN 79 Ca 0.06 0.78 -0.12 0.00 -2.00 0.00 0.00 55.36 54.08 1x5h s GLN 79 Cb -0.02 0.38 0.02 0.00 0.80 0.00 0.00 33.01 34.19 1x5h s GLN 79 CO -0.04 -0.12 0.24 -1.17 -0.50 0.00 0.00 175.29 173.69 1x5h s LEU 80 N 0.09 4.85 -0.68 3.68 2.96 -1.26 0.08 118.68 128.40 1x5h s LEU 80 Ca -0.01 -0.95 -0.21 0.00 -0.22 0.00 0.00 54.13 52.75 1x5h s LEU 80 Cb -0.04 -2.07 0.09 0.00 0.50 0.00 0.00 46.19 44.66 1x5h s LEU 80 CO 0.00 -0.40 0.92 -0.63 -1.32 0.00 0.00 176.35 174.92 1x5h s ILE 81 N 1.60 4.52 0.42 6.68 -1.09 -0.64 -4.91 121.20 127.79 1x5h s ILE 81 Ca 0.03 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1x5h s ILE 81 Cb -0.19 -4.64 -0.00 0.00 -1.58 0.00 0.00 42.46 36.04 1x5h s ILE 81 CO 0.08 -1.37 0.61 -1.61 -1.23 0.00 0.00 174.94 171.41 1x5h s GLU 82 N 3.47 3.01 0.00 2.79 2.02 -1.26 -0.87 118.70 127.85 1x5h s GLU 82 Ca 0.21 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1x5h s GLU 82 Cb -0.17 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1x5h s GLU 82 CO 0.06 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1x5h n GLY 83 N -1.94 0.76 3.68 -1.39 0.00 0.94 -4.93 105.19 102.29 1x5h n GLY 83 Ca 0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1x5h n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5h s LEU 84 N -0.66 2.73 0.19 0.99 1.43 0.93 -5.00 118.68 119.29 1x5h s LEU 84 Ca 0.00 -1.42 0.07 0.00 -1.03 0.00 0.00 54.13 51.75 1x5h s LEU 84 Cb 0.00 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1x5h s LEU 84 CO 0.00 -0.58 0.04 -1.81 0.23 0.00 0.00 176.35 174.23 1x5h s ASP 85 N -3.78 4.96 0.60 2.29 1.01 -1.26 -4.00 116.67 116.48 1x5h s ASP 85 Ca 0.27 -0.37 -0.13 0.00 0.71 0.00 0.00 52.55 53.04 1x5h s ASP 85 Cb 0.07 -1.11 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 1x5h s ASP 85 CO 0.14 0.06 1.02 0.00 0.21 0.00 0.00 175.17 176.61 1x5h s ARG 86 N -3.17 3.60 -1.30 8.23 1.70 -1.25 -4.12 118.95 122.64 1x5h s ARG 86 Ca 0.29 0.86 -0.08 0.00 -0.47 0.00 0.00 55.73 56.33 1x5h s ARG 86 Cb -0.09 -2.08 -0.00 0.00 -0.57 0.00 0.00 34.95 32.21 1x5h s ARG 86 CO 0.20 -0.56 0.57 0.41 -1.08 0.00 0.00 175.30 174.84 1x5h n GLY 87 N -2.24 -0.49 3.21 3.88 0.00 -1.26 -4.96 105.19 103.33 1x5h n GLY 87 Ca 0.06 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 1x5h n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 88 N -3.76 -0.08 0.25 2.61 2.01 -1.26 -5.00 115.64 110.41 1x5h s THR 88 Ca 0.17 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1x5h s THR 88 Cb -0.06 -0.55 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 1x5h s THR 88 CO 0.88 0.05 1.08 -0.70 -0.69 0.00 0.00 174.62 175.23 1x5h s GLU 89 N 1.47 4.66 0.03 4.92 2.12 -1.26 -3.54 118.70 127.11 1x5h s GLU 89 Ca -0.09 1.73 0.01 0.00 0.36 0.00 0.00 54.97 56.99 1x5h s GLU 89 Cb -0.09 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 1x5h s GLU 89 CO -0.12 0.22 -0.06 0.71 -0.54 0.00 0.00 175.26 175.47 1x5h s TYR 90 N -0.91 0.52 0.02 5.30 2.02 -0.78 -2.90 117.35 120.63 1x5h s TYR 90 Ca 0.45 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 1x5h s TYR 90 Cb -0.30 -0.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 1x5h s TYR 90 CO 0.38 -0.12 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.38 1x5h s ASN 91 N -1.50 4.62 0.03 2.29 -0.87 -0.03 -0.50 114.94 118.97 1x5h s ASN 91 Ca -0.12 -0.17 -0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1x5h s ASN 91 Cb -0.10 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.25 40.05 1x5h s ASN 91 CO -0.00 0.27 -0.04 -0.36 -2.57 0.00 0.00 177.10 174.40 1x5h s PHE 92 N -1.03 0.40 -0.24 2.20 0.40 -0.83 -1.65 117.98 117.22 1x5h s PHE 92 Ca 0.18 -0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 55.67 1x5h s PHE 92 Cb -0.11 -0.28 0.07 0.00 0.51 0.00 0.00 43.02 43.21 1x5h s PHE 92 CO 0.09 -0.24 0.59 -0.98 0.70 0.00 0.00 175.22 175.38 1x5h s ARG 93 N -2.32 0.59 0.04 0.44 1.70 -0.00 -2.75 118.95 116.65 1x5h s ARG 93 Ca -0.07 1.06 0.00 0.00 -0.47 0.00 0.00 55.73 56.26 1x5h s ARG 93 Cb -0.04 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 1x5h s ARG 93 CO -0.04 -0.15 0.13 0.08 -1.08 0.00 0.00 175.30 174.24 1x5h s VAL 94 N 1.54 4.96 -0.07 4.99 1.01 -1.26 -0.97 120.40 130.60 1x5h s VAL 94 Ca -0.10 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1x5h s VAL 94 Cb -0.06 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1x5h s VAL 94 CO -0.17 0.22 0.20 0.00 0.00 0.00 0.00 175.10 175.35 1x5h s ALA 95 N -1.36 -0.50 0.18 5.51 0.00 -1.17 -0.37 121.76 124.05 1x5h s ALA 95 Ca 0.29 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 1x5h s ALA 95 Cb -0.12 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.61 1x5h s ALA 95 CO 0.21 -0.10 0.56 0.00 0.00 0.00 0.00 175.76 176.43 1x5h s ALA 96 N 0.03 3.56 -0.03 0.00 0.00 -1.20 0.07 121.76 124.19 1x5h s ALA 96 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.84 1x5h s ALA 96 Cb -0.02 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1x5h s ALA 96 CO 0.00 0.47 -0.21 -0.51 0.00 0.00 0.00 175.76 175.51 1x5h s LEU 97 N -2.31 2.01 0.23 0.00 1.43 0.48 -0.36 118.68 120.17 1x5h s LEU 97 Ca 0.42 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1x5h s LEU 97 Cb -0.13 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1x5h s LEU 97 CO 0.20 0.23 0.12 0.42 0.23 0.00 0.00 176.35 177.54 1x5h s THR 98 N -0.29 0.28 0.57 5.49 -4.23 -1.24 -0.98 115.64 115.24 1x5h s THR 98 Ca 0.03 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.90 1x5h s THR 98 Cb -0.10 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.53 1x5h s THR 98 CO 0.01 0.00 2.09 -0.29 -0.54 0.00 0.00 174.62 175.88 1x5h h ILE 99 N 2.48 0.00 0.00 2.99 2.10 -1.95 0.25 117.51 123.39 1x5h h ILE 99 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1x5h h ILE 99 Cb 1.25 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1x5h h ILE 99 CO 0.57 0.00 0.00 0.78 -1.08 0.00 0.00 178.15 178.42 1x5h h ASN 100 N 0.00 0.00 0.00 2.19 2.35 -1.91 -3.49 115.58 114.72 1x5h h ASN 100 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x5h h ASN 100 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1x5h h ASN 100 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1x5h n GLY 101 N 0.35 1.00 3.22 2.83 0.00 0.89 -4.40 105.19 109.08 1x5h n GLY 101 Ca 0.03 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1x5h n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 102 N 0.00 1.32 0.45 2.61 2.01 -1.26 -3.62 115.64 117.15 1x5h s THR 102 Ca 0.00 -1.46 0.05 0.00 0.31 0.00 0.00 61.69 60.59 1x5h s THR 102 Cb 0.00 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.26 1x5h s THR 102 CO 0.00 -0.22 0.39 0.61 -0.69 0.00 0.00 174.62 174.71 1x5h n GLY 103 N 1.07 2.64 3.71 4.40 0.00 0.51 -4.33 105.19 113.19 1x5h n GLY 103 Ca -0.20 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.27 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -3.88 1.08 -0.09 1.61 0.04 -1.26 -4.64 135.00 127.86 1x5h s PRO 104 Ca 0.30 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1x5h s PRO 104 Cb -0.02 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1x5h s PRO 104 CO 0.19 -2.35 -0.12 0.00 0.04 0.00 0.00 177.00 174.76 1x5h s ALA 105 N -2.94 1.44 0.98 8.56 0.00 -1.26 -3.27 121.76 125.27 1x5h s ALA 105 Ca 0.64 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1x5h s ALA 105 Cb -0.18 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 1x5h s ALA 105 CO 0.57 -0.10 -0.23 0.25 0.00 0.00 0.00 175.76 176.25 1x5h n THR 106 N 4.26 0.00 -0.34 0.00 -2.24 0.50 -4.91 114.28 111.56 1x5h n THR 106 Ca -0.19 -0.33 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 1x5h n THR 106 Cb 0.51 -0.31 0.26 0.00 -2.10 0.00 0.00 70.33 68.68 1x5h n THR 106 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5h n ASP 107 N 1.06 -3.55 -4.47 3.42 2.03 -1.26 -4.61 116.55 109.18 1x5h n ASP 107 Ca 0.02 -0.65 -0.43 0.00 0.52 0.00 0.00 54.79 54.26 1x5h n ASP 107 Cb 0.56 -0.99 -0.04 0.00 -0.72 0.00 0.00 41.12 39.93 1x5h n ASP 107 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1x5h s TRP 108 N -2.15 2.66 -0.36 -0.67 0.23 -1.26 -4.61 118.94 112.79 1x5h s TRP 108 Ca 0.60 -0.57 -0.15 0.00 -2.03 0.00 0.00 56.10 53.95 1x5h s TRP 108 Cb -0.13 -4.34 -0.00 0.00 0.03 0.00 0.00 33.47 29.03 1x5h s TRP 108 CO 0.53 -1.69 0.37 -1.17 0.96 0.00 0.00 176.95 175.95 1x5h s LEU 109 N 4.15 4.56 0.35 2.99 2.96 -1.11 -4.93 118.68 127.65 1x5h s LEU 109 Ca 0.25 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1x5h s LEU 109 Cb -0.15 -2.33 -0.06 0.00 0.50 0.00 0.00 46.19 44.16 1x5h s LEU 109 CO 0.09 -0.39 0.67 -0.55 -1.32 0.00 0.00 176.35 174.85 1x5h s SER 110 N 1.74 6.50 -0.14 3.68 0.15 -1.26 -1.97 113.70 122.40 1x5h s SER 110 Ca 0.11 0.95 -0.07 0.00 0.70 0.00 0.00 55.95 57.64 1x5h s SER 110 Cb -0.17 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 1x5h s SER 110 CO 0.12 -0.30 0.33 0.00 1.20 0.00 0.00 173.24 174.59 1x5h s ALA 111 N -2.22 -0.81 -0.32 5.45 0.00 0.34 -4.96 121.76 119.24 1x5h s ALA 111 Ca 0.48 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 1x5h s ALA 111 Cb -0.10 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1x5h s ALA 111 CO 0.30 -0.23 0.29 -2.00 0.00 0.00 0.00 175.76 174.12 1x5h s GLU 112 N 1.33 3.70 1.13 0.00 2.12 -1.26 -1.86 118.70 123.86 1x5h s GLU 112 Ca -0.09 -0.38 -0.13 0.00 0.36 0.00 0.00 54.97 54.72 1x5h s GLU 112 Cb -0.09 -3.75 0.27 0.00 0.26 0.00 0.00 34.13 30.81 1x5h s GLU 112 CO -0.11 -0.39 1.04 0.95 -0.54 0.00 0.00 175.26 176.21 1x5h s THR 113 N 1.89 2.03 -0.21 -1.70 -4.23 -1.23 -4.94 115.64 107.25 1x5h s THR 113 Ca 0.10 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.34 1x5h s THR 113 Cb -0.17 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1x5h s THR 113 CO 0.11 -0.01 0.96 -0.36 -0.54 0.00 0.00 174.62 174.77 1x5h s PHE 114 N -2.54 3.36 0.36 3.99 0.08 -1.26 -4.21 117.98 117.75 1x5h s PHE 114 Ca 0.68 1.37 0.24 0.00 0.12 0.00 0.00 56.93 59.34 1x5h s PHE 114 Cb -0.24 -3.17 1.24 0.00 -0.57 0.00 0.00 43.02 40.27 1x5h s PHE 114 CO 0.63 -0.41 1.35 0.39 -0.10 0.00 0.00 175.22 177.09 1x5h n GLU 115 N 5.98 -0.04 -4.33 0.44 1.02 -1.26 -4.13 120.64 118.32 1x5h n GLU 115 Ca 0.09 1.13 -0.19 0.00 -0.02 0.00 0.00 57.16 58.17 1x5h n GLU 115 Cb 0.47 -2.14 -0.09 0.00 -0.02 0.00 0.00 31.44 29.66 1x5h n GLU 115 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x5h s SER 116 N -4.42 1.52 -0.83 1.62 0.01 -1.26 -4.47 113.70 105.87 1x5h s SER 116 Ca -0.07 -1.57 -0.18 0.00 1.31 0.00 0.00 55.95 55.44 1x5h s SER 116 Cb 0.28 0.40 0.14 0.00 0.21 0.00 0.00 66.02 67.05 1x5h s SER 116 CO 0.69 -0.90 0.96 -1.81 0.41 0.00 0.00 173.24 172.59 1x5h s ASP 117 N -3.37 6.55 -0.20 2.44 1.11 -1.26 -4.79 116.67 117.15 1x5h s ASP 117 Ca 0.36 -2.02 0.00 0.00 0.18 0.00 0.00 52.55 51.07 1x5h s ASP 117 Cb 0.05 -2.34 0.05 0.00 1.07 0.00 0.00 42.92 41.75 1x5h s ASP 117 CO 0.18 -0.98 -0.08 -0.22 1.18 0.00 0.00 175.17 175.25 1x5h s LEU 118 N 2.18 2.15 -0.54 1.23 0.20 -1.26 -5.07 118.68 117.58 1x5h s LEU 118 Ca 0.25 -0.90 -0.31 0.00 0.69 0.00 0.00 54.13 53.86 1x5h s LEU 118 Cb -0.10 -1.12 -0.12 0.00 -0.43 0.00 0.00 46.19 44.41 1x5h s LEU 118 CO -0.05 -0.18 2.38 -0.67 -0.29 0.00 0.00 176.35 177.54 1x5h n ASP 119 N 4.74 1.82 -2.12 3.68 2.03 -1.26 -4.80 116.55 120.64 1x5h n ASP 119 Ca -0.13 0.05 -0.26 0.00 0.52 0.00 0.00 54.79 54.97 1x5h n ASP 119 Cb 0.46 -1.30 0.02 0.00 -0.72 0.00 0.00 41.12 39.58 1x5h n ASP 119 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x5h n GLU 120 N 8.56 3.50 -2.38 -0.67 2.13 -1.26 -5.06 120.64 125.46 1x5h n GLU 120 Ca 0.45 -4.13 -0.33 0.00 0.66 0.00 0.00 57.16 53.80 1x5h n GLU 120 Cb 0.30 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 29.71 1x5h n GLU 120 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x5h s THR 121 N -4.75 3.84 0.35 6.31 -4.23 -1.26 -5.07 115.64 110.83 1x5h s THR 121 Ca 0.52 1.04 0.08 0.00 -1.18 0.00 0.00 61.69 62.14 1x5h s THR 121 Cb 0.42 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1x5h s THR 121 CO -0.00 -0.35 0.26 0.00 -0.54 0.00 0.00 174.62 173.99 1x5h s ARG 122 N -3.55 2.58 -0.23 3.99 1.70 -1.26 -5.10 118.95 117.09 1x5h s ARG 122 Ca 0.66 -1.42 -0.19 0.00 -0.47 0.00 0.00 55.73 54.31 1x5h s ARG 122 Cb -0.16 -2.36 -0.03 0.00 -0.57 0.00 0.00 34.95 31.83 1x5h s ARG 122 CO 0.26 0.04 0.55 0.54 -1.08 0.00 0.00 175.30 175.61 1x5h s VAL 123 N -2.37 5.06 0.30 4.99 0.11 -1.26 -5.05 120.40 122.18 1x5h s VAL 123 Ca 0.41 0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 60.16 1x5h s VAL 123 Cb -0.04 -3.86 -0.10 0.00 -1.53 0.00 0.00 36.38 30.85 1x5h s VAL 123 CO 0.26 0.12 1.23 -2.16 -3.33 0.00 0.00 175.10 171.22 1x5h s PRO 124 N 2.01 4.46 -0.12 1.54 0.04 -1.26 -5.04 135.00 136.63 1x5h s PRO 124 Ca 0.24 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 1x5h s PRO 124 Cb -0.16 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1x5h s PRO 124 CO 0.09 -0.05 -0.06 -1.83 0.04 0.00 0.00 177.00 175.19 1x5h s GLU 125 N -1.48 3.35 -0.14 4.56 1.03 -1.26 -5.11 118.70 119.65 1x5h s GLU 125 Ca 0.48 -0.55 -0.11 0.00 0.03 0.00 0.00 54.97 54.82 1x5h s GLU 125 Cb -0.37 -2.77 -0.05 0.00 -0.80 0.00 0.00 34.13 30.14 1x5h s GLU 125 CO 0.47 0.37 0.23 0.14 -1.33 0.00 0.00 175.26 175.14 1x5h s VAL 126 N -0.00 5.35 -0.28 1.83 -7.23 -1.26 -5.07 120.40 113.73 1x5h s VAL 126 Ca -0.00 0.41 -0.15 0.00 -1.81 0.00 0.00 61.98 60.42 1x5h s VAL 126 Cb -0.13 -3.54 0.10 0.00 0.56 0.00 0.00 36.38 33.36 1x5h s VAL 126 CO 0.03 0.48 0.75 -0.44 -0.31 0.00 0.00 175.10 175.61 1x5h s SER 127 N -0.07 -0.87 0.00 4.85 0.01 -1.26 -5.16 113.70 111.20 1x5h s SER 127 Ca 0.15 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1x5h s SER 127 Cb -0.13 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.57 1x5h s SER 127 CO 0.03 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1x5h n GLY 128 N 4.35 3.59 1.63 3.44 0.00 -1.26 -5.12 105.19 111.82 1x5h n GLY 128 Ca -0.19 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1x5h n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5h n PRO 129 N -1.17 -2.02 -3.93 1.61 -0.04 -1.26 -5.10 135.00 123.09 1x5h n PRO 129 Ca 0.00 -0.82 -0.08 0.00 -0.04 0.00 0.00 63.50 62.56 1x5h n PRO 129 Cb 0.00 -0.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.61 1x5h n PRO 129 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5h s SER 130 N -2.88 0.22 0.26 3.54 0.15 -1.26 -5.18 113.70 108.56 1x5h s SER 130 Ca 0.33 -0.71 -0.21 0.00 0.70 0.00 0.00 55.95 56.06 1x5h s SER 130 Cb -0.03 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1x5h s SER 130 CO 0.25 -0.65 0.82 -0.94 1.20 0.00 0.00 173.24 173.93 1x5h s SER 131 N -2.72 -0.16 0.00 5.45 1.04 -1.26 -5.35 113.70 110.70 1x5h s SER 131 Ca 0.03 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1x5h s SER 131 Cb 0.04 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1x5h s SER 131 CO -0.09 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.46