#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 0.27 -0.08 1.61 0.15 -1.26 -5.08 113.70 109.32 1x5h s SER 2 Ca 0.00 -0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.52 1x5h s SER 2 Cb 0.00 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1x5h s SER 2 CO 0.00 -0.03 -0.00 0.28 1.20 0.00 0.00 173.24 174.69 1x5h h SER 3 N 5.81 0.00 -4.06 5.45 0.02 -2.05 -3.51 113.55 115.22 1x5h h SER 3 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1x5h h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1x5h h SER 3 CO 0.49 0.38 -0.42 0.61 -1.14 0.00 0.00 176.83 176.75 1x5h n GLY 4 N 1.83 -4.13 3.15 -3.77 0.00 -1.26 -5.09 105.19 95.92 1x5h n GLY 4 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.28 0.13 1.36 1.61 1.04 -1.26 -5.17 113.70 110.13 1x5h s SER 5 Ca 0.00 -0.50 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1x5h s SER 5 Cb 0.00 0.26 0.34 0.00 0.10 0.00 0.00 66.02 66.73 1x5h s SER 5 CO 0.00 -0.55 0.99 -0.55 0.98 0.00 0.00 173.24 174.11 1x5h s SER 6 N -2.22 -0.49 0.33 7.02 0.15 -1.26 -5.05 113.70 112.19 1x5h s SER 6 Ca -0.03 0.75 0.07 0.00 0.70 0.00 0.00 55.95 57.43 1x5h s SER 6 Cb -0.00 -1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 63.25 1x5h s SER 6 CO -0.05 -5.00 0.35 -0.83 1.20 0.00 0.00 173.24 168.91 1x5h s GLY 7 N -3.44 1.71 1.12 9.45 0.00 -1.26 -5.10 107.32 109.80 1x5h s GLY 7 Ca 0.70 -1.58 -0.16 0.00 0.00 0.00 0.00 44.72 43.67 1x5h s GLY 7 CO 0.57 -1.51 0.34 1.22 0.00 0.00 0.00 173.10 173.73 1x5h n ASP 8 N -1.46 -2.12 -4.53 1.64 8.00 -1.26 -5.02 116.55 111.80 1x5h n ASP 8 Ca -0.01 -0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 1x5h n ASP 8 Cb 0.59 -1.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.51 1x5h n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5h s VAL 9 N -2.30 3.17 0.68 2.53 1.01 -1.26 -5.10 120.40 119.12 1x5h s VAL 9 Ca 0.60 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1x5h s VAL 9 Cb -0.17 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.84 1x5h s VAL 9 CO 0.66 0.20 0.97 0.00 0.00 0.00 0.00 175.10 176.93 1x5h s ALA 10 N -1.11 3.29 -0.19 5.51 0.00 -1.26 -5.08 121.76 122.93 1x5h s ALA 10 Ca 0.19 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 1x5h s ALA 10 Cb -0.11 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.57 1x5h s ALA 10 CO 0.10 -1.21 0.59 0.54 0.00 0.00 0.00 175.76 175.78 1x5h s VAL 11 N -3.16 0.00 -0.47 0.00 0.11 -1.26 -5.12 120.40 110.50 1x5h s VAL 11 Ca 0.60 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 1x5h s VAL 11 Cb -0.11 -0.84 0.14 0.00 -1.53 0.00 0.00 36.38 34.04 1x5h s VAL 11 CO 0.44 -0.02 0.26 -0.13 -3.33 0.00 0.00 175.10 172.32 1x5h s ARG 12 N 0.04 1.54 0.01 1.54 0.52 -1.26 -5.09 118.95 116.25 1x5h s ARG 12 Ca -0.02 -2.25 0.01 0.00 -0.52 0.00 0.00 55.73 52.95 1x5h s ARG 12 Cb -0.04 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 1x5h s ARG 12 CO 0.02 -1.16 -0.04 0.95 0.02 0.00 0.00 175.30 175.10 1x5h s THR 13 N 0.07 0.27 -0.33 0.02 -4.23 -1.26 -5.13 115.64 105.06 1x5h s THR 13 Ca 0.18 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 1x5h s THR 13 Cb -0.23 -0.29 0.06 0.00 1.34 0.00 0.00 72.50 73.39 1x5h s THR 13 CO -0.01 -0.11 0.05 -0.76 -0.54 0.00 0.00 174.62 173.25 1x5h s LEU 14 N -0.57 4.24 -0.09 4.79 1.43 -1.26 -5.00 118.68 122.22 1x5h s LEU 14 Ca -0.04 -1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 51.30 1x5h s LEU 14 Cb -0.04 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.55 1x5h s LEU 14 CO -0.00 -0.33 0.97 -0.44 0.23 0.00 0.00 176.35 176.78 1x5h s SER 15 N 1.37 -0.34 0.07 2.29 0.01 -1.26 -5.06 113.70 110.78 1x5h s SER 15 Ca -0.02 0.16 -0.14 0.00 1.31 0.00 0.00 55.95 57.27 1x5h s SER 15 Cb -0.20 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1x5h s SER 15 CO -0.02 -0.46 1.12 0.47 0.41 0.00 0.00 173.24 174.76 1x5h n ASP 16 N 0.16 -0.47 -3.28 2.44 8.00 -1.26 -4.56 116.55 117.58 1x5h n ASP 16 Ca -0.08 1.22 -0.32 0.00 0.71 0.00 0.00 54.79 56.32 1x5h n ASP 16 Cb 0.60 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1x5h n ASP 16 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x5h n VAL 17 N -3.99 0.61 -1.42 2.53 0.24 -1.26 -4.88 118.33 110.17 1x5h n VAL 17 Ca 0.01 -0.38 -0.32 0.00 -2.04 0.00 0.00 64.34 61.61 1x5h n VAL 17 Cb 0.11 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.76 2.42 -0.12 7.34 0.04 -1.26 -4.99 135.00 137.68 1x5h s PRO 18 Ca 0.46 1.24 0.14 0.00 0.04 0.00 0.00 61.00 62.88 1x5h s PRO 18 Cb -0.51 -1.91 0.31 0.00 0.04 0.00 0.00 34.50 32.42 1x5h s PRO 18 CO 0.47 -1.52 1.15 0.43 0.04 0.00 0.00 177.00 177.57 1x5h n SER 19 N -3.17 1.61 -4.30 6.66 7.64 -1.26 -4.19 113.62 116.60 1x5h n SER 19 Ca 0.09 -3.06 -0.33 0.00 1.01 0.00 0.00 58.87 56.58 1x5h n SER 19 Cb 0.53 -0.41 -0.15 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.19 2.55 0.15 -0.43 0.00 -1.26 -4.95 121.76 115.63 1x5h s ALA 20 Ca 0.30 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1x5h s ALA 20 Cb 0.28 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1x5h s ALA 20 CO -0.03 0.03 0.18 0.00 0.00 0.00 0.00 175.76 175.94 1x5h s ALA 21 N 0.71 3.70 0.44 0.00 0.00 -1.26 -4.38 121.76 120.97 1x5h s ALA 21 Ca -0.06 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 1x5h s ALA 21 Cb -0.15 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.38 1x5h s ALA 21 CO 0.02 0.54 1.17 -1.25 0.00 0.00 0.00 175.76 176.24 1x5h s PRO 22 N -3.08 3.85 0.35 0.00 0.04 -1.26 -4.28 135.00 130.63 1x5h s PRO 22 Ca 0.32 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.19 1x5h s PRO 22 Cb -0.11 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.96 1x5h s PRO 22 CO 0.25 -0.48 0.21 1.04 0.04 0.00 0.00 177.00 178.05 1x5h n GLN 23 N -0.30 1.01 -3.60 4.56 6.02 -0.41 -4.71 117.38 119.94 1x5h n GLN 23 Ca 0.06 -2.29 -0.27 0.00 -0.01 0.00 0.00 57.00 54.49 1x5h n GLN 23 Cb 0.47 0.33 0.02 0.00 1.02 0.00 0.00 30.24 32.09 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 -1.74 -4.77 -4.78 1.08 3.02 -1.26 0.08 115.26 106.89 1x5h n ASN 24 Ca -0.04 -0.58 -0.34 0.00 -0.03 0.00 0.00 54.58 53.59 1x5h n ASN 24 Cb 0.41 -3.85 0.01 0.00 -0.61 0.00 0.00 39.78 35.74 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 -6.96 3.65 -0.02 3.41 2.96 -1.25 -4.26 118.68 116.21 1x5h s LEU 25 Ca 0.53 2.08 -0.30 0.00 -0.22 0.00 0.00 54.13 56.23 1x5h s LEU 25 Cb -0.26 -4.57 0.11 0.00 0.50 0.00 0.00 46.19 41.96 1x5h s LEU 25 CO 0.65 -1.28 1.01 -0.44 -1.32 0.00 0.00 176.35 174.98 1x5h s SER 26 N -2.07 -0.26 -0.27 3.68 0.01 0.13 -4.95 113.70 109.98 1x5h s SER 26 Ca 0.70 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.87 1x5h s SER 26 Cb -0.22 0.33 0.09 0.00 0.21 0.00 0.00 66.02 66.43 1x5h s SER 26 CO 0.31 -0.55 0.07 -0.76 0.41 0.00 0.00 173.24 172.72 1x5h s LEU 27 N -2.53 1.81 -1.01 2.44 1.43 -1.26 -0.35 118.68 119.22 1x5h s LEU 27 Ca 0.08 -1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 51.66 1x5h s LEU 27 Cb -0.01 -0.76 0.13 0.00 0.03 0.00 0.00 46.19 45.58 1x5h s LEU 27 CO -0.06 -0.37 1.24 -0.70 0.23 0.00 0.00 176.35 176.69 1x5h s GLU 28 N 1.71 3.71 -0.77 1.70 2.56 0.31 -4.88 118.70 123.05 1x5h s GLU 28 Ca 0.06 -1.88 -0.24 0.00 0.00 0.00 0.00 54.97 52.91 1x5h s GLU 28 Cb -0.17 -5.01 -0.16 0.00 2.00 0.00 0.00 34.13 30.79 1x5h s GLU 28 CO -0.20 -1.83 2.40 0.28 -0.56 0.00 0.00 175.26 175.35 1x5h n VAL 29 N 5.47 -0.02 0.06 3.70 0.31 -1.26 -1.85 118.33 124.74 1x5h n VAL 29 Ca 0.28 -0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 1x5h n VAL 29 Cb 0.48 -1.80 -0.08 0.00 -0.91 0.00 0.00 33.84 31.53 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 14.00 -0.13 0.00 5.55 2.47 -1.91 -3.47 114.38 130.89 1x5h h ARG 30 Ca -0.05 0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.34 1x5h h ARG 30 Cb 1.10 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 29.37 1x5h h ARG 30 CO 1.15 0.13 -0.28 0.09 0.56 0.00 0.00 179.97 181.62 1x5h n ASN 31 N -5.03 1.10 0.20 7.04 3.02 -1.16 -5.00 115.26 115.42 1x5h n ASN 31 Ca -0.08 -2.33 0.10 0.00 -0.03 0.00 0.00 54.58 52.24 1x5h n ASN 31 Cb 0.18 0.64 0.16 0.00 -0.61 0.00 0.00 39.78 40.14 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 1.00 0.00 -0.01 6.41 4.64 -1.84 -3.24 113.55 120.51 1x5h h SER 32 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1x5h h SER 32 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1x5h h SER 32 CO 0.31 0.11 -0.07 2.29 -0.87 0.00 0.00 176.83 178.60 1x5h n LYS 33 N -3.13 1.07 -4.32 4.77 2.85 -1.25 -3.36 118.16 114.80 1x5h n LYS 33 Ca 0.03 -0.78 -0.19 0.00 -1.05 0.00 0.00 58.31 56.32 1x5h n LYS 33 Cb 0.57 -1.09 -0.11 0.00 -0.65 0.00 0.00 35.03 33.75 1x5h n LYS 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5h s SER 34 N -0.90 2.47 -0.20 -5.58 0.15 -1.22 0.24 113.70 108.66 1x5h s SER 34 Ca 0.08 -0.92 -0.07 0.00 0.70 0.00 0.00 55.95 55.74 1x5h s SER 34 Cb 0.07 -0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.34 1x5h s SER 34 CO 0.14 -0.12 0.42 -0.63 1.20 0.00 0.00 173.24 174.26 1x5h s ILE 35 N -2.48 -0.61 -0.04 6.45 1.01 -0.07 -3.00 121.20 122.46 1x5h s ILE 35 Ca 0.17 0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 1x5h s ILE 35 Cb -0.03 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1x5h s ILE 35 CO 0.06 0.07 0.59 -0.32 0.00 0.00 0.00 174.94 175.33 1x5h s MET 36 N 2.53 4.34 -0.14 2.79 -2.45 -0.77 -0.54 119.30 125.06 1x5h s MET 36 Ca -0.02 0.70 -0.05 0.00 -1.25 0.00 0.00 55.69 55.07 1x5h s MET 36 Cb -0.12 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 1x5h s MET 36 CO -0.13 0.28 0.02 0.42 1.05 0.00 0.00 175.02 176.66 1x5h s ILE 37 N 0.14 4.47 -0.19 10.11 1.01 0.23 0.11 121.20 137.08 1x5h s ILE 37 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1x5h s ILE 37 Cb -0.17 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.39 1x5h s ILE 37 CO 0.16 0.53 -0.09 -1.00 0.00 0.00 0.00 174.94 174.54 1x5h s HIS 38 N -0.17 2.23 0.23 3.97 3.76 0.52 -2.64 115.29 123.19 1x5h s HIS 38 Ca 0.06 -1.46 0.03 0.00 -0.15 0.00 0.00 55.06 53.54 1x5h s HIS 38 Cb -0.12 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.96 1x5h s HIS 38 CO 0.02 -0.71 0.00 1.67 -0.85 0.00 0.00 174.74 174.87 1x5h s TRP 39 N 1.46 1.53 0.12 1.40 -2.14 -1.10 0.19 118.94 120.39 1x5h s TRP 39 Ca -0.01 -0.95 0.07 0.00 2.66 0.00 0.00 56.10 57.88 1x5h s TRP 39 Cb -0.16 -0.88 -0.04 0.00 -3.10 0.00 0.00 33.47 29.29 1x5h s TRP 39 CO -0.08 -0.07 -0.18 -0.65 -2.66 0.00 0.00 176.95 173.30 1x5h s GLN 40 N -3.88 1.10 0.39 3.25 -1.52 0.11 -4.81 119.66 114.30 1x5h s GLN 40 Ca 0.28 -1.20 -0.26 0.00 -1.95 0.00 0.00 55.36 52.24 1x5h s GLN 40 Cb 0.06 -1.22 -0.09 0.00 -0.22 0.00 0.00 33.01 31.54 1x5h s GLN 40 CO 0.08 0.27 1.19 -1.25 -0.25 0.00 0.00 175.29 175.34 1x5h s PRO 41 N -2.20 4.08 1.04 2.91 0.04 -1.26 -1.29 135.00 138.32 1x5h s PRO 41 Ca 0.08 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1x5h s PRO 41 Cb -0.08 -2.73 0.21 0.00 0.04 0.00 0.00 34.50 31.93 1x5h s PRO 41 CO 0.04 -0.31 1.09 -1.25 0.04 0.00 0.00 177.00 176.62 1x5h s PRO 42 N -2.22 0.09 0.71 0.56 0.04 -1.26 -4.58 135.00 128.33 1x5h s PRO 42 Ca 0.56 0.41 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1x5h s PRO 42 Cb -0.32 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1x5h s PRO 42 CO 0.41 -2.93 1.23 0.00 0.04 0.00 0.00 177.00 175.74 1x5h n ALA 43 N -4.30 0.61 -0.08 8.56 0.00 -1.26 -4.84 120.51 119.20 1x5h n ALA 43 Ca 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1x5h n ALA 43 Cb 0.58 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.01 0.82 -0.47 0.00 0.13 -1.94 -1.69 132.00 128.84 1x5h h PRO 44 Ca -0.49 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1x5h h PRO 44 Cb 1.33 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1x5h h PRO 44 CO 0.50 1.06 0.28 0.00 -0.23 0.00 0.00 178.00 179.61 1x5h h ALA 45 N 0.88 1.62 0.08 -0.56 0.00 -2.04 -2.98 119.26 116.26 1x5h h ALA 45 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1x5h h ALA 45 Cb 0.96 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1x5h h ALA 45 CO 0.09 0.34 -0.50 1.79 0.00 0.00 0.00 179.25 180.97 1x5h h THR 46 N 0.64 1.60 -1.55 0.00 1.35 -1.92 -3.47 112.91 109.56 1x5h h THR 46 Ca 0.17 -2.44 -0.58 0.00 -0.55 0.00 0.00 66.41 63.01 1x5h h THR 46 Cb -0.02 3.24 0.15 0.00 -1.73 0.00 0.00 68.15 69.78 1x5h h THR 46 CO -0.03 0.66 -0.88 0.00 -0.25 0.00 0.00 175.52 175.02 1x5h n GLN 47 N -4.33 0.00 -1.78 4.72 6.02 -0.64 -4.70 117.38 116.66 1x5h n GLN 47 Ca -0.13 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.69 1x5h n GLN 47 Cb 0.67 -0.93 0.06 0.00 1.02 0.00 0.00 30.24 31.07 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 2.17 4.08 0.00 1.08 3.02 -1.26 -4.99 115.26 119.35 1x5h n ASN 48 Ca 0.10 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 1x5h n ASN 48 Cb 0.37 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.77 0.91 3.75 7.41 0.00 -1.26 -4.87 105.19 110.36 1x5h n GLY 49 Ca 0.37 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.00 4.23 -0.09 1.61 -2.07 -1.26 -5.05 119.66 115.02 1x5h s GLN 50 Ca 0.00 0.31 -0.30 0.00 -1.82 0.00 0.00 55.36 53.56 1x5h s GLN 50 Cb 0.00 -3.39 -0.02 0.00 -1.09 0.00 0.00 33.01 28.50 1x5h s GLN 50 CO 0.00 0.29 1.20 0.42 -1.32 0.00 0.00 175.29 175.88 1x5h s ILE 51 N 0.25 4.30 -0.20 3.63 1.01 -1.26 -4.44 121.20 124.49 1x5h s ILE 51 Ca 0.22 1.61 -0.08 0.00 0.00 0.00 0.00 60.65 62.40 1x5h s ILE 51 Cb -0.15 -4.03 -0.20 0.00 0.01 0.00 0.00 42.46 38.09 1x5h s ILE 51 CO 0.09 -0.05 0.06 0.35 0.00 0.00 0.00 174.94 175.39 1x5h n THR 52 N 4.85 1.62 -3.82 2.92 -2.24 -0.66 -4.63 114.28 112.32 1x5h n THR 52 Ca 0.12 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1x5h n THR 52 Cb 0.46 -1.73 0.02 0.00 -2.10 0.00 0.00 70.33 66.98 1x5h n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5h n GLY 53 N 1.85 1.22 2.90 3.38 0.00 -1.24 -0.31 105.19 112.99 1x5h n GLY 53 Ca -0.39 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 1x5h n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5h s TYR 54 N -2.50 1.12 -0.59 1.61 2.02 -1.24 0.25 117.35 118.03 1x5h s TYR 54 Ca 0.18 -0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 56.21 1x5h s TYR 54 Cb -0.04 -0.97 0.06 0.00 -0.40 0.00 0.00 41.96 40.61 1x5h s TYR 54 CO 0.13 -0.34 0.91 0.21 -1.57 0.00 0.00 175.55 174.88 1x5h s LYS 55 N 1.35 3.21 -0.35 -0.62 2.20 0.26 -3.18 119.74 122.60 1x5h s LYS 55 Ca -0.03 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 1x5h s LYS 55 Cb -0.14 -4.14 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 1x5h s LYS 55 CO -0.03 -1.59 0.21 0.42 -0.36 0.00 0.00 175.35 173.99 1x5h s ILE 56 N 3.80 4.77 0.21 5.43 1.01 -0.72 -1.97 121.20 133.73 1x5h s ILE 56 Ca 0.25 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1x5h s ILE 56 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1x5h s ILE 56 CO 0.14 -0.11 -0.07 -0.13 0.00 0.00 0.00 174.94 174.77 1x5h s ARG 57 N 1.61 2.12 -0.15 2.79 0.52 -0.83 -1.82 118.95 123.20 1x5h s ARG 57 Ca 0.04 -1.32 -0.24 0.00 -0.52 0.00 0.00 55.73 53.69 1x5h s ARG 57 Cb -0.18 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.20 1x5h s ARG 57 CO 0.07 0.41 0.61 1.52 0.02 0.00 0.00 175.30 177.93 1x5h s TYR 58 N -1.91 -0.62 0.24 -0.53 1.13 -1.18 -1.37 117.35 113.12 1x5h s TYR 58 Ca 0.27 1.32 0.02 0.00 -1.41 0.00 0.00 57.07 57.28 1x5h s TYR 58 Cb -0.08 0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 1x5h s TYR 58 CO 0.17 -0.43 0.04 -0.98 -2.51 0.00 0.00 175.55 171.84 1x5h s ARG 59 N -0.38 1.35 -0.12 -3.49 1.70 -1.01 -2.36 118.95 114.64 1x5h s ARG 59 Ca -0.05 -1.70 -0.24 0.00 -0.47 0.00 0.00 55.73 53.26 1x5h s ARG 59 Cb -0.03 -0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 33.89 1x5h s ARG 59 CO 0.04 -0.19 0.77 0.15 -1.08 0.00 0.00 175.30 174.99 1x5h s LYS 60 N -3.94 4.37 0.45 3.89 1.02 -1.02 -2.31 119.74 122.20 1x5h s LYS 60 Ca 0.32 0.95 0.30 0.00 0.02 0.00 0.00 55.97 57.56 1x5h s LYS 60 Cb 0.07 -3.51 1.39 0.00 -0.52 0.00 0.00 37.83 35.26 1x5h s LYS 60 CO 0.10 -0.14 1.67 0.00 -0.92 0.00 0.00 175.35 176.07 1x5h h ALA 61 N 7.07 2.76 0.10 5.17 0.00 -1.93 0.14 119.26 132.57 1x5h h ALA 61 Ca -0.35 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1x5h h ALA 61 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x5h h ALA 61 CO 0.79 -1.30 -1.08 0.66 0.00 0.00 0.00 179.25 178.32 1x5h h SER 62 N 0.14 0.33 -3.93 0.00 4.64 -1.91 -3.42 113.55 109.40 1x5h h SER 62 Ca 0.75 -0.87 -0.71 0.00 -0.47 0.00 0.00 61.79 60.49 1x5h h SER 62 Cb 2.40 -0.11 -0.34 0.00 -0.31 0.00 0.00 62.40 64.04 1x5h h SER 62 CO -0.31 1.48 -0.34 -0.60 -0.87 0.00 0.00 176.83 176.19 1x5h s ARG 63 N -2.43 2.60 -0.04 4.77 6.06 0.47 -4.93 118.95 125.46 1x5h s ARG 63 Ca -0.19 -2.36 -0.26 0.00 -2.50 0.00 0.00 55.73 50.43 1x5h s ARG 63 Cb 0.03 -3.81 -0.21 0.00 0.06 0.00 0.00 34.95 31.02 1x5h s ARG 63 CO 0.76 -1.18 1.15 0.87 -2.50 0.00 0.00 175.30 174.41 1x5h h LYS 64 N 7.39 -0.03 -1.67 5.12 1.79 -1.77 -2.69 116.57 124.71 1x5h h LYS 64 Ca -0.04 0.00 0.49 0.00 -2.18 0.00 0.00 60.65 58.93 1x5h h LYS 64 Cb 0.99 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.56 1x5h h LYS 64 CO 0.73 0.53 1.18 1.03 -1.08 0.00 0.00 179.45 181.84 1x5h h SER 65 N -0.61 0.05 -3.03 0.86 0.87 -1.91 -3.32 113.55 106.46 1x5h h SER 65 Ca -0.00 0.03 -0.58 0.00 -1.23 0.00 0.00 61.79 60.00 1x5h h SER 65 Cb 0.57 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.46 1x5h h SER 65 CO 0.00 -0.03 0.79 -0.62 -0.53 0.00 0.00 176.83 176.44 1x5h s ASP 66 N -4.31 6.34 0.04 6.23 2.15 -1.19 -5.00 116.67 120.93 1x5h s ASP 66 Ca -0.06 -0.25 0.05 0.00 0.43 0.00 0.00 52.55 52.73 1x5h s ASP 66 Cb 0.27 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.37 1x5h s ASP 66 CO 0.86 -1.43 -0.16 -0.69 -0.17 0.00 0.00 175.17 173.59 1x5h s VAL 67 N 4.59 1.25 -0.08 1.11 1.01 -1.25 -3.73 120.40 123.30 1x5h s VAL 67 Ca 0.35 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1x5h s VAL 67 Cb -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 1x5h s VAL 67 CO 0.20 0.06 -0.23 -0.89 0.00 0.00 0.00 175.10 174.24 1x5h s THR 68 N -0.83 1.98 -0.08 3.92 2.01 -1.00 -4.99 115.64 116.67 1x5h s THR 68 Ca 0.03 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 1x5h s THR 68 Cb -0.08 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1x5h s THR 68 CO 0.01 0.55 0.31 -0.70 -0.69 0.00 0.00 174.62 174.10 1x5h s GLU 69 N 0.15 3.90 -0.08 4.92 2.12 -1.26 -3.08 118.70 125.36 1x5h s GLU 69 Ca -0.12 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.41 1x5h s GLU 69 Cb -0.16 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1x5h s GLU 69 CO 0.06 0.58 -0.08 0.99 -0.54 0.00 0.00 175.26 176.27 1x5h s THR 70 N -0.61 0.93 -0.18 -1.70 2.01 -0.76 -5.02 115.64 110.32 1x5h s THR 70 Ca 0.20 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1x5h s THR 70 Cb -0.14 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1x5h s THR 70 CO 0.08 0.33 0.05 -0.22 -0.69 0.00 0.00 174.62 174.17 1x5h s LEU 71 N 1.23 3.73 0.48 4.42 1.98 -1.26 -1.76 118.68 127.50 1x5h s LEU 71 Ca -0.05 0.05 0.02 0.00 -2.89 0.00 0.00 54.13 51.27 1x5h s LEU 71 Cb -0.14 -1.94 -0.01 0.00 0.66 0.00 0.00 46.19 44.76 1x5h s LEU 71 CO -0.02 0.18 0.07 0.68 -1.89 0.00 0.00 176.35 175.36 1x5h s VAL 72 N 0.35 0.81 0.47 1.68 -7.23 -1.19 -5.01 120.40 110.28 1x5h s VAL 72 Ca 0.02 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 1x5h s VAL 72 Cb -0.13 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1x5h s VAL 72 CO 0.00 0.00 0.82 -0.55 -0.31 0.00 0.00 175.10 175.07 1x5h s SER 73 N -3.77 6.40 0.06 4.85 0.15 -1.26 -3.67 113.70 116.45 1x5h s SER 73 Ca 0.12 1.12 -0.35 0.00 0.70 0.00 0.00 55.95 57.55 1x5h s SER 73 Cb 0.01 -2.33 -0.19 0.00 -1.71 0.00 0.00 66.02 61.80 1x5h s SER 73 CO 0.08 -0.53 1.53 1.23 1.20 0.00 0.00 173.24 176.74 1x5h h GLY 74 N 0.68 -1.18 2.00 9.45 0.00 -0.92 -2.39 103.07 110.70 1x5h h GLY 74 Ca -0.47 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1x5h h GLY 74 CO 0.63 -0.43 0.00 -0.37 0.00 0.00 0.00 176.54 176.37 1x5h n THR 75 N -5.56 1.09 -2.52 4.70 5.66 -1.26 -4.53 114.28 111.86 1x5h n THR 75 Ca -0.15 0.62 -0.43 0.00 -3.05 0.00 0.00 64.05 61.04 1x5h n THR 75 Cb 0.45 -1.60 -0.02 0.00 -1.55 0.00 0.00 70.33 67.61 1x5h n THR 75 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1x5h s GLN 76 N -3.45 3.88 -0.07 1.09 0.74 -0.90 -4.87 119.66 116.08 1x5h s GLN 76 Ca -0.01 1.00 0.17 0.00 0.05 0.00 0.00 55.36 56.56 1x5h s GLN 76 Cb 0.06 -3.86 0.56 0.00 1.10 0.00 0.00 33.01 30.87 1x5h s GLN 76 CO 0.21 -1.17 1.48 1.28 -0.55 0.00 0.00 175.29 176.54 1x5h n LEU 77 N 7.59 3.96 -4.03 3.68 4.77 -1.26 -4.71 117.00 126.99 1x5h n LEU 77 Ca 0.13 -2.30 -0.08 0.00 -0.03 0.00 0.00 56.01 53.73 1x5h n LEU 77 Cb 0.47 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1x5h n LEU 77 CO 0.65 0.81 -0.32 -0.94 -1.33 0.00 0.00 177.39 176.25 1x5h s SER 78 N -1.09 0.38 -0.28 -1.43 1.04 -1.26 -2.72 113.70 108.34 1x5h s SER 78 Ca 0.41 -0.83 -0.16 0.00 0.48 0.00 0.00 55.95 55.86 1x5h s SER 78 Cb 0.26 0.20 0.11 0.00 0.10 0.00 0.00 66.02 66.68 1x5h s SER 78 CO 0.22 -0.55 0.79 -1.58 0.98 0.00 0.00 173.24 173.10 1x5h s GLN 79 N -3.34 0.58 -0.30 4.02 2.00 -1.08 -4.97 119.66 116.56 1x5h s GLN 79 Ca 0.02 1.04 -0.13 0.00 -2.00 0.00 0.00 55.36 54.29 1x5h s GLN 79 Cb 0.04 0.17 -0.03 0.00 0.80 0.00 0.00 33.01 33.99 1x5h s GLN 79 CO -0.08 -0.13 0.28 -1.17 -0.50 0.00 0.00 175.29 173.70 1x5h s LEU 80 N 1.64 4.21 -0.48 3.68 2.96 -1.26 -0.60 118.68 128.83 1x5h s LEU 80 Ca -0.09 -0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1x5h s LEU 80 Cb -0.05 -2.25 0.08 0.00 0.50 0.00 0.00 46.19 44.47 1x5h s LEU 80 CO -0.18 -0.18 0.42 -0.63 -1.32 0.00 0.00 176.35 174.45 1x5h s ILE 81 N 1.89 5.22 0.40 6.68 -1.09 0.29 -4.90 121.20 129.69 1x5h s ILE 81 Ca 0.10 -1.06 0.07 0.00 -2.23 0.00 0.00 60.65 57.52 1x5h s ILE 81 Cb -0.16 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1x5h s ILE 81 CO 0.11 -0.61 0.55 -1.61 -1.23 0.00 0.00 174.94 172.15 1x5h s GLU 82 N 1.69 2.92 0.00 2.79 2.02 -1.26 -0.89 118.70 125.97 1x5h s GLU 82 Ca 0.05 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1x5h s GLU 82 Cb -0.24 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1x5h s GLU 82 CO 0.07 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1x5h n GLY 83 N -1.82 0.89 3.50 -1.39 0.00 -0.23 -4.94 105.19 101.20 1x5h n GLY 83 Ca 0.05 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.45 2.66 -0.05 0.99 1.43 0.14 -5.03 118.68 118.38 1x5h s LEU 84 Ca 0.00 -1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 51.98 1x5h s LEU 84 Cb 0.00 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1x5h s LEU 84 CO 0.00 -0.02 0.23 -1.81 0.23 0.00 0.00 176.35 174.98 1x5h s ASP 85 N -3.54 6.49 0.79 2.29 1.11 -1.26 -3.93 116.67 118.62 1x5h s ASP 85 Ca 0.31 0.57 -0.11 0.00 0.18 0.00 0.00 52.55 53.49 1x5h s ASP 85 Cb -0.03 -2.10 0.07 0.00 1.07 0.00 0.00 42.92 41.93 1x5h s ASP 85 CO 0.16 0.33 1.12 0.00 1.18 0.00 0.00 175.17 177.96 1x5h s ARG 86 N -1.37 1.99 -1.23 8.23 1.70 -1.21 -3.83 118.95 123.23 1x5h s ARG 86 Ca 0.22 1.36 -0.14 0.00 -0.47 0.00 0.00 55.73 56.70 1x5h s ARG 86 Cb -0.13 -1.85 -0.01 0.00 -0.57 0.00 0.00 34.95 32.39 1x5h s ARG 86 CO 0.11 -1.87 0.68 0.41 -1.08 0.00 0.00 175.30 173.55 1x5h n GLY 87 N -0.59 -0.72 3.49 3.88 0.00 -1.17 -4.85 105.19 105.23 1x5h n GLY 87 Ca 0.10 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.62 -0.00 0.28 2.61 2.01 -1.25 -4.96 115.64 110.72 1x5h s THR 88 Ca 0.31 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.06 1x5h s THR 88 Cb -0.11 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1x5h s THR 88 CO 0.86 0.00 0.90 -0.70 -0.69 0.00 0.00 174.62 175.00 1x5h s GLU 89 N 0.60 4.58 -0.02 4.92 2.12 -1.26 -2.18 118.70 127.47 1x5h s GLU 89 Ca -0.02 1.28 -0.01 0.00 0.36 0.00 0.00 54.97 56.57 1x5h s GLU 89 Cb -0.05 -2.92 0.01 0.00 0.26 0.00 0.00 34.13 31.44 1x5h s GLU 89 CO -0.03 0.36 0.04 0.71 -0.54 0.00 0.00 175.26 175.79 1x5h s TYR 90 N -1.50 -0.03 -0.04 5.30 2.02 0.66 -3.35 117.35 120.41 1x5h s TYR 90 Ca 0.47 0.13 -0.08 0.00 -0.37 0.00 0.00 57.07 57.22 1x5h s TYR 90 Cb -0.20 -0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 1x5h s TYR 90 CO 0.25 -0.05 0.24 -0.80 -1.57 0.00 0.00 175.55 173.62 1x5h s ASN 91 N 0.41 6.50 0.09 2.29 0.02 -0.98 0.09 114.94 123.36 1x5h s ASN 91 Ca -0.03 0.58 0.02 0.00 -1.02 0.00 0.00 52.86 52.41 1x5h s ASN 91 Cb -0.05 -2.10 -0.04 0.00 0.02 0.00 0.00 41.25 39.08 1x5h s ASN 91 CO -0.01 0.32 -0.08 -0.36 0.02 0.00 0.00 177.10 176.99 1x5h s PHE 92 N -1.17 0.92 -0.23 2.20 0.40 0.18 -2.41 117.98 117.87 1x5h s PHE 92 Ca 0.22 -0.79 -0.11 0.00 -0.60 0.00 0.00 56.93 55.65 1x5h s PHE 92 Cb -0.13 -0.52 0.08 0.00 0.51 0.00 0.00 43.02 42.95 1x5h s PHE 92 CO 0.12 -0.09 0.54 -0.98 0.70 0.00 0.00 175.22 175.50 1x5h s ARG 93 N -3.30 0.52 -0.15 0.44 1.70 -0.47 -2.01 118.95 115.69 1x5h s ARG 93 Ca 0.08 1.05 -0.06 0.00 -0.47 0.00 0.00 55.73 56.33 1x5h s ARG 93 Cb 0.01 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1x5h s ARG 93 CO -0.03 -0.17 0.05 0.08 -1.08 0.00 0.00 175.30 174.15 1x5h s VAL 94 N 1.80 4.71 -0.01 4.99 1.01 -1.26 -1.96 120.40 129.67 1x5h s VAL 94 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1x5h s VAL 94 Cb -0.08 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1x5h s VAL 94 CO -0.16 0.53 -0.05 0.00 0.00 0.00 0.00 175.10 175.42 1x5h s ALA 95 N -0.18 0.47 0.37 5.51 0.00 -0.83 -0.64 121.76 126.46 1x5h s ALA 95 Ca 0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 1x5h s ALA 95 Cb -0.12 -0.18 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 1x5h s ALA 95 CO 0.01 0.08 0.83 0.00 0.00 0.00 0.00 175.76 176.69 1x5h s ALA 96 N 0.13 3.20 0.07 0.00 0.00 -1.19 0.90 121.76 124.86 1x5h s ALA 96 Ca -0.01 0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.25 1x5h s ALA 96 Cb -0.05 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1x5h s ALA 96 CO -0.00 0.24 -0.24 -0.51 0.00 0.00 0.00 175.76 175.24 1x5h s LEU 97 N -3.02 2.21 0.21 0.00 1.43 0.14 0.31 118.68 119.95 1x5h s LEU 97 Ca 0.57 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1x5h s LEU 97 Cb -0.10 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1x5h s LEU 97 CO 0.16 0.20 0.18 0.42 0.23 0.00 0.00 176.35 177.54 1x5h s THR 98 N -0.89 0.00 0.64 5.49 -4.23 -0.94 -1.66 115.64 114.05 1x5h s THR 98 Ca 0.11 -1.90 0.37 0.00 -1.18 0.00 0.00 61.69 59.08 1x5h s THR 98 Cb -0.10 -2.44 0.40 0.00 1.34 0.00 0.00 72.50 71.70 1x5h s THR 98 CO 0.03 -0.01 2.26 -0.29 -0.54 0.00 0.00 174.62 176.07 1x5h h ILE 99 N 2.57 0.21 0.00 2.99 2.10 -1.95 0.21 117.51 123.65 1x5h h ILE 99 Ca -0.34 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1x5h h ILE 99 Cb 1.25 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1x5h h ILE 99 CO 0.50 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.16 1x5h n ASN 100 N -3.37 0.01 0.00 2.19 3.02 -1.26 -5.00 115.26 110.85 1x5h n ASN 100 Ca -0.02 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1x5h n ASN 100 Cb 0.14 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1x5h n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5h n GLY 101 N 1.04 0.51 3.74 7.41 0.00 0.75 -4.30 105.19 114.34 1x5h n GLY 101 Ca 0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1x5h n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5h s THR 102 N 0.00 3.79 0.24 2.61 -4.23 -1.26 -2.23 115.64 114.56 1x5h s THR 102 Ca 0.00 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1x5h s THR 102 Cb 0.00 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.75 1x5h s THR 102 CO 0.00 -0.33 0.08 0.61 -0.54 0.00 0.00 174.62 174.45 1x5h n GLY 103 N -1.07 3.46 3.77 3.99 0.00 0.15 -4.10 105.19 111.39 1x5h n GLY 103 Ca -0.06 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.36 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 -2.92 3.05 -0.06 1.61 0.04 -1.26 -4.61 135.00 130.85 1x5h s PRO 104 Ca 0.06 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.64 1x5h s PRO 104 Cb -0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1x5h s PRO 104 CO 0.04 -1.07 -0.18 0.00 0.04 0.00 0.00 177.00 175.83 1x5h s ALA 105 N -2.08 2.49 0.82 8.56 0.00 -1.26 -3.16 121.76 127.13 1x5h s ALA 105 Ca 0.70 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 1x5h s ALA 105 Cb -0.22 -0.90 0.09 0.00 0.00 0.00 0.00 23.12 22.10 1x5h s ALA 105 CO 0.35 0.47 1.16 0.95 0.00 0.00 0.00 175.76 178.69 1x5h s THR 106 N -0.41 2.32 1.11 0.00 -4.23 0.19 -4.92 115.64 109.70 1x5h s THR 106 Ca 0.04 0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.49 1x5h s THR 106 Cb -0.12 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.38 1x5h s THR 106 CO 0.02 -0.12 -0.09 -0.67 -0.54 0.00 0.00 174.62 173.22 1x5h n ASP 107 N -3.54 -2.42 -4.56 3.99 2.03 -1.26 -4.54 116.55 106.25 1x5h n ASP 107 Ca 0.12 -0.10 -0.40 0.00 0.52 0.00 0.00 54.79 54.93 1x5h n ASP 107 Cb 0.51 -0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.22 2.41 -0.39 -0.67 0.23 -1.26 -4.58 118.94 112.46 1x5h s TRP 108 Ca 0.55 -0.53 -0.24 0.00 -2.03 0.00 0.00 56.10 53.85 1x5h s TRP 108 Cb -0.11 -4.63 0.01 0.00 0.03 0.00 0.00 33.47 28.78 1x5h s TRP 108 CO 0.66 -1.97 0.84 -1.17 0.96 0.00 0.00 176.95 176.27 1x5h s LEU 109 N 5.59 4.09 0.07 2.99 2.96 -0.85 -4.85 118.68 128.69 1x5h s LEU 109 Ca 0.46 0.34 -0.13 0.00 -0.22 0.00 0.00 54.13 54.58 1x5h s LEU 109 Cb -0.02 -3.10 -0.06 0.00 0.50 0.00 0.00 46.19 43.50 1x5h s LEU 109 CO -0.03 -0.82 0.45 -0.94 -1.32 0.00 0.00 176.35 173.68 1x5h s SER 110 N 1.93 6.75 -0.01 3.68 1.04 -1.26 -0.64 113.70 125.19 1x5h s SER 110 Ca 0.34 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1x5h s SER 110 Cb -0.12 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.77 1x5h s SER 110 CO 0.19 0.20 0.00 0.00 0.98 0.00 0.00 173.24 174.61 1x5h s ALA 111 N -1.31 0.10 -0.30 5.32 0.00 0.11 -4.92 121.76 120.76 1x5h s ALA 111 Ca 0.31 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 1x5h s ALA 111 Cb -0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1x5h s ALA 111 CO 0.17 -0.02 0.27 -2.00 0.00 0.00 0.00 175.76 174.18 1x5h s GLU 112 N 0.34 3.81 0.69 0.00 2.12 -1.26 -0.24 118.70 124.16 1x5h s GLU 112 Ca -0.03 -0.32 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 1x5h s GLU 112 Cb -0.05 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1x5h s GLU 112 CO -0.01 -0.31 1.08 0.95 -0.54 0.00 0.00 175.26 176.43 1x5h s THR 113 N 1.87 3.52 -0.00 -1.70 -4.23 -0.93 -4.93 115.64 109.24 1x5h s THR 113 Ca 0.09 0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 60.91 1x5h s THR 113 Cb -0.16 -3.15 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 1x5h s THR 113 CO 0.11 -0.54 1.59 -0.36 -0.54 0.00 0.00 174.62 174.88 1x5h s PHE 114 N -2.66 2.35 0.60 3.99 0.08 -1.26 -3.24 117.98 117.83 1x5h s PHE 114 Ca 0.63 0.40 0.28 0.00 0.12 0.00 0.00 56.93 58.36 1x5h s PHE 114 Cb -0.17 -3.87 1.33 0.00 -0.57 0.00 0.00 43.02 39.74 1x5h s PHE 114 CO 0.47 -3.49 1.73 0.93 -0.10 0.00 0.00 175.22 174.77 1x5h h GLU 115 N 8.71 0.00 -4.44 0.44 3.07 -1.92 -3.10 114.58 117.33 1x5h h GLU 115 Ca -0.40 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.27 1x5h h GLU 115 Cb 1.18 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.94 1x5h h GLU 115 CO 0.93 0.00 -0.65 -1.12 -1.40 0.00 0.00 179.01 176.77 1x5h s SER 116 N -4.67 0.37 0.22 1.42 0.01 -1.26 -4.29 113.70 105.50 1x5h s SER 116 Ca -0.04 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 55.94 1x5h s SER 116 Cb 0.15 0.28 0.23 0.00 0.21 0.00 0.00 66.02 66.89 1x5h s SER 116 CO 0.50 -0.72 1.87 0.44 0.41 0.00 0.00 173.24 175.74 1x5h h ASP 117 N 2.86 0.83 -2.00 2.44 3.32 -2.00 -3.41 116.42 118.47 1x5h h ASP 117 Ca -0.35 -0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.11 1x5h h ASP 117 Cb 1.20 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1x5h h ASP 117 CO 0.59 0.57 1.47 -0.11 -1.72 0.00 0.00 179.24 180.04 1x5h n LEU 118 N -4.60 3.34 -4.79 1.55 7.94 -1.26 -4.82 117.00 114.35 1x5h n LEU 118 Ca 0.09 0.28 -0.32 0.00 -1.11 0.00 0.00 56.01 54.95 1x5h n LEU 118 Cb 0.09 -1.55 -0.07 0.00 0.53 0.00 0.00 43.42 42.43 1x5h n LEU 118 CO 0.33 -0.59 -0.24 1.51 -1.11 0.00 0.00 177.39 177.29 1x5h s ASP 119 N 7.89 5.71 0.22 1.96 -4.77 -1.26 -4.96 116.67 121.45 1x5h s ASP 119 Ca 1.00 0.12 -0.08 0.00 -3.30 0.00 0.00 52.55 50.29 1x5h s ASP 119 Cb -0.36 -1.63 -0.07 0.00 -1.09 0.00 0.00 42.92 39.78 1x5h s ASP 119 CO 0.36 0.24 0.51 -1.83 0.70 0.00 0.00 175.17 175.15 1x5h s GLU 120 N -1.96 3.73 -0.36 2.11 -1.05 -1.26 -5.05 118.70 114.87 1x5h s GLU 120 Ca 0.25 0.15 -0.26 0.00 -0.15 0.00 0.00 54.97 54.97 1x5h s GLU 120 Cb -0.12 -2.70 0.01 0.00 -0.44 0.00 0.00 34.13 30.89 1x5h s GLU 120 CO 0.17 0.34 0.92 0.99 0.95 0.00 0.00 175.26 178.63 1x5h s THR 121 N -1.81 4.60 0.28 1.83 2.01 -1.26 -5.01 115.64 116.28 1x5h s THR 121 Ca 0.45 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.71 1x5h s THR 121 Cb -0.11 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 1x5h s THR 121 CO 0.23 -0.50 0.23 0.00 -0.69 0.00 0.00 174.62 173.89 1x5h s ARG 122 N 3.42 1.54 -0.02 4.92 1.70 -1.26 -5.17 118.95 124.09 1x5h s ARG 122 Ca 0.38 -1.84 0.04 0.00 -0.47 0.00 0.00 55.73 53.84 1x5h s ARG 122 Cb -0.12 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1x5h s ARG 122 CO 0.18 -0.56 -0.14 0.08 -1.08 0.00 0.00 175.30 173.78 1x5h s VAL 123 N -3.71 1.14 1.05 4.99 1.01 -1.26 -5.15 120.40 118.47 1x5h s VAL 123 Ca 0.39 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1x5h s VAL 123 Cb 0.04 -0.96 0.22 0.00 0.00 0.00 0.00 36.38 35.67 1x5h s VAL 123 CO 0.21 0.33 1.10 -2.16 0.00 0.00 0.00 175.10 174.57 1x5h s PRO 124 N -0.21 -0.01 -0.26 2.72 0.04 -1.26 -5.08 135.00 130.95 1x5h s PRO 124 Ca 0.03 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.42 1x5h s PRO 124 Cb -0.07 -1.70 0.15 0.00 0.04 0.00 0.00 34.50 32.92 1x5h s PRO 124 CO -0.00 -2.99 0.42 -2.00 0.04 0.00 0.00 177.00 172.47 1x5h s GLU 125 N -5.05 0.39 0.85 4.56 2.56 -1.26 -5.16 118.70 115.60 1x5h s GLU 125 Ca 0.67 0.62 -0.11 0.00 0.00 0.00 0.00 54.97 56.15 1x5h s GLU 125 Cb -0.17 -0.27 0.15 0.00 2.00 0.00 0.00 34.13 35.84 1x5h s GLU 125 CO 0.57 -0.65 1.19 0.14 -0.56 0.00 0.00 175.26 175.96 1x5h s VAL 126 N 2.61 2.07 0.05 3.70 -7.23 -1.26 -5.03 120.40 115.30 1x5h s VAL 126 Ca 0.14 -0.15 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 1x5h s VAL 126 Cb -0.15 -2.92 0.09 0.00 0.56 0.00 0.00 36.38 33.96 1x5h s VAL 126 CO -0.17 0.00 0.96 -0.55 -0.31 0.00 0.00 175.10 175.02 1x5h s SER 127 N -4.75 -0.26 -0.42 4.85 0.15 -1.26 -5.11 113.70 106.90 1x5h s SER 127 Ca 0.68 -0.16 0.07 0.00 0.70 0.00 0.00 55.95 57.25 1x5h s SER 127 Cb -0.06 0.40 0.24 0.00 -1.71 0.00 0.00 66.02 64.89 1x5h s SER 127 CO 0.49 -0.69 0.52 0.61 1.20 0.00 0.00 173.24 175.38 1x5h n GLY 128 N -0.34 2.96 3.68 9.45 0.00 -1.26 -5.10 105.19 114.58 1x5h n GLY 128 Ca -0.07 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1x5h n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 129 N -1.16 4.24 -0.09 1.61 0.04 -1.26 -4.91 135.00 133.46 1x5h s PRO 129 Ca 0.35 2.02 -0.40 0.00 0.04 0.00 0.00 61.00 63.01 1x5h s PRO 129 Cb 0.15 -3.69 -0.18 0.00 0.04 0.00 0.00 34.50 30.82 1x5h s PRO 129 CO -0.11 -0.67 1.33 0.45 0.04 0.00 0.00 177.00 178.04 1x5h n SER 130 N 5.95 1.01 -0.03 6.66 2.88 -1.26 -4.84 113.62 123.99 1x5h n SER 130 Ca 0.14 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.74 1x5h n SER 130 Cb 0.43 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 62.84 1x5h n SER 130 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x5h h SER 131 N 4.36 -0.82 0.00 -3.46 0.02 -2.02 -3.51 113.55 108.12 1x5h h SER 131 Ca -0.48 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1x5h h SER 131 Cb 1.38 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1x5h h SER 131 CO 0.78 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.79