#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 -0.44 0.09 1.61 1.04 -1.26 -5.18 113.70 109.56 1x5h s SER 2 Ca 0.00 0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.20 1x5h s SER 2 Cb 0.00 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.73 1x5h s SER 2 CO 0.00 -0.82 1.12 -0.94 0.98 0.00 0.00 173.24 173.58 1x5h s SER 3 N -2.37 -0.07 0.00 7.02 1.04 -1.26 -5.14 113.70 112.93 1x5h s SER 3 Ca -0.02 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1x5h s SER 3 Cb -0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x5h s SER 3 CO -0.07 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1x5h n GLY 4 N -0.59 -1.20 4.04 7.32 0.00 -1.26 -5.02 105.19 108.48 1x5h n GLY 4 Ca -0.05 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1x5h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5h n SER 5 N 0.00 -3.07 -4.96 1.61 2.88 -1.26 -4.96 113.62 103.87 1x5h n SER 5 Ca 0.00 -0.92 -0.20 0.00 -1.33 0.00 0.00 58.87 56.42 1x5h n SER 5 Cb 0.00 -3.26 0.04 0.00 -0.75 0.00 0.00 64.21 60.24 1x5h n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5h s SER 6 N -3.58 5.26 0.24 -3.46 0.15 -1.26 -5.13 113.70 105.92 1x5h s SER 6 Ca 0.53 -0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.74 1x5h s SER 6 Cb -0.28 -0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 1x5h s SER 6 CO 0.88 -1.14 0.38 -0.83 1.20 0.00 0.00 173.24 173.73 1x5h s GLY 7 N -4.48 0.92 0.19 9.45 0.00 -1.26 -5.18 107.32 106.95 1x5h s GLY 7 Ca 0.58 -1.20 -0.07 0.00 0.00 0.00 0.00 44.72 44.04 1x5h s GLY 7 CO 0.37 -0.90 0.26 0.51 0.00 0.00 0.00 173.10 173.35 1x5h s ASP 8 N -3.09 0.07 -0.12 1.64 1.47 -1.26 -5.16 116.67 110.23 1x5h s ASP 8 Ca 0.28 -1.05 -0.01 0.00 1.18 0.00 0.00 52.55 52.95 1x5h s ASP 8 Cb 0.02 0.44 0.03 0.00 -0.34 0.00 0.00 42.92 43.07 1x5h s ASP 8 CO 0.11 -0.91 -0.04 -0.69 0.68 0.00 0.00 175.17 174.32 1x5h s VAL 9 N -4.03 0.79 0.02 2.11 1.01 -1.26 -5.11 120.40 113.92 1x5h s VAL 9 Ca 0.24 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1x5h s VAL 9 Cb 0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1x5h s VAL 9 CO 0.05 0.23 1.41 0.00 0.00 0.00 0.00 175.10 176.79 1x5h s ALA 10 N 1.79 3.58 0.91 5.51 0.00 -1.26 -5.01 121.76 127.29 1x5h s ALA 10 Ca 0.04 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 1x5h s ALA 10 Cb -0.13 -3.59 0.14 0.00 0.00 0.00 0.00 23.12 19.54 1x5h s ALA 10 CO -0.07 -0.88 1.15 0.14 0.00 0.00 0.00 175.76 176.10 1x5h s VAL 11 N 2.23 1.98 -0.25 0.00 -7.23 -1.26 -5.05 120.40 110.82 1x5h s VAL 11 Ca 0.64 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.78 1x5h s VAL 11 Cb -0.32 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 33.84 1x5h s VAL 11 CO 0.27 0.00 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.91 1x5h s ARG 12 N -5.37 3.08 0.52 4.82 0.52 -1.26 -5.09 118.95 116.18 1x5h s ARG 12 Ca 0.65 -0.83 -0.22 0.00 -0.52 0.00 0.00 55.73 54.81 1x5h s ARG 12 Cb -0.13 -3.09 -0.07 0.00 0.52 0.00 0.00 34.95 32.18 1x5h s ARG 12 CO 0.53 -0.34 1.16 -2.37 0.02 0.00 0.00 175.30 174.30 1x5h n THR 13 N 4.76 3.33 -3.43 0.02 5.66 -1.26 -4.94 114.28 118.43 1x5h n THR 13 Ca -0.17 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 59.89 1x5h n THR 13 Cb 0.49 -1.40 -0.03 0.00 -1.55 0.00 0.00 70.33 67.83 1x5h n THR 13 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1x5h s LEU 14 N -2.20 6.34 0.26 1.09 1.43 -1.26 -5.05 118.68 119.29 1x5h s LEU 14 Ca 0.70 -2.92 0.05 0.00 -1.03 0.00 0.00 54.13 50.93 1x5h s LEU 14 Cb -0.46 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1x5h s LEU 14 CO 0.51 -0.47 0.39 -0.94 0.23 0.00 0.00 176.35 176.08 1x5h s SER 15 N 1.60 6.25 0.07 2.29 1.04 -1.26 -5.04 113.70 118.64 1x5h s SER 15 Ca 0.20 0.03 -0.31 0.00 0.48 0.00 0.00 55.95 56.35 1x5h s SER 15 Cb -0.12 -1.74 -0.16 0.00 0.10 0.00 0.00 66.02 64.11 1x5h s SER 15 CO -0.08 -0.16 1.48 0.44 0.98 0.00 0.00 173.24 175.90 1x5h h ASP 16 N 1.09 -1.14 -2.16 7.02 3.32 -1.96 -3.44 116.42 119.15 1x5h h ASP 16 Ca -0.51 0.08 -0.58 0.00 0.02 0.00 0.00 57.03 56.04 1x5h h ASP 16 Cb 1.24 0.36 0.20 0.00 0.22 0.00 0.00 39.33 41.34 1x5h h ASP 16 CO 0.59 -0.61 -1.25 1.33 -1.72 0.00 0.00 179.24 177.58 1x5h n VAL 17 N -5.08 0.25 -2.26 -1.35 0.24 -1.26 -4.88 118.33 103.99 1x5h n VAL 17 Ca -0.11 -0.49 -0.36 0.00 -2.04 0.00 0.00 64.34 61.34 1x5h n VAL 17 Cb 0.41 -0.10 -0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.52 3.53 -0.38 7.34 0.04 -1.26 -4.99 135.00 137.76 1x5h s PRO 18 Ca 0.53 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.35 1x5h s PRO 18 Cb -0.39 -2.18 0.44 0.00 0.04 0.00 0.00 34.50 32.41 1x5h s PRO 18 CO 0.70 -0.72 1.09 0.45 0.04 0.00 0.00 177.00 178.56 1x5h n SER 19 N -0.94 3.85 -3.87 6.66 2.88 -1.26 -4.01 113.62 116.93 1x5h n SER 19 Ca 0.10 -3.41 -0.18 0.00 -1.33 0.00 0.00 58.87 54.05 1x5h n SER 19 Cb 0.50 -0.46 -0.16 0.00 -0.75 0.00 0.00 64.21 63.34 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5h s ALA 20 N -3.47 0.45 0.19 -1.46 0.00 -1.26 -4.96 121.76 111.25 1x5h s ALA 20 Ca 0.43 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1x5h s ALA 20 Cb 0.41 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1x5h s ALA 20 CO -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 175.76 175.63 1x5h s ALA 21 N 0.74 3.14 0.23 0.00 0.00 -1.26 -4.33 121.76 120.27 1x5h s ALA 21 Ca -0.08 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1x5h s ALA 21 Cb -0.12 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.01 1x5h s ALA 21 CO -0.01 0.44 1.28 -1.25 0.00 0.00 0.00 175.76 176.23 1x5h s PRO 22 N -3.04 4.41 0.53 0.00 0.04 -1.26 -4.33 135.00 131.34 1x5h s PRO 22 Ca 0.27 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.45 1x5h s PRO 22 Cb -0.09 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.33 1x5h s PRO 22 CO 0.18 -0.19 0.66 -0.65 0.04 0.00 0.00 177.00 177.04 1x5h s GLN 23 N -0.49 2.43 -1.55 4.56 -0.21 -0.45 -4.58 119.66 119.37 1x5h s GLN 23 Ca 0.54 -1.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.27 1x5h s GLN 23 Cb -0.36 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.08 1x5h s GLN 23 CO 0.41 -0.65 0.67 0.09 -2.12 0.00 0.00 175.29 173.68 1x5h n ASN 24 N -2.04 -6.16 -4.77 5.90 3.02 -1.26 -0.22 115.26 109.72 1x5h n ASN 24 Ca 0.11 -0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 53.94 1x5h n ASN 24 Cb 0.61 -4.96 -0.01 0.00 -0.61 0.00 0.00 39.78 34.81 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 -6.76 4.34 0.16 3.41 2.96 -1.26 -4.29 118.68 117.24 1x5h s LEU 25 Ca 0.34 2.86 -0.19 0.00 -0.22 0.00 0.00 54.13 56.91 1x5h s LEU 25 Cb -0.15 -3.70 0.04 0.00 0.50 0.00 0.00 46.19 42.89 1x5h s LEU 25 CO 0.42 -0.75 0.52 -0.44 -1.32 0.00 0.00 176.35 174.77 1x5h s SER 26 N -0.36 -0.36 -0.24 3.68 0.01 0.79 -4.98 113.70 112.25 1x5h s SER 26 Ca 0.52 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 1x5h s SER 26 Cb -0.43 0.56 0.08 0.00 0.21 0.00 0.00 66.02 66.44 1x5h s SER 26 CO 0.57 -0.97 0.07 -0.76 0.41 0.00 0.00 173.24 172.56 1x5h s LEU 27 N -2.81 1.26 -1.20 2.44 1.43 -1.26 -0.95 118.68 117.59 1x5h s LEU 27 Ca 0.04 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 51.92 1x5h s LEU 27 Cb -0.00 -0.59 0.19 0.00 0.03 0.00 0.00 46.19 45.81 1x5h s LEU 27 CO -0.09 -0.36 1.40 1.21 0.23 0.00 0.00 176.35 178.74 1x5h n GLU 28 N 5.05 3.40 -1.52 1.70 4.07 0.12 -4.93 120.64 128.53 1x5h n GLU 28 Ca -0.06 -3.93 -0.25 0.00 -0.06 0.00 0.00 57.16 52.85 1x5h n GLU 28 Cb 0.45 -2.97 -0.17 0.00 -0.06 0.00 0.00 31.44 28.69 1x5h n GLU 28 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1x5h n VAL 29 N 4.32 -0.01 0.25 6.31 0.31 -1.26 -2.97 118.33 125.28 1x5h n VAL 29 Ca 0.35 -0.43 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 1x5h n VAL 29 Cb 0.42 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.55 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 12.19 -0.58 0.00 5.55 2.47 -1.82 -3.47 114.38 128.72 1x5h h ARG 30 Ca -0.01 0.04 -0.38 0.00 -1.26 0.00 0.00 59.98 58.37 1x5h h ARG 30 Cb 1.15 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 29.50 1x5h h ARG 30 CO 1.42 -0.34 -0.36 0.09 0.56 0.00 0.00 179.97 181.34 1x5h n ASN 31 N -5.32 -0.03 0.19 7.04 3.02 0.28 -4.98 115.26 115.47 1x5h n ASN 31 Ca -0.11 -2.68 0.05 0.00 -0.03 0.00 0.00 54.58 51.81 1x5h n ASN 31 Cb 0.27 1.14 0.34 0.00 -0.61 0.00 0.00 39.78 40.91 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 1.47 0.00 -0.19 6.41 4.64 -1.89 -3.04 113.55 120.95 1x5h h SER 32 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1x5h h SER 32 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1x5h h SER 32 CO 0.30 0.38 0.00 2.29 -0.87 0.00 0.00 176.83 178.93 1x5h n LYS 33 N -3.56 2.35 -3.90 4.77 2.85 -1.26 -3.81 118.16 115.62 1x5h n LYS 33 Ca -0.00 -1.69 -0.16 0.00 -1.05 0.00 0.00 58.31 55.41 1x5h n LYS 33 Cb 0.51 -1.17 -0.16 0.00 -0.65 0.00 0.00 35.03 33.56 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5h s SER 34 N -0.93 0.30 -0.19 -5.58 1.04 -1.15 -0.29 113.70 106.90 1x5h s SER 34 Ca 0.14 -0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 1x5h s SER 34 Cb 0.08 -0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.09 1x5h s SER 34 CO 0.10 -0.09 -0.02 -0.63 0.98 0.00 0.00 173.24 173.59 1x5h s ILE 35 N 0.90 0.95 -0.03 -1.02 1.01 -0.64 -0.55 121.20 121.82 1x5h s ILE 35 Ca -0.09 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 1x5h s ILE 35 Cb -0.12 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1x5h s ILE 35 CO -0.02 -0.06 0.82 -0.32 0.00 0.00 0.00 174.94 175.36 1x5h s MET 36 N 1.67 4.49 -0.17 2.79 -2.45 -1.16 -2.16 119.30 122.32 1x5h s MET 36 Ca -0.02 1.12 -0.07 0.00 -1.25 0.00 0.00 55.69 55.48 1x5h s MET 36 Cb -0.17 -3.45 -0.04 0.00 1.25 0.00 0.00 34.83 32.42 1x5h s MET 36 CO -0.07 0.02 0.05 0.42 1.05 0.00 0.00 175.02 176.49 1x5h s ILE 37 N 0.86 4.66 -0.17 10.11 1.01 -0.17 0.12 121.20 137.61 1x5h s ILE 37 Ca 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1x5h s ILE 37 Cb -0.19 -3.09 0.04 0.00 0.01 0.00 0.00 42.46 39.23 1x5h s ILE 37 CO 0.23 0.48 -0.10 -1.00 0.00 0.00 0.00 174.94 174.54 1x5h s HIS 38 N 0.27 2.16 0.26 3.97 3.76 -0.13 -2.67 115.29 122.91 1x5h s HIS 38 Ca 0.03 -1.34 0.02 0.00 -0.15 0.00 0.00 55.06 53.62 1x5h s HIS 38 Cb -0.13 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 1x5h s HIS 38 CO 0.01 -0.68 0.07 1.67 -0.85 0.00 0.00 174.74 174.95 1x5h s TRP 39 N 1.49 1.57 0.09 1.40 -2.14 -1.15 -0.14 118.94 120.05 1x5h s TRP 39 Ca 0.01 -1.10 0.09 0.00 2.66 0.00 0.00 56.10 57.77 1x5h s TRP 39 Cb -0.15 -0.94 -0.04 0.00 -3.10 0.00 0.00 33.47 29.25 1x5h s TRP 39 CO -0.09 -0.23 -0.23 -0.65 -2.66 0.00 0.00 176.95 173.09 1x5h s GLN 40 N -3.98 1.71 0.43 3.25 -1.52 0.69 -4.79 119.66 115.44 1x5h s GLN 40 Ca 0.35 -1.18 -0.24 0.00 -1.95 0.00 0.00 55.36 52.33 1x5h s GLN 40 Cb 0.07 -2.02 -0.08 0.00 -0.22 0.00 0.00 33.01 30.77 1x5h s GLN 40 CO 0.12 0.49 1.18 -1.25 -0.25 0.00 0.00 175.29 175.58 1x5h s PRO 41 N -1.75 3.92 1.04 2.91 0.04 -1.26 -1.34 135.00 138.56 1x5h s PRO 41 Ca 0.14 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1x5h s PRO 41 Cb -0.10 -2.56 0.21 0.00 0.04 0.00 0.00 34.50 32.08 1x5h s PRO 41 CO 0.06 -0.44 1.10 -1.25 0.04 0.00 0.00 177.00 176.51 1x5h s PRO 42 N -2.47 0.08 0.57 0.56 0.04 -1.26 -4.61 135.00 127.90 1x5h s PRO 42 Ca 0.60 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.84 1x5h s PRO 42 Cb -0.30 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1x5h s PRO 42 CO 0.38 -2.94 0.97 0.00 0.04 0.00 0.00 177.00 175.45 1x5h n ALA 43 N -4.30 0.20 0.55 8.56 0.00 -1.26 -4.77 120.51 119.49 1x5h n ALA 43 Ca 0.06 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1x5h n ALA 43 Cb 0.58 -2.11 0.32 0.00 0.00 0.00 0.00 19.45 18.24 1x5h n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5h n PRO 44 N -0.77 0.06 -0.03 0.00 -0.04 -1.26 -1.41 135.00 131.55 1x5h n PRO 44 Ca 0.13 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1x5h n PRO 44 Cb 0.46 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 1x5h n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5h n ALA 45 N -1.44 2.01 -0.03 0.55 0.00 -1.26 -4.37 120.51 115.96 1x5h n ALA 45 Ca 0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1x5h n ALA 45 Cb 0.15 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1x5h n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5h n THR 46 N -2.68 1.61 -0.34 0.00 -2.24 -0.98 -4.24 114.28 105.41 1x5h n THR 46 Ca -0.16 -0.76 0.28 0.00 -2.27 0.00 0.00 64.05 61.13 1x5h n THR 46 Cb 0.88 -1.12 0.46 0.00 -2.10 0.00 0.00 70.33 68.46 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 -3.11 -0.02 -1.98 -0.78 6.02 -0.50 -4.35 117.38 112.67 1x5h n GLN 47 Ca -0.24 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.39 1x5h n GLN 47 Cb 1.06 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 30.65 1x5h n GLN 47 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1x5h n ASN 48 N -3.90 -5.09 0.00 1.08 2.85 -1.26 -4.74 115.26 104.19 1x5h n ASN 48 Ca 0.27 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 1x5h n ASN 48 Cb 1.09 -4.16 0.00 0.00 1.24 0.00 0.00 39.78 37.95 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5h n GLY 49 N -0.94 2.49 3.76 8.20 0.00 -1.26 -4.81 105.19 112.64 1x5h n GLY 49 Ca -0.19 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.78 3.58 -0.14 1.61 -2.07 -1.26 -4.99 119.66 114.62 1x5h s GLN 50 Ca 0.00 2.10 -0.19 0.00 -1.82 0.00 0.00 55.36 55.46 1x5h s GLN 50 Cb 0.00 -2.47 -0.04 0.00 -1.09 0.00 0.00 33.01 29.41 1x5h s GLN 50 CO 0.00 -0.80 0.51 0.42 -1.32 0.00 0.00 175.29 174.10 1x5h s ILE 51 N -1.35 5.16 -0.10 3.63 1.01 -1.26 -4.51 121.20 123.77 1x5h s ILE 51 Ca 0.64 0.99 0.05 0.00 0.00 0.00 0.00 60.65 62.33 1x5h s ILE 51 Cb -0.37 -3.84 -0.24 0.00 0.01 0.00 0.00 42.46 38.02 1x5h s ILE 51 CO 0.45 0.28 0.42 0.35 0.00 0.00 0.00 174.94 176.44 1x5h n THR 52 N 3.91 1.65 -3.61 2.92 -2.24 -0.27 -4.56 114.28 112.08 1x5h n THR 52 Ca -0.06 -0.73 -0.04 0.00 -2.27 0.00 0.00 64.05 60.95 1x5h n THR 52 Cb 0.51 -1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.44 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 -5.44 -0.24 -0.21 3.38 0.00 -1.22 -0.73 107.32 102.87 1x5h s GLY 53 Ca -0.14 1.79 -0.06 0.00 0.00 0.00 0.00 44.72 46.31 1x5h s GLY 53 CO 0.79 0.62 0.03 -0.19 0.00 0.00 0.00 173.10 174.34 1x5h s TYR 54 N -2.18 3.09 -0.37 1.90 2.02 -1.07 -0.58 117.35 120.16 1x5h s TYR 54 Ca 0.10 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 1x5h s TYR 54 Cb -0.01 -2.12 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 1x5h s TYR 54 CO -0.04 -0.18 0.67 0.21 -1.57 0.00 0.00 175.55 174.64 1x5h s LYS 55 N 1.01 3.63 -0.43 -0.62 2.20 0.29 -3.08 119.74 122.75 1x5h s LYS 55 Ca 0.03 0.05 -0.14 0.00 -0.36 0.00 0.00 55.97 55.54 1x5h s LYS 55 Cb -0.14 -3.83 0.05 0.00 -1.51 0.00 0.00 37.83 32.40 1x5h s LYS 55 CO 0.02 -0.81 0.33 0.42 -0.36 0.00 0.00 175.35 174.95 1x5h s ILE 56 N 2.83 5.08 -0.05 5.43 1.01 0.14 -0.80 121.20 134.85 1x5h s ILE 56 Ca 0.26 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1x5h s ILE 56 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1x5h s ILE 56 CO 0.16 -0.44 -0.01 -0.13 0.00 0.00 0.00 174.94 174.52 1x5h s ARG 57 N 1.63 2.86 0.01 2.79 0.52 -0.21 -0.91 118.95 125.65 1x5h s ARG 57 Ca 0.04 -0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 54.61 1x5h s ARG 57 Cb -0.22 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.57 1x5h s ARG 57 CO 0.07 0.67 0.29 1.52 0.02 0.00 0.00 175.30 177.87 1x5h s TYR 58 N -0.94 -0.12 0.33 -0.53 1.13 -1.14 -0.04 117.35 116.04 1x5h s TYR 58 Ca 0.15 0.08 0.06 0.00 -1.41 0.00 0.00 57.07 55.96 1x5h s TYR 58 Cb -0.11 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.80 1x5h s TYR 58 CO 0.05 -0.43 0.29 -0.98 -2.51 0.00 0.00 175.55 171.97 1x5h s ARG 59 N -1.90 1.76 -0.02 -3.49 1.70 0.22 -2.15 118.95 115.07 1x5h s ARG 59 Ca -0.10 -1.99 -0.16 0.00 -0.47 0.00 0.00 55.73 53.00 1x5h s ARG 59 Cb -0.03 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1x5h s ARG 59 CO 0.01 -0.66 0.45 0.15 -1.08 0.00 0.00 175.30 174.17 1x5h s LYS 60 N -3.42 4.09 0.62 3.89 1.02 -0.86 -1.09 119.74 123.99 1x5h s LYS 60 Ca 0.40 0.48 0.29 0.00 0.02 0.00 0.00 55.97 57.16 1x5h s LYS 60 Cb 0.02 -3.29 1.57 0.00 -0.52 0.00 0.00 37.83 35.62 1x5h s LYS 60 CO 0.27 0.53 1.94 0.00 -0.92 0.00 0.00 175.35 177.17 1x5h h ALA 61 N 5.25 1.77 0.10 5.17 0.00 -1.91 -0.84 119.26 128.80 1x5h h ALA 61 Ca -0.48 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 1x5h h ALA 61 Cb 1.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1x5h h ALA 61 CO 0.66 -0.49 -1.94 0.45 0.00 0.00 0.00 179.25 177.92 1x5h n SER 62 N -3.38 2.09 -4.07 0.00 2.88 -1.26 -4.81 113.62 105.06 1x5h n SER 62 Ca 0.03 0.22 -0.32 0.00 -1.33 0.00 0.00 58.87 57.47 1x5h n SER 62 Cb 0.50 -0.86 -0.15 0.00 -0.75 0.00 0.00 64.21 62.95 1x5h n SER 62 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x5h s ARG 63 N -2.53 2.23 -0.20 -1.46 3.52 -0.32 -4.98 118.95 115.20 1x5h s ARG 63 Ca -0.24 -1.36 -0.22 0.00 -0.13 0.00 0.00 55.73 53.78 1x5h s ARG 63 Cb 0.07 -2.91 -0.20 0.00 -1.56 0.00 0.00 34.95 30.35 1x5h s ARG 63 CO 0.74 -0.58 0.27 0.87 -0.81 0.00 0.00 175.30 175.78 1x5h h LYS 64 N 7.78 0.00 -0.86 5.12 6.56 -1.87 -2.28 116.57 131.01 1x5h h LYS 64 Ca -0.19 0.00 0.31 0.00 -1.06 0.00 0.00 60.65 59.71 1x5h h LYS 64 Cb 1.04 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.54 1x5h h LYS 64 CO 0.47 0.98 0.29 -1.13 -2.06 0.00 0.00 179.45 177.99 1x5h n SER 65 N -4.46 0.14 -4.60 0.86 3.41 -1.26 -3.78 113.62 103.94 1x5h n SER 65 Ca -0.29 1.44 -0.43 0.00 -0.26 0.00 0.00 58.87 59.33 1x5h n SER 65 Cb 0.65 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1x5h n SER 65 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x5h s ASP 66 N -4.75 6.62 0.13 4.04 2.15 -1.26 -5.01 116.67 118.58 1x5h s ASP 66 Ca -0.09 0.44 0.09 0.00 0.43 0.00 0.00 52.55 53.41 1x5h s ASP 66 Cb 0.28 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1x5h s ASP 66 CO 0.67 -1.23 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.55 1x5h s VAL 67 N 4.37 1.82 -0.10 1.11 1.01 -1.25 -4.31 120.40 123.05 1x5h s VAL 67 Ca 0.47 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1x5h s VAL 67 Cb -0.07 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1x5h s VAL 67 CO 0.31 -0.13 -0.20 -0.89 0.00 0.00 0.00 175.10 174.19 1x5h s THR 68 N -1.45 1.75 0.14 3.92 2.01 -0.91 -4.99 115.64 116.11 1x5h s THR 68 Ca 0.10 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 61.06 1x5h s THR 68 Cb -0.09 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.81 1x5h s THR 68 CO 0.05 0.49 0.68 -0.70 -0.69 0.00 0.00 174.62 174.46 1x5h s GLU 69 N 0.57 4.36 -0.25 4.92 -6.30 -1.26 -2.90 118.70 117.83 1x5h s GLU 69 Ca -0.15 0.93 -0.02 0.00 -2.50 0.00 0.00 54.97 53.23 1x5h s GLU 69 Cb -0.17 -3.18 0.12 0.00 0.00 0.00 0.00 34.13 30.91 1x5h s GLU 69 CO 0.05 0.57 0.30 0.99 0.02 0.00 0.00 175.26 177.18 1x5h s THR 70 N -1.21 -0.44 0.43 -1.70 2.01 -0.09 -4.99 115.64 109.66 1x5h s THR 70 Ca 0.34 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1x5h s THR 70 Cb -0.20 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1x5h s THR 70 CO 0.22 -0.30 0.66 -0.76 -0.69 0.00 0.00 174.62 173.75 1x5h s LEU 71 N 2.40 3.73 0.00 4.42 1.43 -1.26 0.29 118.68 129.69 1x5h s LEU 71 Ca 0.09 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1x5h s LEU 71 Cb -0.15 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1x5h s LEU 71 CO -0.23 -0.59 0.00 1.33 0.23 0.00 0.00 176.35 177.09 1x5h n VAL 72 N -2.03 0.00 -3.66 -1.59 0.24 -1.18 -4.94 118.33 105.18 1x5h n VAL 72 Ca -0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1x5h n VAL 72 Cb 0.57 -0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.63 1x5h n VAL 72 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5h s SER 73 N -0.41 -0.11 0.08 -1.34 0.15 -1.26 -4.94 113.70 105.86 1x5h s SER 73 Ca 0.00 -0.21 -0.20 0.00 0.70 0.00 0.00 55.95 56.24 1x5h s SER 73 Cb 0.00 0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 64.48 1x5h s SER 73 CO 0.00 -0.49 1.56 1.23 1.20 0.00 0.00 173.24 176.74 1x5h h GLY 74 N 2.00 0.32 -3.77 9.45 0.00 -1.17 -2.81 103.07 107.09 1x5h h GLY 74 Ca -0.27 -0.21 -0.55 0.00 0.00 0.00 0.00 47.33 46.30 1x5h h GLY 74 CO 0.27 0.19 0.57 -0.37 0.00 0.00 0.00 176.54 177.20 1x5h n THR 75 N -4.78 3.28 -3.85 4.70 5.66 -1.26 -4.57 114.28 113.46 1x5h n THR 75 Ca -0.04 -2.61 -0.36 0.00 -3.05 0.00 0.00 64.05 57.98 1x5h n THR 75 Cb 0.17 -0.80 -0.13 0.00 -1.55 0.00 0.00 70.33 68.02 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 -3.55 2.91 -0.30 1.09 0.74 -1.17 -4.96 119.66 114.42 1x5h s GLN 76 Ca 0.59 -0.96 0.10 0.00 0.05 0.00 0.00 55.36 55.14 1x5h s GLN 76 Cb 0.48 -3.22 0.57 0.00 1.10 0.00 0.00 33.01 31.94 1x5h s GLN 76 CO 0.04 -0.46 1.58 1.28 -0.55 0.00 0.00 175.29 177.18 1x5h n LEU 77 N 4.77 4.78 -3.67 3.68 4.77 -1.26 -4.66 117.00 125.42 1x5h n LEU 77 Ca -0.15 -3.53 -0.13 0.00 -0.03 0.00 0.00 56.01 52.18 1x5h n LEU 77 Cb 0.47 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1x5h n LEU 77 CO 0.29 1.05 0.15 -0.94 -1.33 0.00 0.00 177.39 176.61 1x5h s SER 78 N -2.02 -0.27 -0.03 -1.43 1.04 -1.26 -2.96 113.70 106.77 1x5h s SER 78 Ca 0.48 -0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.58 1x5h s SER 78 Cb 0.41 0.43 0.09 0.00 0.10 0.00 0.00 66.02 67.05 1x5h s SER 78 CO 0.05 -0.68 0.80 -1.58 0.98 0.00 0.00 173.24 172.82 1x5h s GLN 79 N -2.58 0.91 -0.23 4.02 2.00 -1.09 -4.96 119.66 117.73 1x5h s GLN 79 Ca -0.05 -0.04 0.02 0.00 -2.00 0.00 0.00 55.36 53.29 1x5h s GLN 79 Cb -0.01 0.43 0.05 0.00 0.80 0.00 0.00 33.01 34.28 1x5h s GLN 79 CO -0.03 -0.34 -0.11 -1.17 -0.50 0.00 0.00 175.29 173.14 1x5h s LEU 80 N -1.76 2.80 -0.61 3.68 2.96 -1.26 -1.00 118.68 123.48 1x5h s LEU 80 Ca -0.02 -1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 52.59 1x5h s LEU 80 Cb -0.01 -1.39 0.13 0.00 0.50 0.00 0.00 46.19 45.43 1x5h s LEU 80 CO -0.01 -0.16 0.66 -0.63 -1.32 0.00 0.00 176.35 174.88 1x5h s ILE 81 N 1.26 5.04 0.49 6.68 -1.09 -0.92 -4.92 121.20 127.74 1x5h s ILE 81 Ca -0.05 -1.36 0.03 0.00 -2.23 0.00 0.00 60.65 57.04 1x5h s ILE 81 Cb -0.18 -4.45 0.02 0.00 -1.58 0.00 0.00 42.46 36.27 1x5h s ILE 81 CO -0.07 -1.04 0.70 -1.61 -1.23 0.00 0.00 174.94 171.68 1x5h s GLU 82 N 2.02 2.72 0.00 2.79 2.02 -1.26 -1.61 118.70 125.38 1x5h s GLU 82 Ca 0.10 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1x5h s GLU 82 Cb -0.24 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1x5h s GLU 82 CO 0.03 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1x5h n GLY 83 N -2.15 0.92 3.76 -1.39 0.00 0.60 -4.93 105.19 101.99 1x5h n GLY 83 Ca 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.77 3.01 0.17 0.99 1.43 -0.58 -5.04 118.68 117.89 1x5h s LEU 84 Ca 0.00 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.00 1x5h s LEU 84 Cb 0.00 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1x5h s LEU 84 CO 0.00 -0.62 0.20 -1.81 0.23 0.00 0.00 176.35 174.35 1x5h s ASP 85 N -3.94 5.85 0.60 2.29 1.01 -1.26 -4.19 116.67 117.03 1x5h s ASP 85 Ca 0.38 -0.03 -0.10 0.00 0.71 0.00 0.00 52.55 53.51 1x5h s ASP 85 Cb 0.03 -1.62 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 1x5h s ASP 85 CO 0.21 0.05 1.00 0.00 0.21 0.00 0.00 175.17 176.63 1x5h s ARG 86 N -3.26 3.58 -1.41 8.23 1.70 -1.25 -4.15 118.95 122.39 1x5h s ARG 86 Ca 0.32 0.67 -0.08 0.00 -0.47 0.00 0.00 55.73 56.18 1x5h s ARG 86 Cb -0.10 -2.12 0.01 0.00 -0.57 0.00 0.00 34.95 32.17 1x5h s ARG 86 CO 0.26 -0.53 0.32 0.41 -1.08 0.00 0.00 175.30 174.67 1x5h n GLY 87 N -2.69 -0.35 2.98 3.88 0.00 -1.25 -4.94 105.19 102.82 1x5h n GLY 87 Ca 0.05 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.03 -0.37 0.43 2.61 2.01 -1.26 -4.96 115.64 110.08 1x5h s THR 88 Ca 0.12 0.28 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 1x5h s THR 88 Cb -0.06 -0.41 -0.08 0.00 0.01 0.00 0.00 72.50 71.95 1x5h s THR 88 CO 0.95 0.12 1.31 -0.70 -0.69 0.00 0.00 174.62 175.60 1x5h s GLU 89 N 2.32 3.84 -0.05 4.92 2.12 -1.26 -3.57 118.70 127.01 1x5h s GLU 89 Ca 0.01 2.15 -0.03 0.00 0.36 0.00 0.00 54.97 57.46 1x5h s GLU 89 Cb -0.12 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.63 1x5h s GLU 89 CO -0.08 -0.60 0.12 0.71 -0.54 0.00 0.00 175.26 174.87 1x5h s TYR 90 N -1.29 -0.13 -0.18 5.30 2.02 0.93 -3.25 117.35 120.75 1x5h s TYR 90 Ca 0.59 0.36 -0.12 0.00 -0.37 0.00 0.00 57.07 57.53 1x5h s TYR 90 Cb -0.38 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.10 1x5h s TYR 90 CO 0.48 -0.11 0.22 -0.80 -1.57 0.00 0.00 175.55 173.78 1x5h s ASN 91 N 0.61 6.32 0.14 2.29 0.02 -0.25 0.10 114.94 124.17 1x5h s ASN 91 Ca -0.05 0.37 0.09 0.00 -1.02 0.00 0.00 52.86 52.25 1x5h s ASN 91 Cb -0.06 -2.14 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 1x5h s ASN 91 CO -0.03 0.12 -0.20 -0.36 0.02 0.00 0.00 177.10 176.65 1x5h s PHE 92 N 0.50 1.89 -0.19 2.20 0.40 -0.48 -0.61 117.98 121.69 1x5h s PHE 92 Ca 0.13 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1x5h s PHE 92 Cb -0.12 -0.98 0.06 0.00 0.51 0.00 0.00 43.02 42.48 1x5h s PHE 92 CO 0.02 0.30 0.48 -0.98 0.70 0.00 0.00 175.22 175.74 1x5h s ARG 93 N -2.40 0.51 -0.08 0.44 1.70 0.94 -2.53 118.95 117.53 1x5h s ARG 93 Ca 0.13 0.79 -0.03 0.00 -0.47 0.00 0.00 55.73 56.15 1x5h s ARG 93 Cb -0.08 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 1x5h s ARG 93 CO 0.06 -0.12 0.07 0.08 -1.08 0.00 0.00 175.30 174.32 1x5h s VAL 94 N 0.91 4.86 0.01 4.99 1.01 -1.26 -1.04 120.40 129.88 1x5h s VAL 94 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1x5h s VAL 94 Cb -0.06 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1x5h s VAL 94 CO -0.08 0.55 -0.00 0.00 0.00 0.00 0.00 175.10 175.57 1x5h s ALA 95 N -1.01 0.04 0.11 5.51 0.00 0.02 -1.32 121.76 125.11 1x5h s ALA 95 Ca 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1x5h s ALA 95 Cb -0.12 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1x5h s ALA 95 CO 0.06 -0.13 0.31 0.00 0.00 0.00 0.00 175.76 176.00 1x5h s ALA 96 N -1.12 3.88 0.01 0.00 0.00 -1.22 0.10 121.76 123.42 1x5h s ALA 96 Ca -0.12 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1x5h s ALA 96 Cb -0.08 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1x5h s ALA 96 CO -0.01 0.72 -0.14 -0.51 0.00 0.00 0.00 175.76 175.83 1x5h s LEU 97 N -2.64 2.10 0.29 0.00 1.43 0.25 0.02 118.68 120.13 1x5h s LEU 97 Ca 0.38 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1x5h s LEU 97 Cb -0.12 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1x5h s LEU 97 CO 0.26 0.10 0.25 0.42 0.23 0.00 0.00 176.35 177.60 1x5h s THR 98 N -0.58 0.00 0.38 5.49 -4.23 -0.96 -1.12 115.64 114.63 1x5h s THR 98 Ca 0.03 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1x5h s THR 98 Cb -0.06 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.60 1x5h s THR 98 CO 0.00 0.00 1.91 -0.29 -0.54 0.00 0.00 174.62 175.70 1x5h h ILE 99 N 2.29 0.87 0.00 2.99 6.09 -1.97 0.21 117.51 127.99 1x5h h ILE 99 Ca -0.29 -0.21 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1x5h h ILE 99 Cb 1.24 0.20 -0.00 0.00 0.47 0.00 0.00 36.82 38.73 1x5h h ILE 99 CO 0.42 0.11 -0.00 0.78 -3.07 0.00 0.00 178.15 176.39 1x5h h ASN 100 N 0.61 0.00 0.00 2.19 4.21 -1.94 -3.48 115.58 117.17 1x5h h ASN 100 Ca 0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.90 1x5h h ASN 100 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1x5h h ASN 100 CO -0.15 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.60 1x5h n GLY 101 N -1.07 0.71 3.76 2.83 0.00 0.75 -4.56 105.19 107.60 1x5h n GLY 101 Ca -0.03 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 3.22 0.26 2.61 -4.23 -1.26 -2.26 115.64 113.98 1x5h s THR 102 Ca 0.00 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1x5h s THR 102 Cb 0.00 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1x5h s THR 102 CO 0.00 -0.20 0.01 0.61 -0.54 0.00 0.00 174.62 174.50 1x5h n GLY 103 N -1.18 3.82 3.68 3.99 0.00 0.10 -4.04 105.19 111.56 1x5h n GLY 103 Ca -0.03 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.94 0.43 0.07 1.61 0.04 -1.26 -4.66 135.00 128.29 1x5h s PRO 104 Ca 0.01 0.52 0.07 0.00 0.04 0.00 0.00 61.00 61.64 1x5h s PRO 104 Cb -0.00 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1x5h s PRO 104 CO 0.01 -2.73 -0.18 0.00 0.04 0.00 0.00 177.00 174.13 1x5h s ALA 105 N -2.96 1.55 0.70 8.56 0.00 -1.26 -3.38 121.76 124.95 1x5h s ALA 105 Ca 0.65 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1x5h s ALA 105 Cb -0.19 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1x5h s ALA 105 CO 0.58 0.31 1.06 0.95 0.00 0.00 0.00 175.76 178.66 1x5h s THR 106 N -1.02 3.98 1.10 0.00 -4.23 -0.44 -4.97 115.64 110.07 1x5h s THR 106 Ca 0.04 0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 61.00 1x5h s THR 106 Cb -0.09 -3.47 0.08 0.00 1.34 0.00 0.00 72.50 70.35 1x5h s THR 106 CO 0.03 -0.84 -0.09 -0.67 -0.54 0.00 0.00 174.62 172.50 1x5h n ASP 107 N -3.08 -2.43 -4.47 3.99 2.03 -1.26 -4.63 116.55 106.70 1x5h n ASP 107 Ca 0.07 -0.08 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 1x5h n ASP 107 Cb 0.54 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 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 -2.23 2.78 -0.30 -0.67 0.23 -1.26 -4.58 118.94 112.92 1x5h s TRP 108 Ca 0.54 -0.84 -0.23 0.00 -2.03 0.00 0.00 56.10 53.54 1x5h s TRP 108 Cb -0.11 -4.36 -0.00 0.00 0.03 0.00 0.00 33.47 29.03 1x5h s TRP 108 CO 0.66 -1.66 0.78 -1.17 0.96 0.00 0.00 176.95 176.52 1x5h s LEU 109 N 3.80 4.09 -0.02 2.99 2.96 -1.05 -4.88 118.68 126.57 1x5h s LEU 109 Ca 0.29 0.69 -0.21 0.00 -0.22 0.00 0.00 54.13 54.67 1x5h s LEU 109 Cb -0.10 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 1x5h s LEU 109 CO 0.01 -0.59 0.62 -0.94 -1.32 0.00 0.00 176.35 174.14 1x5h s SER 110 N 1.59 6.98 -0.04 3.68 1.04 -1.26 -1.39 113.70 124.30 1x5h s SER 110 Ca 0.32 1.17 0.02 0.00 0.48 0.00 0.00 55.95 57.94 1x5h s SER 110 Cb -0.14 -2.38 0.02 0.00 0.10 0.00 0.00 66.02 63.62 1x5h s SER 110 CO 0.12 0.04 -0.07 0.00 0.98 0.00 0.00 173.24 174.32 1x5h s ALA 111 N 0.07 0.80 -0.30 5.32 0.00 0.11 -4.90 121.76 122.87 1x5h s ALA 111 Ca 0.33 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 1x5h s ALA 111 Cb -0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1x5h s ALA 111 CO 0.17 0.04 0.13 -2.00 0.00 0.00 0.00 175.76 174.11 1x5h s GLU 112 N 0.73 3.41 1.14 0.00 2.12 -1.26 -0.05 118.70 124.79 1x5h s GLU 112 Ca -0.11 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.43 1x5h s GLU 112 Cb -0.14 -3.50 0.27 0.00 0.26 0.00 0.00 34.13 31.02 1x5h s GLU 112 CO 0.01 -0.36 1.00 0.25 -0.54 0.00 0.00 175.26 175.62 1x5h n THR 113 N 4.96 0.00 -2.65 -1.70 -2.24 -1.23 -4.92 114.28 106.50 1x5h n THR 113 Ca -0.14 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 60.83 1x5h n THR 113 Cb 0.50 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 1x5h n THR 113 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x5h s PHE 114 N -2.43 3.35 0.55 4.78 0.08 -1.26 -3.88 117.98 119.16 1x5h s PHE 114 Ca 0.68 1.47 0.45 0.00 0.12 0.00 0.00 56.93 59.65 1x5h s PHE 114 Cb -0.25 -3.27 1.67 0.00 -0.57 0.00 0.00 43.02 40.60 1x5h s PHE 114 CO 0.64 -0.50 1.64 0.93 -0.10 0.00 0.00 175.22 177.84 1x5h h GLU 115 N 7.41 0.01 -3.97 0.44 5.08 -1.92 -3.36 114.58 118.26 1x5h h GLU 115 Ca -0.22 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.95 1x5h h GLU 115 Cb 1.08 -0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.11 1x5h h GLU 115 CO 0.95 0.01 -0.70 0.45 -1.00 0.00 0.00 179.01 178.71 1x5h s SER 116 N -4.29 0.24 -1.05 1.42 0.15 -1.26 -4.60 113.70 104.30 1x5h s SER 116 Ca -0.05 -0.44 -0.23 0.00 0.70 0.00 0.00 55.95 55.92 1x5h s SER 116 Cb 0.26 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.59 1x5h s SER 116 CO 0.87 -0.26 1.92 -1.81 1.20 0.00 0.00 173.24 175.16 1x5h s ASP 117 N -1.28 5.17 -0.33 5.45 1.11 -1.26 -4.86 116.67 120.67 1x5h s ASP 117 Ca -0.14 -1.22 -0.06 0.00 0.18 0.00 0.00 52.55 51.32 1x5h s ASP 117 Cb -0.09 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.37 1x5h s ASP 117 CO -0.01 -2.83 0.08 -0.22 1.18 0.00 0.00 175.17 173.37 1x5h s LEU 118 N 10.23 4.18 -0.49 1.23 1.98 -1.26 -5.05 118.68 129.50 1x5h s LEU 118 Ca 0.68 -1.12 -0.27 0.00 -2.89 0.00 0.00 54.13 50.53 1x5h s LEU 118 Cb -0.03 -1.84 -0.04 0.00 0.66 0.00 0.00 46.19 44.94 1x5h s LEU 118 CO 0.06 -0.30 2.10 1.51 -1.89 0.00 0.00 176.35 177.83 1x5h s ASP 119 N 1.38 5.03 0.12 3.68 -4.77 -1.26 -4.95 116.67 115.90 1x5h s ASP 119 Ca -0.02 0.89 -0.24 0.00 -3.30 0.00 0.00 52.55 49.88 1x5h s ASP 119 Cb -0.19 -2.52 -0.07 0.00 -1.09 0.00 0.00 42.92 39.05 1x5h s ASP 119 CO 0.02 -2.46 0.73 -0.70 0.70 0.00 0.00 175.17 173.46 1x5h s GLU 120 N 7.29 4.48 -0.10 2.11 2.56 -1.26 -5.07 118.70 128.71 1x5h s GLU 120 Ca 0.84 1.05 -0.04 0.00 0.00 0.00 0.00 54.97 56.82 1x5h s GLU 120 Cb -0.17 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.64 1x5h s GLU 120 CO 0.26 0.51 0.05 0.99 -0.56 0.00 0.00 175.26 176.51 1x5h s THR 121 N -0.87 4.74 0.31 -1.70 2.01 -1.26 -5.11 115.64 113.76 1x5h s THR 121 Ca 0.35 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1x5h s THR 121 Cb -0.22 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1x5h s THR 121 CO 0.24 0.60 0.13 0.00 -0.69 0.00 0.00 174.62 174.90 1x5h s ARG 122 N -0.83 1.60 -0.06 4.92 1.04 -1.26 -5.16 118.95 119.20 1x5h s ARG 122 Ca 0.13 -1.91 0.04 0.00 -1.04 0.00 0.00 55.73 52.95 1x5h s ARG 122 Cb -0.12 -0.27 -0.02 0.00 -2.04 0.00 0.00 34.95 32.51 1x5h s ARG 122 CO 0.03 -0.40 -0.17 0.14 -0.04 0.00 0.00 175.30 174.87 1x5h s VAL 123 N -3.56 2.83 0.93 4.99 -7.23 -1.26 -5.13 120.40 111.97 1x5h s VAL 123 Ca 0.35 -0.79 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 1x5h s VAL 123 Cb 0.06 -2.11 0.23 0.00 0.56 0.00 0.00 36.38 35.12 1x5h s VAL 123 CO 0.16 0.58 0.83 -0.81 -0.31 0.00 0.00 175.10 175.54 1x5h n PRO 124 N 2.61 -2.64 -3.72 4.82 -0.04 -1.26 -5.08 135.00 129.69 1x5h n PRO 124 Ca -0.17 -1.32 -0.16 0.00 -0.04 0.00 0.00 63.50 61.80 1x5h n PRO 124 Cb 0.52 -1.24 -0.16 0.00 -0.04 0.00 0.00 33.50 32.58 1x5h n PRO 124 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1x5h s GLU 125 N -4.88 0.01 -0.16 0.54 2.56 -1.26 -5.14 118.70 110.37 1x5h s GLU 125 Ca 0.54 0.36 -0.14 0.00 0.00 0.00 0.00 54.97 55.72 1x5h s GLU 125 Cb -0.05 -0.29 -0.05 0.00 2.00 0.00 0.00 34.13 35.75 1x5h s GLU 125 CO 0.41 -0.23 0.32 0.54 -0.56 0.00 0.00 175.26 175.74 1x5h s VAL 126 N 1.58 5.28 0.53 3.70 0.11 -1.26 -5.09 120.40 125.25 1x5h s VAL 126 Ca -0.04 0.60 0.07 0.00 -2.93 0.00 0.00 61.98 59.68 1x5h s VAL 126 Cb -0.12 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1x5h s VAL 126 CO -0.04 0.36 0.46 -0.94 -3.33 0.00 0.00 175.10 171.61 1x5h s SER 127 N 0.57 4.77 0.16 3.54 1.04 -1.26 -5.15 113.70 117.37 1x5h s SER 127 Ca 0.17 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.53 1x5h s SER 127 Cb -0.13 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 1x5h s SER 127 CO 0.05 -1.06 -0.02 -0.83 0.98 0.00 0.00 173.24 172.36 1x5h s GLY 128 N -4.31 1.15 0.83 7.32 0.00 -1.26 -5.16 107.32 105.89 1x5h s GLY 128 Ca 0.41 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 1x5h s GLY 128 CO 0.25 -1.52 1.09 2.56 0.00 0.00 0.00 173.10 175.48 1x5h s PRO 129 N -3.89 1.77 -0.11 2.90 0.04 -1.26 -5.03 135.00 129.43 1x5h s PRO 129 Ca 0.22 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.17 1x5h s PRO 129 Cb 0.06 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1x5h s PRO 129 CO 0.02 -1.94 -0.20 -1.13 0.04 0.00 0.00 177.00 173.80 1x5h n SER 130 N -3.70 1.38 -3.40 6.66 3.41 -1.26 -5.03 113.62 111.68 1x5h n SER 130 Ca 0.08 0.23 -0.32 0.00 -0.26 0.00 0.00 58.87 58.59 1x5h n SER 130 Cb 0.54 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1x5h n SER 130 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5h n SER 131 N -3.90 -2.57 0.00 4.04 2.88 -1.26 -5.39 113.62 107.42 1x5h n SER 131 Ca -0.19 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1x5h n SER 131 Cb 0.49 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42