#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h n SER 2 N 0.00 1.81 -4.70 1.61 7.64 -1.26 -5.06 113.62 113.66 1x5h n SER 2 Ca 0.00 0.31 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 1x5h n SER 2 Cb 0.00 -0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 62.38 1x5h n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5h s SER 3 N -6.69 4.03 -0.05 6.43 0.01 -1.26 -5.16 113.70 111.01 1x5h s SER 3 Ca -0.31 -1.53 -0.31 0.00 1.31 0.00 0.00 55.95 55.10 1x5h s SER 3 Cb 0.09 0.12 0.13 0.00 0.21 0.00 0.00 66.02 66.58 1x5h s SER 3 CO 0.42 -0.68 1.36 -0.83 0.41 0.00 0.00 173.24 173.92 1x5h s GLY 4 N -3.81 -0.42 -0.30 3.44 0.00 -1.26 -5.17 107.32 99.81 1x5h s GLY 4 Ca 0.18 0.72 -0.14 0.00 0.00 0.00 0.00 44.72 45.48 1x5h s GLY 4 CO 0.10 0.96 0.88 -0.45 0.00 0.00 0.00 173.10 174.59 1x5h s SER 5 N -3.11 -0.72 0.11 1.64 0.15 -1.26 -5.18 113.70 105.34 1x5h s SER 5 Ca 0.17 1.04 -0.26 0.00 0.70 0.00 0.00 55.95 57.60 1x5h s SER 5 Cb 0.05 1.65 0.08 0.00 -1.71 0.00 0.00 66.02 66.10 1x5h s SER 5 CO -0.05 -0.15 1.07 -0.55 1.20 0.00 0.00 173.24 174.76 1x5h s SER 6 N 2.18 -0.11 0.00 5.45 0.15 -1.26 -5.14 113.70 114.97 1x5h s SER 6 Ca -0.06 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1x5h s SER 6 Cb -0.07 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1x5h s SER 6 CO -0.17 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1x5h n GLY 7 N -0.53 0.77 2.18 9.45 0.00 -1.26 -5.02 105.19 110.78 1x5h n GLY 7 Ca -0.06 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1x5h n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5h n ASP 8 N 0.00 5.26 -3.47 1.61 9.92 -1.26 -4.94 116.55 123.67 1x5h n ASP 8 Ca 0.00 -3.75 -0.26 0.00 -0.53 0.00 0.00 54.79 50.25 1x5h n ASP 8 Cb 0.00 -0.46 -0.05 0.00 -0.64 0.00 0.00 41.12 39.97 1x5h n ASP 8 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1x5h n VAL 9 N -0.68 -0.13 -3.74 2.53 3.14 -1.26 -4.84 118.33 113.35 1x5h n VAL 9 Ca 0.45 -0.07 -0.38 0.00 -2.96 0.00 0.00 64.34 61.39 1x5h n VAL 9 Cb 0.84 -0.38 -0.12 0.00 -1.06 0.00 0.00 33.84 33.12 1x5h n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x5h s ALA 10 N -2.72 3.07 -0.03 1.55 0.00 -1.26 -5.07 121.76 117.29 1x5h s ALA 10 Ca 0.42 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1x5h s ALA 10 Cb -0.25 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1x5h s ALA 10 CO 0.65 -1.15 0.09 0.54 0.00 0.00 0.00 175.76 175.88 1x5h s VAL 11 N 1.46 0.00 -0.14 0.00 0.11 -1.26 -5.15 120.40 115.43 1x5h s VAL 11 Ca 0.01 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1x5h s VAL 11 Cb -0.18 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1x5h s VAL 11 CO 0.03 -0.02 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.49 1x5h s ARG 12 N -0.01 2.47 -0.00 1.54 0.52 -1.26 -5.12 118.95 117.08 1x5h s ARG 12 Ca -0.01 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 1x5h s ARG 12 Cb -0.01 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.27 1x5h s ARG 12 CO 0.00 -0.14 0.34 0.99 0.02 0.00 0.00 175.30 176.51 1x5h s THR 13 N 1.20 5.16 -0.45 0.02 2.01 -1.26 -5.06 115.64 117.25 1x5h s THR 13 Ca -0.01 0.57 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 1x5h s THR 13 Cb -0.14 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 68.85 1x5h s THR 13 CO -0.07 0.50 0.30 -0.76 -0.69 0.00 0.00 174.62 173.90 1x5h s LEU 14 N -1.32 5.47 0.21 4.42 1.43 -1.26 -4.99 118.68 122.64 1x5h s LEU 14 Ca 0.25 -1.81 -0.21 0.00 -1.03 0.00 0.00 54.13 51.32 1x5h s LEU 14 Cb -0.15 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1x5h s LEU 14 CO 0.13 -0.63 0.64 -0.44 0.23 0.00 0.00 176.35 176.28 1x5h s SER 15 N 2.40 -0.40 0.01 2.29 0.01 -1.26 -5.09 113.70 111.67 1x5h s SER 15 Ca 0.05 -0.32 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 1x5h s SER 15 Cb -0.25 0.65 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 1x5h s SER 15 CO -0.00 -1.14 1.08 0.44 0.41 0.00 0.00 173.24 174.03 1x5h h ASP 16 N 2.03 -0.34 -2.48 2.44 3.32 -1.98 -3.45 116.42 115.96 1x5h h ASP 16 Ca -0.27 0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.22 1x5h h ASP 16 Cb 1.28 0.09 0.20 0.00 0.22 0.00 0.00 39.33 41.11 1x5h h ASP 16 CO 0.32 -0.23 -1.05 1.33 -1.72 0.00 0.00 179.24 177.89 1x5h n VAL 17 N -3.15 0.64 -2.26 -1.35 0.24 -1.26 -4.83 118.33 106.36 1x5h n VAL 17 Ca -0.05 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.41 1x5h n VAL 17 Cb 0.16 -0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.96 4.13 -0.33 7.34 0.04 -1.26 -4.95 135.00 138.01 1x5h s PRO 18 Ca 0.56 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.61 1x5h s PRO 18 Cb -0.36 -2.77 0.46 0.00 0.04 0.00 0.00 34.50 31.87 1x5h s PRO 18 CO 0.67 -0.28 1.14 0.45 0.04 0.00 0.00 177.00 179.03 1x5h n SER 19 N 0.26 4.19 -3.51 6.66 2.88 -1.26 -4.05 113.62 118.78 1x5h n SER 19 Ca 0.03 -3.44 -0.13 0.00 -1.33 0.00 0.00 58.87 54.01 1x5h n SER 19 Cb 0.45 -0.40 -0.11 0.00 -0.75 0.00 0.00 64.21 63.40 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 -3.58 -0.75 0.54 -1.46 0.00 -1.26 -5.00 121.76 110.25 1x5h s ALA 20 Ca 0.45 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1x5h s ALA 20 Cb 0.40 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1x5h s ALA 20 CO -0.03 -1.01 0.84 0.00 0.00 0.00 0.00 175.76 175.55 1x5h s ALA 21 N 2.47 3.38 0.31 0.00 0.00 -1.26 -4.70 121.76 121.95 1x5h s ALA 21 Ca 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 1x5h s ALA 21 Cb -0.14 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 1x5h s ALA 21 CO -0.12 -0.59 1.23 -1.25 0.00 0.00 0.00 175.76 175.02 1x5h s PRO 22 N -4.86 4.47 0.36 0.00 0.04 -1.26 -4.34 135.00 129.41 1x5h s PRO 22 Ca 0.51 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1x5h s PRO 22 Cb -0.10 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.37 1x5h s PRO 22 CO 0.45 -0.03 0.40 1.04 0.04 0.00 0.00 177.00 178.89 1x5h n GLN 23 N 0.95 0.85 -3.41 4.56 6.02 -0.62 -4.62 117.38 121.11 1x5h n GLN 23 Ca -0.00 -2.05 -0.24 0.00 -0.01 0.00 0.00 57.00 54.69 1x5h n GLN 23 Cb 0.43 0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.71 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 -2.28 -4.18 -4.74 1.08 3.02 -1.26 -1.20 115.26 105.69 1x5h n ASN 24 Ca 0.05 -0.44 -0.35 0.00 -0.03 0.00 0.00 54.58 53.81 1x5h n ASN 24 Cb 0.38 -3.43 0.07 0.00 -0.61 0.00 0.00 39.78 36.19 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 -6.64 3.46 -0.04 3.41 2.96 -1.26 -4.35 118.68 116.22 1x5h s LEU 25 Ca 0.43 2.34 -0.29 0.00 -0.22 0.00 0.00 54.13 56.40 1x5h s LEU 25 Cb -0.22 -4.59 0.10 0.00 0.50 0.00 0.00 46.19 41.98 1x5h s LEU 25 CO 0.53 -1.95 0.84 -0.94 -1.32 0.00 0.00 176.35 173.52 1x5h s SER 26 N -1.90 -0.45 -0.33 3.68 1.04 0.14 -4.97 113.70 110.90 1x5h s SER 26 Ca 0.75 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.45 1x5h s SER 26 Cb -0.29 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.35 1x5h s SER 26 CO 0.40 -0.58 0.09 -0.76 0.98 0.00 0.00 173.24 173.37 1x5h s LEU 27 N -1.86 3.28 -1.05 2.42 1.43 -1.26 -0.37 118.68 121.27 1x5h s LEU 27 Ca -0.01 -1.92 -0.21 0.00 -1.03 0.00 0.00 54.13 50.97 1x5h s LEU 27 Cb -0.01 -1.18 0.08 0.00 0.03 0.00 0.00 46.19 45.11 1x5h s LEU 27 CO -0.03 -0.39 1.41 -0.70 0.23 0.00 0.00 176.35 176.88 1x5h s GLU 28 N 1.24 3.67 -0.80 1.70 2.12 0.13 -4.87 118.70 121.88 1x5h s GLU 28 Ca 0.11 -1.46 -0.25 0.00 0.36 0.00 0.00 54.97 53.73 1x5h s GLU 28 Cb -0.18 -5.27 -0.15 0.00 0.26 0.00 0.00 34.13 28.79 1x5h s GLU 28 CO -0.17 -2.09 2.41 0.28 -0.54 0.00 0.00 175.26 175.14 1x5h n VAL 29 N 6.39 -0.00 0.25 3.70 0.31 -1.26 -1.45 118.33 126.26 1x5h n VAL 29 Ca 0.33 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 64.01 1x5h n VAL 29 Cb 0.49 -1.89 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 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 12.62 -0.56 0.00 5.55 2.47 -1.90 -3.47 114.38 129.09 1x5h h ARG 30 Ca 0.00 0.04 -0.41 0.00 -1.26 0.00 0.00 59.98 58.35 1x5h h ARG 30 Cb 1.01 0.13 -0.09 0.00 -1.65 0.00 0.00 29.97 29.36 1x5h h ARG 30 CO 1.03 -0.33 -0.35 0.09 0.56 0.00 0.00 179.97 180.97 1x5h n ASN 31 N -5.31 0.76 0.14 7.04 3.02 -0.69 -4.99 115.26 115.24 1x5h n ASN 31 Ca -0.11 -2.65 0.01 0.00 -0.03 0.00 0.00 54.58 51.79 1x5h n ASN 31 Cb 0.26 0.90 0.17 0.00 -0.61 0.00 0.00 39.78 40.50 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 1.31 0.00 -0.01 6.41 4.64 -1.90 -3.17 113.55 120.84 1x5h h SER 32 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 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 0.35 0.58 -0.40 2.29 -0.87 0.00 0.00 176.83 178.78 1x5h n LYS 33 N -3.56 1.90 -4.72 4.77 2.85 -1.26 -3.79 118.16 114.35 1x5h n LYS 33 Ca -0.00 -0.57 -0.26 0.00 -1.05 0.00 0.00 58.31 56.42 1x5h n LYS 33 Cb 0.64 -1.22 -0.14 0.00 -0.65 0.00 0.00 35.03 33.66 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x5h s SER 34 N -1.93 2.45 -0.11 -5.58 0.01 -1.20 0.11 113.70 107.45 1x5h s SER 34 Ca 0.11 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 1x5h s SER 34 Cb 0.12 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.18 1x5h s SER 34 CO 0.43 0.18 0.16 -0.63 0.41 0.00 0.00 173.24 173.79 1x5h s ILE 35 N -0.73 -0.26 0.12 1.44 1.01 -0.63 -1.70 121.20 120.45 1x5h s ILE 35 Ca 0.07 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.69 1x5h s ILE 35 Cb -0.09 -0.38 -0.07 0.00 0.01 0.00 0.00 42.46 41.94 1x5h s ILE 35 CO 0.01 0.06 0.84 -0.32 0.00 0.00 0.00 174.94 175.53 1x5h s MET 36 N 2.29 4.62 -0.29 2.79 -2.45 -0.53 -1.43 119.30 124.30 1x5h s MET 36 Ca 0.04 1.25 -0.05 0.00 -1.25 0.00 0.00 55.69 55.68 1x5h s MET 36 Cb -0.13 -3.33 0.02 0.00 1.25 0.00 0.00 34.83 32.65 1x5h s MET 36 CO -0.07 0.37 0.03 0.42 1.05 0.00 0.00 175.02 176.83 1x5h s ILE 37 N -0.48 3.51 -0.24 10.11 1.01 0.92 0.17 121.20 136.21 1x5h s ILE 37 Ca 0.40 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1x5h s ILE 37 Cb -0.23 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1x5h s ILE 37 CO 0.27 0.05 0.01 -1.00 0.00 0.00 0.00 174.94 174.27 1x5h s HIS 38 N 1.41 3.03 0.11 3.97 3.76 0.49 -2.44 115.29 125.62 1x5h s HIS 38 Ca 0.00 -0.75 0.03 0.00 -0.15 0.00 0.00 55.06 54.19 1x5h s HIS 38 Cb -0.18 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1x5h s HIS 38 CO 0.00 -0.48 -0.08 1.67 -0.85 0.00 0.00 174.74 175.00 1x5h s TRP 39 N 1.53 1.02 0.07 1.40 -2.14 -1.17 0.25 118.94 119.91 1x5h s TRP 39 Ca 0.06 -0.82 0.07 0.00 2.66 0.00 0.00 56.10 58.07 1x5h s TRP 39 Cb -0.15 -0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 29.63 1x5h s TRP 39 CO -0.00 -0.06 -0.15 -0.65 -2.66 0.00 0.00 176.95 173.43 1x5h s GLN 40 N -3.59 2.06 0.38 3.25 1.11 -0.34 -4.80 119.66 117.72 1x5h s GLN 40 Ca 0.12 -1.02 -0.26 0.00 0.01 0.00 0.00 55.36 54.21 1x5h s GLN 40 Cb 0.03 -2.23 -0.09 0.00 -1.01 0.00 0.00 33.01 29.71 1x5h s GLN 40 CO -0.02 0.52 1.20 -1.25 0.01 0.00 0.00 175.29 175.75 1x5h s PRO 41 N -1.81 4.14 1.04 2.91 0.04 -1.26 -1.59 135.00 138.47 1x5h s PRO 41 Ca 0.17 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 1x5h s PRO 41 Cb -0.11 -2.78 0.21 0.00 0.04 0.00 0.00 34.50 31.86 1x5h s PRO 41 CO 0.09 -0.27 1.10 -1.25 0.04 0.00 0.00 177.00 176.70 1x5h s PRO 42 N -2.15 0.09 0.74 0.56 0.04 -1.26 -4.61 135.00 128.41 1x5h s PRO 42 Ca 0.55 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1x5h s PRO 42 Cb -0.33 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x5h s PRO 42 CO 0.42 -2.94 0.82 0.00 0.04 0.00 0.00 177.00 175.35 1x5h n ALA 43 N -4.30 -0.75 -0.02 8.56 0.00 -1.26 -4.92 120.51 117.83 1x5h n ALA 43 Ca 0.06 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1x5h n ALA 43 Cb 0.58 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.44 0.06 -0.74 0.00 0.13 -1.93 -3.11 132.00 125.97 1x5h h PRO 44 Ca -0.46 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 64.80 1x5h h PRO 44 Cb 1.33 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.34 1x5h h PRO 44 CO 0.45 0.53 0.05 0.00 -0.23 0.00 0.00 178.00 178.80 1x5h h ALA 45 N 0.53 0.83 -0.36 -0.56 0.00 -2.02 -0.01 119.26 117.67 1x5h h ALA 45 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1x5h h ALA 45 Cb 0.52 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1x5h h ALA 45 CO 0.01 -0.41 0.21 1.79 0.00 0.00 0.00 179.25 180.84 1x5h h THR 46 N 0.14 1.03 -1.58 0.00 1.35 -1.94 -3.39 112.91 108.52 1x5h h THR 46 Ca 0.41 -0.14 -0.46 0.00 -0.55 0.00 0.00 66.41 65.67 1x5h h THR 46 Cb 0.73 0.57 0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1x5h h THR 46 CO -0.62 0.08 1.63 0.00 -0.25 0.00 0.00 175.52 176.35 1x5h n GLN 47 N -4.89 1.02 0.13 4.72 6.02 -0.02 -4.64 117.38 119.72 1x5h n GLN 47 Ca 0.00 -0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.10 1x5h n GLN 47 Cb 0.06 -3.43 0.46 0.00 1.02 0.00 0.00 30.24 28.34 1x5h n GLN 47 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1x5h h ASN 48 N 19.55 0.00 0.00 1.08 7.08 -1.80 -3.47 115.58 138.02 1x5h h ASN 48 Ca -0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.98 1x5h h ASN 48 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 1x5h h ASN 48 CO 1.16 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 177.12 1x5h n GLY 49 N 0.57 5.08 3.61 9.14 0.00 -1.26 -5.13 105.19 117.20 1x5h n GLY 49 Ca 0.03 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1x5h n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5h s GLN 50 N 1.91 2.54 -0.09 1.61 2.00 -1.26 -5.08 119.66 121.29 1x5h s GLN 50 Ca 0.00 -0.75 -0.19 0.00 -2.00 0.00 0.00 55.36 52.43 1x5h s GLN 50 Cb 0.00 -2.51 -0.04 0.00 0.80 0.00 0.00 33.01 31.26 1x5h s GLN 50 CO 0.00 0.59 0.50 0.42 -0.50 0.00 0.00 175.29 176.30 1x5h s ILE 51 N -1.06 5.12 -0.25 -2.34 1.01 -1.26 -3.74 121.20 118.68 1x5h s ILE 51 Ca 0.19 1.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.77 1x5h s ILE 51 Cb -0.11 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 1x5h s ILE 51 CO 0.09 0.36 -0.30 0.35 0.00 0.00 0.00 174.94 175.44 1x5h n THR 52 N 3.38 1.41 -3.95 2.92 -2.24 -0.11 -4.73 114.28 110.96 1x5h n THR 52 Ca -0.07 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.21 1x5h n THR 52 Cb 0.52 -1.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.00 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 -5.73 0.35 -0.12 3.38 0.00 -1.22 0.11 107.32 104.08 1x5h s GLY 53 Ca -0.35 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1x5h s GLY 53 CO 0.48 -0.48 -0.21 -0.19 0.00 0.00 0.00 173.10 172.71 1x5h s TYR 54 N -3.98 2.65 -0.60 1.90 1.51 -1.19 0.74 117.35 118.38 1x5h s TYR 54 Ca 0.19 -1.10 -0.20 0.00 -1.01 0.00 0.00 57.07 54.94 1x5h s TYR 54 Cb -0.02 -1.78 0.08 0.00 -0.11 0.00 0.00 41.96 40.13 1x5h s TYR 54 CO 0.08 -0.47 0.79 0.21 -1.11 0.00 0.00 175.55 175.05 1x5h s LYS 55 N 0.57 3.10 -0.34 -0.62 2.20 0.13 -2.39 119.74 122.38 1x5h s LYS 55 Ca -0.12 -1.02 -0.13 0.00 -0.36 0.00 0.00 55.97 54.33 1x5h s LYS 55 Cb -0.17 -4.21 -0.02 0.00 -1.51 0.00 0.00 37.83 31.93 1x5h s LYS 55 CO 0.04 -1.57 0.25 0.42 -0.36 0.00 0.00 175.35 174.13 1x5h s ILE 56 N 3.19 5.28 0.02 5.43 1.01 0.24 -1.94 121.20 134.43 1x5h s ILE 56 Ca 0.17 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1x5h s ILE 56 Cb -0.20 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1x5h s ILE 56 CO 0.09 -0.02 -0.16 -0.13 0.00 0.00 0.00 174.94 174.72 1x5h s ARG 57 N 1.74 2.22 0.03 2.79 0.52 -0.29 -1.88 118.95 124.09 1x5h s ARG 57 Ca 0.06 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1x5h s ARG 57 Cb -0.17 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 1x5h s ARG 57 CO 0.11 0.56 -0.03 1.52 0.02 0.00 0.00 175.30 177.48 1x5h s TYR 58 N -0.90 0.38 0.35 -0.53 1.13 -1.19 -0.34 117.35 116.25 1x5h s TYR 58 Ca 0.15 -0.78 -0.01 0.00 -1.41 0.00 0.00 57.07 55.02 1x5h s TYR 58 Cb -0.11 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1x5h s TYR 58 CO 0.05 -0.28 0.47 -0.98 -2.51 0.00 0.00 175.55 172.29 1x5h s ARG 59 N -2.63 1.95 0.21 -3.49 1.70 0.44 -1.98 118.95 115.15 1x5h s ARG 59 Ca -0.05 -1.83 -0.11 0.00 -0.47 0.00 0.00 55.73 53.27 1x5h s ARG 59 Cb -0.01 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 1x5h s ARG 59 CO -0.05 -0.80 0.55 0.15 -1.08 0.00 0.00 175.30 174.07 1x5h s LYS 60 N -2.98 3.85 0.22 3.89 1.02 -1.26 -1.44 119.74 123.03 1x5h s LYS 60 Ca 0.32 0.33 0.07 0.00 0.02 0.00 0.00 55.97 56.71 1x5h s LYS 60 Cb -0.00 -2.71 0.16 0.00 -0.52 0.00 0.00 37.83 34.75 1x5h s LYS 60 CO 0.22 0.35 1.49 0.00 -0.92 0.00 0.00 175.35 176.50 1x5h h ALA 61 N 2.79 0.75 0.00 5.17 0.00 -1.91 0.50 119.26 126.55 1x5h h ALA 61 Ca -0.47 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 1x5h h ALA 61 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x5h h ALA 61 CO 0.68 0.89 -0.28 1.03 0.00 0.00 0.00 179.25 181.57 1x5h h SER 62 N 0.04 0.00 0.04 0.00 0.87 -1.94 -3.39 113.55 109.17 1x5h h SER 62 Ca -0.01 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1x5h h SER 62 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1x5h h SER 62 CO 0.10 0.83 -0.02 -0.09 -0.53 0.00 0.00 176.83 177.12 1x5h h ARG 63 N -1.00 -0.05 -5.27 2.24 9.65 -1.99 -3.46 114.38 114.50 1x5h h ARG 63 Ca -0.05 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.48 1x5h h ARG 63 Cb 0.56 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.08 1x5h h ARG 63 CO -0.03 0.36 -0.51 1.63 2.80 0.00 0.00 179.97 184.22 1x5h n LYS 64 N -4.91 -3.20 0.00 0.20 5.02 0.17 -4.71 118.16 110.73 1x5h n LYS 64 Ca -0.08 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1x5h n LYS 64 Cb 0.23 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 1x5h n LYS 64 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x5h n SER 65 N -2.21 1.29 -4.54 4.39 7.64 -1.26 -4.98 113.62 113.95 1x5h n SER 65 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 1x5h n SER 65 Cb 0.55 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 1x5h n SER 65 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5h s ASP 66 N -2.65 6.38 -0.04 6.43 -1.08 -1.26 -5.04 116.67 119.41 1x5h s ASP 66 Ca 0.00 -0.15 0.06 0.00 -0.52 0.00 0.00 52.55 51.94 1x5h s ASP 66 Cb 0.00 -2.34 -0.02 0.00 -1.46 0.00 0.00 42.92 39.10 1x5h s ASP 66 CO 0.00 -0.79 -0.23 -0.69 0.52 0.00 0.00 175.17 173.99 1x5h s VAL 67 N 2.96 2.33 -0.08 1.11 1.01 -1.26 -3.98 120.40 122.49 1x5h s VAL 67 Ca 0.26 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1x5h s VAL 67 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1x5h s VAL 67 CO 0.19 0.58 -0.03 -0.89 0.00 0.00 0.00 175.10 174.96 1x5h s THR 68 N -0.54 4.06 -0.07 3.92 2.01 -0.84 -4.97 115.64 119.21 1x5h s THR 68 Ca 0.08 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 1x5h s THR 68 Cb -0.11 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1x5h s THR 68 CO 0.00 0.60 0.44 -0.70 -0.69 0.00 0.00 174.62 174.27 1x5h s GLU 69 N -0.84 4.18 -0.16 4.92 2.12 -1.26 -3.20 118.70 124.46 1x5h s GLU 69 Ca 0.13 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.83 1x5h s GLU 69 Cb -0.11 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 30.98 1x5h s GLU 69 CO 0.02 0.37 0.07 0.99 -0.54 0.00 0.00 175.26 176.17 1x5h s THR 70 N -0.05 0.07 0.02 -1.70 2.01 -0.79 -5.03 115.64 110.17 1x5h s THR 70 Ca 0.24 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1x5h s THR 70 Cb -0.16 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1x5h s THR 70 CO 0.11 -0.18 0.24 -0.22 -0.69 0.00 0.00 174.62 173.87 1x5h s LEU 71 N 2.07 4.36 0.37 4.42 2.96 -1.26 -0.59 118.68 131.00 1x5h s LEU 71 Ca 0.02 0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 1x5h s LEU 71 Cb -0.16 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1x5h s LEU 71 CO -0.08 0.23 0.21 0.68 -1.32 0.00 0.00 176.35 176.08 1x5h s VAL 72 N -1.36 0.24 0.52 1.68 -7.23 -1.00 -4.98 120.40 108.26 1x5h s VAL 72 Ca 0.29 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 1x5h s VAL 72 Cb -0.13 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 1x5h s VAL 72 CO 0.19 0.00 0.99 -0.55 -0.31 0.00 0.00 175.10 175.42 1x5h s SER 73 N -3.48 6.57 0.06 4.85 0.15 -1.26 -3.19 113.70 117.39 1x5h s SER 73 Ca 0.33 1.58 -0.33 0.00 0.70 0.00 0.00 55.95 58.22 1x5h s SER 73 Cb 0.02 -2.51 -0.18 0.00 -1.71 0.00 0.00 66.02 61.64 1x5h s SER 73 CO 0.22 -0.63 1.51 1.23 1.20 0.00 0.00 173.24 176.77 1x5h h GLY 74 N 0.86 -1.26 2.00 9.45 0.00 -0.62 -2.38 103.07 111.12 1x5h h GLY 74 Ca -0.47 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1x5h h GLY 74 CO 0.61 -0.44 0.00 0.00 0.00 0.00 0.00 176.54 176.72 1x5h h THR 75 N -1.14 0.00 -3.07 4.70 1.03 -1.87 -3.41 112.91 109.15 1x5h h THR 75 Ca -0.11 -0.07 -0.57 0.00 -0.01 0.00 0.00 66.41 65.66 1x5h h THR 75 Cb 0.90 0.95 -0.04 0.00 -1.07 0.00 0.00 68.15 68.89 1x5h h THR 75 CO 0.13 0.00 1.11 -1.58 -0.01 0.00 0.00 175.52 175.17 1x5h s GLN 76 N -3.94 3.59 -0.34 0.00 0.74 -0.90 -4.86 119.66 113.95 1x5h s GLN 76 Ca -0.03 1.16 0.08 0.00 0.05 0.00 0.00 55.36 56.62 1x5h s GLN 76 Cb 0.11 -4.05 0.64 0.00 1.10 0.00 0.00 33.01 30.81 1x5h s GLN 76 CO 0.38 -1.54 1.71 1.28 -0.55 0.00 0.00 175.29 176.57 1x5h n LEU 77 N 8.95 5.56 -3.73 3.68 4.77 -1.26 -4.66 117.00 130.29 1x5h n LEU 77 Ca 0.18 -3.47 -0.11 0.00 -0.03 0.00 0.00 56.01 52.58 1x5h n LEU 77 Cb 0.47 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1x5h n LEU 77 CO 0.68 0.99 0.05 -0.94 -1.33 0.00 0.00 177.39 176.84 1x5h s SER 78 N -1.61 -0.12 -0.26 -1.43 1.04 -1.26 -3.02 113.70 107.05 1x5h s SER 78 Ca 0.52 -0.29 -0.20 0.00 0.48 0.00 0.00 55.95 56.46 1x5h s SER 78 Cb 0.43 0.39 0.07 0.00 0.10 0.00 0.00 66.02 67.01 1x5h s SER 78 CO 0.09 -0.70 0.67 -1.58 0.98 0.00 0.00 173.24 172.69 1x5h s GLN 79 N -3.11 0.74 -0.35 4.02 2.00 -1.02 -4.95 119.66 116.98 1x5h s GLN 79 Ca -0.01 1.04 -0.10 0.00 -2.00 0.00 0.00 55.36 54.29 1x5h s GLN 79 Cb 0.01 0.27 0.02 0.00 0.80 0.00 0.00 33.01 34.11 1x5h s GLN 79 CO -0.07 -0.12 0.18 -1.17 -0.50 0.00 0.00 175.29 173.61 1x5h s LEU 80 N 0.88 4.50 -0.76 3.68 2.96 -1.26 -0.05 118.68 128.64 1x5h s LEU 80 Ca -0.04 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.79 1x5h s LEU 80 Cb -0.05 -1.99 0.15 0.00 0.50 0.00 0.00 46.19 44.80 1x5h s LEU 80 CO -0.07 -0.33 0.83 -0.63 -1.32 0.00 0.00 176.35 174.82 1x5h s ILE 81 N 1.54 5.08 0.38 6.68 -1.09 -0.52 -4.91 121.20 128.36 1x5h s ILE 81 Ca 0.02 -1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 56.77 1x5h s ILE 81 Cb -0.19 -4.55 -0.03 0.00 -1.58 0.00 0.00 42.46 36.11 1x5h s ILE 81 CO 0.06 -1.18 0.60 -1.61 -1.23 0.00 0.00 174.94 171.58 1x5h s GLU 82 N 1.80 3.50 0.00 2.79 2.02 -1.26 -1.61 118.70 125.94 1x5h s GLU 82 Ca 0.19 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1x5h s GLU 82 Cb -0.15 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1x5h s GLU 82 CO -0.03 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.73 1x5h n GLY 83 N -1.89 0.73 2.09 -1.39 0.00 0.37 -4.94 105.19 100.16 1x5h n GLY 83 Ca -0.04 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1x5h n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5h n LEU 84 N -0.28 0.00 -4.77 0.99 4.77 0.12 -5.02 117.00 112.80 1x5h n LEU 84 Ca 0.00 -1.75 -0.22 0.00 -0.03 0.00 0.00 56.01 54.00 1x5h n LEU 84 Cb 0.19 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1x5h n LEU 84 CO 0.00 -0.31 -0.16 -0.62 -1.33 0.00 0.00 177.39 174.97 1x5h s ASP 85 N -2.66 4.86 0.49 -1.43 -1.08 -1.25 -4.34 116.67 111.27 1x5h s ASP 85 Ca 0.05 -0.70 -0.03 0.00 -0.52 0.00 0.00 52.55 51.36 1x5h s ASP 85 Cb -0.00 -0.79 -0.01 0.00 -1.46 0.00 0.00 42.92 40.66 1x5h s ASP 85 CO 0.03 -0.33 0.76 0.00 0.52 0.00 0.00 175.17 176.15 1x5h s ARG 86 N -3.90 3.12 -1.19 4.34 1.70 -1.25 -4.33 118.95 117.44 1x5h s ARG 86 Ca 0.39 -0.21 -0.03 0.00 -0.47 0.00 0.00 55.73 55.41 1x5h s ARG 86 Cb -0.03 -2.44 0.03 0.00 -0.57 0.00 0.00 34.95 31.94 1x5h s ARG 86 CO 0.24 -0.37 0.07 0.41 -1.08 0.00 0.00 175.30 174.57 1x5h n GLY 87 N -2.26 -0.12 2.75 3.88 0.00 -1.25 -4.86 105.19 103.32 1x5h n GLY 87 Ca 0.02 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.81 -0.03 0.32 2.61 2.01 -1.26 -4.95 115.64 110.53 1x5h s THR 88 Ca 0.10 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1x5h s THR 88 Cb -0.06 -0.14 -0.09 0.00 0.01 0.00 0.00 72.50 72.22 1x5h s THR 88 CO 0.75 0.13 1.16 -0.70 -0.69 0.00 0.00 174.62 175.27 1x5h s GLU 89 N 1.44 4.42 0.02 4.92 2.12 -1.26 -3.33 118.70 127.03 1x5h s GLU 89 Ca -0.04 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.19 1x5h s GLU 89 Cb -0.13 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 1x5h s GLU 89 CO -0.03 -0.01 -0.04 0.71 -0.54 0.00 0.00 175.26 175.35 1x5h s TYR 90 N -1.24 0.34 -0.12 5.30 2.02 0.12 -3.28 117.35 120.49 1x5h s TYR 90 Ca 0.49 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1x5h s TYR 90 Cb -0.33 -0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1x5h s TYR 90 CO 0.43 -0.09 -0.02 -0.80 -1.57 0.00 0.00 175.55 173.50 1x5h s ASN 91 N -0.96 5.03 0.22 2.29 0.02 -0.52 0.52 114.94 121.54 1x5h s ASN 91 Ca -0.08 0.00 0.06 0.00 -1.02 0.00 0.00 52.86 51.82 1x5h s ASN 91 Cb -0.07 -1.63 -0.05 0.00 0.02 0.00 0.00 41.25 39.53 1x5h s ASN 91 CO -0.00 0.26 -0.07 -0.36 0.02 0.00 0.00 177.10 176.95 1x5h s PHE 92 N -0.20 1.66 -0.25 2.20 0.40 -0.73 -0.42 117.98 120.64 1x5h s PHE 92 Ca 0.05 -0.74 -0.11 0.00 -0.60 0.00 0.00 56.93 55.53 1x5h s PHE 92 Cb -0.13 -0.89 0.10 0.00 0.51 0.00 0.00 43.02 42.61 1x5h s PHE 92 CO 0.02 0.18 0.58 -0.98 0.70 0.00 0.00 175.22 175.72 1x5h s ARG 93 N -3.75 0.53 -0.15 0.44 1.70 0.54 -2.42 118.95 115.85 1x5h s ARG 93 Ca 0.25 1.20 -0.06 0.00 -0.47 0.00 0.00 55.73 56.65 1x5h s ARG 93 Cb 0.03 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1x5h s ARG 93 CO 0.08 -0.19 0.08 0.08 -1.08 0.00 0.00 175.30 174.26 1x5h s VAL 94 N 2.26 4.95 0.03 4.99 1.01 -1.26 -1.14 120.40 131.24 1x5h s VAL 94 Ca -0.07 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1x5h s VAL 94 Cb -0.09 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1x5h s VAL 94 CO -0.17 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.37 1x5h s ALA 95 N -0.27 0.75 -0.09 5.51 0.00 -0.82 -0.69 121.76 126.17 1x5h s ALA 95 Ca 0.09 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1x5h s ALA 95 Cb -0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1x5h s ALA 95 CO 0.01 0.10 0.29 0.00 0.00 0.00 0.00 175.76 176.16 1x5h s ALA 96 N -0.88 3.71 0.03 0.00 0.00 -1.18 0.19 121.76 123.64 1x5h s ALA 96 Ca -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1x5h s ALA 96 Cb -0.07 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1x5h s ALA 96 CO 0.01 0.39 -0.12 -0.51 0.00 0.00 0.00 175.76 175.53 1x5h s LEU 97 N -0.55 2.91 0.25 0.00 1.43 0.23 -0.47 118.68 122.48 1x5h s LEU 97 Ca 0.19 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1x5h s LEU 97 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1x5h s LEU 97 CO 0.07 0.26 0.20 0.42 0.23 0.00 0.00 176.35 177.54 1x5h s THR 98 N -0.99 0.00 0.31 5.49 -4.23 -0.35 -0.93 115.64 114.93 1x5h s THR 98 Ca 0.17 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1x5h s THR 98 Cb -0.11 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.54 1x5h s THR 98 CO 0.07 0.00 1.78 -0.29 -0.54 0.00 0.00 174.62 175.64 1x5h h ILE 99 N 2.43 0.71 -0.02 2.99 6.09 -1.97 0.45 117.51 128.19 1x5h h ILE 99 Ca -0.32 -0.26 0.01 0.00 -1.37 0.00 0.00 64.86 62.92 1x5h h ILE 99 Cb 1.24 -0.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 1x5h h ILE 99 CO 0.46 0.14 0.03 0.78 -3.07 0.00 0.00 178.15 176.49 1x5h h ASN 100 N 0.76 0.00 0.00 2.19 -0.26 -1.92 -3.48 115.58 112.87 1x5h h ASN 100 Ca 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.32 1x5h h ASN 100 Cb 0.91 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1x5h h ASN 100 CO -0.37 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.61 1x5h n GLY 101 N -1.30 0.48 3.98 2.83 0.00 0.16 -4.74 105.19 106.60 1x5h n GLY 101 Ca -0.02 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 2.96 0.02 2.61 -4.23 -1.26 -1.21 115.64 114.53 1x5h s THR 102 Ca 0.00 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1x5h s THR 102 Cb 0.00 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 1x5h s THR 102 CO 0.00 -0.01 0.01 0.61 -0.54 0.00 0.00 174.62 174.69 1x5h n GLY 103 N -1.78 4.08 3.68 3.99 0.00 0.38 -4.19 105.19 111.35 1x5h n GLY 103 Ca 0.07 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.08 0.55 0.19 1.61 0.04 -1.26 -4.64 135.00 129.41 1x5h s PRO 104 Ca 0.01 0.56 0.08 0.00 0.04 0.00 0.00 61.00 61.70 1x5h s PRO 104 Cb 0.00 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1x5h s PRO 104 CO 0.01 -2.66 -0.16 0.00 0.04 0.00 0.00 177.00 174.22 1x5h s ALA 105 N -2.96 2.03 -0.06 8.56 0.00 -1.26 -3.09 121.76 124.99 1x5h s ALA 105 Ca 0.65 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 1x5h s ALA 105 Cb -0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1x5h s ALA 105 CO 0.57 0.14 0.85 0.95 0.00 0.00 0.00 175.76 178.28 1x5h s THR 106 N -2.58 4.94 0.13 0.00 -4.23 0.14 -4.90 115.64 109.14 1x5h s THR 106 Ca 0.20 1.75 -0.20 0.00 -1.18 0.00 0.00 61.69 62.26 1x5h s THR 106 Cb -0.03 -4.18 -0.12 0.00 1.34 0.00 0.00 72.50 69.51 1x5h s THR 106 CO 0.07 0.17 0.40 0.47 -0.54 0.00 0.00 174.62 175.19 1x5h n ASP 107 N 4.11 -0.79 -4.45 3.99 8.00 -1.26 -4.42 116.55 121.73 1x5h n ASP 107 Ca 0.03 0.79 -0.47 0.00 0.71 0.00 0.00 54.79 55.85 1x5h n ASP 107 Cb 0.51 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1x5h n TRP 108 N 0.10 1.31 -3.61 1.24 7.02 -1.26 -4.84 117.44 117.40 1x5h n TRP 108 Ca 0.13 0.32 -0.39 0.00 -1.02 0.00 0.00 57.50 56.54 1x5h n TRP 108 Cb 0.16 -2.49 -0.11 0.00 -2.42 0.00 0.00 31.31 26.45 1x5h n TRP 108 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1x5h s LEU 109 N 8.37 4.17 0.25 -0.99 2.96 -1.01 -4.93 118.68 127.50 1x5h s LEU 109 Ca 1.14 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 54.48 1x5h s LEU 109 Cb -0.89 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 43.65 1x5h s LEU 109 CO 0.47 -0.16 0.79 -0.94 -1.32 0.00 0.00 176.35 175.18 1x5h s SER 110 N 1.68 7.14 -0.08 3.68 1.04 -1.26 -1.78 113.70 124.12 1x5h s SER 110 Ca 0.06 1.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.99 1x5h s SER 110 Cb -0.17 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 63.53 1x5h s SER 110 CO 0.08 0.00 0.19 0.00 0.98 0.00 0.00 173.24 174.49 1x5h s ALA 111 N -1.55 -0.37 -0.27 5.32 0.00 0.18 -4.93 121.76 120.14 1x5h s ALA 111 Ca 0.45 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 1x5h s ALA 111 Cb -0.17 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1x5h s ALA 111 CO 0.22 -0.22 0.12 -2.00 0.00 0.00 0.00 175.76 173.88 1x5h s GLU 112 N 1.33 3.62 1.10 0.00 2.12 -1.26 0.14 118.70 125.76 1x5h s GLU 112 Ca -0.08 -0.51 -0.15 0.00 0.36 0.00 0.00 54.97 54.59 1x5h s GLU 112 Cb -0.11 -3.46 0.24 0.00 0.26 0.00 0.00 34.13 31.06 1x5h s GLU 112 CO -0.07 -0.25 1.08 0.95 -0.54 0.00 0.00 175.26 176.43 1x5h s THR 113 N 1.64 1.86 -0.35 -1.70 -4.23 -1.21 -4.93 115.64 106.72 1x5h s THR 113 Ca 0.06 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 1x5h s THR 113 Cb -0.16 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1x5h s THR 113 CO 0.06 0.00 0.90 -0.36 -0.54 0.00 0.00 174.62 174.68 1x5h s PHE 114 N -2.88 3.12 0.47 3.99 0.08 -1.26 -3.87 117.98 117.63 1x5h s PHE 114 Ca 0.67 0.83 0.38 0.00 0.12 0.00 0.00 56.93 58.93 1x5h s PHE 114 Cb -0.17 -3.53 1.56 0.00 -0.57 0.00 0.00 43.02 40.31 1x5h s PHE 114 CO 0.58 -0.75 1.55 0.39 -0.10 0.00 0.00 175.22 176.90 1x5h n GLU 115 N 6.62 -0.03 -4.19 0.44 4.71 -1.26 -3.95 120.64 122.98 1x5h n GLU 115 Ca 0.07 1.20 -0.11 0.00 -0.01 0.00 0.00 57.16 58.30 1x5h n GLU 115 Cb 0.48 -2.47 -0.10 0.00 -1.01 0.00 0.00 31.44 28.34 1x5h n GLU 115 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1x5h s SER 116 N -4.15 0.94 0.31 1.62 0.01 -1.26 -4.40 113.70 106.77 1x5h s SER 116 Ca -0.07 -1.12 0.08 0.00 1.31 0.00 0.00 55.95 56.15 1x5h s SER 116 Cb 0.30 0.16 0.88 0.00 0.21 0.00 0.00 66.02 67.57 1x5h s SER 116 CO 0.84 -0.58 1.67 -2.24 0.41 0.00 0.00 173.24 173.33 1x5h h ASP 117 N 2.84 0.32 -0.68 2.44 3.04 -2.02 -3.37 116.42 118.99 1x5h h ASP 117 Ca -0.36 0.18 -0.34 0.00 -3.24 0.00 0.00 57.03 53.28 1x5h h ASP 117 Cb 1.19 0.18 -0.04 0.00 -1.04 0.00 0.00 39.33 39.62 1x5h h ASP 117 CO 0.63 -0.10 1.32 0.18 -2.04 0.00 0.00 179.24 179.23 1x5h n LEU 118 N -5.10 1.14 -4.97 0.15 4.77 -1.26 -4.90 117.00 106.84 1x5h n LEU 118 Ca 0.26 -0.61 -0.18 0.00 -0.03 0.00 0.00 56.01 55.45 1x5h n LEU 118 Cb 0.81 -1.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1x5h n LEU 118 CO 0.09 -1.63 0.08 1.51 -1.33 0.00 0.00 177.39 176.12 1x5h s ASP 119 N 9.30 5.56 0.02 -1.43 -4.77 -1.26 -4.91 116.67 119.17 1x5h s ASP 119 Ca 1.11 -0.45 -0.05 0.00 -3.30 0.00 0.00 52.55 49.85 1x5h s ASP 119 Cb -0.52 -0.77 -0.05 0.00 -1.09 0.00 0.00 42.92 40.50 1x5h s ASP 119 CO 0.32 -0.65 0.26 -0.70 0.70 0.00 0.00 175.17 175.10 1x5h s GLU 120 N -4.24 3.56 -0.05 2.11 -6.30 -1.26 -5.10 118.70 107.41 1x5h s GLU 120 Ca 0.51 -0.13 0.06 0.00 -2.50 0.00 0.00 54.97 52.90 1x5h s GLU 120 Cb -0.08 -3.06 -0.02 0.00 0.00 0.00 0.00 34.13 30.97 1x5h s GLU 120 CO 0.31 0.63 -0.23 -0.08 0.02 0.00 0.00 175.26 175.92 1x5h s THR 121 N -1.35 2.31 0.34 -1.70 -1.32 -1.26 -5.12 115.64 107.55 1x5h s THR 121 Ca 0.29 -0.99 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 1x5h s THR 121 Cb -0.13 -1.85 0.04 0.00 -1.51 0.00 0.00 72.50 69.05 1x5h s THR 121 CO 0.18 0.58 0.72 0.00 -2.21 0.00 0.00 174.62 173.89 1x5h s ARG 122 N -0.41 2.04 -0.09 7.08 1.70 -1.26 -5.17 118.95 122.85 1x5h s ARG 122 Ca 0.04 -1.32 0.02 0.00 -0.47 0.00 0.00 55.73 54.00 1x5h s ARG 122 Cb -0.12 0.60 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 1x5h s ARG 122 CO 0.01 -0.94 -0.16 0.54 -1.08 0.00 0.00 175.30 173.68 1x5h s VAL 123 N -2.95 1.46 0.98 4.99 0.11 -1.26 -5.14 120.40 118.60 1x5h s VAL 123 Ca 0.16 -0.65 -0.12 0.00 -2.93 0.00 0.00 61.98 58.44 1x5h s VAL 123 Cb -0.05 -1.32 0.18 0.00 -1.53 0.00 0.00 36.38 33.66 1x5h s VAL 123 CO 0.11 0.43 1.09 -2.16 -3.33 0.00 0.00 175.10 171.24 1x5h s PRO 124 N 0.72 0.58 -0.51 1.54 0.04 -1.26 -5.03 135.00 131.09 1x5h s PRO 124 Ca -0.12 0.58 0.02 0.00 0.04 0.00 0.00 61.00 61.51 1x5h s PRO 124 Cb -0.16 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.76 1x5h s PRO 124 CO 0.03 -2.64 0.27 -2.00 0.04 0.00 0.00 177.00 172.70 1x5h s GLU 125 N -4.96 2.06 -0.05 4.56 2.12 -1.26 -5.09 118.70 116.08 1x5h s GLU 125 Ca 0.65 -2.43 -0.05 0.00 0.36 0.00 0.00 54.97 53.49 1x5h s GLU 125 Cb -0.18 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1x5h s GLU 125 CO 0.57 -1.10 0.19 0.08 -0.54 0.00 0.00 175.26 174.47 1x5h s VAL 126 N 0.04 5.43 -0.06 3.70 1.01 -1.26 -5.10 120.40 124.16 1x5h s VAL 126 Ca 0.15 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 1x5h s VAL 126 Cb -0.23 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1x5h s VAL 126 CO -0.02 0.45 0.64 -0.94 0.00 0.00 0.00 175.10 175.23 1x5h s SER 127 N -1.51 -0.61 0.00 3.32 1.04 -1.26 -5.12 113.70 109.56 1x5h s SER 127 Ca 0.22 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1x5h s SER 127 Cb -0.13 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1x5h s SER 127 CO 0.12 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1x5h n GLY 128 N 1.10 1.19 3.77 7.32 0.00 -1.26 -5.15 105.19 112.15 1x5h n GLY 128 Ca -0.19 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 2.32 0.32 1.61 0.04 -1.26 -5.08 135.00 132.95 1x5h s PRO 129 Ca 0.00 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.28 1x5h s PRO 129 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1x5h s PRO 129 CO 0.00 -1.60 0.18 -1.54 0.04 0.00 0.00 177.00 174.08 1x5h s SER 130 N -3.29 1.73 0.03 6.66 1.04 -1.26 -5.11 113.70 113.50 1x5h s SER 130 Ca 0.62 -1.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 1x5h s SER 130 Cb -0.18 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1x5h s SER 130 CO 0.54 -0.94 -0.08 -1.20 0.98 0.00 0.00 173.24 172.54 1x5h n SER 131 N -1.13 1.23 0.00 7.02 7.64 -1.26 -5.37 113.62 121.76 1x5h n SER 131 Ca 0.02 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1x5h n SER 131 Cb 0.64 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64