#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 4.30 0.46 1.61 1.04 -1.26 -5.09 113.70 114.76 1x5h s SER 2 Ca 0.00 -1.50 -0.14 0.00 0.48 0.00 0.00 55.95 54.79 1x5h s SER 2 Cb 0.00 0.43 -0.12 0.00 0.10 0.00 0.00 66.02 66.43 1x5h s SER 2 CO 0.00 -0.91 -0.19 -1.54 0.98 0.00 0.00 173.24 171.57 1x5h n SER 3 N -1.41 -3.21 -3.63 7.02 3.41 -1.26 -4.98 113.62 109.55 1x5h n SER 3 Ca -0.13 0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 58.79 1x5h n SER 3 Cb 0.66 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1x5h n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5h s GLY 4 N -0.78 1.39 0.34 5.00 0.00 -1.26 -5.18 107.32 106.83 1x5h s GLY 4 Ca 0.42 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 43.73 1x5h s GLY 4 CO 0.54 -1.07 0.09 -0.45 0.00 0.00 0.00 173.10 172.21 1x5h s SER 5 N -3.19 4.44 0.66 1.64 0.15 -1.26 -5.11 113.70 111.02 1x5h s SER 5 Ca 0.32 -0.89 -0.18 0.00 0.70 0.00 0.00 55.95 55.90 1x5h s SER 5 Cb 0.02 -0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1x5h s SER 5 CO 0.17 -0.29 1.27 -1.54 1.20 0.00 0.00 173.24 174.06 1x5h n SER 6 N -1.07 1.96 0.00 5.45 3.41 -1.26 -5.03 113.62 117.08 1x5h n SER 6 Ca -0.03 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1x5h n SER 6 Cb 0.62 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1x5h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5h n GLY 7 N 0.93 1.37 3.36 5.00 0.00 -1.26 -5.06 105.19 109.53 1x5h n GLY 7 Ca 0.16 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 1x5h n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x5h n ASP 8 N 0.00 -2.11 -3.71 1.61 5.68 -1.26 -5.05 116.55 111.71 1x5h n ASP 8 Ca 0.00 -0.13 -0.12 0.00 -0.50 0.00 0.00 54.79 54.04 1x5h n ASP 8 Cb 0.00 -1.09 -0.10 0.00 -1.14 0.00 0.00 41.12 38.80 1x5h n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x5h s VAL 9 N -2.31 -0.01 -1.00 2.12 1.01 -1.26 -4.93 120.40 114.03 1x5h s VAL 9 Ca 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1x5h s VAL 9 Cb -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1x5h s VAL 9 CO 0.66 0.01 0.86 0.00 0.00 0.00 0.00 175.10 176.62 1x5h n ALA 10 N 3.17 -1.21 -1.80 5.51 0.00 -1.26 -4.95 120.51 119.98 1x5h n ALA 10 Ca -0.16 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1x5h n ALA 10 Cb 0.57 -3.47 -0.01 0.00 0.00 0.00 0.00 19.45 16.53 1x5h n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5h s VAL 11 N -3.26 2.44 -0.15 0.00 0.11 -1.26 -5.02 120.40 113.26 1x5h s VAL 11 Ca 0.28 0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 59.74 1x5h s VAL 11 Cb -0.12 -3.27 0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1x5h s VAL 11 CO 0.56 0.09 -0.05 -0.13 -3.33 0.00 0.00 175.10 172.24 1x5h s ARG 12 N -1.47 1.35 0.22 1.54 0.52 -1.26 -5.13 118.95 114.72 1x5h s ARG 12 Ca 0.54 -0.43 0.08 0.00 -0.52 0.00 0.00 55.73 55.40 1x5h s ARG 12 Cb -0.43 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 1x5h s ARG 12 CO 0.54 -0.41 -0.15 0.95 0.02 0.00 0.00 175.30 176.25 1x5h s THR 13 N 1.68 1.84 0.37 0.02 -4.23 -1.26 -5.14 115.64 108.92 1x5h s THR 13 Ca 0.02 -2.24 -0.15 0.00 -1.18 0.00 0.00 61.69 58.13 1x5h s THR 13 Cb -0.15 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.51 1x5h s THR 13 CO -0.08 -0.56 0.80 -0.76 -0.54 0.00 0.00 174.62 173.48 1x5h s LEU 14 N -3.35 3.98 0.08 4.79 1.02 -1.26 -5.09 118.68 118.85 1x5h s LEU 14 Ca 0.24 1.35 -0.04 0.00 0.02 0.00 0.00 54.13 55.70 1x5h s LEU 14 Cb -0.01 -4.18 -0.03 0.00 0.02 0.00 0.00 46.19 41.99 1x5h s LEU 14 CO 0.08 -0.29 0.07 -0.44 0.02 0.00 0.00 176.35 175.80 1x5h s SER 15 N -2.45 0.32 -0.10 2.29 0.01 -1.26 -5.08 113.70 107.43 1x5h s SER 15 Ca 0.55 -0.91 -0.21 0.00 1.31 0.00 0.00 55.95 56.69 1x5h s SER 15 Cb -0.10 0.27 -0.18 0.00 0.21 0.00 0.00 66.02 66.23 1x5h s SER 15 CO 0.20 -0.68 0.70 0.44 0.41 0.00 0.00 173.24 174.30 1x5h h ASP 16 N 2.94 -0.05 -1.79 2.44 3.32 -1.98 -3.47 116.42 117.82 1x5h h ASP 16 Ca -0.34 -0.58 -0.52 0.00 0.02 0.00 0.00 57.03 55.61 1x5h h ASP 16 Cb 1.17 0.01 0.18 0.00 0.22 0.00 0.00 39.33 40.92 1x5h h ASP 16 CO 0.61 0.68 -1.24 1.33 -1.72 0.00 0.00 179.24 178.90 1x5h n VAL 17 N -4.75 0.00 -1.71 -1.35 0.24 -1.26 -4.88 118.33 104.61 1x5h n VAL 17 Ca -0.07 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.34 61.45 1x5h n VAL 17 Cb 0.31 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.19 2.75 -0.03 7.34 0.04 -1.26 -4.98 135.00 137.67 1x5h s PRO 18 Ca 0.46 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1x5h s PRO 18 Cb -0.36 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.32 1x5h s PRO 18 CO 0.64 -1.29 1.02 0.43 0.04 0.00 0.00 177.00 177.85 1x5h n SER 19 N -2.52 2.00 -4.57 6.66 7.64 -1.26 -3.87 113.62 117.71 1x5h n SER 19 Ca 0.10 -2.26 -0.35 0.00 1.01 0.00 0.00 58.87 57.38 1x5h n SER 19 Cb 0.52 -0.12 -0.11 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.45 3.27 0.30 -0.43 0.00 -1.26 -4.84 121.76 117.35 1x5h s ALA 20 Ca 0.08 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1x5h s ALA 20 Cb 0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1x5h s ALA 20 CO 0.01 0.05 0.22 0.00 0.00 0.00 0.00 175.76 176.03 1x5h s ALA 21 N 0.63 3.66 0.38 0.00 0.00 -1.26 -4.34 121.76 120.82 1x5h s ALA 21 Ca 0.02 -1.59 -0.26 0.00 0.00 0.00 0.00 51.96 50.13 1x5h s ALA 21 Cb -0.13 -1.14 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 1x5h s ALA 21 CO 0.02 0.12 1.20 -1.25 0.00 0.00 0.00 175.76 175.85 1x5h s PRO 22 N -3.90 4.15 0.55 0.00 0.04 -1.26 -4.15 135.00 130.43 1x5h s PRO 22 Ca 0.37 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.40 1x5h s PRO 22 Cb -0.06 -2.80 0.04 0.00 0.04 0.00 0.00 34.50 31.72 1x5h s PRO 22 CO 0.25 -0.26 0.44 -0.65 0.04 0.00 0.00 177.00 176.82 1x5h s GLN 23 N -2.12 2.26 -1.55 4.56 1.11 0.11 -4.66 119.66 119.37 1x5h s GLN 23 Ca 0.54 -1.98 -0.04 0.00 0.01 0.00 0.00 55.36 53.89 1x5h s GLN 23 Cb -0.33 -2.15 0.01 0.00 -1.01 0.00 0.00 33.01 29.53 1x5h s GLN 23 CO 0.42 -0.64 0.50 0.09 0.01 0.00 0.00 175.29 175.68 1x5h n ASN 24 N -1.81 -5.82 -4.74 5.90 3.02 -1.26 0.83 115.26 111.37 1x5h n ASN 24 Ca 0.00 -0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 53.96 1x5h n ASN 24 Cb 0.64 -4.73 0.06 0.00 -0.61 0.00 0.00 39.78 35.14 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 -6.56 3.47 -0.05 3.41 2.96 -1.25 -4.18 118.68 116.47 1x5h s LEU 25 Ca 0.27 2.29 -0.31 0.00 -0.22 0.00 0.00 54.13 56.15 1x5h s LEU 25 Cb -0.12 -4.58 0.11 0.00 0.50 0.00 0.00 46.19 42.10 1x5h s LEU 25 CO 0.33 -1.86 1.08 -0.44 -1.32 0.00 0.00 176.35 174.14 1x5h s SER 26 N -1.98 -0.21 -0.32 3.68 0.01 0.17 -4.93 113.70 110.12 1x5h s SER 26 Ca 0.74 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.91 1x5h s SER 26 Cb -0.28 0.28 0.10 0.00 0.21 0.00 0.00 66.02 66.33 1x5h s SER 26 CO 0.40 -0.47 0.12 -0.76 0.41 0.00 0.00 173.24 172.94 1x5h s LEU 27 N -2.51 1.88 -0.98 2.44 1.43 -1.26 -0.41 118.68 119.28 1x5h s LEU 27 Ca 0.09 -1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 51.32 1x5h s LEU 27 Cb -0.00 -0.75 0.08 0.00 0.03 0.00 0.00 46.19 45.54 1x5h s LEU 27 CO -0.05 -0.41 1.32 -0.70 0.23 0.00 0.00 176.35 176.75 1x5h s GLU 28 N 1.61 3.58 -0.88 1.70 2.56 0.46 -4.84 118.70 122.89 1x5h s GLU 28 Ca 0.10 -1.33 -0.23 0.00 0.00 0.00 0.00 54.97 53.51 1x5h s GLU 28 Cb -0.18 -5.16 -0.19 0.00 2.00 0.00 0.00 34.13 30.60 1x5h s GLU 28 CO -0.25 -2.05 2.16 0.28 -0.56 0.00 0.00 175.26 174.85 1x5h n VAL 29 N 6.37 0.00 -0.09 3.70 0.31 -1.26 -1.11 118.33 126.25 1x5h n VAL 29 Ca 0.29 -0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 1x5h n VAL 29 Cb 0.50 -1.72 -0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 11.87 -0.01 0.00 5.55 2.47 -1.74 -3.46 114.38 129.06 1x5h h ARG 30 Ca 0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 1x5h h ARG 30 Cb 1.01 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.26 1x5h h ARG 30 CO 1.04 -0.00 -0.25 0.09 0.56 0.00 0.00 179.97 181.41 1x5h n ASN 31 N -5.27 -0.46 0.00 7.04 3.02 0.42 -4.98 115.26 115.03 1x5h n ASN 31 Ca 0.00 -2.25 0.13 0.00 -0.03 0.00 0.00 54.58 52.44 1x5h n ASN 31 Cb 0.18 1.04 0.64 0.00 -0.61 0.00 0.00 39.78 41.04 1x5h n ASN 31 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x5h n SER 32 N -2.19 0.00 0.00 6.41 7.64 -1.26 -3.20 113.62 121.02 1x5h n SER 32 Ca 0.04 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1x5h n SER 32 Cb 0.35 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1x5h n SER 32 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1x5h n LYS 33 N -1.39 0.45 -3.71 1.43 -0.00 -1.25 -2.57 118.16 111.11 1x5h n LYS 33 Ca 0.10 -0.63 -0.16 0.00 -0.00 0.00 0.00 58.31 57.62 1x5h n LYS 33 Cb 0.27 -0.78 -0.16 0.00 -0.00 0.00 0.00 35.03 34.36 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x5h s SER 34 N -0.25 0.46 -0.15 -5.58 1.04 -1.20 -0.69 113.70 107.34 1x5h s SER 34 Ca 0.00 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1x5h s SER 34 Cb 0.00 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1x5h s SER 34 CO 0.00 -0.19 -0.17 -0.63 0.98 0.00 0.00 173.24 173.23 1x5h s ILE 35 N 1.67 1.78 0.07 -1.02 1.01 -0.25 -0.44 121.20 124.03 1x5h s ILE 35 Ca -0.03 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 1x5h s ILE 35 Cb -0.12 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 1x5h s ILE 35 CO -0.04 0.49 0.58 -0.32 0.00 0.00 0.00 174.94 175.65 1x5h s MET 36 N 1.30 4.23 -0.13 2.79 -2.45 -0.27 -1.71 119.30 123.06 1x5h s MET 36 Ca 0.03 0.76 -0.01 0.00 -1.25 0.00 0.00 55.69 55.21 1x5h s MET 36 Cb -0.13 -3.24 -0.02 0.00 1.25 0.00 0.00 34.83 32.68 1x5h s MET 36 CO -0.10 0.62 -0.08 0.42 1.05 0.00 0.00 175.02 176.93 1x5h s ILE 37 N -1.07 3.50 -0.17 10.11 1.01 0.02 0.17 121.20 134.78 1x5h s ILE 37 Ca 0.29 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1x5h s ILE 37 Cb -0.20 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.81 1x5h s ILE 37 CO 0.19 0.53 -0.14 -1.00 0.00 0.00 0.00 174.94 174.52 1x5h s HIS 38 N 0.12 2.35 0.22 3.97 3.76 0.45 -2.40 115.29 123.76 1x5h s HIS 38 Ca -0.04 -1.39 0.00 0.00 -0.15 0.00 0.00 55.06 53.48 1x5h s HIS 38 Cb -0.14 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.84 1x5h s HIS 38 CO 0.04 -0.71 0.09 1.67 -0.85 0.00 0.00 174.74 174.98 1x5h s TRP 39 N 1.43 1.31 0.12 1.40 -2.14 -1.06 0.41 118.94 120.40 1x5h s TRP 39 Ca 0.03 -1.23 0.06 0.00 2.66 0.00 0.00 56.10 57.62 1x5h s TRP 39 Cb -0.14 -0.72 -0.04 0.00 -3.10 0.00 0.00 33.47 29.47 1x5h s TRP 39 CO -0.10 -0.44 -0.16 -0.65 -2.66 0.00 0.00 176.95 172.94 1x5h s GLN 40 N -4.06 1.04 0.41 3.25 -1.52 0.24 -4.76 119.66 114.26 1x5h s GLN 40 Ca 0.35 -1.20 -0.25 0.00 -1.95 0.00 0.00 55.36 52.31 1x5h s GLN 40 Cb 0.07 -1.03 -0.08 0.00 -0.22 0.00 0.00 33.01 31.75 1x5h s GLN 40 CO 0.11 0.21 1.18 -1.25 -0.25 0.00 0.00 175.29 175.30 1x5h s PRO 41 N -2.41 3.99 0.86 2.91 0.04 -1.26 -0.71 135.00 138.42 1x5h s PRO 41 Ca 0.08 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1x5h s PRO 41 Cb -0.07 -2.64 0.11 0.00 0.04 0.00 0.00 34.50 31.94 1x5h s PRO 41 CO 0.04 -0.38 1.09 -1.25 0.04 0.00 0.00 177.00 176.54 1x5h s PRO 42 N -2.36 1.57 0.70 0.56 0.04 -1.26 -4.55 135.00 129.71 1x5h s PRO 42 Ca 0.58 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1x5h s PRO 42 Cb -0.31 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1x5h s PRO 42 CO 0.39 -2.05 0.98 0.00 0.04 0.00 0.00 177.00 176.36 1x5h n ALA 43 N -3.77 -0.12 -0.11 8.56 0.00 -1.26 -4.85 120.51 118.96 1x5h n ALA 43 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1x5h n ALA 43 Cb 0.55 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.11 0.89 -0.43 0.00 0.13 -1.94 -2.28 132.00 128.26 1x5h h PRO 44 Ca -0.48 -0.47 0.06 0.00 -0.87 0.00 0.00 66.00 64.25 1x5h h PRO 44 Cb 1.34 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1x5h h PRO 44 CO 0.48 1.12 0.11 0.00 -0.23 0.00 0.00 178.00 179.48 1x5h h ALA 45 N 0.76 0.49 0.11 -0.56 0.00 -2.02 -2.93 119.26 115.11 1x5h h ALA 45 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1x5h h ALA 45 Cb 0.96 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x5h h ALA 45 CO 0.09 -0.29 -0.05 1.79 0.00 0.00 0.00 179.25 180.79 1x5h h THR 46 N 0.25 1.10 -0.84 0.00 1.35 -1.94 -3.45 112.91 109.39 1x5h h THR 46 Ca 0.21 -0.90 -0.62 0.00 -0.55 0.00 0.00 66.41 64.54 1x5h h THR 46 Cb 0.24 1.66 0.06 0.00 -1.73 0.00 0.00 68.15 68.39 1x5h h THR 46 CO -0.25 0.21 -0.14 0.00 -0.25 0.00 0.00 175.52 175.10 1x5h n GLN 47 N -4.96 0.00 -1.24 4.72 6.02 -0.86 -4.78 117.38 116.28 1x5h n GLN 47 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.66 1x5h n GLN 47 Cb 0.24 -1.10 0.14 0.00 1.02 0.00 0.00 30.24 30.55 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 1.41 4.80 0.00 1.08 3.02 -1.26 -4.97 115.26 119.34 1x5h n ASN 48 Ca 0.16 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.01 1x5h n ASN 48 Cb 0.12 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5h n GLY 49 N -1.05 0.40 3.92 7.41 0.00 -1.26 -4.90 105.19 109.70 1x5h n GLY 49 Ca 0.56 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 3.47 -0.13 1.61 0.74 -1.26 -5.09 119.66 117.01 1x5h s GLN 50 Ca 0.00 -0.39 -0.12 0.00 0.05 0.00 0.00 55.36 54.89 1x5h s GLN 50 Cb 0.00 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1x5h s GLN 50 CO 0.00 0.57 0.26 0.42 -0.55 0.00 0.00 175.29 175.99 1x5h s ILE 51 N -1.57 5.31 -0.18 -2.34 1.01 -1.26 -4.08 121.20 118.09 1x5h s ILE 51 Ca 0.36 0.49 0.08 0.00 0.00 0.00 0.00 60.65 61.58 1x5h s ILE 51 Cb -0.13 -3.58 -0.16 0.00 0.01 0.00 0.00 42.46 38.60 1x5h s ILE 51 CO 0.28 0.48 -0.06 0.35 0.00 0.00 0.00 174.94 175.98 1x5h n THR 52 N 2.93 1.11 -3.86 2.92 -2.24 0.18 -4.81 114.28 110.51 1x5h n THR 52 Ca -0.14 -0.55 -0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1x5h n THR 52 Cb 0.53 -0.90 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 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 -5.45 -0.08 0.20 3.38 0.00 -1.17 -1.38 107.32 102.82 1x5h s GLY 53 Ca -0.18 -0.00 0.09 0.00 0.00 0.00 0.00 44.72 44.63 1x5h s GLY 53 CO 0.55 2.87 -0.18 -0.19 0.00 0.00 0.00 173.10 176.14 1x5h s TYR 54 N -2.27 1.95 -0.33 1.90 1.51 -1.21 0.94 117.35 119.84 1x5h s TYR 54 Ca 0.22 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1x5h s TYR 54 Cb -0.01 -0.93 0.08 0.00 -0.11 0.00 0.00 41.96 41.00 1x5h s TYR 54 CO 0.02 0.44 0.05 0.21 -1.11 0.00 0.00 175.55 175.16 1x5h s LYS 55 N -3.14 2.06 -0.50 -0.62 2.20 0.92 -2.58 119.74 118.08 1x5h s LYS 55 Ca 0.21 -1.57 -0.17 0.00 -0.36 0.00 0.00 55.97 54.08 1x5h s LYS 55 Cb -0.05 -3.26 0.08 0.00 -1.51 0.00 0.00 37.83 33.09 1x5h s LYS 55 CO 0.09 -0.81 0.50 0.42 -0.36 0.00 0.00 175.35 175.19 1x5h s ILE 56 N 1.12 5.09 -0.09 5.43 1.01 0.70 -2.01 121.20 132.45 1x5h s ILE 56 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1x5h s ILE 56 Cb -0.20 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1x5h s ILE 56 CO -0.04 -0.73 -0.09 -0.13 0.00 0.00 0.00 174.94 173.95 1x5h s ARG 57 N 2.01 2.98 0.02 2.79 0.52 -0.80 -0.90 118.95 125.58 1x5h s ARG 57 Ca 0.08 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1x5h s ARG 57 Cb -0.23 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 1x5h s ARG 57 CO 0.08 0.50 -0.08 1.52 0.02 0.00 0.00 175.30 177.34 1x5h s TYR 58 N -0.37 0.66 0.38 -0.53 1.13 -1.07 -1.16 117.35 116.39 1x5h s TYR 58 Ca 0.05 -0.29 0.05 0.00 -1.41 0.00 0.00 57.07 55.47 1x5h s TYR 58 Cb -0.12 -0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 40.30 1x5h s TYR 58 CO 0.02 -0.03 0.19 -0.98 -2.51 0.00 0.00 175.55 172.24 1x5h s ARG 59 N -0.84 1.88 -0.15 -3.49 1.70 -0.87 -1.82 118.95 115.36 1x5h s ARG 59 Ca -0.03 -2.13 -0.07 0.00 -0.47 0.00 0.00 55.73 53.03 1x5h s ARG 59 Cb -0.06 -0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 1x5h s ARG 59 CO 0.00 -0.56 0.11 0.15 -1.08 0.00 0.00 175.30 173.92 1x5h s LYS 60 N -3.60 3.66 0.10 3.89 1.02 -1.23 -1.58 119.74 122.00 1x5h s LYS 60 Ca 0.30 -0.22 -0.33 0.00 0.02 0.00 0.00 55.97 55.74 1x5h s LYS 60 Cb 0.02 -3.21 -0.14 0.00 -0.52 0.00 0.00 37.83 33.99 1x5h s LYS 60 CO 0.20 0.57 1.58 0.00 -0.92 0.00 0.00 175.35 176.78 1x5h h ALA 61 N 5.69 -0.92 0.45 5.17 0.00 -1.94 -2.93 119.26 124.79 1x5h h ALA 61 Ca -0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1x5h h ALA 61 Cb 1.20 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1x5h h ALA 61 CO 0.64 -1.06 -0.33 1.03 0.00 0.00 0.00 179.25 179.53 1x5h h SER 62 N -0.82 -0.84 -3.69 0.00 0.87 -1.95 -3.33 113.55 103.78 1x5h h SER 62 Ca -0.02 0.06 -0.78 0.00 -1.23 0.00 0.00 61.79 59.82 1x5h h SER 62 Cb 0.76 0.26 -0.25 0.00 -0.44 0.00 0.00 62.40 62.73 1x5h h SER 62 CO -0.13 -0.49 0.17 -0.60 -0.53 0.00 0.00 176.83 175.25 1x5h s ARG 63 N -6.03 3.61 -0.03 2.24 6.06 -1.16 -4.91 118.95 118.72 1x5h s ARG 63 Ca -0.17 -2.41 -0.02 0.00 -2.50 0.00 0.00 55.73 50.64 1x5h s ARG 63 Cb 0.05 -4.48 -0.06 0.00 0.06 0.00 0.00 34.95 30.53 1x5h s ARG 63 CO 0.63 -1.34 2.46 1.63 -2.50 0.00 0.00 175.30 176.18 1x5h n LYS 64 N 4.20 1.36 0.00 5.12 5.02 -1.11 -3.31 118.16 129.43 1x5h n LYS 64 Ca 0.15 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1x5h n LYS 64 Cb 0.47 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 1.68 2.16 -4.45 4.39 7.64 -1.26 -4.98 113.62 118.80 1x5h n SER 65 Ca 0.15 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 1x5h n SER 65 Cb 0.62 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.93 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 -2.45 6.19 -0.04 6.43 -1.08 -1.21 -5.01 116.67 119.50 1x5h s ASP 66 Ca 0.00 -1.07 0.04 0.00 -0.52 0.00 0.00 52.55 51.00 1x5h s ASP 66 Cb 0.00 -2.41 -0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1x5h s ASP 66 CO 0.00 -1.40 -0.16 0.54 0.52 0.00 0.00 175.17 174.66 1x5h s VAL 67 N 3.91 1.36 -0.07 1.11 0.11 -1.26 -3.60 120.40 121.95 1x5h s VAL 67 Ca 0.22 -0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1x5h s VAL 67 Cb -0.17 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1x5h s VAL 67 CO 0.09 0.39 0.02 -0.89 -3.33 0.00 0.00 175.10 171.38 1x5h s THR 68 N 0.09 4.40 -0.13 5.04 2.01 -0.76 -4.96 115.64 121.33 1x5h s THR 68 Ca -0.04 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 1x5h s THR 68 Cb -0.11 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1x5h s THR 68 CO 0.02 0.56 0.18 -0.70 -0.69 0.00 0.00 174.62 173.99 1x5h s GLU 69 N -1.05 3.77 -0.11 4.92 -6.30 -1.26 -2.60 118.70 116.06 1x5h s GLU 69 Ca 0.15 -0.08 -0.01 0.00 -2.50 0.00 0.00 54.97 52.53 1x5h s GLU 69 Cb -0.11 -3.28 0.03 0.00 0.00 0.00 0.00 34.13 30.76 1x5h s GLU 69 CO 0.04 0.59 -0.05 0.99 0.02 0.00 0.00 175.26 176.85 1x5h s THR 70 N -0.51 0.86 -0.11 -1.70 2.01 -0.07 -5.00 115.64 111.12 1x5h s THR 70 Ca 0.14 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1x5h s THR 70 Cb -0.12 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1x5h s THR 70 CO 0.03 0.31 0.19 -0.22 -0.69 0.00 0.00 174.62 174.23 1x5h s LEU 71 N 1.77 4.39 0.34 4.42 1.98 -1.26 -0.22 118.68 130.10 1x5h s LEU 71 Ca 0.04 0.53 0.03 0.00 -2.89 0.00 0.00 54.13 51.85 1x5h s LEU 71 Cb -0.13 -2.16 -0.05 0.00 0.66 0.00 0.00 46.19 44.51 1x5h s LEU 71 CO -0.07 0.37 0.09 0.68 -1.89 0.00 0.00 176.35 175.53 1x5h s VAL 72 N -0.90 0.87 0.56 1.68 -7.23 -1.06 -5.00 120.40 109.32 1x5h s VAL 72 Ca 0.16 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 1x5h s VAL 72 Cb -0.13 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1x5h s VAL 72 CO 0.05 0.00 1.04 -0.55 -0.31 0.00 0.00 175.10 175.33 1x5h s SER 73 N -3.50 6.04 0.15 4.85 0.15 -1.26 -3.33 113.70 116.80 1x5h s SER 73 Ca 0.32 1.78 -0.15 0.00 0.70 0.00 0.00 55.95 58.60 1x5h s SER 73 Cb 0.06 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1x5h s SER 73 CO 0.15 -0.99 1.76 1.23 1.20 0.00 0.00 173.24 176.59 1x5h h GLY 74 N 0.70 0.68 0.52 9.45 0.00 -1.54 -1.65 103.07 111.23 1x5h h GLY 74 Ca -0.47 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1x5h h GLY 74 CO 0.58 0.29 0.00 -0.37 0.00 0.00 0.00 176.54 177.05 1x5h n THR 75 N -4.69 0.00 -3.35 4.70 5.66 -1.26 -4.68 114.28 110.66 1x5h n THR 75 Ca 0.01 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.58 1x5h n THR 75 Cb 0.08 -0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 68.50 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 -2.00 3.06 -0.20 1.09 0.74 -0.62 -4.91 119.66 116.83 1x5h s GLN 76 Ca 0.24 -0.85 0.15 0.00 0.05 0.00 0.00 55.36 54.96 1x5h s GLN 76 Cb 0.11 -3.98 0.72 0.00 1.10 0.00 0.00 33.01 30.96 1x5h s GLN 76 CO 0.19 -0.85 1.63 1.28 -0.55 0.00 0.00 175.29 176.99 1x5h n LEU 77 N 5.51 5.03 -3.77 3.68 4.77 -1.26 -4.69 117.00 126.26 1x5h n LEU 77 Ca -0.08 -2.85 -0.13 0.00 -0.03 0.00 0.00 56.01 52.92 1x5h n LEU 77 Cb 0.47 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1x5h n LEU 77 CO 0.45 0.68 -0.03 -0.94 -1.33 0.00 0.00 177.39 176.22 1x5h s SER 78 N -1.12 -0.26 0.05 -1.43 1.04 -1.26 -2.57 113.70 108.15 1x5h s SER 78 Ca 0.50 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 57.27 1x5h s SER 78 Cb 0.38 0.52 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1x5h s SER 78 CO 0.16 -0.20 0.20 -1.58 0.98 0.00 0.00 173.24 172.79 1x5h s GLN 79 N -0.29 0.74 -0.24 4.02 2.00 -1.01 -5.00 119.66 119.87 1x5h s GLN 79 Ca -0.04 -0.72 0.01 0.00 -2.00 0.00 0.00 55.36 52.62 1x5h s GLN 79 Cb -0.03 0.30 0.06 0.00 0.80 0.00 0.00 33.01 34.14 1x5h s GLN 79 CO 0.01 -0.22 -0.07 -1.17 -0.50 0.00 0.00 175.29 173.34 1x5h s LEU 80 N -2.29 2.82 -0.46 3.68 2.96 -1.26 -0.80 118.68 123.33 1x5h s LEU 80 Ca -0.02 -1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 52.47 1x5h s LEU 80 Cb 0.01 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.44 1x5h s LEU 80 CO -0.06 -0.22 0.54 -0.63 -1.32 0.00 0.00 176.35 174.66 1x5h s ILE 81 N 1.30 4.98 0.29 6.68 -1.09 -0.70 -4.95 121.20 127.72 1x5h s ILE 81 Ca -0.07 -0.43 0.07 0.00 -2.23 0.00 0.00 60.65 57.99 1x5h s ILE 81 Cb -0.19 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1x5h s ILE 81 CO -0.06 -0.63 0.32 -1.61 -1.23 0.00 0.00 174.94 171.74 1x5h s GLU 82 N 2.38 3.03 0.00 2.79 2.02 -1.26 -1.09 118.70 126.57 1x5h s GLU 82 Ca 0.14 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1x5h s GLU 82 Cb -0.18 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1x5h s GLU 82 CO 0.13 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1x5h n GLY 83 N -1.39 0.81 3.42 -1.39 0.00 0.14 -4.97 105.19 101.81 1x5h n GLY 83 Ca -0.05 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.25 2.58 0.20 0.99 1.43 -0.48 -5.04 118.68 118.11 1x5h s LEU 84 Ca 0.00 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1x5h s LEU 84 Cb 0.00 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 1x5h s LEU 84 CO 0.00 -0.07 0.47 -1.81 0.23 0.00 0.00 176.35 175.17 1x5h s ASP 85 N -3.44 6.53 0.84 2.29 1.01 -1.26 -3.94 116.67 118.70 1x5h s ASP 85 Ca 0.27 0.73 -0.12 0.00 0.71 0.00 0.00 52.55 54.14 1x5h s ASP 85 Cb -0.03 -2.15 0.09 0.00 1.01 0.00 0.00 42.92 41.85 1x5h s ASP 85 CO 0.12 -0.04 1.10 0.00 0.21 0.00 0.00 175.17 176.56 1x5h s ARG 86 N -2.91 1.76 -1.52 8.23 1.04 -1.06 -3.96 118.95 120.54 1x5h s ARG 86 Ca 0.44 0.60 -0.01 0.00 -1.04 0.00 0.00 55.73 55.72 1x5h s ARG 86 Cb -0.11 -1.88 0.00 0.00 -2.04 0.00 0.00 34.95 30.91 1x5h s ARG 86 CO 0.24 -1.84 0.08 0.41 -0.04 0.00 0.00 175.30 174.16 1x5h n GLY 87 N -1.95 -0.16 3.06 3.88 0.00 -1.18 -4.89 105.19 103.95 1x5h n GLY 87 Ca 0.07 0.18 -0.12 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 -4.30 -0.03 0.38 2.61 2.01 -1.25 -4.93 115.64 110.12 1x5h s THR 88 Ca 0.02 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1x5h s THR 88 Cb -0.01 -0.37 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 1x5h s THR 88 CO 0.98 0.05 1.04 -0.70 -0.69 0.00 0.00 174.62 175.30 1x5h s GLU 89 N 1.01 4.26 -0.02 4.92 2.56 -1.26 -2.42 118.70 127.76 1x5h s GLU 89 Ca -0.07 1.52 -0.04 0.00 0.00 0.00 0.00 54.97 56.38 1x5h s GLU 89 Cb -0.09 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.42 1x5h s GLU 89 CO -0.07 -0.05 0.09 0.71 -0.56 0.00 0.00 175.26 175.38 1x5h s TYR 90 N -1.61 -0.03 -0.03 5.30 2.02 0.13 -4.04 117.35 119.10 1x5h s TYR 90 Ca 0.56 0.08 -0.03 0.00 -0.37 0.00 0.00 57.07 57.30 1x5h s TYR 90 Cb -0.22 -0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1x5h s TYR 90 CO 0.28 -0.12 0.17 -0.80 -1.57 0.00 0.00 175.55 173.52 1x5h s ASN 91 N -0.43 6.35 -0.01 2.29 -0.87 -0.62 0.02 114.94 121.68 1x5h s ASN 91 Ca -0.05 0.37 -0.02 0.00 -1.57 0.00 0.00 52.86 51.59 1x5h s ASN 91 Cb -0.03 -2.01 -0.00 0.00 -0.02 0.00 0.00 41.25 39.19 1x5h s ASN 91 CO 0.00 0.29 0.04 -0.36 -2.57 0.00 0.00 177.10 174.50 1x5h s PHE 92 N -1.26 0.02 -0.10 2.20 0.40 -0.59 -2.04 117.98 116.61 1x5h s PHE 92 Ca 0.25 -0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.50 1x5h s PHE 92 Cb -0.12 -0.03 0.05 0.00 0.51 0.00 0.00 43.02 43.42 1x5h s PHE 92 CO 0.16 -0.08 0.21 -0.98 0.70 0.00 0.00 175.22 175.23 1x5h s ARG 93 N -0.41 0.13 -0.15 0.44 1.70 -0.31 -1.77 118.95 118.58 1x5h s ARG 93 Ca -0.05 0.58 -0.06 0.00 -0.47 0.00 0.00 55.73 55.73 1x5h s ARG 93 Cb -0.03 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.17 1x5h s ARG 93 CO -0.00 -0.23 0.07 0.08 -1.08 0.00 0.00 175.30 174.14 1x5h s VAL 94 N 1.84 4.88 0.08 4.99 1.01 -1.26 -1.89 120.40 130.04 1x5h s VAL 94 Ca -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1x5h s VAL 94 Cb -0.11 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1x5h s VAL 94 CO -0.07 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.43 1x5h s ALA 95 N -0.26 1.12 -0.01 5.51 0.00 -0.85 -0.24 121.76 127.02 1x5h s ALA 95 Ca 0.08 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1x5h s ALA 95 Cb -0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1x5h s ALA 95 CO 0.01 0.09 0.28 0.00 0.00 0.00 0.00 175.76 176.14 1x5h s ALA 96 N -1.66 3.82 -0.11 0.00 0.00 -1.13 -0.05 121.76 122.63 1x5h s ALA 96 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1x5h s ALA 96 Cb -0.08 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 1x5h s ALA 96 CO 0.02 0.61 -0.21 -0.51 0.00 0.00 0.00 175.76 175.66 1x5h s LEU 97 N -1.50 2.24 0.42 0.00 1.43 0.27 0.84 118.68 122.38 1x5h s LEU 97 Ca 0.25 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1x5h s LEU 97 Cb -0.14 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1x5h s LEU 97 CO 0.13 0.16 0.12 0.42 0.23 0.00 0.00 176.35 177.41 1x5h s THR 98 N 0.36 0.64 0.56 5.49 -4.23 -0.99 -0.65 115.64 116.82 1x5h s THR 98 Ca -0.17 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.71 1x5h s THR 98 Cb -0.17 -2.33 0.39 0.00 1.34 0.00 0.00 72.50 71.73 1x5h s THR 98 CO 0.08 0.00 2.27 -0.29 -0.54 0.00 0.00 174.62 176.13 1x5h h ILE 99 N 1.75 0.24 0.00 2.99 2.10 -1.96 0.17 117.51 122.80 1x5h h ILE 99 Ca -0.36 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1x5h h ILE 99 Cb 1.28 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 1x5h h ILE 99 CO 0.58 0.02 0.00 0.59 -1.08 0.00 0.00 178.15 178.25 1x5h n ASN 100 N -3.39 0.57 0.00 2.19 3.02 -1.26 -5.00 115.26 111.39 1x5h n ASN 100 Ca -0.03 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1x5h n ASN 100 Cb 0.12 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.70 0.44 3.75 7.41 0.00 0.05 -4.26 105.19 113.28 1x5h n GLY 101 Ca 0.04 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1x5h n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 102 N 0.00 4.50 0.17 2.61 2.01 -1.26 -2.36 115.64 121.31 1x5h s THR 102 Ca 0.00 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1x5h s THR 102 Cb 0.00 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.44 1x5h s THR 102 CO 0.00 0.27 0.17 0.61 -0.69 0.00 0.00 174.62 174.98 1x5h n GLY 103 N 0.95 2.55 3.77 4.40 0.00 0.25 -4.19 105.19 112.91 1x5h n GLY 103 Ca -0.12 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.72 2.44 0.01 1.61 0.04 -1.25 -4.55 135.00 130.58 1x5h s PRO 104 Ca 0.13 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1x5h s PRO 104 Cb -0.01 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1x5h s PRO 104 CO 0.08 -1.51 -0.26 0.00 0.04 0.00 0.00 177.00 175.36 1x5h s ALA 105 N -2.71 2.23 0.52 8.56 0.00 -1.26 -2.85 121.76 126.26 1x5h s ALA 105 Ca 0.63 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 1x5h s ALA 105 Cb -0.18 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 1x5h s ALA 105 CO 0.51 0.53 1.25 0.95 0.00 0.00 0.00 175.76 179.00 1x5h s THR 106 N -0.71 2.60 0.20 0.00 -4.23 0.67 -4.91 115.64 109.26 1x5h s THR 106 Ca 0.11 0.44 -0.32 0.00 -1.18 0.00 0.00 61.69 60.73 1x5h s THR 106 Cb -0.10 -3.21 -0.15 0.00 1.34 0.00 0.00 72.50 70.38 1x5h s THR 106 CO 0.01 -0.02 1.31 0.47 -0.54 0.00 0.00 174.62 175.84 1x5h n ASP 107 N -0.93 2.12 -4.36 3.99 8.00 -1.26 -4.47 116.55 119.65 1x5h n ASP 107 Ca 0.10 1.14 -0.54 0.00 0.71 0.00 0.00 54.79 56.19 1x5h n ASP 107 Cb 0.47 -1.33 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 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 1.82 1.36 -3.59 1.24 7.02 -1.26 -4.84 117.44 119.20 1x5h n TRP 108 Ca 0.14 0.50 -0.40 0.00 -1.02 0.00 0.00 57.50 56.71 1x5h n TRP 108 Cb 0.28 -2.42 -0.11 0.00 -2.42 0.00 0.00 31.31 26.64 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 6.87 4.48 0.30 -0.99 2.96 -0.73 -4.90 118.68 126.68 1x5h s LEU 109 Ca 1.15 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 54.21 1x5h s LEU 109 Cb -1.15 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 43.39 1x5h s LEU 109 CO 0.56 -0.28 0.78 -0.44 -1.32 0.00 0.00 176.35 175.65 1x5h s SER 110 N 1.63 6.95 -0.10 3.68 0.01 -1.26 -1.55 113.70 123.07 1x5h s SER 110 Ca 0.04 1.43 -0.05 0.00 1.31 0.00 0.00 55.95 58.68 1x5h s SER 110 Cb -0.18 -2.43 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1x5h s SER 110 CO 0.08 -0.12 0.23 0.00 0.41 0.00 0.00 173.24 173.83 1x5h s ALA 111 N -1.80 -0.52 -0.35 1.44 0.00 0.10 -4.92 121.76 115.71 1x5h s ALA 111 Ca 0.51 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1x5h s ALA 111 Cb -0.13 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1x5h s ALA 111 CO 0.19 -0.18 0.23 -2.00 0.00 0.00 0.00 175.76 174.00 1x5h s GLU 112 N 1.07 3.29 1.19 0.00 2.12 -1.26 0.23 118.70 125.34 1x5h s GLU 112 Ca -0.08 -0.78 -0.13 0.00 0.36 0.00 0.00 54.97 54.34 1x5h s GLU 112 Cb -0.09 -3.77 0.29 0.00 0.26 0.00 0.00 34.13 30.81 1x5h s GLU 112 CO -0.07 -0.52 0.92 0.25 -0.54 0.00 0.00 175.26 175.30 1x5h n THR 113 N 5.08 0.00 -2.49 -1.70 -2.24 -1.01 -4.89 114.28 107.03 1x5h n THR 113 Ca -0.12 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1x5h n THR 113 Cb 0.49 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.37 2.92 0.62 4.78 0.08 -1.26 -3.83 117.98 118.91 1x5h s PHE 114 Ca 0.68 1.07 0.22 0.00 0.12 0.00 0.00 56.93 59.02 1x5h s PHE 114 Cb -0.25 -3.58 0.83 0.00 -0.57 0.00 0.00 43.02 39.45 1x5h s PHE 114 CO 0.66 -1.40 1.33 0.93 -0.10 0.00 0.00 175.22 176.64 1x5h h GLU 115 N 8.33 0.00 -3.98 0.44 5.08 -1.90 -3.12 114.58 119.43 1x5h h GLU 115 Ca -0.24 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.86 1x5h h GLU 115 Cb 1.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1x5h h GLU 115 CO 0.99 0.00 -0.12 -1.12 -1.00 0.00 0.00 179.01 177.77 1x5h s SER 116 N -3.59 0.89 -0.66 1.42 0.01 -1.26 -4.35 113.70 106.15 1x5h s SER 116 Ca -0.02 -1.48 -0.25 0.00 1.31 0.00 0.00 55.95 55.51 1x5h s SER 116 Cb 0.11 0.71 0.05 0.00 0.21 0.00 0.00 66.02 67.10 1x5h s SER 116 CO 0.38 -1.38 1.08 -1.81 0.41 0.00 0.00 173.24 171.92 1x5h s ASP 117 N -3.23 6.22 -0.27 2.44 1.01 -1.26 -4.73 116.67 116.84 1x5h s ASP 117 Ca 0.29 -0.62 0.01 0.00 0.71 0.00 0.00 52.55 52.94 1x5h s ASP 117 Cb -0.01 -2.48 0.08 0.00 1.01 0.00 0.00 42.92 41.52 1x5h s ASP 117 CO 0.20 -1.54 0.02 -0.22 0.21 0.00 0.00 175.17 173.83 1x5h s LEU 118 N 4.68 2.72 0.58 1.23 2.96 -1.26 -5.12 118.68 124.47 1x5h s LEU 118 Ca 0.29 -1.44 -0.19 0.00 -0.22 0.00 0.00 54.13 52.58 1x5h s LEU 118 Cb -0.12 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1x5h s LEU 118 CO 0.14 -0.32 1.15 1.51 -1.32 0.00 0.00 176.35 177.52 1x5h s ASP 119 N 1.42 5.44 -0.30 3.68 -4.77 -1.26 -5.01 116.67 115.87 1x5h s ASP 119 Ca 0.02 2.22 -0.12 0.00 -3.30 0.00 0.00 52.55 51.37 1x5h s ASP 119 Cb -0.18 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.03 1x5h s ASP 119 CO -0.12 -1.41 0.24 -0.70 0.70 0.00 0.00 175.17 173.88 1x5h s GLU 120 N -3.42 3.83 1.04 2.11 2.56 -1.26 -5.08 118.70 118.47 1x5h s GLU 120 Ca 0.73 -0.34 -0.16 0.00 0.00 0.00 0.00 54.97 55.20 1x5h s GLU 120 Cb -0.25 -3.70 0.22 0.00 2.00 0.00 0.00 34.13 32.39 1x5h s GLU 120 CO 0.31 -0.28 1.20 0.95 -0.56 0.00 0.00 175.26 176.88 1x5h s THR 121 N 1.82 1.85 0.20 -1.70 -4.23 -1.26 -5.10 115.64 107.22 1x5h s THR 121 Ca 0.08 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1x5h s THR 121 Cb -0.16 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1x5h s THR 121 CO 0.11 0.00 0.16 0.54 -0.54 0.00 0.00 174.62 174.89 1x5h n ARG 122 N -4.13 0.29 -3.82 3.99 1.74 -1.26 -5.17 116.66 108.31 1x5h n ARG 122 Ca 0.12 -1.97 -0.17 0.00 -0.77 0.00 0.00 57.85 55.07 1x5h n ARG 122 Cb 0.59 1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 33.42 1x5h n ARG 122 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x5h s VAL 123 N -2.76 0.05 1.23 1.55 0.11 -1.26 -5.16 120.40 114.16 1x5h s VAL 123 Ca 0.22 0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.27 1x5h s VAL 123 Cb 0.01 -0.19 0.30 0.00 -1.53 0.00 0.00 36.38 34.97 1x5h s VAL 123 CO 0.16 0.13 1.11 -2.16 -3.33 0.00 0.00 175.10 171.01 1x5h s PRO 124 N 1.28 -1.44 -0.38 1.54 0.04 -1.26 -5.03 135.00 129.75 1x5h s PRO 124 Ca -0.06 -0.14 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 1x5h s PRO 124 Cb -0.13 -1.58 0.10 0.00 0.04 0.00 0.00 34.50 32.93 1x5h s PRO 124 CO -0.03 -3.84 0.14 -2.00 0.04 0.00 0.00 177.00 171.31 1x5h s GLU 125 N -5.47 1.88 0.12 4.56 2.56 -1.26 -5.08 118.70 116.02 1x5h s GLU 125 Ca 0.72 -1.79 -0.20 0.00 0.00 0.00 0.00 54.97 53.69 1x5h s GLU 125 Cb -0.08 -3.43 -0.12 0.00 2.00 0.00 0.00 34.13 32.49 1x5h s GLU 125 CO 0.56 -0.99 0.40 0.28 -0.56 0.00 0.00 175.26 174.95 1x5h n VAL 126 N 4.49 1.23 -0.74 3.70 0.31 -1.26 -4.82 118.33 121.24 1x5h n VAL 126 Ca -0.01 -0.31 -0.33 0.00 -0.01 0.00 0.00 64.34 63.68 1x5h n VAL 126 Cb 0.42 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.49 1x5h n VAL 126 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1x5h n SER 127 N 1.35 -2.24 -0.80 4.52 7.64 -1.26 -5.03 113.62 117.80 1x5h n SER 127 Ca 0.13 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x5h n SER 127 Cb 0.16 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1x5h n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5h n GLY 128 N 1.75 1.29 0.00 0.23 0.00 -1.26 -5.12 105.19 102.08 1x5h n GLY 128 Ca 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1x5h n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5h n PRO 129 N 0.00 -0.19 -4.59 1.61 -0.04 -1.26 -5.10 135.00 125.43 1x5h n PRO 129 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1x5h n PRO 129 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1x5h n PRO 129 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5h s SER 130 N -1.51 3.23 0.89 3.54 0.15 -1.26 -5.15 113.70 113.58 1x5h s SER 130 Ca 0.00 -1.62 -0.12 0.00 0.70 0.00 0.00 55.95 54.91 1x5h s SER 130 Cb 0.00 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.83 1x5h s SER 130 CO 0.00 -0.84 1.12 -0.44 1.20 0.00 0.00 173.24 174.28 1x5h s SER 131 N -3.68 3.68 0.00 5.45 0.01 -1.26 -5.36 113.70 112.53 1x5h s SER 131 Ca 0.20 1.09 0.28 0.00 1.31 0.00 0.00 55.95 58.83 1x5h s SER 131 Cb 0.03 -1.71 1.03 0.00 0.21 0.00 0.00 66.02 65.58 1x5h s SER 131 CO 0.11 -2.46 1.74 0.61 0.41 0.00 0.00 173.24 173.65