#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 2.16 0.35 1.61 1.04 -1.26 -5.17 113.70 112.43 1x5h s SER 2 Ca 0.00 -1.54 0.08 0.00 0.48 0.00 0.00 55.95 54.97 1x5h s SER 2 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1x5h s SER 2 CO 0.00 -0.83 0.16 -0.44 0.98 0.00 0.00 173.24 173.11 1x5h s SER 3 N -3.48 4.66 0.00 7.02 0.01 -1.26 -5.11 113.70 115.54 1x5h s SER 3 Ca 0.32 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1x5h s SER 3 Cb 0.05 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1x5h s SER 3 CO 0.16 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1x5h n GLY 4 N -1.18 2.21 0.12 3.44 0.00 -1.26 -5.08 105.19 103.45 1x5h n GLY 4 Ca -0.02 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1x5h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5h n SER 5 N 0.00 1.93 -3.55 1.61 7.64 -1.26 -5.09 113.62 114.91 1x5h n SER 5 Ca 0.00 0.34 -0.01 0.00 1.01 0.00 0.00 58.87 60.21 1x5h n SER 5 Cb 0.00 -0.86 0.01 0.00 -1.01 0.00 0.00 64.21 62.35 1x5h n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5h s SER 6 N -7.12 -0.01 0.00 6.43 0.01 -1.26 -5.09 113.70 106.66 1x5h s SER 6 Ca -0.33 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x5h s SER 6 Cb 0.10 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1x5h s SER 6 CO 0.56 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1x5h n GLY 7 N -0.72 0.00 3.09 3.44 0.00 -1.26 -5.10 105.19 104.64 1x5h n GLY 7 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1x5h n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x5h s ASP 8 N 0.00 5.85 -0.20 1.61 2.15 -1.26 -5.04 116.67 119.78 1x5h s ASP 8 Ca 0.00 -3.68 -0.04 0.00 0.43 0.00 0.00 52.55 49.26 1x5h s ASP 8 Cb 0.00 -1.88 -0.01 0.00 -0.30 0.00 0.00 42.92 40.73 1x5h s ASP 8 CO 0.00 -0.18 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.08 1x5h s VAL 9 N -1.28 3.49 -0.30 1.11 1.01 -1.26 -5.06 120.40 118.10 1x5h s VAL 9 Ca 0.27 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1x5h s VAL 9 Cb -0.08 -2.57 0.17 0.00 0.00 0.00 0.00 36.38 33.91 1x5h s VAL 9 CO -0.12 0.44 0.85 0.00 0.00 0.00 0.00 175.10 176.26 1x5h s ALA 10 N 1.19 -2.69 -0.30 5.51 0.00 -1.26 -5.15 121.76 119.06 1x5h s ALA 10 Ca 0.02 1.86 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 1x5h s ALA 10 Cb -0.14 -2.17 0.15 0.00 0.00 0.00 0.00 23.12 20.95 1x5h s ALA 10 CO -0.01 -1.20 0.82 0.54 0.00 0.00 0.00 175.76 175.91 1x5h s VAL 11 N 2.77 -0.74 -0.09 0.00 0.11 -1.26 -5.16 120.40 116.04 1x5h s VAL 11 Ca 0.04 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1x5h s VAL 11 Cb -0.11 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1x5h s VAL 11 CO -0.17 0.00 0.18 -0.13 -3.33 0.00 0.00 175.10 171.66 1x5h s ARG 12 N 2.65 0.10 -0.02 1.54 0.52 -1.26 -5.15 118.95 117.33 1x5h s ARG 12 Ca -0.04 0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 55.50 1x5h s ARG 12 Cb -0.09 -0.18 0.03 0.00 0.52 0.00 0.00 34.95 35.23 1x5h s ARG 12 CO -0.18 -0.22 0.37 0.95 0.02 0.00 0.00 175.30 176.23 1x5h s THR 13 N 1.69 0.05 -0.12 0.02 -4.23 -1.26 -5.17 115.64 106.63 1x5h s THR 13 Ca -0.04 -0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.01 1x5h s THR 13 Cb -0.12 -0.67 0.04 0.00 1.34 0.00 0.00 72.50 73.10 1x5h s THR 13 CO -0.07 -0.21 0.28 -0.76 -0.54 0.00 0.00 174.62 173.32 1x5h s LEU 14 N -1.26 0.51 0.01 4.79 1.02 -1.26 -5.16 118.68 117.33 1x5h s LEU 14 Ca -0.13 0.60 -0.29 0.00 0.02 0.00 0.00 54.13 54.33 1x5h s LEU 14 Cb -0.04 0.91 0.11 0.00 0.02 0.00 0.00 46.19 47.18 1x5h s LEU 14 CO 0.05 -0.15 1.25 -0.94 0.02 0.00 0.00 176.35 176.58 1x5h s SER 15 N 0.90 -0.05 -0.10 2.29 1.04 -1.26 -5.02 113.70 111.51 1x5h s SER 15 Ca -0.06 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 1x5h s SER 15 Cb -0.07 0.21 -0.10 0.00 0.10 0.00 0.00 66.02 66.15 1x5h s SER 15 CO -0.06 -0.39 2.91 0.47 0.98 0.00 0.00 173.24 177.15 1x5h n ASP 16 N -0.67 5.57 -4.90 7.02 9.92 -1.26 -4.91 116.55 127.32 1x5h n ASP 16 Ca -0.05 -2.63 -0.29 0.00 -0.53 0.00 0.00 54.79 51.29 1x5h n ASP 16 Cb 0.62 -1.28 -0.04 0.00 -0.64 0.00 0.00 41.12 39.78 1x5h n ASP 16 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1x5h s VAL 17 N -0.07 5.05 -1.07 2.53 -7.23 -1.26 -4.68 120.40 113.66 1x5h s VAL 17 Ca 0.45 0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 1x5h s VAL 17 Cb 0.24 -3.71 -0.07 0.00 0.56 0.00 0.00 36.38 33.40 1x5h s VAL 17 CO -0.03 -0.25 1.94 -2.16 -0.31 0.00 0.00 175.10 174.29 1x5h s PRO 18 N -3.37 2.51 -0.89 4.82 0.04 -1.26 -4.82 135.00 132.04 1x5h s PRO 18 Ca 0.43 -0.82 -0.20 0.00 0.04 0.00 0.00 61.00 60.46 1x5h s PRO 18 Cb -0.11 -5.17 -0.12 0.00 0.04 0.00 0.00 34.50 29.14 1x5h s PRO 18 CO 0.28 -3.75 1.99 -1.13 0.04 0.00 0.00 177.00 174.43 1x5h n SER 19 N 14.25 2.89 -3.29 6.66 3.41 -1.26 -4.09 113.62 132.19 1x5h n SER 19 Ca 0.43 -2.68 0.03 0.00 -0.26 0.00 0.00 58.87 56.39 1x5h n SER 19 Cb 0.47 -1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.19 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5h s ALA 20 N 4.62 -2.88 0.54 7.33 0.00 -1.26 -4.92 121.76 125.18 1x5h s ALA 20 Ca 0.55 1.83 0.01 0.00 0.00 0.00 0.00 51.96 54.34 1x5h s ALA 20 Cb 0.14 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1x5h s ALA 20 CO 0.08 -1.17 0.76 0.00 0.00 0.00 0.00 175.76 175.43 1x5h s ALA 21 N 2.68 3.84 0.58 0.00 0.00 -1.26 -4.61 121.76 122.99 1x5h s ALA 21 Ca 0.01 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 1x5h s ALA 21 Cb -0.09 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1x5h s ALA 21 CO -0.16 -0.69 1.12 -1.25 0.00 0.00 0.00 175.76 174.78 1x5h s PRO 22 N -4.74 3.18 0.51 0.00 0.04 -1.26 -4.28 135.00 128.45 1x5h s PRO 22 Ca 0.56 1.55 0.03 0.00 0.04 0.00 0.00 61.00 63.17 1x5h s PRO 22 Cb -0.10 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1x5h s PRO 22 CO 0.39 -0.98 0.14 1.14 0.04 0.00 0.00 177.00 177.72 1x5h s GLN 23 N -3.54 2.20 -1.64 4.56 -2.07 -0.71 -4.69 119.66 113.76 1x5h s GLN 23 Ca 0.71 -2.23 0.00 0.00 -1.82 0.00 0.00 55.36 52.02 1x5h s GLN 23 Cb -0.23 -1.74 0.00 0.00 -1.09 0.00 0.00 33.01 29.95 1x5h s GLN 23 CO 0.32 -0.40 0.00 0.09 -1.32 0.00 0.00 175.29 173.98 1x5h n ASN 24 N -1.39 -5.27 -4.70 12.60 3.02 -1.26 -1.41 115.26 116.85 1x5h n ASN 24 Ca -0.12 0.11 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 1x5h n ASN 24 Cb 0.66 -4.46 0.05 0.00 -0.61 0.00 0.00 39.78 35.42 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1x5h n LEU 25 N -2.83 4.93 -3.53 3.41 7.94 -1.26 -4.54 117.00 121.11 1x5h n LEU 25 Ca -0.21 0.93 -0.10 0.00 -1.11 0.00 0.00 56.01 55.52 1x5h n LEU 25 Cb 0.66 -1.51 -0.02 0.00 0.53 0.00 0.00 43.42 43.07 1x5h n LEU 25 CO 0.26 -1.00 0.51 -0.44 -1.11 0.00 0.00 177.39 175.61 1x5h s SER 26 N -1.03 -0.44 -0.31 1.96 0.01 0.15 -4.98 113.70 109.07 1x5h s SER 26 Ca 0.73 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.85 1x5h s SER 26 Cb -0.43 0.56 0.10 0.00 0.21 0.00 0.00 66.02 66.46 1x5h s SER 26 CO 0.48 -0.93 0.12 -0.76 0.41 0.00 0.00 173.24 172.55 1x5h s LEU 27 N -2.72 1.65 -1.05 2.44 1.43 -1.26 -0.71 118.68 118.46 1x5h s LEU 27 Ca 0.04 -1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 51.38 1x5h s LEU 27 Cb -0.02 -0.68 0.10 0.00 0.03 0.00 0.00 46.19 45.62 1x5h s LEU 27 CO -0.08 -0.42 1.36 -0.70 0.23 0.00 0.00 176.35 176.74 1x5h s GLU 28 N 1.72 3.72 -0.38 1.70 2.56 0.23 -4.88 118.70 123.37 1x5h s GLU 28 Ca 0.10 -1.69 -0.33 0.00 0.00 0.00 0.00 54.97 53.05 1x5h s GLU 28 Cb -0.17 -5.17 -0.11 0.00 2.00 0.00 0.00 34.13 30.68 1x5h s GLU 28 CO -0.28 -1.98 2.24 0.28 -0.56 0.00 0.00 175.26 174.96 1x5h n VAL 29 N 5.96 0.17 -0.04 3.70 0.31 -1.26 -1.70 118.33 125.47 1x5h n VAL 29 Ca 0.32 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1x5h n VAL 29 Cb 0.48 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.53 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 13.40 -0.04 -4.76 5.55 2.47 -1.82 -3.46 114.38 125.71 1x5h h ARG 30 Ca -0.27 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.10 1x5h h ARG 30 Cb 1.30 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.49 1x5h h ARG 30 CO 1.04 0.49 -0.58 -0.80 0.56 0.00 0.00 179.97 180.69 1x5h s ASN 31 N -5.83 0.93 0.29 7.04 0.01 0.36 -4.98 114.94 112.76 1x5h s ASN 31 Ca -0.11 -1.51 0.24 0.00 -0.71 0.00 0.00 52.86 50.77 1x5h s ASN 31 Cb -0.01 0.40 1.05 0.00 0.41 0.00 0.00 41.25 43.10 1x5h s ASN 31 CO 0.41 -0.89 1.72 -1.54 -1.51 0.00 0.00 177.10 175.29 1x5h n SER 32 N -0.73 0.69 0.00 -1.22 3.41 -1.26 -2.03 113.62 112.48 1x5h n SER 32 Ca 0.03 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1x5h n SER 32 Cb 0.65 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1x5h n SER 32 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1x5h n LYS 33 N -2.29 2.23 -3.77 4.33 2.85 -1.26 -2.88 118.16 117.38 1x5h n LYS 33 Ca 0.01 -1.30 -0.13 0.00 -1.05 0.00 0.00 58.31 55.84 1x5h n LYS 33 Cb 0.19 -0.99 -0.11 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.80 -0.30 -0.07 -5.58 0.01 -0.86 -0.30 113.70 105.80 1x5h s SER 34 Ca 0.00 0.58 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 1x5h s SER 34 Cb 0.00 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.83 1x5h s SER 34 CO 0.00 -0.10 -0.02 -0.63 0.41 0.00 0.00 173.24 172.89 1x5h s ILE 35 N 0.24 0.52 -0.00 1.44 1.01 -1.09 -0.49 121.20 122.82 1x5h s ILE 35 Ca -0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.38 1x5h s ILE 35 Cb -0.03 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1x5h s ILE 35 CO -0.00 0.27 0.80 -0.32 0.00 0.00 0.00 174.94 175.68 1x5h s MET 36 N 1.67 4.50 -0.10 2.79 -2.45 -0.69 -2.37 119.30 122.66 1x5h s MET 36 Ca 0.01 1.09 -0.04 0.00 -1.25 0.00 0.00 55.69 55.50 1x5h s MET 36 Cb -0.13 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 32.50 1x5h s MET 36 CO -0.04 0.13 0.06 0.42 1.05 0.00 0.00 175.02 176.64 1x5h s ILE 37 N 0.49 4.83 -0.13 10.11 1.01 0.56 0.76 121.20 138.83 1x5h s ILE 37 Ca 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 1x5h s ILE 37 Cb -0.20 -3.07 0.04 0.00 0.01 0.00 0.00 42.46 39.25 1x5h s ILE 37 CO 0.23 0.61 0.02 -1.00 0.00 0.00 0.00 174.94 174.79 1x5h s HIS 38 N -0.95 0.85 0.08 3.97 3.76 0.11 -2.51 115.29 120.60 1x5h s HIS 38 Ca 0.14 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1x5h s HIS 38 Cb -0.12 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 1x5h s HIS 38 CO 0.03 -0.47 -0.08 1.67 -0.85 0.00 0.00 174.74 175.05 1x5h s TRP 39 N 1.92 0.85 0.16 1.40 -2.14 -0.32 0.33 118.94 121.13 1x5h s TRP 39 Ca 0.02 -0.74 0.09 0.00 2.66 0.00 0.00 56.10 58.14 1x5h s TRP 39 Cb -0.15 -0.49 -0.04 0.00 -3.10 0.00 0.00 33.47 29.69 1x5h s TRP 39 CO -0.07 -0.10 -0.15 -0.65 -2.66 0.00 0.00 176.95 173.32 1x5h s GLN 40 N -2.92 1.86 0.44 3.25 -1.52 -0.50 -4.65 119.66 115.62 1x5h s GLN 40 Ca 0.04 -1.28 -0.24 0.00 -1.95 0.00 0.00 55.36 51.93 1x5h s GLN 40 Cb -0.01 -2.09 -0.08 0.00 -0.22 0.00 0.00 33.01 30.61 1x5h s GLN 40 CO -0.02 0.45 1.18 -1.25 -0.25 0.00 0.00 175.29 175.39 1x5h s PRO 41 N -2.54 3.86 0.97 2.91 0.04 -1.26 -1.74 135.00 137.23 1x5h s PRO 41 Ca 0.22 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1x5h s PRO 41 Cb -0.09 -2.51 0.17 0.00 0.04 0.00 0.00 34.50 32.11 1x5h s PRO 41 CO 0.12 -0.48 1.09 -1.25 0.04 0.00 0.00 177.00 176.53 1x5h s PRO 42 N -2.55 0.65 0.71 0.56 0.04 -1.26 -4.56 135.00 128.59 1x5h s PRO 42 Ca 0.61 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.09 1x5h s PRO 42 Cb -0.30 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1x5h s PRO 42 CO 0.37 -2.60 1.17 0.00 0.04 0.00 0.00 177.00 175.97 1x5h n ALA 43 N -4.10 0.41 -0.09 8.56 0.00 -1.26 -4.86 120.51 119.18 1x5h n ALA 43 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1x5h n ALA 43 Cb 0.57 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.10 0.83 -0.99 0.00 0.13 -1.94 -2.32 132.00 127.61 1x5h h PRO 44 Ca -0.49 -0.44 0.10 0.00 -0.87 0.00 0.00 66.00 64.30 1x5h h PRO 44 Cb 1.33 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.40 1x5h h PRO 44 CO 0.49 1.08 0.63 0.00 -0.23 0.00 0.00 178.00 179.97 1x5h h ALA 45 N 0.86 1.50 0.01 -0.56 0.00 -2.05 -2.83 119.26 116.19 1x5h h ALA 45 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x5h h ALA 45 Cb 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x5h h ALA 45 CO 0.09 0.30 -0.00 1.79 0.00 0.00 0.00 179.25 181.42 1x5h h THR 46 N 1.05 1.60 -0.84 0.00 1.35 -1.93 -3.44 112.91 110.70 1x5h h THR 46 Ca 0.47 -1.90 -0.63 0.00 -0.55 0.00 0.00 66.41 63.79 1x5h h THR 46 Cb 0.37 2.87 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 1x5h h THR 46 CO -0.22 0.49 1.48 0.00 -0.25 0.00 0.00 175.52 177.01 1x5h n GLN 47 N -4.70 0.77 -1.21 4.72 6.02 -0.88 -4.61 117.38 117.49 1x5h n GLN 47 Ca -0.09 0.17 -0.20 0.00 -0.01 0.00 0.00 57.00 56.87 1x5h n GLN 47 Cb 0.39 -2.31 0.14 0.00 1.02 0.00 0.00 30.24 29.48 1x5h n GLN 47 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x5h n ASN 48 N 10.35 4.36 -3.66 1.08 0.23 -1.26 -4.93 115.26 121.43 1x5h n ASN 48 Ca 0.46 -3.74 0.02 0.00 -0.53 0.00 0.00 54.58 50.79 1x5h n ASN 48 Cb 0.20 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 1x5h n ASN 48 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1x5h s GLY 49 N -2.16 -0.32 -0.30 4.83 0.00 -1.26 -4.79 107.32 103.33 1x5h s GLY 49 Ca 0.54 0.49 -0.21 0.00 0.00 0.00 0.00 44.72 45.54 1x5h s GLY 49 CO 0.03 1.65 0.64 1.62 0.00 0.00 0.00 173.10 177.04 1x5h s GLN 50 N -2.31 3.94 -0.21 2.90 -0.44 -1.26 -4.99 119.66 117.29 1x5h s GLN 50 Ca 0.18 0.36 -0.29 0.00 -2.50 0.00 0.00 55.36 53.12 1x5h s GLN 50 Cb 0.03 -3.71 -0.03 0.00 -1.64 0.00 0.00 33.01 27.66 1x5h s GLN 50 CO -0.03 -0.55 1.70 0.42 0.50 0.00 0.00 175.29 177.33 1x5h s ILE 51 N 2.62 3.58 -0.13 -2.34 1.01 -1.26 -3.68 121.20 120.99 1x5h s ILE 51 Ca 0.26 0.65 0.20 0.00 0.00 0.00 0.00 60.65 61.76 1x5h s ILE 51 Cb -0.15 -3.60 -0.18 0.00 0.01 0.00 0.00 42.46 38.54 1x5h s ILE 51 CO 0.11 -0.26 0.66 0.35 0.00 0.00 0.00 174.94 175.81 1x5h n THR 52 N 6.53 0.70 0.00 2.92 -2.24 -0.27 -4.65 114.28 117.26 1x5h n THR 52 Ca 0.20 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1x5h n THR 52 Cb 0.45 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1x5h n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5h n GLY 53 N 1.35 0.96 3.53 3.38 0.00 -1.24 -2.12 105.19 111.06 1x5h n GLY 53 Ca -0.09 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 1x5h n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5h s TYR 54 N -2.00 2.44 -0.19 1.61 1.51 -1.25 -0.44 117.35 119.03 1x5h s TYR 54 Ca 0.00 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1x5h s TYR 54 Cb 0.00 -1.07 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1x5h s TYR 54 CO 0.00 0.68 -0.17 0.15 -1.11 0.00 0.00 175.55 175.09 1x5h s LYS 55 N -3.54 2.75 -0.42 -0.62 1.02 0.12 -2.01 119.74 117.03 1x5h s LYS 55 Ca 0.30 -0.87 -0.11 0.00 0.02 0.00 0.00 55.97 55.31 1x5h s LYS 55 Cb -0.06 -2.55 0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1x5h s LYS 55 CO 0.17 -0.28 0.29 0.42 -0.92 0.00 0.00 175.35 175.03 1x5h s ILE 56 N 1.29 4.58 -0.17 2.17 1.01 0.26 -1.24 121.20 129.10 1x5h s ILE 56 Ca 0.03 -1.20 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 1x5h s ILE 56 Cb -0.14 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1x5h s ILE 56 CO -0.11 -0.47 0.05 -0.13 0.00 0.00 0.00 174.94 174.27 1x5h s ARG 57 N 1.51 3.88 0.06 2.79 0.52 -0.50 -2.46 118.95 124.75 1x5h s ARG 57 Ca 0.03 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1x5h s ARG 57 Cb -0.23 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 1x5h s ARG 57 CO 0.04 0.31 -0.07 1.52 0.02 0.00 0.00 175.30 177.13 1x5h s TYR 58 N 0.24 0.71 0.30 -0.53 1.13 -1.18 -1.49 117.35 116.53 1x5h s TYR 58 Ca 0.03 -0.67 -0.00 0.00 -1.41 0.00 0.00 57.07 55.02 1x5h s TYR 58 Cb -0.12 -0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 40.29 1x5h s TYR 58 CO 0.01 -0.13 0.33 -0.98 -2.51 0.00 0.00 175.55 172.27 1x5h s ARG 59 N -2.43 1.66 -0.23 -3.49 1.70 -0.93 -2.26 118.95 112.97 1x5h s ARG 59 Ca -0.02 -1.76 -0.10 0.00 -0.47 0.00 0.00 55.73 53.38 1x5h s ARG 59 Cb -0.04 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 1x5h s ARG 59 CO -0.02 -0.64 0.13 0.15 -1.08 0.00 0.00 175.30 173.84 1x5h s LYS 60 N -3.54 4.00 0.31 3.89 1.02 -1.17 -2.19 119.74 122.06 1x5h s LYS 60 Ca 0.35 -0.31 0.13 0.00 0.02 0.00 0.00 55.97 56.16 1x5h s LYS 60 Cb 0.02 -3.45 1.03 0.00 -0.52 0.00 0.00 37.83 34.91 1x5h s LYS 60 CO 0.20 0.06 1.39 0.00 -0.92 0.00 0.00 175.35 176.08 1x5h n ALA 61 N 4.25 0.77 0.08 5.17 0.00 -1.22 -0.23 120.51 129.33 1x5h n ALA 61 Ca -0.15 0.92 -0.10 0.00 0.00 0.00 0.00 53.44 54.10 1x5h n ALA 61 Cb 0.52 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1x5h n ALA 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x5h h SER 62 N 0.00 -0.23 -3.54 0.00 0.87 -1.93 -3.39 113.55 105.33 1x5h h SER 62 Ca 0.68 -0.27 -0.74 0.00 -1.23 0.00 0.00 61.79 60.24 1x5h h SER 62 Cb 1.71 0.06 -0.32 0.00 -0.44 0.00 0.00 62.40 63.41 1x5h h SER 62 CO -0.73 0.30 0.05 -0.60 -0.53 0.00 0.00 176.83 175.32 1x5h s ARG 63 N -3.31 3.50 0.00 2.24 6.06 0.69 -4.87 118.95 123.25 1x5h s ARG 63 Ca -0.11 -3.11 -0.21 0.00 -2.50 0.00 0.00 55.73 49.80 1x5h s ARG 63 Cb 0.00 -4.15 -0.19 0.00 0.06 0.00 0.00 34.95 30.67 1x5h s ARG 63 CO 0.41 -1.25 1.19 0.87 -2.50 0.00 0.00 175.30 174.02 1x5h h LYS 64 N 6.47 0.32 -0.93 5.12 1.57 -1.58 -3.08 116.57 124.46 1x5h h LYS 64 Ca 0.14 -0.25 0.36 0.00 -1.87 0.00 0.00 60.65 59.03 1x5h h LYS 64 Cb 0.87 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.06 1x5h h LYS 64 CO 0.87 0.89 0.41 0.43 -0.57 0.00 0.00 179.45 181.48 1x5h n SER 65 N -4.45 0.24 -4.59 0.86 7.64 -1.26 -3.81 113.62 108.25 1x5h n SER 65 Ca -0.08 1.55 -0.43 0.00 1.01 0.00 0.00 58.87 60.92 1x5h n SER 65 Cb 0.48 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 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 -4.64 6.60 0.15 6.43 2.15 -1.22 -5.02 116.67 121.11 1x5h s ASP 66 Ca -0.09 0.36 0.09 0.00 0.43 0.00 0.00 52.55 53.34 1x5h s ASP 66 Cb 0.31 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1x5h s ASP 66 CO 0.72 -1.05 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.79 1x5h s VAL 67 N 3.87 1.89 0.07 1.11 1.01 -1.25 -4.29 120.40 122.81 1x5h s VAL 67 Ca 0.41 -1.85 0.09 0.00 0.00 0.00 0.00 61.98 60.63 1x5h s VAL 67 Cb -0.10 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1x5h s VAL 67 CO 0.25 -0.22 -0.25 -0.89 0.00 0.00 0.00 175.10 174.00 1x5h s THR 68 N -1.77 2.33 -0.08 3.92 2.01 -0.96 -4.99 115.64 116.10 1x5h s THR 68 Ca 0.14 -1.46 -0.02 0.00 0.31 0.00 0.00 61.69 60.66 1x5h s THR 68 Cb -0.07 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1x5h s THR 68 CO 0.07 0.27 0.01 -0.70 -0.69 0.00 0.00 174.62 173.58 1x5h s GLU 69 N -1.55 3.00 -0.21 4.92 2.12 -1.26 -3.08 118.70 122.64 1x5h s GLU 69 Ca 0.13 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1x5h s GLU 69 Cb -0.10 -2.81 0.09 0.00 0.26 0.00 0.00 34.13 31.57 1x5h s GLU 69 CO 0.04 0.71 0.18 0.99 -0.54 0.00 0.00 175.26 176.63 1x5h s THR 70 N -0.90 -0.23 0.14 -1.70 2.01 -1.03 -4.98 115.64 108.96 1x5h s THR 70 Ca 0.14 -0.25 -0.10 0.00 0.31 0.00 0.00 61.69 61.78 1x5h s THR 70 Cb -0.11 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 1x5h s THR 70 CO 0.03 -0.32 0.48 -0.22 -0.69 0.00 0.00 174.62 173.89 1x5h s LEU 71 N 2.24 4.29 0.00 4.42 2.96 -1.26 -0.58 118.68 130.75 1x5h s LEU 71 Ca 0.06 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1x5h s LEU 71 Cb -0.16 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 1x5h s LEU 71 CO -0.16 0.07 0.13 1.33 -1.32 0.00 0.00 176.35 176.40 1x5h n VAL 72 N 0.51 0.00 -2.33 1.68 0.24 -0.85 -4.98 118.33 112.59 1x5h n VAL 72 Ca -0.04 -2.29 -0.33 0.00 -2.04 0.00 0.00 64.34 59.63 1x5h n VAL 72 Cb 0.52 0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 33.67 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 -3.43 6.16 0.55 -1.34 0.15 -1.26 -3.75 113.70 110.78 1x5h s SER 73 Ca 0.19 1.84 0.23 0.00 0.70 0.00 0.00 55.95 58.90 1x5h s SER 73 Cb 0.01 -2.54 1.52 0.00 -1.71 0.00 0.00 66.02 63.30 1x5h s SER 73 CO 0.13 -0.91 2.19 1.23 1.20 0.00 0.00 173.24 177.08 1x5h h GLY 74 N 1.04 0.00 -2.73 9.45 0.00 -1.69 -0.25 103.07 108.89 1x5h h GLY 74 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1x5h h GLY 74 CO 0.59 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.76 1x5h n THR 75 N -4.16 1.52 -3.50 4.70 5.66 -1.26 -4.76 114.28 112.47 1x5h n THR 75 Ca -0.03 -1.01 -0.37 0.00 -3.05 0.00 0.00 64.05 59.59 1x5h n THR 75 Cb 0.10 0.11 -0.08 0.00 -1.55 0.00 0.00 70.33 68.91 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 -1.74 4.14 0.00 1.09 0.74 -0.10 -4.94 119.66 118.85 1x5h s GLN 76 Ca 0.45 0.02 0.08 0.00 0.05 0.00 0.00 55.36 55.95 1x5h s GLN 76 Cb 0.28 -3.53 0.19 0.00 1.10 0.00 0.00 33.01 31.05 1x5h s GLN 76 CO 0.23 0.02 1.10 1.28 -0.55 0.00 0.00 175.29 177.36 1x5h n LEU 77 N 4.35 2.47 -3.60 3.68 4.77 -1.26 -4.84 117.00 122.57 1x5h n LEU 77 Ca -0.11 -1.79 -0.15 0.00 -0.03 0.00 0.00 56.01 53.93 1x5h n LEU 77 Cb 0.51 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1x5h n LEU 77 CO 0.38 0.60 0.27 -0.44 -1.33 0.00 0.00 177.39 176.87 1x5h s SER 78 N -0.93 -0.45 -0.00 -1.43 0.01 -1.26 -1.17 113.70 108.47 1x5h s SER 78 Ca 0.15 0.30 -0.14 0.00 1.31 0.00 0.00 55.95 57.57 1x5h s SER 78 Cb 0.08 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.80 1x5h s SER 78 CO 0.11 -0.64 0.28 -1.58 0.41 0.00 0.00 173.24 171.83 1x5h s GLN 79 N -1.91 0.67 -0.21 12.44 2.00 -1.04 -4.97 119.66 126.64 1x5h s GLN 79 Ca -0.08 -0.28 -0.04 0.00 -2.00 0.00 0.00 55.36 52.96 1x5h s GLN 79 Cb -0.01 0.29 -0.01 0.00 0.80 0.00 0.00 33.01 34.08 1x5h s GLN 79 CO 0.02 -0.19 -0.04 -1.17 -0.50 0.00 0.00 175.29 173.42 1x5h s LEU 80 N -1.46 2.97 -0.58 3.68 2.96 -1.26 -0.32 118.68 124.67 1x5h s LEU 80 Ca -0.12 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1x5h s LEU 80 Cb -0.05 -1.75 0.15 0.00 0.50 0.00 0.00 46.19 45.04 1x5h s LEU 80 CO 0.03 0.02 0.49 -0.63 -1.32 0.00 0.00 176.35 174.93 1x5h s ILE 81 N 1.26 4.77 0.47 6.68 -1.09 -1.00 -4.97 121.20 127.32 1x5h s ILE 81 Ca 0.03 -1.93 -0.05 0.00 -2.23 0.00 0.00 60.65 56.47 1x5h s ILE 81 Cb -0.14 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1x5h s ILE 81 CO -0.01 -0.87 0.77 -1.61 -1.23 0.00 0.00 174.94 171.99 1x5h s GLU 82 N 1.08 3.50 0.00 2.79 2.02 -1.26 -2.66 118.70 124.16 1x5h s GLU 82 Ca 0.08 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1x5h s GLU 82 Cb -0.24 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1x5h s GLU 82 CO -0.01 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1x5h n GLY 83 N -2.23 0.60 3.71 -1.39 0.00 0.22 -4.96 105.19 101.14 1x5h n GLY 83 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.89 2.92 0.25 0.99 1.43 0.59 -5.01 118.68 118.97 1x5h s LEU 84 Ca 0.00 -1.25 0.07 0.00 -1.03 0.00 0.00 54.13 51.92 1x5h s LEU 84 Cb 0.00 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1x5h s LEU 84 CO 0.00 -0.59 0.21 -1.81 0.23 0.00 0.00 176.35 174.39 1x5h s ASP 85 N -3.86 5.57 0.49 2.29 1.01 -1.23 -4.04 116.67 116.89 1x5h s ASP 85 Ca 0.35 -0.23 -0.07 0.00 0.71 0.00 0.00 52.55 53.30 1x5h s ASP 85 Cb 0.05 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.51 1x5h s ASP 85 CO 0.19 -0.04 0.82 0.00 0.21 0.00 0.00 175.17 176.35 1x5h s ARG 86 N -3.85 3.61 -1.30 8.23 1.70 -1.14 -4.31 118.95 121.89 1x5h s ARG 86 Ca 0.33 0.36 -0.23 0.00 -0.47 0.00 0.00 55.73 55.72 1x5h s ARG 86 Cb -0.08 -2.33 0.03 0.00 -0.57 0.00 0.00 34.95 32.00 1x5h s ARG 86 CO 0.25 -0.22 0.51 0.41 -1.08 0.00 0.00 175.30 175.17 1x5h n GLY 87 N -2.10 -0.63 3.21 3.88 0.00 -1.25 -4.92 105.19 103.39 1x5h n GLY 87 Ca 0.02 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 1x5h n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 88 N -3.76 -0.02 0.21 2.61 2.01 -1.26 -4.97 115.64 110.46 1x5h s THR 88 Ca 0.34 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1x5h s THR 88 Cb -0.18 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 1x5h s THR 88 CO 0.96 0.02 1.15 -0.70 -0.69 0.00 0.00 174.62 175.37 1x5h s GLU 89 N 0.80 4.55 -0.03 4.92 2.12 -1.26 -3.11 118.70 126.68 1x5h s GLU 89 Ca -0.05 1.83 0.01 0.00 0.36 0.00 0.00 54.97 57.12 1x5h s GLU 89 Cb -0.06 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.11 1x5h s GLU 89 CO -0.06 0.02 -0.05 0.71 -0.54 0.00 0.00 175.26 175.35 1x5h s TYR 90 N -0.40 0.66 -0.03 5.30 2.02 -0.06 -3.38 117.35 121.45 1x5h s TYR 90 Ca 0.50 -0.16 -0.09 0.00 -0.37 0.00 0.00 57.07 56.95 1x5h s TYR 90 Cb -0.32 -0.56 -0.05 0.00 -0.40 0.00 0.00 41.96 40.63 1x5h s TYR 90 CO 0.38 -0.14 0.27 -0.80 -1.57 0.00 0.00 175.55 173.69 1x5h s ASN 91 N 0.66 6.56 0.03 2.29 0.02 -0.93 -0.22 114.94 123.34 1x5h s ASN 91 Ca -0.08 0.66 -0.00 0.00 -1.02 0.00 0.00 52.86 52.42 1x5h s ASN 91 Cb -0.12 -2.14 -0.02 0.00 0.02 0.00 0.00 41.25 38.99 1x5h s ASN 91 CO -0.00 0.32 -0.03 -0.36 0.02 0.00 0.00 177.10 177.05 1x5h s PHE 92 N -1.15 0.34 -0.22 2.20 0.40 0.25 -2.18 117.98 117.62 1x5h s PHE 92 Ca 0.22 -0.64 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 1x5h s PHE 92 Cb -0.14 -0.24 0.07 0.00 0.51 0.00 0.00 43.02 43.22 1x5h s PHE 92 CO 0.11 -0.22 0.55 -0.98 0.70 0.00 0.00 175.22 175.39 1x5h s ARG 93 N -1.97 0.56 -0.12 0.44 1.70 -0.56 -1.18 118.95 117.83 1x5h s ARG 93 Ca -0.11 1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 56.11 1x5h s ARG 93 Cb -0.06 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1x5h s ARG 93 CO -0.03 -0.15 0.03 0.08 -1.08 0.00 0.00 175.30 174.15 1x5h s VAL 94 N 1.43 4.54 -0.01 4.99 1.01 -1.26 -1.41 120.40 129.70 1x5h s VAL 94 Ca -0.09 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1x5h s VAL 94 Cb -0.06 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1x5h s VAL 94 CO -0.15 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 1x5h s ALA 95 N -0.56 0.82 0.24 5.51 0.00 -0.37 -1.09 121.76 126.31 1x5h s ALA 95 Ca 0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 1x5h s ALA 95 Cb -0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.71 1x5h s ALA 95 CO 0.02 0.20 0.64 0.00 0.00 0.00 0.00 175.76 176.62 1x5h s ALA 96 N -0.24 3.46 0.01 0.00 0.00 -1.22 0.13 121.76 123.91 1x5h s ALA 96 Ca 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1x5h s ALA 96 Cb -0.04 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1x5h s ALA 96 CO -0.00 0.41 -0.16 -0.51 0.00 0.00 0.00 175.76 175.50 1x5h s LEU 97 N -2.55 2.09 0.22 0.00 1.43 0.42 -0.26 118.68 120.03 1x5h s LEU 97 Ca 0.47 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1x5h s LEU 97 Cb -0.13 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1x5h s LEU 97 CO 0.19 0.14 0.20 0.42 0.23 0.00 0.00 176.35 177.53 1x5h s THR 98 N -0.57 0.00 0.53 5.49 -4.23 -1.15 -1.11 115.64 114.61 1x5h s THR 98 Ca 0.05 -1.89 0.25 0.00 -1.18 0.00 0.00 61.69 58.92 1x5h s THR 98 Cb -0.07 -2.45 0.39 0.00 1.34 0.00 0.00 72.50 71.71 1x5h s THR 98 CO 0.00 0.00 2.00 -0.29 -0.54 0.00 0.00 174.62 175.80 1x5h h ILE 99 N 2.53 0.73 0.00 2.99 2.10 -1.95 0.30 117.51 124.22 1x5h h ILE 99 Ca -0.34 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.60 1x5h h ILE 99 Cb 1.25 0.75 -0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1x5h h ILE 99 CO 0.49 0.00 -0.01 0.78 -1.08 0.00 0.00 178.15 178.33 1x5h h ASN 100 N 0.00 0.00 0.00 2.19 2.35 -1.91 -3.48 115.58 114.73 1x5h h ASN 100 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1x5h h ASN 100 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1x5h h ASN 100 CO -0.00 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 1x5h n GLY 101 N -0.50 0.49 3.72 2.83 0.00 0.11 -4.74 105.19 107.09 1x5h n GLY 101 Ca -0.01 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 1.08 0.31 2.61 -4.23 -1.26 -2.92 115.64 111.24 1x5h s THR 102 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1x5h s THR 102 Cb 0.00 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1x5h s THR 102 CO 0.00 0.00 0.16 0.61 -0.54 0.00 0.00 174.62 174.85 1x5h n GLY 103 N -1.20 3.29 3.77 3.99 0.00 0.64 -4.06 105.19 111.61 1x5h n GLY 103 Ca -0.17 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -3.22 2.28 -0.04 1.61 0.04 -1.26 -4.62 135.00 129.79 1x5h s PRO 104 Ca 0.23 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.50 1x5h s PRO 104 Cb 0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1x5h s PRO 104 CO 0.16 -1.63 -0.19 0.00 0.04 0.00 0.00 177.00 175.38 1x5h s ALA 105 N -2.87 2.47 0.20 8.56 0.00 -1.26 -3.39 121.76 125.47 1x5h s ALA 105 Ca 0.61 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1x5h s ALA 105 Cb -0.17 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 1x5h s ALA 105 CO 0.55 0.54 1.33 0.95 0.00 0.00 0.00 175.76 179.14 1x5h s THR 106 N -0.68 3.12 0.23 0.00 -4.23 -0.25 -4.91 115.64 108.91 1x5h s THR 106 Ca 0.11 0.92 -0.21 0.00 -1.18 0.00 0.00 61.69 61.33 1x5h s THR 106 Cb -0.10 -3.59 -0.13 0.00 1.34 0.00 0.00 72.50 70.01 1x5h s THR 106 CO -0.00 0.14 0.28 0.47 -0.54 0.00 0.00 174.62 174.97 1x5h n ASP 107 N 2.62 -1.55 -4.54 3.99 8.00 -1.26 -4.41 116.55 119.40 1x5h n ASP 107 Ca 0.06 0.82 -0.33 0.00 0.71 0.00 0.00 54.79 56.05 1x5h n ASP 107 Cb 0.42 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 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 -0.33 1.23 -3.05 1.24 7.02 -1.26 -4.73 117.44 117.56 1x5h n TRP 108 Ca 0.13 0.13 -0.42 0.00 -1.02 0.00 0.00 57.50 56.32 1x5h n TRP 108 Cb 0.25 -2.54 -0.06 0.00 -2.42 0.00 0.00 31.31 26.54 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 11.86 4.15 0.19 -0.99 2.96 -0.32 -4.83 118.68 131.70 1x5h s LEU 109 Ca 1.04 0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 55.24 1x5h s LEU 109 Cb -0.34 -2.90 -0.07 0.00 0.50 0.00 0.00 46.19 43.38 1x5h s LEU 109 CO 0.28 -0.58 0.54 -0.94 -1.32 0.00 0.00 176.35 174.33 1x5h s SER 110 N 1.70 6.70 -0.14 3.68 1.04 -1.26 -0.58 113.70 124.84 1x5h s SER 110 Ca 0.28 0.98 -0.07 0.00 0.48 0.00 0.00 55.95 57.61 1x5h s SER 110 Cb -0.14 -2.25 0.06 0.00 0.10 0.00 0.00 66.02 63.78 1x5h s SER 110 CO 0.13 0.00 0.34 0.00 0.98 0.00 0.00 173.24 174.70 1x5h s ALA 111 N -1.67 -0.84 -0.36 5.32 0.00 0.69 -4.93 121.76 119.98 1x5h s ALA 111 Ca 0.43 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1x5h s ALA 111 Cb -0.13 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1x5h s ALA 111 CO 0.20 -0.28 0.34 -2.00 0.00 0.00 0.00 175.76 174.03 1x5h s GLU 112 N 1.44 3.41 1.38 0.00 2.12 -1.26 -0.88 118.70 124.91 1x5h s GLU 112 Ca -0.09 -0.58 -0.21 0.00 0.36 0.00 0.00 54.97 54.45 1x5h s GLU 112 Cb -0.09 -3.85 0.34 0.00 0.26 0.00 0.00 34.13 30.79 1x5h s GLU 112 CO -0.11 -0.58 0.80 0.25 -0.54 0.00 0.00 175.26 175.08 1x5h n THR 113 N 5.23 0.00 -3.06 -1.70 -2.24 -1.18 -4.91 114.28 106.42 1x5h n THR 113 Ca -0.10 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1x5h n THR 113 Cb 0.49 -0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.14 3.43 0.52 4.78 0.08 -1.26 -4.15 117.98 119.23 1x5h s PHE 114 Ca 0.63 1.07 0.37 0.00 0.12 0.00 0.00 56.93 59.11 1x5h s PHE 114 Cb -0.13 -2.84 1.53 0.00 -0.57 0.00 0.00 43.02 41.01 1x5h s PHE 114 CO 0.55 -0.12 1.73 0.93 -0.10 0.00 0.00 175.22 178.20 1x5h h GLU 115 N 7.26 0.06 -3.81 0.44 5.08 -1.92 -3.31 114.58 118.38 1x5h h GLU 115 Ca -0.33 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1x5h h GLU 115 Cb 1.15 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 1x5h h GLU 115 CO 0.78 0.04 -0.34 0.45 -1.00 0.00 0.00 179.01 178.95 1x5h s SER 116 N -4.80 0.07 0.16 1.42 0.15 -1.26 -4.52 113.70 104.93 1x5h s SER 116 Ca -0.06 -0.70 -0.15 0.00 0.70 0.00 0.00 55.95 55.74 1x5h s SER 116 Cb 0.25 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 65.00 1x5h s SER 116 CO 0.83 -0.79 1.80 -2.24 1.20 0.00 0.00 173.24 174.04 1x5h h ASP 117 N 2.66 0.38 -0.59 5.45 3.04 -2.01 -3.41 116.42 121.95 1x5h h ASP 117 Ca -0.33 0.01 -0.45 0.00 -3.24 0.00 0.00 57.03 53.01 1x5h h ASP 117 Cb 1.21 -0.07 -0.05 0.00 -1.04 0.00 0.00 39.33 39.38 1x5h h ASP 117 CO 0.53 0.27 1.66 0.18 -2.04 0.00 0.00 179.24 179.84 1x5h n LEU 118 N -4.87 0.96 -2.46 0.15 4.77 -1.26 -4.77 117.00 109.52 1x5h n LEU 118 Ca 0.02 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.45 1x5h n LEU 118 Cb 0.08 -1.17 0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1x5h n LEU 118 CO 0.32 -1.17 1.43 -0.67 -1.33 0.00 0.00 177.39 175.97 1x5h n ASP 119 N 12.49 7.56 -4.73 -1.43 2.03 -1.26 -5.01 116.55 126.20 1x5h n ASP 119 Ca 0.55 -3.80 -0.37 0.00 0.52 0.00 0.00 54.79 51.69 1x5h n ASP 119 Cb 0.24 -0.98 0.06 0.00 -0.72 0.00 0.00 41.12 39.73 1x5h n ASP 119 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x5h n GLU 120 N -0.82 1.24 -3.80 -0.67 2.13 -1.26 -5.02 120.64 112.43 1x5h n GLU 120 Ca 0.60 0.48 -0.21 0.00 0.66 0.00 0.00 57.16 58.69 1x5h n GLU 120 Cb 0.57 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.72 1x5h n GLU 120 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1x5h s THR 121 N -1.37 3.81 0.33 6.31 -1.32 -1.26 -5.13 115.64 117.01 1x5h s THR 121 Ca 0.80 -1.30 0.07 0.00 -1.21 0.00 0.00 61.69 60.05 1x5h s THR 121 Cb -0.39 -3.28 -0.03 0.00 -1.51 0.00 0.00 72.50 67.30 1x5h s THR 121 CO 0.43 -0.20 0.30 -0.13 -2.21 0.00 0.00 174.62 172.80 1x5h s ARG 122 N -4.00 2.77 0.25 7.08 1.81 -1.26 -5.09 118.95 120.50 1x5h s ARG 122 Ca 0.40 -1.26 -0.30 0.00 -1.72 0.00 0.00 55.73 52.86 1x5h s ARG 122 Cb -0.07 -2.51 -0.09 0.00 -0.45 0.00 0.00 34.95 31.83 1x5h s ARG 122 CO 0.27 0.11 1.10 0.14 -0.68 0.00 0.00 175.30 176.25 1x5h s VAL 123 N -2.28 3.60 1.02 3.52 -7.23 -1.26 -5.03 120.40 112.73 1x5h s VAL 123 Ca 0.41 1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 61.98 1x5h s VAL 123 Cb -0.06 -3.97 0.20 0.00 0.56 0.00 0.00 36.38 33.10 1x5h s VAL 123 CO 0.27 0.33 1.09 -2.16 -0.31 0.00 0.00 175.10 174.32 1x5h s PRO 124 N -1.08 0.27 -0.24 4.82 0.04 -1.26 -5.07 135.00 132.48 1x5h s PRO 124 Ca 0.46 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.95 1x5h s PRO 124 Cb -0.31 -1.72 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1x5h s PRO 124 CO 0.39 -2.83 0.24 -2.00 0.04 0.00 0.00 177.00 172.84 1x5h s GLU 125 N -4.97 0.24 0.03 4.56 2.12 -1.26 -5.14 118.70 114.27 1x5h s GLU 125 Ca 0.66 0.01 0.05 0.00 0.36 0.00 0.00 54.97 56.05 1x5h s GLU 125 Cb -0.19 -1.01 -0.02 0.00 0.26 0.00 0.00 34.13 33.18 1x5h s GLU 125 CO 0.58 -0.82 -0.16 0.54 -0.54 0.00 0.00 175.26 174.86 1x5h s VAL 126 N 2.32 1.26 -0.31 3.70 0.11 -1.26 -5.12 120.40 121.09 1x5h s VAL 126 Ca 0.08 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1x5h s VAL 126 Cb -0.15 -1.10 0.10 0.00 -1.53 0.00 0.00 36.38 33.70 1x5h s VAL 126 CO -0.22 0.15 0.11 -0.44 -3.33 0.00 0.00 175.10 171.37 1x5h s SER 127 N -0.91 3.92 -0.42 3.54 0.01 -1.26 -5.07 113.70 113.50 1x5h s SER 127 Ca 0.04 -1.64 0.02 0.00 1.31 0.00 0.00 55.95 55.68 1x5h s SER 127 Cb -0.07 -0.78 0.13 0.00 0.21 0.00 0.00 66.02 65.51 1x5h s SER 127 CO 0.01 -0.41 0.22 -0.83 0.41 0.00 0.00 173.24 172.64 1x5h s GLY 128 N 1.63 1.60 1.19 3.44 0.00 -1.26 -5.12 107.32 108.80 1x5h s GLY 128 Ca 0.10 -2.49 -0.19 0.00 0.00 0.00 0.00 44.72 42.14 1x5h s GLY 128 CO -0.26 1.55 1.11 2.56 0.00 0.00 0.00 173.10 178.06 1x5h s PRO 129 N 0.50 -1.13 0.29 2.90 0.04 -1.26 -5.10 135.00 131.24 1x5h s PRO 129 Ca 0.17 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.06 1x5h s PRO 129 Cb -0.24 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1x5h s PRO 129 CO -0.02 -3.66 0.52 0.45 0.04 0.00 0.00 177.00 174.34 1x5h s SER 130 N -3.87 0.14 0.12 6.66 0.15 -1.26 -5.10 113.70 110.53 1x5h s SER 130 Ca 0.71 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1x5h s SER 130 Cb -0.10 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1x5h s SER 130 CO 0.56 -1.25 0.00 -1.20 1.20 0.00 0.00 173.24 172.55 1x5h n SER 131 N -0.73 0.76 0.00 5.45 7.64 -1.26 -5.37 113.62 120.12 1x5h n SER 131 Ca -0.02 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x5h n SER 131 Cb 0.61 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64