#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h s SER 2 N 0.00 0.05 -0.14 1.61 0.15 -1.26 -5.16 113.70 108.96 1x5h s SER 2 Ca 0.00 -0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.22 1x5h s SER 2 Cb 0.00 0.04 0.13 0.00 -1.71 0.00 0.00 66.02 64.48 1x5h s SER 2 CO 0.00 -0.09 1.08 -0.55 1.20 0.00 0.00 173.24 174.88 1x5h s SER 3 N -0.39 -0.25 0.00 5.45 0.15 -1.26 -5.18 113.70 112.22 1x5h s SER 3 Ca -0.04 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1x5h s SER 3 Cb -0.03 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1x5h s SER 3 CO -0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1x5h n GLY 4 N 0.13 4.10 3.64 9.45 0.00 -1.26 -5.15 105.19 116.10 1x5h n GLY 4 Ca -0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 1x5h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5h s SER 5 N 0.00 -0.63 -0.29 1.61 0.15 -1.26 -5.17 113.70 108.11 1x5h s SER 5 Ca 0.00 1.03 -0.19 0.00 0.70 0.00 0.00 55.95 57.49 1x5h s SER 5 Cb 0.00 1.24 0.13 0.00 -1.71 0.00 0.00 66.02 65.68 1x5h s SER 5 CO 0.00 -0.16 0.96 -0.55 1.20 0.00 0.00 173.24 174.68 1x5h s SER 6 N 1.31 -0.54 0.00 5.45 0.15 -1.26 -5.17 113.70 113.63 1x5h s SER 6 Ca -0.08 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x5h s SER 6 Cb -0.04 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1x5h s SER 6 CO -0.15 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1x5h n GLY 7 N 3.31 -0.92 3.52 9.45 0.00 -1.26 -5.18 105.19 114.12 1x5h n GLY 7 Ca -0.17 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1x5h n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x5h s ASP 8 N -4.00 0.63 -0.13 1.61 -4.77 -1.26 -5.11 116.67 103.64 1x5h s ASP 8 Ca 0.00 -1.35 -0.35 0.00 -3.30 0.00 0.00 52.55 47.54 1x5h s ASP 8 Cb 0.00 0.66 -0.17 0.00 -1.09 0.00 0.00 42.92 42.32 1x5h s ASP 8 CO 0.00 -1.29 1.04 0.55 0.70 0.00 0.00 175.17 176.17 1x5h n VAL 9 N -0.52 0.00 -3.78 2.11 3.14 -1.26 -4.92 118.33 113.10 1x5h n VAL 9 Ca -0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 1x5h n VAL 9 Cb 0.62 -0.13 -0.02 0.00 -1.06 0.00 0.00 33.84 33.24 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 0.81 -1.29 -0.07 1.55 0.00 -1.26 -5.16 121.76 116.33 1x5h s ALA 10 Ca 0.80 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 1x5h s ALA 10 Cb -1.13 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1x5h s ALA 10 CO 0.55 -0.99 0.45 0.08 0.00 0.00 0.00 175.76 175.85 1x5h s VAL 11 N -3.88 5.12 -0.29 0.00 1.01 -1.26 -5.06 120.40 116.04 1x5h s VAL 11 Ca 0.09 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.01 1x5h s VAL 11 Cb -0.05 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1x5h s VAL 11 CO 0.03 0.42 -0.05 -0.13 0.00 0.00 0.00 175.10 175.37 1x5h s ARG 12 N 0.01 1.91 -0.05 2.72 1.81 -1.26 -5.09 118.95 118.99 1x5h s ARG 12 Ca 0.25 -1.49 -0.03 0.00 -1.72 0.00 0.00 55.73 52.75 1x5h s ARG 12 Cb -0.16 -2.95 0.03 0.00 -0.45 0.00 0.00 34.95 31.43 1x5h s ARG 12 CO 0.11 -0.70 0.12 0.95 -0.68 0.00 0.00 175.30 175.10 1x5h s THR 13 N 1.07 -0.04 0.00 0.02 -4.23 -1.26 -5.15 115.64 106.05 1x5h s THR 13 Ca -0.02 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1x5h s THR 13 Cb -0.20 -0.20 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1x5h s THR 13 CO -0.07 0.06 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.15 1x5h s LEU 14 N 0.95 2.07 0.14 4.79 1.43 -1.26 -5.10 118.68 121.69 1x5h s LEU 14 Ca -0.07 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1x5h s LEU 14 Cb -0.10 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1x5h s LEU 14 CO -0.04 0.17 -0.07 -0.55 0.23 0.00 0.00 176.35 176.09 1x5h s SER 15 N -0.57 1.55 0.36 2.29 0.15 -1.26 -5.02 113.70 111.20 1x5h s SER 15 Ca 0.06 -1.05 0.19 0.00 0.70 0.00 0.00 55.95 55.85 1x5h s SER 15 Cb -0.07 0.04 1.26 0.00 -1.71 0.00 0.00 66.02 65.54 1x5h s SER 15 CO -0.00 -0.41 1.61 -2.24 1.20 0.00 0.00 173.24 173.40 1x5h h ASP 16 N 2.80 0.39 -4.15 5.45 3.04 -2.00 -3.40 116.42 118.55 1x5h h ASP 16 Ca -0.36 0.23 -0.52 0.00 -3.24 0.00 0.00 57.03 53.13 1x5h h ASP 16 Cb 1.19 0.22 0.12 0.00 -1.04 0.00 0.00 39.33 39.82 1x5h h ASP 16 CO 0.64 -0.32 0.42 0.68 -2.04 0.00 0.00 179.24 178.62 1x5h s VAL 17 N -5.56 2.68 0.11 4.15 -7.23 -1.26 -4.72 120.40 108.57 1x5h s VAL 17 Ca -0.09 0.37 -0.31 0.00 -1.81 0.00 0.00 61.98 60.14 1x5h s VAL 17 Cb 0.32 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 1x5h s VAL 17 CO 0.79 -0.15 1.36 -2.16 -0.31 0.00 0.00 175.10 174.63 1x5h s PRO 18 N -3.69 4.34 -0.71 4.82 0.04 -1.26 -4.92 135.00 133.61 1x5h s PRO 18 Ca 0.74 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.82 1x5h s PRO 18 Cb -0.27 -3.26 0.37 0.00 0.04 0.00 0.00 34.50 31.38 1x5h s PRO 18 CO 0.39 -0.41 1.63 -1.13 0.04 0.00 0.00 177.00 177.52 1x5h n SER 19 N 3.89 6.38 -3.64 6.66 3.41 -1.26 -4.14 113.62 124.93 1x5h n SER 19 Ca 0.11 -3.78 -0.06 0.00 -0.26 0.00 0.00 58.87 54.88 1x5h n SER 19 Cb 0.43 -0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.88 -2.03 0.36 7.33 0.00 -1.26 -4.99 121.76 117.29 1x5h s ALA 20 Ca 0.49 2.28 0.07 0.00 0.00 0.00 0.00 51.96 54.80 1x5h s ALA 20 Cb 0.39 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1x5h s ALA 20 CO -0.30 -0.35 0.36 0.00 0.00 0.00 0.00 175.76 175.47 1x5h s ALA 21 N 1.33 4.00 0.18 0.00 0.00 -1.26 -4.50 121.76 121.50 1x5h s ALA 21 Ca -0.08 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 1x5h s ALA 21 Cb -0.04 -1.25 -0.08 0.00 0.00 0.00 0.00 23.12 21.74 1x5h s ALA 21 CO -0.15 -0.07 1.32 -1.25 0.00 0.00 0.00 175.76 175.60 1x5h s PRO 22 N -4.08 4.38 0.59 0.00 0.04 -1.26 -4.21 135.00 130.46 1x5h s PRO 22 Ca 0.44 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.62 1x5h s PRO 22 Cb -0.06 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.36 1x5h s PRO 22 CO 0.28 -0.28 0.77 -0.65 0.04 0.00 0.00 177.00 177.16 1x5h s GLN 23 N 0.15 2.24 -1.49 4.56 -0.21 -0.61 -4.60 119.66 119.70 1x5h s GLN 23 Ca 0.58 -1.74 -0.07 0.00 0.02 0.00 0.00 55.36 54.16 1x5h s GLN 23 Cb -0.36 -2.57 0.02 0.00 1.00 0.00 0.00 33.01 31.10 1x5h s GLN 23 CO 0.36 -0.90 0.75 0.09 -2.12 0.00 0.00 175.29 173.47 1x5h n ASN 24 N -2.23 -5.89 -4.76 5.90 3.02 -1.26 -0.09 115.26 109.95 1x5h n ASN 24 Ca 0.14 -0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 53.96 1x5h n ASN 24 Cb 0.62 -4.73 0.03 0.00 -0.61 0.00 0.00 39.78 35.09 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 -6.85 3.65 0.11 3.41 2.96 -1.26 -4.27 118.68 116.42 1x5h s LEU 25 Ca 0.40 2.31 -0.26 0.00 -0.22 0.00 0.00 54.13 56.36 1x5h s LEU 25 Cb -0.18 -4.59 0.08 0.00 0.50 0.00 0.00 46.19 41.99 1x5h s LEU 25 CO 0.49 -1.55 1.00 -0.44 -1.32 0.00 0.00 176.35 174.54 1x5h s SER 26 N -1.73 -0.18 -0.19 3.68 0.01 0.82 -4.95 113.70 111.16 1x5h s SER 26 Ca 0.75 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.65 1x5h s SER 26 Cb -0.28 0.43 0.07 0.00 0.21 0.00 0.00 66.02 66.44 1x5h s SER 26 CO 0.33 -0.78 0.08 -0.76 0.41 0.00 0.00 173.24 172.52 1x5h s LEU 27 N -2.90 0.55 -1.08 2.44 1.43 -1.26 -1.55 118.68 116.31 1x5h s LEU 27 Ca 0.12 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1x5h s LEU 27 Cb -0.00 -0.33 0.18 0.00 0.03 0.00 0.00 46.19 46.06 1x5h s LEU 27 CO 0.00 -0.35 1.25 -0.70 0.23 0.00 0.00 176.35 176.78 1x5h s GLU 28 N 2.07 3.92 -0.83 1.70 2.56 0.12 -4.93 118.70 123.31 1x5h s GLU 28 Ca 0.02 -2.41 -0.19 0.00 0.00 0.00 0.00 54.97 52.40 1x5h s GLU 28 Cb -0.16 -4.91 -0.20 0.00 2.00 0.00 0.00 34.13 30.86 1x5h s GLU 28 CO -0.12 -1.66 2.20 0.28 -0.56 0.00 0.00 175.26 175.39 1x5h n VAL 29 N 4.59 0.00 0.21 3.70 0.31 -1.26 -2.23 118.33 123.64 1x5h n VAL 29 Ca 0.29 -0.44 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1x5h n VAL 29 Cb 0.45 -1.23 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 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 11.79 -0.53 0.00 5.55 2.47 -1.84 -3.47 114.38 128.36 1x5h h ARG 30 Ca 0.01 0.04 -0.31 0.00 -1.26 0.00 0.00 59.98 58.45 1x5h h ARG 30 Cb 1.04 0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.40 1x5h h ARG 30 CO 1.20 -0.35 -0.29 0.09 0.56 0.00 0.00 179.97 181.17 1x5h n ASN 31 N -5.36 0.08 0.22 7.04 3.02 0.41 -4.98 115.26 115.70 1x5h n ASN 31 Ca -0.10 -2.37 0.11 0.00 -0.03 0.00 0.00 54.58 52.20 1x5h n ASN 31 Cb 0.26 0.91 0.38 0.00 -0.61 0.00 0.00 39.78 40.72 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 1.19 0.00 -0.00 6.41 4.64 -1.90 -3.17 113.55 120.71 1x5h h SER 32 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x5h h SER 32 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1x5h h SER 32 CO 0.25 0.14 -0.18 2.29 -0.87 0.00 0.00 176.83 178.46 1x5h n LYS 33 N -3.20 3.30 -4.86 4.77 2.85 -1.25 -3.45 118.16 116.30 1x5h n LYS 33 Ca 0.02 -0.31 -0.27 0.00 -1.05 0.00 0.00 58.31 56.70 1x5h n LYS 33 Cb 0.47 -0.90 -0.16 0.00 -0.65 0.00 0.00 35.03 33.79 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5h s SER 34 N -1.22 2.27 -0.13 -5.58 1.04 -1.20 -0.72 113.70 108.16 1x5h s SER 34 Ca 0.04 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1x5h s SER 34 Cb 0.05 -0.77 0.04 0.00 0.10 0.00 0.00 66.02 65.44 1x5h s SER 34 CO 0.19 0.14 -0.00 -0.63 0.98 0.00 0.00 173.24 173.91 1x5h s ILE 35 N 0.20 0.60 0.25 -1.02 1.01 0.80 -0.44 121.20 122.59 1x5h s ILE 35 Ca -0.08 -0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 1x5h s ILE 35 Cb -0.13 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.38 1x5h s ILE 35 CO 0.04 0.08 0.69 -0.32 0.00 0.00 0.00 174.94 175.42 1x5h s MET 36 N 1.86 4.09 0.02 2.79 -2.45 -0.95 -1.26 119.30 123.40 1x5h s MET 36 Ca 0.02 0.70 0.06 0.00 -1.25 0.00 0.00 55.69 55.22 1x5h s MET 36 Cb -0.14 -2.69 -0.03 0.00 1.25 0.00 0.00 34.83 33.21 1x5h s MET 36 CO -0.07 0.31 -0.14 0.42 1.05 0.00 0.00 175.02 176.58 1x5h s ILE 37 N -1.72 3.06 -0.13 10.11 1.01 0.11 0.11 121.20 133.75 1x5h s ILE 37 Ca 0.47 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1x5h s ILE 37 Cb -0.14 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.08 1x5h s ILE 37 CO 0.19 0.37 0.02 -1.00 0.00 0.00 0.00 174.94 174.53 1x5h s HIS 38 N -0.93 0.84 0.29 3.97 3.76 -0.60 -2.39 115.29 120.24 1x5h s HIS 38 Ca 0.15 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1x5h s HIS 38 Cb -0.11 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.62 1x5h s HIS 38 CO 0.06 -0.47 0.11 1.67 -0.85 0.00 0.00 174.74 175.25 1x5h s TRP 39 N 1.92 1.63 0.12 1.40 -2.14 -0.42 -0.13 118.94 121.32 1x5h s TRP 39 Ca 0.02 -1.20 0.06 0.00 2.66 0.00 0.00 56.10 57.64 1x5h s TRP 39 Cb -0.15 -0.96 -0.04 0.00 -3.10 0.00 0.00 33.47 29.23 1x5h s TRP 39 CO -0.07 -0.33 -0.14 -0.65 -2.66 0.00 0.00 176.95 173.10 1x5h s GLN 40 N -3.94 1.02 0.39 3.25 -1.52 0.87 -4.71 119.66 115.01 1x5h s GLN 40 Ca 0.36 -1.23 -0.26 0.00 -1.95 0.00 0.00 55.36 52.28 1x5h s GLN 40 Cb 0.07 -0.90 -0.09 0.00 -0.22 0.00 0.00 33.01 31.87 1x5h s GLN 40 CO 0.15 0.17 1.19 -1.25 -0.25 0.00 0.00 175.29 175.31 1x5h s PRO 41 N -2.64 4.10 1.01 2.91 0.04 -1.26 -1.57 135.00 137.58 1x5h s PRO 41 Ca 0.09 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1x5h s PRO 41 Cb -0.05 -2.75 0.20 0.00 0.04 0.00 0.00 34.50 31.94 1x5h s PRO 41 CO 0.03 -0.30 1.09 -1.25 0.04 0.00 0.00 177.00 176.61 1x5h s PRO 42 N -2.20 0.30 0.60 0.56 0.04 -1.26 -4.55 135.00 128.50 1x5h s PRO 42 Ca 0.56 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 1x5h s PRO 42 Cb -0.33 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1x5h s PRO 42 CO 0.41 -2.81 0.97 0.00 0.04 0.00 0.00 177.00 175.61 1x5h n ALA 43 N -4.22 0.19 -0.07 8.56 0.00 -1.26 -4.92 120.51 118.78 1x5h n ALA 43 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1x5h n ALA 43 Cb 0.57 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 0.49 0.78 0.00 0.00 0.13 -1.97 -2.96 132.00 128.48 1x5h h PRO 44 Ca -0.48 -0.42 -0.01 0.00 -0.87 0.00 0.00 66.00 64.22 1x5h h PRO 44 Cb 1.36 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1x5h h PRO 44 CO 0.51 1.04 -0.05 0.00 -0.23 0.00 0.00 178.00 179.27 1x5h h ALA 45 N 0.90 1.50 -0.51 -0.56 0.00 -2.04 -0.74 119.26 117.82 1x5h h ALA 45 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1x5h h ALA 45 Cb 0.97 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1x5h h ALA 45 CO 0.09 0.06 0.07 0.25 0.00 0.00 0.00 179.25 179.73 1x5h n THR 46 N -3.88 2.30 -3.48 0.00 -2.24 -1.12 -4.64 114.28 101.23 1x5h n THR 46 Ca -0.03 -1.18 -0.33 0.00 -2.27 0.00 0.00 64.05 60.24 1x5h n THR 46 Cb 0.14 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 1x5h n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5h n GLN 47 N 0.33 2.87 0.27 -0.78 6.02 -0.28 -4.16 117.38 121.63 1x5h n GLN 47 Ca 0.26 -4.56 0.15 0.00 -0.01 0.00 0.00 57.00 52.83 1x5h n GLN 47 Cb 1.07 -2.37 0.78 0.00 1.02 0.00 0.00 30.24 30.75 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 5.20 0.00 -5.39 1.08 7.08 -1.83 -3.43 115.58 118.28 1x5h h ASN 48 Ca 0.18 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.20 1x5h h ASN 48 Cb 0.71 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.89 1x5h h ASN 48 CO 0.93 0.00 -0.11 -0.83 -2.08 0.00 0.00 177.43 175.34 1x5h s GLY 49 N -3.69 1.16 0.48 9.14 0.00 -1.26 -5.10 107.32 108.04 1x5h s GLY 49 Ca -0.03 -1.29 -0.15 0.00 0.00 0.00 0.00 44.72 43.24 1x5h s GLY 49 CO 0.26 -0.83 0.92 -0.86 0.00 0.00 0.00 173.10 172.59 1x5h s GLN 50 N -3.09 3.93 -0.01 2.90 -2.07 -1.26 -5.05 119.66 115.01 1x5h s GLN 50 Ca 0.27 0.84 -0.15 0.00 -1.82 0.00 0.00 55.36 54.51 1x5h s GLN 50 Cb -0.01 -2.21 -0.06 0.00 -1.09 0.00 0.00 33.01 29.64 1x5h s GLN 50 CO 0.17 -0.18 0.40 0.42 -1.32 0.00 0.00 175.29 174.78 1x5h s ILE 51 N -2.51 5.06 -0.12 3.63 1.01 -1.26 -4.18 121.20 122.82 1x5h s ILE 51 Ca 0.57 0.82 0.06 0.00 0.00 0.00 0.00 60.65 62.10 1x5h s ILE 51 Cb -0.10 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 1x5h s ILE 51 CO 0.29 0.57 -0.02 0.35 0.00 0.00 0.00 174.94 176.13 1x5h n THR 52 N 1.94 0.75 -3.60 2.92 -2.24 -0.40 -4.80 114.28 108.85 1x5h n THR 52 Ca -0.14 -0.40 0.01 0.00 -2.27 0.00 0.00 64.05 61.25 1x5h n THR 52 Cb 0.52 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 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 -4.68 -0.38 -0.02 3.38 0.00 -1.23 -2.21 107.32 102.19 1x5h s GLY 53 Ca -0.10 1.20 0.03 0.00 0.00 0.00 0.00 44.72 45.85 1x5h s GLY 53 CO 0.39 0.32 -0.09 -0.19 0.00 0.00 0.00 173.10 173.53 1x5h s TYR 54 N -2.20 2.83 -0.65 1.90 2.02 -1.23 -0.36 117.35 119.67 1x5h s TYR 54 Ca 0.13 -0.07 -0.14 0.00 -0.37 0.00 0.00 57.07 56.63 1x5h s TYR 54 Cb 0.04 -1.63 0.17 0.00 -0.40 0.00 0.00 41.96 40.14 1x5h s TYR 54 CO -0.05 0.32 0.58 0.21 -1.57 0.00 0.00 175.55 175.04 1x5h s LYS 55 N -1.13 3.15 -0.37 -0.62 2.20 0.13 -2.52 119.74 120.57 1x5h s LYS 55 Ca 0.15 -2.06 -0.22 0.00 -0.36 0.00 0.00 55.97 53.47 1x5h s LYS 55 Cb -0.11 -4.27 0.01 0.00 -1.51 0.00 0.00 37.83 31.95 1x5h s LYS 55 CO 0.04 -1.29 0.74 0.42 -0.36 0.00 0.00 175.35 174.90 1x5h s ILE 56 N 0.92 4.77 -0.06 5.43 1.01 -0.59 -2.78 121.20 129.90 1x5h s ILE 56 Ca 0.10 0.73 0.06 0.00 0.00 0.00 0.00 60.65 61.54 1x5h s ILE 56 Cb -0.21 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1x5h s ILE 56 CO -0.02 -0.44 -0.24 -0.13 0.00 0.00 0.00 174.94 174.11 1x5h s ARG 57 N 3.01 2.51 0.03 2.79 0.52 -0.85 -1.70 118.95 125.26 1x5h s ARG 57 Ca 0.29 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1x5h s ARG 57 Cb -0.13 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 1x5h s ARG 57 CO 0.17 0.33 -0.06 1.52 0.02 0.00 0.00 175.30 177.27 1x5h s TYR 58 N -0.05 0.54 0.36 -0.53 1.13 -1.20 -1.52 117.35 116.08 1x5h s TYR 58 Ca -0.06 -0.39 0.06 0.00 -1.41 0.00 0.00 57.07 55.27 1x5h s TYR 58 Cb -0.14 -0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 40.36 1x5h s TYR 58 CO 0.04 -0.08 0.22 -0.98 -2.51 0.00 0.00 175.55 172.24 1x5h s ARG 59 N -1.16 1.81 -0.21 -3.49 1.70 -0.85 -2.27 118.95 114.48 1x5h s ARG 59 Ca -0.08 -2.07 -0.14 0.00 -0.47 0.00 0.00 55.73 52.98 1x5h s ARG 59 Cb -0.08 -0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 1x5h s ARG 59 CO 0.00 -0.58 0.30 0.15 -1.08 0.00 0.00 175.30 174.09 1x5h s LYS 60 N -3.57 4.15 0.22 3.89 1.02 -0.60 -1.30 119.74 123.55 1x5h s LYS 60 Ca 0.34 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.34 1x5h s LYS 60 Cb 0.02 -3.52 0.51 0.00 -0.52 0.00 0.00 37.83 34.32 1x5h s LYS 60 CO 0.22 0.04 1.15 0.00 -0.92 0.00 0.00 175.35 175.84 1x5h n ALA 61 N 4.26 0.33 -0.05 5.17 0.00 -1.16 -0.10 120.51 128.96 1x5h n ALA 61 Ca -0.11 0.79 -0.16 0.00 0.00 0.00 0.00 53.44 53.96 1x5h n ALA 61 Cb 0.52 -0.55 -0.13 0.00 0.00 0.00 0.00 19.45 19.28 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 0.09 -3.52 0.00 0.87 -1.93 -3.40 113.55 105.66 1x5h h SER 62 Ca 0.42 -0.96 -0.77 0.00 -1.23 0.00 0.00 61.79 59.25 1x5h h SER 62 Cb 0.82 -0.03 -0.25 0.00 -0.44 0.00 0.00 62.40 62.51 1x5h h SER 62 CO -0.71 1.12 0.31 -0.60 -0.53 0.00 0.00 176.83 176.42 1x5h s ARG 63 N -2.27 3.72 -0.07 2.24 6.06 0.86 -4.86 118.95 124.63 1x5h s ARG 63 Ca -0.19 -2.49 -0.26 0.00 -2.50 0.00 0.00 55.73 50.30 1x5h s ARG 63 Cb -0.02 -4.54 -0.24 0.00 0.06 0.00 0.00 34.95 30.21 1x5h s ARG 63 CO 0.71 -1.37 0.98 0.87 -2.50 0.00 0.00 175.30 173.99 1x5h h LYS 64 N 7.73 0.10 -0.93 5.12 1.79 -1.73 -1.60 116.57 127.05 1x5h h LYS 64 Ca 0.14 -0.11 0.23 0.00 -2.18 0.00 0.00 60.65 58.72 1x5h h LYS 64 Cb 1.01 0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 31.51 1x5h h LYS 64 CO 0.86 0.89 -0.06 0.77 -1.08 0.00 0.00 179.45 180.83 1x5h h SER 65 N -0.65 -0.58 -2.33 0.86 0.02 -1.89 -3.33 113.55 105.66 1x5h h SER 65 Ca -0.02 0.27 -0.53 0.00 -0.84 0.00 0.00 61.79 60.67 1x5h h SER 65 Cb 0.94 0.49 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 1x5h h SER 65 CO 0.03 -0.31 1.28 -0.62 -1.14 0.00 0.00 176.83 176.07 1x5h s ASP 66 N -5.12 5.61 0.08 3.07 -1.08 -1.25 -4.97 116.67 113.02 1x5h s ASP 66 Ca -0.14 0.54 0.08 0.00 -0.52 0.00 0.00 52.55 52.51 1x5h s ASP 66 Cb 0.27 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 39.16 1x5h s ASP 66 CO 0.77 -2.07 -0.22 -0.69 0.52 0.00 0.00 175.17 173.48 1x5h s VAL 67 N 7.88 1.77 -0.10 1.11 1.01 -1.25 -4.06 120.40 126.76 1x5h s VAL 67 Ca 0.66 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1x5h s VAL 67 Cb -0.14 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1x5h s VAL 67 CO 0.24 0.06 -0.15 -0.89 0.00 0.00 0.00 175.10 174.37 1x5h s THR 68 N -1.02 2.96 -0.12 3.92 2.01 -0.96 -4.99 115.64 117.44 1x5h s THR 68 Ca 0.08 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1x5h s THR 68 Cb -0.10 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1x5h s THR 68 CO 0.03 0.55 0.32 -0.70 -0.69 0.00 0.00 174.62 174.14 1x5h s GLU 69 N -0.03 4.13 -0.22 4.92 -6.30 -1.26 -3.26 118.70 116.68 1x5h s GLU 69 Ca -0.04 0.17 -0.04 0.00 -2.50 0.00 0.00 54.97 52.57 1x5h s GLU 69 Cb -0.14 -3.37 0.09 0.00 0.00 0.00 0.00 34.13 30.71 1x5h s GLU 69 CO 0.04 0.36 0.18 0.99 0.02 0.00 0.00 175.26 176.85 1x5h s THR 70 N 0.08 -0.22 0.43 -1.70 2.01 -0.69 -5.03 115.64 110.52 1x5h s THR 70 Ca 0.19 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1x5h s THR 70 Cb -0.14 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1x5h s THR 70 CO 0.06 -0.36 0.76 -0.76 -0.69 0.00 0.00 174.62 173.63 1x5h s LEU 71 N 2.24 3.76 0.24 4.42 2.01 -1.26 -1.54 118.68 128.55 1x5h s LEU 71 Ca 0.06 1.03 0.01 0.00 0.01 0.00 0.00 54.13 55.25 1x5h s LEU 71 Cb -0.16 -3.94 -0.04 0.00 0.01 0.00 0.00 46.19 42.07 1x5h s LEU 71 CO -0.19 -0.46 0.15 0.68 1.01 0.00 0.00 176.35 177.54 1x5h s VAL 72 N -2.50 0.14 0.59 -1.59 -7.23 -1.05 -4.97 120.40 103.79 1x5h s VAL 72 Ca 0.49 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.48 1x5h s VAL 72 Cb -0.10 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1x5h s VAL 72 CO 0.36 0.00 1.15 -0.94 -0.31 0.00 0.00 175.10 175.36 1x5h s SER 73 N -3.25 5.40 0.43 4.85 1.04 -1.26 -3.54 113.70 117.38 1x5h s SER 73 Ca 0.39 2.20 0.16 0.00 0.48 0.00 0.00 55.95 59.17 1x5h s SER 73 Cb 0.06 -2.58 1.06 0.00 0.10 0.00 0.00 66.02 64.66 1x5h s SER 73 CO 0.15 -1.44 1.93 1.23 0.98 0.00 0.00 173.24 176.09 1x5h h GLY 74 N 0.82 0.67 -1.06 7.32 0.00 -1.75 0.28 103.07 109.33 1x5h h GLY 74 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1x5h h GLY 74 CO 0.56 0.06 0.00 -0.37 0.00 0.00 0.00 176.54 176.79 1x5h n THR 75 N -4.47 0.07 -2.27 4.70 5.66 -1.26 -4.76 114.28 111.94 1x5h n THR 75 Ca 0.14 -0.37 -0.43 0.00 -3.05 0.00 0.00 64.05 60.34 1x5h n THR 75 Cb 0.52 0.80 -0.02 0.00 -1.55 0.00 0.00 70.33 70.07 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 -1.93 4.18 0.00 1.09 0.74 0.97 -4.87 119.66 119.83 1x5h s GLN 76 Ca 0.34 1.82 0.13 0.00 0.05 0.00 0.00 55.36 57.70 1x5h s GLN 76 Cb 0.20 -3.86 0.35 0.00 1.10 0.00 0.00 33.01 30.81 1x5h s GLN 76 CO 0.31 -0.81 1.29 1.28 -0.55 0.00 0.00 175.29 176.81 1x5h n LEU 77 N 6.93 3.06 -3.49 3.68 4.77 -1.26 -4.82 117.00 125.86 1x5h n LEU 77 Ca 0.15 -1.95 -0.14 0.00 -0.03 0.00 0.00 56.01 54.04 1x5h n LEU 77 Cb 0.44 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1x5h n LEU 77 CO 0.59 0.76 0.50 -0.44 -1.33 0.00 0.00 177.39 177.46 1x5h s SER 78 N -1.01 -0.56 -0.01 -1.43 0.01 -1.26 -1.30 113.70 108.15 1x5h s SER 78 Ca 0.27 0.37 -0.09 0.00 1.31 0.00 0.00 55.95 57.81 1x5h s SER 78 Cb 0.14 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.89 1x5h s SER 78 CO 0.19 -0.69 0.18 -1.58 0.41 0.00 0.00 173.24 171.75 1x5h s GLN 79 N -2.21 0.50 -0.32 12.44 2.00 -1.00 -4.94 119.66 126.13 1x5h s GLN 79 Ca -0.04 -0.29 -0.09 0.00 -2.00 0.00 0.00 55.36 52.94 1x5h s GLN 79 Cb -0.00 0.21 0.01 0.00 0.80 0.00 0.00 33.01 34.03 1x5h s GLN 79 CO -0.00 -0.12 0.13 -1.17 -0.50 0.00 0.00 175.29 173.62 1x5h s LEU 80 N -1.24 4.12 -0.45 3.68 2.96 -1.26 0.09 118.68 126.58 1x5h s LEU 80 Ca -0.13 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 1x5h s LEU 80 Cb -0.07 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.73 1x5h s LEU 80 CO 0.02 -0.23 0.35 -0.63 -1.32 0.00 0.00 176.35 174.54 1x5h s ILE 81 N 1.55 5.11 0.26 6.68 -1.09 -0.39 -4.95 121.20 128.37 1x5h s ILE 81 Ca 0.03 -0.98 0.07 0.00 -2.23 0.00 0.00 60.65 57.53 1x5h s ILE 81 Cb -0.18 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1x5h s ILE 81 CO 0.05 -0.49 0.23 -1.61 -1.23 0.00 0.00 174.94 171.89 1x5h s GLU 82 N 1.63 2.99 0.00 2.79 2.02 -1.26 -0.14 118.70 126.72 1x5h s GLU 82 Ca 0.04 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.00 1x5h s GLU 82 Cb -0.23 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1x5h s GLU 82 CO 0.07 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1x5h n GLY 83 N -1.23 0.55 3.41 -1.39 0.00 -0.07 -4.97 105.19 101.50 1x5h n GLY 83 Ca -0.07 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.41 2.46 0.15 0.99 1.43 0.10 -5.03 118.68 118.37 1x5h s LEU 84 Ca 0.00 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1x5h s LEU 84 Cb 0.00 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1x5h s LEU 84 CO 0.00 -0.34 0.31 -1.81 0.23 0.00 0.00 176.35 174.74 1x5h s ASP 85 N -3.41 6.36 0.72 2.29 1.11 -1.26 -3.94 116.67 118.54 1x5h s ASP 85 Ca 0.28 0.28 -0.11 0.00 0.18 0.00 0.00 52.55 53.18 1x5h s ASP 85 Cb 0.03 -1.96 0.03 0.00 1.07 0.00 0.00 42.92 42.09 1x5h s ASP 85 CO 0.11 0.04 1.07 0.00 1.18 0.00 0.00 175.17 177.57 1x5h s ARG 86 N -3.11 2.70 -1.23 8.23 1.70 -1.22 -4.10 118.95 121.91 1x5h s ARG 86 Ca 0.36 0.86 -0.27 0.00 -0.47 0.00 0.00 55.73 56.21 1x5h s ARG 86 Cb -0.11 -1.97 0.03 0.00 -0.57 0.00 0.00 34.95 32.32 1x5h s ARG 86 CO 0.28 -1.25 0.65 0.41 -1.08 0.00 0.00 175.30 174.32 1x5h n GLY 87 N -2.04 -0.80 3.24 3.88 0.00 -1.25 -4.92 105.19 103.30 1x5h n GLY 87 Ca 0.07 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.59 -0.65 0.33 2.61 2.01 -1.26 -4.95 115.64 110.14 1x5h s THR 88 Ca 0.43 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 1x5h s THR 88 Cb -0.21 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1x5h s THR 88 CO 0.94 0.06 1.36 -0.70 -0.69 0.00 0.00 174.62 175.59 1x5h s GLU 89 N 2.61 4.30 0.02 4.92 2.12 -1.26 -3.49 118.70 127.92 1x5h s GLU 89 Ca -0.01 2.30 0.01 0.00 0.36 0.00 0.00 54.97 57.63 1x5h s GLU 89 Cb -0.12 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1x5h s GLU 89 CO -0.13 -0.28 -0.04 0.71 -0.54 0.00 0.00 175.26 174.98 1x5h s TYR 90 N -1.04 0.31 0.00 5.30 2.02 0.14 -3.00 117.35 121.08 1x5h s TYR 90 Ca 0.51 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1x5h s TYR 90 Cb -0.41 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1x5h s TYR 90 CO 0.54 -0.11 0.07 -0.80 -1.57 0.00 0.00 175.55 173.68 1x5h s ASN 91 N -1.07 5.58 -0.03 2.29 -0.87 -0.42 0.43 114.94 120.85 1x5h s ASN 91 Ca -0.10 0.11 -0.03 0.00 -1.57 0.00 0.00 52.86 51.27 1x5h s ASN 91 Cb -0.07 -1.57 0.01 0.00 -0.02 0.00 0.00 41.25 39.60 1x5h s ASN 91 CO -0.00 0.26 0.09 -0.36 -2.57 0.00 0.00 177.10 174.52 1x5h s PHE 92 N -1.20 -0.09 -0.07 2.20 0.40 -0.74 -2.00 117.98 116.48 1x5h s PHE 92 Ca 0.23 0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1x5h s PHE 92 Cb -0.12 0.00 0.04 0.00 0.51 0.00 0.00 43.02 43.45 1x5h s PHE 92 CO 0.14 -0.06 0.15 -0.98 0.70 0.00 0.00 175.22 175.17 1x5h s ARG 93 N 0.22 0.10 -0.10 0.44 1.70 -0.57 -3.11 118.95 117.62 1x5h s ARG 93 Ca -0.01 0.38 -0.04 0.00 -0.47 0.00 0.00 55.73 55.58 1x5h s ARG 93 Cb -0.02 -0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 1x5h s ARG 93 CO -0.01 -0.16 0.07 0.08 -1.08 0.00 0.00 175.30 174.20 1x5h s VAL 94 N 1.16 4.90 0.02 4.99 1.01 -1.26 -2.00 120.40 129.22 1x5h s VAL 94 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1x5h s VAL 94 Cb -0.11 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1x5h s VAL 94 CO -0.06 0.61 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 1x5h s ALA 95 N -0.93 0.46 0.14 5.51 0.00 -1.12 -0.65 121.76 125.18 1x5h s ALA 95 Ca 0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1x5h s ALA 95 Cb -0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1x5h s ALA 95 CO 0.03 0.04 0.51 0.00 0.00 0.00 0.00 175.76 176.33 1x5h s ALA 96 N -0.72 3.62 -0.01 0.00 0.00 -1.20 0.19 121.76 123.64 1x5h s ALA 96 Ca -0.04 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1x5h s ALA 96 Cb -0.06 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1x5h s ALA 96 CO 0.00 0.49 -0.19 -0.51 0.00 0.00 0.00 175.76 175.55 1x5h s LEU 97 N -2.07 2.04 0.23 0.00 1.43 0.52 -0.19 118.68 120.65 1x5h s LEU 97 Ca 0.38 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1x5h s LEU 97 Cb -0.14 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1x5h s LEU 97 CO 0.19 0.23 0.16 0.42 0.23 0.00 0.00 176.35 177.58 1x5h s THR 98 N -0.47 0.04 0.39 5.49 -4.23 -0.07 -1.27 115.64 115.52 1x5h s THR 98 Ca 0.07 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1x5h s THR 98 Cb -0.07 -2.51 0.34 0.00 1.34 0.00 0.00 72.50 71.60 1x5h s THR 98 CO -0.01 0.00 1.90 -0.29 -0.54 0.00 0.00 174.62 175.68 1x5h h ILE 99 N 2.49 0.82 0.00 2.99 6.09 -1.97 0.30 117.51 128.23 1x5h h ILE 99 Ca -0.34 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 1x5h h ILE 99 Cb 1.25 0.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.76 1x5h h ILE 99 CO 0.50 0.10 -0.03 0.78 -3.07 0.00 0.00 178.15 176.43 1x5h h ASN 100 N 0.55 0.00 0.00 2.19 2.35 -1.92 -3.48 115.58 115.27 1x5h h ASN 100 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1x5h h ASN 100 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1x5h h ASN 100 CO -0.16 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.26 1x5h n GLY 101 N -0.75 0.44 3.95 2.83 0.00 0.11 -4.66 105.19 107.12 1x5h n GLY 101 Ca -0.02 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.74 2.49 0.03 2.61 -4.23 -1.26 -0.90 115.64 110.64 1x5h s THR 102 Ca 0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1x5h s THR 102 Cb 0.00 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 1x5h s THR 102 CO 0.00 -0.00 0.01 0.61 -0.54 0.00 0.00 174.62 174.69 1x5h n GLY 103 N -2.61 4.09 3.77 3.99 0.00 0.74 -4.23 105.19 110.93 1x5h n GLY 103 Ca 0.08 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.10 2.41 -0.07 1.61 0.04 -1.26 -4.66 135.00 130.97 1x5h s PRO 104 Ca 0.01 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.34 1x5h s PRO 104 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1x5h s PRO 104 CO 0.01 -1.54 -0.24 0.00 0.04 0.00 0.00 177.00 175.26 1x5h s ALA 105 N -2.74 2.18 0.79 8.56 0.00 -1.26 -3.23 121.76 126.06 1x5h s ALA 105 Ca 0.63 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 1x5h s ALA 105 Cb -0.18 -0.72 0.07 0.00 0.00 0.00 0.00 23.12 22.29 1x5h s ALA 105 CO 0.52 0.39 1.20 0.95 0.00 0.00 0.00 175.76 178.81 1x5h s THR 106 N -0.06 2.20 1.11 0.00 -4.23 0.18 -4.93 115.64 109.91 1x5h s THR 106 Ca -0.07 0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 1x5h s THR 106 Cb -0.15 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.24 1x5h s THR 106 CO 0.05 -0.06 -0.22 -0.67 -0.54 0.00 0.00 174.62 173.18 1x5h n ASP 107 N -3.18 -2.47 -4.47 3.99 2.03 -1.26 -4.57 116.55 106.62 1x5h n ASP 107 Ca 0.13 -0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 1x5h n ASP 107 Cb 0.51 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 39.99 1x5h n ASP 107 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1x5h s TRP 108 N -2.20 2.85 -0.27 -0.67 0.23 -1.26 -4.56 118.94 113.07 1x5h s TRP 108 Ca 0.53 -0.97 -0.20 0.00 -2.03 0.00 0.00 56.10 53.42 1x5h s TRP 108 Cb -0.08 -4.36 -0.02 0.00 0.03 0.00 0.00 33.47 29.05 1x5h s TRP 108 CO 0.65 -1.63 0.64 -1.17 0.96 0.00 0.00 176.95 176.40 1x5h s LEU 109 N 3.59 4.08 0.10 2.99 2.96 -1.18 -4.90 118.68 126.32 1x5h s LEU 109 Ca 0.31 0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 54.75 1x5h s LEU 109 Cb -0.08 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.68 1x5h s LEU 109 CO -0.02 -0.40 0.48 -0.44 -1.32 0.00 0.00 176.35 174.65 1x5h s SER 110 N 1.51 6.76 -0.08 3.68 0.01 -1.26 -1.79 113.70 122.53 1x5h s SER 110 Ca 0.26 0.96 -0.04 0.00 1.31 0.00 0.00 55.95 58.44 1x5h s SER 110 Cb -0.15 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 63.87 1x5h s SER 110 CO 0.09 0.16 0.18 0.00 0.41 0.00 0.00 173.24 174.08 1x5h s ALA 111 N -1.39 -0.38 -0.28 1.44 0.00 0.17 -4.90 121.76 116.42 1x5h s ALA 111 Ca 0.34 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.97 1x5h s ALA 111 Cb -0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1x5h s ALA 111 CO 0.18 -0.16 0.11 -2.00 0.00 0.00 0.00 175.76 173.89 1x5h s GLU 112 N 1.01 3.52 1.22 0.00 2.12 -1.26 0.24 118.70 125.56 1x5h s GLU 112 Ca -0.08 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 54.50 1x5h s GLU 112 Cb -0.09 -3.43 0.26 0.00 0.26 0.00 0.00 34.13 31.12 1x5h s GLU 112 CO -0.06 -0.29 0.63 0.25 -0.54 0.00 0.00 175.26 175.26 1x5h n THR 113 N 4.95 0.00 -2.86 -1.70 -2.24 -1.23 -4.88 114.28 106.31 1x5h n THR 113 Ca -0.15 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1x5h n THR 113 Cb 0.50 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.26 3.18 0.41 4.78 0.08 -1.26 -3.93 117.98 118.98 1x5h s PHE 114 Ca 0.62 0.89 0.34 0.00 0.12 0.00 0.00 56.93 58.89 1x5h s PHE 114 Cb -0.17 -3.37 1.34 0.00 -0.57 0.00 0.00 43.02 40.25 1x5h s PHE 114 CO 0.61 -0.64 1.30 0.39 -0.10 0.00 0.00 175.22 176.78 1x5h n GLU 115 N 6.41 -0.02 -3.83 0.44 1.02 -1.26 -4.16 120.64 119.24 1x5h n GLU 115 Ca 0.06 0.98 -0.12 0.00 -0.02 0.00 0.00 57.16 58.05 1x5h n GLU 115 Cb 0.48 -2.07 -0.13 0.00 -0.02 0.00 0.00 31.44 29.70 1x5h n GLU 115 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x5h s SER 116 N -4.11 -0.10 -0.64 1.62 0.01 -1.26 -4.57 113.70 104.64 1x5h s SER 116 Ca -0.05 0.20 -0.21 0.00 1.31 0.00 0.00 55.95 57.20 1x5h s SER 116 Cb 0.24 0.20 0.09 0.00 0.21 0.00 0.00 66.02 66.76 1x5h s SER 116 CO 0.71 -0.04 0.86 1.51 0.41 0.00 0.00 173.24 176.69 1x5h s ASP 117 N 0.12 6.20 -0.27 2.44 -4.77 -1.26 -4.86 116.67 114.28 1x5h s ASP 117 Ca -0.01 -1.25 0.08 0.00 -3.30 0.00 0.00 52.55 48.07 1x5h s ASP 117 Cb -0.01 -2.36 0.45 0.00 -1.09 0.00 0.00 42.92 39.90 1x5h s ASP 117 CO -0.00 -1.27 1.20 0.18 0.70 0.00 0.00 175.17 175.97 1x5h n LEU 118 N 7.02 4.38 -3.54 2.11 4.77 -1.26 -4.97 117.00 125.51 1x5h n LEU 118 Ca -0.05 -4.54 -0.18 0.00 -0.03 0.00 0.00 56.01 51.21 1x5h n LEU 118 Cb 0.44 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1x5h n LEU 118 CO 0.61 1.94 -0.24 0.47 -1.33 0.00 0.00 177.39 178.84 1x5h n ASP 119 N -0.81 0.14 -4.49 -1.43 8.00 -1.26 -4.59 116.55 112.11 1x5h n ASP 119 Ca 0.38 -0.69 -0.44 0.00 0.71 0.00 0.00 54.79 54.74 1x5h n ASP 119 Cb 0.90 -0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1x5h n ASP 119 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x5h n GLU 120 N -2.97 0.88 -4.30 -1.24 2.13 -1.26 -4.92 120.64 108.95 1x5h n GLU 120 Ca -0.16 0.15 -0.31 0.00 0.66 0.00 0.00 57.16 57.50 1x5h n GLU 120 Cb 0.37 -2.59 -0.09 0.00 0.27 0.00 0.00 31.44 29.40 1x5h n GLU 120 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x5h s THR 121 N 9.17 3.74 0.28 6.31 2.01 -1.26 -5.13 115.64 130.75 1x5h s THR 121 Ca 1.11 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1x5h s THR 121 Cb -0.72 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1x5h s THR 121 CO 0.42 0.26 0.16 -2.11 -0.69 0.00 0.00 174.62 172.66 1x5h n ARG 122 N 1.09 1.14 -3.98 4.92 0.00 -1.26 -5.15 116.66 113.44 1x5h n ARG 122 Ca -0.14 -1.81 -0.22 0.00 -0.00 0.00 0.00 57.85 55.69 1x5h n ARG 122 Cb 0.52 0.27 -0.17 0.00 -0.00 0.00 0.00 32.46 33.08 1x5h n ARG 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x5h s VAL 123 N -1.53 0.54 1.24 8.89 0.11 -1.26 -5.15 120.40 123.24 1x5h s VAL 123 Ca 0.12 -0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.92 1x5h s VAL 123 Cb -0.01 -0.62 0.31 0.00 -1.53 0.00 0.00 36.38 34.53 1x5h s VAL 123 CO 0.08 0.26 1.10 -0.81 -3.33 0.00 0.00 175.10 172.40 1x5h n PRO 124 N 4.61 -3.17 -4.76 1.54 -0.04 -1.26 -5.07 135.00 126.86 1x5h n PRO 124 Ca -0.16 -1.76 -0.26 0.00 -0.04 0.00 0.00 63.50 61.29 1x5h n PRO 124 Cb 0.50 -1.65 -0.16 0.00 -0.04 0.00 0.00 33.50 32.15 1x5h n PRO 124 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1x5h s GLU 125 N -5.49 1.80 0.04 0.54 2.56 -1.26 -5.14 118.70 111.76 1x5h s GLU 125 Ca 0.71 -0.55 0.07 0.00 0.00 0.00 0.00 54.97 55.21 1x5h s GLU 125 Cb -0.07 -1.52 -0.03 0.00 2.00 0.00 0.00 34.13 34.51 1x5h s GLU 125 CO 0.55 0.16 -0.20 0.54 -0.56 0.00 0.00 175.26 175.75 1x5h s VAL 126 N 0.27 1.62 0.06 3.70 0.11 -1.26 -5.14 120.40 119.76 1x5h s VAL 126 Ca -0.08 -1.19 -0.26 0.00 -2.93 0.00 0.00 61.98 57.51 1x5h s VAL 126 Cb -0.13 -1.41 0.09 0.00 -1.53 0.00 0.00 36.38 33.39 1x5h s VAL 126 CO 0.03 0.18 0.76 -0.55 -3.33 0.00 0.00 175.10 172.19 1x5h s SER 127 N -1.19 -0.47 0.00 3.54 0.15 -1.26 -5.19 113.70 109.28 1x5h s SER 127 Ca 0.07 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1x5h s SER 127 Cb -0.09 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1x5h s SER 127 CO 0.02 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1x5h n GLY 128 N -0.21 1.42 0.65 9.45 0.00 -1.26 -5.17 105.19 110.07 1x5h n GLY 128 Ca -0.13 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.42 -1.42 0.02 1.61 -0.04 -1.26 -5.07 135.00 128.42 1x5h n PRO 129 Ca 0.00 -0.32 -0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1x5h n PRO 129 Cb 0.00 -0.30 -0.00 0.00 -0.04 0.00 0.00 33.50 33.16 1x5h n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5h n SER 130 N -3.35 0.70 -4.34 3.54 7.64 -1.26 -5.12 113.62 111.44 1x5h n SER 130 Ca 0.03 0.09 -0.18 0.00 1.01 0.00 0.00 58.87 59.82 1x5h n SER 130 Cb 0.11 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 1x5h n SER 130 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5h s SER 131 N -5.54 1.54 0.00 6.43 0.15 -1.26 -5.36 113.70 109.65 1x5h s SER 131 Ca -0.02 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1x5h s SER 131 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1x5h s SER 131 CO 0.02 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.36