#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m n SER 2 N 0.00 -3.21 -3.53 1.61 7.64 -1.26 -5.09 113.62 109.78 1x5m n SER 2 Ca 0.00 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1x5m n SER 2 Cb 0.00 -3.94 -0.05 0.00 -1.01 0.00 0.00 64.21 59.20 1x5m n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5m s SER 3 N -0.76 -0.42 0.00 6.43 1.04 -1.26 -5.18 113.70 113.56 1x5m s SER 3 Ca -0.11 0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1x5m s SER 3 Cb 0.01 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.44 1x5m s SER 3 CO 0.54 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.28 1x5m n GLY 4 N 4.08 1.66 0.00 7.32 0.00 -1.26 -5.18 105.19 111.82 1x5m n GLY 4 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1x5m n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5m n SER 5 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.19 113.62 111.66 1x5m n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x5m n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x5m n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5m n SER 6 N 0.00 0.00 -3.22 -3.46 2.88 -1.26 -5.16 113.62 103.41 1x5m n SER 6 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1x5m n SER 6 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1x5m n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5m s GLY 7 N 0.00 -0.41 0.08 0.46 0.00 -1.26 -5.17 107.32 101.02 1x5m s GLY 7 Ca 0.00 2.70 0.05 0.00 0.00 0.00 0.00 44.72 47.47 1x5m s GLY 7 CO 0.00 3.58 -0.14 0.54 0.00 0.00 0.00 173.10 177.09 1x5m s VAL 8 N 2.80 1.12 0.35 1.40 0.11 -1.26 -5.14 120.40 119.78 1x5m s VAL 8 Ca 0.02 -1.41 -0.25 0.00 -2.93 0.00 0.00 61.98 57.41 1x5m s VAL 8 Cb -0.10 -1.17 -0.10 0.00 -1.53 0.00 0.00 36.38 33.48 1x5m s VAL 8 CO -0.14 -0.30 0.96 0.68 -3.33 0.00 0.00 175.10 172.97 1x5m s VAL 9 N -1.56 4.16 -0.13 2.04 -7.23 -1.26 -5.06 120.40 111.37 1x5m s VAL 9 Ca 0.01 1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 61.88 1x5m s VAL 9 Cb -0.08 -3.90 0.02 0.00 0.56 0.00 0.00 36.38 32.98 1x5m s VAL 9 CO 0.02 0.06 -0.10 0.00 -0.31 0.00 0.00 175.10 174.76 1x5m s ALA 10 N -1.70 1.54 1.10 1.32 0.00 -1.26 -5.14 121.76 117.62 1x5m s ALA 10 Ca 0.53 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1x5m s ALA 10 Cb -0.18 -0.96 0.21 0.00 0.00 0.00 0.00 23.12 22.19 1x5m s ALA 10 CO 0.23 -0.39 0.96 -0.35 0.00 0.00 0.00 175.76 176.20 1x5m n PRO 11 N 4.85 -1.85 -1.84 0.00 -0.04 -1.26 -4.90 135.00 129.97 1x5m n PRO 11 Ca -0.14 -1.50 -0.41 0.00 -0.04 0.00 0.00 63.50 61.41 1x5m n PRO 11 Cb 0.50 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1x5m n PRO 11 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1x5m s ILE 12 N -2.94 3.26 -0.18 0.52 -4.36 -1.26 -4.93 121.20 111.31 1x5m s ILE 12 Ca 0.58 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.20 1x5m s ILE 12 Cb -0.03 -3.46 0.04 0.00 1.25 0.00 0.00 42.46 40.25 1x5m s ILE 12 CO 0.42 -0.37 -0.09 0.42 0.24 0.00 0.00 174.94 175.57 1x5m s THR 13 N 8.73 1.46 0.00 8.37 -4.23 -1.26 -5.08 115.64 123.62 1x5m s THR 13 Ca 0.85 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1x5m s THR 13 Cb -0.21 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.08 1x5m s THR 13 CO 0.29 0.19 0.00 0.35 -0.54 0.00 0.00 174.62 174.91 1x5m n THR 14 N 4.76 0.00 0.00 3.99 -2.24 -1.26 -4.93 114.28 114.60 1x5m n THR 14 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1x5m n THR 14 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1x5m n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5m n GLY 15 N 0.00 2.06 3.74 3.38 0.00 -1.26 -5.09 105.19 108.02 1x5m n GLY 15 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1x5m n GLY 15 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5m s TYR 16 N 0.00 2.30 0.03 1.61 -0.85 -1.26 -5.06 117.35 114.12 1x5m s TYR 16 Ca 0.00 1.61 0.02 0.00 -0.52 0.00 0.00 57.07 58.19 1x5m s TYR 16 Cb 0.00 -3.21 -0.02 0.00 0.38 0.00 0.00 41.96 39.11 1x5m s TYR 16 CO 0.00 -2.12 -0.08 0.99 -1.52 0.00 0.00 175.55 172.82 1x5m s THR 17 N -2.56 0.54 0.47 -3.49 2.01 -1.26 -4.56 115.64 106.79 1x5m s THR 17 Ca 0.66 -0.92 -0.21 0.00 0.31 0.00 0.00 61.69 61.53 1x5m s THR 17 Cb -0.21 -0.58 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 1x5m s THR 17 CO 0.51 -0.28 1.03 -0.69 -0.69 0.00 0.00 174.62 174.50 1x5m s VAL 18 N -1.13 3.88 -0.31 3.82 1.01 0.51 -4.76 120.40 123.41 1x5m s VAL 18 Ca -0.07 1.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 1x5m s VAL 18 Cb -0.08 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1x5m s VAL 18 CO 0.00 -0.24 0.20 -0.54 0.00 0.00 0.00 175.10 174.53 1x5m s LYS 19 N -3.19 3.59 -0.85 2.72 1.02 -1.26 0.20 119.74 121.98 1x5m s LYS 19 Ca 0.66 -0.56 -0.25 0.00 0.02 0.00 0.00 55.97 55.84 1x5m s LYS 19 Cb -0.15 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.47 1x5m s LYS 19 CO 0.19 -0.36 1.56 0.42 -0.92 0.00 0.00 175.35 176.24 1x5m s ILE 20 N 1.71 3.68 -0.11 2.17 1.01 -0.31 -4.80 121.20 124.55 1x5m s ILE 20 Ca 0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1x5m s ILE 20 Cb -0.17 -4.64 -0.07 0.00 0.01 0.00 0.00 42.46 37.59 1x5m s ILE 20 CO 0.09 -1.56 0.23 0.28 0.00 0.00 0.00 174.94 173.98 1x5m h SER 21 N 10.98 -0.02 -3.41 3.58 0.02 -1.95 -3.44 113.55 119.31 1x5m h SER 21 Ca -0.04 -0.24 -0.60 0.00 -0.84 0.00 0.00 61.79 60.06 1x5m h SER 21 Cb 1.05 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 1x5m h SER 21 CO 1.31 0.60 0.27 0.21 -1.14 0.00 0.00 176.83 178.08 1x5m s ASN 22 N -5.68 6.66 -0.14 3.07 2.47 -1.26 -5.03 114.94 115.03 1x5m s ASN 22 Ca -0.05 0.81 -0.08 0.00 0.42 0.00 0.00 52.86 53.96 1x5m s ASN 22 Cb -0.01 -2.37 0.05 0.00 -1.45 0.00 0.00 41.25 37.47 1x5m s ASN 22 CO 0.18 -0.43 0.34 -0.72 -3.72 0.00 0.00 177.10 172.75 1x5m s TYR 23 N 2.63 -0.47 0.19 0.43 -0.85 -1.26 -4.78 117.35 113.24 1x5m s TYR 23 Ca 0.29 1.05 -0.29 0.00 -0.52 0.00 0.00 57.07 57.60 1x5m s TYR 23 Cb -0.15 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.27 1x5m s TYR 23 CO 0.08 -0.28 0.92 0.20 -1.52 0.00 0.00 175.55 174.95 1x5m s GLY 24 N 1.23 3.06 -0.00 5.49 0.00 -0.27 -4.95 107.32 111.88 1x5m s GLY 24 Ca -0.09 0.57 -0.07 0.00 0.00 0.00 0.00 44.72 45.14 1x5m s GLY 24 CO -0.10 1.23 0.12 0.66 0.00 0.00 0.00 173.10 175.02 1x5m s TRP 25 N -0.80 0.04 0.02 1.90 1.48 -1.26 0.14 118.94 120.46 1x5m s TRP 25 Ca 0.42 -0.13 -0.07 0.00 -1.06 0.00 0.00 56.10 55.27 1x5m s TRP 25 Cb -0.25 -0.05 -0.00 0.00 -1.16 0.00 0.00 33.47 32.01 1x5m s TRP 25 CO 0.30 -0.26 0.13 -0.51 -4.06 0.00 0.00 176.95 172.55 1x5m s ASP 26 N -1.28 0.09 0.03 -2.66 1.11 -0.43 -4.93 116.67 108.59 1x5m s ASP 26 Ca -0.14 -0.35 0.03 0.00 0.18 0.00 0.00 52.55 52.27 1x5m s ASP 26 Cb -0.07 0.22 -0.02 0.00 1.07 0.00 0.00 42.92 44.12 1x5m s ASP 26 CO 0.01 -0.44 -0.09 0.00 1.18 0.00 0.00 175.17 175.82 1x5m s GLN 27 N -1.98 0.66 0.03 8.23 0.00 -1.26 -2.24 119.66 123.09 1x5m s GLN 27 Ca -0.10 -0.58 -0.01 0.00 -0.00 0.00 0.00 55.36 54.68 1x5m s GLN 27 Cb -0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 33.01 32.36 1x5m s GLN 27 CO -0.01 0.14 -0.02 -1.12 0.00 0.00 0.00 175.29 174.28 1x5m s SER 28 N -0.94 0.29 -0.98 12.60 0.01 -0.94 -4.98 113.70 118.76 1x5m s SER 28 Ca -0.02 -0.62 -0.26 0.00 1.31 0.00 0.00 55.95 56.37 1x5m s SER 28 Cb -0.07 0.13 -0.20 0.00 0.21 0.00 0.00 66.02 66.10 1x5m s SER 28 CO 0.00 -0.39 1.98 0.47 0.41 0.00 0.00 173.24 175.72 1x5m n ASP 29 N 1.18 2.00 0.00 2.44 8.00 -1.26 -2.03 116.55 126.88 1x5m n ASP 29 Ca -0.21 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.71 1x5m n ASP 29 Cb 0.57 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1x5m n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x5m n LYS 30 N 8.09 0.00 -3.92 -1.24 4.76 -1.26 -4.50 118.16 120.09 1x5m n LYS 30 Ca 0.44 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.80 1x5m n LYS 30 Cb 0.46 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.61 1x5m n LYS 30 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1x5m s PHE 31 N 0.00 0.07 -0.01 2.13 0.08 -0.86 -4.08 117.98 115.31 1x5m s PHE 31 Ca 0.00 -0.48 0.07 0.00 0.12 0.00 0.00 56.93 56.63 1x5m s PHE 31 Cb 0.00 0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 42.88 1x5m s PHE 31 CO 0.00 -1.11 -0.21 0.08 -0.10 0.00 0.00 175.22 173.88 1x5m s VAL 32 N -3.96 2.53 -0.05 -0.44 1.01 0.02 -2.20 120.40 117.30 1x5m s VAL 32 Ca 0.16 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1x5m s VAL 32 Cb -0.03 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1x5m s VAL 32 CO 0.08 0.51 0.19 -0.75 0.00 0.00 0.00 175.10 175.13 1x5m s LYS 33 N -0.90 0.34 0.13 2.72 2.20 -0.95 0.13 119.74 123.41 1x5m s LYS 33 Ca 0.12 0.06 0.10 0.00 -0.36 0.00 0.00 55.97 55.89 1x5m s LYS 33 Cb -0.10 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 1x5m s LYS 33 CO 0.01 -0.06 -0.23 0.42 -0.36 0.00 0.00 175.35 175.13 1x5m s ILE 34 N -0.41 2.53 -0.17 5.43 1.09 -0.95 -1.32 121.20 127.40 1x5m s ILE 34 Ca -0.05 -1.69 -0.02 0.00 -1.10 0.00 0.00 60.65 57.79 1x5m s ILE 34 Cb -0.03 -2.15 0.05 0.00 -1.06 0.00 0.00 42.46 39.27 1x5m s ILE 34 CO 0.01 0.06 0.02 -0.31 -0.10 0.00 0.00 174.94 174.62 1x5m s TYR 35 N -1.18 1.02 0.07 3.97 1.51 0.36 -2.16 117.35 120.95 1x5m s TYR 35 Ca 0.17 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1x5m s TYR 35 Cb -0.10 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1x5m s TYR 35 CO 0.08 -0.56 -0.06 0.42 -1.11 0.00 0.00 175.55 174.32 1x5m s ILE 36 N 1.86 3.65 -0.54 2.71 1.09 -0.90 -1.11 121.20 127.95 1x5m s ILE 36 Ca 0.00 -1.06 -0.20 0.00 -1.10 0.00 0.00 60.65 58.29 1x5m s ILE 36 Cb -0.16 -2.69 0.06 0.00 -1.06 0.00 0.00 42.46 38.62 1x5m s ILE 36 CO -0.07 0.18 0.72 -0.89 -0.10 0.00 0.00 174.94 174.78 1x5m s THR 37 N -1.19 4.73 -0.26 2.92 2.01 -1.26 -1.51 115.64 121.07 1x5m s THR 37 Ca 0.22 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1x5m s THR 37 Cb -0.11 -4.40 0.09 0.00 0.01 0.00 0.00 72.50 68.08 1x5m s THR 37 CO 0.14 -0.97 0.09 -0.22 -0.69 0.00 0.00 174.62 172.97 1x5m s LEU 38 N 2.99 1.28 -0.49 4.42 1.98 -0.32 -4.95 118.68 123.59 1x5m s LEU 38 Ca 0.18 -1.24 -0.29 0.00 -2.89 0.00 0.00 54.13 49.89 1x5m s LEU 38 Cb -0.19 -0.58 0.02 0.00 0.66 0.00 0.00 46.19 46.10 1x5m s LEU 38 CO 0.12 -0.39 1.24 -0.89 -1.89 0.00 0.00 176.35 174.54 1x5m s THR 39 N 1.87 4.07 0.00 3.68 2.01 -1.25 -2.73 115.64 123.29 1x5m s THR 39 Ca 0.06 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1x5m s THR 39 Cb -0.17 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 67.82 1x5m s THR 39 CO -0.23 -1.02 0.00 0.61 -0.69 0.00 0.00 174.62 173.28 1x5m n GLY 40 N 4.98 1.74 0.33 4.40 0.00 -1.26 -4.11 105.19 111.26 1x5m n GLY 40 Ca 0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.34 1x5m n GLY 40 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1x5m h VAL 41 N 0.00 0.19 -0.10 1.61 3.04 -1.87 1.00 116.25 120.12 1x5m h VAL 41 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1x5m h VAL 41 Cb 0.00 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1x5m h VAL 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1x5m n HIS 42 N -3.34 0.12 -0.03 3.17 1.44 -1.26 -3.71 115.22 111.61 1x5m n HIS 42 Ca -0.02 -0.06 -0.02 0.00 -2.01 0.00 0.00 57.72 55.61 1x5m n HIS 42 Cb 0.12 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.18 1x5m n HIS 42 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1x5m n GLN 43 N 0.25 2.25 -2.33 -1.40 6.02 0.33 -5.00 117.38 117.50 1x5m n GLN 43 Ca 0.17 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.82 1x5m n GLN 43 Cb 0.34 -1.17 -0.02 0.00 1.02 0.00 0.00 30.24 30.41 1x5m n GLN 43 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1x5m s VAL 44 N -2.25 4.02 0.89 5.09 -7.23 -0.09 -5.04 120.40 115.79 1x5m s VAL 44 Ca -0.03 1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 61.08 1x5m s VAL 44 Cb 0.03 -3.50 0.13 0.00 0.56 0.00 0.00 36.38 33.60 1x5m s VAL 44 CO 0.28 -0.46 1.13 -2.16 -0.31 0.00 0.00 175.10 173.58 1x5m s PRO 45 N -3.77 1.30 0.00 4.82 0.04 -1.26 -4.92 135.00 131.21 1x5m s PRO 45 Ca 0.63 0.35 0.21 0.00 0.04 0.00 0.00 61.00 62.24 1x5m s PRO 45 Cb -0.14 -1.85 1.14 0.00 0.04 0.00 0.00 34.50 33.68 1x5m s PRO 45 CO 0.29 -2.10 1.67 -2.37 0.04 0.00 0.00 177.00 174.53 1x5m n THR 46 N -3.71 0.24 0.08 1.26 5.66 -1.26 -2.23 114.28 114.32 1x5m n THR 46 Ca 0.07 0.06 0.01 0.00 -3.05 0.00 0.00 64.05 61.13 1x5m n THR 46 Cb 0.59 -0.72 -0.04 0.00 -1.55 0.00 0.00 70.33 68.61 1x5m n THR 46 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1x5m h GLU 47 N 0.00 0.00 0.00 1.09 4.11 -2.01 -3.23 114.58 114.55 1x5m h GLU 47 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5m h GLU 47 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x5m h GLU 47 CO 0.00 0.43 -0.49 0.09 0.07 0.00 0.00 179.01 179.10 1x5m n ASN 48 N -3.06 0.49 -4.20 3.06 3.02 -0.95 -4.65 115.26 108.97 1x5m n ASN 48 Ca -0.04 -0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.01 1x5m n ASN 48 Cb 0.80 0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 40.04 1x5m n ASN 48 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x5m s VAL 49 N -3.03 3.57 -0.26 2.41 1.01 -1.21 -0.07 120.40 122.82 1x5m s VAL 49 Ca 0.10 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 1x5m s VAL 49 Cb 0.17 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1x5m s VAL 49 CO 0.69 -0.45 -0.07 -1.10 0.00 0.00 0.00 175.10 174.18 1x5m s GLN 50 N 1.28 2.62 -0.02 2.72 -0.21 -0.49 -4.86 119.66 120.71 1x5m s GLN 50 Ca 0.03 -1.12 0.04 0.00 0.02 0.00 0.00 55.36 54.33 1x5m s GLN 50 Cb -0.22 -2.98 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1x5m s GLN 50 CO -0.01 -0.48 -0.12 0.54 -2.12 0.00 0.00 175.29 173.10 1x5m s VAL 51 N 1.26 0.99 -0.06 1.09 0.11 -1.26 0.17 120.40 122.71 1x5m s VAL 51 Ca -0.03 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1x5m s VAL 51 Cb -0.18 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1x5m s VAL 51 CO -0.04 0.29 -0.14 -2.28 -3.33 0.00 0.00 175.10 169.60 1x5m s HIS 52 N -0.16 1.51 0.02 1.54 5.04 0.10 -4.96 115.29 118.38 1x5m s HIS 52 Ca 0.02 -0.51 -0.01 0.00 -1.54 0.00 0.00 55.06 53.02 1x5m s HIS 52 Cb -0.06 -1.07 -0.04 0.00 0.04 0.00 0.00 32.58 31.45 1x5m s HIS 52 CO -0.00 -0.23 0.18 -0.06 -2.34 0.00 0.00 174.74 172.29 1x5m s PHE 53 N 0.42 3.51 0.00 3.88 0.08 -1.26 -0.34 117.98 124.28 1x5m s PHE 53 Ca -0.11 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.24 1x5m s PHE 53 Cb -0.14 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1x5m s PHE 53 CO 0.03 0.61 0.00 0.25 -0.10 0.00 0.00 175.22 176.02 1x5m n THR 54 N 0.67 0.00 0.08 0.64 -2.24 -0.45 -4.80 114.28 108.18 1x5m n THR 54 Ca -0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1x5m n THR 54 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 1x5m n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x5m h GLU 55 N 0.00 0.63 -1.25 -0.78 4.11 -1.97 -3.37 114.58 111.94 1x5m h GLU 55 Ca 0.00 -0.78 -0.39 0.00 0.07 0.00 0.00 59.36 58.26 1x5m h GLU 55 Cb 0.00 0.25 -0.37 0.00 0.50 0.00 0.00 28.75 29.13 1x5m h GLU 55 CO 0.00 1.34 -1.10 0.54 0.07 0.00 0.00 179.01 179.87 1x5m n ARG 56 N -3.80 1.07 0.00 1.06 5.12 -1.26 0.18 116.66 119.04 1x5m n ARG 56 Ca -0.12 -3.13 0.00 0.00 -1.93 0.00 0.00 57.85 52.67 1x5m n ARG 56 Cb 0.95 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.93 1x5m n ARG 56 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1x5m n SER 57 N 0.05 0.00 -3.57 0.55 3.41 -1.26 -2.28 113.62 110.52 1x5m n SER 57 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1x5m n SER 57 Cb 0.76 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 1x5m n SER 57 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x5m s PHE 58 N -2.00 -0.48 0.01 7.33 -0.12 -0.56 -1.34 117.98 120.81 1x5m s PHE 58 Ca 0.00 0.93 0.01 0.00 -0.05 0.00 0.00 56.93 57.82 1x5m s PHE 58 Cb 0.00 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1x5m s PHE 58 CO 0.00 -0.24 0.05 0.16 -0.05 0.00 0.00 175.22 175.14 1x5m s ASP 59 N 1.57 5.43 -0.12 1.98 -4.77 0.54 -0.69 116.67 120.60 1x5m s ASP 59 Ca -0.07 0.07 -0.04 0.00 -3.30 0.00 0.00 52.55 49.21 1x5m s ASP 59 Cb -0.04 -1.49 0.06 0.00 -1.09 0.00 0.00 42.92 40.36 1x5m s ASP 59 CO -0.15 0.27 0.15 -0.22 0.70 0.00 0.00 175.17 175.92 1x5m s LEU 60 N -1.72 0.01 0.08 2.11 0.20 0.57 0.01 118.68 119.93 1x5m s LEU 60 Ca 0.22 0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.09 1x5m s LEU 60 Cb -0.12 0.17 -0.04 0.00 -0.43 0.00 0.00 46.19 45.77 1x5m s LEU 60 CO 0.13 -0.28 0.00 -0.22 -0.29 0.00 0.00 176.35 175.69 1x5m s LEU 61 N 2.26 3.48 -0.17 -0.68 1.98 0.45 0.88 118.68 126.87 1x5m s LEU 61 Ca 0.04 -0.16 -0.04 0.00 -2.89 0.00 0.00 54.13 51.08 1x5m s LEU 61 Cb -0.14 -2.19 0.08 0.00 0.66 0.00 0.00 46.19 44.60 1x5m s LEU 61 CO -0.08 0.18 0.20 -0.69 -1.89 0.00 0.00 176.35 174.08 1x5m s VAL 62 N -1.29 -0.29 0.31 1.68 1.01 0.19 -1.40 120.40 120.61 1x5m s VAL 62 Ca 0.25 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1x5m s VAL 62 Cb -0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1x5m s VAL 62 CO 0.18 -0.14 0.19 -0.54 0.00 0.00 0.00 175.10 174.79 1x5m s LYS 63 N 2.30 2.60 -0.01 2.72 1.02 0.89 0.11 119.74 129.37 1x5m s LYS 63 Ca 0.05 -1.34 -0.00 0.00 0.02 0.00 0.00 55.97 54.70 1x5m s LYS 63 Cb -0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1x5m s LYS 63 CO -0.10 0.19 0.00 -1.71 -0.92 0.00 0.00 175.35 172.81 1x5m n ASN 64 N -1.20 -6.70 0.00 2.83 2.85 -1.25 -4.79 115.26 106.99 1x5m n ASN 64 Ca -0.04 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 54.93 1x5m n ASN 64 Cb 0.60 -1.76 0.00 0.00 1.24 0.00 0.00 39.78 39.86 1x5m n ASN 64 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1x5m n LEU 65 N 1.37 0.00 -4.03 1.20 7.94 0.59 -4.78 117.00 119.29 1x5m n LEU 65 Ca -0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1x5m n LEU 65 Cb 0.43 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.37 1x5m n LEU 65 CO 0.02 0.00 2.34 -3.20 -1.11 0.00 0.00 177.39 175.44 1x5m n ASN 66 N 0.00 4.01 -1.27 1.96 2.85 -1.26 -4.05 115.26 117.51 1x5m n ASN 66 Ca 0.00 -2.84 -0.15 0.00 -0.11 0.00 0.00 54.58 51.48 1x5m n ASN 66 Cb 0.00 -1.63 -0.06 0.00 1.24 0.00 0.00 39.78 39.33 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5m n GLY 67 N 4.65 1.32 3.81 8.20 0.00 -1.26 -4.90 105.19 117.01 1x5m n GLY 67 Ca 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1x5m n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x5m n LYS 68 N -2.54 0.46 -4.39 1.61 2.85 -1.26 -5.13 118.16 109.77 1x5m n LYS 68 Ca -0.16 -1.18 -0.26 0.00 -1.05 0.00 0.00 58.31 55.65 1x5m n LYS 68 Cb 0.53 1.69 -0.12 0.00 -0.65 0.00 0.00 35.03 36.48 1x5m n LYS 68 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x5m s SER 69 N -3.53 3.21 0.10 -5.58 0.01 -1.26 0.22 113.70 106.86 1x5m s SER 69 Ca 0.25 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.75 1x5m s SER 69 Cb -0.02 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 1x5m s SER 69 CO 0.03 0.10 -0.16 -0.31 0.41 0.00 0.00 173.24 173.31 1x5m s TYR 70 N -1.56 1.46 0.01 2.43 1.51 0.31 0.19 117.35 121.70 1x5m s TYR 70 Ca 0.17 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1x5m s TYR 70 Cb -0.08 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1x5m s TYR 70 CO 0.08 0.13 -0.05 -1.54 -1.11 0.00 0.00 175.55 173.06 1x5m s SER 71 N -1.98 0.59 -0.19 2.29 1.04 0.54 0.54 113.70 116.54 1x5m s SER 71 Ca 0.04 -0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 1x5m s SER 71 Cb -0.09 -0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.10 1x5m s SER 71 CO 0.03 -0.05 0.39 -0.32 0.98 0.00 0.00 173.24 174.27 1x5m s MET 72 N -0.65 0.29 0.02 4.02 0.00 0.25 -1.16 119.30 122.07 1x5m s MET 72 Ca -0.03 0.95 0.02 0.00 0.00 0.00 0.00 55.69 56.63 1x5m s MET 72 Cb -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 34.83 34.98 1x5m s MET 72 CO -0.00 -0.28 -0.07 0.42 0.00 0.00 0.00 175.02 175.09 1x5m s ILE 73 N 2.57 0.53 -0.12 10.11 1.01 -1.26 0.21 121.20 134.25 1x5m s ILE 73 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1x5m s ILE 73 Cb -0.12 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.85 1x5m s ILE 73 CO -0.12 -0.11 -0.10 0.68 0.00 0.00 0.00 174.94 175.29 1x5m s VAL 74 N -0.74 1.21 -0.15 2.92 -7.23 0.13 -4.98 120.40 111.55 1x5m s VAL 74 Ca -0.03 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1x5m s VAL 74 Cb -0.06 -1.18 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 1x5m s VAL 74 CO 0.00 0.40 -0.15 0.20 -0.31 0.00 0.00 175.10 175.24 1x5m s ASN 75 N 1.57 3.74 0.00 4.85 0.01 -1.26 -1.49 114.94 122.35 1x5m s ASN 75 Ca 0.04 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 1x5m s ASN 75 Cb -0.13 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.96 1x5m s ASN 75 CO -0.08 0.10 0.00 0.59 -1.51 0.00 0.00 177.10 176.20 1x5m n ASN 76 N 3.93 -1.58 -4.59 -1.22 3.02 -1.08 -4.80 115.26 108.94 1x5m n ASN 76 Ca -0.19 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.02 1x5m n ASN 76 Cb 0.52 -0.79 -0.11 0.00 -0.61 0.00 0.00 39.78 38.79 1x5m n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5m s LEU 77 N 0.00 3.45 0.27 3.41 1.43 -0.96 -2.70 118.68 123.57 1x5m s LEU 77 Ca 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1x5m s LEU 77 Cb 0.00 -1.82 0.44 0.00 0.03 0.00 0.00 46.19 44.84 1x5m s LEU 77 CO 0.00 0.25 1.50 -0.11 0.23 0.00 0.00 176.35 178.22 1x5m n LEU 78 N 2.99 -0.35 -4.37 1.79 7.94 -1.17 -4.45 117.00 119.38 1x5m n LEU 78 Ca -0.18 1.65 -0.21 0.00 -1.11 0.00 0.00 56.01 56.17 1x5m n LEU 78 Cb 0.53 -0.50 -0.10 0.00 0.53 0.00 0.00 43.42 43.88 1x5m n LEU 78 CO 0.31 -1.58 -0.46 -0.54 -1.11 0.00 0.00 177.39 174.01 1x5m s LYS 79 N -6.20 1.40 0.85 1.96 -0.14 -1.26 -4.95 119.74 111.39 1x5m s LYS 79 Ca -0.14 -1.59 -0.12 0.00 -1.36 0.00 0.00 55.97 52.76 1x5m s LYS 79 Cb 0.26 -1.35 0.10 0.00 -1.68 0.00 0.00 37.83 35.16 1x5m s LYS 79 CO 0.75 0.25 1.11 -1.25 -0.76 0.00 0.00 175.35 175.45 1x5m s PRO 80 N -3.38 1.67 0.07 -1.68 0.04 -1.26 -4.78 135.00 125.68 1x5m s PRO 80 Ca 0.23 0.49 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 1x5m s PRO 80 Cb -0.03 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1x5m s PRO 80 CO 0.09 -1.87 0.10 0.96 0.04 0.00 0.00 177.00 176.32 1x5m s ILE 81 N -3.21 0.17 -0.24 0.56 -5.25 0.49 -2.41 121.20 111.32 1x5m s ILE 81 Ca 0.62 -1.43 -0.19 0.00 -0.99 0.00 0.00 60.65 58.66 1x5m s ILE 81 Cb -0.15 -1.40 -0.03 0.00 2.95 0.00 0.00 42.46 43.83 1x5m s ILE 81 CO 0.54 -0.79 0.55 -0.55 -1.79 0.00 0.00 174.94 172.90 1x5m s SER 82 N -2.87 6.52 0.00 4.36 0.15 -1.07 -4.20 113.70 116.59 1x5m s SER 82 Ca 0.06 0.62 -0.04 0.00 0.70 0.00 0.00 55.95 57.29 1x5m s SER 82 Cb 0.06 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1x5m s SER 82 CO -0.10 -0.28 0.71 0.58 1.20 0.00 0.00 173.24 175.34 1x5m h VAL 83 N 5.33 0.00 -0.99 4.45 2.07 -1.87 1.49 116.25 126.72 1x5m h VAL 83 Ca -0.30 -0.06 0.36 0.00 0.82 0.00 0.00 66.70 67.52 1x5m h VAL 83 Cb 1.14 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.74 1x5m h VAL 83 CO 0.74 0.00 0.51 -0.33 0.02 0.00 0.00 177.57 178.50 1x5m h GLU 84 N -0.21 0.15 0.04 1.57 5.08 -1.93 1.48 114.58 120.76 1x5m h GLU 84 Ca -0.02 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 1x5m h GLU 84 Cb 0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1x5m h GLU 84 CO 0.03 0.10 -1.05 0.78 -1.00 0.00 0.00 179.01 177.87 1x5m h GLY 85 N 0.15 0.13 -3.81 -3.84 0.00 -1.97 -3.45 103.07 90.28 1x5m h GLY 85 Ca 0.77 -0.31 -0.56 0.00 0.00 0.00 0.00 47.33 47.23 1x5m h GLY 85 CO -0.70 0.27 0.54 1.44 0.00 0.00 0.00 176.54 178.09 1x5m n SER 86 N -3.47 2.80 -3.95 0.19 7.64 0.51 -4.64 113.62 112.70 1x5m n SER 86 Ca -0.03 1.15 -0.08 0.00 1.01 0.00 0.00 58.87 60.91 1x5m n SER 86 Cb 0.94 -1.52 -0.09 0.00 -1.01 0.00 0.00 64.21 62.53 1x5m n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5m s SER 87 N -0.43 0.26 0.03 6.43 0.01 0.27 -4.91 113.70 115.35 1x5m s SER 87 Ca 0.59 -0.75 0.08 0.00 1.31 0.00 0.00 55.95 57.18 1x5m s SER 87 Cb -0.51 0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1x5m s SER 87 CO 0.60 -0.64 -0.23 -0.75 0.41 0.00 0.00 173.24 172.62 1x5m s LYS 88 N -3.65 1.67 0.17 12.44 2.36 -1.26 0.64 119.74 132.12 1x5m s LYS 88 Ca 0.04 -0.96 0.02 0.00 -2.55 0.00 0.00 55.97 52.51 1x5m s LYS 88 Cb 0.05 -1.76 -0.05 0.00 -1.05 0.00 0.00 37.83 35.02 1x5m s LYS 88 CO -0.09 0.46 0.00 0.15 1.55 0.00 0.00 175.35 177.42 1x5m s LYS 89 N -1.01 1.11 -0.05 4.03 1.02 0.63 -4.89 119.74 120.59 1x5m s LYS 89 Ca 0.09 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.55 1x5m s LYS 89 Cb -0.09 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.98 1x5m s LYS 89 CO 0.01 -0.13 -0.02 0.08 -0.92 0.00 0.00 175.35 174.37 1x5m s VAL 90 N -3.66 0.40 0.51 3.17 1.01 -1.26 0.23 120.40 120.80 1x5m s VAL 90 Ca 0.24 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1x5m s VAL 90 Cb 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.97 1x5m s VAL 90 CO 0.04 0.22 0.33 -1.59 0.00 0.00 0.00 175.10 174.10 1x5m s LYS 91 N 1.30 2.27 -0.11 2.72 -2.85 0.60 -4.86 119.74 118.80 1x5m s LYS 91 Ca -0.05 -2.00 -0.34 0.00 -1.00 0.00 0.00 55.97 52.58 1x5m s LYS 91 Cb -0.13 -2.05 -0.11 0.00 -2.06 0.00 0.00 37.83 33.47 1x5m s LYS 91 CO -0.02 -0.50 1.92 2.41 0.10 0.00 0.00 175.35 179.26 1x5m n THR 92 N -1.63 0.56 -3.17 3.79 -1.04 -1.26 -0.78 114.28 110.75 1x5m n THR 92 Ca -0.03 -0.13 -0.18 0.00 -2.04 0.00 0.00 64.05 61.68 1x5m n THR 92 Cb 0.64 -1.91 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 1x5m n THR 92 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1x5m n ASP 93 N 7.10 -2.46 -3.67 8.00 5.75 -1.26 -4.87 116.55 125.14 1x5m n ASP 93 Ca 0.24 -0.17 -0.15 0.00 -0.01 0.00 0.00 54.79 54.70 1x5m n ASP 93 Cb 0.30 -2.13 -0.08 0.00 -1.03 0.00 0.00 41.12 38.18 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5m s THR 94 N -2.63 0.01 -0.13 2.12 2.01 0.04 -1.18 115.64 115.89 1x5m s THR 94 Ca 0.29 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1x5m s THR 94 Cb -0.16 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1x5m s THR 94 CO 0.36 -0.06 -0.12 0.54 -0.69 0.00 0.00 174.62 174.65 1x5m s VAL 95 N -0.48 3.16 -0.01 3.82 0.11 -0.57 0.22 120.40 126.65 1x5m s VAL 95 Ca -0.06 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1x5m s VAL 95 Cb -0.03 -2.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 1x5m s VAL 95 CO 0.04 0.52 0.09 -0.76 -3.33 0.00 0.00 175.10 171.66 1x5m s LEU 96 N 0.31 3.96 -0.38 2.54 1.43 0.63 -2.13 118.68 125.03 1x5m s LEU 96 Ca -0.09 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1x5m s LEU 96 Cb -0.16 -2.28 0.14 0.00 0.03 0.00 0.00 46.19 43.92 1x5m s LEU 96 CO 0.05 0.28 0.21 -0.63 0.23 0.00 0.00 176.35 176.50 1x5m s ILE 97 N -1.19 0.62 -0.16 -0.59 -1.09 -0.92 -0.26 121.20 117.61 1x5m s ILE 97 Ca 0.23 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.38 1x5m s ILE 97 Cb -0.12 -1.45 -0.01 0.00 -1.58 0.00 0.00 42.46 39.30 1x5m s ILE 97 CO 0.14 -0.94 1.20 -0.76 -1.23 0.00 0.00 174.94 173.36 1x5m s LEU 98 N 0.86 4.18 -0.24 2.97 1.43 0.21 -2.25 118.68 125.84 1x5m s LEU 98 Ca 0.17 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1x5m s LEU 98 Cb -0.23 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1x5m s LEU 98 CO -0.01 -0.71 -0.13 0.00 0.23 0.00 0.00 176.35 175.72 1x5m n ARG 100 N 4.48 1.24 -3.32 0.00 5.12 -1.26 -0.80 116.66 122.12 1x5m n ARG 100 Ca -0.16 0.47 -0.41 0.00 -1.93 0.00 0.00 57.85 55.82 1x5m n ARG 100 Cb 0.44 -2.36 -0.09 0.00 -1.16 0.00 0.00 32.46 29.29 1x5m n ARG 100 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x5m s LYS 101 N -2.85 3.65 0.58 5.56 1.02 -1.26 -2.60 119.74 123.84 1x5m s LYS 101 Ca 0.75 -0.23 0.28 0.00 0.02 0.00 0.00 55.97 56.78 1x5m s LYS 101 Cb -0.42 -3.79 1.70 0.00 -0.52 0.00 0.00 37.83 34.80 1x5m s LYS 101 CO 0.47 -0.55 2.19 -0.22 -0.92 0.00 0.00 175.35 176.33 1x5m h LYS 102 N 8.42 0.00 -2.18 1.68 3.11 -1.77 -3.38 116.57 122.44 1x5m h LYS 102 Ca -0.29 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.37 1x5m h LYS 102 Cb 1.14 0.00 -0.31 0.00 -1.00 0.00 0.00 32.23 32.06 1x5m h LYS 102 CO 0.72 0.00 -0.50 0.14 -2.81 0.00 0.00 179.45 177.01 1x5m s VAL 103 N -4.69 -0.54 1.17 2.00 -7.23 -1.26 -5.02 120.40 104.82 1x5m s VAL 103 Ca -0.05 -0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.94 1x5m s VAL 103 Cb 0.15 -0.73 0.27 0.00 0.56 0.00 0.00 36.38 36.63 1x5m s VAL 103 CO 0.57 -0.09 1.07 -1.61 -0.31 0.00 0.00 175.10 174.73 1x5m s GLU 104 N 2.50 -0.93 -1.11 4.82 8.01 -1.26 -4.25 118.70 126.49 1x5m s GLU 104 Ca 0.09 0.26 -0.09 0.00 0.01 0.00 0.00 54.97 55.24 1x5m s GLU 104 Cb -0.15 -1.60 -0.04 0.00 -4.31 0.00 0.00 34.13 28.03 1x5m s GLU 104 CO -0.14 -3.59 0.88 0.09 0.01 0.00 0.00 175.26 172.51 1x5m n ASN 105 N -4.73 -5.44 -3.81 -0.19 3.02 -1.26 -4.95 115.26 97.89 1x5m n ASN 105 Ca 0.09 -0.78 -0.12 0.00 -0.03 0.00 0.00 54.58 53.73 1x5m n ASN 105 Cb 0.58 -4.67 -0.10 0.00 -0.61 0.00 0.00 39.78 34.98 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x5m s THR 106 N -3.43 0.05 0.05 3.41 2.01 -1.26 -5.08 115.64 111.39 1x5m s THR 106 Ca 0.38 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1x5m s THR 106 Cb -0.08 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1x5m s THR 106 CO 0.77 -0.22 0.03 -0.60 -0.69 0.00 0.00 174.62 173.91 1x5m s ARG 107 N -0.91 2.76 -0.38 4.92 6.06 -1.26 -4.48 118.95 125.66 1x5m s ARG 107 Ca -0.10 -0.69 -0.01 0.00 -2.50 0.00 0.00 55.73 52.44 1x5m s ARG 107 Cb -0.05 -2.66 0.10 0.00 0.06 0.00 0.00 34.95 32.40 1x5m s ARG 107 CO 0.02 0.59 0.15 -1.58 -2.50 0.00 0.00 175.30 171.97 1x5m s TRP 108 N -1.24 3.63 0.08 5.12 0.52 -1.26 -4.92 118.94 120.87 1x5m s TRP 108 Ca 0.24 -2.58 0.33 0.00 0.02 0.00 0.00 56.10 54.11 1x5m s TRP 108 Cb -0.12 -3.08 1.52 0.00 -1.15 0.00 0.00 33.47 30.64 1x5m s TRP 108 CO 0.16 -0.96 1.99 -0.44 0.02 0.00 0.00 176.95 177.72 1x5m h ASP 109 N 7.91 0.00 -3.19 2.95 3.32 -1.98 -3.42 116.42 122.01 1x5m h ASP 109 Ca -0.11 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1x5m h ASP 109 Cb 1.04 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 1x5m h ASP 109 CO 0.63 0.00 0.16 -0.31 -1.72 0.00 0.00 179.24 178.01 1x5m s TYR 110 N -3.69 -0.84 0.30 4.55 2.02 -1.26 -4.94 117.35 113.48 1x5m s TYR 110 Ca 0.00 1.80 0.01 0.00 -0.37 0.00 0.00 57.07 58.51 1x5m s TYR 110 Cb 0.10 0.46 0.73 0.00 -0.40 0.00 0.00 41.96 42.85 1x5m s TYR 110 CO 0.45 -0.41 1.59 1.25 -1.57 0.00 0.00 175.55 176.85 1x5m h LEU 111 N 6.01 -0.36 -9.51 -1.29 6.46 -1.96 -3.37 115.31 111.30 1x5m h LEU 111 Ca -0.29 0.26 -0.57 0.00 -0.12 0.00 0.00 57.88 57.16 1x5m h LEU 111 Cb 1.20 0.43 -0.13 0.00 -0.73 0.00 0.00 40.66 41.42 1x5m h LEU 111 CO 0.13 -0.31 -0.60 0.42 -0.62 0.00 0.00 178.44 177.47 1x5m s THR 112 N -5.99 1.59 0.07 1.05 -4.23 -1.26 -3.03 115.64 103.84 1x5m s THR 112 Ca -0.13 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.24 1x5m s THR 112 Cb 0.28 -2.85 -0.24 0.00 1.34 0.00 0.00 72.50 71.03 1x5m s THR 112 CO 0.77 0.00 1.17 1.56 -0.54 0.00 0.00 174.62 177.59 1x5m h GLN 113 N 1.88 0.67 -0.66 3.99 4.20 -1.75 -3.29 115.11 120.16 1x5m h GLN 113 Ca -0.42 -0.73 0.06 0.00 0.06 0.00 0.00 58.65 57.61 1x5m h GLN 113 Cb 1.25 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 29.16 1x5m h GLN 113 CO 0.75 1.31 -0.39 0.28 -0.67 0.00 0.00 178.83 180.11 1x5m h VAL 114 N 0.33 0.00 -0.62 -0.54 2.07 -1.89 0.47 116.25 116.07 1x5m h VAL 114 Ca -0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.51 1x5m h VAL 114 Cb 1.67 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.32 1x5m h VAL 114 CO 0.20 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 177.49 1x5m h GLU 115 N -0.00 -0.06 0.00 1.57 4.81 -1.97 0.58 114.58 119.52 1x5m h GLU 115 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1x5m h GLU 115 Cb 0.27 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1x5m h GLU 115 CO -0.62 -0.04 -0.01 -0.22 -0.73 0.00 0.00 179.01 177.39 1x5m h LYS 116 N -0.06 -0.01 -0.68 1.92 3.64 -0.36 1.41 116.57 122.42 1x5m h LYS 116 Ca 0.28 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 1x5m h LYS 116 Cb 0.50 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 1x5m h LYS 116 CO -0.66 -0.01 -0.40 0.39 -2.27 0.00 0.00 179.45 176.49 1x5m n GLU 117 N -2.45 -0.30 0.10 1.90 -0.58 0.11 0.18 120.64 119.61 1x5m n GLU 117 Ca -0.00 1.26 -0.15 0.00 -0.42 0.00 0.00 57.16 57.85 1x5m n GLU 117 Cb 0.01 -1.86 -0.09 0.00 -0.57 0.00 0.00 31.44 28.93 1x5m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5m h LYS 119 N -0.70 -0.22 -4.35 0.00 1.79 0.50 -2.95 116.57 110.63 1x5m h LYS 119 Ca 0.01 0.02 -0.75 0.00 -2.18 0.00 0.00 60.65 57.75 1x5m h LYS 119 Cb 0.73 0.05 -0.22 0.00 -1.58 0.00 0.00 32.23 31.21 1x5m h LYS 119 CO -0.28 -0.15 0.78 -1.21 -1.08 0.00 0.00 179.45 177.51 1x5m s GLU 120 N -5.79 3.92 -0.05 3.15 0.41 0.49 -4.80 118.70 116.02 1x5m s GLU 120 Ca -0.14 -2.53 -0.02 0.00 -0.41 0.00 0.00 54.97 51.86 1x5m s GLU 120 Cb 0.13 -4.79 -0.01 0.00 -1.78 0.00 0.00 34.13 27.68 1x5m s GLU 120 CO 0.65 -1.55 -0.05 -0.22 -0.49 0.00 0.00 175.26 173.61 1x5m h LYS 121 N 7.54 0.00 -4.78 1.61 3.11 -1.37 -3.43 116.57 119.25 1x5m h LYS 121 Ca 0.21 0.00 -0.72 0.00 -2.81 0.00 0.00 60.65 57.33 1x5m h LYS 121 Cb 0.94 0.00 -0.19 0.00 -1.00 0.00 0.00 32.23 31.98 1x5m h LYS 121 CO 1.06 0.00 0.94 -1.54 -2.81 0.00 0.00 179.45 177.11 1x5m s SER 122 N -4.34 6.82 0.02 4.20 1.04 -1.26 -4.91 113.70 115.27 1x5m s SER 122 Ca -0.04 -2.49 0.00 0.00 0.48 0.00 0.00 55.95 53.90 1x5m s SER 122 Cb 0.01 -2.38 -0.00 0.00 0.10 0.00 0.00 66.02 63.75 1x5m s SER 122 CO 0.06 -0.88 0.02 0.61 0.98 0.00 0.00 173.24 174.03 1x5m n GLY 123 N 4.78 3.35 2.65 7.32 0.00 -1.26 -5.04 105.19 117.00 1x5m n GLY 123 Ca 0.28 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1x5m n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5m n PRO 124 N -0.03 2.52 0.36 1.61 -0.04 -1.26 -4.61 135.00 133.55 1x5m n PRO 124 Ca 0.00 -1.94 -0.16 0.00 -0.04 0.00 0.00 63.50 61.37 1x5m n PRO 124 Cb 0.03 -2.79 -0.08 0.00 -0.04 0.00 0.00 33.50 30.63 1x5m n PRO 124 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5m h SER 125 N 6.24 -0.80 -3.75 3.54 0.87 -1.96 -3.42 113.55 114.28 1x5m h SER 125 Ca 0.59 0.01 -0.51 0.00 -1.23 0.00 0.00 61.79 60.65 1x5m h SER 125 Cb 0.38 0.21 0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1x5m h SER 125 CO 1.72 -0.44 0.50 -0.44 -0.53 0.00 0.00 176.83 177.65 1x5m s SER 126 N -4.47 7.19 0.00 6.23 0.01 -1.26 -5.28 113.70 116.12 1x5m s SER 126 Ca -0.15 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1x5m s SER 126 Cb 0.02 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1x5m s SER 126 CO 0.47 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.51