#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 -8.38 -3.60 1.61 7.64 -1.26 -5.08 113.62 104.55 1x5m n SER 2 Ca 0.00 1.53 -0.05 0.00 1.01 0.00 0.00 58.87 61.37 1x5m n SER 2 Cb 0.00 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 58.34 1x5m n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5m s SER 3 N -4.39 -0.15 0.00 6.43 0.15 -1.26 -5.16 113.70 109.33 1x5m s SER 3 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1x5m s SER 3 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1x5m s SER 3 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x5m n GLY 4 N 0.15 0.86 1.27 9.45 0.00 -1.26 -5.17 105.19 110.50 1x5m n GLY 4 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -7.00 0.00 1.61 2.88 -1.26 -5.10 113.62 104.75 1x5m n SER 5 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1x5m n SER 5 Cb 0.00 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 59.71 1x5m n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5m n SER 6 N -1.44 0.00 -3.64 -3.46 7.64 -1.26 -5.18 113.62 106.28 1x5m n SER 6 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1x5m n SER 6 Cb 0.14 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1x5m n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5m s GLY 7 N 0.00 0.12 -0.15 0.23 0.00 -1.26 -5.15 107.32 101.11 1x5m s GLY 7 Ca 0.00 3.09 0.01 0.00 0.00 0.00 0.00 44.72 47.82 1x5m s GLY 7 CO 0.00 1.78 -0.18 0.14 0.00 0.00 0.00 173.10 174.84 1x5m s VAL 8 N -0.07 1.81 0.32 1.40 1.01 -1.26 -5.12 120.40 118.49 1x5m s VAL 8 Ca 0.06 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1x5m s VAL 8 Cb -0.04 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 1x5m s VAL 8 CO -0.11 0.50 0.65 -0.69 0.00 0.00 0.00 175.10 175.45 1x5m s VAL 9 N 1.17 4.88 -0.31 2.92 1.01 -1.26 -5.07 120.40 123.75 1x5m s VAL 9 Ca -0.00 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1x5m s VAL 9 Cb -0.14 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1x5m s VAL 9 CO -0.07 -0.32 0.03 0.00 0.00 0.00 0.00 175.10 174.73 1x5m s ALA 10 N -2.11 2.46 -0.34 5.51 0.00 -1.26 -5.08 121.76 120.93 1x5m s ALA 10 Ca 0.48 -2.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.05 1x5m s ALA 10 Cb -0.11 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1x5m s ALA 10 CO 0.27 -1.56 1.37 -1.25 0.00 0.00 0.00 175.76 174.60 1x5m s PRO 11 N 1.14 3.77 0.80 0.00 0.04 -1.26 -5.00 135.00 134.48 1x5m s PRO 11 Ca 0.06 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 1x5m s PRO 11 Cb -0.19 -3.95 0.07 0.00 0.04 0.00 0.00 34.50 30.48 1x5m s PRO 11 CO -0.11 -1.32 1.09 0.96 0.04 0.00 0.00 177.00 177.67 1x5m s ILE 12 N 4.87 3.17 -0.13 0.56 -4.36 -1.26 -5.03 121.20 119.01 1x5m s ILE 12 Ca 0.60 0.38 -0.03 0.00 -0.26 0.00 0.00 60.65 61.34 1x5m s ILE 12 Cb -0.16 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.65 1x5m s ILE 12 CO 0.27 -0.50 -0.04 0.42 0.24 0.00 0.00 174.94 175.34 1x5m s THR 13 N -2.92 3.89 0.16 8.37 -4.23 -1.26 -4.99 115.64 114.67 1x5m s THR 13 Ca 0.62 -0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1x5m s THR 13 Cb -0.17 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.23 1x5m s THR 13 CO 0.56 0.52 0.85 1.07 -0.54 0.00 0.00 174.62 177.09 1x5m n THR 14 N 3.19 -0.23 0.00 3.99 5.66 -1.26 -4.84 114.28 120.78 1x5m n THR 14 Ca -0.18 1.22 0.00 0.00 -3.05 0.00 0.00 64.05 62.05 1x5m n THR 14 Cb 0.53 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 1x5m n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x5m n GLY 15 N -1.31 0.05 3.83 1.09 0.00 -1.26 -5.13 105.19 102.46 1x5m n GLY 15 Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 0.01 0.03 1.61 -0.85 -1.26 -5.17 117.35 111.72 1x5m s TYR 16 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 1x5m s TYR 16 Cb 0.00 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 1x5m s TYR 16 CO 0.00 -0.99 0.12 0.99 -1.52 0.00 0.00 175.55 174.15 1x5m s THR 17 N -2.60 4.91 0.49 -3.49 2.01 -1.26 -4.49 115.64 111.21 1x5m s THR 17 Ca 0.17 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 1x5m s THR 17 Cb -0.03 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 1x5m s THR 17 CO 0.05 0.24 1.02 -0.69 -0.69 0.00 0.00 174.62 174.55 1x5m s VAL 18 N -1.33 4.00 -0.28 3.82 1.01 0.43 -4.76 120.40 123.28 1x5m s VAL 18 Ca 0.28 1.17 -0.09 0.00 0.00 0.00 0.00 61.98 63.34 1x5m s VAL 18 Cb -0.12 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1x5m s VAL 18 CO 0.20 -0.34 0.13 -0.54 0.00 0.00 0.00 175.10 174.55 1x5m s LYS 19 N -3.42 3.58 -0.81 2.72 1.02 -1.26 0.20 119.74 121.76 1x5m s LYS 19 Ca 0.65 -0.55 -0.26 0.00 0.02 0.00 0.00 55.97 55.83 1x5m s LYS 19 Cb -0.14 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 1x5m s LYS 19 CO 0.22 -0.29 1.45 0.42 -0.92 0.00 0.00 175.35 176.23 1x5m s ILE 20 N 1.65 3.70 -0.07 2.17 1.01 -0.56 -4.83 121.20 124.27 1x5m s ILE 20 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1x5m s ILE 20 Cb -0.16 -4.76 -0.00 0.00 0.01 0.00 0.00 42.46 37.55 1x5m s ILE 20 CO 0.06 -1.69 -0.01 0.28 0.00 0.00 0.00 174.94 173.59 1x5m h SER 21 N 10.74 0.00 -3.22 3.58 0.02 -1.96 -3.44 113.55 119.26 1x5m h SER 21 Ca -0.12 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 1x5m h SER 21 Cb 1.05 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.51 1x5m h SER 21 CO 1.31 0.36 0.56 0.21 -1.14 0.00 0.00 176.83 178.13 1x5m s ASN 22 N -4.79 6.93 -0.15 3.07 2.47 -1.26 -5.01 114.94 116.20 1x5m s ASN 22 Ca -0.01 1.15 -0.07 0.00 0.42 0.00 0.00 52.86 54.36 1x5m s ASN 22 Cb 0.00 -2.47 0.06 0.00 -1.45 0.00 0.00 41.25 37.39 1x5m s ASN 22 CO 0.01 -0.55 0.33 -0.72 -3.72 0.00 0.00 177.10 172.45 1x5m s TYR 23 N 2.88 -0.51 0.27 0.43 -0.85 -1.26 -4.77 117.35 113.54 1x5m s TYR 23 Ca 0.38 1.10 -0.30 0.00 -0.52 0.00 0.00 57.07 57.73 1x5m s TYR 23 Cb -0.15 0.15 -0.09 0.00 0.38 0.00 0.00 41.96 42.24 1x5m s TYR 23 CO 0.07 -0.32 1.10 0.20 -1.52 0.00 0.00 175.55 175.07 1x5m s GLY 24 N 1.66 3.04 -0.07 5.49 0.00 -0.10 -4.92 107.32 112.42 1x5m s GLY 24 Ca -0.07 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 45.42 1x5m s GLY 24 CO -0.11 1.51 0.27 0.66 0.00 0.00 0.00 173.10 175.44 1x5m s TRP 25 N -1.06 -0.23 0.28 1.90 1.48 -1.26 0.14 118.94 120.19 1x5m s TRP 25 Ca 0.45 0.51 0.03 0.00 -1.06 0.00 0.00 56.10 56.03 1x5m s TRP 25 Cb -0.32 0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.04 1x5m s TRP 25 CO 0.40 -0.24 0.20 -0.51 -4.06 0.00 0.00 176.95 172.74 1x5m s ASP 26 N -0.47 1.09 -0.10 -2.66 1.11 -0.74 -4.96 116.67 109.93 1x5m s ASP 26 Ca -0.06 -1.58 -0.18 0.00 0.18 0.00 0.00 52.55 50.92 1x5m s ASP 26 Cb -0.04 0.46 0.04 0.00 1.07 0.00 0.00 42.92 44.45 1x5m s ASP 26 CO 0.02 -0.94 0.44 0.00 1.18 0.00 0.00 175.17 175.86 1x5m s GLN 27 N -3.79 0.65 0.03 8.23 0.00 -1.26 -3.09 119.66 120.43 1x5m s GLN 27 Ca 0.39 0.31 -0.01 0.00 -0.00 0.00 0.00 55.36 56.05 1x5m s GLN 27 Cb 0.05 0.30 -0.03 0.00 0.00 0.00 0.00 33.01 33.33 1x5m s GLN 27 CO 0.20 -0.14 -0.02 -1.12 0.00 0.00 0.00 175.29 174.20 1x5m s SER 28 N -0.47 0.35 -0.95 12.60 0.01 -0.89 -5.00 113.70 119.35 1x5m s SER 28 Ca -0.06 -0.72 -0.25 0.00 1.31 0.00 0.00 55.95 56.22 1x5m s SER 28 Cb -0.03 0.15 -0.20 0.00 0.21 0.00 0.00 66.02 66.15 1x5m s SER 28 CO 0.03 -0.44 1.97 0.47 0.41 0.00 0.00 173.24 175.67 1x5m n ASP 29 N 0.90 2.03 0.00 2.44 8.00 -1.26 -2.06 116.55 126.59 1x5m n ASP 29 Ca -0.19 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1x5m n ASP 29 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 8.06 0.00 -3.85 -1.24 5.02 -1.26 -4.55 118.16 120.33 1x5m n LYS 30 Ca 0.44 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1x5m n LYS 30 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.43 1x5m n LYS 30 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1x5m s PHE 31 N 0.00 -0.01 0.04 2.13 0.08 -0.88 -4.06 117.98 115.28 1x5m s PHE 31 Ca 0.00 -0.37 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1x5m s PHE 31 Cb 0.00 0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 42.88 1x5m s PHE 31 CO 0.00 -1.05 -0.25 0.08 -0.10 0.00 0.00 175.22 173.90 1x5m s VAL 32 N -3.93 1.98 0.07 -0.44 1.01 -0.02 -2.09 120.40 116.98 1x5m s VAL 32 Ca 0.14 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 1x5m s VAL 32 Cb -0.03 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1x5m s VAL 32 CO 0.04 0.35 0.16 -1.59 0.00 0.00 0.00 175.10 174.06 1x5m s LYS 33 N -1.12 0.75 0.05 2.72 -2.85 -1.18 0.20 119.74 118.31 1x5m s LYS 33 Ca 0.10 -0.88 0.06 0.00 -1.00 0.00 0.00 55.97 54.26 1x5m s LYS 33 Cb -0.10 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.95 1x5m s LYS 33 CO 0.02 -0.22 -0.18 0.42 0.10 0.00 0.00 175.35 175.49 1x5m s ILE 34 N -3.38 1.41 -0.22 3.79 1.09 -0.87 -1.80 121.20 121.23 1x5m s ILE 34 Ca 0.01 -1.13 0.01 0.00 -1.10 0.00 0.00 60.65 58.44 1x5m s ILE 34 Cb 0.03 -1.25 0.05 0.00 -1.06 0.00 0.00 42.46 40.23 1x5m s ILE 34 CO -0.08 0.10 -0.09 -0.31 -0.10 0.00 0.00 174.94 174.46 1x5m s TYR 35 N -0.85 2.51 0.02 3.97 1.51 0.37 -1.44 117.35 123.45 1x5m s TYR 35 Ca 0.05 -1.73 0.04 0.00 -1.01 0.00 0.00 57.07 54.41 1x5m s TYR 35 Cb -0.08 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1x5m s TYR 35 CO 0.02 -0.77 -0.08 0.42 -1.11 0.00 0.00 175.55 174.03 1x5m s ILE 36 N 1.36 3.57 -0.54 2.71 1.09 -1.02 -0.93 121.20 127.44 1x5m s ILE 36 Ca -0.04 -0.88 -0.21 0.00 -1.10 0.00 0.00 60.65 58.43 1x5m s ILE 36 Cb -0.18 -2.57 0.06 0.00 -1.06 0.00 0.00 42.46 38.71 1x5m s ILE 36 CO -0.07 0.34 0.77 -0.89 -0.10 0.00 0.00 174.94 174.99 1x5m s THR 37 N -1.03 4.65 -0.30 2.92 2.01 -1.26 -1.62 115.64 120.99 1x5m s THR 37 Ca 0.18 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1x5m s THR 37 Cb -0.11 -4.43 0.10 0.00 0.01 0.00 0.00 72.50 68.07 1x5m s THR 37 CO 0.09 -0.99 0.12 -0.22 -0.69 0.00 0.00 174.62 172.92 1x5m s LEU 38 N 3.23 1.42 -0.06 4.42 1.98 0.15 -4.96 118.68 124.86 1x5m s LEU 38 Ca 0.21 -1.51 -0.30 0.00 -2.89 0.00 0.00 54.13 49.64 1x5m s LEU 38 Cb -0.17 -0.62 -0.04 0.00 0.66 0.00 0.00 46.19 46.03 1x5m s LEU 38 CO 0.14 -0.42 1.31 -0.89 -1.89 0.00 0.00 176.35 174.60 1x5m s THR 39 N 1.81 4.04 0.00 3.68 2.01 -1.21 -2.51 115.64 123.45 1x5m s THR 39 Ca 0.10 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.45 1x5m s THR 39 Cb -0.17 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1x5m s THR 39 CO -0.30 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 1x5m n GLY 40 N 3.57 2.85 0.34 4.40 0.00 -1.26 -3.78 105.19 111.30 1x5m n GLY 40 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 0.32 -0.03 1.61 3.04 -1.83 1.55 116.25 120.91 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 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 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 -3.55 0.03 -0.05 3.17 1.44 -1.26 -3.69 115.22 111.32 1x5m n HIS 42 Ca 0.01 -0.02 -0.06 0.00 -2.01 0.00 0.00 57.72 55.64 1x5m n HIS 42 Cb 0.32 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.38 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 -0.30 0.87 -1.69 -1.40 6.02 0.51 -4.99 117.38 116.40 1x5m n GLN 43 Ca 0.20 0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.88 1x5m n GLN 43 Cb 0.24 -1.19 0.06 0.00 1.02 0.00 0.00 30.24 30.37 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 -2.19 2.64 0.91 5.09 -7.23 0.12 -5.01 120.40 114.73 1x5m s VAL 44 Ca -0.11 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 60.28 1x5m s VAL 44 Cb 0.03 -2.95 0.14 0.00 0.56 0.00 0.00 36.38 34.16 1x5m s VAL 44 CO 0.24 -0.15 1.14 -2.16 -0.31 0.00 0.00 175.10 173.86 1x5m s PRO 45 N -3.78 1.18 0.00 4.82 0.04 -1.26 -4.92 135.00 131.07 1x5m s PRO 45 Ca 0.73 0.30 0.22 0.00 0.04 0.00 0.00 61.00 62.30 1x5m s PRO 45 Cb -0.27 -1.84 1.19 0.00 0.04 0.00 0.00 34.50 33.62 1x5m s PRO 45 CO 0.41 -2.18 1.72 -2.37 0.04 0.00 0.00 177.00 174.62 1x5m n THR 46 N -3.75 0.21 0.11 1.26 5.66 -1.26 -2.33 114.28 114.17 1x5m n THR 46 Ca 0.07 0.05 0.02 0.00 -3.05 0.00 0.00 64.05 61.14 1x5m n THR 46 Cb 0.59 -0.69 -0.01 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.00 -3.24 114.58 114.54 1x5m h GLU 47 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1x5m h GLU 47 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x5m h GLU 47 CO 0.00 0.41 -1.06 -0.91 0.07 0.00 0.00 179.01 177.52 1x5m h ASN 48 N 0.00 0.00 -3.36 3.06 2.35 -1.76 -3.42 115.58 112.45 1x5m h ASN 48 Ca -0.05 0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 54.96 1x5m h ASN 48 Cb 1.42 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.52 1x5m h ASN 48 CO 0.06 0.11 -0.27 -0.69 -1.65 0.00 0.00 177.43 174.99 1x5m s VAL 49 N -3.28 4.69 -0.28 2.81 1.01 -1.19 -0.58 120.40 123.59 1x5m s VAL 49 Ca -0.01 -1.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.06 1x5m s VAL 49 Cb 0.09 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1x5m s VAL 49 CO 0.79 -0.85 0.01 -1.10 0.00 0.00 0.00 175.10 173.95 1x5m s GLN 50 N 1.17 2.84 -0.03 2.72 -1.52 -0.39 -4.83 119.66 119.63 1x5m s GLN 50 Ca 0.07 -1.00 0.04 0.00 -1.95 0.00 0.00 55.36 52.52 1x5m s GLN 50 Cb -0.25 -3.19 -0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1x5m s GLN 50 CO -0.01 -0.47 -0.14 0.54 -0.25 0.00 0.00 175.29 174.96 1x5m s VAL 51 N 1.38 1.11 -0.03 1.09 0.11 -1.26 0.20 120.40 123.00 1x5m s VAL 51 Ca -0.00 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1x5m s VAL 51 Cb -0.18 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1x5m s VAL 51 CO -0.01 0.33 -0.18 -2.28 -3.33 0.00 0.00 175.10 169.62 1x5m s HIS 52 N -0.05 1.76 0.01 1.54 5.04 0.12 -4.96 115.29 118.74 1x5m s HIS 52 Ca -0.00 -0.45 0.00 0.00 -1.54 0.00 0.00 55.06 53.07 1x5m s HIS 52 Cb -0.08 -1.16 -0.04 0.00 0.04 0.00 0.00 32.58 31.33 1x5m s HIS 52 CO 0.01 -0.13 0.07 -0.06 -2.34 0.00 0.00 174.74 172.29 1x5m s PHE 53 N -0.13 3.25 0.00 3.88 0.08 -1.26 -0.46 117.98 123.34 1x5m s PHE 53 Ca -0.00 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1x5m s PHE 53 Cb -0.10 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1x5m s PHE 53 CO 0.01 0.54 0.00 0.25 -0.10 0.00 0.00 175.22 175.92 1x5m n THR 54 N 1.12 0.00 0.07 0.64 -2.24 -0.58 -4.80 114.28 108.48 1x5m n THR 54 Ca -0.13 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 1x5m n THR 54 Cb 0.53 0.00 -0.13 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 0.57 -1.40 -0.78 4.11 -1.94 -3.37 114.58 111.77 1x5m h GLU 55 Ca 0.00 -0.73 -0.41 0.00 0.07 0.00 0.00 59.36 58.29 1x5m h GLU 55 Cb 0.00 0.24 -0.38 0.00 0.50 0.00 0.00 28.75 29.11 1x5m h GLU 55 CO 0.00 1.32 -1.14 0.54 0.07 0.00 0.00 179.01 179.80 1x5m n ARG 56 N -3.91 1.06 0.00 1.06 5.12 -1.26 0.21 116.66 118.94 1x5m n ARG 56 Ca -0.13 -3.20 0.00 0.00 -1.93 0.00 0.00 57.85 52.59 1x5m n ARG 56 Cb 0.91 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.79 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 0.10 0.00 -3.59 0.55 3.41 -1.26 -2.16 113.62 110.66 1x5m n SER 57 Ca 0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1x5m n SER 57 Cb 0.74 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.52 -0.01 7.33 -0.12 -0.50 -1.53 117.98 120.63 1x5m s PHE 58 Ca 0.00 1.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.90 1x5m s PHE 58 Cb 0.00 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1x5m s PHE 58 CO 0.00 -0.26 0.02 0.16 -0.05 0.00 0.00 175.22 175.09 1x5m s ASP 59 N 1.53 5.23 -0.12 1.98 -4.77 0.39 -0.68 116.67 120.24 1x5m s ASP 59 Ca -0.08 0.03 -0.04 0.00 -3.30 0.00 0.00 52.55 49.17 1x5m s ASP 59 Cb -0.04 -1.40 0.05 0.00 -1.09 0.00 0.00 42.92 40.44 1x5m s ASP 59 CO -0.15 0.29 0.09 -0.22 0.70 0.00 0.00 175.17 175.88 1x5m s LEU 60 N -1.53 0.23 0.07 2.11 0.20 0.57 0.12 118.68 120.45 1x5m s LEU 60 Ca 0.20 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.75 1x5m s LEU 60 Cb -0.12 -0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.45 1x5m s LEU 60 CO 0.10 -0.31 0.07 -0.22 -0.29 0.00 0.00 176.35 175.71 1x5m s LEU 61 N 2.17 3.78 -0.19 -0.68 1.98 0.53 0.31 118.68 126.59 1x5m s LEU 61 Ca 0.03 -0.00 -0.04 0.00 -2.89 0.00 0.00 54.13 51.23 1x5m s LEU 61 Cb -0.14 -2.44 0.09 0.00 0.66 0.00 0.00 46.19 44.36 1x5m s LEU 61 CO -0.07 0.19 0.26 -0.69 -1.89 0.00 0.00 176.35 174.15 1x5m s VAL 62 N -1.36 -0.40 0.26 1.68 1.01 0.78 -1.26 120.40 121.11 1x5m s VAL 62 Ca 0.28 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.38 1x5m s VAL 62 Cb -0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1x5m s VAL 62 CO 0.21 -0.09 -0.02 -0.54 0.00 0.00 0.00 175.10 174.66 1x5m s LYS 63 N 2.39 2.26 -0.06 2.72 1.02 0.26 0.60 119.74 128.92 1x5m s LYS 63 Ca 0.06 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.64 1x5m s LYS 63 Cb -0.14 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1x5m s LYS 63 CO -0.12 0.37 0.02 -1.71 -0.92 0.00 0.00 175.35 173.00 1x5m n ASN 64 N -0.78 -6.60 0.00 2.83 2.85 -1.26 -4.75 115.26 107.55 1x5m n ASN 64 Ca -0.07 0.77 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 1x5m n ASN 64 Cb 0.59 -2.45 0.00 0.00 1.24 0.00 0.00 39.78 39.16 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 1.53 0.00 -3.68 1.20 7.94 0.56 -4.79 117.00 119.76 1x5m n LEU 65 Ca -0.03 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.44 1x5m n LEU 65 Cb 0.31 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.21 1x5m n LEU 65 CO 0.10 0.00 2.10 -3.20 -1.11 0.00 0.00 177.39 175.29 1x5m n ASN 66 N 0.00 2.61 -1.13 1.96 2.85 -1.25 -3.79 115.26 116.51 1x5m n ASN 66 Ca 0.00 -2.69 -0.15 0.00 -0.11 0.00 0.00 54.58 51.64 1x5m n ASN 66 Cb 0.00 -1.17 -0.06 0.00 1.24 0.00 0.00 39.78 39.79 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 4.59 1.50 3.83 8.20 0.00 -1.26 -4.91 105.19 117.13 1x5m n GLY 67 Ca 0.49 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1x5m n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5m s LYS 68 N -3.26 1.13 0.20 1.61 -2.85 -1.25 -5.12 119.74 110.20 1x5m s LYS 68 Ca 0.00 -0.70 0.11 0.00 -1.00 0.00 0.00 55.97 54.38 1x5m s LYS 68 Cb 0.00 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1x5m s LYS 68 CO 0.00 -0.53 -0.19 -1.54 0.10 0.00 0.00 175.35 173.20 1x5m s SER 69 N -3.28 3.73 0.08 0.03 1.04 -1.26 0.21 113.70 114.25 1x5m s SER 69 Ca 0.19 -0.78 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1x5m s SER 69 Cb -0.01 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 1x5m s SER 69 CO 0.03 0.11 -0.14 -0.31 0.98 0.00 0.00 173.24 173.91 1x5m s TYR 70 N -1.76 1.20 0.01 5.02 1.51 0.20 0.16 117.35 123.70 1x5m s TYR 70 Ca 0.23 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1x5m s TYR 70 Cb -0.08 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1x5m s TYR 70 CO 0.12 0.06 -0.08 -1.54 -1.11 0.00 0.00 175.55 173.00 1x5m s SER 71 N -1.89 0.87 -0.20 2.29 1.04 0.53 -0.15 113.70 116.19 1x5m s SER 71 Ca -0.00 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 1x5m s SER 71 Cb -0.09 -0.05 0.09 0.00 0.10 0.00 0.00 66.02 66.07 1x5m s SER 71 CO 0.02 -0.01 0.42 -0.32 0.98 0.00 0.00 173.24 174.33 1x5m s MET 72 N -0.69 0.33 0.01 4.02 0.00 0.15 -1.50 119.30 121.62 1x5m s MET 72 Ca -0.01 1.02 0.01 0.00 0.00 0.00 0.00 55.69 56.70 1x5m s MET 72 Cb -0.05 0.31 -0.01 0.00 0.00 0.00 0.00 34.83 35.07 1x5m s MET 72 CO 0.00 -0.24 -0.03 0.42 0.00 0.00 0.00 175.02 175.17 1x5m s ILE 73 N 2.51 0.19 -0.13 10.11 1.01 -1.26 0.21 121.20 133.83 1x5m s ILE 73 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1x5m s ILE 73 Cb -0.12 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.16 1x5m s ILE 73 CO -0.13 -0.14 -0.09 0.68 0.00 0.00 0.00 174.94 175.26 1x5m s VAL 74 N -0.54 1.21 -0.15 2.92 -7.23 0.15 -4.98 120.40 111.77 1x5m s VAL 74 Ca -0.04 -0.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1x5m s VAL 74 Cb -0.04 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 1x5m s VAL 74 CO -0.00 0.35 -0.11 0.20 -0.31 0.00 0.00 175.10 175.23 1x5m s ASN 75 N 1.63 4.08 0.00 4.85 0.01 -1.26 -1.40 114.94 122.84 1x5m s ASN 75 Ca 0.04 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1x5m s ASN 75 Cb -0.13 -1.64 0.00 0.00 0.41 0.00 0.00 41.25 39.89 1x5m s ASN 75 CO -0.09 0.12 0.00 0.59 -1.51 0.00 0.00 177.10 176.21 1x5m n ASN 76 N 3.85 -1.69 -4.63 -1.22 3.02 -1.06 -4.79 115.26 108.75 1x5m n ASN 76 Ca -0.18 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.02 1x5m n ASN 76 Cb 0.52 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 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 3.64 0.29 3.41 1.43 -0.92 -2.73 118.68 123.80 1x5m s LEU 77 Ca 0.00 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1x5m s LEU 77 Cb 0.00 -1.88 0.56 0.00 0.03 0.00 0.00 46.19 44.90 1x5m s LEU 77 CO 0.00 0.25 1.56 0.25 0.23 0.00 0.00 176.35 178.65 1x5m h LEU 78 N 6.11 -0.77 -9.04 1.79 5.85 -1.75 -3.40 115.31 114.10 1x5m h LEU 78 Ca -0.41 0.29 -0.55 0.00 0.84 0.00 0.00 57.88 58.06 1x5m h LEU 78 Cb 1.18 0.57 -0.15 0.00 0.37 0.00 0.00 40.66 42.63 1x5m h LEU 78 CO 0.63 -0.34 -0.76 -0.54 -0.34 0.00 0.00 178.44 177.09 1x5m s LYS 79 N -6.17 1.50 0.83 1.25 -0.14 -1.26 -4.96 119.74 110.79 1x5m s LYS 79 Ca -0.14 -1.65 -0.12 0.00 -1.36 0.00 0.00 55.97 52.70 1x5m s LYS 79 Cb 0.28 -1.49 0.09 0.00 -1.68 0.00 0.00 37.83 35.03 1x5m s LYS 79 CO 0.78 0.28 1.11 -1.25 -0.76 0.00 0.00 175.35 175.51 1x5m s PRO 80 N -3.42 1.77 -0.09 -1.68 0.04 -1.26 -4.78 135.00 125.58 1x5m s PRO 80 Ca 0.25 0.52 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 1x5m s PRO 80 Cb -0.04 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1x5m s PRO 80 CO 0.11 -1.81 0.33 0.96 0.04 0.00 0.00 177.00 176.63 1x5m s ILE 81 N -3.20 0.02 0.17 0.56 -5.25 0.58 -3.18 121.20 110.91 1x5m s ILE 81 Ca 0.62 -0.17 -0.30 0.00 -0.99 0.00 0.00 60.65 59.81 1x5m s ILE 81 Cb -0.14 -0.52 -0.08 0.00 2.95 0.00 0.00 42.46 44.66 1x5m s ILE 81 CO 0.54 -0.09 1.21 -0.55 -1.79 0.00 0.00 174.94 174.26 1x5m s SER 82 N -0.36 7.06 -0.02 4.36 0.15 -1.13 -3.91 113.70 119.86 1x5m s SER 82 Ca -0.05 2.24 -0.00 0.00 0.70 0.00 0.00 55.95 58.84 1x5m s SER 82 Cb -0.03 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1x5m s SER 82 CO 0.02 -0.40 -0.00 0.58 1.20 0.00 0.00 173.24 174.63 1x5m h VAL 83 N 3.83 0.00 -0.03 4.45 2.07 -1.87 0.11 116.25 124.81 1x5m h VAL 83 Ca -0.44 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1x5m h VAL 83 Cb 1.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1x5m h VAL 83 CO 0.76 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 178.42 1x5m h GLU 84 N -0.16 0.00 0.01 1.57 5.08 -1.93 0.60 114.58 119.75 1x5m h GLU 84 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1x5m h GLU 84 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1x5m h GLU 84 CO 0.00 0.00 -1.93 0.41 -1.00 0.00 0.00 179.01 176.49 1x5m n GLY 85 N -1.26 -0.94 3.72 -3.84 0.00 -1.25 -4.94 105.19 96.68 1x5m n GLY 85 Ca -0.01 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1x5m n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m s SER 86 N -6.05 3.99 0.13 1.61 0.01 0.21 -4.67 113.70 108.93 1x5m s SER 86 Ca -0.09 2.32 -0.10 0.00 1.31 0.00 0.00 55.95 59.39 1x5m s SER 86 Cb 0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x5m s SER 86 CO 0.81 -2.40 0.28 -0.44 0.41 0.00 0.00 173.24 171.91 1x5m s SER 87 N -2.17 0.01 -0.06 2.44 0.01 -0.72 -4.94 113.70 108.27 1x5m s SER 87 Ca 0.73 -0.68 0.05 0.00 1.31 0.00 0.00 55.95 57.36 1x5m s SER 87 Cb -0.28 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 1x5m s SER 87 CO 0.48 -0.83 -0.21 -1.59 0.41 0.00 0.00 173.24 171.50 1x5m s LYS 88 N -3.89 2.24 0.18 12.44 0.00 -1.26 -0.84 119.74 128.60 1x5m s LYS 88 Ca 0.10 -0.75 0.05 0.00 0.00 0.00 0.00 55.97 55.37 1x5m s LYS 88 Cb 0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 37.83 35.94 1x5m s LYS 88 CO -0.06 0.28 -0.09 0.15 0.00 0.00 0.00 175.35 175.62 1x5m s LYS 89 N 0.04 1.20 -0.03 1.78 1.02 0.14 -4.93 119.74 118.96 1x5m s LYS 89 Ca -0.06 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.40 1x5m s LYS 89 Cb -0.13 -0.76 0.01 0.00 -0.52 0.00 0.00 37.83 36.42 1x5m s LYS 89 CO 0.04 0.06 -0.05 0.08 -0.92 0.00 0.00 175.35 174.56 1x5m s VAL 90 N -3.25 0.48 0.16 3.17 1.01 -1.26 0.17 120.40 120.88 1x5m s VAL 90 Ca 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1x5m s VAL 90 Cb 0.02 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1x5m s VAL 90 CO 0.04 0.18 0.09 2.29 0.00 0.00 0.00 175.10 177.71 1x5m n LYS 91 N 3.61 1.35 -1.94 2.72 2.85 0.53 -4.85 118.16 122.43 1x5m n LYS 91 Ca -0.21 -1.03 -0.42 0.00 -1.05 0.00 0.00 58.31 55.60 1x5m n LYS 91 Cb 0.53 0.15 -0.03 0.00 -0.65 0.00 0.00 35.03 35.04 1x5m n LYS 91 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1x5m s THR 92 N -0.97 3.39 -1.83 0.58 2.01 -1.26 -2.09 115.64 115.47 1x5m s THR 92 Ca 0.07 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1x5m s THR 92 Cb -0.01 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1x5m s THR 92 CO 0.04 -0.42 0.00 0.47 -0.69 0.00 0.00 174.62 174.02 1x5m n ASP 93 N 11.09 -5.50 -3.81 3.53 8.00 -1.26 -4.94 116.55 123.67 1x5m n ASP 93 Ca 0.24 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.79 1x5m n ASP 93 Cb 0.48 -4.68 -0.09 0.00 -0.02 0.00 0.00 41.12 36.80 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5m s THR 94 N -2.88 0.06 -0.18 -3.53 2.01 -0.89 0.29 115.64 110.53 1x5m s THR 94 Ca 0.00 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1x5m s THR 94 Cb 0.00 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1x5m s THR 94 CO 0.00 -0.28 -0.15 0.54 -0.69 0.00 0.00 174.62 174.04 1x5m s VAL 95 N -1.17 2.49 -0.13 3.82 0.11 -0.64 0.20 120.40 125.07 1x5m s VAL 95 Ca -0.12 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 57.99 1x5m s VAL 95 Cb -0.06 -2.07 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 1x5m s VAL 95 CO 0.03 0.51 0.30 -0.76 -3.33 0.00 0.00 175.10 171.85 1x5m s LEU 96 N 1.24 4.29 -0.54 2.54 1.43 0.44 -2.44 118.68 125.64 1x5m s LEU 96 Ca 0.03 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1x5m s LEU 96 Cb -0.14 -2.39 0.14 0.00 0.03 0.00 0.00 46.19 43.83 1x5m s LEU 96 CO -0.08 0.16 0.30 -0.63 0.23 0.00 0.00 176.35 176.33 1x5m s ILE 97 N 0.10 2.89 -0.10 -0.59 -1.09 -0.52 0.23 121.20 122.11 1x5m s ILE 97 Ca 0.18 -3.21 -0.30 0.00 -2.23 0.00 0.00 60.65 55.10 1x5m s ILE 97 Cb -0.14 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 1x5m s ILE 97 CO 0.06 -0.82 1.33 -0.76 -1.23 0.00 0.00 174.94 173.52 1x5m s LEU 98 N -0.21 4.24 -0.23 2.97 1.43 -0.02 -2.04 118.68 124.82 1x5m s LEU 98 Ca 0.17 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1x5m s LEU 98 Cb -0.24 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1x5m s LEU 98 CO -0.01 -0.74 -0.14 0.00 0.23 0.00 0.00 176.35 175.68 1x5m n ARG 100 N 4.52 1.38 -3.64 0.00 5.12 -1.26 -0.84 116.66 121.94 1x5m n ARG 100 Ca -0.17 0.52 -0.37 0.00 -1.93 0.00 0.00 57.85 55.91 1x5m n ARG 100 Cb 0.45 -2.54 -0.10 0.00 -1.16 0.00 0.00 32.46 29.11 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 -3.11 4.04 0.39 5.56 1.02 -1.26 -2.82 119.74 123.56 1x5m s LYS 101 Ca 0.77 -0.28 0.19 0.00 0.02 0.00 0.00 55.97 56.67 1x5m s LYS 101 Cb -0.40 -3.57 0.78 0.00 -0.52 0.00 0.00 37.83 34.13 1x5m s LYS 101 CO 0.45 -0.00 1.79 -0.22 -0.92 0.00 0.00 175.35 176.45 1x5m h LYS 102 N 7.73 0.00 -3.41 1.68 3.64 -1.89 -3.43 116.57 120.90 1x5m h LYS 102 Ca -0.37 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.71 1x5m h LYS 102 Cb 1.17 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.65 1x5m h LYS 102 CO 0.63 0.35 -0.70 0.08 -2.27 0.00 0.00 179.45 177.54 1x5m s VAL 103 N -3.78 -0.08 1.09 2.00 1.01 -1.26 -5.05 120.40 114.32 1x5m s VAL 103 Ca -0.01 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 1x5m s VAL 103 Cb 0.12 -0.14 0.24 0.00 0.00 0.00 0.00 36.38 36.60 1x5m s VAL 103 CO 0.68 0.11 1.19 -1.61 0.00 0.00 0.00 175.10 175.47 1x5m s GLU 104 N 1.36 -0.33 -1.32 2.72 8.01 -1.26 -4.15 118.70 123.73 1x5m s GLU 104 Ca -0.06 -0.16 -0.20 0.00 0.01 0.00 0.00 54.97 54.56 1x5m s GLU 104 Cb -0.12 -1.71 0.02 0.00 -4.31 0.00 0.00 34.13 28.01 1x5m s GLU 104 CO -0.04 -3.10 0.49 0.09 0.01 0.00 0.00 175.26 172.70 1x5m n ASN 105 N -4.31 -2.51 -3.97 -0.19 3.02 -1.26 -4.94 115.26 101.11 1x5m n ASN 105 Ca 0.13 -1.23 -0.21 0.00 -0.03 0.00 0.00 54.58 53.24 1x5m n ASN 105 Cb 0.59 -2.00 -0.16 0.00 -0.61 0.00 0.00 39.78 37.60 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 -3.80 0.77 0.02 3.41 2.01 -1.26 -5.07 115.64 111.72 1x5m s THR 106 Ca 0.31 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1x5m s THR 106 Cb -0.16 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1x5m s THR 106 CO 0.96 0.26 0.23 -0.60 -0.69 0.00 0.00 174.62 174.78 1x5m s ARG 107 N 0.57 3.50 -0.37 4.92 3.52 -1.26 -4.65 118.95 125.17 1x5m s ARG 107 Ca -0.09 -0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1x5m s ARG 107 Cb -0.13 -3.06 0.09 0.00 -1.56 0.00 0.00 34.95 30.29 1x5m s ARG 107 CO 0.01 0.64 0.15 -1.58 -0.81 0.00 0.00 175.30 173.71 1x5m s TRP 108 N -1.37 3.46 0.40 5.12 0.52 -1.26 -4.93 118.94 120.88 1x5m s TRP 108 Ca 0.30 -2.13 0.35 0.00 0.02 0.00 0.00 56.10 54.63 1x5m s TRP 108 Cb -0.13 -2.84 1.74 0.00 -1.15 0.00 0.00 33.47 31.10 1x5m s TRP 108 CO 0.20 -0.90 2.14 -0.44 0.02 0.00 0.00 176.95 177.97 1x5m h ASP 109 N 8.07 0.00 -4.69 2.95 3.32 -1.97 -3.44 116.42 120.66 1x5m h ASP 109 Ca -0.17 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1x5m h ASP 109 Cb 1.06 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 1x5m h ASP 109 CO 0.65 0.04 0.20 -0.31 -1.72 0.00 0.00 179.24 178.11 1x5m s TYR 110 N -4.01 -0.67 0.24 4.55 2.02 -1.26 -4.96 117.35 113.26 1x5m s TYR 110 Ca -0.02 1.28 -0.05 0.00 -0.37 0.00 0.00 57.07 57.90 1x5m s TYR 110 Cb 0.12 0.38 0.45 0.00 -0.40 0.00 0.00 41.96 42.51 1x5m s TYR 110 CO 0.52 -0.54 1.70 1.25 -1.57 0.00 0.00 175.55 176.91 1x5m h LEU 111 N 3.44 0.11 0.00 -1.29 7.12 -1.97 -3.39 115.31 119.33 1x5m h LEU 111 Ca -0.27 0.13 -0.61 0.00 0.13 0.00 0.00 57.88 57.26 1x5m h LEU 111 Cb 1.15 0.15 -0.13 0.00 -0.53 0.00 0.00 40.66 41.30 1x5m h LEU 111 CO 0.30 0.01 -0.49 0.35 -0.13 0.00 0.00 178.44 178.49 1x5m n THR 112 N -5.10 0.00 0.09 1.05 -2.24 -1.26 -3.52 114.28 103.30 1x5m n THR 112 Ca 0.14 -2.48 -0.18 0.00 -2.27 0.00 0.00 64.05 59.26 1x5m n THR 112 Cb 0.43 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 69.30 1x5m n THR 112 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1x5m h GLN 113 N 0.00 0.31 -0.11 -0.78 4.20 -1.79 -3.30 115.11 113.63 1x5m h GLN 113 Ca -0.36 -0.52 0.02 0.00 0.06 0.00 0.00 58.65 57.85 1x5m h GLN 113 Cb 1.28 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 29.22 1x5m h GLN 113 CO 0.58 1.22 -0.31 0.28 -0.67 0.00 0.00 178.83 179.93 1x5m h VAL 114 N 0.08 0.00 -0.84 -0.54 2.07 -1.89 0.22 116.25 115.35 1x5m h VAL 114 Ca -0.20 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.53 1x5m h VAL 114 Cb 2.02 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.65 1x5m h VAL 114 CO 0.20 0.00 0.07 -0.08 0.02 0.00 0.00 177.57 177.78 1x5m h GLU 115 N -0.31 0.11 0.00 1.57 4.81 -1.97 -0.07 114.58 118.73 1x5m h GLU 115 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1x5m h GLU 115 Cb 0.37 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1x5m h GLU 115 CO -0.26 0.07 0.00 1.17 -0.73 0.00 0.00 179.01 179.26 1x5m n LYS 116 N -5.34 0.00 -0.22 1.92 4.81 -0.19 0.14 118.16 119.28 1x5m n LYS 116 Ca 0.18 0.62 -0.06 0.00 -0.87 0.00 0.00 58.31 58.18 1x5m n LYS 116 Cb 0.59 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 1x5m n LYS 116 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1x5m n GLU 117 N -2.24 -0.23 -0.05 1.64 -0.58 0.59 0.17 120.64 119.94 1x5m n GLU 117 Ca 0.00 1.20 -0.10 0.00 -0.42 0.00 0.00 57.16 57.84 1x5m n GLU 117 Cb 0.00 -1.78 -0.04 0.00 -0.57 0.00 0.00 31.44 29.05 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 -0.38 -0.43 -3.57 0.00 1.79 0.49 -2.97 116.57 111.50 1x5m h LYS 119 Ca 0.12 0.03 -0.80 0.00 -2.18 0.00 0.00 60.65 57.82 1x5m h LYS 119 Cb 0.57 0.10 -0.28 0.00 -1.58 0.00 0.00 32.23 31.04 1x5m h LYS 119 CO -0.44 -0.28 0.52 0.39 -1.08 0.00 0.00 179.45 178.56 1x5m n GLU 120 N -5.40 3.60 0.00 3.15 1.02 0.44 -4.90 120.64 118.56 1x5m n GLU 120 Ca -0.04 -4.44 0.00 0.00 -0.02 0.00 0.00 57.16 52.67 1x5m n GLU 120 Cb 0.35 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1x5m n GLU 120 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1x5m n LYS 121 N 2.72 0.00 -3.76 3.49 4.81 -0.82 -4.63 118.16 119.97 1x5m n LYS 121 Ca 0.25 0.61 -0.14 0.00 -0.87 0.00 0.00 58.31 58.16 1x5m n LYS 121 Cb 0.39 -1.44 -0.15 0.00 0.02 0.00 0.00 35.03 33.85 1x5m n LYS 121 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1x5m s SER 122 N -2.36 -0.01 -0.30 3.14 0.01 -1.26 -4.98 113.70 107.94 1x5m s SER 122 Ca 0.00 0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 1x5m s SER 122 Cb 0.00 0.04 0.18 0.00 0.21 0.00 0.00 66.02 66.45 1x5m s SER 122 CO 0.00 -0.14 1.11 -0.83 0.41 0.00 0.00 173.24 173.79 1x5m s GLY 123 N 1.11 -1.14 0.07 3.44 0.00 -1.26 -5.15 107.32 104.39 1x5m s GLY 123 Ca -0.09 1.94 -0.30 0.00 0.00 0.00 0.00 44.72 46.27 1x5m s GLY 123 CO -0.04 4.25 1.16 2.56 0.00 0.00 0.00 173.10 181.03 1x5m s PRO 124 N 2.61 4.46 -0.22 2.90 0.04 -1.26 -4.39 135.00 139.13 1x5m s PRO 124 Ca 0.25 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 1x5m s PRO 124 Cb 0.01 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.23 1x5m s PRO 124 CO -0.20 -0.20 0.15 0.45 0.04 0.00 0.00 177.00 177.24 1x5m n SER 125 N 3.77 -3.35 -4.54 6.66 2.88 -1.26 -4.91 113.62 112.87 1x5m n SER 125 Ca 0.08 1.36 -0.42 0.00 -1.33 0.00 0.00 58.87 58.56 1x5m n SER 125 Cb 0.47 -5.14 -0.07 0.00 -0.75 0.00 0.00 64.21 58.72 1x5m n SER 125 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5m s SER 126 N -1.00 6.36 0.00 -3.46 0.15 -1.26 -5.29 113.70 109.20 1x5m s SER 126 Ca -0.18 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1x5m s SER 126 Cb 0.01 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1x5m s SER 126 CO 0.76 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 175.13