#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 -2.72 -2.69 1.61 2.88 -1.26 -5.08 113.62 106.37 1x5m n SER 2 Ca 0.00 0.70 -0.02 0.00 -1.33 0.00 0.00 58.87 58.21 1x5m n SER 2 Cb 0.00 2.62 0.03 0.00 -0.75 0.00 0.00 64.21 66.11 1x5m n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5m s SER 3 N -2.87 -0.26 0.00 -3.46 0.01 -1.26 -5.16 113.70 100.70 1x5m s SER 3 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1x5m s SER 3 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1x5m s SER 3 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1x5m n GLY 4 N 2.82 3.71 3.59 3.44 0.00 -1.26 -5.16 105.19 112.33 1x5m n GLY 4 Ca 0.10 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 1x5m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5m s SER 5 N 0.00 -0.37 0.37 1.61 0.15 -1.26 -4.94 113.70 109.26 1x5m s SER 5 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1x5m s SER 5 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1x5m s SER 5 CO 0.00 -0.30 0.00 -0.24 1.20 0.00 0.00 173.24 173.90 1x5m n SER 6 N 0.97 -2.34 0.00 5.45 2.88 -1.26 -5.18 113.62 114.14 1x5m n SER 6 Ca -0.10 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1x5m n SER 6 Cb 0.58 2.29 0.00 0.00 -0.75 0.00 0.00 64.21 66.32 1x5m n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5m n GLY 7 N -0.20 2.56 3.23 0.46 0.00 -1.26 -5.07 105.19 104.91 1x5m n GLY 7 Ca 0.00 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1x5m n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5m s VAL 8 N -1.88 2.28 0.06 1.61 1.01 -1.26 -5.12 120.40 117.10 1x5m s VAL 8 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1x5m s VAL 8 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1x5m s VAL 8 CO 0.00 0.54 -0.12 0.54 0.00 0.00 0.00 175.10 176.06 1x5m s VAL 9 N 0.60 0.95 -0.42 2.92 0.11 -1.26 -5.12 120.40 118.18 1x5m s VAL 9 Ca -0.11 -1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 57.63 1x5m s VAL 9 Cb -0.16 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1x5m s VAL 9 CO 0.03 -0.21 0.35 0.00 -3.33 0.00 0.00 175.10 171.94 1x5m s ALA 10 N -1.18 3.48 -0.77 1.54 0.00 -1.26 -5.01 121.76 118.56 1x5m s ALA 10 Ca -0.03 -1.72 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 1x5m s ALA 10 Cb -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1x5m s ALA 10 CO 0.02 -1.53 1.60 -1.25 0.00 0.00 0.00 175.76 174.60 1x5m s PRO 11 N 1.79 2.97 0.34 0.00 0.04 -1.26 -4.97 135.00 133.91 1x5m s PRO 11 Ca 0.07 -0.10 -0.29 0.00 0.04 0.00 0.00 61.00 60.72 1x5m s PRO 11 Cb -0.19 -4.57 -0.11 0.00 0.04 0.00 0.00 34.50 29.67 1x5m s PRO 11 CO 0.10 -2.54 1.38 -1.50 0.04 0.00 0.00 177.00 174.49 1x5m s ILE 12 N 7.38 2.48 -0.55 0.56 2.07 -1.26 -4.98 121.20 126.91 1x5m s ILE 12 Ca 0.53 0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 60.22 1x5m s ILE 12 Cb -0.08 -3.30 0.14 0.00 0.13 0.00 0.00 42.46 39.35 1x5m s ILE 12 CO 0.11 0.11 0.34 0.42 -1.91 0.00 0.00 174.94 174.01 1x5m s THR 13 N -1.00 3.42 -0.31 4.00 -4.23 -1.26 -4.87 115.64 111.39 1x5m s THR 13 Ca 0.51 -2.74 -0.27 0.00 -1.18 0.00 0.00 61.69 58.01 1x5m s THR 13 Cb -0.42 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.17 1x5m s THR 13 CO 0.55 -0.81 0.46 1.07 -0.54 0.00 0.00 174.62 175.35 1x5m n THR 14 N 3.76 -3.16 0.00 3.99 5.66 -1.26 -4.11 114.28 119.16 1x5m n THR 14 Ca 0.05 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1x5m n THR 14 Cb 0.38 -3.20 0.00 0.00 -1.55 0.00 0.00 70.33 65.96 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 0.23 0.66 3.43 1.09 0.00 -1.26 -4.53 105.19 104.82 1x5m n GLY 15 Ca -0.06 0.85 -0.12 0.00 0.00 0.00 0.00 46.02 46.69 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 0.87 0.34 1.61 -0.85 -1.26 -5.06 117.35 113.00 1x5m s TYR 16 Ca 0.00 -1.13 -0.23 0.00 -0.52 0.00 0.00 57.07 55.19 1x5m s TYR 16 Cb 0.00 -0.15 -0.10 0.00 0.38 0.00 0.00 41.96 42.09 1x5m s TYR 16 CO 0.00 -0.93 0.90 0.99 -1.52 0.00 0.00 175.55 175.00 1x5m s THR 17 N -3.74 4.33 0.57 -3.49 2.01 -1.26 -4.59 115.64 109.46 1x5m s THR 17 Ca 0.30 1.62 -0.15 0.00 0.31 0.00 0.00 61.69 63.77 1x5m s THR 17 Cb 0.02 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1x5m s THR 17 CO 0.14 0.02 1.02 -0.69 -0.69 0.00 0.00 174.62 174.43 1x5m s VAL 18 N -1.76 4.19 -0.23 3.82 1.01 0.51 -4.79 120.40 123.15 1x5m s VAL 18 Ca 0.52 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 1x5m s VAL 18 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1x5m s VAL 18 CO 0.20 -0.65 0.07 -1.59 0.00 0.00 0.00 175.10 173.13 1x5m s LYS 19 N -4.20 3.75 -1.20 2.72 -2.85 -1.26 0.12 119.74 116.82 1x5m s LYS 19 Ca 0.61 -0.44 -0.18 0.00 -1.00 0.00 0.00 55.97 54.95 1x5m s LYS 19 Cb -0.13 -3.28 0.09 0.00 -2.06 0.00 0.00 37.83 32.45 1x5m s LYS 19 CO 0.37 -0.04 1.58 0.42 0.10 0.00 0.00 175.35 177.78 1x5m s ILE 20 N 1.22 4.30 0.13 3.79 1.01 -0.62 -4.73 121.20 126.30 1x5m s ILE 20 Ca 0.05 -1.82 -0.07 0.00 0.00 0.00 0.00 60.65 58.81 1x5m s ILE 20 Cb -0.14 -5.09 -0.17 0.00 0.01 0.00 0.00 42.46 37.07 1x5m s ILE 20 CO 0.03 -1.90 1.32 -1.28 0.00 0.00 0.00 174.94 173.11 1x5m h SER 21 N 8.00 0.67 -3.71 3.58 0.87 -1.95 -3.42 113.55 117.59 1x5m h SER 21 Ca 0.36 -0.49 -0.65 0.00 -1.23 0.00 0.00 61.79 59.78 1x5m h SER 21 Cb 0.91 -0.20 -0.21 0.00 -0.44 0.00 0.00 62.40 62.46 1x5m h SER 21 CO 1.39 1.28 -0.59 0.21 -0.53 0.00 0.00 176.83 178.58 1x5m s ASN 22 N -7.10 5.39 -0.13 6.23 2.47 -1.26 -5.07 114.94 115.47 1x5m s ASN 22 Ca -0.07 -0.15 -0.11 0.00 0.42 0.00 0.00 52.86 52.95 1x5m s ASN 22 Cb 0.09 -1.98 0.04 0.00 -1.45 0.00 0.00 41.25 37.95 1x5m s ASN 22 CO 0.88 -0.03 0.34 -0.72 -3.72 0.00 0.00 177.10 173.84 1x5m s TYR 23 N 1.63 -0.40 -0.14 0.43 -0.85 -1.26 -4.76 117.35 111.99 1x5m s TYR 23 Ca 0.06 0.95 -0.18 0.00 -0.52 0.00 0.00 57.07 57.39 1x5m s TYR 23 Cb -0.15 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1x5m s TYR 23 CO 0.06 -0.20 0.47 0.20 -1.52 0.00 0.00 175.55 174.56 1x5m s GLY 24 N 0.41 2.30 0.07 5.49 0.00 -0.67 -4.99 107.32 109.92 1x5m s GLY 24 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.49 1x5m s GLY 24 CO -0.02 0.83 -0.16 0.66 0.00 0.00 0.00 173.10 174.41 1x5m s TRP 25 N 0.88 1.34 -0.28 1.90 1.48 -1.26 0.22 118.94 123.22 1x5m s TRP 25 Ca 0.25 -0.42 -0.18 0.00 -1.06 0.00 0.00 56.10 54.68 1x5m s TRP 25 Cb -0.15 -0.76 0.09 0.00 -1.16 0.00 0.00 33.47 31.49 1x5m s TRP 25 CO 0.10 0.08 0.74 -0.51 -4.06 0.00 0.00 176.95 173.30 1x5m s ASP 26 N -1.61 -0.83 0.17 -2.66 1.01 -0.63 -4.90 116.67 107.22 1x5m s ASP 26 Ca 0.01 1.40 -0.02 0.00 0.71 0.00 0.00 52.55 54.64 1x5m s ASP 26 Cb -0.09 1.36 -0.04 0.00 1.01 0.00 0.00 42.92 45.16 1x5m s ASP 26 CO 0.02 -0.23 0.12 0.00 0.21 0.00 0.00 175.17 175.30 1x5m s GLN 27 N 1.27 1.10 0.23 8.23 1.03 -1.26 -2.96 119.66 127.29 1x5m s GLN 27 Ca -0.07 -1.51 0.01 0.00 0.04 0.00 0.00 55.36 53.83 1x5m s GLN 27 Cb -0.05 0.27 -0.04 0.00 0.03 0.00 0.00 33.01 33.23 1x5m s GLN 27 CO -0.14 -0.35 0.16 -1.12 -2.54 0.00 0.00 175.29 171.30 1x5m s SER 28 N -3.10 0.50 -1.00 12.60 0.01 -0.91 -4.92 113.70 116.88 1x5m s SER 28 Ca 0.31 -1.47 -0.24 0.00 1.31 0.00 0.00 55.95 55.85 1x5m s SER 28 Cb 0.07 0.42 -0.16 0.00 0.21 0.00 0.00 66.02 66.56 1x5m s SER 28 CO 0.07 -0.89 1.95 0.47 0.41 0.00 0.00 173.24 175.24 1x5m n ASP 29 N -0.56 2.43 0.00 2.44 9.92 -1.26 -2.42 116.55 127.10 1x5m n ASP 29 Ca 0.03 -2.63 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 1x5m n ASP 29 Cb 0.65 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1x5m n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1x5m n LYS 30 N 8.01 0.00 -4.01 -1.24 5.02 -1.26 -4.33 118.16 120.35 1x5m n LYS 30 Ca 0.45 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.64 1x5m n LYS 30 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.45 -0.04 2.13 0.08 -1.01 -4.18 117.98 115.41 1x5m s PHE 31 Ca 0.00 -0.81 0.07 0.00 0.12 0.00 0.00 56.93 56.31 1x5m s PHE 31 Cb 0.00 0.15 -0.01 0.00 -0.57 0.00 0.00 43.02 42.59 1x5m s PHE 31 CO 0.00 -1.01 -0.25 0.08 -0.10 0.00 0.00 175.22 173.94 1x5m s VAL 32 N -3.89 2.02 -0.02 -0.44 1.01 0.02 -2.13 120.40 116.96 1x5m s VAL 32 Ca 0.24 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1x5m s VAL 32 Cb -0.00 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1x5m s VAL 32 CO 0.10 0.56 0.22 -0.75 0.00 0.00 0.00 175.10 175.24 1x5m s LYS 33 N -0.32 0.52 0.10 2.72 2.20 -1.16 0.18 119.74 123.99 1x5m s LYS 33 Ca 0.01 -0.20 0.09 0.00 -0.36 0.00 0.00 55.97 55.51 1x5m s LYS 33 Cb -0.12 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1x5m s LYS 33 CO 0.02 -0.13 -0.23 0.42 -0.36 0.00 0.00 175.35 175.08 1x5m s ILE 34 N -1.11 1.86 -0.26 5.43 1.09 -0.82 -1.60 121.20 125.80 1x5m s ILE 34 Ca -0.12 -1.57 -0.01 0.00 -1.10 0.00 0.00 60.65 57.85 1x5m s ILE 34 Cb -0.06 -1.67 0.08 0.00 -1.06 0.00 0.00 42.46 39.75 1x5m s ILE 34 CO 0.02 0.01 0.04 -0.31 -0.10 0.00 0.00 174.94 174.61 1x5m s TYR 35 N -1.10 1.68 0.01 3.97 1.51 0.60 -1.76 117.35 122.25 1x5m s TYR 35 Ca 0.09 -1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 54.66 1x5m s TYR 35 Cb -0.10 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1x5m s TYR 35 CO 0.04 -0.77 0.12 0.42 -1.11 0.00 0.00 175.55 174.26 1x5m s ILE 36 N 1.63 4.99 -0.59 2.71 1.09 -0.91 -1.67 121.20 128.45 1x5m s ILE 36 Ca 0.03 -0.36 -0.20 0.00 -1.10 0.00 0.00 60.65 59.02 1x5m s ILE 36 Cb -0.18 -3.32 0.08 0.00 -1.06 0.00 0.00 42.46 37.98 1x5m s ILE 36 CO -0.15 0.31 0.77 -0.89 -0.10 0.00 0.00 174.94 174.88 1x5m s THR 37 N -1.28 4.67 -0.24 2.92 2.01 -1.26 -1.54 115.64 120.93 1x5m s THR 37 Ca 0.26 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1x5m s THR 37 Cb -0.12 -4.51 0.07 0.00 0.01 0.00 0.00 72.50 67.95 1x5m s THR 37 CO 0.17 -1.16 0.03 -0.22 -0.69 0.00 0.00 174.62 172.75 1x5m s LEU 38 N 3.11 1.83 -0.18 4.42 1.98 -0.24 -4.95 118.68 124.66 1x5m s LEU 38 Ca 0.16 -1.14 -0.29 0.00 -2.89 0.00 0.00 54.13 49.97 1x5m s LEU 38 Cb -0.21 -0.82 -0.00 0.00 0.66 0.00 0.00 46.19 45.82 1x5m s LEU 38 CO 0.09 -0.32 1.11 -0.89 -1.89 0.00 0.00 176.35 174.45 1x5m s THR 39 N 1.67 4.54 0.00 3.68 2.01 -1.25 -2.45 115.64 123.85 1x5m s THR 39 Ca 0.01 1.86 0.00 0.00 0.31 0.00 0.00 61.69 63.86 1x5m s THR 39 Cb -0.18 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.14 1x5m s THR 39 CO -0.12 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 1x5m n GLY 40 N 3.38 2.75 0.34 4.40 0.00 -1.26 -3.69 105.19 111.10 1x5m n GLY 40 Ca 0.12 0.00 0.19 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 0.11 -0.07 1.61 3.04 -1.88 1.59 116.25 120.65 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 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 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 -3.17 0.07 -0.01 3.17 1.44 -1.26 -3.67 115.22 111.79 1x5m n HIS 42 Ca -0.02 -0.04 0.02 0.00 -2.01 0.00 0.00 57.72 55.68 1x5m n HIS 42 Cb 0.25 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.30 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 0.28 0.71 -2.50 -1.40 6.02 0.52 -4.99 117.38 116.02 1x5m n GLN 43 Ca 0.18 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1x5m n GLN 43 Cb 0.36 -1.16 -0.04 0.00 1.02 0.00 0.00 30.24 30.42 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 -2.42 4.56 0.88 5.09 -7.23 -0.06 -5.06 120.40 116.17 1x5m s VAL 44 Ca -0.03 1.14 -0.12 0.00 -1.81 0.00 0.00 61.98 61.17 1x5m s VAL 44 Cb 0.04 -3.71 0.12 0.00 0.56 0.00 0.00 36.38 33.38 1x5m s VAL 44 CO 0.28 -0.64 1.13 -2.16 -0.31 0.00 0.00 175.10 173.40 1x5m s PRO 45 N -3.97 1.42 0.00 4.82 0.04 -1.26 -4.93 135.00 131.13 1x5m s PRO 45 Ca 0.58 0.39 0.23 0.00 0.04 0.00 0.00 61.00 62.24 1x5m s PRO 45 Cb -0.10 -1.86 1.20 0.00 0.04 0.00 0.00 34.50 33.78 1x5m s PRO 45 CO 0.30 -2.02 1.75 -2.37 0.04 0.00 0.00 177.00 174.70 1x5m n THR 46 N -3.66 0.23 0.07 1.26 5.66 -1.26 -2.37 114.28 114.21 1x5m n THR 46 Ca 0.07 0.06 0.01 0.00 -3.05 0.00 0.00 64.05 61.14 1x5m n THR 46 Cb 0.58 -0.68 -0.04 0.00 -1.55 0.00 0.00 70.33 68.64 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 -3.25 114.58 114.52 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1x5m h GLU 47 CO 0.00 0.35 -0.37 0.09 0.07 0.00 0.00 179.01 179.15 1x5m n ASN 48 N -2.99 0.74 -4.31 3.06 3.02 -1.00 -4.63 115.26 109.15 1x5m n ASN 48 Ca -0.05 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.41 1x5m n ASN 48 Cb 0.79 -0.23 -0.11 0.00 -0.61 0.00 0.00 39.78 39.62 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 -3.14 4.19 -0.25 2.41 1.01 -1.22 -0.36 120.40 123.05 1x5m s VAL 49 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1x5m s VAL 49 Cb 0.13 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1x5m s VAL 49 CO 0.67 -0.30 -0.09 -1.10 0.00 0.00 0.00 175.10 174.29 1x5m s GLN 50 N 1.46 2.62 -0.02 2.72 -0.21 -0.37 -4.88 119.66 120.98 1x5m s GLN 50 Ca 0.01 -1.11 0.03 0.00 0.02 0.00 0.00 55.36 54.31 1x5m s GLN 50 Cb -0.20 -2.93 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 1x5m s GLN 50 CO 0.04 -0.46 -0.10 0.54 -2.12 0.00 0.00 175.29 173.19 1x5m s VAL 51 N 1.24 0.85 -0.04 1.09 0.11 -1.26 0.20 120.40 122.59 1x5m s VAL 51 Ca -0.03 -0.41 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1x5m s VAL 51 Cb -0.18 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1x5m s VAL 51 CO -0.05 0.26 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.51 1x5m s HIS 52 N 0.08 1.85 0.00 1.54 5.04 0.79 -4.96 115.29 119.63 1x5m s HIS 52 Ca -0.01 -0.52 -0.01 0.00 -1.54 0.00 0.00 55.06 52.97 1x5m s HIS 52 Cb -0.08 -1.23 -0.04 0.00 0.04 0.00 0.00 32.58 31.27 1x5m s HIS 52 CO 0.00 -0.17 0.14 -0.06 -2.34 0.00 0.00 174.74 172.32 1x5m s PHE 53 N -0.03 3.42 0.00 3.88 0.08 -1.26 -0.48 117.98 123.59 1x5m s PHE 53 Ca -0.03 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.30 1x5m s PHE 53 Cb -0.12 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1x5m s PHE 53 CO 0.02 0.60 0.00 0.25 -0.10 0.00 0.00 175.22 175.99 1x5m n THR 54 N 0.97 0.00 0.12 0.64 -2.24 -0.65 -4.84 114.28 108.28 1x5m n THR 54 Ca -0.11 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1x5m n THR 54 Cb 0.52 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.38 -1.01 -0.78 4.11 -1.99 -3.36 114.58 111.92 1x5m h GLU 55 Ca 0.00 -0.64 -0.36 0.00 0.07 0.00 0.00 59.36 58.43 1x5m h GLU 55 Cb 0.00 0.24 -0.35 0.00 0.50 0.00 0.00 28.75 29.14 1x5m h GLU 55 CO 0.00 1.31 -1.04 0.54 0.07 0.00 0.00 179.01 179.89 1x5m n ARG 56 N -3.61 1.11 0.00 1.06 5.12 -1.26 0.34 116.66 119.41 1x5m n ARG 56 Ca -0.12 -3.00 0.00 0.00 -1.93 0.00 0.00 57.85 52.80 1x5m n ARG 56 Cb 1.05 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 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 -0.04 0.00 -3.56 0.55 3.41 -1.26 -2.31 113.62 110.40 1x5m n SER 57 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1x5m n SER 57 Cb 0.78 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.46 0.00 7.33 -0.12 -0.54 -1.64 117.98 120.56 1x5m s PHE 58 Ca 0.00 0.87 0.01 0.00 -0.05 0.00 0.00 56.93 57.76 1x5m s PHE 58 Cb 0.00 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1x5m s PHE 58 CO 0.00 -0.23 0.05 0.16 -0.05 0.00 0.00 175.22 175.15 1x5m s ASP 59 N 1.56 5.44 -0.11 1.98 -4.77 0.37 -0.70 116.67 120.44 1x5m s ASP 59 Ca -0.07 0.07 -0.04 0.00 -3.30 0.00 0.00 52.55 49.22 1x5m s ASP 59 Cb -0.04 -1.50 0.05 0.00 -1.09 0.00 0.00 42.92 40.35 1x5m s ASP 59 CO -0.14 0.27 0.14 -0.22 0.70 0.00 0.00 175.17 175.92 1x5m s LEU 60 N -1.70 0.02 0.07 2.11 0.20 0.59 -0.15 118.68 119.81 1x5m s LEU 60 Ca 0.22 0.06 0.05 0.00 0.69 0.00 0.00 54.13 55.14 1x5m s LEU 60 Cb -0.12 0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.75 1x5m s LEU 60 CO 0.13 -0.28 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.65 1x5m s LEU 61 N 2.26 3.28 -0.19 -0.68 1.98 0.53 0.80 118.68 126.65 1x5m s LEU 61 Ca 0.04 -0.22 -0.04 0.00 -2.89 0.00 0.00 54.13 51.01 1x5m s LEU 61 Cb -0.13 -1.99 0.08 0.00 0.66 0.00 0.00 46.19 44.80 1x5m s LEU 61 CO -0.07 0.21 0.15 -0.69 -1.89 0.00 0.00 176.35 174.06 1x5m s VAL 62 N -1.20 -0.19 0.25 1.68 1.01 0.20 -1.23 120.40 120.92 1x5m s VAL 62 Ca 0.22 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1x5m s VAL 62 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1x5m s VAL 62 CO 0.14 -0.27 0.21 -0.54 0.00 0.00 0.00 175.10 174.63 1x5m s LYS 63 N 2.22 2.96 -0.06 2.72 1.02 0.52 0.11 119.74 129.23 1x5m s LYS 63 Ca 0.04 -1.03 -0.01 0.00 0.02 0.00 0.00 55.97 54.99 1x5m s LYS 63 Cb -0.16 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1x5m s LYS 63 CO -0.12 0.40 0.02 -1.71 -0.92 0.00 0.00 175.35 173.03 1x5m n ASN 64 N -1.17 -6.53 0.00 2.83 2.85 -1.26 -4.77 115.26 107.21 1x5m n ASN 64 Ca -0.08 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.20 1x5m n ASN 64 Cb 0.58 -2.37 0.00 0.00 1.24 0.00 0.00 39.78 39.23 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 1.69 0.00 -3.66 1.20 7.94 0.57 -4.78 117.00 119.96 1x5m n LEU 65 Ca -0.04 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.43 1x5m n LEU 65 Cb 0.28 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.17 1x5m n LEU 65 CO 0.09 0.00 2.03 -3.20 -1.11 0.00 0.00 177.39 175.20 1x5m n ASN 66 N 0.00 2.40 -1.22 1.96 2.85 -1.24 -3.74 115.26 116.27 1x5m n ASN 66 Ca 0.00 -2.66 -0.15 0.00 -0.11 0.00 0.00 54.58 51.65 1x5m n ASN 66 Cb 0.00 -1.09 -0.06 0.00 1.24 0.00 0.00 39.78 39.87 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 4.63 1.45 3.87 8.20 0.00 -1.26 -4.91 105.19 117.17 1x5m n GLY 67 Ca 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.40 1.16 0.20 1.61 -2.85 -1.25 -5.12 119.74 110.10 1x5m s LYS 68 Ca 0.00 -0.74 0.11 0.00 -1.00 0.00 0.00 55.97 54.34 1x5m s LYS 68 Cb 0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1x5m s LYS 68 CO 0.00 -0.54 -0.20 -1.54 0.10 0.00 0.00 175.35 173.16 1x5m s SER 69 N -3.37 3.63 0.03 0.03 1.04 -1.26 0.21 113.70 114.01 1x5m s SER 69 Ca 0.21 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.86 1x5m s SER 69 Cb -0.02 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 1x5m s SER 69 CO 0.04 0.11 -0.12 -0.31 0.98 0.00 0.00 173.24 173.94 1x5m s TYR 70 N -1.75 1.02 0.01 5.02 1.51 0.30 0.19 117.35 123.65 1x5m s TYR 70 Ca 0.22 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1x5m s TYR 70 Cb -0.08 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1x5m s TYR 70 CO 0.11 0.01 -0.13 -1.54 -1.11 0.00 0.00 175.55 172.89 1x5m s SER 71 N -1.10 1.56 -0.16 2.29 1.04 0.33 0.62 113.70 118.29 1x5m s SER 71 Ca -0.01 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1x5m s SER 71 Cb -0.08 -0.14 0.07 0.00 0.10 0.00 0.00 66.02 65.97 1x5m s SER 71 CO 0.01 0.11 0.33 -0.32 0.98 0.00 0.00 173.24 174.35 1x5m s MET 72 N -0.63 0.24 0.02 4.02 0.00 0.24 -1.58 119.30 121.61 1x5m s MET 72 Ca 0.04 0.84 0.01 0.00 0.00 0.00 0.00 55.69 56.57 1x5m s MET 72 Cb -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 34.83 34.85 1x5m s MET 72 CO 0.00 -0.25 -0.05 0.42 0.00 0.00 0.00 175.02 175.15 1x5m s ILE 73 N 2.25 0.34 -0.11 10.11 1.01 -1.26 0.22 121.20 133.76 1x5m s ILE 73 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1x5m s ILE 73 Cb -0.11 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1x5m s ILE 73 CO -0.11 -0.19 -0.10 0.68 0.00 0.00 0.00 174.94 175.22 1x5m s VAL 74 N -0.80 1.19 -0.14 2.92 -7.23 0.13 -4.98 120.40 111.48 1x5m s VAL 74 Ca -0.06 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1x5m s VAL 74 Cb -0.06 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 1x5m s VAL 74 CO -0.00 0.39 -0.17 0.20 -0.31 0.00 0.00 175.10 175.21 1x5m s ASN 75 N 1.40 3.60 0.00 4.85 0.01 -1.26 -1.47 114.94 122.08 1x5m s ASN 75 Ca 0.00 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 1x5m s ASN 75 Cb -0.13 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 39.99 1x5m s ASN 75 CO -0.06 0.11 0.00 0.59 -1.51 0.00 0.00 177.10 176.24 1x5m n ASN 76 N 3.86 -1.69 -4.69 -1.22 3.02 -1.02 -4.82 115.26 108.69 1x5m n ASN 76 Ca -0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 1x5m n ASN 76 Cb 0.52 -0.85 -0.09 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 3.80 0.28 3.41 1.43 -0.98 -2.72 118.68 123.90 1x5m s LEU 77 Ca 0.00 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1x5m s LEU 77 Cb 0.00 -1.92 0.54 0.00 0.03 0.00 0.00 46.19 44.84 1x5m s LEU 77 CO 0.00 0.29 1.48 -0.11 0.23 0.00 0.00 176.35 178.24 1x5m n LEU 78 N 2.74 -0.26 -4.32 1.79 7.94 -1.10 -4.46 117.00 119.33 1x5m n LEU 78 Ca -0.18 1.62 -0.17 0.00 -1.11 0.00 0.00 56.01 56.17 1x5m n LEU 78 Cb 0.53 -0.53 -0.10 0.00 0.53 0.00 0.00 43.42 43.86 1x5m n LEU 78 CO 0.32 -1.58 -0.43 -0.54 -1.11 0.00 0.00 177.39 174.04 1x5m s LYS 79 N -6.10 1.25 0.86 1.96 -0.14 -1.26 -4.93 119.74 111.38 1x5m s LYS 79 Ca -0.13 -1.55 -0.12 0.00 -1.36 0.00 0.00 55.97 52.81 1x5m s LYS 79 Cb 0.26 -0.97 0.10 0.00 -1.68 0.00 0.00 37.83 35.55 1x5m s LYS 79 CO 0.74 0.15 1.12 -1.25 -0.76 0.00 0.00 175.35 175.35 1x5m s PRO 80 N -3.67 1.60 0.04 -1.68 0.04 -1.26 -4.80 135.00 125.27 1x5m s PRO 80 Ca 0.21 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 1x5m s PRO 80 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x5m s PRO 80 CO 0.05 -1.92 0.07 0.96 0.04 0.00 0.00 177.00 176.20 1x5m s ILE 81 N -3.22 0.14 -0.56 0.56 -5.25 0.15 -2.46 121.20 110.57 1x5m s ILE 81 Ca 0.62 -1.15 -0.22 0.00 -0.99 0.00 0.00 60.65 58.91 1x5m s ILE 81 Cb -0.15 -0.90 0.05 0.00 2.95 0.00 0.00 42.46 44.42 1x5m s ILE 81 CO 0.54 -0.64 0.85 -0.44 -1.79 0.00 0.00 174.94 173.46 1x5m s SER 82 N -2.15 6.27 0.05 4.36 0.01 -1.02 -4.32 113.70 116.90 1x5m s SER 82 Ca -0.05 -0.66 -0.14 0.00 1.31 0.00 0.00 55.95 56.41 1x5m s SER 82 Cb -0.01 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1x5m s SER 82 CO -0.05 -1.17 1.23 0.58 0.41 0.00 0.00 173.24 174.25 1x5m h VAL 83 N 5.96 0.00 -0.94 3.43 2.07 -1.89 2.13 116.25 127.02 1x5m h VAL 83 Ca -0.27 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1x5m h VAL 83 Cb 1.08 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.68 1x5m h VAL 83 CO 1.07 0.00 -0.29 -0.62 0.02 0.00 0.00 177.57 177.75 1x5m n GLU 84 N -3.75 -0.14 0.06 1.57 1.02 -1.26 0.21 120.64 118.35 1x5m n GLU 84 Ca -0.03 1.46 -0.04 0.00 -0.02 0.00 0.00 57.16 58.53 1x5m n GLU 84 Cb 0.17 -2.17 0.18 0.00 -0.02 0.00 0.00 31.44 29.60 1x5m n GLU 84 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x5m h GLY 85 N 0.00 0.37 -2.93 0.62 0.00 -1.72 -3.45 103.07 95.96 1x5m h GLY 85 Ca 0.40 -0.37 -0.57 0.00 0.00 0.00 0.00 47.33 46.79 1x5m h GLY 85 CO -0.95 0.33 -0.37 1.44 0.00 0.00 0.00 176.54 176.99 1x5m n SER 86 N -4.01 -1.02 -3.56 0.19 7.64 0.71 -4.63 113.62 108.94 1x5m n SER 86 Ca -0.02 0.69 -0.12 0.00 1.01 0.00 0.00 58.87 60.44 1x5m n SER 86 Cb 0.50 -1.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.46 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 -1.27 -0.38 0.02 6.43 0.01 0.60 -4.92 113.70 114.19 1x5m s SER 87 Ca 0.68 -0.10 0.09 0.00 1.31 0.00 0.00 55.95 57.92 1x5m s SER 87 Cb -0.41 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 1x5m s SER 87 CO 0.55 -0.85 -0.26 -0.75 0.41 0.00 0.00 173.24 172.35 1x5m s LYS 88 N -3.43 1.89 0.13 12.44 2.36 -1.26 0.32 119.74 132.19 1x5m s LYS 88 Ca 0.00 -1.02 0.01 0.00 -2.55 0.00 0.00 55.97 52.41 1x5m s LYS 88 Cb 0.00 -1.96 -0.04 0.00 -1.05 0.00 0.00 37.83 34.78 1x5m s LYS 88 CO -0.10 0.52 -0.00 0.15 1.55 0.00 0.00 175.35 177.47 1x5m s LYS 89 N -0.97 0.95 -0.01 4.03 1.02 0.47 -4.89 119.74 120.33 1x5m s LYS 89 Ca 0.11 -1.43 0.02 0.00 0.02 0.00 0.00 55.97 54.68 1x5m s LYS 89 Cb -0.10 -0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1x5m s LYS 89 CO 0.01 -0.14 -0.06 0.08 -0.92 0.00 0.00 175.35 174.32 1x5m s VAL 90 N -3.78 0.46 0.14 3.17 1.01 -1.26 0.24 120.40 120.38 1x5m s VAL 90 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1x5m s VAL 90 Cb 0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 1x5m s VAL 90 CO 0.00 0.14 0.00 2.29 0.00 0.00 0.00 175.10 177.53 1x5m n LYS 91 N 3.04 1.61 -1.88 2.72 2.85 0.57 -4.85 118.16 122.23 1x5m n LYS 91 Ca -0.14 -1.01 -0.41 0.00 -1.05 0.00 0.00 58.31 55.70 1x5m n LYS 91 Cb 0.57 0.29 -0.03 0.00 -0.65 0.00 0.00 35.03 35.21 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 -1.53 3.30 -1.46 0.58 2.01 -1.26 -2.22 115.64 115.06 1x5m s THR 92 Ca 0.00 0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 1x5m s THR 92 Cb 0.00 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1x5m s THR 92 CO 0.00 -0.38 0.69 0.47 -0.69 0.00 0.00 174.62 174.71 1x5m n ASP 93 N 11.79 -5.37 -3.66 3.53 8.00 -1.26 -4.95 116.55 124.63 1x5m n ASP 93 Ca 0.26 -0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 1x5m n ASP 93 Cb 0.49 -4.34 -0.08 0.00 -0.02 0.00 0.00 41.12 37.17 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 -3.14 0.00 -0.20 -3.53 2.01 -0.94 -1.08 115.64 108.76 1x5m s THR 94 Ca 0.41 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 1x5m s THR 94 Cb -0.19 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1x5m s THR 94 CO 0.50 -0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.97 1x5m s VAL 95 N 0.21 4.00 -0.06 3.82 0.11 -0.59 0.21 120.40 128.11 1x5m s VAL 95 Ca -0.01 -0.30 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 1x5m s VAL 95 Cb -0.04 -2.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.96 1x5m s VAL 95 CO 0.01 0.43 0.22 -0.76 -3.33 0.00 0.00 175.10 171.68 1x5m s LEU 96 N 0.92 4.40 -0.42 2.54 1.43 0.66 -2.13 118.68 126.07 1x5m s LEU 96 Ca 0.01 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1x5m s LEU 96 Cb -0.14 -2.35 0.13 0.00 0.03 0.00 0.00 46.19 43.86 1x5m s LEU 96 CO 0.02 0.35 0.21 -0.63 0.23 0.00 0.00 176.35 176.53 1x5m s ILE 97 N -1.13 1.38 -0.25 -0.59 -1.09 -0.73 -0.40 121.20 118.41 1x5m s ILE 97 Ca 0.21 -2.42 -0.29 0.00 -2.23 0.00 0.00 60.65 55.92 1x5m s ILE 97 Cb -0.13 -1.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.77 1x5m s ILE 97 CO 0.10 -0.86 1.15 -0.76 -1.23 0.00 0.00 174.94 173.34 1x5m s LEU 98 N 0.52 4.04 -0.28 2.97 1.43 0.15 -1.94 118.68 125.57 1x5m s LEU 98 Ca 0.16 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1x5m s LEU 98 Cb -0.24 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.51 1x5m s LEU 98 CO -0.03 -0.82 -0.07 0.00 0.23 0.00 0.00 176.35 175.66 1x5m n ARG 100 N 4.41 1.30 -3.23 0.00 5.12 -1.26 -0.80 116.66 122.20 1x5m n ARG 100 Ca -0.10 0.49 -0.38 0.00 -1.93 0.00 0.00 57.85 55.92 1x5m n ARG 100 Cb 0.42 -2.36 -0.06 0.00 -1.16 0.00 0.00 32.46 29.30 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 -2.79 4.37 0.41 5.56 1.02 -1.26 -2.44 119.74 124.60 1x5m s LYS 101 Ca 0.73 0.58 0.20 0.00 0.02 0.00 0.00 55.97 57.50 1x5m s LYS 101 Cb -0.43 -3.44 0.85 0.00 -0.52 0.00 0.00 37.83 34.29 1x5m s LYS 101 CO 0.48 0.14 1.82 -0.22 -0.92 0.00 0.00 175.35 176.65 1x5m h LYS 102 N 6.69 0.00 -2.09 1.68 3.11 -1.78 -3.41 116.57 120.76 1x5m h LYS 102 Ca -0.41 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.25 1x5m h LYS 102 Cb 1.18 0.00 -0.31 0.00 -1.00 0.00 0.00 32.23 32.11 1x5m h LYS 102 CO 0.75 0.32 -0.50 0.14 -2.81 0.00 0.00 179.45 177.35 1x5m s VAL 103 N -3.81 -0.55 1.31 2.00 -7.23 -1.26 -4.99 120.40 105.86 1x5m s VAL 103 Ca -0.01 -0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.91 1x5m s VAL 103 Cb 0.12 -0.76 0.32 0.00 0.56 0.00 0.00 36.38 36.62 1x5m s VAL 103 CO 0.67 -0.11 0.73 -0.62 -0.31 0.00 0.00 175.10 175.46 1x5m n GLU 104 N 5.36 -3.89 -3.75 4.82 4.71 -1.26 -4.12 120.64 122.50 1x5m n GLU 104 Ca -0.04 -1.22 -0.28 0.00 -0.01 0.00 0.00 57.16 55.60 1x5m n GLU 104 Cb 0.50 -1.73 0.01 0.00 -1.01 0.00 0.00 31.44 29.21 1x5m n GLU 104 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x5m n ASN 105 N -4.55 -5.13 -3.18 1.62 3.02 -1.26 -4.94 115.26 100.84 1x5m n ASN 105 Ca 0.12 -0.95 0.02 0.00 -0.03 0.00 0.00 54.58 53.74 1x5m n ASN 105 Cb 0.50 -2.42 -0.01 0.00 -0.61 0.00 0.00 39.78 37.24 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 -3.21 -0.96 0.58 3.41 2.01 -1.26 -5.06 115.64 111.16 1x5m s THR 106 Ca 0.21 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 1x5m s THR 106 Cb -0.10 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1x5m s THR 106 CO 0.89 -0.04 1.21 -0.60 -0.69 0.00 0.00 174.62 175.40 1x5m s ARG 107 N 2.63 3.04 -0.59 4.92 3.52 -1.26 -4.73 118.95 126.47 1x5m s ARG 107 Ca 0.11 1.84 -0.04 0.00 -0.13 0.00 0.00 55.73 57.51 1x5m s ARG 107 Cb -0.09 -1.97 0.15 0.00 -1.56 0.00 0.00 34.95 31.48 1x5m s ARG 107 CO -0.23 -1.16 0.42 -1.58 -0.81 0.00 0.00 175.30 171.94 1x5m s TRP 108 N -1.58 3.47 0.62 5.12 0.52 -1.26 -4.90 118.94 120.93 1x5m s TRP 108 Ca 0.76 -2.53 0.30 0.00 0.02 0.00 0.00 56.10 54.65 1x5m s TRP 108 Cb -0.31 -3.28 1.65 0.00 -1.15 0.00 0.00 33.47 30.38 1x5m s TRP 108 CO 0.34 -0.89 2.01 -0.44 0.02 0.00 0.00 176.95 177.98 1x5m h ASP 109 N 7.39 0.00 -4.99 2.95 3.32 -1.98 -3.42 116.42 119.69 1x5m h ASP 109 Ca -0.04 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1x5m h ASP 109 Cb 0.99 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.34 1x5m h ASP 109 CO 0.73 0.00 0.06 -0.31 -1.72 0.00 0.00 179.24 178.00 1x5m s TYR 110 N -4.44 -0.53 0.11 4.55 2.02 -1.26 -4.97 117.35 112.84 1x5m s TYR 110 Ca -0.04 0.89 -0.26 0.00 -0.37 0.00 0.00 57.07 57.29 1x5m s TYR 110 Cb 0.13 0.32 -0.08 0.00 -0.40 0.00 0.00 41.96 41.94 1x5m s TYR 110 CO 0.46 -0.55 1.65 1.25 -1.57 0.00 0.00 175.55 176.79 1x5m h LEU 111 N 3.25 -0.61 -9.64 -1.29 6.46 -1.97 -3.39 115.31 108.12 1x5m h LEU 111 Ca -0.28 0.08 -0.63 0.00 -0.12 0.00 0.00 57.88 56.93 1x5m h LEU 111 Cb 1.15 0.24 -0.13 0.00 -0.73 0.00 0.00 40.66 41.19 1x5m h LEU 111 CO 0.39 -0.29 -0.61 0.42 -0.62 0.00 0.00 178.44 177.73 1x5m s THR 112 N -6.09 2.00 0.09 1.05 -4.23 -1.26 -2.72 115.64 104.49 1x5m s THR 112 Ca -0.15 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.19 1x5m s THR 112 Cb 0.08 -2.97 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 1x5m s THR 112 CO 0.66 -0.01 1.44 1.56 -0.54 0.00 0.00 174.62 177.72 1x5m h GLN 113 N 1.79 0.64 -0.53 3.99 4.20 -1.78 -3.24 115.11 120.19 1x5m h GLN 113 Ca -0.44 -0.30 0.05 0.00 0.06 0.00 0.00 58.65 58.02 1x5m h GLN 113 Cb 1.24 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 1x5m h GLN 113 CO 0.80 0.89 -0.32 0.28 -0.67 0.00 0.00 178.83 179.81 1x5m h VAL 114 N 0.38 0.00 -0.82 -0.54 2.07 -1.90 0.23 116.25 115.67 1x5m h VAL 114 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 1x5m h VAL 114 Cb 0.73 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.37 1x5m h VAL 114 CO 0.05 0.00 -0.43 -0.08 0.02 0.00 0.00 177.57 177.13 1x5m h GLU 115 N -0.01 -0.09 -0.06 1.57 4.81 -1.96 0.41 114.58 119.26 1x5m h GLU 115 Ca 0.08 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1x5m h GLU 115 Cb 0.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1x5m h GLU 115 CO -0.50 -0.06 -0.22 -0.22 -0.73 0.00 0.00 179.01 177.28 1x5m h LYS 116 N -0.09 -0.22 -0.66 1.92 3.64 -0.71 0.99 116.57 121.43 1x5m h LYS 116 Ca 0.25 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1x5m h LYS 116 Cb 0.55 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 1x5m h LYS 116 CO -0.85 -0.15 -0.41 0.93 -2.27 0.00 0.00 179.45 176.70 1x5m h GLU 117 N -0.23 -0.16 0.09 1.90 4.39 0.59 1.30 114.58 122.46 1x5m h GLU 117 Ca 0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x5m h GLU 117 Cb 0.27 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1x5m h GLU 117 CO -0.18 -0.11 -0.25 0.00 -1.16 0.00 0.00 179.01 177.31 1x5m h LYS 119 N -0.39 -0.06 0.00 0.00 1.79 0.21 -3.42 116.57 114.71 1x5m h LYS 119 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1x5m h LYS 119 Cb 0.38 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1x5m h LYS 119 CO -0.12 -0.04 0.00 0.39 -1.08 0.00 0.00 179.45 178.60 1x5m n GLU 120 N -5.48 3.59 -1.89 3.15 1.02 0.44 -5.03 120.64 116.45 1x5m n GLU 120 Ca 0.08 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.84 1x5m n GLU 120 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1x5m n GLU 120 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x5m s LYS 121 N 2.92 3.41 0.30 3.49 1.02 -1.13 -4.80 119.74 124.95 1x5m s LYS 121 Ca 0.00 2.18 -0.11 0.00 0.02 0.00 0.00 55.97 58.06 1x5m s LYS 121 Cb 0.00 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1x5m s LYS 121 CO 0.00 -0.96 0.55 -1.54 -0.92 0.00 0.00 175.35 172.49 1x5m s SER 122 N -0.92 0.18 0.00 2.83 1.04 -1.23 -4.25 113.70 111.35 1x5m s SER 122 Ca 0.67 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1x5m s SER 122 Cb -0.39 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x5m s SER 122 CO 0.47 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1x5m n GLY 123 N -0.46 1.12 3.44 7.32 0.00 -1.26 -4.94 105.19 110.41 1x5m n GLY 123 Ca -0.02 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 2.37 -1.48 1.61 -0.04 -1.26 -4.81 135.00 131.38 1x5m n PRO 124 Ca 0.00 -2.75 0.18 0.00 -0.04 0.00 0.00 63.50 60.90 1x5m n PRO 124 Cb 0.00 -3.51 -0.09 0.00 -0.04 0.00 0.00 33.50 29.86 1x5m n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5m n SER 125 N 10.38 -8.29 -4.37 3.54 2.88 -1.26 -4.70 113.62 111.80 1x5m n SER 125 Ca 0.48 1.37 -0.44 0.00 -1.33 0.00 0.00 58.87 58.95 1x5m n SER 125 Cb 0.45 -5.01 -0.08 0.00 -0.75 0.00 0.00 64.21 58.82 1x5m n SER 125 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5m s SER 126 N -7.33 6.08 0.00 -3.46 1.04 -1.26 -5.18 113.70 103.58 1x5m s SER 126 Ca 0.00 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1x5m s SER 126 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1x5m s SER 126 CO 0.00 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19