#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m s SER 2 N 0.00 -0.13 0.43 1.61 0.15 -1.26 -5.10 113.70 109.41 1x5m s SER 2 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1x5m s SER 2 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1x5m s SER 2 CO 0.00 -0.78 0.00 -1.20 1.20 0.00 0.00 173.24 172.46 1x5m n SER 3 N -0.55 -3.35 0.00 5.45 7.64 -1.26 -5.13 113.62 116.42 1x5m n SER 3 Ca -0.06 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1x5m n SER 3 Cb 0.61 3.16 0.00 0.00 -1.01 0.00 0.00 64.21 66.97 1x5m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 4 N -0.81 3.51 1.09 0.23 0.00 -1.26 -4.99 105.19 102.95 1x5m n GLY 4 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 8.91 -6.36 0.00 1.61 2.88 -1.26 -5.11 113.62 114.29 1x5m n SER 5 Ca 0.00 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1x5m n SER 5 Cb 0.00 -2.54 0.00 0.00 -0.75 0.00 0.00 64.21 60.92 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 0.08 0.00 0.00 -3.46 7.64 -1.26 -5.17 113.62 111.45 1x5m n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x5m n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x5m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 7 N -0.18 1.63 3.16 0.23 0.00 -1.26 -5.18 105.19 103.59 1x5m n GLY 7 Ca 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 1x5m n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5m s VAL 8 N 0.00 1.00 -0.02 1.61 0.11 -1.26 -5.15 120.40 116.69 1x5m s VAL 8 Ca 0.00 -1.38 0.04 0.00 -2.93 0.00 0.00 61.98 57.71 1x5m s VAL 8 Cb 0.00 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1x5m s VAL 8 CO 0.00 -0.34 -0.13 0.54 -3.33 0.00 0.00 175.10 171.84 1x5m s VAL 9 N -1.62 1.08 0.12 2.04 0.11 -1.26 -5.15 120.40 115.72 1x5m s VAL 9 Ca -0.01 -0.56 0.06 0.00 -2.93 0.00 0.00 61.98 58.54 1x5m s VAL 9 Cb -0.08 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1x5m s VAL 9 CO 0.02 0.31 -0.14 0.00 -3.33 0.00 0.00 175.10 171.96 1x5m s ALA 10 N -0.16 1.47 1.03 1.54 0.00 -1.26 -5.15 121.76 119.23 1x5m s ALA 10 Ca 0.02 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 1x5m s ALA 10 Cb -0.07 -0.07 0.21 0.00 0.00 0.00 0.00 23.12 23.19 1x5m s ALA 10 CO 0.00 0.09 1.19 -1.25 0.00 0.00 0.00 175.76 175.80 1x5m s PRO 11 N -2.69 0.14 -0.46 0.00 0.04 -1.26 -4.90 135.00 125.87 1x5m s PRO 11 Ca 0.09 -0.08 -0.27 0.00 0.04 0.00 0.00 61.00 60.78 1x5m s PRO 11 Cb -0.05 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1x5m s PRO 11 CO 0.03 -2.80 2.08 0.96 0.04 0.00 0.00 177.00 177.31 1x5m s ILE 12 N -3.40 3.21 -0.24 0.56 -5.25 -1.26 -4.92 121.20 109.90 1x5m s ILE 12 Ca 0.70 0.16 0.01 0.00 -0.99 0.00 0.00 60.65 60.53 1x5m s ILE 12 Cb -0.09 -3.44 0.06 0.00 2.95 0.00 0.00 42.46 41.94 1x5m s ILE 12 CO 0.54 -0.39 -0.04 0.42 -1.79 0.00 0.00 174.94 173.68 1x5m s THR 13 N 9.64 1.55 0.00 8.37 -4.23 -1.26 -5.08 115.64 124.64 1x5m s THR 13 Ca 0.84 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1x5m s THR 13 Cb -0.19 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1x5m s THR 13 CO 0.27 -0.16 0.00 0.35 -0.54 0.00 0.00 174.62 174.54 1x5m n THR 14 N 4.65 0.00 0.00 3.99 -2.24 -1.26 -5.01 114.28 114.41 1x5m n THR 14 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1x5m n THR 14 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.84 3.47 3.38 0.00 -1.26 -5.09 105.19 106.53 1x5m n GLY 15 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.87 0.17 0.05 1.61 -0.85 -1.26 -4.95 117.35 109.24 1x5m s TYR 16 Ca 0.00 0.59 -0.04 0.00 -0.52 0.00 0.00 57.07 57.10 1x5m s TYR 16 Cb 0.00 -3.20 -0.05 0.00 0.38 0.00 0.00 41.96 39.09 1x5m s TYR 16 CO 0.00 -4.29 0.27 0.99 -1.52 0.00 0.00 175.55 171.00 1x5m s THR 17 N -2.68 5.31 0.50 -3.49 2.01 -1.26 -4.53 115.64 111.50 1x5m s THR 17 Ca 0.70 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.47 1x5m s THR 17 Cb -0.12 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 1x5m s THR 17 CO 0.57 0.23 1.02 -0.69 -0.69 0.00 0.00 174.62 175.06 1x5m s VAL 18 N -1.44 3.98 -0.30 3.82 1.01 0.43 -4.78 120.40 123.13 1x5m s VAL 18 Ca 0.32 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.36 1x5m s VAL 18 Cb -0.13 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1x5m s VAL 18 CO 0.21 -0.35 0.16 -0.75 0.00 0.00 0.00 175.10 174.38 1x5m s LYS 19 N -3.45 3.53 -0.82 2.72 2.20 -1.26 0.14 119.74 122.80 1x5m s LYS 19 Ca 0.65 -0.59 -0.26 0.00 -0.36 0.00 0.00 55.97 55.41 1x5m s LYS 19 Cb -0.14 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1x5m s LYS 19 CO 0.23 -0.34 1.42 0.42 -0.36 0.00 0.00 175.35 176.72 1x5m s ILE 20 N 1.66 3.73 -0.08 5.43 1.01 -0.52 -4.78 121.20 127.65 1x5m s ILE 20 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1x5m s ILE 20 Cb -0.17 -4.82 -0.29 0.00 0.01 0.00 0.00 42.46 37.20 1x5m s ILE 20 CO 0.07 -1.75 0.56 0.77 0.00 0.00 0.00 174.94 174.60 1x5m h SER 21 N 10.50 0.52 -3.87 3.58 4.64 -1.96 -3.45 113.55 123.51 1x5m h SER 21 Ca -0.12 -0.92 -0.64 0.00 -0.47 0.00 0.00 61.79 59.64 1x5m h SER 21 Cb 1.05 -0.17 -0.17 0.00 -0.31 0.00 0.00 62.40 62.79 1x5m h SER 21 CO 1.32 1.78 -0.52 0.21 -0.87 0.00 0.00 176.83 178.74 1x5m s ASN 22 N -7.18 5.98 -0.12 4.97 2.47 -1.26 -5.06 114.94 114.74 1x5m s ASN 22 Ca -0.19 -0.05 -0.11 0.00 0.42 0.00 0.00 52.86 52.94 1x5m s ASN 22 Cb 0.06 -2.11 0.03 0.00 -1.45 0.00 0.00 41.25 37.77 1x5m s ASN 22 CO 0.81 -0.06 0.31 -0.72 -3.72 0.00 0.00 177.10 173.72 1x5m s TYR 23 N 1.75 -0.34 -0.16 0.43 -0.85 -1.26 -4.79 117.35 112.13 1x5m s TYR 23 Ca 0.07 0.83 -0.18 0.00 -0.52 0.00 0.00 57.07 57.27 1x5m s TYR 23 Cb -0.16 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1x5m s TYR 23 CO 0.11 -0.16 0.48 0.20 -1.52 0.00 0.00 175.55 174.65 1x5m s GLY 24 N 0.18 2.24 0.04 5.49 0.00 -0.77 -4.99 107.32 109.51 1x5m s GLY 24 Ca -0.00 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.46 1x5m s GLY 24 CO 0.00 0.87 -0.15 0.66 0.00 0.00 0.00 173.10 174.48 1x5m s TRP 25 N 1.05 1.32 -0.26 1.90 1.48 -1.26 0.22 118.94 123.39 1x5m s TRP 25 Ca 0.24 -0.36 -0.18 0.00 -1.06 0.00 0.00 56.10 54.74 1x5m s TRP 25 Cb -0.15 -0.78 0.07 0.00 -1.16 0.00 0.00 33.47 31.45 1x5m s TRP 25 CO 0.09 0.05 0.67 -0.51 -4.06 0.00 0.00 176.95 173.19 1x5m s ASP 26 N -1.17 -0.83 0.14 -2.66 1.01 -0.64 -4.90 116.67 107.61 1x5m s ASP 26 Ca 0.02 1.43 -0.03 0.00 0.71 0.00 0.00 52.55 54.68 1x5m s ASP 26 Cb -0.08 1.35 -0.03 0.00 1.01 0.00 0.00 42.92 45.17 1x5m s ASP 26 CO 0.01 -0.24 0.12 0.00 0.21 0.00 0.00 175.17 175.28 1x5m s GLN 27 N 1.15 0.99 -0.00 8.23 1.03 -1.26 -3.11 119.66 126.69 1x5m s GLN 27 Ca -0.06 -1.36 0.00 0.00 0.04 0.00 0.00 55.36 53.98 1x5m s GLN 27 Cb -0.05 0.28 0.00 0.00 0.03 0.00 0.00 33.01 33.27 1x5m s GLN 27 CO -0.12 -0.31 -0.01 0.45 -2.54 0.00 0.00 175.29 172.76 1x5m s SER 28 N -3.03 0.17 -0.88 12.60 0.15 -1.03 -4.95 113.70 116.74 1x5m s SER 28 Ca 0.22 -0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.73 1x5m s SER 28 Cb 0.06 -0.03 -0.28 0.00 -1.71 0.00 0.00 66.02 64.07 1x5m s SER 28 CO 0.01 0.01 1.99 0.47 1.20 0.00 0.00 173.24 176.93 1x5m n ASP 29 N 3.11 -0.97 0.00 5.45 8.00 -1.26 -0.87 116.55 130.01 1x5m n ASP 29 Ca -0.13 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1x5m n ASP 29 Cb 0.59 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 5.40 0.00 -4.02 -1.24 4.76 -1.26 -4.10 118.16 117.70 1x5m n LYS 30 Ca 0.59 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.94 1x5m n LYS 30 Cb 0.10 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.24 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 0.46 -0.05 2.13 0.08 -0.05 -4.20 117.98 116.36 1x5m s PHE 31 Ca 0.00 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.29 1x5m s PHE 31 Cb 0.00 0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.57 1x5m s PHE 31 CO 0.00 -0.98 -0.21 0.08 -0.10 0.00 0.00 175.22 174.02 1x5m s VAL 32 N -3.96 1.69 -0.00 -0.44 1.01 0.12 -2.46 120.40 116.36 1x5m s VAL 32 Ca 0.24 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1x5m s VAL 32 Cb -0.00 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1x5m s VAL 32 CO 0.10 0.48 0.22 -0.75 0.00 0.00 0.00 175.10 175.15 1x5m s LYS 33 N -0.09 0.59 0.10 2.72 2.20 -1.18 0.20 119.74 124.29 1x5m s LYS 33 Ca -0.03 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.32 1x5m s LYS 33 Cb -0.12 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 1x5m s LYS 33 CO 0.02 -0.16 -0.17 0.42 -0.36 0.00 0.00 175.35 175.11 1x5m s ILE 34 N -1.47 1.43 -0.27 5.43 1.09 -0.90 -1.62 121.20 124.89 1x5m s ILE 34 Ca -0.13 -1.51 -0.01 0.00 -1.10 0.00 0.00 60.65 57.89 1x5m s ILE 34 Cb -0.06 -1.39 0.08 0.00 -1.06 0.00 0.00 42.46 40.03 1x5m s ILE 34 CO 0.02 -0.20 0.06 -0.31 -0.10 0.00 0.00 174.94 174.41 1x5m s TYR 35 N -1.45 1.58 0.01 3.97 1.51 0.61 -2.06 117.35 121.52 1x5m s TYR 35 Ca 0.04 -1.47 -0.01 0.00 -1.01 0.00 0.00 57.07 54.62 1x5m s TYR 35 Cb -0.09 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1x5m s TYR 35 CO 0.03 -0.78 0.17 0.42 -1.11 0.00 0.00 175.55 174.28 1x5m s ILE 36 N 1.66 5.26 -0.51 2.71 1.09 -0.99 -1.85 121.20 128.57 1x5m s ILE 36 Ca 0.05 -0.29 -0.20 0.00 -1.10 0.00 0.00 60.65 59.10 1x5m s ILE 36 Cb -0.17 -3.48 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 1x5m s ILE 36 CO -0.18 0.27 0.68 -0.89 -0.10 0.00 0.00 174.94 174.73 1x5m s THR 37 N -1.35 4.79 -0.29 2.92 2.01 -1.26 -1.63 115.64 120.83 1x5m s THR 37 Ca 0.29 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1x5m s THR 37 Cb -0.13 -4.34 0.10 0.00 0.01 0.00 0.00 72.50 68.14 1x5m s THR 37 CO 0.20 -0.86 0.12 -0.22 -0.69 0.00 0.00 174.62 173.17 1x5m s LEU 38 N 2.86 1.01 -0.20 4.42 1.98 0.66 -4.94 118.68 124.47 1x5m s LEU 38 Ca 0.18 -1.34 -0.29 0.00 -2.89 0.00 0.00 54.13 49.79 1x5m s LEU 38 Cb -0.18 -0.49 -0.01 0.00 0.66 0.00 0.00 46.19 46.17 1x5m s LEU 38 CO 0.13 -0.43 1.22 -0.89 -1.89 0.00 0.00 176.35 174.50 1x5m s THR 39 N 1.96 4.34 0.00 3.68 2.01 -1.23 -2.50 115.64 123.91 1x5m s THR 39 Ca 0.09 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1x5m s THR 39 Cb -0.16 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1x5m s THR 39 CO -0.32 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 1x5m n GLY 40 N 3.66 2.37 0.29 4.40 0.00 -1.26 -4.12 105.19 110.54 1x5m n GLY 40 Ca 0.14 0.00 0.17 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 0.00 -0.08 1.61 3.04 -1.86 1.50 116.25 120.46 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 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 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 -2.79 0.09 -0.00 3.17 1.44 -1.26 -3.58 115.22 112.28 1x5m n HIS 42 Ca -0.02 -0.04 0.03 0.00 -2.01 0.00 0.00 57.72 55.67 1x5m n HIS 42 Cb 0.19 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.25 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 0.18 0.30 -2.43 -1.40 6.02 0.51 -5.02 117.38 115.53 1x5m n GLN 43 Ca 0.18 -0.06 -0.32 0.00 -0.01 0.00 0.00 57.00 56.79 1x5m n GLN 43 Cb 0.33 -1.15 -0.03 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 -2.43 4.55 1.06 5.09 -7.23 -0.65 -5.06 120.40 115.73 1x5m s VAL 44 Ca -0.02 1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 61.16 1x5m s VAL 44 Cb 0.04 -3.72 0.23 0.00 0.56 0.00 0.00 36.38 33.49 1x5m s VAL 44 CO 0.26 -0.67 1.21 -2.16 -0.31 0.00 0.00 175.10 173.43 1x5m s PRO 45 N -4.05 -0.12 0.00 4.82 0.04 -1.26 -4.94 135.00 129.49 1x5m s PRO 45 Ca 0.58 -0.19 0.29 0.00 0.04 0.00 0.00 61.00 61.73 1x5m s PRO 45 Cb -0.10 -1.74 1.32 0.00 0.04 0.00 0.00 34.50 34.03 1x5m s PRO 45 CO 0.31 -2.95 1.95 -2.37 0.04 0.00 0.00 177.00 173.97 1x5m n THR 46 N -4.20 0.00 0.15 1.26 5.66 -1.26 -2.98 114.28 112.91 1x5m n THR 46 Ca 0.13 -0.01 0.09 0.00 -3.05 0.00 0.00 64.05 61.21 1x5m n THR 46 Cb 0.59 -0.39 0.06 0.00 -1.55 0.00 0.00 70.33 69.04 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 0.08 0.00 0.00 1.09 4.11 -2.00 -3.21 114.58 114.65 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 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x5m h GLU 47 CO 0.00 0.12 -0.78 -0.91 0.07 0.00 0.00 179.01 177.50 1x5m h ASN 48 N 0.00 0.00 -3.58 3.06 4.21 -1.85 -3.43 115.58 113.99 1x5m h ASN 48 Ca -0.02 -0.10 -0.70 0.00 1.21 0.00 0.00 56.30 56.69 1x5m h ASN 48 Cb 1.13 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.05 1x5m h ASN 48 CO 0.02 0.05 -0.54 -0.69 -1.29 0.00 0.00 177.43 174.97 1x5m s VAL 49 N -3.27 4.06 -0.25 2.81 1.01 -1.21 -0.38 120.40 123.17 1x5m s VAL 49 Ca 0.03 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1x5m s VAL 49 Cb 0.11 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 33.18 1x5m s VAL 49 CO 0.75 -0.31 -0.12 -1.10 0.00 0.00 0.00 175.10 174.33 1x5m s GLN 50 N 1.43 2.30 -0.04 2.72 -0.21 -0.50 -4.86 119.66 120.51 1x5m s GLN 50 Ca 0.01 -1.30 0.04 0.00 0.02 0.00 0.00 55.36 54.13 1x5m s GLN 50 Cb -0.21 -2.86 -0.00 0.00 1.00 0.00 0.00 33.01 30.95 1x5m s GLN 50 CO 0.03 -0.54 -0.16 0.54 -2.12 0.00 0.00 175.29 173.05 1x5m s VAL 51 N 1.12 1.31 -0.08 1.09 0.11 -1.26 0.17 120.40 122.87 1x5m s VAL 51 Ca -0.08 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1x5m s VAL 51 Cb -0.19 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1x5m s VAL 51 CO -0.06 0.38 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.62 1x5m s HIS 52 N 0.07 2.05 -0.04 1.54 5.04 0.56 -4.95 115.29 119.57 1x5m s HIS 52 Ca -0.04 -0.77 -0.03 0.00 -1.54 0.00 0.00 55.06 52.68 1x5m s HIS 52 Cb -0.11 -1.40 -0.04 0.00 0.04 0.00 0.00 32.58 31.07 1x5m s HIS 52 CO 0.02 -0.32 0.15 -0.06 -2.34 0.00 0.00 174.74 172.18 1x5m s PHE 53 N 0.38 3.50 0.00 3.88 0.08 -1.26 -0.32 117.98 124.24 1x5m s PHE 53 Ca -0.14 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1x5m s PHE 53 Cb -0.16 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1x5m s PHE 53 CO 0.06 0.65 0.00 0.25 -0.10 0.00 0.00 175.22 176.07 1x5m n THR 54 N 1.28 0.00 0.00 0.64 -2.24 -0.13 -4.78 114.28 109.06 1x5m n THR 54 Ca -0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1x5m n THR 54 Cb 0.53 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.65 -1.08 -0.78 4.11 -1.96 -3.38 114.58 112.14 1x5m h GLU 55 Ca 0.00 -0.61 -0.37 0.00 0.07 0.00 0.00 59.36 58.45 1x5m h GLU 55 Cb 0.00 0.15 -0.39 0.00 0.50 0.00 0.00 28.75 29.02 1x5m h GLU 55 CO 0.00 1.22 -1.15 0.54 0.07 0.00 0.00 179.01 179.68 1x5m n ARG 56 N -4.02 1.12 0.00 1.06 5.12 -1.26 0.18 116.66 118.86 1x5m n ARG 56 Ca -0.09 -3.19 0.00 0.00 -1.93 0.00 0.00 57.85 52.64 1x5m n ARG 56 Cb 0.75 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.81 1x5m n ARG 56 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1x5m n SER 57 N -0.04 0.00 -3.58 0.55 7.64 -1.26 -2.28 113.62 114.65 1x5m n SER 57 Ca 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.98 1x5m n SER 57 Cb 0.80 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.94 1x5m n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x5m s PHE 58 N -2.00 -0.49 0.11 1.43 -0.12 0.43 -0.95 117.98 116.39 1x5m s PHE 58 Ca 0.00 0.93 0.04 0.00 -0.05 0.00 0.00 56.93 57.86 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 0.06 0.16 -0.05 0.00 0.00 175.22 175.14 1x5m s ASP 59 N 1.55 5.28 -0.16 1.98 -4.77 0.57 -0.07 116.67 121.04 1x5m s ASP 59 Ca -0.07 -0.13 -0.04 0.00 -3.30 0.00 0.00 52.55 49.01 1x5m s ASP 59 Cb -0.04 -1.33 0.08 0.00 -1.09 0.00 0.00 42.92 40.54 1x5m s ASP 59 CO -0.15 0.14 0.27 -0.22 0.70 0.00 0.00 175.17 175.92 1x5m s LEU 60 N -2.56 -0.30 0.10 2.11 0.20 0.58 -0.32 118.68 118.50 1x5m s LEU 60 Ca 0.28 0.36 0.04 0.00 0.69 0.00 0.00 54.13 55.51 1x5m s LEU 60 Cb -0.11 0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 46.29 1x5m s LEU 60 CO 0.21 -0.27 0.04 -0.22 -0.29 0.00 0.00 176.35 175.82 1x5m s LEU 61 N 2.41 3.61 -0.19 -0.68 1.98 0.46 0.76 118.68 127.03 1x5m s LEU 61 Ca 0.04 -0.14 -0.04 0.00 -2.89 0.00 0.00 54.13 51.10 1x5m s LEU 61 Cb -0.13 -2.30 0.09 0.00 0.66 0.00 0.00 46.19 44.51 1x5m s LEU 61 CO -0.10 0.15 0.26 -0.69 -1.89 0.00 0.00 176.35 174.08 1x5m s VAL 62 N -1.43 -0.41 0.35 1.68 1.01 0.17 -1.41 120.40 120.36 1x5m s VAL 62 Ca 0.28 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1x5m s VAL 62 Cb -0.11 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1x5m s VAL 62 CO 0.20 -0.09 0.15 -0.54 0.00 0.00 0.00 175.10 174.82 1x5m s LYS 63 N 2.40 2.35 0.00 2.72 1.02 0.48 0.95 119.74 129.66 1x5m s LYS 63 Ca 0.06 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1x5m s LYS 63 Cb -0.15 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1x5m s LYS 63 CO -0.12 0.06 0.00 -1.71 -0.92 0.00 0.00 175.35 172.67 1x5m n ASN 64 N -1.17 -6.65 0.00 2.83 2.85 -1.25 -4.79 115.26 107.07 1x5m n ASN 64 Ca -0.02 0.45 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1x5m n ASN 64 Cb 0.62 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 40.07 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 1.40 0.00 -3.71 1.20 7.94 0.61 -4.77 117.00 119.67 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 0.45 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.35 1x5m n LEU 65 CO 0.00 0.00 2.14 -3.20 -1.11 0.00 0.00 177.39 175.22 1x5m n ASN 66 N 0.00 2.74 -1.34 1.96 2.85 -1.26 -3.84 115.26 116.37 1x5m n ASN 66 Ca 0.00 -2.70 -0.16 0.00 -0.11 0.00 0.00 54.58 51.61 1x5m n ASN 66 Cb 0.00 -1.22 -0.06 0.00 1.24 0.00 0.00 39.78 39.74 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 4.58 1.25 3.34 8.20 0.00 -1.26 -4.90 105.19 116.40 1x5m n GLY 67 Ca 0.50 -0.25 -0.03 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 0.58 -4.30 1.61 2.85 -1.25 -4.87 118.16 110.24 1x5m n LYS 68 Ca -0.17 -1.31 -0.23 0.00 -1.05 0.00 0.00 58.31 55.56 1x5m n LYS 68 Cb 0.55 1.76 -0.12 0.00 -0.65 0.00 0.00 35.03 36.57 1x5m n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5m s SER 69 N -3.11 2.59 0.06 -5.58 1.04 -1.26 0.22 113.70 107.66 1x5m s SER 69 Ca 0.20 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1x5m s SER 69 Cb -0.03 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1x5m s SER 69 CO 0.05 0.03 -0.15 -0.31 0.98 0.00 0.00 173.24 173.84 1x5m s TYR 70 N -1.45 1.27 -0.00 5.02 1.51 0.27 0.16 117.35 124.14 1x5m s TYR 70 Ca 0.09 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1x5m s TYR 70 Cb -0.09 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1x5m s TYR 70 CO 0.05 0.06 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.94 1x5m s SER 71 N -1.54 0.87 -0.12 2.29 1.04 0.38 0.41 113.70 117.02 1x5m s SER 71 Ca -0.00 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 1x5m s SER 71 Cb -0.09 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 65.99 1x5m s SER 71 CO 0.02 0.08 0.27 -0.32 0.98 0.00 0.00 173.24 174.27 1x5m s MET 72 N -0.22 0.19 0.01 4.02 0.00 0.23 -1.44 119.30 122.09 1x5m s MET 72 Ca 0.02 0.65 0.01 0.00 0.00 0.00 0.00 55.69 56.37 1x5m s MET 72 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 34.83 34.72 1x5m s MET 72 CO -0.00 -0.22 -0.03 0.42 0.00 0.00 0.00 175.02 175.19 1x5m s ILE 73 N 1.80 0.20 -0.11 10.11 1.01 -1.26 0.22 121.20 133.17 1x5m s ILE 73 Ca -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1x5m s ILE 73 Cb -0.11 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.17 1x5m s ILE 73 CO -0.09 -0.06 -0.11 0.68 0.00 0.00 0.00 174.94 175.36 1x5m s VAL 74 N -0.36 1.22 -0.02 2.92 -7.23 0.89 -4.98 120.40 112.84 1x5m s VAL 74 Ca -0.02 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 59.74 1x5m s VAL 74 Cb -0.03 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 1x5m s VAL 74 CO -0.00 0.39 -0.16 0.20 -0.31 0.00 0.00 175.10 175.22 1x5m s ASN 75 N 1.28 1.97 0.00 4.85 0.01 -1.26 -0.42 114.94 121.37 1x5m s ASN 75 Ca -0.02 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1x5m s ASN 75 Cb -0.14 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.17 1x5m s ASN 75 CO -0.04 0.18 0.00 0.59 -1.51 0.00 0.00 177.10 176.31 1x5m n ASN 76 N 2.87 -1.56 -4.73 -1.22 3.02 -1.09 -4.81 115.26 107.76 1x5m n ASN 76 Ca -0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 1x5m n ASN 76 Cb 0.54 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.91 4.49 0.27 3.41 1.43 -0.97 0.02 118.68 125.41 1x5m s LEU 77 Ca 0.00 1.79 -0.06 0.00 -1.03 0.00 0.00 54.13 54.83 1x5m s LEU 77 Cb 0.00 -3.59 0.49 0.00 0.03 0.00 0.00 46.19 43.12 1x5m s LEU 77 CO 0.00 -0.09 1.59 0.25 0.23 0.00 0.00 176.35 178.33 1x5m h LEU 78 N 5.68 -0.63 -9.00 1.79 5.85 -1.67 -3.41 115.31 113.92 1x5m h LEU 78 Ca -0.43 0.25 -0.51 0.00 0.84 0.00 0.00 57.88 58.04 1x5m h LEU 78 Cb 1.21 0.49 -0.14 0.00 0.37 0.00 0.00 40.66 42.58 1x5m h LEU 78 CO 0.72 -0.28 -0.74 -0.54 -0.34 0.00 0.00 178.44 177.26 1x5m s LYS 79 N -6.16 1.45 0.71 1.25 -0.14 -1.26 -4.89 119.74 110.70 1x5m s LYS 79 Ca -0.14 -1.65 -0.11 0.00 -1.36 0.00 0.00 55.97 52.72 1x5m s LYS 79 Cb 0.25 -1.36 0.02 0.00 -1.68 0.00 0.00 37.83 35.06 1x5m s LYS 79 CO 0.77 0.24 1.06 -1.25 -0.76 0.00 0.00 175.35 175.41 1x5m s PRO 80 N -3.56 2.83 -0.03 -1.68 0.04 -1.26 -4.79 135.00 126.55 1x5m s PRO 80 Ca 0.25 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 1x5m s PRO 80 Cb -0.02 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1x5m s PRO 80 CO 0.10 -1.17 0.09 0.96 0.04 0.00 0.00 177.00 177.02 1x5m s ILE 81 N -3.06 0.02 0.14 0.56 -5.25 0.47 -2.66 121.20 111.42 1x5m s ILE 81 Ca 0.58 -0.16 -0.30 0.00 -0.99 0.00 0.00 60.65 59.78 1x5m s ILE 81 Cb -0.14 -0.19 -0.07 0.00 2.95 0.00 0.00 42.46 45.01 1x5m s ILE 81 CO 0.55 -0.09 1.21 -0.55 -1.79 0.00 0.00 174.94 174.27 1x5m s SER 82 N -0.25 7.06 -0.01 4.36 0.15 -1.08 -3.95 113.70 119.97 1x5m s SER 82 Ca -0.03 2.17 -0.01 0.00 0.70 0.00 0.00 55.95 58.78 1x5m s SER 82 Cb -0.02 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1x5m s SER 82 CO 0.00 -0.42 0.15 0.58 1.20 0.00 0.00 173.24 174.75 1x5m h VAL 83 N 4.02 0.00 -0.94 4.45 2.07 -1.87 0.29 116.25 124.27 1x5m h VAL 83 Ca -0.43 -0.14 0.27 0.00 0.82 0.00 0.00 66.70 67.22 1x5m h VAL 83 Cb 1.21 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1x5m h VAL 83 CO 0.77 0.00 0.80 -0.33 0.02 0.00 0.00 177.57 178.84 1x5m h GLU 84 N -0.17 0.00 0.02 1.57 5.08 -1.93 0.97 114.58 120.13 1x5m h GLU 84 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1x5m h GLU 84 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1x5m h GLU 84 CO 0.01 0.00 -1.57 0.78 -1.00 0.00 0.00 179.01 177.22 1x5m h GLY 85 N 0.00 0.05 -1.51 -3.84 0.00 -1.97 -3.47 103.07 92.33 1x5m h GLY 85 Ca 0.45 -0.13 -0.53 0.00 0.00 0.00 0.00 47.33 47.12 1x5m h GLY 85 CO -0.00 0.12 0.22 1.44 0.00 0.00 0.00 176.54 178.31 1x5m n SER 86 N -3.18 0.52 -3.54 0.19 7.64 0.34 -4.63 113.62 110.96 1x5m n SER 86 Ca -0.15 0.50 -0.13 0.00 1.01 0.00 0.00 58.87 60.11 1x5m n SER 86 Cb 1.03 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 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 -2.32 -0.44 0.04 6.43 0.01 0.22 -4.93 113.70 112.71 1x5m s SER 87 Ca 0.70 0.02 0.08 0.00 1.31 0.00 0.00 55.95 58.06 1x5m s SER 87 Cb -0.26 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1x5m s SER 87 CO 0.55 -0.83 -0.23 -0.75 0.41 0.00 0.00 173.24 172.39 1x5m s LYS 88 N -3.15 1.58 0.17 12.44 2.36 -1.26 0.77 119.74 132.65 1x5m s LYS 88 Ca -0.01 -1.02 0.01 0.00 -2.55 0.00 0.00 55.97 52.39 1x5m s LYS 88 Cb -0.00 -1.73 -0.04 0.00 -1.05 0.00 0.00 37.83 35.01 1x5m s LYS 88 CO -0.07 0.44 0.02 0.15 1.55 0.00 0.00 175.35 177.44 1x5m s LYS 89 N -1.21 1.09 -0.04 4.03 1.02 0.19 -4.90 119.74 119.93 1x5m s LYS 89 Ca 0.09 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.57 1x5m s LYS 89 Cb -0.09 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1x5m s LYS 89 CO 0.02 -0.18 -0.04 0.08 -0.92 0.00 0.00 175.35 174.31 1x5m s VAL 90 N -3.77 0.49 0.21 3.17 1.01 -1.26 0.22 120.40 120.48 1x5m s VAL 90 Ca 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1x5m s VAL 90 Cb 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1x5m s VAL 90 CO 0.04 0.21 0.11 2.29 0.00 0.00 0.00 175.10 177.75 1x5m n LYS 91 N 3.93 1.29 -1.90 2.72 2.85 0.55 -4.86 118.16 122.74 1x5m n LYS 91 Ca -0.25 -1.39 -0.43 0.00 -1.05 0.00 0.00 58.31 55.19 1x5m n LYS 91 Cb 0.51 0.23 -0.03 0.00 -0.65 0.00 0.00 35.03 35.09 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 -1.29 3.35 -1.42 0.58 2.01 -1.26 -2.12 115.64 115.50 1x5m s THR 92 Ca 0.08 0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 1x5m s THR 92 Cb -0.01 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1x5m s THR 92 CO 0.05 -0.31 0.29 0.47 -0.69 0.00 0.00 174.62 174.44 1x5m n ASP 93 N 10.70 -4.98 -3.67 3.53 8.00 -1.25 -4.93 116.55 123.95 1x5m n ASP 93 Ca 0.25 -0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1x5m n ASP 93 Cb 0.46 -4.12 -0.08 0.00 -0.02 0.00 0.00 41.12 37.37 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 -2.95 0.01 -0.19 -3.53 2.01 -0.90 -0.25 115.64 109.85 1x5m s THR 94 Ca 0.18 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1x5m s THR 94 Cb -0.09 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1x5m s THR 94 CO 0.22 -0.07 -0.09 0.54 -0.69 0.00 0.00 174.62 174.53 1x5m s VAL 95 N -0.49 3.06 0.10 3.82 0.11 -0.65 0.20 120.40 126.56 1x5m s VAL 95 Ca -0.06 -0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 1x5m s VAL 95 Cb -0.03 -2.35 -0.06 0.00 -1.53 0.00 0.00 36.38 32.41 1x5m s VAL 95 CO 0.04 0.47 0.43 -0.76 -3.33 0.00 0.00 175.10 171.95 1x5m s LEU 96 N 1.11 4.33 -0.38 2.54 1.43 0.60 -2.35 118.68 125.97 1x5m s LEU 96 Ca 0.01 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1x5m s LEU 96 Cb -0.14 -3.09 0.13 0.00 0.03 0.00 0.00 46.19 43.11 1x5m s LEU 96 CO -0.02 0.14 0.21 -0.63 0.23 0.00 0.00 176.35 176.27 1x5m s ILE 97 N -1.46 0.76 -0.17 -0.59 -1.09 -0.88 -0.63 121.20 117.15 1x5m s ILE 97 Ca 0.35 -2.00 -0.29 0.00 -2.23 0.00 0.00 60.65 56.48 1x5m s ILE 97 Cb -0.14 -1.55 -0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1x5m s ILE 97 CO 0.19 -0.90 1.11 -0.76 -1.23 0.00 0.00 174.94 173.34 1x5m s LEU 98 N 0.87 4.17 -0.23 2.97 1.43 0.23 -2.13 118.68 125.99 1x5m s LEU 98 Ca 0.16 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 1x5m s LEU 98 Cb -0.23 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.49 1x5m s LEU 98 CO -0.04 -0.64 -0.14 0.00 0.23 0.00 0.00 176.35 175.76 1x5m n ARG 100 N 4.53 1.20 -3.42 0.00 5.12 -1.26 -0.70 116.66 122.14 1x5m n ARG 100 Ca -0.16 0.46 -0.44 0.00 -1.93 0.00 0.00 57.85 55.78 1x5m n ARG 100 Cb 0.45 -2.47 -0.08 0.00 -1.16 0.00 0.00 32.46 29.20 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 -3.13 2.95 0.56 5.56 1.02 -1.26 -2.64 119.74 122.81 1x5m s LYS 101 Ca 0.79 -1.26 0.46 0.00 0.02 0.00 0.00 55.97 55.97 1x5m s LYS 101 Cb -0.40 -4.07 1.66 0.00 -0.52 0.00 0.00 37.83 34.51 1x5m s LYS 101 CO 0.44 -0.94 1.63 -0.22 -0.92 0.00 0.00 175.35 175.33 1x5m h LYS 102 N 8.70 0.00 -2.22 1.68 3.64 -1.82 -3.31 116.57 123.23 1x5m h LYS 102 Ca -0.28 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.97 1x5m h LYS 102 Cb 1.11 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.64 1x5m h LYS 102 CO 0.83 0.00 -0.44 0.54 -2.27 0.00 0.00 179.45 178.11 1x5m s VAL 103 N -4.87 -0.61 1.31 2.00 0.11 -1.26 -5.00 120.40 112.08 1x5m s VAL 103 Ca -0.05 0.05 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 1x5m s VAL 103 Cb 0.25 -0.72 0.33 0.00 -1.53 0.00 0.00 36.38 34.70 1x5m s VAL 103 CO 0.85 -0.03 0.99 -1.61 -3.33 0.00 0.00 175.10 171.98 1x5m s GLU 104 N 2.56 -2.04 -1.24 1.54 8.01 -1.25 -4.09 118.70 122.20 1x5m s GLU 104 Ca 0.06 0.26 -0.00 0.00 0.01 0.00 0.00 54.97 55.30 1x5m s GLU 104 Cb -0.14 -1.47 0.00 0.00 -4.31 0.00 0.00 34.13 28.21 1x5m s GLU 104 CO -0.14 -4.32 0.89 0.09 0.01 0.00 0.00 175.26 171.79 1x5m n ASN 105 N -5.25 -1.73 -3.57 -0.19 3.02 -1.26 -4.84 115.26 101.43 1x5m n ASN 105 Ca 0.10 -0.69 -0.26 0.00 -0.03 0.00 0.00 54.58 53.70 1x5m n ASN 105 Cb 0.59 -4.74 -0.16 0.00 -0.61 0.00 0.00 39.78 34.86 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 -3.47 -0.11 0.42 3.41 2.01 -1.26 -4.98 115.64 111.67 1x5m s THR 106 Ca 0.00 -0.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1x5m s THR 106 Cb -0.00 -0.72 -0.08 0.00 0.01 0.00 0.00 72.50 71.71 1x5m s THR 106 CO 0.76 -0.42 1.17 -0.60 -0.69 0.00 0.00 174.62 174.84 1x5m s ARG 107 N 2.15 3.95 -0.45 4.92 3.52 -1.26 -4.50 118.95 127.27 1x5m s ARG 107 Ca 0.05 1.82 -0.05 0.00 -0.13 0.00 0.00 55.73 57.42 1x5m s ARG 107 Cb -0.16 -2.58 0.12 0.00 -1.56 0.00 0.00 34.95 30.77 1x5m s ARG 107 CO -0.19 -0.40 0.27 -1.58 -0.81 0.00 0.00 175.30 172.59 1x5m s TRP 108 N -1.46 3.53 -0.29 5.12 0.52 -1.26 -4.90 118.94 120.20 1x5m s TRP 108 Ca 0.59 -2.28 0.26 0.00 0.02 0.00 0.00 56.10 54.70 1x5m s TRP 108 Cb -0.30 -3.31 1.14 0.00 -1.15 0.00 0.00 33.47 29.85 1x5m s TRP 108 CO 0.37 -0.97 1.79 -0.44 0.02 0.00 0.00 176.95 177.72 1x5m h ASP 109 N 8.08 0.00 -4.99 2.95 3.32 -2.00 -3.44 116.42 120.34 1x5m h ASP 109 Ca -0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1x5m h ASP 109 Cb 1.05 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 1x5m h ASP 109 CO 0.75 0.00 0.20 -0.31 -1.72 0.00 0.00 179.24 178.16 1x5m s TYR 110 N -3.45 -0.63 0.09 4.55 2.02 -1.26 -4.94 117.35 113.73 1x5m s TYR 110 Ca 0.02 0.96 -0.19 0.00 -0.37 0.00 0.00 57.07 57.50 1x5m s TYR 110 Cb 0.09 0.44 -0.08 0.00 -0.40 0.00 0.00 41.96 42.01 1x5m s TYR 110 CO 0.40 -0.66 1.58 1.25 -1.57 0.00 0.00 175.55 176.55 1x5m h LEU 111 N 2.79 0.35 -8.60 -1.29 6.46 -1.95 -3.38 115.31 109.69 1x5m h LEU 111 Ca -0.28 -0.23 -0.42 0.00 -0.12 0.00 0.00 57.88 56.82 1x5m h LEU 111 Cb 1.17 -0.09 -0.19 0.00 -0.73 0.00 0.00 40.66 40.83 1x5m h LEU 111 CO 0.39 0.49 -0.76 0.42 -0.62 0.00 0.00 178.44 178.36 1x5m s THR 112 N -5.28 1.34 0.32 1.05 -4.23 -1.26 -2.46 115.64 105.12 1x5m s THR 112 Ca -0.14 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 1x5m s THR 112 Cb 0.07 -1.51 0.30 0.00 1.34 0.00 0.00 72.50 72.71 1x5m s THR 112 CO 0.73 -0.39 1.86 1.56 -0.54 0.00 0.00 174.62 177.84 1x5m h GLN 113 N 3.59 0.85 -0.63 3.99 4.20 -0.66 -2.35 115.11 124.11 1x5m h GLN 113 Ca -0.40 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.32 1x5m h GLN 113 Cb 1.20 -0.19 -0.09 0.00 0.30 0.00 0.00 27.48 28.69 1x5m h GLN 113 CO 0.49 0.56 -0.51 -0.24 -0.67 0.00 0.00 178.83 178.47 1x5m h VAL 114 N 0.88 0.00 -0.52 -0.54 3.04 -1.90 -0.18 116.25 117.03 1x5m h VAL 114 Ca 0.46 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 66.21 1x5m h VAL 114 Cb 0.54 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.72 1x5m h VAL 114 CO -0.22 0.00 -0.55 -0.08 -1.01 0.00 0.00 177.57 175.70 1x5m h GLU 115 N -0.17 -0.31 0.00 4.17 4.57 -1.80 -0.11 114.58 120.93 1x5m h GLU 115 Ca 0.10 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1x5m h GLU 115 Cb 0.44 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1x5m h GLU 115 CO -0.68 -0.20 0.00 1.17 -1.18 0.00 0.00 179.01 178.11 1x5m n LYS 116 N -5.36 0.00 -0.17 1.92 4.81 -0.22 0.18 118.16 119.33 1x5m n LYS 116 Ca -0.02 0.90 -0.04 0.00 -0.87 0.00 0.00 58.31 58.27 1x5m n LYS 116 Cb 0.33 -1.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.66 -0.18 -0.06 1.64 -0.58 -0.39 0.15 120.64 118.56 1x5m n GLU 117 Ca 0.00 1.15 -0.07 0.00 -0.42 0.00 0.00 57.16 57.82 1x5m n GLU 117 Cb 0.00 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.11 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 -0.22 -0.06 -0.10 0.00 1.79 0.36 -1.46 116.57 116.87 1x5m h LYS 119 Ca 0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1x5m h LYS 119 Cb 0.32 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1x5m h LYS 119 CO -0.30 -0.04 -0.32 0.93 -1.08 0.00 0.00 179.45 178.64 1x5m h GLU 120 N -0.06 -0.32 -6.23 3.15 4.39 0.22 -3.42 114.58 112.32 1x5m h GLU 120 Ca 0.10 0.02 -0.62 0.00 0.34 0.00 0.00 59.36 59.20 1x5m h GLU 120 Cb 0.31 0.07 0.14 0.00 -0.10 0.00 0.00 28.75 29.18 1x5m h GLU 120 CO -0.60 -0.21 -0.51 1.63 -1.16 0.00 0.00 179.01 178.16 1x5m n LYS 121 N -4.26 0.43 -1.99 2.33 4.76 0.33 -4.85 118.16 114.91 1x5m n LYS 121 Ca -0.03 0.15 -0.38 0.00 -2.87 0.00 0.00 58.31 55.18 1x5m n LYS 121 Cb 0.22 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x5m s SER 122 N -0.94 5.84 0.00 4.39 0.15 -1.26 -4.87 113.70 117.01 1x5m s SER 122 Ca 0.62 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.89 1x5m s SER 122 Cb -0.65 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.03 1x5m s SER 122 CO 0.59 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1x5m n GLY 123 N 0.62 -0.60 3.64 9.45 0.00 -1.26 -5.07 105.19 111.96 1x5m n GLY 123 Ca 0.07 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1x5m n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5m s PRO 124 N -0.82 3.99 -0.04 1.61 0.04 -1.26 -4.99 135.00 133.52 1x5m s PRO 124 Ca 0.00 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1x5m s PRO 124 Cb 0.00 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.70 1x5m s PRO 124 CO 0.00 -1.03 0.03 -1.12 0.04 0.00 0.00 177.00 174.92 1x5m s SER 125 N 2.73 0.82 0.01 6.66 0.01 -1.26 -5.11 113.70 117.56 1x5m s SER 125 Ca 0.57 0.01 -0.21 0.00 1.31 0.00 0.00 55.95 57.64 1x5m s SER 125 Cb -0.19 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 1x5m s SER 125 CO 0.21 -0.17 0.60 -0.55 0.41 0.00 0.00 173.24 173.74 1x5m s SER 126 N 1.60 7.00 0.00 2.44 0.15 -1.26 -5.30 113.70 118.33 1x5m s SER 126 Ca -0.02 1.19 0.24 0.00 0.70 0.00 0.00 55.95 58.06 1x5m s SER 126 Cb -0.13 -2.37 0.19 0.00 -1.71 0.00 0.00 66.02 62.00 1x5m s SER 126 CO -0.03 0.12 1.25 0.61 1.20 0.00 0.00 173.24 176.39