#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i53 s GLN 2 N 0.00 0.26 -0.05 0.00 0.74 -1.26 -5.06 119.66 114.29 1i53 s GLN 2 Ca 0.00 0.05 0.18 0.00 0.05 0.00 0.00 55.36 55.64 1i53 s GLN 2 Cb 0.00 0.12 0.35 0.00 1.10 0.00 0.00 33.01 34.58 1i53 s GLN 2 CO 0.00 -0.08 1.15 0.00 -0.55 0.00 0.00 175.29 175.81 1i53 s SER 4 N -2.11 -0.01 -0.12 0.00 1.04 -1.26 -1.31 113.70 109.93 1i53 s SER 4 Ca 0.29 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 1i53 s SER 4 Cb 0.31 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.87 1i53 s SER 4 CO -0.11 -0.81 0.33 0.54 0.98 0.00 0.00 173.24 174.16 1i53 s VAL 5 N -3.87 -0.00 -0.20 5.02 0.11 -0.53 -4.95 120.40 115.98 1i53 s VAL 5 Ca 0.07 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 1i53 s VAL 5 Cb 0.03 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1i53 s VAL 5 CO -0.08 0.01 0.17 -1.81 -3.33 0.00 0.00 175.10 170.06 1i53 s ASP 6 N 0.34 6.24 0.02 3.54 1.01 -1.26 -0.85 116.67 125.72 1i53 s ASP 6 Ca -0.01 0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.57 1i53 s ASP 6 Cb -0.03 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1i53 s ASP 6 CO -0.01 0.14 -0.16 -0.51 0.21 0.00 0.00 175.17 174.84 1i53 s ILE 7 N 0.53 1.27 0.00 0.77 -1.16 0.64 -4.94 121.20 118.31 1i53 s ILE 7 Ca 0.10 -0.94 0.07 0.00 -0.51 0.00 0.00 60.65 59.38 1i53 s ILE 7 Cb -0.12 -1.11 -0.02 0.00 0.61 0.00 0.00 42.46 41.82 1i53 s ILE 7 CO 0.00 0.16 -0.23 -1.10 -2.81 0.00 0.00 174.94 170.96 1i53 s GLN 8 N -0.90 1.79 -0.13 3.50 -0.21 -1.26 -1.14 119.66 121.31 1i53 s GLN 8 Ca 0.04 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.56 1i53 s GLN 8 Cb -0.07 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 32.15 1i53 s GLN 8 CO 0.01 0.48 -0.19 0.20 -2.12 0.00 0.00 175.29 173.67 1i53 s GLY 9 N -0.74 1.22 0.23 3.09 0.00 -0.55 -1.05 107.32 109.52 1i53 s GLY 9 Ca 0.09 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.90 1i53 s GLY 9 CO -0.00 0.09 0.21 1.16 0.00 0.00 0.00 173.10 174.57 1i53 n ASN 10 N 4.14 1.46 0.05 1.64 0.23 -0.55 -3.74 115.26 118.48 1i53 n ASN 10 Ca -0.19 -1.73 0.10 0.00 -0.53 0.00 0.00 54.58 52.23 1i53 n ASN 10 Cb 0.51 -0.06 0.41 0.00 -2.08 0.00 0.00 39.78 38.56 1i53 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1i53 n ASP 11 N -2.17 0.25 -1.82 0.53 8.00 -1.26 -2.70 116.55 117.39 1i53 n ASP 11 Ca 0.01 0.55 0.05 0.00 0.71 0.00 0.00 54.79 56.11 1i53 n ASP 11 Cb 0.25 -0.61 0.36 0.00 -0.02 0.00 0.00 41.12 41.10 1i53 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i53 n GLN 12 N -1.77 4.46 -3.70 -1.24 1.13 -1.26 -4.94 117.38 110.05 1i53 n GLN 12 Ca 0.04 -2.91 -0.23 0.00 -1.94 0.00 0.00 57.00 51.96 1i53 n GLN 12 Cb 0.23 -2.21 0.05 0.00 0.11 0.00 0.00 30.24 28.42 1i53 n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1i53 n MET 13 N 0.47 -5.80 -4.28 -1.09 0.00 -1.10 -5.00 117.12 100.32 1i53 n MET 13 Ca 0.28 0.68 -0.18 0.00 0.00 0.00 0.00 57.70 58.47 1i53 n MET 13 Cb 1.16 -5.48 -0.13 0.00 0.00 0.00 0.00 33.22 28.77 1i53 n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1i53 s GLN 14 N -6.11 0.80 0.29 2.12 -0.21 -1.26 -4.25 119.66 111.04 1i53 s GLN 14 Ca 0.27 -0.67 -0.00 0.00 0.02 0.00 0.00 55.36 54.98 1i53 s GLN 14 Cb -0.13 -0.76 -0.04 0.00 1.00 0.00 0.00 33.01 33.08 1i53 s GLN 14 CO 0.79 0.19 0.49 -0.06 -2.12 0.00 0.00 175.29 174.58 1i53 s PHE 15 N -0.83 3.49 -0.95 0.91 0.08 -1.26 -1.48 117.98 117.94 1i53 s PHE 15 Ca -0.00 0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.49 1i53 s PHE 15 Cb -0.07 -1.89 0.39 0.00 -0.57 0.00 0.00 43.02 40.87 1i53 s PHE 15 CO 0.01 0.23 1.16 0.27 -0.10 0.00 0.00 175.22 176.79 1i53 n ASN 16 N -1.28 3.04 -3.56 1.36 6.94 -0.21 -4.84 115.26 116.71 1i53 n ASN 16 Ca -0.05 -2.36 -0.16 0.00 -0.02 0.00 0.00 54.58 52.00 1i53 n ASN 16 Cb 0.55 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1i53 n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1i53 s THR 17 N -1.79 0.00 0.00 5.53 2.01 -1.26 -4.97 115.64 115.16 1i53 s THR 17 Ca 0.27 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1i53 s THR 17 Cb 0.19 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1i53 s THR 17 CO 0.10 0.00 0.98 0.59 -0.69 0.00 0.00 174.62 175.59 1i53 n ASN 18 N 1.31 1.95 -3.62 3.53 3.02 -1.26 -4.85 115.26 115.33 1i53 n ASN 18 Ca -0.16 -1.95 -0.07 0.00 -0.03 0.00 0.00 54.58 52.37 1i53 n ASN 18 Cb 0.57 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 1i53 n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i53 s ALA 19 N -0.95 -1.35 -0.08 5.41 0.00 -1.26 -1.85 121.76 121.68 1i53 s ALA 19 Ca 0.00 1.63 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1i53 s ALA 19 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1i53 s ALA 19 CO 0.00 -0.84 -0.15 0.42 0.00 0.00 0.00 175.76 175.19 1i53 s ILE 20 N 2.67 2.94 -0.06 0.00 1.01 0.11 -4.97 121.20 122.90 1i53 s ILE 20 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1i53 s ILE 20 Cb -0.12 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1i53 s ILE 20 CO -0.14 0.56 -0.13 -0.89 0.00 0.00 0.00 174.94 174.34 1i53 s THR 21 N -0.21 3.17 -0.18 2.92 2.01 -1.26 -1.18 115.64 120.91 1i53 s THR 21 Ca 0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1i53 s THR 21 Cb -0.13 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1i53 s THR 21 CO 0.03 0.59 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.70 1i53 s VAL 22 N -0.66 1.80 0.20 3.82 1.01 -0.03 -4.94 120.40 121.60 1i53 s VAL 22 Ca 0.10 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1i53 s VAL 22 Cb -0.11 -1.71 -0.11 0.00 0.00 0.00 0.00 36.38 34.45 1i53 s VAL 22 CO 0.01 0.40 1.60 -0.62 0.00 0.00 0.00 175.10 176.49 1i53 s ASP 23 N 1.37 6.51 0.64 3.32 -1.08 -1.26 -3.55 116.67 122.62 1i53 s ASP 23 Ca 0.03 2.73 0.41 0.00 -0.52 0.00 0.00 52.55 55.20 1i53 s ASP 23 Cb -0.14 -2.60 2.20 0.00 -1.46 0.00 0.00 42.92 40.92 1i53 s ASP 23 CO -0.11 -0.86 2.30 0.11 0.52 0.00 0.00 175.17 177.14 1i53 h LYS 24 N 6.40 0.00 0.00 4.34 1.57 -1.79 -1.08 116.57 126.01 1i53 h LYS 24 Ca -0.44 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 1i53 h LYS 24 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1i53 h LYS 24 CO 0.90 0.01 -0.40 0.77 -0.57 0.00 0.00 179.45 180.15 1i53 h SER 25 N 0.00 0.00 -2.65 0.86 0.02 -1.94 -3.44 113.55 106.39 1i53 h SER 25 Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1i53 h SER 25 Cb 0.08 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1i53 h SER 25 CO 0.00 0.40 1.03 0.00 -1.14 0.00 0.00 176.83 177.12 1i53 h LYS 27 N 8.78 0.31 -4.27 0.00 1.79 -1.88 -3.42 116.57 117.88 1i53 h LYS 27 Ca -0.42 -0.27 -0.15 0.00 -2.18 0.00 0.00 60.65 57.62 1i53 h LYS 27 Cb 1.20 0.06 -0.16 0.00 -1.58 0.00 0.00 32.23 31.75 1i53 h LYS 27 CO 0.93 0.93 -0.69 -0.65 -1.08 0.00 0.00 179.45 178.90 1i53 s GLN 28 N -3.50 0.58 -0.02 3.15 -0.21 -1.26 -2.09 119.66 116.32 1i53 s GLN 28 Ca -0.04 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.26 1i53 s GLN 28 Cb 0.11 0.10 -0.00 0.00 1.00 0.00 0.00 33.01 34.22 1i53 s GLN 28 CO 0.83 -0.08 -0.09 0.12 -2.12 0.00 0.00 175.29 173.96 1i53 s PHE 29 N -3.28 0.88 -0.09 0.91 5.36 -0.36 -4.85 117.98 116.55 1i53 s PHE 29 Ca 0.03 -0.20 0.04 0.00 -0.96 0.00 0.00 56.93 55.83 1i53 s PHE 29 Cb 0.03 -0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 42.10 1i53 s PHE 29 CO -0.07 -0.07 -0.22 0.99 -1.46 0.00 0.00 175.22 174.39 1i53 s THR 30 N 0.06 2.27 -0.18 0.12 2.01 -0.43 -1.32 115.64 118.17 1i53 s THR 30 Ca -0.01 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1i53 s THR 30 Cb -0.07 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1i53 s THR 30 CO 0.00 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 1i53 s VAL 31 N 0.18 3.49 -0.45 3.82 1.01 0.25 -1.45 120.40 127.26 1i53 s VAL 31 Ca -0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1i53 s VAL 31 Cb -0.16 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.78 1i53 s VAL 31 CO 0.07 0.46 0.30 0.20 0.00 0.00 0.00 175.10 176.13 1i53 s ASN 32 N 0.90 5.61 0.00 3.32 0.01 -0.03 -1.66 114.94 123.10 1i53 s ASN 32 Ca -0.01 -1.82 -0.13 0.00 -0.71 0.00 0.00 52.86 50.18 1i53 s ASN 32 Cb -0.15 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.48 1i53 s ASN 32 CO 0.01 -0.63 0.39 -0.22 -1.51 0.00 0.00 177.10 175.14 1i53 s LEU 33 N 1.34 4.45 0.05 0.60 2.96 -0.34 -0.26 118.68 127.49 1i53 s LEU 33 Ca 0.05 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1i53 s LEU 33 Cb -0.25 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1i53 s LEU 33 CO -0.01 0.31 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.38 1i53 s SER 34 N -1.18 0.44 -0.43 3.68 1.04 -0.29 -1.30 113.70 115.66 1i53 s SER 34 Ca 0.24 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1i53 s SER 34 Cb -0.16 0.20 0.12 0.00 0.10 0.00 0.00 66.02 66.29 1i53 s SER 34 CO 0.13 -0.59 0.19 -2.28 0.98 0.00 0.00 173.24 171.67 1i53 s HIS 35 N -3.74 2.76 -1.80 5.02 2.46 -0.69 -1.48 115.29 117.82 1i53 s HIS 35 Ca 0.05 -2.74 0.00 0.00 0.47 0.00 0.00 55.06 52.85 1i53 s HIS 35 Cb 0.07 -2.43 0.00 0.00 -0.13 0.00 0.00 32.58 30.09 1i53 s HIS 35 CO -0.09 -0.81 0.83 -0.35 -2.47 0.00 0.00 174.74 171.84 1i53 n PRO 36 N 3.70 0.92 -2.04 2.88 -0.04 -1.24 -0.75 135.00 138.43 1i53 n PRO 36 Ca 0.05 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1i53 n PRO 36 Cb 0.36 -1.09 0.17 0.00 -0.04 0.00 0.00 33.50 32.90 1i53 n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i53 n GLY 37 N 0.35 -0.75 0.12 0.55 0.00 -1.26 -4.88 105.19 99.31 1i53 n GLY 37 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.23 1i53 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i53 n ASN 38 N -3.50 0.89 -4.79 1.61 3.02 -1.26 -3.80 115.26 107.42 1i53 n ASN 38 Ca 0.16 -0.95 -0.36 0.00 -0.03 0.00 0.00 54.58 53.40 1i53 n ASN 38 Cb 0.55 0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 40.15 1i53 n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i53 s LEU 39 N -1.37 4.31 0.74 3.41 1.02 -1.26 -4.83 118.68 120.70 1i53 s LEU 39 Ca 0.05 1.69 -0.13 0.00 0.02 0.00 0.00 54.13 55.76 1i53 s LEU 39 Cb 0.05 -3.92 0.04 0.00 0.02 0.00 0.00 46.19 42.38 1i53 s LEU 39 CO 0.15 -0.06 1.12 -2.84 0.02 0.00 0.00 176.35 174.74 1i53 s PRO 40 N -2.11 2.28 0.47 1.29 0.02 -1.26 -1.88 135.00 133.81 1i53 s PRO 40 Ca 0.49 1.37 0.12 0.00 0.02 0.00 0.00 61.00 63.00 1i53 s PRO 40 Cb -0.17 -1.89 1.07 0.00 0.02 0.00 0.00 34.50 33.53 1i53 s PRO 40 CO 0.22 -1.65 2.10 -0.22 -0.33 0.00 0.00 177.00 177.13 1i53 h LYS 41 N -0.69 0.26 0.00 5.54 3.64 -1.85 -0.82 116.57 122.64 1i53 h LYS 41 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1i53 h LYS 41 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1i53 h LYS 41 CO 0.51 0.17 0.00 0.27 -2.27 0.00 0.00 179.45 178.13 1i53 n ASN 42 N -4.50 0.24 -0.00 4.20 2.04 -1.26 -1.93 115.26 114.05 1i53 n ASN 42 Ca -0.00 0.53 0.00 0.00 -0.44 0.00 0.00 54.58 54.67 1i53 n ASN 42 Cb 0.08 -0.59 -0.01 0.00 -2.53 0.00 0.00 39.78 36.72 1i53 n ASN 42 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 1i53 n VAL 43 N -1.74 0.04 -2.70 3.53 0.24 -0.85 -4.84 118.33 112.00 1i53 n VAL 43 Ca 0.05 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.34 62.26 1i53 n VAL 43 Cb 0.31 -0.19 0.08 0.00 -1.47 0.00 0.00 33.84 32.56 1i53 n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1i53 n MET 44 N -1.77 1.29 -2.69 7.34 1.56 -0.37 -5.02 117.12 117.46 1i53 n MET 44 Ca -0.01 -2.55 -0.36 0.00 -0.27 0.00 0.00 57.70 54.51 1i53 n MET 44 Cb 0.27 -0.69 -0.05 0.00 2.15 0.00 0.00 33.22 34.89 1i53 n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1i53 s GLY 45 N -2.35 2.71 0.04 -5.12 0.00 -0.81 -4.76 107.32 97.04 1i53 s GLY 45 Ca 0.23 0.58 0.03 0.00 0.00 0.00 0.00 44.72 45.57 1i53 s GLY 45 CO -0.04 1.00 -0.10 0.30 0.00 0.00 0.00 173.10 174.25 1i53 s HIS 46 N -1.72 0.91 0.16 1.90 3.76 -0.36 -4.63 115.29 115.31 1i53 s HIS 46 Ca 0.55 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1i53 s HIS 46 Cb -0.19 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 1i53 s HIS 46 CO 0.24 -0.01 0.06 0.54 -0.85 0.00 0.00 174.74 174.72 1i53 s ASN 47 N -1.26 0.50 -0.21 1.40 2.20 -1.26 0.23 114.94 116.54 1i53 s ASN 47 Ca -0.03 -1.25 0.02 0.00 -0.94 0.00 0.00 52.86 50.66 1i53 s ASN 47 Cb -0.08 0.27 0.03 0.00 -2.00 0.00 0.00 41.25 39.47 1i53 s ASN 47 CO 0.01 -0.72 -0.17 0.86 -2.94 0.00 0.00 177.10 174.14 1i53 s TRP 48 N -3.98 2.95 -0.04 1.54 -0.00 -1.26 -4.01 118.94 114.14 1i53 s TRP 48 Ca 0.28 -1.88 0.05 0.00 -0.00 0.00 0.00 56.10 54.55 1i53 s TRP 48 Cb 0.07 -1.93 -0.01 0.00 -0.00 0.00 0.00 33.47 31.61 1i53 s TRP 48 CO 0.05 -0.83 -0.20 0.08 -0.00 0.00 0.00 176.95 176.05 1i53 s VAL 49 N 1.23 1.60 -0.05 5.86 1.01 0.17 -1.40 120.40 128.82 1i53 s VAL 49 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1i53 s VAL 49 Cb -0.15 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1i53 s VAL 49 CO -0.10 0.46 -0.23 -0.22 0.00 0.00 0.00 175.10 175.01 1i53 s LEU 50 N -0.19 2.20 0.29 3.92 2.96 0.17 -1.12 118.68 126.91 1i53 s LEU 50 Ca 0.01 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.27 1i53 s LEU 50 Cb -0.10 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.23 1i53 s LEU 50 CO 0.01 0.27 0.82 -0.94 -1.32 0.00 0.00 176.35 175.19 1i53 s SER 51 N -0.30 -0.11 0.69 3.68 1.04 -0.98 -0.51 113.70 117.20 1i53 s SER 51 Ca 0.01 -0.80 -0.13 0.00 0.48 0.00 0.00 55.95 55.51 1i53 s SER 51 Cb -0.13 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1i53 s SER 51 CO 0.02 -1.38 1.09 0.42 0.98 0.00 0.00 173.24 174.38 1i53 s THR 52 N -2.98 3.40 0.38 2.02 -4.23 -1.26 -1.27 115.64 111.70 1i53 s THR 52 Ca 0.14 0.57 0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1i53 s THR 52 Cb -0.05 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.97 1i53 s THR 52 CO 0.08 -0.48 2.01 0.00 -0.54 0.00 0.00 174.62 175.68 1i53 h ALA 53 N -0.36 1.67 0.00 3.99 0.00 -1.33 -2.04 119.26 121.20 1i53 h ALA 53 Ca -0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1i53 h ALA 53 Cb 1.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1i53 h ALA 53 CO 0.54 0.27 -0.38 0.00 0.00 0.00 0.00 179.25 179.68 1i53 h ALA 54 N 1.65 1.14 0.00 0.00 0.00 -1.91 -3.03 119.26 117.11 1i53 h ALA 54 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1i53 h ALA 54 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i53 h ALA 54 CO -0.06 0.47 -0.61 -0.25 0.00 0.00 0.00 179.25 178.80 1i53 n ASP 55 N -3.75 0.59 0.06 0.00 8.00 -0.81 -4.52 116.55 116.11 1i53 n ASP 55 Ca -0.01 -0.08 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 1i53 n ASP 55 Cb 0.46 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.76 1i53 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1i53 h MET 56 N 0.00 -0.55 -0.79 -1.24 4.05 -1.32 -1.75 114.93 113.32 1i53 h MET 56 Ca 0.00 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.61 1i53 h MET 56 Cb 0.63 0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 31.46 1i53 h MET 56 CO 0.00 -0.37 0.34 0.37 0.23 0.00 0.00 176.91 177.49 1i53 h GLN 57 N -0.57 0.47 -0.35 0.39 5.75 -1.79 0.54 115.11 119.54 1i53 h GLN 57 Ca 0.05 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1i53 h GLN 57 Cb 0.65 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1i53 h GLN 57 CO -0.32 0.31 0.08 0.78 -2.65 0.00 0.00 178.83 177.03 1i53 h GLY 58 N 0.48 0.61 1.01 2.39 0.00 -1.75 0.45 103.07 106.25 1i53 h GLY 58 Ca 0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1i53 h GLY 58 CO -0.41 0.36 0.34 -2.08 0.00 0.00 0.00 176.54 174.74 1i53 h VAL 59 N 0.41 1.23 -0.12 4.60 2.07 -0.49 -0.75 116.25 123.20 1i53 h VAL 59 Ca 0.11 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1i53 h VAL 59 Cb 0.31 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1i53 h VAL 59 CO 0.00 0.26 0.02 0.58 0.02 0.00 0.00 177.57 178.46 1i53 h VAL 60 N 0.95 1.21 0.06 2.57 2.07 -0.71 0.96 116.25 123.38 1i53 h VAL 60 Ca 0.24 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1i53 h VAL 60 Cb 0.10 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1i53 h VAL 60 CO -0.03 0.20 -0.03 0.74 0.02 0.00 0.00 177.57 178.46 1i53 h THR 61 N -0.02 1.02 -0.04 2.57 2.02 -0.77 -1.07 112.91 116.62 1i53 h THR 61 Ca 0.04 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1i53 h THR 61 Cb 0.28 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1i53 h THR 61 CO 0.00 0.07 -0.33 0.44 0.37 0.00 0.00 175.52 176.07 1i53 h ASP 62 N -0.21 0.07 -0.19 4.18 3.32 -1.17 -2.58 116.42 119.84 1i53 h ASP 62 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1i53 h ASP 62 Cb 0.18 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1i53 h ASP 62 CO 0.01 0.41 0.07 1.23 -1.72 0.00 0.00 179.24 179.24 1i53 h GLY 63 N 1.05 0.32 1.12 2.75 0.00 -0.49 -1.31 103.07 106.50 1i53 h GLY 63 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1i53 h GLY 63 CO 0.05 0.17 0.58 1.98 0.00 0.00 0.00 176.54 179.32 1i53 h MET 64 N 0.14 1.18 -0.06 4.80 1.85 -0.97 -1.76 114.93 120.11 1i53 h MET 64 Ca 0.06 -0.08 -0.08 0.00 -0.61 0.00 0.00 59.70 59.00 1i53 h MET 64 Cb 0.21 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 31.97 1i53 h MET 64 CO -0.00 0.79 -0.33 0.00 -0.40 0.00 0.00 176.91 176.97 1i53 h ALA 65 N 1.43 1.34 0.00 0.39 0.00 -1.18 -2.73 119.26 118.52 1i53 h ALA 65 Ca 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1i53 h ALA 65 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1i53 h ALA 65 CO -0.07 0.47 -0.19 0.77 0.00 0.00 0.00 179.25 180.23 1i53 h SER 66 N 0.10 0.00 -4.15 0.00 0.02 -0.33 -3.49 113.55 105.70 1i53 h SER 66 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1i53 h SER 66 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1i53 h SER 66 CO 0.05 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1i53 n GLY 67 N -0.03 -1.45 0.30 -3.77 0.00 -1.03 -4.22 105.19 95.00 1i53 n GLY 67 Ca -0.00 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1i53 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i53 h LEU 68 N 0.00 0.70 -2.34 0.99 5.85 -1.90 -0.02 115.31 118.59 1i53 h LEU 68 Ca 0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1i53 h LEU 68 Cb 0.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1i53 h LEU 68 CO 0.00 0.41 0.12 -2.24 -0.34 0.00 0.00 178.44 176.39 1i53 h ASP 69 N 0.82 0.00 -0.42 1.25 2.03 -2.01 0.27 116.42 118.36 1i53 h ASP 69 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1i53 h ASP 69 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1i53 h ASP 69 CO -0.23 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.27 1i53 n LYS 70 N -3.78 3.81 -2.60 4.15 4.76 -0.79 -4.93 118.16 118.78 1i53 n LYS 70 Ca -0.00 -2.96 -0.20 0.00 -2.87 0.00 0.00 58.31 52.28 1i53 n LYS 70 Cb 0.23 -2.01 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1i53 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1i53 n ASP 71 N 0.10 -5.45 -3.83 4.39 10.43 0.08 -2.06 116.55 120.22 1i53 n ASP 71 Ca 0.24 -0.06 -0.28 0.00 2.57 0.00 0.00 54.79 57.27 1i53 n ASP 71 Cb 1.01 -4.51 0.04 0.00 1.84 0.00 0.00 41.12 39.49 1i53 n ASP 71 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1i53 n TYR 72 N -4.00 -2.34 -3.77 1.24 4.01 -0.09 -4.65 117.16 107.56 1i53 n TYR 72 Ca -0.18 0.92 -0.14 0.00 -0.16 0.00 0.00 57.90 58.33 1i53 n TYR 72 Cb 0.65 -4.22 -0.15 0.00 -0.31 0.00 0.00 39.34 35.31 1i53 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1i53 s LEU 73 N -7.20 1.04 0.21 7.72 2.01 -0.87 -4.23 118.68 117.36 1i53 s LEU 73 Ca 0.55 0.12 -0.31 0.00 0.01 0.00 0.00 54.13 54.51 1i53 s LEU 73 Cb -0.27 0.08 -0.10 0.00 0.01 0.00 0.00 46.19 45.91 1i53 s LEU 73 CO 0.81 -0.12 1.53 -0.75 1.01 0.00 0.00 176.35 178.83 1i53 s LYS 74 N 1.00 4.22 0.26 1.70 2.20 -1.26 -4.85 119.74 123.01 1i53 s LYS 74 Ca -0.08 2.37 -0.31 0.00 -0.36 0.00 0.00 55.97 57.59 1i53 s LYS 74 Cb -0.11 -3.12 -0.12 0.00 -1.51 0.00 0.00 37.83 32.96 1i53 s LYS 74 CO -0.04 -0.55 1.58 -2.30 -0.36 0.00 0.00 175.35 173.68 1i53 n PRO 75 N 3.27 2.54 -3.95 4.03 -0.02 -1.26 -3.12 135.00 136.48 1i53 n PRO 75 Ca 0.11 0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 62.19 1i53 n PRO 75 Cb 0.39 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 1i53 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1i53 n ASP 76 N 2.56 -1.81 -4.61 2.55 9.92 -1.26 -4.88 116.55 119.02 1i53 n ASP 76 Ca 0.11 -1.08 -0.43 0.00 -0.53 0.00 0.00 54.79 52.86 1i53 n ASP 76 Cb 0.35 -2.77 -0.02 0.00 -0.64 0.00 0.00 41.12 38.04 1i53 n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1i53 s ASP 77 N -4.06 6.51 0.40 -2.24 -1.08 -1.18 -4.88 116.67 110.15 1i53 s ASP 77 Ca 0.18 0.87 0.28 0.00 -0.52 0.00 0.00 52.55 53.35 1i53 s ASP 77 Cb -0.08 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.26 1i53 s ASP 77 CO 0.91 -1.28 1.86 0.77 0.52 0.00 0.00 175.17 177.94 1i53 h SER 78 N 9.94 0.00 1.74 -0.34 4.64 -1.93 -1.55 113.55 126.05 1i53 h SER 78 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1i53 h SER 78 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1i53 h SER 78 CO 1.08 0.00 -0.26 0.03 -0.87 0.00 0.00 176.83 176.81 1i53 h ARG 79 N 0.00 0.00 -6.14 4.77 3.08 -1.97 -3.44 114.38 110.68 1i53 h ARG 79 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1i53 h ARG 79 Cb 0.13 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 1i53 h ARG 79 CO 0.00 0.15 0.71 0.08 -1.07 0.00 0.00 179.97 179.83 1i53 s VAL 80 N -3.15 4.59 0.07 2.04 1.01 -0.58 -4.46 120.40 119.92 1i53 s VAL 80 Ca 0.05 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 1i53 s VAL 80 Cb 0.06 -4.34 -0.27 0.00 0.00 0.00 0.00 36.38 31.83 1i53 s VAL 80 CO 0.70 -0.42 1.10 0.40 0.00 0.00 0.00 175.10 176.89 1i53 h ILE 81 N 5.70 1.46 -2.05 2.22 2.04 -1.10 -3.48 117.51 122.30 1i53 h ILE 81 Ca -0.22 -3.07 -0.06 0.00 1.00 0.00 0.00 64.86 62.52 1i53 h ILE 81 Cb 1.07 2.89 -0.19 0.00 -0.74 0.00 0.00 36.82 39.85 1i53 h ILE 81 CO 0.99 0.88 0.16 0.00 0.00 0.00 0.00 178.15 180.18 1i53 s ALA 82 N -2.66 -1.73 -0.18 1.87 0.00 -1.22 -4.95 121.76 112.90 1i53 s ALA 82 Ca -0.04 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 1i53 s ALA 82 Cb 0.07 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1i53 s ALA 82 CO 0.87 -0.36 0.59 1.14 0.00 0.00 0.00 175.76 177.99 1i53 s GLN 83 N -0.92 0.74 0.47 0.00 -2.07 -1.26 -0.66 119.66 115.97 1i53 s GLN 83 Ca -0.09 0.67 0.08 0.00 -1.82 0.00 0.00 55.36 54.20 1i53 s GLN 83 Cb -0.01 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1i53 s GLN 83 CO 0.08 -0.13 0.63 0.95 -1.32 0.00 0.00 175.29 175.50 1i53 s THR 84 N -0.03 2.67 0.76 3.63 -4.23 -0.49 -4.84 115.64 113.11 1i53 s THR 84 Ca -0.03 -1.03 -0.09 0.00 -1.18 0.00 0.00 61.69 59.36 1i53 s THR 84 Cb -0.04 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.17 1i53 s THR 84 CO 0.02 0.00 1.10 -1.59 -0.54 0.00 0.00 174.62 173.61 1i53 s LYS 85 N -4.44 2.12 -0.08 3.99 -2.85 -1.26 -4.54 119.74 112.68 1i53 s LYS 85 Ca 0.56 -0.04 -0.28 0.00 -1.00 0.00 0.00 55.97 55.21 1i53 s LYS 85 Cb -0.08 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.61 1i53 s LYS 85 CO 0.34 -1.40 0.94 -1.17 0.10 0.00 0.00 175.35 174.16 1i53 s LEU 86 N -5.41 4.27 0.23 2.77 2.96 -1.26 -4.41 118.68 117.83 1i53 s LEU 86 Ca 0.61 1.47 0.11 0.00 -0.22 0.00 0.00 54.13 56.10 1i53 s LEU 86 Cb -0.11 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1i53 s LEU 86 CO 0.47 -0.35 -0.21 0.27 -1.32 0.00 0.00 176.35 175.20 1i53 s ILE 87 N 1.64 2.35 0.27 6.68 -4.36 0.14 -4.89 121.20 123.02 1i53 s ILE 87 Ca 0.46 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1i53 s ILE 87 Cb -0.19 -2.18 -0.00 0.00 1.25 0.00 0.00 42.46 41.34 1i53 s ILE 87 CO 0.20 -0.27 0.01 0.61 0.24 0.00 0.00 174.94 175.72 1i53 n GLY 88 N -0.15 3.82 3.02 6.27 0.00 -1.26 -1.23 105.19 115.67 1i53 n GLY 88 Ca -0.09 -2.26 -0.53 0.00 0.00 0.00 0.00 46.02 43.14 1i53 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i53 n SER 89 N -1.26 0.53 0.00 1.61 2.88 -0.79 -1.45 113.62 115.15 1i53 n SER 89 Ca -0.10 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1i53 n SER 89 Cb 0.35 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1i53 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i53 n GLY 90 N 2.36 1.23 3.95 0.46 0.00 0.07 -5.00 105.19 108.25 1i53 n GLY 90 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1i53 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i53 s GLU 91 N -0.11 3.00 0.06 1.61 2.02 -0.53 -4.90 118.70 119.86 1i53 s GLU 91 Ca 0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 1i53 s GLU 91 Cb 0.00 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 1i53 s GLU 91 CO 0.00 -0.36 0.17 0.15 0.02 0.00 0.00 175.26 175.24 1i53 s LYS 92 N -4.62 0.74 -0.25 1.61 1.02 -1.26 -1.70 119.74 115.28 1i53 s LYS 92 Ca 0.50 -0.83 -0.26 0.00 0.02 0.00 0.00 55.97 55.40 1i53 s LYS 92 Cb -0.10 0.30 0.09 0.00 -0.52 0.00 0.00 37.83 37.60 1i53 s LYS 92 CO 0.39 -0.22 0.85 0.34 -0.92 0.00 0.00 175.35 175.79 1i53 s ASP 93 N -2.49 -0.61 0.18 2.83 2.15 -0.42 -5.01 116.67 113.30 1i53 s ASP 93 Ca 0.00 1.12 0.11 0.00 0.43 0.00 0.00 52.55 54.21 1i53 s ASP 93 Cb 0.02 1.11 -0.04 0.00 -0.30 0.00 0.00 42.92 43.71 1i53 s ASP 93 CO -0.08 -0.25 -0.23 -0.44 -0.17 0.00 0.00 175.17 174.00 1i53 s SER 94 N 0.11 3.50 -0.06 -0.34 0.01 -1.26 -1.20 113.70 114.46 1i53 s SER 94 Ca 0.00 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.42 1i53 s SER 94 Cb -0.04 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1i53 s SER 94 CO -0.01 0.13 0.14 0.54 0.41 0.00 0.00 173.24 174.45 1i53 s VAL 95 N -1.53 -0.02 -0.02 3.43 0.11 -0.66 -4.91 120.40 116.79 1i53 s VAL 95 Ca 0.20 0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 1i53 s VAL 95 Cb -0.09 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1i53 s VAL 95 CO 0.09 0.04 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.76 1i53 s THR 96 N 0.61 1.97 0.08 5.04 2.01 -1.26 -0.58 115.64 123.51 1i53 s THR 96 Ca -0.04 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 1i53 s THR 96 Cb -0.06 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1i53 s THR 96 CO -0.03 0.56 -0.02 0.72 -0.69 0.00 0.00 174.62 175.16 1i53 s PHE 97 N -0.56 0.71 -0.03 4.92 -0.71 -0.44 -4.97 117.98 116.90 1i53 s PHE 97 Ca 0.09 -1.07 -0.30 0.00 -1.04 0.00 0.00 56.93 54.61 1i53 s PHE 97 Cb -0.10 -0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 1i53 s PHE 97 CO -0.01 -0.36 1.04 -0.51 -1.34 0.00 0.00 175.22 174.04 1i53 s ASP 98 N -2.99 7.26 0.23 1.98 -0.00 -1.26 -1.22 116.67 120.68 1i53 s ASP 98 Ca 0.13 1.68 0.21 0.00 -0.00 0.00 0.00 52.55 54.56 1i53 s ASP 98 Cb 0.07 -2.57 0.94 0.00 -0.00 0.00 0.00 42.92 41.36 1i53 s ASP 98 CO -0.06 -0.38 1.64 0.52 -0.00 0.00 0.00 175.17 176.89 1i53 n VAL 99 N 4.18 0.96 0.26 -1.27 0.31 -0.89 -1.96 118.33 119.92 1i53 n VAL 99 Ca 0.08 0.37 0.13 0.00 -0.01 0.00 0.00 64.34 64.91 1i53 n VAL 99 Cb 0.49 -1.30 0.69 0.00 -0.91 0.00 0.00 33.84 32.82 1i53 n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1i53 h SER 100 N 0.00 0.00 0.61 4.52 4.64 -1.89 -2.22 113.55 119.22 1i53 h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i53 h SER 100 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1i53 h SER 100 CO 0.00 0.12 0.00 0.11 -0.87 0.00 0.00 176.83 176.19 1i53 h LYS 101 N 0.00 0.00 -5.07 4.77 1.57 -1.80 -3.41 116.57 112.63 1i53 h LYS 101 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1i53 h LYS 101 Cb 0.45 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.60 1i53 h LYS 101 CO 0.02 0.00 -0.52 -0.51 -0.57 0.00 0.00 179.45 177.87 1i53 s LEU 102 N -4.74 4.05 -0.13 2.94 1.43 -0.84 -5.08 118.68 116.32 1i53 s LEU 102 Ca 0.02 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1i53 s LEU 102 Cb 0.09 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1i53 s LEU 102 CO 0.38 0.06 -0.09 -1.59 0.23 0.00 0.00 176.35 175.33 1i53 s LYS 103 N 1.11 3.35 0.81 1.70 -2.85 -1.26 -5.04 119.74 117.56 1i53 s LYS 103 Ca 0.07 -0.62 -0.13 0.00 -1.00 0.00 0.00 55.97 54.29 1i53 s LYS 103 Cb -0.14 -2.70 0.08 0.00 -2.06 0.00 0.00 37.83 33.01 1i53 s LYS 103 CO 0.05 0.30 1.20 -2.00 0.10 0.00 0.00 175.35 175.00 1i53 s GLU 104 N 0.15 1.63 0.00 1.78 2.12 -1.26 -2.45 118.70 120.67 1i53 s GLU 104 Ca -0.05 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.01 1i53 s GLU 104 Cb -0.14 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.47 1i53 s GLU 104 CO 0.04 -2.21 0.00 0.41 -0.54 0.00 0.00 175.26 172.96 1i53 n GLY 105 N 0.43 3.25 3.87 -1.50 0.00 -1.26 -5.02 105.19 104.95 1i53 n GLY 105 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1i53 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i53 s GLU 106 N -0.53 3.79 -0.22 1.61 2.56 -1.03 -5.07 118.70 119.82 1i53 s GLU 106 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 54.97 55.02 1i53 s GLU 106 Cb 0.00 -2.93 -0.03 0.00 2.00 0.00 0.00 34.13 33.16 1i53 s GLU 106 CO 0.00 0.51 0.47 -1.01 -0.56 0.00 0.00 175.26 174.67 1i53 s HIS 107 N -1.48 3.34 -0.01 5.30 3.76 -1.26 -4.94 115.29 119.99 1i53 s HIS 107 Ca 0.36 0.66 0.06 0.00 -0.15 0.00 0.00 55.06 56.00 1i53 s HIS 107 Cb -0.14 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 30.90 1i53 s HIS 107 CO 0.19 -0.12 -0.20 0.71 -0.85 0.00 0.00 174.74 174.48 1i53 s TYR 108 N 1.69 2.53 0.03 1.40 2.02 -1.26 -0.90 117.35 122.87 1i53 s TYR 108 Ca 0.21 -0.28 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1i53 s TYR 108 Cb -0.15 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1i53 s TYR 108 CO 0.09 0.13 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.45 1i53 s MET 109 N -0.88 0.75 0.17 -0.62 -1.94 -0.40 -1.74 119.30 114.65 1i53 s MET 109 Ca 0.12 -0.64 0.07 0.00 -1.71 0.00 0.00 55.69 53.53 1i53 s MET 109 Cb -0.10 -0.70 -0.04 0.00 2.01 0.00 0.00 34.83 35.99 1i53 s MET 109 CO 0.01 0.17 -0.02 -0.59 -0.01 0.00 0.00 175.02 174.59 1i53 s PHE 110 N -0.81 2.82 0.06 -0.03 -0.71 -0.00 -2.33 117.98 116.97 1i53 s PHE 110 Ca -0.01 -0.15 -0.28 0.00 -1.04 0.00 0.00 56.93 55.46 1i53 s PHE 110 Cb -0.07 -1.37 0.09 0.00 -1.21 0.00 0.00 43.02 40.46 1i53 s PHE 110 CO 0.01 0.51 1.09 -0.59 -1.34 0.00 0.00 175.22 174.90 1i53 s PHE 111 N -1.70 -0.11 -0.12 3.49 -0.71 -0.28 -1.28 117.98 117.27 1i53 s PHE 111 Ca 0.27 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 56.02 1i53 s PHE 111 Cb -0.09 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1i53 s PHE 111 CO 0.18 -0.57 0.05 0.00 -1.34 0.00 0.00 175.22 173.54 1i53 n THR 113 N 2.53 0.74 -2.02 0.00 -2.24 -1.26 -3.23 114.28 108.80 1i53 n THR 113 Ca -0.18 -0.83 -0.41 0.00 -2.27 0.00 0.00 64.05 60.36 1i53 n THR 113 Cb 0.54 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1i53 n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1i53 s PHE 114 N -1.26 2.98 -0.25 4.78 2.19 -1.26 -4.46 117.98 120.69 1i53 s PHE 114 Ca 0.43 1.17 -0.43 0.00 0.33 0.00 0.00 56.93 58.42 1i53 s PHE 114 Cb 0.23 -3.80 -0.19 0.00 -1.31 0.00 0.00 43.02 37.95 1i53 s PHE 114 CO 0.31 -2.45 1.41 -2.30 1.83 0.00 0.00 175.22 174.02 1i53 n PRO 115 N 1.62 0.25 0.00 10.12 -0.02 -1.26 -1.50 135.00 144.21 1i53 n PRO 115 Ca 0.04 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1i53 n PRO 115 Cb 0.41 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1i53 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i53 n GLY 116 N 3.04 3.00 0.31 -1.23 0.00 -1.26 -4.88 105.19 104.17 1i53 n GLY 116 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 1i53 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1i53 h HIS 117 N 0.00 0.84 0.00 1.61 3.86 -1.54 -3.06 115.15 116.86 1i53 h HIS 117 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1i53 h HIS 117 Cb 0.00 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1i53 h HIS 117 CO 0.00 0.66 0.09 0.66 0.86 0.00 0.00 177.93 180.20 1i53 h SER 118 N 0.82 0.00 -0.90 2.45 4.64 -1.73 0.29 113.55 119.12 1i53 h SER 118 Ca 0.19 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.57 1i53 h SER 118 Cb 0.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 1i53 h SER 118 CO -0.02 0.00 0.59 0.00 -0.87 0.00 0.00 176.83 176.53 1i53 h ALA 119 N 1.81 1.49 0.00 5.18 0.00 -1.88 -3.32 119.26 122.54 1i53 h ALA 119 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1i53 h ALA 119 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1i53 h ALA 119 CO 0.00 0.39 -1.65 1.28 0.00 0.00 0.00 179.25 179.27 1i53 n LEU 120 N -4.47 2.93 -4.50 0.00 4.32 -0.58 -4.84 117.00 109.85 1i53 n LEU 120 Ca 0.13 -0.06 -0.43 0.00 -0.02 0.00 0.00 56.01 55.63 1i53 n LEU 120 Cb 0.17 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1i53 n LEU 120 CO 0.33 0.68 1.74 0.23 -1.22 0.00 0.00 177.39 179.16 1i53 n MET 121 N -2.82 3.28 -3.58 3.23 2.81 0.92 -4.80 117.12 116.15 1i53 n MET 121 Ca -0.20 -3.52 -0.13 0.00 -1.81 0.00 0.00 57.70 52.04 1i53 n MET 121 Cb 0.72 -3.28 -0.05 0.00 -0.71 0.00 0.00 33.22 29.90 1i53 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1i53 s LYS 122 N 2.96 1.06 0.17 0.03 -2.85 -1.26 -2.39 119.74 117.46 1i53 s LYS 122 Ca 0.49 -0.39 -0.22 0.00 -1.00 0.00 0.00 55.97 54.84 1i53 s LYS 122 Cb 0.01 0.48 0.08 0.00 -2.06 0.00 0.00 37.83 36.34 1i53 s LYS 122 CO 0.04 -0.40 1.05 0.20 0.10 0.00 0.00 175.35 176.35 1i53 s GLY 123 N -2.26 0.11 -0.01 0.59 0.00 -0.40 -4.74 107.32 100.60 1i53 s GLY 123 Ca -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 1i53 s GLY 123 CO -0.06 2.73 0.09 -0.51 0.00 0.00 0.00 173.10 175.36 1i53 s THR 124 N -2.13 4.82 -0.21 0.90 -4.23 -0.77 -0.82 115.64 113.20 1i53 s THR 124 Ca 0.23 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1i53 s THR 124 Cb -0.03 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.66 1i53 s THR 124 CO 0.05 0.37 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.20 1i53 s LEU 125 N -1.68 2.34 0.21 4.79 0.20 -0.71 0.04 118.68 123.87 1i53 s LEU 125 Ca 0.22 -0.96 0.11 0.00 0.69 0.00 0.00 54.13 54.20 1i53 s LEU 125 Cb -0.12 -1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 44.39 1i53 s LEU 125 CO 0.13 -0.17 -0.18 0.42 -0.29 0.00 0.00 176.35 176.26 1i53 s THR 126 N 1.40 2.64 -0.67 3.68 -4.23 -0.32 -4.01 115.64 114.13 1i53 s THR 126 Ca -0.02 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1i53 s THR 126 Cb -0.17 -2.31 0.42 0.00 1.34 0.00 0.00 72.50 71.78 1i53 s THR 126 CO -0.08 -0.19 1.90 -0.11 -0.54 0.00 0.00 174.62 175.61 1i53 n LEU 127 N -0.04 7.23 -0.24 4.79 7.94 -1.26 -0.85 117.00 134.57 1i53 n LEU 127 Ca -0.10 -4.54 0.03 0.00 -1.11 0.00 0.00 56.01 50.28 1i53 n LEU 127 Cb 0.57 -0.92 0.03 0.00 0.53 0.00 0.00 43.42 43.63 1i53 n LEU 127 CO 0.33 1.66 0.35 1.17 -1.11 0.00 0.00 177.39 179.79