#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 n LYS 2 N 0.00 0.00 0.10 3.44 0.00 -1.26 -4.71 118.16 115.72 2k45 n LYS 2 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2k45 n LYS 2 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 35.03 35.31 2k45 n LYS 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2k45 h LEU 3 N 0.00 0.00 0.00 -5.58 3.38 -1.18 -3.44 115.31 108.49 2k45 h LEU 3 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k45 h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k45 h LEU 3 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2k45 n GLY 4 N 1.30 -1.40 3.25 0.83 0.00 -1.24 -3.33 105.19 104.60 2k45 n GLY 4 Ca 0.04 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 1.27 -0.31 1.61 -0.14 -1.24 -1.31 119.74 119.62 2k45 s LYS 5 Ca 0.00 -1.67 -0.01 0.00 -1.36 0.00 0.00 55.97 52.92 2k45 s LYS 5 Cb 0.00 0.01 0.12 0.00 -1.68 0.00 0.00 37.83 36.29 2k45 s LYS 5 CO 0.00 -0.33 0.22 -1.17 -0.76 0.00 0.00 175.35 173.31 2k45 s LEU 6 N -3.22 0.31 -0.30 3.17 2.96 0.45 -1.00 118.68 121.06 2k45 s LEU 6 Ca 0.37 -1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 2k45 s LEU 6 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 2k45 s LEU 6 CO 0.12 -0.38 0.18 -1.10 -1.32 0.00 0.00 176.35 173.84 2k45 s GLN 7 N 1.93 3.67 0.00 1.98 1.11 -1.04 -1.84 119.66 125.47 2k45 s GLN 7 Ca 0.12 -0.51 0.00 0.00 0.01 0.00 0.00 55.36 54.98 2k45 s GLN 7 Cb -0.16 -3.63 0.00 0.00 -1.01 0.00 0.00 33.01 28.20 2k45 s GLN 7 CO -0.26 -0.30 0.00 0.98 0.01 0.00 0.00 175.29 175.73 2k45 n TYR 8 N 5.04 -0.25 -3.35 0.91 9.36 -1.15 -1.95 117.16 125.76 2k45 n TYR 8 Ca -0.14 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.88 2k45 n TYR 8 Cb 0.51 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.13 2k45 n TYR 8 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2k45 s SER 9 N 1.17 1.39 -0.21 2.98 1.04 -1.24 -1.53 113.70 117.30 2k45 s SER 9 Ca 0.00 -1.92 -0.06 0.00 0.48 0.00 0.00 55.95 54.45 2k45 s SER 9 Cb 0.00 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2k45 s SER 9 CO 0.00 -0.24 0.02 -1.48 0.98 0.00 0.00 173.24 172.52 2k45 s LEU 10 N 1.13 3.35 0.13 2.42 0.05 0.70 -4.78 118.68 121.68 2k45 s LEU 10 Ca 0.20 -0.17 -0.07 0.00 0.05 0.00 0.00 54.13 54.14 2k45 s LEU 10 Cb -0.14 -1.86 -0.01 0.00 -2.05 0.00 0.00 46.19 42.13 2k45 s LEU 10 CO -0.04 0.06 0.20 1.51 -0.55 0.00 0.00 176.35 177.53 2k45 s ASP 11 N 1.04 0.13 0.15 1.48 -4.77 -0.45 -2.18 116.67 112.08 2k45 s ASP 11 Ca 0.03 -0.89 -0.16 0.00 -3.30 0.00 0.00 52.55 48.23 2k45 s ASP 11 Cb -0.14 0.37 0.03 0.00 -1.09 0.00 0.00 42.92 42.09 2k45 s ASP 11 CO 0.02 -0.81 0.44 -0.47 0.70 0.00 0.00 175.17 175.05 2k45 s TYR 12 N -3.95 -0.14 -0.38 2.11 5.04 -1.26 -3.08 117.35 115.69 2k45 s TYR 12 Ca 0.15 -0.19 -0.27 0.00 -2.44 0.00 0.00 57.07 54.32 2k45 s TYR 12 Cb 0.05 0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.67 2k45 s TYR 12 CO -0.03 -0.78 1.00 0.34 -1.34 0.00 0.00 175.55 174.74 2k45 s ASP 13 N -2.84 6.73 0.44 4.32 -1.08 -1.15 -4.70 116.67 118.40 2k45 s ASP 13 Ca 0.06 0.67 0.25 0.00 -0.52 0.00 0.00 52.55 53.02 2k45 s ASP 13 Cb 0.01 -2.50 0.59 0.00 -1.46 0.00 0.00 42.92 39.56 2k45 s ASP 13 CO -0.08 -0.94 1.70 2.19 0.52 0.00 0.00 175.17 178.56 2k45 h PHE 14 N 8.51 0.00 -0.31 -5.34 -0.00 -1.85 -0.64 116.94 117.32 2k45 h PHE 14 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.75 2k45 h PHE 14 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 2k45 h PHE 14 CO 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 178.31 179.17 2k45 n GLN 15 N -3.02 2.29 -0.03 6.09 -0.00 -1.26 -0.70 117.38 120.75 2k45 n GLN 15 Ca 0.03 -1.35 0.08 0.00 -0.00 0.00 0.00 57.00 55.76 2k45 n GLN 15 Cb 0.47 -1.55 0.09 0.00 -0.00 0.00 0.00 30.24 29.25 2k45 n GLN 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2k45 n ASN 16 N 0.40 2.45 -3.15 2.61 0.23 -0.28 -5.01 115.26 112.51 2k45 n ASN 16 Ca 0.12 -1.70 -0.15 0.00 -0.53 0.00 0.00 54.58 52.32 2k45 n ASN 16 Cb 0.48 -0.04 0.08 0.00 -2.08 0.00 0.00 39.78 38.22 2k45 n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k45 n ASN 17 N 0.90 -3.10 -3.66 0.53 3.02 0.13 -5.02 115.26 108.06 2k45 n ASN 17 Ca 0.10 -0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 53.94 2k45 n ASN 17 Cb 0.41 -4.68 -0.08 0.00 -0.61 0.00 0.00 39.78 34.82 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k45 s GLN 18 N -4.97 0.74 0.41 3.52 1.03 -1.23 -4.25 119.66 114.91 2k45 s GLN 18 Ca 0.11 0.89 -0.02 0.00 0.04 0.00 0.00 55.36 56.37 2k45 s GLN 18 Cb -0.01 0.36 -0.03 0.00 0.03 0.00 0.00 33.01 33.35 2k45 s GLN 18 CO 0.66 -0.09 0.66 -1.17 -2.54 0.00 0.00 175.29 172.81 2k45 s LEU 19 N 0.36 3.81 -0.04 2.60 0.20 0.75 -2.94 118.68 123.42 2k45 s LEU 19 Ca -0.00 0.65 0.03 0.00 0.69 0.00 0.00 54.13 55.50 2k45 s LEU 19 Cb -0.04 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2k45 s LEU 19 CO 0.00 -0.45 -0.14 -0.76 -0.29 0.00 0.00 176.35 174.72 2k45 s LEU 20 N -4.52 1.81 -0.62 -0.68 2.01 -1.18 -1.89 118.68 113.62 2k45 s LEU 20 Ca 0.44 -0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.33 2k45 s LEU 20 Cb -0.10 -0.81 0.16 0.00 0.01 0.00 0.00 46.19 45.45 2k45 s LEU 20 CO 0.40 0.10 0.41 -0.69 1.01 0.00 0.00 176.35 177.58 2k45 s VAL 21 N 0.23 2.55 -0.50 -1.59 1.01 -1.24 -1.35 120.40 119.52 2k45 s VAL 21 Ca -0.06 -3.83 -0.16 0.00 0.00 0.00 0.00 61.98 57.93 2k45 s VAL 21 Cb -0.12 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.65 2k45 s VAL 21 CO 0.02 -0.97 0.43 -0.83 0.00 0.00 0.00 175.10 173.76 2k45 s GLY 22 N -0.96 2.06 0.00 4.51 0.00 -1.26 -2.63 107.32 109.04 2k45 s GLY 22 Ca 0.23 -2.27 0.00 0.00 0.00 0.00 0.00 44.72 42.68 2k45 s GLY 22 CO -0.12 1.11 0.00 0.29 0.00 0.00 0.00 173.10 174.38 2k45 n ILE 23 N 5.22 0.00 0.02 0.90 -0.00 -1.19 -3.70 119.36 120.61 2k45 n ILE 23 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.62 2k45 n ILE 23 Cb 0.42 -0.61 -0.00 0.00 -0.00 0.00 0.00 39.64 39.46 2k45 n ILE 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k45 n ILE 24 N 0.00 0.70 -3.70 7.28 3.06 -0.82 -2.62 119.36 123.25 2k45 n ILE 24 Ca 0.00 0.23 -0.11 0.00 -2.50 0.00 0.00 62.75 60.37 2k45 n ILE 24 Cb 0.00 -1.38 -0.06 0.00 0.54 0.00 0.00 39.64 38.74 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2k45 s GLN 25 N -1.59 0.92 0.04 9.51 1.03 -1.26 0.57 119.66 128.87 2k45 s GLN 25 Ca -0.01 -0.56 0.02 0.00 0.04 0.00 0.00 55.36 54.85 2k45 s GLN 25 Cb 0.00 0.40 -0.04 0.00 0.03 0.00 0.00 33.01 33.40 2k45 s GLN 25 CO 0.02 -0.32 0.05 0.00 -2.54 0.00 0.00 175.29 172.50 2k45 s ALA 26 N -2.99 3.47 -0.10 2.60 0.00 -1.16 -2.50 121.76 121.08 2k45 s ALA 26 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2k45 s ALA 26 Cb 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.72 2k45 s ALA 26 CO -0.06 0.70 -0.11 0.00 0.00 0.00 0.00 175.76 176.29 2k45 s ALA 27 N -1.26 1.40 -1.24 0.00 0.00 -0.17 -3.05 121.76 117.44 2k45 s ALA 27 Ca 0.25 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2k45 s ALA 27 Cb -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2k45 s ALA 27 CO 0.17 -0.17 0.90 0.39 0.00 0.00 0.00 175.76 177.05 2k45 n GLU 28 N 4.41 -6.09 -2.21 0.00 1.02 -0.90 -3.71 120.64 113.17 2k45 n GLU 28 Ca -0.18 0.77 -0.29 0.00 -0.02 0.00 0.00 57.16 57.45 2k45 n GLU 28 Cb 0.51 -5.65 0.02 0.00 -0.02 0.00 0.00 31.44 26.30 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k45 s LEU 29 N -6.48 3.31 0.45 -4.62 1.43 -1.15 -4.54 118.68 107.09 2k45 s LEU 29 Ca 0.01 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.98 2k45 s LEU 29 Cb -0.00 -4.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.07 2k45 s LEU 29 CO 0.76 -0.87 1.07 -2.65 0.23 0.00 0.00 176.35 174.88 2k45 n PRO 30 N -2.60 1.42 -3.23 1.29 -0.02 -1.26 -4.88 135.00 125.72 2k45 n PRO 30 Ca 0.04 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 2k45 n PRO 30 Cb 0.55 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k45 s ALA 31 N -1.30 3.49 -0.41 3.55 0.00 -1.26 -4.66 121.76 121.16 2k45 s ALA 31 Ca 0.65 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.43 2k45 s ALA 31 Cb -0.52 -2.79 0.51 0.00 0.00 0.00 0.00 23.12 20.32 2k45 s ALA 31 CO 0.55 -0.23 1.62 1.28 0.00 0.00 0.00 175.76 178.98 2k45 n LEU 32 N 4.24 5.58 -3.91 0.00 7.99 -1.06 -4.85 117.00 125.00 2k45 n LEU 32 Ca -0.05 -4.09 -0.09 0.00 -0.01 0.00 0.00 56.01 51.77 2k45 n LEU 32 Cb 0.51 -0.69 -0.09 0.00 -0.11 0.00 0.00 43.42 43.04 2k45 n LEU 32 CO 0.43 1.47 -0.18 -0.62 -1.51 0.00 0.00 177.39 176.98 2k45 s ASP 33 N -2.40 0.15 -1.46 -1.43 2.15 0.59 -4.57 116.67 109.70 2k45 s ASP 33 Ca 0.53 -0.53 -0.10 0.00 0.43 0.00 0.00 52.55 52.88 2k45 s ASP 33 Cb 0.44 0.26 0.03 0.00 -0.30 0.00 0.00 42.92 43.35 2k45 s ASP 33 CO 0.02 -0.55 2.48 1.15 -0.17 0.00 0.00 175.17 178.10 2k45 n MET 34 N 0.61 3.73 -0.30 4.34 0.00 -1.26 -3.14 117.12 121.09 2k45 n MET 34 Ca -0.18 -2.82 -0.00 0.00 0.00 0.00 0.00 57.70 54.70 2k45 n MET 34 Cb 0.59 -2.89 -0.00 0.00 0.00 0.00 0.00 33.22 30.92 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k45 n GLY 35 N 3.10 0.51 3.65 3.17 0.00 -1.26 -4.94 105.19 109.41 2k45 n GLY 35 Ca 0.62 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.51 3.23 -0.02 0.00 -1.19 -4.97 105.19 101.73 2k45 n GLY 36 Ca -0.01 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2k45 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k45 s THR 37 N -3.23 0.00 0.26 2.61 -4.23 -1.24 -4.83 115.64 104.98 2k45 s THR 37 Ca 0.56 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2k45 s THR 37 Cb -0.27 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 2k45 s THR 37 CO 0.70 0.00 0.09 -0.94 -0.54 0.00 0.00 174.62 173.93 2k45 s SER 38 N -3.24 1.27 -0.95 3.99 1.04 -1.26 -0.30 113.70 114.25 2k45 s SER 38 Ca 0.40 -1.38 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 2k45 s SER 38 Cb 0.05 0.14 0.27 0.00 0.10 0.00 0.00 66.02 66.59 2k45 s SER 38 CO 0.18 -0.72 1.14 0.47 0.98 0.00 0.00 173.24 175.29 2k45 n ASP 39 N -0.48 5.29 -4.73 7.02 8.00 -1.26 -2.37 116.55 128.02 2k45 n ASP 39 Ca -0.00 -3.32 -0.39 0.00 0.71 0.00 0.00 54.79 51.79 2k45 n ASP 39 Cb 0.66 -1.11 0.03 0.00 -0.02 0.00 0.00 41.12 40.68 2k45 n ASP 39 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k45 n PRO 40 N 1.59 1.83 -3.67 -0.24 -0.04 -1.23 -2.78 135.00 130.45 2k45 n PRO 40 Ca 0.26 0.66 -0.10 0.00 -0.04 0.00 0.00 63.50 64.28 2k45 n PRO 40 Cb 0.36 -2.54 -0.09 0.00 -0.04 0.00 0.00 33.50 31.20 2k45 n PRO 40 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k45 s TYR 41 N -1.26 -0.76 -0.23 0.54 6.14 -1.00 -2.27 117.35 118.50 2k45 s TYR 41 Ca 0.68 1.63 -0.10 0.00 0.64 0.00 0.00 57.07 59.91 2k45 s TYR 41 Cb -0.44 0.38 -0.05 0.00 0.42 0.00 0.00 41.96 42.27 2k45 s TYR 41 CO 0.52 -0.39 0.15 0.08 0.64 0.00 0.00 175.55 176.56 2k45 s VAL 42 N 1.18 5.35 -0.43 3.14 1.01 -1.26 0.14 120.40 129.52 2k45 s VAL 42 Ca -0.07 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2k45 s VAL 42 Cb -0.06 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2k45 s VAL 42 CO -0.11 0.36 0.51 -0.54 0.00 0.00 0.00 175.10 175.32 2k45 s LYS 43 N 0.97 3.15 -0.24 2.72 1.02 0.21 -3.62 119.74 123.96 2k45 s LYS 43 Ca 0.07 -0.65 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 2k45 s LYS 43 Cb -0.13 -3.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 2k45 s LYS 43 CO 0.04 -0.93 0.09 0.08 -0.92 0.00 0.00 175.35 173.71 2k45 s VAL 44 N 2.38 4.58 0.28 3.17 1.01 -1.26 -0.15 120.40 130.42 2k45 s VAL 44 Ca 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2k45 s VAL 44 Cb -0.16 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2k45 s VAL 44 CO 0.15 0.35 0.36 0.72 0.00 0.00 0.00 175.10 176.68 2k45 s PHE 45 N 1.39 1.02 0.11 5.22 -0.71 -1.13 -2.82 117.98 121.06 2k45 s PHE 45 Ca 0.06 -1.23 0.09 0.00 -1.04 0.00 0.00 56.93 54.80 2k45 s PHE 45 Cb -0.15 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 2k45 s PHE 45 CO 0.05 -0.94 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.27 2k45 s LEU 46 N -3.19 2.58 0.29 -1.99 2.01 -1.26 -2.71 118.68 114.41 2k45 s LEU 46 Ca 0.32 -0.59 -0.28 0.00 0.01 0.00 0.00 54.13 53.59 2k45 s LEU 46 Cb 0.02 -1.46 -0.09 0.00 0.01 0.00 0.00 46.19 44.67 2k45 s LEU 46 CO 0.17 0.19 0.98 -0.22 1.01 0.00 0.00 176.35 178.47 2k45 s LEU 47 N -2.03 4.49 0.00 1.79 0.20 0.16 -3.45 118.68 119.83 2k45 s LEU 47 Ca 0.16 1.98 0.00 0.00 0.69 0.00 0.00 54.13 56.97 2k45 s LEU 47 Cb -0.10 -3.79 0.00 0.00 -0.43 0.00 0.00 46.19 41.86 2k45 s LEU 47 CO 0.08 -0.03 0.00 -2.65 -0.29 0.00 0.00 176.35 173.47 2k45 n PRO 48 N 1.00 0.00 -0.00 0.98 -0.02 -1.26 -3.73 135.00 131.96 2k45 n PRO 48 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2k45 n PRO 48 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2k45 n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k45 h ASP 49 N 0.00 0.00 -5.56 2.55 1.82 -1.92 -3.49 116.42 109.82 2k45 h ASP 49 Ca 0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.30 2k45 h ASP 49 Cb 0.00 0.00 0.16 0.00 0.68 0.00 0.00 39.33 40.17 2k45 h ASP 49 CO 0.00 0.01 -0.72 0.29 -1.61 0.00 0.00 179.24 177.21 2k45 n LYS 50 N -2.25 -6.74 -0.97 0.28 4.76 -1.22 -4.88 118.16 107.13 2k45 n LYS 50 Ca -0.00 0.82 -0.21 0.00 -2.87 0.00 0.00 58.31 56.05 2k45 n LYS 50 Cb 0.00 -5.76 0.09 0.00 -1.84 0.00 0.00 35.03 27.53 2k45 n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k45 n LYS 51 N -4.24 2.03 -3.54 1.97 4.76 -1.26 -4.86 118.16 113.02 2k45 n LYS 51 Ca -0.20 -2.22 -0.28 0.00 -2.87 0.00 0.00 58.31 52.73 2k45 n LYS 51 Cb 0.64 -1.87 -0.12 0.00 -1.84 0.00 0.00 35.03 31.84 2k45 n LYS 51 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k45 s LYS 52 N -2.51 0.98 -0.69 1.97 -0.14 -1.26 -3.91 119.74 114.18 2k45 s LYS 52 Ca 0.43 -1.88 -0.24 0.00 -1.36 0.00 0.00 55.97 52.92 2k45 s LYS 52 Cb 0.35 -1.76 0.06 0.00 -1.68 0.00 0.00 37.83 34.80 2k45 s LYS 52 CO 0.04 -1.26 1.09 0.15 -0.76 0.00 0.00 175.35 174.61 2k45 s LYS 53 N 0.40 3.15 0.01 1.68 -0.14 -1.26 -4.40 119.74 119.18 2k45 s LYS 53 Ca 0.23 -0.61 0.02 0.00 -1.36 0.00 0.00 55.97 54.24 2k45 s LYS 53 Cb -0.14 -4.22 -0.04 0.00 -1.68 0.00 0.00 37.83 31.75 2k45 s LYS 53 CO -0.07 -1.95 0.01 0.12 -0.76 0.00 0.00 175.35 172.70 2k45 s PHE 54 N 4.70 3.07 -0.27 3.18 2.19 -1.13 -4.78 117.98 124.95 2k45 s PHE 54 Ca 0.27 0.07 -0.00 0.00 0.33 0.00 0.00 56.93 57.60 2k45 s PHE 54 Cb -0.13 -1.65 0.15 0.00 -1.31 0.00 0.00 43.02 40.08 2k45 s PHE 54 CO 0.12 0.47 0.43 -2.00 1.83 0.00 0.00 175.22 176.07 2k45 s GLU 55 N -1.70 0.42 0.57 10.12 2.56 -1.26 -4.03 118.70 125.38 2k45 s GLU 55 Ca 0.21 0.49 -0.14 0.00 0.00 0.00 0.00 54.97 55.53 2k45 s GLU 55 Cb -0.12 -0.22 -0.06 0.00 2.00 0.00 0.00 34.13 35.74 2k45 s GLU 55 CO 0.12 -0.78 1.01 0.95 -0.56 0.00 0.00 175.26 176.00 2k45 s THR 56 N 2.61 4.53 0.35 -1.70 -4.23 -1.24 -5.04 115.64 110.92 2k45 s THR 56 Ca 0.13 1.02 -0.28 0.00 -1.18 0.00 0.00 61.69 61.38 2k45 s THR 56 Cb -0.14 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 69.86 2k45 s THR 56 CO -0.22 -0.88 1.32 -0.75 -0.54 0.00 0.00 174.62 173.56 2k45 s LYS 57 N -4.58 4.26 -0.14 3.99 2.47 -1.26 -4.87 119.74 119.61 2k45 s LYS 57 Ca 0.58 2.23 -0.29 0.00 -1.56 0.00 0.00 55.97 56.93 2k45 s LYS 57 Cb -0.11 -3.00 -0.01 0.00 -1.46 0.00 0.00 37.83 33.25 2k45 s LYS 57 CO 0.42 -0.28 1.13 0.08 0.16 0.00 0.00 175.35 176.87 2k45 s VAL 58 N -1.16 4.48 -0.98 4.02 1.01 -1.26 -4.71 120.40 121.80 2k45 s VAL 58 Ca 0.51 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 64.16 2k45 s VAL 58 Cb -0.40 -4.15 0.25 0.00 0.00 0.00 0.00 36.38 32.08 2k45 s VAL 58 CO 0.53 -0.08 0.95 -1.00 0.00 0.00 0.00 175.10 175.50 2k45 s HIS 59 N 2.74 4.03 0.00 5.22 0.09 -0.96 -4.97 115.29 121.44 2k45 s HIS 59 Ca 0.51 -2.36 -0.30 0.00 -0.00 0.00 0.00 55.06 52.91 2k45 s HIS 59 Cb -0.20 -3.83 -0.05 0.00 -0.00 0.00 0.00 32.58 28.50 2k45 s HIS 59 CO 0.15 -0.97 1.26 -0.98 -0.00 0.00 0.00 174.74 174.20 2k45 s ARG 60 N -0.58 4.36 -1.11 1.40 3.03 -1.26 -3.33 118.95 121.46 2k45 s ARG 60 Ca 0.25 1.80 -0.01 0.00 2.03 0.00 0.00 55.73 59.79 2k45 s ARG 60 Cb -0.10 -3.48 0.00 0.00 -1.03 0.00 0.00 34.95 30.34 2k45 s ARG 60 CO -0.08 -0.42 0.93 1.63 -1.13 0.00 0.00 175.30 176.23 2k45 n LYS 61 N 4.79 -6.21 -3.57 3.89 4.76 -1.14 -4.99 118.16 115.69 2k45 n LYS 61 Ca 0.11 0.77 -0.01 0.00 -2.87 0.00 0.00 58.31 56.31 2k45 n LYS 61 Cb 0.45 -5.56 -0.05 0.00 -1.84 0.00 0.00 35.03 28.04 2k45 n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k45 s THR 62 N -3.32 -0.66 -2.60 -0.18 -1.32 -1.00 -4.91 115.64 101.66 2k45 s THR 62 Ca 0.09 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.81 2k45 s THR 62 Cb -0.04 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.15 2k45 s THR 62 CO 0.66 0.00 1.31 0.18 -2.21 0.00 0.00 174.62 174.56 2k45 n LEU 63 N 5.04 2.40 -3.56 9.08 4.77 -1.26 -4.28 117.00 129.20 2k45 n LEU 63 Ca -0.13 -0.82 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 2k45 n LEU 63 Cb 0.52 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2k45 n LEU 63 CO -0.03 0.41 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.17 2k45 n ASN 64 N 0.70 2.42 -4.82 -1.43 4.05 -1.26 -2.12 115.26 112.80 2k45 n ASN 64 Ca 0.13 -3.11 -0.32 0.00 0.45 0.00 0.00 54.58 51.74 2k45 n ASN 64 Cb 0.51 -0.68 -0.06 0.00 1.23 0.00 0.00 39.78 40.78 2k45 n ASN 64 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2k45 s PRO 65 N -1.59 3.11 -0.26 1.20 0.04 -1.17 -4.91 135.00 131.42 2k45 s PRO 65 Ca 0.33 -0.53 0.01 0.00 0.04 0.00 0.00 61.00 60.85 2k45 s PRO 65 Cb 0.07 -2.87 0.07 0.00 0.04 0.00 0.00 34.50 31.80 2k45 s PRO 65 CO -0.11 0.62 -0.02 0.14 0.04 0.00 0.00 177.00 177.66 2k45 s VAL 66 N -1.33 1.54 -0.21 -0.36 -7.23 -1.26 -2.99 120.40 108.56 2k45 s VAL 66 Ca 0.28 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 58.98 2k45 s VAL 66 Cb -0.12 -1.88 -0.19 0.00 0.56 0.00 0.00 36.38 34.74 2k45 s VAL 66 CO 0.20 -0.22 0.03 0.33 -0.31 0.00 0.00 175.10 175.12 2k45 n PHE 67 N 4.64 0.63 -3.07 2.82 -0.00 0.22 -4.95 117.46 117.74 2k45 n PHE 67 Ca -0.09 0.19 -0.08 0.00 -0.00 0.00 0.00 57.45 57.47 2k45 n PHE 67 Cb 0.44 -1.07 0.01 0.00 -0.00 0.00 0.00 39.48 38.85 2k45 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k45 n ASN 68 N -3.83 -7.47 -3.97 -2.13 5.15 0.19 -5.00 115.26 98.21 2k45 n ASN 68 Ca -0.40 0.07 -0.31 0.00 -0.60 0.00 0.00 54.58 53.34 2k45 n ASN 68 Cb 0.91 -4.81 -0.15 0.00 -0.53 0.00 0.00 39.78 35.20 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k45 s GLU 69 N -2.99 1.60 -0.54 1.20 2.12 -1.08 -4.92 118.70 114.11 2k45 s GLU 69 Ca 0.12 -1.38 -0.25 0.00 0.36 0.00 0.00 54.97 53.82 2k45 s GLU 69 Cb -0.03 -2.79 0.04 0.00 0.26 0.00 0.00 34.13 31.61 2k45 s GLU 69 CO 0.78 -0.75 0.96 -0.65 -0.54 0.00 0.00 175.26 175.06 2k45 s GLN 70 N 1.19 3.38 -0.18 4.30 -1.52 -1.26 -3.17 119.66 122.40 2k45 s GLN 70 Ca 0.01 -0.14 -0.01 0.00 -1.95 0.00 0.00 55.36 53.27 2k45 s GLN 70 Cb -0.19 -4.03 0.05 0.00 -0.22 0.00 0.00 33.01 28.62 2k45 s GLN 70 CO -0.09 -1.46 -0.03 -0.06 -0.25 0.00 0.00 175.29 173.40 2k45 s PHE 71 N 4.02 1.66 -0.21 0.91 0.08 -1.08 -4.81 117.98 118.54 2k45 s PHE 71 Ca 0.33 -1.14 -0.28 0.00 0.12 0.00 0.00 56.93 55.95 2k45 s PHE 71 Cb -0.12 -1.29 0.13 0.00 -0.57 0.00 0.00 43.02 41.18 2k45 s PHE 71 CO 0.21 -0.64 1.06 0.99 -0.10 0.00 0.00 175.22 176.75 2k45 s THR 72 N 1.65 0.00 -0.65 0.64 2.01 -1.26 -3.62 115.64 114.40 2k45 s THR 72 Ca -0.01 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.04 2k45 s THR 72 Cb -0.16 -1.00 0.18 0.00 0.01 0.00 0.00 72.50 71.53 2k45 s THR 72 CO -0.07 0.00 0.51 0.49 -0.69 0.00 0.00 174.62 174.86 2k45 n PHE 73 N 1.20 2.70 -3.51 4.92 3.01 -0.94 -3.89 117.46 120.95 2k45 n PHE 73 Ca -0.10 -4.15 -0.39 0.00 1.01 0.00 0.00 57.45 53.82 2k45 n PHE 73 Cb 0.57 -0.50 -0.10 0.00 -0.01 0.00 0.00 39.48 39.44 2k45 n PHE 73 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2k45 s LYS 74 N -1.42 3.72 0.07 -1.08 2.47 -0.79 -4.50 119.74 118.21 2k45 s LYS 74 Ca 0.28 -0.42 0.02 0.00 -1.56 0.00 0.00 55.97 54.30 2k45 s LYS 74 Cb 0.00 -3.74 -0.04 0.00 -1.46 0.00 0.00 37.83 32.59 2k45 s LYS 74 CO -0.15 -0.35 0.10 0.14 0.16 0.00 0.00 175.35 175.24 2k45 s VAL 75 N 1.83 4.67 0.19 4.02 -7.23 -1.26 0.27 120.40 122.89 2k45 s VAL 75 Ca 0.09 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2k45 s VAL 75 Cb -0.17 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 2k45 s VAL 75 CO 0.11 0.14 -0.25 -2.65 -0.31 0.00 0.00 175.10 172.13 2k45 n PRO 76 N 0.46 0.00 -0.13 4.82 -0.02 -1.26 -1.87 135.00 137.00 2k45 n PRO 76 Ca -0.08 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.62 2k45 n PRO 76 Cb 0.52 -0.19 0.63 0.00 -0.02 0.00 0.00 33.50 34.44 2k45 n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k45 h TYR 77 N -0.19 0.20 -0.98 6.00 -0.00 -1.94 1.01 116.97 121.07 2k45 h TYR 77 Ca -0.08 0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.73 2k45 h TYR 77 Cb 0.26 -0.06 -0.07 0.00 -0.00 0.00 0.00 36.73 36.86 2k45 h TYR 77 CO 0.01 0.06 0.63 1.03 -0.00 0.00 0.00 178.16 179.89 2k45 h SER 78 N 0.16 1.00 0.37 0.10 0.87 -1.99 0.12 113.55 114.18 2k45 h SER 78 Ca 0.37 0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.63 2k45 h SER 78 Cb 1.24 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.95 2k45 h SER 78 CO -0.06 0.63 -1.84 1.21 -0.53 0.00 0.00 176.83 176.24 2k45 n GLU 79 N -4.53 0.66 -0.00 2.24 4.07 0.31 -4.36 120.64 119.02 2k45 n GLU 79 Ca 0.15 0.25 -0.08 0.00 -0.06 0.00 0.00 57.16 57.42 2k45 n GLU 79 Cb 0.19 -1.75 0.08 0.00 -0.06 0.00 0.00 31.44 29.90 2k45 n GLU 79 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2k45 h LEU 80 N 0.01 0.62 -0.51 4.31 6.46 0.21 -3.37 115.31 123.03 2k45 h LEU 80 Ca -0.34 -0.30 0.10 0.00 -0.12 0.00 0.00 57.88 57.22 2k45 h LEU 80 Cb 2.04 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 41.70 2k45 h LEU 80 CO 0.07 1.00 -0.20 1.23 -0.62 0.00 0.00 178.44 179.91 2k45 h GLY 81 N 1.05 0.19 1.87 3.75 0.00 -0.96 -0.03 103.07 108.95 2k45 h GLY 81 Ca 0.02 0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 2k45 h GLY 81 CO 0.09 -0.21 -0.48 -1.33 0.00 0.00 0.00 176.54 174.61 2k45 h GLY 82 N -0.09 0.15 -2.71 4.60 0.00 -1.85 -3.14 103.07 100.03 2k45 h GLY 82 Ca 0.24 -0.15 -0.48 0.00 0.00 0.00 0.00 47.33 46.93 2k45 h GLY 82 CO -0.57 0.14 0.14 0.54 0.00 0.00 0.00 176.54 176.79 2k45 s LYS 83 N -3.98 4.02 -0.14 4.80 -0.14 -0.02 -4.87 119.74 119.41 2k45 s LYS 83 Ca -0.03 0.72 0.01 0.00 -1.36 0.00 0.00 55.97 55.31 2k45 s LYS 83 Cb 0.13 -2.38 -0.01 0.00 -1.68 0.00 0.00 37.83 33.89 2k45 s LYS 83 CO 0.76 0.11 -0.16 0.99 -0.76 0.00 0.00 175.35 176.29 2k45 s THR 84 N -2.06 2.71 -0.32 2.17 2.01 -1.24 -1.01 115.64 117.90 2k45 s THR 84 Ca 0.55 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 2k45 s THR 84 Cb -0.10 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 2k45 s THR 84 CO 0.18 0.53 0.51 -1.48 -0.69 0.00 0.00 174.62 173.66 2k45 s LEU 85 N 0.56 4.22 -0.07 4.42 2.34 -1.24 0.38 118.68 129.30 2k45 s LEU 85 Ca -0.10 0.18 0.05 0.00 0.06 0.00 0.00 54.13 54.32 2k45 s LEU 85 Cb -0.16 -2.60 -0.00 0.00 -0.56 0.00 0.00 46.19 42.86 2k45 s LEU 85 CO 0.04 -0.40 -0.23 0.68 -1.06 0.00 0.00 176.35 175.38 2k45 s VAL 86 N 2.36 1.91 -0.01 1.48 -7.23 -1.10 -0.08 120.40 117.71 2k45 s VAL 86 Ca 0.19 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 2k45 s VAL 86 Cb -0.15 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2k45 s VAL 86 CO 0.12 0.53 -0.25 0.00 -0.31 0.00 0.00 175.10 175.19 2k45 s MET 87 N 0.07 1.98 -0.16 4.82 0.23 -1.25 -2.84 119.30 122.16 2k45 s MET 87 Ca -0.09 -0.90 -0.01 0.00 -1.03 0.00 0.00 55.69 53.66 2k45 s MET 87 Cb -0.15 -1.94 0.04 0.00 -1.53 0.00 0.00 34.83 31.26 2k45 s MET 87 CO 0.05 0.53 -0.03 0.00 -2.03 0.00 0.00 175.02 173.54 2k45 s ALA 88 N -0.60 1.28 -0.25 3.16 0.00 0.79 -1.52 121.76 124.62 2k45 s ALA 88 Ca 0.10 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 2k45 s ALA 88 Cb -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 2k45 s ALA 88 CO -0.01 -0.81 1.33 0.14 0.00 0.00 0.00 175.76 176.41 2k45 s VAL 89 N 1.72 4.13 -0.11 0.00 -7.23 0.54 0.66 120.40 120.12 2k45 s VAL 89 Ca 0.01 1.31 0.02 0.00 -1.81 0.00 0.00 61.98 61.51 2k45 s VAL 89 Cb -0.15 -4.05 -0.01 0.00 0.56 0.00 0.00 36.38 32.72 2k45 s VAL 89 CO -0.07 -0.34 -0.16 -0.47 -0.31 0.00 0.00 175.10 173.74 2k45 s TYR 90 N 4.18 2.72 -0.22 2.82 6.14 0.36 -0.38 117.35 132.97 2k45 s TYR 90 Ca 0.57 -0.65 -0.14 0.00 0.64 0.00 0.00 57.07 57.50 2k45 s TYR 90 Cb -0.19 -1.77 -0.04 0.00 0.42 0.00 0.00 41.96 40.38 2k45 s TYR 90 CO 0.21 -0.19 0.33 0.34 0.64 0.00 0.00 175.55 176.88 2k45 s ASP 91 N 0.14 6.32 -0.75 4.32 2.15 -0.63 -2.39 116.67 125.83 2k45 s ASP 91 Ca -0.08 0.37 -0.23 0.00 0.43 0.00 0.00 52.55 53.04 2k45 s ASP 91 Cb -0.15 -2.19 0.07 0.00 -0.30 0.00 0.00 42.92 40.34 2k45 s ASP 91 CO 0.05 -0.05 1.10 0.12 -0.17 0.00 0.00 175.17 176.23 2k45 s PHE 92 N 1.32 2.64 -2.64 -5.34 5.36 -1.12 -3.93 117.98 114.28 2k45 s PHE 92 Ca 0.15 -0.60 0.24 0.00 -0.96 0.00 0.00 56.93 55.76 2k45 s PHE 92 Cb -0.14 -4.40 0.49 0.00 -0.34 0.00 0.00 43.02 38.62 2k45 s PHE 92 CO 0.07 -1.74 1.43 -0.40 -1.46 0.00 0.00 175.22 173.12 2k45 n ASP 93 N 7.99 2.72 0.00 6.13 5.68 -1.26 -4.26 116.55 133.55 2k45 n ASP 93 Ca 0.05 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2k45 n ASP 93 Cb 0.47 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2k45 n ASP 93 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2k45 n ARG 94 N 1.06 -0.03 0.06 0.11 1.85 -1.26 -4.14 116.66 114.31 2k45 n ARG 94 Ca 0.17 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 2k45 n ARG 94 Cb 0.52 -3.60 0.00 0.00 -1.05 0.00 0.00 32.46 28.34 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2k45 n PHE 95 N -1.22 -1.58 -0.84 2.89 7.35 -1.26 -5.13 117.46 117.66 2k45 n PHE 95 Ca 0.00 0.28 -0.07 0.00 -0.76 0.00 0.00 57.45 56.89 2k45 n PHE 95 Cb 0.01 0.88 0.06 0.00 0.35 0.00 0.00 39.48 40.78 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k45 n SER 96 N -2.84 -0.81 -4.67 -2.13 3.41 -1.26 -4.93 113.62 100.40 2k45 n SER 96 Ca 0.00 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.36 2k45 n SER 96 Cb 0.00 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2k45 n SER 96 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2k45 s LYS 97 N -3.65 4.22 -0.25 4.33 -2.85 -1.26 -4.87 119.74 115.41 2k45 s LYS 97 Ca 0.18 2.07 -0.29 0.00 -1.00 0.00 0.00 55.97 56.94 2k45 s LYS 97 Cb -0.01 -3.79 -0.03 0.00 -2.06 0.00 0.00 37.83 31.93 2k45 s LYS 97 CO 0.13 -0.74 1.87 -1.01 0.10 0.00 0.00 175.35 175.71 2k45 s HIS 98 N 3.34 1.68 -0.13 1.78 3.76 -1.26 -4.92 115.29 119.54 2k45 s HIS 98 Ca 0.68 0.50 -0.20 0.00 -0.15 0.00 0.00 55.06 55.90 2k45 s HIS 98 Cb -0.32 -4.06 -0.04 0.00 1.11 0.00 0.00 32.58 29.28 2k45 s HIS 98 CO 0.27 -3.43 0.55 0.34 -0.85 0.00 0.00 174.74 171.62 2k45 s ASP 99 N 6.07 6.73 0.07 1.40 -1.08 -1.25 -4.88 116.67 123.73 2k45 s ASP 99 Ca 0.84 0.87 -0.31 0.00 -0.52 0.00 0.00 52.55 53.43 2k45 s ASP 99 Cb -0.27 -2.32 -0.07 0.00 -1.46 0.00 0.00 42.92 38.79 2k45 s ASP 99 CO 0.34 -0.08 1.48 -0.63 0.52 0.00 0.00 175.17 176.80 2k45 s ILE 100 N 0.96 3.30 -0.07 4.11 1.01 -1.26 -1.61 121.20 127.63 2k45 s ILE 100 Ca 0.28 0.81 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 2k45 s ILE 100 Cb -0.16 -3.52 -0.23 0.00 0.01 0.00 0.00 42.46 38.56 2k45 s ILE 100 CO 0.12 0.02 1.05 0.40 0.00 0.00 0.00 174.94 176.53 2k45 h ILE 101 N 4.60 1.57 -0.40 2.92 2.04 -1.04 -3.46 117.51 123.75 2k45 h ILE 101 Ca -0.41 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 63.78 2k45 h ILE 101 Cb 1.20 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2k45 h ILE 101 CO 0.90 0.43 0.00 0.61 0.00 0.00 0.00 178.15 180.09 2k45 n GLY 102 N 0.83 0.76 3.61 5.37 0.00 -1.04 -3.79 105.19 110.93 2k45 n GLY 102 Ca -0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 2k45 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k45 s GLU 103 N 0.03 0.42 -0.28 1.61 2.12 -0.49 -0.34 118.70 121.76 2k45 s GLU 103 Ca 0.00 0.21 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 2k45 s GLU 103 Cb 0.00 0.20 0.10 0.00 0.26 0.00 0.00 34.13 34.69 2k45 s GLU 103 CO 0.00 -0.11 0.76 0.12 -0.54 0.00 0.00 175.26 175.49 2k45 s PHE 104 N -0.68 -0.97 0.15 5.30 5.36 -0.57 -3.43 117.98 123.13 2k45 s PHE 104 Ca 0.02 1.90 -0.01 0.00 -0.96 0.00 0.00 56.93 57.89 2k45 s PHE 104 Cb -0.02 0.58 0.00 0.00 -0.34 0.00 0.00 43.02 43.25 2k45 s PHE 104 CO -0.04 -0.48 0.21 1.63 -1.46 0.00 0.00 175.22 175.09 2k45 n LYS 105 N 4.31 0.31 -3.66 10.12 4.76 -1.26 -3.77 118.16 128.97 2k45 n LYS 105 Ca -0.19 -1.20 -0.17 0.00 -2.87 0.00 0.00 58.31 53.88 2k45 n LYS 105 Cb 0.58 1.16 -0.16 0.00 -1.84 0.00 0.00 35.03 34.77 2k45 n LYS 105 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k45 s VAL 106 N -2.60 -0.25 0.07 -0.18 0.11 0.88 -4.78 120.40 113.65 2k45 s VAL 106 Ca 0.12 0.32 -0.37 0.00 -2.93 0.00 0.00 61.98 59.13 2k45 s VAL 106 Cb -0.00 -0.31 -0.17 0.00 -1.53 0.00 0.00 36.38 34.37 2k45 s VAL 106 CO 0.09 0.12 1.37 -0.81 -3.33 0.00 0.00 175.10 172.54 2k45 n PRO 107 N 5.32 1.20 0.30 1.54 -0.04 -1.26 -3.63 135.00 138.44 2k45 n PRO 107 Ca -0.05 0.43 0.19 0.00 -0.04 0.00 0.00 63.50 64.04 2k45 n PRO 107 Cb 0.50 -2.09 1.01 0.00 -0.04 0.00 0.00 33.50 32.88 2k45 n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k45 h MET 108 N 4.75 0.00 0.00 0.54 2.86 -1.29 -0.28 114.93 121.51 2k45 h MET 108 Ca -0.48 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2k45 h MET 108 Cb 1.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 2k45 h MET 108 CO 0.79 0.00 -0.01 -2.95 1.06 0.00 0.00 176.91 175.80 2k45 h ASN 109 N 0.00 0.00 1.37 1.22 7.08 -1.68 0.21 115.58 123.78 2k45 h ASN 109 Ca 0.02 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.21 2k45 h ASN 109 Cb 0.22 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 2k45 h ASN 109 CO -0.00 0.01 -0.65 0.71 -2.08 0.00 0.00 177.43 175.43 2k45 h THR 110 N 0.00 0.16 -3.45 6.14 1.35 -1.36 -3.45 112.91 112.30 2k45 h THR 110 Ca -0.00 -1.26 -0.60 0.00 -0.55 0.00 0.00 66.41 63.99 2k45 h THR 110 Cb 0.13 1.85 -0.10 0.00 -1.73 0.00 0.00 68.15 68.29 2k45 h THR 110 CO 0.00 0.09 0.11 -0.69 -0.25 0.00 0.00 175.52 174.79 2k45 s VAL 111 N -3.21 5.02 -0.34 6.82 1.01 0.74 -5.04 120.40 125.39 2k45 s VAL 111 Ca 0.02 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.86 2k45 s VAL 111 Cb 0.08 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2k45 s VAL 111 CO 0.75 0.08 0.96 -1.81 0.00 0.00 0.00 175.10 175.09 2k45 s ASP 112 N 1.31 6.77 -1.27 3.32 1.01 -1.26 -4.94 116.67 121.62 2k45 s ASP 112 Ca 0.27 0.77 -0.05 0.00 0.71 0.00 0.00 52.55 54.25 2k45 s ASP 112 Cb -0.16 -2.49 0.16 0.00 1.01 0.00 0.00 42.92 41.45 2k45 s ASP 112 CO 0.09 -0.83 2.19 0.33 0.21 0.00 0.00 175.17 177.16 2k45 n PHE 113 N 6.74 2.65 -0.08 4.23 7.35 -1.26 -4.36 117.46 132.73 2k45 n PHE 113 Ca 0.08 -2.77 -0.10 0.00 -0.76 0.00 0.00 57.45 53.90 2k45 n PHE 113 Cb 0.48 -1.74 -0.04 0.00 0.35 0.00 0.00 39.48 38.52 2k45 n PHE 113 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k45 n GLY 114 N 1.63 -0.88 0.00 7.13 0.00 -1.26 -4.63 105.19 107.18 2k45 n GLY 114 Ca 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2k45 n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k45 n HIS 115 N -4.55 0.00 -4.99 1.61 8.25 -1.26 -4.72 115.22 109.56 2k45 n HIS 115 Ca -0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 2k45 n HIS 115 Cb 0.41 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.37 2k45 n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k45 s VAL 116 N 1.60 2.60 -0.57 1.59 -7.23 -1.26 -4.25 120.40 112.88 2k45 s VAL 116 Ca 0.00 -0.83 -0.20 0.00 -1.81 0.00 0.00 61.98 59.13 2k45 s VAL 116 Cb 0.00 -2.04 0.07 0.00 0.56 0.00 0.00 36.38 34.97 2k45 s VAL 116 CO 0.00 0.55 0.76 -0.89 -0.31 0.00 0.00 175.10 175.21 2k45 s THR 117 N 0.21 4.68 -0.22 5.32 2.01 -0.93 -4.99 115.64 121.72 2k45 s THR 117 Ca -0.11 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.38 2k45 s THR 117 Cb -0.16 -4.47 0.05 0.00 0.01 0.00 0.00 72.50 67.93 2k45 s THR 117 CO 0.06 -1.08 -0.07 -1.83 -0.69 0.00 0.00 174.62 171.01 2k45 s GLU 118 N 3.13 1.76 -0.05 4.92 4.04 -1.26 -0.22 118.70 131.02 2k45 s GLU 118 Ca 0.18 -0.91 -0.30 0.00 0.04 0.00 0.00 54.97 53.98 2k45 s GLU 118 Cb -0.19 -2.49 0.08 0.00 0.02 0.00 0.00 34.13 31.55 2k45 s GLU 118 CO 0.11 -0.53 0.76 -1.83 -1.84 0.00 0.00 175.26 171.93 2k45 s GLU 119 N 1.41 0.96 -0.51 -4.83 -1.05 -0.59 -4.98 118.70 109.11 2k45 s GLU 119 Ca -0.04 0.12 -0.28 0.00 -0.15 0.00 0.00 54.97 54.63 2k45 s GLU 119 Cb -0.18 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 34.00 2k45 s GLU 119 CO -0.07 -0.32 1.09 -1.58 0.95 0.00 0.00 175.26 175.32 2k45 s TRP 120 N -1.55 2.78 -0.01 4.83 0.23 -1.26 -2.94 118.94 121.02 2k45 s TRP 120 Ca -0.07 0.49 0.02 0.00 -2.03 0.00 0.00 56.10 54.52 2k45 s TRP 120 Cb -0.00 -4.32 -0.03 0.00 0.03 0.00 0.00 33.47 29.14 2k45 s TRP 120 CO 0.05 -1.32 -0.05 0.50 0.96 0.00 0.00 176.95 177.08 2k45 s ARG 121 N 4.38 2.64 -0.01 4.98 6.06 -0.76 -4.94 118.95 131.30 2k45 s ARG 121 Ca 0.43 -0.67 -0.09 0.00 -2.50 0.00 0.00 55.73 52.90 2k45 s ARG 121 Cb -0.08 -2.56 -0.05 0.00 0.06 0.00 0.00 34.95 32.32 2k45 s ARG 121 CO 0.28 0.62 0.29 0.16 -2.50 0.00 0.00 175.30 174.14 2k45 s ASP 122 N -1.37 6.55 -0.29 -2.12 -4.77 -1.26 0.17 116.67 113.58 2k45 s ASP 122 Ca 0.17 0.65 -0.21 0.00 -3.30 0.00 0.00 52.55 49.86 2k45 s ASP 122 Cb -0.11 -2.13 -0.01 0.00 -1.09 0.00 0.00 42.92 39.58 2k45 s ASP 122 CO 0.07 0.29 0.67 -0.76 0.70 0.00 0.00 175.17 176.14 2k45 s LEU 123 N -1.50 4.11 -0.03 2.11 2.01 -0.42 -4.44 118.68 120.52 2k45 s LEU 123 Ca 0.25 0.56 -0.03 0.00 0.01 0.00 0.00 54.13 54.91 2k45 s LEU 123 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 46.19 43.14 2k45 s LEU 123 CO 0.13 -0.48 0.16 0.00 1.01 0.00 0.00 176.35 177.17 2k45 s GLN 124 N 2.66 3.39 -0.25 1.70 -2.07 -1.22 -0.64 119.66 123.22 2k45 s GLN 124 Ca 0.27 -0.30 -0.29 0.00 -1.82 0.00 0.00 55.36 53.22 2k45 s GLN 124 Cb -0.15 -3.09 -0.02 0.00 -1.09 0.00 0.00 33.01 28.66 2k45 s GLN 124 CO 0.11 0.70 1.61 0.45 -1.32 0.00 0.00 175.29 176.83 2k45 s SER 125 N -1.71 6.33 -0.08 12.60 0.15 -1.26 -1.39 113.70 128.34 2k45 s SER 125 Ca 0.24 1.50 -0.09 0.00 0.70 0.00 0.00 55.95 58.30 2k45 s SER 125 Cb -0.12 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2k45 s SER 125 CO 0.15 -1.32 0.21 0.00 1.20 0.00 0.00 173.24 173.48 2k45 s ALA 126 N 5.39 3.84 -1.00 5.45 0.00 -1.25 -4.81 121.76 129.38 2k45 s ALA 126 Ca 0.71 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 2k45 s ALA 126 Cb -0.23 -2.07 0.24 0.00 0.00 0.00 0.00 23.12 21.07 2k45 s ALA 126 CO 0.30 0.59 1.00 -1.21 0.00 0.00 0.00 175.76 176.44 2k45 s GLU 127 N -1.10 3.95 0.00 0.00 0.41 -1.26 -4.67 118.70 116.02 2k45 s GLU 127 Ca 0.18 -2.84 0.11 0.00 -0.41 0.00 0.00 54.97 52.00 2k45 s GLU 127 Cb -0.13 -4.55 0.09 0.00 -1.78 0.00 0.00 34.13 27.76 2k45 s GLU 127 CO 0.07 -1.31 0.85 1.17 -0.49 0.00 0.00 175.26 175.55