#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 s LYS 2 N 0.00 1.91 0.10 3.49 -0.14 -1.26 -4.85 119.74 118.99 2k45 s LYS 2 Ca 0.00 -2.63 -0.10 0.00 -1.36 0.00 0.00 55.97 51.88 2k45 s LYS 2 Cb 0.00 -3.11 -0.17 0.00 -1.68 0.00 0.00 37.83 32.87 2k45 s LYS 2 CO 0.00 -1.16 1.24 -0.07 -0.76 0.00 0.00 175.35 174.61 2k45 h LEU 3 N 6.32 0.77 0.00 3.17 4.07 -1.81 -3.39 115.31 124.44 2k45 h LEU 3 Ca -0.02 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.33 2k45 h LEU 3 Cb 0.87 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2k45 h LEU 3 CO 0.65 1.41 0.00 0.61 -1.08 0.00 0.00 178.44 180.03 2k45 n GLY 4 N 1.01 0.66 3.17 0.83 0.00 -1.23 -2.20 105.19 107.43 2k45 n GLY 4 Ca -0.09 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 0.76 -0.32 1.61 1.02 -1.21 -3.50 119.74 118.10 2k45 s LYS 5 Ca 0.00 -1.00 0.03 0.00 0.02 0.00 0.00 55.97 55.01 2k45 s LYS 5 Cb 0.00 0.30 0.09 0.00 -0.52 0.00 0.00 37.83 37.70 2k45 s LYS 5 CO 0.00 -0.21 0.04 -0.48 -0.92 0.00 0.00 175.35 173.78 2k45 s LEU 6 N -2.80 3.91 -0.41 3.17 2.34 0.31 -0.17 118.68 125.03 2k45 s LEU 6 Ca 0.04 -1.91 -0.15 0.00 0.06 0.00 0.00 54.13 52.18 2k45 s LEU 6 Cb 0.05 -1.41 0.02 0.00 -0.56 0.00 0.00 46.19 44.29 2k45 s LEU 6 CO -0.10 -0.37 0.29 -1.10 -1.06 0.00 0.00 176.35 174.02 2k45 s GLN 7 N 1.12 2.99 0.00 1.48 1.11 -0.96 -2.40 119.66 123.00 2k45 s GLN 7 Ca 0.08 -1.01 0.00 0.00 0.01 0.00 0.00 55.36 54.44 2k45 s GLN 7 Cb -0.19 -3.96 0.00 0.00 -1.01 0.00 0.00 33.01 27.85 2k45 s GLN 7 CO -0.12 -0.74 0.00 0.98 0.01 0.00 0.00 175.29 175.43 2k45 n TYR 8 N 5.15 0.00 -4.16 0.91 9.36 -0.90 -3.04 117.16 124.48 2k45 n TYR 8 Ca -0.11 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.85 2k45 n TYR 8 Cb 0.47 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.01 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 2.00 1.95 -0.17 2.98 1.04 -1.07 -1.35 113.70 119.09 2k45 s SER 9 Ca 0.00 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 2k45 s SER 9 Cb 0.00 -0.81 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 2k45 s SER 9 CO 0.00 -0.06 0.04 -0.76 0.98 0.00 0.00 173.24 173.44 2k45 s LEU 10 N 1.29 3.72 0.36 2.42 2.01 0.28 -2.48 118.68 126.28 2k45 s LEU 10 Ca -0.03 0.07 0.04 0.00 0.01 0.00 0.00 54.13 54.21 2k45 s LEU 10 Cb -0.14 -1.92 -0.05 0.00 0.01 0.00 0.00 46.19 44.09 2k45 s LEU 10 CO -0.03 0.20 0.08 -0.62 1.01 0.00 0.00 176.35 176.99 2k45 s ASP 11 N 0.18 2.55 -0.09 2.29 2.15 -0.13 0.62 116.67 124.24 2k45 s ASP 11 Ca 0.03 -1.50 -0.03 0.00 0.43 0.00 0.00 52.55 51.48 2k45 s ASP 11 Cb -0.13 0.17 0.05 0.00 -0.30 0.00 0.00 42.92 42.72 2k45 s ASP 11 CO 0.01 -0.74 0.14 -0.47 -0.17 0.00 0.00 175.17 173.94 2k45 s TYR 12 N -3.27 -0.11 -0.25 -5.34 5.04 -1.23 0.19 117.35 112.37 2k45 s TYR 12 Ca 0.31 0.43 -0.14 0.00 -2.44 0.00 0.00 57.07 55.23 2k45 s TYR 12 Cb 0.06 -0.35 -0.04 0.00 0.35 0.00 0.00 41.96 41.98 2k45 s TYR 12 CO 0.14 -0.31 0.31 0.34 -1.34 0.00 0.00 175.55 174.70 2k45 s ASP 13 N 2.26 6.23 0.07 4.32 -1.08 -0.69 -4.90 116.67 122.88 2k45 s ASP 13 Ca 0.04 0.26 0.19 0.00 -0.52 0.00 0.00 52.55 52.51 2k45 s ASP 13 Cb -0.13 -2.18 -0.13 0.00 -1.46 0.00 0.00 42.92 39.02 2k45 s ASP 13 CO -0.06 -0.10 0.79 2.22 0.52 0.00 0.00 175.17 178.54 2k45 n PHE 14 N 4.96 0.83 0.66 -5.34 1.16 -1.26 -1.25 117.46 117.22 2k45 n PHE 14 Ca -0.10 0.27 0.07 0.00 -1.87 0.00 0.00 57.45 55.81 2k45 n PHE 14 Cb 0.51 -1.01 0.18 0.00 -1.61 0.00 0.00 39.48 37.56 2k45 n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k45 n GLN 15 N -2.78 1.98 0.00 3.97 -0.00 -1.26 -1.47 117.38 117.82 2k45 n GLN 15 Ca -0.09 -1.50 0.05 0.00 -0.00 0.00 0.00 57.00 55.46 2k45 n GLN 15 Cb 0.78 -1.33 0.02 0.00 -0.00 0.00 0.00 30.24 29.71 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 0.72 1.57 -3.57 2.61 0.23 -1.25 -5.03 115.26 110.54 2k45 n ASN 16 Ca 0.14 -1.28 -0.25 0.00 -0.53 0.00 0.00 54.58 52.66 2k45 n ASN 16 Cb 0.36 0.20 0.05 0.00 -2.08 0.00 0.00 39.78 38.31 2k45 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k45 n ASN 17 N 0.22 -4.80 -3.93 0.53 4.05 -0.54 -4.91 115.26 105.87 2k45 n ASN 17 Ca 0.05 -0.89 -0.15 0.00 0.45 0.00 0.00 54.58 54.04 2k45 n ASN 17 Cb 0.23 -4.02 -0.14 0.00 1.23 0.00 0.00 39.78 37.08 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k45 s GLN 18 N -5.54 0.30 0.46 1.20 1.03 -0.38 -2.08 119.66 114.64 2k45 s GLN 18 Ca 0.37 -0.13 -0.06 0.00 0.04 0.00 0.00 55.36 55.58 2k45 s GLN 18 Cb -0.10 -0.29 -0.04 0.00 0.03 0.00 0.00 33.01 32.60 2k45 s GLN 18 CO 0.82 0.07 0.77 -0.51 -2.54 0.00 0.00 175.29 173.91 2k45 s LEU 19 N -0.06 3.69 -0.02 2.60 1.43 -0.97 -1.70 118.68 123.65 2k45 s LEU 19 Ca 0.01 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 2k45 s LEU 19 Cb -0.02 -3.90 -0.00 0.00 0.03 0.00 0.00 46.19 42.30 2k45 s LEU 19 CO -0.00 -0.52 -0.11 -0.76 0.23 0.00 0.00 176.35 175.19 2k45 s LEU 20 N -4.48 1.92 -0.63 1.79 1.43 0.50 0.89 118.68 120.10 2k45 s LEU 20 Ca 0.48 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 2k45 s LEU 20 Cb -0.10 -0.61 0.15 0.00 0.03 0.00 0.00 46.19 45.66 2k45 s LEU 20 CO 0.41 0.11 0.40 0.54 0.23 0.00 0.00 176.35 178.04 2k45 s VAL 21 N -0.05 2.67 -1.10 -1.59 0.11 0.05 -0.95 120.40 119.53 2k45 s VAL 21 Ca 0.01 -3.86 -0.12 0.00 -2.93 0.00 0.00 61.98 55.08 2k45 s VAL 21 Cb -0.07 -2.79 0.22 0.00 -1.53 0.00 0.00 36.38 32.21 2k45 s VAL 21 CO 0.00 -0.94 1.20 -0.83 -3.33 0.00 0.00 175.10 171.20 2k45 s GLY 22 N -0.97 2.77 0.00 6.54 0.00 -1.03 -1.05 107.32 113.58 2k45 s GLY 22 Ca 0.22 -3.53 0.00 0.00 0.00 0.00 0.00 44.72 41.41 2k45 s GLY 22 CO -0.11 1.64 0.00 0.29 0.00 0.00 0.00 173.10 174.93 2k45 n ILE 23 N 3.76 0.00 0.00 0.90 -0.00 -0.91 -2.59 119.36 120.51 2k45 n ILE 23 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.03 2k45 n ILE 23 Cb 0.42 -0.75 0.00 0.00 -0.00 0.00 0.00 39.64 39.31 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2k45 n ILE 24 N 0.00 0.00 -3.79 7.28 2.08 -1.17 -2.56 119.36 121.21 2k45 n ILE 24 Ca 0.00 0.06 -0.11 0.00 0.56 0.00 0.00 62.75 63.26 2k45 n ILE 24 Cb 0.00 -0.88 -0.07 0.00 -0.75 0.00 0.00 39.64 37.94 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k45 s GLN 25 N -0.53 0.80 0.02 0.38 1.03 -1.26 0.13 119.66 120.24 2k45 s GLN 25 Ca 0.00 -0.62 0.01 0.00 0.04 0.00 0.00 55.36 54.78 2k45 s GLN 25 Cb 0.00 0.34 -0.04 0.00 0.03 0.00 0.00 33.01 33.34 2k45 s GLN 25 CO 0.00 -0.26 0.08 0.00 -2.54 0.00 0.00 175.29 172.57 2k45 s ALA 26 N -2.85 3.57 -0.07 2.60 0.00 -1.00 -2.25 121.76 121.77 2k45 s ALA 26 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2k45 s ALA 26 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.61 2k45 s ALA 26 CO -0.05 0.71 -0.13 0.00 0.00 0.00 0.00 175.76 176.29 2k45 s ALA 27 N -1.25 1.32 -1.07 0.00 0.00 0.76 -2.50 121.76 119.01 2k45 s ALA 27 Ca 0.25 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2k45 s ALA 27 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2k45 s ALA 27 CO 0.16 0.13 0.90 0.39 0.00 0.00 0.00 175.76 177.35 2k45 n GLU 28 N 3.75 -6.00 -3.31 0.00 -0.58 0.35 -3.31 120.64 111.53 2k45 n GLU 28 Ca -0.22 0.74 -0.24 0.00 -0.42 0.00 0.00 57.16 57.02 2k45 n GLU 28 Cb 0.52 -5.45 -0.01 0.00 -0.57 0.00 0.00 31.44 25.93 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k45 s LEU 29 N -5.93 3.97 0.67 -4.62 1.43 0.92 -4.33 118.68 110.78 2k45 s LEU 29 Ca 0.08 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 2k45 s LEU 29 Cb -0.04 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2k45 s LEU 29 CO 0.64 -0.33 1.22 -2.16 0.23 0.00 0.00 176.35 175.95 2k45 s PRO 30 N -4.35 2.52 -0.10 1.29 0.04 -1.26 -4.67 135.00 128.46 2k45 s PRO 30 Ca 0.41 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 2k45 s PRO 30 Cb -0.10 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2k45 s PRO 30 CO 0.37 -1.56 0.88 0.00 0.04 0.00 0.00 177.00 176.72 2k45 s ALA 31 N -1.75 3.38 -0.31 8.56 0.00 -1.26 -4.52 121.76 125.86 2k45 s ALA 31 Ca 0.77 0.24 0.07 0.00 0.00 0.00 0.00 51.96 53.04 2k45 s ALA 31 Cb -0.31 -3.25 0.46 0.00 0.00 0.00 0.00 23.12 20.02 2k45 s ALA 31 CO 0.40 -0.44 1.26 1.28 0.00 0.00 0.00 175.76 178.26 2k45 n LEU 32 N 4.61 4.99 -3.88 0.00 7.99 -0.88 -4.86 117.00 124.97 2k45 n LEU 32 Ca 0.05 -4.65 -0.10 0.00 -0.01 0.00 0.00 56.01 51.30 2k45 n LEU 32 Cb 0.50 -0.40 -0.08 0.00 -0.11 0.00 0.00 43.42 43.32 2k45 n LEU 32 CO 0.50 2.01 -0.14 -0.62 -1.51 0.00 0.00 177.39 177.63 2k45 s ASP 33 N -3.43 0.10 -1.53 -1.43 2.15 -0.92 -4.60 116.67 107.01 2k45 s ASP 33 Ca 0.51 -0.48 -0.10 0.00 0.43 0.00 0.00 52.55 52.90 2k45 s ASP 33 Cb 0.41 0.28 -0.02 0.00 -0.30 0.00 0.00 42.92 43.29 2k45 s ASP 33 CO 0.03 -0.58 2.66 0.23 -0.17 0.00 0.00 175.17 177.34 2k45 n MET 34 N 0.56 3.59 -0.20 4.34 2.81 -1.26 -2.98 117.12 123.98 2k45 n MET 34 Ca -0.18 -2.51 0.00 0.00 -1.81 0.00 0.00 57.70 53.19 2k45 n MET 34 Cb 0.59 -2.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.19 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k45 n GLY 35 N 3.46 0.51 3.65 3.03 0.00 -1.26 -4.99 105.19 109.59 2k45 n GLY 35 Ca 0.68 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 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 3.27 -0.02 0.00 -1.16 -4.98 105.19 101.79 2k45 n GLY 36 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.24 0.00 0.26 2.61 -4.23 -1.26 -4.82 115.64 104.96 2k45 s THR 37 Ca 0.57 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 2k45 s THR 37 Cb -0.28 -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 -0.07 -0.55 -0.54 0.00 0.00 174.62 174.16 2k45 s SER 38 N -3.31 2.62 -0.80 3.99 0.15 -1.22 -2.08 113.70 113.04 2k45 s SER 38 Ca 0.40 -1.15 0.02 0.00 0.70 0.00 0.00 55.95 55.92 2k45 s SER 38 Cb 0.03 -0.14 0.27 0.00 -1.71 0.00 0.00 66.02 64.47 2k45 s SER 38 CO 0.23 -0.32 0.99 0.47 1.20 0.00 0.00 173.24 175.82 2k45 n ASP 39 N -0.52 4.68 -4.56 5.45 9.92 -1.25 -0.85 116.55 129.42 2k45 n ASP 39 Ca -0.06 -3.42 -0.45 0.00 -0.53 0.00 0.00 54.79 50.33 2k45 n ASP 39 Cb 0.63 -0.90 -0.02 0.00 -0.64 0.00 0.00 41.12 40.19 2k45 n ASP 39 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k45 n PRO 40 N 1.10 1.15 -3.64 -0.24 -0.04 -1.20 -2.48 135.00 129.65 2k45 n PRO 40 Ca 0.28 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 64.08 2k45 n PRO 40 Cb 0.38 -1.73 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.00 -0.97 -0.40 0.54 5.04 -0.97 -1.78 117.35 117.79 2k45 s TYR 41 Ca 0.60 1.95 -0.15 0.00 -2.44 0.00 0.00 57.07 57.03 2k45 s TYR 41 Cb -0.74 0.58 0.01 0.00 0.35 0.00 0.00 41.96 42.17 2k45 s TYR 41 CO 0.59 -0.48 0.31 0.08 -1.34 0.00 0.00 175.55 174.71 2k45 s VAL 42 N 1.58 5.24 -0.54 3.14 1.01 -1.26 0.13 120.40 129.70 2k45 s VAL 42 Ca -0.10 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 2k45 s VAL 42 Cb -0.05 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2k45 s VAL 42 CO -0.19 -0.28 1.06 -0.54 0.00 0.00 0.00 175.10 175.15 2k45 s LYS 43 N 1.75 3.48 -0.23 2.72 1.02 0.37 -3.43 119.74 125.42 2k45 s LYS 43 Ca 0.06 0.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.05 2k45 s LYS 43 Cb -0.19 -4.00 -0.05 0.00 -0.52 0.00 0.00 37.83 33.08 2k45 s LYS 43 CO 0.11 -1.50 0.15 0.54 -0.92 0.00 0.00 175.35 173.72 2k45 s VAL 44 N 4.36 5.28 0.24 3.17 0.11 -1.24 0.50 120.40 132.82 2k45 s VAL 44 Ca 0.38 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.62 2k45 s VAL 44 Cb -0.09 -3.45 -0.01 0.00 -1.53 0.00 0.00 36.38 31.29 2k45 s VAL 44 CO 0.24 0.36 0.24 0.49 -3.33 0.00 0.00 175.10 173.11 2k45 n PHE 45 N 4.20 -0.74 -4.41 1.54 3.72 0.18 -3.44 117.46 118.51 2k45 n PHE 45 Ca -0.15 -1.90 -0.21 0.00 -0.05 0.00 0.00 57.45 55.14 2k45 n PHE 45 Cb 0.52 0.26 -0.10 0.00 -0.94 0.00 0.00 39.48 39.22 2k45 n PHE 45 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k45 s LEU 46 N 0.00 1.95 1.24 4.37 1.43 -1.26 -1.97 118.68 124.44 2k45 s LEU 46 Ca 0.26 -1.44 -0.20 0.00 -1.03 0.00 0.00 54.13 51.72 2k45 s LEU 46 Cb 0.01 -0.18 0.30 0.00 0.03 0.00 0.00 46.19 46.35 2k45 s LEU 46 CO 0.19 -0.72 1.11 -1.48 0.23 0.00 0.00 176.35 175.67 2k45 s LEU 47 N -3.45 0.52 0.06 1.79 0.05 -0.88 -4.53 118.68 112.24 2k45 s LEU 47 Ca 0.35 0.56 0.05 0.00 0.05 0.00 0.00 54.13 55.14 2k45 s LEU 47 Cb 0.07 -2.22 0.19 0.00 -2.05 0.00 0.00 46.19 42.18 2k45 s LEU 47 CO 0.15 -4.30 0.18 -2.65 -0.55 0.00 0.00 176.35 169.18 2k45 n PRO 48 N -4.87 -0.00 0.15 1.48 -0.02 -1.26 -0.59 135.00 129.89 2k45 n PRO 48 Ca 0.14 0.13 -0.06 0.00 -2.02 0.00 0.00 63.50 61.70 2k45 n PRO 48 Cb 0.60 -0.29 -0.03 0.00 -0.02 0.00 0.00 33.50 33.76 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 -0.34 -4.72 2.55 3.58 -1.98 -3.48 116.42 112.04 2k45 h ASP 49 Ca 0.11 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.38 2k45 h ASP 49 Cb 0.41 0.09 0.14 0.00 1.72 0.00 0.00 39.33 41.68 2k45 h ASP 49 CO -0.02 -0.14 -0.60 1.17 -2.88 0.00 0.00 179.24 176.77 2k45 n LYS 50 N -3.65 -2.14 -0.40 0.28 0.00 0.24 -4.89 118.16 107.61 2k45 n LYS 50 Ca -0.05 0.62 -0.05 0.00 0.00 0.00 0.00 58.31 58.82 2k45 n LYS 50 Cb 0.16 -4.64 0.09 0.00 0.00 0.00 0.00 35.03 30.63 2k45 n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k45 n LYS 51 N -2.82 1.70 -3.36 1.64 5.02 -1.26 -4.60 118.16 114.48 2k45 n LYS 51 Ca -0.08 -1.08 -0.23 0.00 -2.02 0.00 0.00 58.31 54.90 2k45 n LYS 51 Cb 0.59 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k45 s LYS 52 N -1.29 0.71 -0.74 1.97 -2.85 -1.26 -3.35 119.74 112.92 2k45 s LYS 52 Ca 0.20 -1.37 -0.21 0.00 -1.00 0.00 0.00 55.97 53.59 2k45 s LYS 52 Cb 0.16 -1.06 0.09 0.00 -2.06 0.00 0.00 37.83 34.97 2k45 s LYS 52 CO 0.04 -1.26 0.99 0.21 0.10 0.00 0.00 175.35 175.43 2k45 s LYS 53 N 0.90 3.26 0.34 1.78 2.20 -1.26 -4.15 119.74 122.81 2k45 s LYS 53 Ca 0.22 -1.19 0.08 0.00 -0.36 0.00 0.00 55.97 54.73 2k45 s LYS 53 Cb -0.12 -4.47 -0.04 0.00 -1.51 0.00 0.00 37.83 31.69 2k45 s LYS 53 CO -0.06 -1.78 0.11 -0.06 -0.36 0.00 0.00 175.35 173.21 2k45 s PHE 54 N 3.48 2.68 -0.15 4.03 0.40 -1.22 -5.04 117.98 122.16 2k45 s PHE 54 Ca 0.25 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 2k45 s PHE 54 Cb -0.14 -1.60 0.07 0.00 0.51 0.00 0.00 43.02 41.87 2k45 s PHE 54 CO 0.03 0.37 0.27 -2.00 0.70 0.00 0.00 175.22 174.60 2k45 s GLU 55 N -3.82 0.17 0.61 0.44 2.12 -1.26 -3.60 118.70 113.37 2k45 s GLU 55 Ca 0.37 0.70 -0.17 0.00 0.36 0.00 0.00 54.97 56.23 2k45 s GLU 55 Cb -0.02 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 2k45 s GLU 55 CO 0.22 -0.34 1.13 0.99 -0.54 0.00 0.00 175.26 176.72 2k45 s THR 56 N 2.43 3.10 0.42 -1.70 2.01 -1.22 -5.00 115.64 115.67 2k45 s THR 56 Ca 0.02 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 2k45 s THR 56 Cb -0.13 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 2k45 s THR 56 CO -0.10 -0.24 1.28 -0.75 -0.69 0.00 0.00 174.62 174.13 2k45 s LYS 57 N -3.70 3.92 0.00 4.92 2.20 -1.26 -4.75 119.74 121.07 2k45 s LYS 57 Ca 0.71 2.09 -0.30 0.00 -0.36 0.00 0.00 55.97 58.11 2k45 s LYS 57 Cb -0.23 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 2k45 s LYS 57 CO 0.35 -0.51 1.07 0.14 -0.36 0.00 0.00 175.35 176.04 2k45 s VAL 58 N -1.30 4.55 -0.71 4.02 -7.23 -1.26 -4.72 120.40 113.74 2k45 s VAL 58 Ca 0.58 1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 62.45 2k45 s VAL 58 Cb -0.36 -4.17 0.19 0.00 0.56 0.00 0.00 36.38 32.59 2k45 s VAL 58 CO 0.46 0.11 0.65 -1.00 -0.31 0.00 0.00 175.10 175.02 2k45 s HIS 59 N 1.25 3.58 -0.00 2.82 0.09 -0.74 -4.98 115.29 117.31 2k45 s HIS 59 Ca 0.54 -1.84 -0.30 0.00 -0.00 0.00 0.00 55.06 53.46 2k45 s HIS 59 Cb -0.24 -3.76 -0.06 0.00 -0.00 0.00 0.00 32.58 28.53 2k45 s HIS 59 CO 0.27 -0.99 1.48 -0.98 -0.00 0.00 0.00 174.74 174.52 2k45 s ARG 60 N 0.61 4.25 -0.73 1.40 1.04 -1.26 -3.25 118.95 121.01 2k45 s ARG 60 Ca 0.13 2.06 -0.01 0.00 -1.04 0.00 0.00 55.73 56.87 2k45 s ARG 60 Cb -0.17 -3.64 -0.02 0.00 -2.04 0.00 0.00 34.95 29.08 2k45 s ARG 60 CO -0.05 -0.65 0.62 1.63 -0.04 0.00 0.00 175.30 176.81 2k45 n LYS 61 N 5.72 -3.24 -3.69 3.89 4.76 -0.79 -4.98 118.16 119.84 2k45 n LYS 61 Ca 0.14 0.55 -0.11 0.00 -2.87 0.00 0.00 58.31 56.02 2k45 n LYS 61 Cb 0.43 -4.51 -0.11 0.00 -1.84 0.00 0.00 35.03 28.99 2k45 n LYS 61 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k45 s THR 62 N -3.24 -0.11 -2.00 -0.18 -4.23 -0.03 -4.82 115.64 101.04 2k45 s THR 62 Ca 0.10 0.12 0.27 0.00 -1.18 0.00 0.00 61.69 61.00 2k45 s THR 62 Cb -0.01 -0.57 0.38 0.00 1.34 0.00 0.00 72.50 73.63 2k45 s THR 62 CO 0.47 0.05 1.66 0.18 -0.54 0.00 0.00 174.62 176.43 2k45 n LEU 63 N 4.43 1.13 -3.29 4.79 4.77 -1.26 -3.44 117.00 124.13 2k45 n LEU 63 Ca -0.21 -0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 55.19 2k45 n LEU 63 Cb 0.54 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2k45 n LEU 63 CO 0.08 0.20 -0.31 -3.20 -1.33 0.00 0.00 177.39 172.84 2k45 n ASN 64 N -0.40 -0.10 -4.82 -1.43 4.05 -1.26 -0.06 115.26 111.23 2k45 n ASN 64 Ca 0.15 -2.55 -0.34 0.00 0.45 0.00 0.00 54.58 52.29 2k45 n ASN 64 Cb 0.34 -0.60 -0.07 0.00 1.23 0.00 0.00 39.78 40.69 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 -0.61 4.22 -0.20 1.20 0.04 -1.04 -4.87 135.00 133.74 2k45 s PRO 65 Ca 0.34 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 2k45 s PRO 65 Cb 0.11 -2.42 0.06 0.00 0.04 0.00 0.00 34.50 32.28 2k45 s PRO 65 CO -0.15 0.12 -0.02 0.14 0.04 0.00 0.00 177.00 177.13 2k45 s VAL 66 N -1.96 1.07 -0.22 -0.36 -7.23 -1.26 -2.36 120.40 108.07 2k45 s VAL 66 Ca 0.56 -0.85 -0.07 0.00 -1.81 0.00 0.00 61.98 59.81 2k45 s VAL 66 Cb -0.12 -1.40 -0.19 0.00 0.56 0.00 0.00 36.38 35.23 2k45 s VAL 66 CO 0.17 -0.09 -0.03 0.33 -0.31 0.00 0.00 175.10 175.17 2k45 n PHE 67 N 4.85 0.49 -3.09 2.82 -0.00 -0.08 -4.93 117.46 117.52 2k45 n PHE 67 Ca -0.11 0.13 -0.11 0.00 -0.00 0.00 0.00 57.45 57.37 2k45 n PHE 67 Cb 0.46 -1.06 0.01 0.00 -0.00 0.00 0.00 39.48 38.89 2k45 n PHE 67 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2k45 n ASN 68 N -3.67 -7.32 -4.12 -2.13 6.94 0.35 -5.00 115.26 100.31 2k45 n ASN 68 Ca -0.42 0.10 -0.33 0.00 -0.02 0.00 0.00 54.58 53.92 2k45 n ASN 68 Cb 0.95 -4.57 -0.16 0.00 -2.36 0.00 0.00 39.78 33.64 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2k45 s GLU 69 N -2.94 2.90 -0.34 -3.83 2.56 -1.06 -4.92 118.70 111.07 2k45 s GLU 69 Ca 0.16 -0.89 -0.26 0.00 0.00 0.00 0.00 54.97 53.97 2k45 s GLU 69 Cb -0.04 -2.63 0.01 0.00 2.00 0.00 0.00 34.13 33.48 2k45 s GLU 69 CO 0.79 -0.26 0.94 -0.65 -0.56 0.00 0.00 175.26 175.52 2k45 s GLN 70 N 1.27 3.92 -0.43 4.30 -1.52 -1.26 -2.15 119.66 123.79 2k45 s GLN 70 Ca 0.03 0.71 -0.12 0.00 -1.95 0.00 0.00 55.36 54.03 2k45 s GLN 70 Cb -0.14 -3.77 0.07 0.00 -0.22 0.00 0.00 33.01 28.95 2k45 s GLN 70 CO -0.12 -0.88 0.30 -0.06 -0.25 0.00 0.00 175.29 174.29 2k45 s PHE 71 N 3.41 3.30 0.37 0.91 0.08 -0.22 -4.92 117.98 120.92 2k45 s PHE 71 Ca 0.39 -1.26 -0.28 0.00 0.12 0.00 0.00 56.93 55.90 2k45 s PHE 71 Cb -0.12 -2.99 -0.11 0.00 -0.57 0.00 0.00 43.02 39.23 2k45 s PHE 71 CO 0.17 -0.81 1.47 0.99 -0.10 0.00 0.00 175.22 176.93 2k45 s THR 72 N 1.52 2.12 -0.25 0.64 2.01 -1.26 -0.77 115.64 119.64 2k45 s THR 72 Ca 0.03 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2k45 s THR 72 Cb -0.23 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.21 2k45 s THR 72 CO 0.04 0.03 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.62 2k45 s PHE 73 N -1.13 3.05 -1.51 4.92 0.08 0.26 -4.86 117.98 118.78 2k45 s PHE 73 Ca 0.53 -1.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.34 2k45 s PHE 73 Cb -0.46 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 39.86 2k45 s PHE 73 CO 0.62 -0.61 2.66 1.63 -0.10 0.00 0.00 175.22 179.42 2k45 n LYS 74 N 4.78 3.82 -3.69 0.44 4.76 -1.21 -2.29 118.16 124.76 2k45 n LYS 74 Ca -0.17 -2.65 -0.16 0.00 -2.87 0.00 0.00 58.31 52.46 2k45 n LYS 74 Cb 0.49 -2.83 -0.15 0.00 -1.84 0.00 0.00 35.03 30.69 2k45 n LYS 74 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2k45 s VAL 75 N 1.35 -0.20 0.69 -0.18 -7.23 -1.26 -4.70 120.40 108.88 2k45 s VAL 75 Ca 0.61 0.31 -0.16 0.00 -1.81 0.00 0.00 61.98 60.93 2k45 s VAL 75 Cb 0.17 -0.27 -0.00 0.00 0.56 0.00 0.00 36.38 36.84 2k45 s VAL 75 CO -0.07 0.13 1.00 -2.65 -0.31 0.00 0.00 175.10 173.20 2k45 n PRO 76 N 5.02 0.63 0.04 4.82 -0.02 -0.88 -3.50 135.00 141.11 2k45 n PRO 76 Ca -0.11 0.27 -0.01 0.00 -2.02 0.00 0.00 63.50 61.63 2k45 n PRO 76 Cb 0.50 -2.24 0.26 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.05 0.44 -0.29 6.00 -0.00 -1.93 0.26 116.97 121.40 2k45 h TYR 77 Ca -0.48 -0.08 0.06 0.00 -0.00 0.00 0.00 58.73 58.24 2k45 h TYR 77 Cb 1.34 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 37.94 2k45 h TYR 77 CO 0.39 0.58 0.20 0.66 -0.00 0.00 0.00 178.16 180.00 2k45 h SER 78 N 0.37 0.09 1.23 0.10 4.64 -1.98 -1.69 113.55 116.32 2k45 h SER 78 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2k45 h SER 78 Cb 0.55 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2k45 h SER 78 CO 0.04 0.06 -0.77 -0.33 -0.87 0.00 0.00 176.83 174.96 2k45 h GLU 79 N 0.11 0.00 -0.40 4.77 5.08 -0.95 -3.34 114.58 119.84 2k45 h GLU 79 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2k45 h GLU 79 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k45 h GLU 79 CO -0.01 0.01 0.17 1.25 -1.00 0.00 0.00 179.01 179.42 2k45 h LEU 80 N 0.00 0.51 -0.63 1.33 6.46 0.14 -2.86 115.31 120.25 2k45 h LEU 80 Ca -0.00 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.84 2k45 h LEU 80 Cb 1.02 -0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.70 2k45 h LEU 80 CO 0.00 0.46 -0.07 1.23 -0.62 0.00 0.00 178.44 179.44 2k45 h GLY 81 N 0.71 0.57 1.81 3.75 0.00 -1.67 -0.64 103.07 107.60 2k45 h GLY 81 Ca 0.14 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 2k45 h GLY 81 CO -0.02 -0.23 -0.33 -1.33 0.00 0.00 0.00 176.54 174.63 2k45 h GLY 82 N 0.06 0.23 -2.84 4.60 0.00 -1.77 -3.36 103.07 99.98 2k45 h GLY 82 Ca 0.32 -0.20 -0.50 0.00 0.00 0.00 0.00 47.33 46.96 2k45 h GLY 82 CO -0.59 0.18 0.09 0.54 0.00 0.00 0.00 176.54 176.75 2k45 s LYS 83 N -4.30 3.94 -0.10 4.80 -0.14 -0.25 -4.99 119.74 118.71 2k45 s LYS 83 Ca -0.05 0.60 0.01 0.00 -1.36 0.00 0.00 55.97 55.18 2k45 s LYS 83 Cb 0.14 -2.44 -0.02 0.00 -1.68 0.00 0.00 37.83 33.84 2k45 s LYS 83 CO 0.76 0.13 -0.15 0.95 -0.76 0.00 0.00 175.35 176.28 2k45 s THR 84 N -2.05 2.96 -0.25 2.17 -4.23 -1.26 -2.09 115.64 110.87 2k45 s THR 84 Ca 0.53 -0.72 -0.26 0.00 -1.18 0.00 0.00 61.69 60.07 2k45 s THR 84 Cb -0.10 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2k45 s THR 84 CO 0.20 0.55 0.89 -0.22 -0.54 0.00 0.00 174.62 175.50 2k45 s LEU 85 N 0.03 4.07 -0.07 4.79 0.20 0.54 -2.08 118.68 126.17 2k45 s LEU 85 Ca -0.05 1.07 0.04 0.00 0.69 0.00 0.00 54.13 55.88 2k45 s LEU 85 Cb -0.14 -3.28 -0.00 0.00 -0.43 0.00 0.00 46.19 42.34 2k45 s LEU 85 CO 0.04 -0.59 -0.20 0.68 -0.29 0.00 0.00 176.35 175.99 2k45 s VAL 86 N 2.99 1.72 0.03 1.68 -7.23 -0.83 -1.66 120.40 117.10 2k45 s VAL 86 Ca 0.37 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.75 2k45 s VAL 86 Cb -0.15 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 2k45 s VAL 86 CO 0.08 0.49 -0.16 -0.04 -0.31 0.00 0.00 175.10 175.16 2k45 s MET 87 N 0.21 1.08 -0.25 4.82 -1.94 -0.51 0.49 119.30 123.20 2k45 s MET 87 Ca -0.11 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.07 2k45 s MET 87 Cb -0.15 -1.11 0.08 0.00 2.01 0.00 0.00 34.83 35.66 2k45 s MET 87 CO 0.05 0.28 0.09 0.00 -0.01 0.00 0.00 175.02 175.43 2k45 s ALA 88 N -0.76 0.87 -0.27 3.03 0.00 0.18 0.11 121.76 124.91 2k45 s ALA 88 Ca 0.04 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 2k45 s ALA 88 Cb -0.08 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2k45 s ALA 88 CO 0.01 -1.44 1.41 0.08 0.00 0.00 0.00 175.76 175.82 2k45 s VAL 89 N 1.95 3.98 -0.05 0.00 1.01 0.34 0.14 120.40 127.77 2k45 s VAL 89 Ca 0.05 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.19 2k45 s VAL 89 Cb -0.17 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2k45 s VAL 89 CO -0.22 -0.42 -0.21 -0.47 0.00 0.00 0.00 175.10 173.79 2k45 s TYR 90 N 4.68 2.07 -0.06 5.22 5.04 0.34 -0.59 117.35 134.04 2k45 s TYR 90 Ca 0.62 -0.62 -0.17 0.00 -2.44 0.00 0.00 57.07 54.45 2k45 s TYR 90 Cb -0.19 -1.37 -0.05 0.00 0.35 0.00 0.00 41.96 40.69 2k45 s TYR 90 CO 0.25 -0.20 0.47 0.34 -1.34 0.00 0.00 175.55 175.07 2k45 s ASP 91 N -0.02 6.77 -0.87 4.32 -1.08 -1.24 -2.30 116.67 122.25 2k45 s ASP 91 Ca -0.05 0.91 -0.25 0.00 -0.52 0.00 0.00 52.55 52.65 2k45 s ASP 91 Cb -0.13 -2.29 0.05 0.00 -1.46 0.00 0.00 42.92 39.09 2k45 s ASP 91 CO 0.03 0.13 1.34 0.12 0.52 0.00 0.00 175.17 177.31 2k45 s PHE 92 N -0.08 2.45 -2.24 -5.34 5.36 -1.04 -4.72 117.98 112.37 2k45 s PHE 92 Ca 0.26 -0.49 0.20 0.00 -0.96 0.00 0.00 56.93 55.93 2k45 s PHE 92 Cb -0.16 -4.63 0.77 0.00 -0.34 0.00 0.00 43.02 38.66 2k45 s PHE 92 CO 0.12 -1.97 1.55 -0.25 -1.46 0.00 0.00 175.22 173.22 2k45 n ASP 93 N 8.95 1.51 0.00 6.13 9.92 -1.26 -4.61 116.55 137.19 2k45 n ASP 93 Ca 0.17 -1.69 0.00 0.00 -0.53 0.00 0.00 54.79 52.75 2k45 n ASP 93 Cb 0.50 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k45 n ARG 94 N 0.22 0.00 0.03 -1.24 1.74 -1.26 -3.19 116.66 112.96 2k45 n ARG 94 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2k45 n ARG 94 Cb 0.30 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 2k45 n ARG 94 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2k45 n PHE 95 N -0.68 -2.43 -1.35 -1.55 -1.74 -1.26 -5.12 117.46 103.33 2k45 n PHE 95 Ca 0.00 0.19 -0.29 0.00 -0.56 0.00 0.00 57.45 56.79 2k45 n PHE 95 Cb 0.00 0.90 0.13 0.00 1.52 0.00 0.00 39.48 42.03 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2k45 s SER 96 N -2.44 3.55 -0.04 5.98 1.04 -1.19 -4.95 113.70 115.65 2k45 s SER 96 Ca 0.00 1.28 -0.30 0.00 0.48 0.00 0.00 55.95 57.41 2k45 s SER 96 Cb 0.00 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 64.12 2k45 s SER 96 CO 0.00 -2.56 1.41 -0.54 0.98 0.00 0.00 173.24 172.53 2k45 s LYS 97 N -5.06 4.26 -0.12 4.02 1.02 -1.26 -4.68 119.74 117.92 2k45 s LYS 97 Ca 0.63 1.94 -0.29 0.00 0.02 0.00 0.00 55.97 58.27 2k45 s LYS 97 Cb -0.17 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 2k45 s LYS 97 CO 0.56 -0.64 1.75 -1.01 -0.92 0.00 0.00 175.35 175.09 2k45 s HIS 98 N 2.84 1.82 -0.04 3.18 3.76 -1.26 -4.99 115.29 120.61 2k45 s HIS 98 Ca 0.64 0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 55.63 2k45 s HIS 98 Cb -0.30 -3.99 -0.05 0.00 1.11 0.00 0.00 32.58 29.35 2k45 s HIS 98 CO 0.25 -3.79 0.53 0.34 -0.85 0.00 0.00 174.74 171.22 2k45 s ASP 99 N 4.44 6.85 0.07 1.40 2.15 -1.26 -4.93 116.67 125.38 2k45 s ASP 99 Ca 0.78 1.01 -0.31 0.00 0.43 0.00 0.00 52.55 54.47 2k45 s ASP 99 Cb -0.31 -2.32 -0.09 0.00 -0.30 0.00 0.00 42.92 39.90 2k45 s ASP 99 CO 0.32 0.09 1.71 -0.63 -0.17 0.00 0.00 175.17 176.49 2k45 s ILE 100 N -0.01 2.98 0.03 4.11 1.09 -1.26 -3.60 121.20 124.53 2k45 s ILE 100 Ca 0.28 0.39 -0.18 0.00 -1.10 0.00 0.00 60.65 60.04 2k45 s ILE 100 Cb -0.17 -3.25 -0.23 0.00 -1.06 0.00 0.00 42.46 37.75 2k45 s ILE 100 CO 0.14 -0.01 1.14 0.16 -0.10 0.00 0.00 174.94 176.27 2k45 h ILE 101 N 4.89 1.37 -2.69 2.92 3.07 -1.07 -3.40 117.51 122.60 2k45 h ILE 101 Ca -0.43 -2.13 0.10 0.00 1.55 0.00 0.00 64.86 63.95 2k45 h ILE 101 Cb 1.20 2.50 -0.04 0.00 -0.27 0.00 0.00 36.82 40.22 2k45 h ILE 101 CO 0.94 0.63 0.42 -0.83 -1.05 0.00 0.00 178.15 178.26 2k45 s GLY 102 N -4.15 0.08 0.19 0.16 0.00 -0.58 -4.13 107.32 98.90 2k45 s GLY 102 Ca -0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 2k45 s GLY 102 CO 0.86 0.70 0.43 1.85 0.00 0.00 0.00 173.10 176.93 2k45 s GLU 103 N -2.70 1.33 -0.01 2.90 2.12 0.53 0.13 118.70 123.00 2k45 s GLU 103 Ca 0.16 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2k45 s GLU 103 Cb -0.04 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.82 2k45 s GLU 103 CO 0.07 -0.54 -0.00 0.12 -0.54 0.00 0.00 175.26 174.37 2k45 s PHE 104 N -3.94 0.16 -0.15 5.30 2.19 0.12 0.12 117.98 121.78 2k45 s PHE 104 Ca 0.15 0.00 -0.02 0.00 0.33 0.00 0.00 56.93 57.39 2k45 s PHE 104 Cb 0.01 -0.18 0.05 0.00 -1.31 0.00 0.00 43.02 41.58 2k45 s PHE 104 CO 0.01 -0.04 0.01 0.21 1.83 0.00 0.00 175.22 177.23 2k45 s LYS 105 N 0.36 0.75 -0.20 10.12 2.47 -1.26 -1.43 119.74 130.55 2k45 s LYS 105 Ca -0.03 -0.25 -0.04 0.00 -1.56 0.00 0.00 55.97 54.08 2k45 s LYS 105 Cb -0.05 -1.71 0.10 0.00 -1.46 0.00 0.00 37.83 34.71 2k45 s LYS 105 CO -0.01 -0.49 0.34 0.08 0.16 0.00 0.00 175.35 175.43 2k45 s VAL 106 N 1.87 -0.54 0.07 4.02 1.01 -0.66 -5.05 120.40 121.12 2k45 s VAL 106 Ca 0.01 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 2k45 s VAL 106 Cb -0.15 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 2k45 s VAL 106 CO -0.07 -0.03 1.65 -2.16 0.00 0.00 0.00 175.10 174.49 2k45 s PRO 107 N 2.50 4.20 0.54 2.72 0.04 -1.26 -0.34 135.00 143.40 2k45 s PRO 107 Ca 0.06 2.33 0.23 0.00 0.04 0.00 0.00 61.00 63.66 2k45 s PRO 107 Cb -0.14 -3.58 1.49 0.00 0.04 0.00 0.00 34.50 32.31 2k45 s PRO 107 CO -0.13 -0.73 2.17 0.52 0.04 0.00 0.00 177.00 178.87 2k45 h MET 108 N 8.27 0.00 0.00 4.56 2.86 -1.64 0.61 114.93 129.60 2k45 h MET 108 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2k45 h MET 108 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k45 h MET 108 CO 0.93 0.03 0.00 -2.95 1.06 0.00 0.00 176.91 175.98 2k45 h ASN 109 N 0.00 0.00 0.48 1.22 7.08 -1.64 -2.90 115.58 119.82 2k45 h ASN 109 Ca -0.00 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.93 2k45 h ASN 109 Cb 0.07 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.26 2k45 h ASN 109 CO 0.00 0.00 -1.72 0.41 -2.08 0.00 0.00 177.43 174.05 2k45 n THR 110 N -3.03 1.57 -3.36 6.14 -1.04 0.20 -4.71 114.28 110.06 2k45 n THR 110 Ca -0.00 -0.79 -0.41 0.00 -2.04 0.00 0.00 64.05 60.81 2k45 n THR 110 Cb 0.25 -0.99 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 2k45 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k45 s VAL 111 N -2.62 5.13 -0.48 12.58 1.01 -1.10 -5.03 120.40 129.90 2k45 s VAL 111 Ca -0.05 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2k45 s VAL 111 Cb 0.08 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2k45 s VAL 111 CO 0.82 -0.09 1.32 -1.81 0.00 0.00 0.00 175.10 175.35 2k45 s ASP 112 N 1.73 6.38 -1.14 3.32 1.01 -1.26 -4.89 116.67 121.81 2k45 s ASP 112 Ca 0.14 0.56 -0.04 0.00 0.71 0.00 0.00 52.55 53.92 2k45 s ASP 112 Cb -0.16 -2.54 0.26 0.00 1.01 0.00 0.00 42.92 41.48 2k45 s ASP 112 CO 0.12 -1.45 1.87 0.49 0.21 0.00 0.00 175.17 176.40 2k45 n PHE 113 N 8.71 2.60 -0.04 4.23 3.72 -1.26 -4.59 117.46 130.83 2k45 n PHE 113 Ca 0.14 -2.64 -0.12 0.00 -0.05 0.00 0.00 57.45 54.77 2k45 n PHE 113 Cb 0.49 -1.44 -0.11 0.00 -0.94 0.00 0.00 39.48 37.48 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2k45 h GLY 114 N 5.27 -0.03 0.00 1.37 0.00 -1.97 -3.44 103.07 104.27 2k45 h GLY 114 Ca 0.47 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2k45 h GLY 114 CO 1.34 -0.01 0.00 -2.39 0.00 0.00 0.00 176.54 175.48 2k45 n HIS 115 N -4.72 0.00 -4.25 5.60 -0.00 -1.26 -4.73 115.22 105.87 2k45 n HIS 115 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.29 2k45 n HIS 115 Cb 0.36 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.21 2k45 n HIS 115 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k45 s VAL 116 N 4.17 3.10 -0.20 0.61 0.11 -1.26 -3.55 120.40 123.37 2k45 s VAL 116 Ca 0.00 -0.61 -0.19 0.00 -2.93 0.00 0.00 61.98 58.25 2k45 s VAL 116 Cb 0.00 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2k45 s VAL 116 CO 0.00 0.48 0.57 -0.89 -3.33 0.00 0.00 175.10 171.92 2k45 s THR 117 N 1.04 5.07 -0.26 5.04 2.01 0.20 -4.89 115.64 123.84 2k45 s THR 117 Ca -0.00 1.05 -0.00 0.00 0.31 0.00 0.00 61.69 63.04 2k45 s THR 117 Cb -0.15 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.52 2k45 s THR 117 CO -0.01 0.14 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.39 2k45 s GLU 118 N 1.80 2.57 0.15 4.92 2.02 -1.26 0.10 118.70 128.99 2k45 s GLU 118 Ca 0.26 -1.15 -0.24 0.00 0.02 0.00 0.00 54.97 53.86 2k45 s GLU 118 Cb -0.16 -3.00 0.07 0.00 0.10 0.00 0.00 34.13 31.15 2k45 s GLU 118 CO 0.10 -0.50 0.66 -1.83 0.02 0.00 0.00 175.26 173.71 2k45 s GLU 119 N 1.24 1.26 -0.51 1.61 -1.05 -0.46 -4.98 118.70 115.82 2k45 s GLU 119 Ca -0.04 -0.50 -0.24 0.00 -0.15 0.00 0.00 54.97 54.04 2k45 s GLU 119 Cb -0.18 0.56 0.04 0.00 -0.44 0.00 0.00 34.13 34.10 2k45 s GLU 119 CO -0.04 -0.56 0.89 -1.58 0.95 0.00 0.00 175.26 174.92 2k45 s TRP 120 N -3.66 2.87 -0.05 4.83 0.23 -1.26 -2.13 118.94 119.77 2k45 s TRP 120 Ca 0.03 0.08 0.01 0.00 -2.03 0.00 0.00 56.10 54.19 2k45 s TRP 120 Cb -0.02 -3.94 -0.03 0.00 0.03 0.00 0.00 33.47 29.52 2k45 s TRP 120 CO -0.10 -1.21 -0.07 0.50 0.96 0.00 0.00 176.95 177.03 2k45 s ARG 121 N 3.70 2.69 -0.08 4.98 6.06 -1.01 -4.95 118.95 130.35 2k45 s ARG 121 Ca 0.31 -0.59 -0.17 0.00 -2.50 0.00 0.00 55.73 52.78 2k45 s ARG 121 Cb -0.12 -2.56 -0.05 0.00 0.06 0.00 0.00 34.95 32.28 2k45 s ARG 121 CO 0.21 0.65 0.46 0.16 -2.50 0.00 0.00 175.30 174.28 2k45 s ASP 122 N -0.91 6.74 -0.55 -2.12 -4.77 -1.26 0.11 116.67 113.91 2k45 s ASP 122 Ca 0.13 0.87 -0.19 0.00 -3.30 0.00 0.00 52.55 50.07 2k45 s ASP 122 Cb -0.11 -2.28 0.08 0.00 -1.09 0.00 0.00 42.92 39.52 2k45 s ASP 122 CO 0.02 0.10 0.66 -0.22 0.70 0.00 0.00 175.17 176.44 2k45 s LEU 123 N 0.09 5.19 0.05 2.11 2.96 -0.93 -4.80 118.68 123.35 2k45 s LEU 123 Ca 0.25 -1.19 -0.26 0.00 -0.22 0.00 0.00 54.13 52.71 2k45 s LEU 123 Cb -0.16 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2k45 s LEU 123 CO 0.11 -1.01 0.80 0.00 -1.32 0.00 0.00 176.35 174.94 2k45 s GLN 124 N 2.65 4.53 0.06 1.98 -2.07 0.33 -3.61 119.66 123.53 2k45 s GLN 124 Ca 0.13 1.13 -0.31 0.00 -1.82 0.00 0.00 55.36 54.49 2k45 s GLN 124 Cb -0.22 -3.37 -0.08 0.00 -1.09 0.00 0.00 33.01 28.25 2k45 s GLN 124 CO 0.09 0.27 1.64 -1.12 -1.32 0.00 0.00 175.29 174.85 2k45 s SER 125 N -0.04 6.62 -0.11 12.60 0.01 -1.26 0.20 113.70 131.72 2k45 s SER 125 Ca 0.40 2.46 -0.15 0.00 1.31 0.00 0.00 55.95 59.97 2k45 s SER 125 Cb -0.21 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 2k45 s SER 125 CO 0.24 -0.88 0.35 0.00 0.41 0.00 0.00 173.24 173.37 2k45 s ALA 126 N 2.69 3.61 -1.13 1.44 0.00 -1.26 -4.74 121.76 122.38 2k45 s ALA 126 Ca 0.73 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2k45 s ALA 126 Cb -0.39 -2.42 0.25 0.00 0.00 0.00 0.00 23.12 20.56 2k45 s ALA 126 CO 0.32 0.20 1.18 -2.00 0.00 0.00 0.00 175.76 175.46 2k45 s GLU 127 N 0.03 4.16 0.00 0.00 2.12 -1.26 -4.48 118.70 119.27 2k45 s GLU 127 Ca 0.20 -3.05 0.10 0.00 0.36 0.00 0.00 54.97 52.58 2k45 s GLU 127 Cb -0.14 -4.67 0.08 0.00 0.26 0.00 0.00 34.13 29.65 2k45 s GLU 127 CO 0.08 -1.37 0.81 1.17 -0.54 0.00 0.00 175.26 175.41