#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 -2.50 0.11 3.49 4.76 -1.26 -4.88 118.16 117.87 2k45 n LYS 2 Ca 0.00 2.19 0.13 0.00 -2.87 0.00 0.00 58.31 57.76 2k45 n LYS 2 Cb 0.00 -5.53 0.33 0.00 -1.84 0.00 0.00 35.03 28.00 2k45 n LYS 2 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2k45 h LEU 3 N 2.11 0.00 0.00 -0.35 -0.00 -1.59 -3.48 115.31 112.00 2k45 h LEU 3 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2k45 h LEU 3 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2k45 h LEU 3 CO 0.18 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.25 2k45 n GLY 4 N 1.29 -1.16 3.16 0.83 0.00 -1.25 -3.83 105.19 104.24 2k45 n GLY 4 Ca 0.05 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 0.88 -0.20 1.61 1.02 -1.25 -0.07 119.74 121.73 2k45 s LYS 5 Ca 0.00 -1.39 -0.04 0.00 0.02 0.00 0.00 55.97 54.56 2k45 s LYS 5 Cb 0.00 0.00 0.08 0.00 -0.52 0.00 0.00 37.83 37.40 2k45 s LYS 5 CO 0.00 -0.14 0.16 -0.48 -0.92 0.00 0.00 175.35 173.97 2k45 s LEU 6 N -3.05 0.11 0.02 3.17 2.34 0.28 -0.86 118.68 120.68 2k45 s LEU 6 Ca 0.17 -0.45 -0.20 0.00 0.06 0.00 0.00 54.13 53.72 2k45 s LEU 6 Cb 0.07 0.09 -0.06 0.00 -0.56 0.00 0.00 46.19 45.73 2k45 s LEU 6 CO -0.02 -0.34 0.58 -1.10 -1.06 0.00 0.00 176.35 174.41 2k45 s GLN 7 N 2.24 4.28 0.13 1.48 1.11 -0.92 -2.21 119.66 125.77 2k45 s GLN 7 Ca 0.05 0.73 0.00 0.00 0.01 0.00 0.00 55.36 56.16 2k45 s GLN 7 Cb -0.16 -3.31 -0.04 0.00 -1.01 0.00 0.00 33.01 28.49 2k45 s GLN 7 CO -0.12 0.46 0.01 1.52 0.01 0.00 0.00 175.29 177.16 2k45 s TYR 8 N -0.49 0.95 -0.26 0.91 -0.85 -1.00 0.12 117.35 116.73 2k45 s TYR 8 Ca 0.30 -1.09 -0.03 0.00 -0.52 0.00 0.00 57.07 55.73 2k45 s TYR 8 Cb -0.19 -0.55 0.09 0.00 0.38 0.00 0.00 41.96 41.69 2k45 s TYR 8 CO 0.18 -0.34 0.10 -1.54 -1.52 0.00 0.00 175.55 172.43 2k45 s SER 9 N -3.08 3.36 -0.14 -0.18 1.04 -0.21 -2.73 113.70 111.76 2k45 s SER 9 Ca 0.20 -1.18 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 2k45 s SER 9 Cb 0.07 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.67 2k45 s SER 9 CO 0.00 -0.40 -0.00 -0.76 0.98 0.00 0.00 173.24 173.06 2k45 s LEU 10 N 1.96 3.49 0.33 2.42 2.01 0.69 -2.61 118.68 126.97 2k45 s LEU 10 Ca 0.06 0.01 0.04 0.00 0.01 0.00 0.00 54.13 54.25 2k45 s LEU 10 Cb -0.16 -1.83 -0.06 0.00 0.01 0.00 0.00 46.19 44.15 2k45 s LEU 10 CO -0.25 0.25 0.07 -0.62 1.01 0.00 0.00 176.35 176.80 2k45 s ASP 11 N -0.10 2.35 -0.11 2.29 2.15 0.16 0.12 116.67 123.54 2k45 s ASP 11 Ca 0.04 -1.42 0.02 0.00 0.43 0.00 0.00 52.55 51.62 2k45 s ASP 11 Cb -0.13 0.02 0.01 0.00 -0.30 0.00 0.00 42.92 42.52 2k45 s ASP 11 CO 0.02 -0.66 -0.16 -0.72 -0.17 0.00 0.00 175.17 173.48 2k45 s TYR 12 N -3.32 2.06 -0.53 -5.34 1.13 -1.24 0.10 117.35 110.21 2k45 s TYR 12 Ca 0.35 -0.97 -0.16 0.00 -1.41 0.00 0.00 57.07 54.87 2k45 s TYR 12 Cb 0.08 -1.47 0.12 0.00 -1.10 0.00 0.00 41.96 39.59 2k45 s TYR 12 CO 0.15 -0.49 0.49 0.34 -2.51 0.00 0.00 175.55 173.53 2k45 s ASP 13 N 0.96 6.18 0.20 -0.18 -1.08 -1.05 -4.95 116.67 116.76 2k45 s ASP 13 Ca -0.07 -1.71 0.21 0.00 -0.52 0.00 0.00 52.55 50.46 2k45 s ASP 13 Cb -0.15 -2.21 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2k45 s ASP 13 CO -0.01 -0.83 1.07 0.15 0.52 0.00 0.00 175.17 176.07 2k45 h PHE 14 N 8.87 0.00 -0.33 -5.34 3.57 -1.96 -2.22 116.94 119.54 2k45 h PHE 14 Ca -0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2k45 h PHE 14 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2k45 h PHE 14 CO 0.72 0.13 0.00 0.00 -2.23 0.00 0.00 178.31 176.93 2k45 n GLN 15 N -2.78 2.45 -0.02 1.11 0.00 -1.26 -0.66 117.38 116.22 2k45 n GLN 15 Ca -0.01 -1.47 0.05 0.00 0.00 0.00 0.00 57.00 55.56 2k45 n GLN 15 Cb 0.61 -1.61 0.05 0.00 0.00 0.00 0.00 30.24 29.30 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 0.44 1.95 -3.64 2.61 0.23 -1.20 -5.02 115.26 110.63 2k45 n ASN 16 Ca 0.13 -1.49 -0.25 0.00 -0.53 0.00 0.00 54.58 52.44 2k45 n ASN 16 Cb 0.54 -0.03 0.04 0.00 -2.08 0.00 0.00 39.78 38.25 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 0.52 -3.92 -4.05 0.53 3.02 0.16 -5.02 115.26 106.51 2k45 n ASN 17 Ca 0.06 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 2k45 n ASN 17 Cb 0.27 -3.86 -0.12 0.00 -0.61 0.00 0.00 39.78 35.46 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 -5.76 0.52 0.41 3.52 -2.07 -0.85 -3.31 119.66 112.12 2k45 s GLN 18 Ca 0.30 -0.71 -0.05 0.00 -1.82 0.00 0.00 55.36 53.08 2k45 s GLN 18 Cb -0.09 -0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 31.48 2k45 s GLN 18 CO 0.83 0.06 0.69 -0.51 -1.32 0.00 0.00 175.29 175.04 2k45 s LEU 19 N -1.46 3.81 -0.05 2.60 1.43 0.29 -2.52 118.68 122.77 2k45 s LEU 19 Ca -0.09 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2k45 s LEU 19 Cb -0.09 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2k45 s LEU 19 CO 0.00 -0.43 -0.14 -0.76 0.23 0.00 0.00 176.35 175.25 2k45 s LEU 20 N -4.32 1.79 -0.59 1.79 1.43 0.28 -2.38 118.68 116.68 2k45 s LEU 20 Ca 0.46 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2k45 s LEU 20 Cb -0.10 -0.88 0.16 0.00 0.03 0.00 0.00 46.19 45.39 2k45 s LEU 20 CO 0.39 0.09 0.40 -0.69 0.23 0.00 0.00 176.35 176.77 2k45 s VAL 21 N 0.35 2.18 -0.82 -1.59 1.01 -0.69 0.39 120.40 121.24 2k45 s VAL 21 Ca -0.09 -3.62 -0.17 0.00 0.00 0.00 0.00 61.98 58.09 2k45 s VAL 21 Cb -0.13 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 33.94 2k45 s VAL 21 CO 0.03 -1.01 0.92 -0.83 0.00 0.00 0.00 175.10 174.22 2k45 s GLY 22 N -0.78 2.11 0.00 4.51 0.00 -1.07 0.79 107.32 112.87 2k45 s GLY 22 Ca 0.24 -2.80 0.00 0.00 0.00 0.00 0.00 44.72 42.17 2k45 s GLY 22 CO -0.13 1.69 0.00 1.39 0.00 0.00 0.00 173.10 176.05 2k45 n ILE 23 N 5.05 0.00 0.00 0.90 5.41 -0.44 -1.05 119.36 129.23 2k45 n ILE 23 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2k45 n ILE 23 Cb 0.47 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 -0.18 0.00 -3.63 1.39 5.41 0.32 -3.22 119.36 119.45 2k45 n ILE 24 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 2k45 n ILE 24 Cb 0.00 -0.68 -0.06 0.00 -0.71 0.00 0.00 39.64 38.19 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k45 s GLN 25 N -0.60 0.95 0.04 0.38 1.03 -1.23 0.99 119.66 121.21 2k45 s GLN 25 Ca 0.00 -0.24 0.02 0.00 0.04 0.00 0.00 55.36 55.18 2k45 s GLN 25 Cb 0.00 0.43 -0.04 0.00 0.03 0.00 0.00 33.01 33.43 2k45 s GLN 25 CO 0.00 -0.33 0.07 0.00 -2.54 0.00 0.00 175.29 172.49 2k45 s ALA 26 N -2.23 3.52 -0.08 2.60 0.00 -1.12 -2.16 121.76 122.30 2k45 s ALA 26 Ca -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2k45 s ALA 26 Cb -0.01 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2k45 s ALA 26 CO -0.00 0.71 -0.11 0.00 0.00 0.00 0.00 175.76 176.36 2k45 s ALA 27 N -1.27 1.30 -1.26 0.00 0.00 -0.04 -2.88 121.76 117.61 2k45 s ALA 27 Ca 0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2k45 s ALA 27 Cb -0.12 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2k45 s ALA 27 CO 0.17 -0.05 0.81 0.39 0.00 0.00 0.00 175.76 177.08 2k45 n GLU 28 N 4.16 -5.32 -3.23 0.00 1.02 -1.20 -3.94 120.64 112.14 2k45 n GLU 28 Ca -0.20 0.70 -0.28 0.00 -0.02 0.00 0.00 57.16 57.37 2k45 n GLU 28 Cb 0.51 -5.41 -0.02 0.00 -0.02 0.00 0.00 31.44 26.49 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 -6.52 3.98 0.43 -4.62 1.02 -1.25 -4.70 118.68 107.03 2k45 s LEU 29 Ca 0.03 0.71 -0.24 0.00 0.02 0.00 0.00 54.13 54.65 2k45 s LEU 29 Cb -0.01 -3.56 -0.10 0.00 0.02 0.00 0.00 46.19 42.55 2k45 s LEU 29 CO 0.78 -0.28 1.08 -0.81 0.02 0.00 0.00 176.35 177.14 2k45 n PRO 30 N -1.31 1.47 -3.12 1.29 -0.04 -1.26 -4.75 135.00 127.28 2k45 n PRO 30 Ca -0.02 0.53 -0.40 0.00 -0.04 0.00 0.00 63.50 63.57 2k45 n PRO 30 Cb 0.55 -2.14 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k45 s ALA 31 N -1.27 3.46 -0.34 0.55 0.00 -1.26 -4.73 121.76 118.16 2k45 s ALA 31 Ca 0.64 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.56 2k45 s ALA 31 Cb -0.53 -2.91 0.46 0.00 0.00 0.00 0.00 23.12 20.13 2k45 s ALA 31 CO 0.56 -0.29 1.37 1.28 0.00 0.00 0.00 175.76 178.68 2k45 n LEU 32 N 4.34 5.03 -3.99 0.00 7.99 -0.88 -4.80 117.00 124.69 2k45 n LEU 32 Ca -0.02 -4.45 -0.08 0.00 -0.01 0.00 0.00 56.01 51.45 2k45 n LEU 32 Cb 0.51 -0.51 -0.09 0.00 -0.11 0.00 0.00 43.42 43.21 2k45 n LEU 32 CO 0.45 1.81 -0.27 -0.62 -1.51 0.00 0.00 177.39 177.25 2k45 s ASP 33 N -3.12 0.31 -1.46 -1.43 2.15 0.25 -4.64 116.67 108.73 2k45 s ASP 33 Ca 0.51 -0.75 -0.12 0.00 0.43 0.00 0.00 52.55 52.62 2k45 s ASP 33 Cb 0.42 0.22 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 2k45 s ASP 33 CO 0.01 -0.57 2.34 0.80 -0.17 0.00 0.00 175.17 177.59 2k45 n MET 34 N 0.42 3.28 -0.22 4.34 0.00 -1.26 -2.75 117.12 120.92 2k45 n MET 34 Ca -0.17 -2.72 0.00 0.00 -0.00 0.00 0.00 57.70 54.81 2k45 n MET 34 Cb 0.60 -3.08 0.00 0.00 0.00 0.00 0.00 33.22 30.74 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 3.62 0.48 3.69 -5.12 0.00 -1.26 -4.96 105.19 101.65 2k45 n GLY 35 Ca 0.56 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 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 3.26 -0.02 0.00 -1.11 -4.98 105.19 101.83 2k45 n GLY 36 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.26 0.10 0.24 2.61 -4.23 -1.24 -4.84 115.64 105.02 2k45 s THR 37 Ca 0.59 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 2k45 s THR 37 Cb -0.28 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 2k45 s THR 37 CO 0.73 0.00 -0.05 -0.55 -0.54 0.00 0.00 174.62 174.21 2k45 s SER 38 N -3.28 2.25 -0.76 3.99 0.15 -1.26 -0.58 113.70 114.20 2k45 s SER 38 Ca 0.39 -1.17 0.03 0.00 0.70 0.00 0.00 55.95 55.90 2k45 s SER 38 Cb 0.05 -0.07 0.23 0.00 -1.71 0.00 0.00 66.02 64.51 2k45 s SER 38 CO 0.18 -0.40 0.76 0.47 1.20 0.00 0.00 173.24 175.45 2k45 n ASP 39 N -0.46 3.92 -4.36 5.45 9.92 -1.26 -0.81 116.55 128.95 2k45 n ASP 39 Ca -0.06 -3.31 -0.42 0.00 -0.53 0.00 0.00 54.79 50.46 2k45 n ASP 39 Cb 0.63 -0.84 -0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 1.51 0.20 -3.65 -0.24 -0.04 -1.26 -2.86 135.00 128.67 2k45 n PRO 40 Ca 0.25 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2k45 n PRO 40 Cb 0.38 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.53 -1.00 -0.25 0.54 6.14 -0.51 -3.29 117.35 117.45 2k45 s TYR 41 Ca 0.61 1.96 -0.09 0.00 0.64 0.00 0.00 57.07 60.20 2k45 s TYR 41 Cb -0.66 0.57 -0.04 0.00 0.42 0.00 0.00 41.96 42.25 2k45 s TYR 41 CO 0.60 -0.51 0.11 0.08 0.64 0.00 0.00 175.55 176.47 2k45 s VAL 42 N 1.85 4.72 -0.06 3.14 1.01 -1.26 0.56 120.40 130.36 2k45 s VAL 42 Ca -0.09 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2k45 s VAL 42 Cb -0.07 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2k45 s VAL 42 CO -0.18 0.33 0.85 -0.54 0.00 0.00 0.00 175.10 175.57 2k45 s LYS 43 N 1.44 4.46 -0.16 2.72 1.02 0.28 -3.11 119.74 126.39 2k45 s LYS 43 Ca 0.06 1.15 -0.05 0.00 0.02 0.00 0.00 55.97 57.15 2k45 s LYS 43 Cb -0.15 -3.48 0.06 0.00 -0.52 0.00 0.00 37.83 33.74 2k45 s LYS 43 CO 0.05 -0.07 0.08 0.14 -0.92 0.00 0.00 175.35 174.64 2k45 s VAL 44 N 1.19 -0.07 0.24 3.17 -7.23 -1.21 0.16 120.40 116.65 2k45 s VAL 44 Ca 0.44 -0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.27 2k45 s VAL 44 Cb -0.19 -0.55 0.04 0.00 0.56 0.00 0.00 36.38 36.24 2k45 s VAL 44 CO 0.21 -0.23 0.82 0.72 -0.31 0.00 0.00 175.10 176.31 2k45 s PHE 45 N 2.13 -0.14 0.39 2.82 -0.71 -1.13 -1.96 117.98 119.37 2k45 s PHE 45 Ca 0.02 -0.27 0.04 0.00 -1.04 0.00 0.00 56.93 55.68 2k45 s PHE 45 Cb -0.16 0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 2k45 s PHE 45 CO -0.08 -1.10 0.06 -0.51 -1.34 0.00 0.00 175.22 172.24 2k45 s LEU 46 N -2.95 2.29 0.00 -1.99 1.43 0.10 -3.13 118.68 114.43 2k45 s LEU 46 Ca 0.12 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2k45 s LEU 46 Cb -0.04 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.70 2k45 s LEU 46 CO 0.06 -0.68 0.00 0.18 0.23 0.00 0.00 176.35 176.13 2k45 n LEU 47 N -0.88 0.00 0.00 1.79 4.77 -1.26 -2.63 117.00 118.80 2k45 n LEU 47 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2k45 n LEU 47 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2k45 n LEU 47 CO 0.42 -0.78 0.12 -2.65 -1.33 0.00 0.00 177.39 173.17 2k45 n PRO 48 N -1.16 0.00 0.23 3.23 -0.02 -1.26 0.81 135.00 136.83 2k45 n PRO 48 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 2k45 n PRO 48 Cb 0.00 -1.10 0.81 0.00 -0.02 0.00 0.00 33.50 33.19 2k45 n PRO 48 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k45 h ASP 49 N 0.00 0.00 0.00 2.55 3.32 -1.93 -3.45 116.42 116.91 2k45 h ASP 49 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k45 h ASP 49 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2k45 h ASP 49 CO 0.00 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 179.81 2k45 n LYS 50 N -2.55 0.00 -1.79 3.56 -0.00 0.24 -4.86 118.16 112.77 2k45 n LYS 50 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.88 2k45 n LYS 50 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.07 2k45 n LYS 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2k45 n LYS 51 N 0.00 3.37 -3.87 -1.58 -0.00 -0.45 0.00 118.16 115.63 2k45 n LYS 51 Ca 0.00 -2.79 -0.33 0.00 -0.00 0.00 0.00 58.31 55.19 2k45 n LYS 51 Cb 0.00 -3.04 -0.13 0.00 -0.00 0.00 0.00 35.03 31.86 2k45 n LYS 51 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2k45 s LYS 52 N 1.96 2.05 -0.52 -1.58 1.02 -1.26 -4.90 119.74 116.50 2k45 s LYS 52 Ca 0.51 -2.34 -0.28 0.00 0.02 0.00 0.00 55.97 53.88 2k45 s LYS 52 Cb 0.14 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2k45 s LYS 52 CO -0.06 -1.09 1.51 -1.59 -0.92 0.00 0.00 175.35 173.19 2k45 s LYS 53 N 0.20 3.26 0.53 1.68 -2.85 -1.26 -4.14 119.74 117.16 2k45 s LYS 53 Ca 0.15 0.63 0.07 0.00 -1.00 0.00 0.00 55.97 55.82 2k45 s LYS 53 Cb -0.23 -4.15 0.06 0.00 -2.06 0.00 0.00 37.83 31.45 2k45 s LYS 53 CO -0.03 -1.98 0.73 0.12 0.10 0.00 0.00 175.35 174.29 2k45 s PHE 54 N 6.43 2.08 -0.15 1.78 5.36 -0.83 -4.95 117.98 127.70 2k45 s PHE 54 Ca 0.58 -0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 55.97 2k45 s PHE 54 Cb -0.13 -2.41 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2k45 s PHE 54 CO 0.26 -0.93 0.36 -1.83 -1.46 0.00 0.00 175.22 171.63 2k45 s GLU 55 N -4.62 0.37 0.56 10.12 -1.05 -1.26 -3.36 118.70 119.47 2k45 s GLU 55 Ca 0.59 0.64 -0.18 0.00 -0.15 0.00 0.00 54.97 55.88 2k45 s GLU 55 Cb -0.08 0.04 -0.05 0.00 -0.44 0.00 0.00 34.13 33.60 2k45 s GLU 55 CO 0.37 -0.12 1.09 0.99 0.95 0.00 0.00 175.26 178.55 2k45 s THR 56 N 0.97 3.42 0.35 1.83 2.01 -1.18 -4.94 115.64 118.08 2k45 s THR 56 Ca -0.06 0.80 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 2k45 s THR 56 Cb -0.07 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 2k45 s THR 56 CO -0.07 -0.27 1.28 -0.75 -0.69 0.00 0.00 174.62 174.11 2k45 s LYS 57 N -3.57 4.28 -0.01 4.92 2.20 -1.26 -4.64 119.74 121.66 2k45 s LYS 57 Ca 0.69 2.14 -0.30 0.00 -0.36 0.00 0.00 55.97 58.13 2k45 s LYS 57 Cb -0.20 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2k45 s LYS 57 CO 0.30 -0.22 1.08 0.14 -0.36 0.00 0.00 175.35 176.29 2k45 s VAL 58 N -1.19 4.53 -0.61 4.02 -7.23 -1.26 -4.74 120.40 113.92 2k45 s VAL 58 Ca 0.51 1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 62.36 2k45 s VAL 58 Cb -0.38 -4.17 0.15 0.00 0.56 0.00 0.00 36.38 32.55 2k45 s VAL 58 CO 0.50 0.10 0.54 -1.00 -0.31 0.00 0.00 175.10 174.92 2k45 s HIS 59 N 1.39 3.42 -0.00 2.82 0.09 -1.21 -4.96 115.29 116.84 2k45 s HIS 59 Ca 0.54 -1.64 -0.30 0.00 -0.00 0.00 0.00 55.06 53.66 2k45 s HIS 59 Cb -0.23 -3.72 -0.05 0.00 -0.00 0.00 0.00 32.58 28.57 2k45 s HIS 59 CO 0.26 -1.00 1.35 1.03 -0.00 0.00 0.00 174.74 176.38 2k45 s ARG 60 N 1.12 4.30 -1.19 1.40 3.00 -1.26 -2.91 118.95 123.41 2k45 s ARG 60 Ca 0.08 1.91 -0.05 0.00 0.00 0.00 0.00 55.73 57.67 2k45 s ARG 60 Cb -0.24 -3.54 0.01 0.00 0.00 0.00 0.00 34.95 31.17 2k45 s ARG 60 CO -0.01 -0.53 1.02 1.63 0.00 0.00 0.00 175.30 177.41 2k45 n LYS 61 N 5.20 -6.82 -3.52 3.54 4.76 -1.13 -5.00 118.16 115.19 2k45 n LYS 61 Ca 0.12 0.77 -0.00 0.00 -2.87 0.00 0.00 58.31 56.33 2k45 n LYS 61 Cb 0.44 -5.61 -0.04 0.00 -1.84 0.00 0.00 35.03 27.97 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 -3.31 -0.59 -2.52 -0.18 -1.32 0.01 -4.76 115.64 102.98 2k45 s THR 62 Ca 0.30 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.01 2k45 s THR 62 Cb -0.13 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.26 2k45 s THR 62 CO 0.67 0.00 1.41 -0.11 -2.21 0.00 0.00 174.62 174.39 2k45 n LEU 63 N 4.97 3.14 -3.66 9.08 7.94 -1.24 -4.23 117.00 133.00 2k45 n LEU 63 Ca -0.12 -1.31 -0.29 0.00 -1.11 0.00 0.00 56.01 53.18 2k45 n LEU 63 Cb 0.52 -0.20 -0.09 0.00 0.53 0.00 0.00 43.42 44.19 2k45 n LEU 63 CO -0.04 0.66 0.13 -3.20 -1.11 0.00 0.00 177.39 173.83 2k45 n ASN 64 N 1.30 3.73 -4.71 1.96 4.05 -1.26 -3.23 115.26 117.10 2k45 n ASN 64 Ca 0.18 -3.35 -0.29 0.00 0.45 0.00 0.00 54.58 51.57 2k45 n ASN 64 Cb 0.57 -0.76 -0.07 0.00 1.23 0.00 0.00 39.78 40.74 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 -2.10 2.61 -0.25 1.20 0.05 -1.14 -4.88 135.00 130.49 2k45 s PRO 65 Ca 0.34 -0.87 0.01 0.00 0.05 0.00 0.00 61.00 60.54 2k45 s PRO 65 Cb 0.07 -2.55 0.07 0.00 0.05 0.00 0.00 34.50 32.13 2k45 s PRO 65 CO -0.06 0.52 -0.04 0.14 0.05 0.00 0.00 177.00 177.61 2k45 s VAL 66 N -1.44 1.68 -0.24 -0.36 -7.23 -1.26 -2.79 120.40 108.75 2k45 s VAL 66 Ca 0.27 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 2k45 s VAL 66 Cb -0.11 -1.97 -0.17 0.00 0.56 0.00 0.00 36.38 34.69 2k45 s VAL 66 CO 0.19 -0.18 -0.15 0.33 -0.31 0.00 0.00 175.10 174.99 2k45 n PHE 67 N 4.60 0.25 -2.78 2.82 7.35 0.25 -4.95 117.46 124.99 2k45 n PHE 67 Ca -0.10 0.07 -0.07 0.00 -0.76 0.00 0.00 57.45 56.59 2k45 n PHE 67 Cb 0.43 -1.03 0.01 0.00 0.35 0.00 0.00 39.48 39.24 2k45 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k45 n ASN 68 N -3.63 -7.61 -4.26 -2.13 2.85 0.28 -4.99 115.26 95.77 2k45 n ASN 68 Ca -0.45 0.47 -0.34 0.00 -0.11 0.00 0.00 54.58 54.15 2k45 n ASN 68 Cb 0.95 -5.15 -0.15 0.00 1.24 0.00 0.00 39.78 36.68 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2k45 s GLU 69 N -2.55 3.26 -0.30 1.20 2.56 -1.20 -4.75 118.70 116.93 2k45 s GLU 69 Ca 0.22 -0.69 -0.28 0.00 0.00 0.00 0.00 54.97 54.22 2k45 s GLU 69 Cb -0.06 -2.82 0.01 0.00 2.00 0.00 0.00 34.13 33.26 2k45 s GLU 69 CO 0.72 -0.14 1.00 -0.65 -0.56 0.00 0.00 175.26 175.64 2k45 s GLN 70 N 1.25 4.07 -0.52 4.30 -1.52 -1.25 -1.33 119.66 124.66 2k45 s GLN 70 Ca 0.03 1.01 -0.20 0.00 -1.95 0.00 0.00 55.36 54.24 2k45 s GLN 70 Cb -0.14 -3.72 0.06 0.00 -0.22 0.00 0.00 33.01 28.99 2k45 s GLN 70 CO -0.05 -0.81 0.70 0.12 -0.25 0.00 0.00 175.29 175.00 2k45 s PHE 71 N 3.42 2.99 -0.30 0.91 5.36 0.24 -4.91 117.98 125.69 2k45 s PHE 71 Ca 0.42 -0.45 -0.29 0.00 -0.96 0.00 0.00 56.93 55.65 2k45 s PHE 71 Cb -0.13 -3.67 -0.01 0.00 -0.34 0.00 0.00 43.02 38.87 2k45 s PHE 71 CO 0.13 -1.11 1.57 0.99 -1.46 0.00 0.00 175.22 175.33 2k45 s THR 72 N 2.91 3.76 -0.62 0.12 2.01 -1.26 -1.70 115.64 120.86 2k45 s THR 72 Ca 0.18 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.00 2k45 s THR 72 Cb -0.18 -3.87 0.16 0.00 0.01 0.00 0.00 72.50 68.62 2k45 s THR 72 CO 0.13 -0.45 0.41 0.12 -0.69 0.00 0.00 174.62 174.14 2k45 s PHE 73 N 5.51 3.37 -1.49 4.92 2.19 -1.00 -4.95 117.98 126.52 2k45 s PHE 73 Ca 0.69 -2.93 -0.11 0.00 0.33 0.00 0.00 56.93 54.91 2k45 s PHE 73 Cb -0.21 -3.05 0.01 0.00 -1.31 0.00 0.00 43.02 38.46 2k45 s PHE 73 CO 0.30 -0.78 2.53 1.63 1.83 0.00 0.00 175.22 180.73 2k45 n LYS 74 N 3.17 3.53 -3.73 10.12 4.76 -1.26 0.10 118.16 134.86 2k45 n LYS 74 Ca 0.09 -2.64 -0.14 0.00 -2.87 0.00 0.00 58.31 52.74 2k45 n LYS 74 Cb 0.36 -2.95 -0.15 0.00 -1.84 0.00 0.00 35.03 30.45 2k45 n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k45 s VAL 75 N 1.88 -0.10 0.99 -0.18 1.01 -1.26 -4.93 120.40 117.81 2k45 s VAL 75 Ca 0.57 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.65 2k45 s VAL 75 Cb 0.16 -0.27 0.18 0.00 0.00 0.00 0.00 36.38 36.46 2k45 s VAL 75 CO -0.07 0.09 1.09 -2.84 0.00 0.00 0.00 175.10 173.37 2k45 s PRO 76 N 1.43 0.49 0.16 2.72 0.02 -1.21 -3.27 135.00 135.34 2k45 s PRO 76 Ca -0.07 1.09 -0.13 0.00 0.02 0.00 0.00 61.00 61.91 2k45 s PRO 76 Cb -0.12 -1.70 0.06 0.00 0.02 0.00 0.00 34.50 32.76 2k45 s PRO 76 CO -0.06 -2.85 1.76 -0.92 -0.33 0.00 0.00 177.00 174.60 2k45 h TYR 77 N -2.00 0.76 -0.24 6.54 3.20 -1.92 0.32 116.97 123.63 2k45 h TYR 77 Ca -0.51 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.39 2k45 h TYR 77 Cb 1.29 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2k45 h TYR 77 CO 0.41 0.58 0.17 0.77 -1.64 0.00 0.00 178.16 178.45 2k45 h SER 78 N 0.72 0.04 1.17 -2.11 0.02 -1.98 -0.27 113.55 111.13 2k45 h SER 78 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k45 h SER 78 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k45 h SER 78 CO -0.03 0.02 -0.66 -0.33 -1.14 0.00 0.00 176.83 174.70 2k45 h GLU 79 N 0.04 0.00 -0.85 3.45 4.39 -1.52 -3.28 114.58 116.80 2k45 h GLU 79 Ca 0.11 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.84 2k45 h GLU 79 Cb 0.40 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 2k45 h GLU 79 CO -0.01 0.00 0.56 1.25 -1.16 0.00 0.00 179.01 179.66 2k45 h LEU 80 N 0.00 0.94 -0.90 1.33 5.85 0.14 -3.28 115.31 119.40 2k45 h LEU 80 Ca 0.00 -0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.89 2k45 h LEU 80 Cb 0.92 -0.23 -0.17 0.00 0.37 0.00 0.00 40.66 41.55 2k45 h LEU 80 CO 0.00 0.67 -0.17 1.23 -0.34 0.00 0.00 178.44 179.83 2k45 h GLY 81 N 1.10 0.75 2.00 3.75 0.00 -1.62 0.87 103.07 109.92 2k45 h GLY 81 Ca 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 2k45 h GLY 81 CO -0.09 -0.36 -0.05 -1.33 0.00 0.00 0.00 176.54 174.71 2k45 h GLY 82 N 0.01 0.00 -3.12 4.60 0.00 -1.85 -3.42 103.07 99.29 2k45 h GLY 82 Ca 0.45 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.28 2k45 h GLY 82 CO -0.90 0.00 0.11 0.54 0.00 0.00 0.00 176.54 176.28 2k45 s LYS 83 N -3.57 4.09 -0.20 4.80 3.01 0.30 -4.97 119.74 123.19 2k45 s LYS 83 Ca 0.02 0.75 -0.00 0.00 -1.01 0.00 0.00 55.97 55.72 2k45 s LYS 83 Cb 0.08 -2.57 0.02 0.00 -1.01 0.00 0.00 37.83 34.35 2k45 s LYS 83 CO 0.59 0.23 -0.13 0.99 0.51 0.00 0.00 175.35 177.53 2k45 s THR 84 N -1.84 2.52 -0.50 2.17 2.01 -1.26 -2.53 115.64 116.22 2k45 s THR 84 Ca 0.51 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 2k45 s THR 84 Cb -0.12 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.28 2k45 s THR 84 CO 0.18 0.43 0.85 -0.76 -0.69 0.00 0.00 174.62 174.63 2k45 s LEU 85 N 1.33 4.22 -0.12 4.42 1.02 0.48 -4.38 118.68 125.65 2k45 s LEU 85 Ca 0.04 -0.24 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 2k45 s LEU 85 Cb -0.14 -2.90 -0.03 0.00 0.02 0.00 0.00 46.19 43.13 2k45 s LEU 85 CO -0.09 -1.05 -0.02 0.68 0.02 0.00 0.00 176.35 175.89 2k45 s VAL 86 N 3.56 4.08 -0.02 -1.59 -7.23 -1.18 0.74 120.40 118.75 2k45 s VAL 86 Ca 0.30 -0.31 0.04 0.00 -1.81 0.00 0.00 61.98 60.20 2k45 s VAL 86 Cb -0.13 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2k45 s VAL 86 CO 0.21 0.55 -0.14 -0.32 -0.31 0.00 0.00 175.10 175.09 2k45 s MET 87 N -0.25 1.22 -0.15 4.82 0.00 -0.79 -2.83 119.30 121.32 2k45 s MET 87 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 55.69 55.22 2k45 s MET 87 Cb -0.13 -1.15 0.05 0.00 0.00 0.00 0.00 34.83 33.61 2k45 s MET 87 CO 0.02 0.27 0.05 0.00 0.00 0.00 0.00 175.02 175.36 2k45 s ALA 88 N -0.20 0.71 -0.27 4.11 0.00 0.12 -0.07 121.76 126.17 2k45 s ALA 88 Ca 0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 2k45 s ALA 88 Cb -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2k45 s ALA 88 CO 0.00 -0.97 1.25 0.08 0.00 0.00 0.00 175.76 176.13 2k45 s VAL 89 N 1.99 4.24 -0.05 0.00 1.01 0.10 0.10 120.40 127.78 2k45 s VAL 89 Ca 0.02 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.47 2k45 s VAL 89 Cb -0.15 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2k45 s VAL 89 CO -0.07 -0.39 -0.17 -0.47 0.00 0.00 0.00 175.10 174.00 2k45 s TYR 90 N 4.05 1.74 -0.27 5.22 5.04 0.19 -0.50 117.35 132.81 2k45 s TYR 90 Ca 0.54 -0.55 -0.16 0.00 -2.44 0.00 0.00 57.07 54.46 2k45 s TYR 90 Cb -0.17 -1.19 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 2k45 s TYR 90 CO 0.20 -0.21 0.43 0.34 -1.34 0.00 0.00 175.55 174.96 2k45 s ASP 91 N 0.19 6.31 -0.77 4.32 -1.08 -1.14 -1.42 116.67 123.09 2k45 s ASP 91 Ca -0.07 0.33 -0.20 0.00 -0.52 0.00 0.00 52.55 52.09 2k45 s ASP 91 Cb -0.13 -2.24 0.11 0.00 -1.46 0.00 0.00 42.92 39.20 2k45 s ASP 91 CO 0.03 -0.24 0.99 0.12 0.52 0.00 0.00 175.17 176.59 2k45 s PHE 92 N 2.17 2.96 -2.64 -5.34 5.36 -1.13 -4.34 117.98 115.01 2k45 s PHE 92 Ca 0.17 -1.04 0.24 0.00 -0.96 0.00 0.00 56.93 55.34 2k45 s PHE 92 Cb -0.16 -4.23 0.42 0.00 -0.34 0.00 0.00 43.02 38.72 2k45 s PHE 92 CO 0.10 -1.50 1.39 -0.40 -1.46 0.00 0.00 175.22 173.35 2k45 n ASP 93 N 6.86 2.99 0.00 6.13 5.68 -1.26 -4.62 116.55 132.33 2k45 n ASP 93 Ca 0.08 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 2k45 n ASP 93 Cb 0.47 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k45 n ARG 94 N 1.24 -0.04 0.18 0.11 1.74 -1.26 -4.10 116.66 114.52 2k45 n ARG 94 Ca 0.17 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2k45 n ARG 94 Cb 0.56 -4.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.50 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k45 n PHE 95 N -1.99 -3.49 -0.87 -1.55 7.35 -1.26 -5.14 117.46 110.51 2k45 n PHE 95 Ca 0.00 0.97 0.00 0.00 -0.76 0.00 0.00 57.45 57.66 2k45 n PHE 95 Cb 0.01 2.18 0.00 0.00 0.35 0.00 0.00 39.48 42.02 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 -3.41 0.00 -4.67 -2.13 3.41 -1.26 -4.96 113.62 100.60 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 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.43 4.26 -0.22 4.33 -2.85 -1.26 -4.91 119.74 116.67 2k45 s LYS 97 Ca 0.00 1.85 -0.29 0.00 -1.00 0.00 0.00 55.97 56.53 2k45 s LYS 97 Cb 0.00 -3.70 -0.02 0.00 -2.06 0.00 0.00 37.83 32.04 2k45 s LYS 97 CO 0.00 -0.64 1.55 -3.38 0.10 0.00 0.00 175.35 172.97 2k45 s HIS 98 N 3.01 2.23 -0.14 1.78 -3.43 -1.26 -4.97 115.29 112.51 2k45 s HIS 98 Ca 0.61 0.60 -0.22 0.00 -0.80 0.00 0.00 55.06 55.25 2k45 s HIS 98 Cb -0.27 -3.94 -0.03 0.00 -1.43 0.00 0.00 32.58 26.91 2k45 s HIS 98 CO 0.22 -2.74 0.67 -0.51 -2.00 0.00 0.00 174.74 170.39 2k45 s ASP 99 N 3.80 6.83 0.05 7.38 1.11 -1.26 -4.98 116.67 129.59 2k45 s ASP 99 Ca 0.68 1.01 -0.31 0.00 0.18 0.00 0.00 52.55 54.12 2k45 s ASP 99 Cb -0.24 -2.38 -0.07 0.00 1.07 0.00 0.00 42.92 41.30 2k45 s ASP 99 CO 0.27 -0.22 1.41 -0.51 1.18 0.00 0.00 175.17 177.30 2k45 s ILE 100 N 1.45 3.53 -0.15 0.77 1.10 -1.26 -2.88 121.20 123.76 2k45 s ILE 100 Ca 0.33 1.01 -0.20 0.00 -0.51 0.00 0.00 60.65 61.28 2k45 s ILE 100 Cb -0.16 -3.65 -0.17 0.00 0.15 0.00 0.00 42.46 38.63 2k45 s ILE 100 CO 0.13 0.03 0.38 0.40 -2.11 0.00 0.00 174.94 173.77 2k45 h ILE 101 N 4.65 1.04 -1.93 2.00 1.08 -1.13 -3.47 117.51 119.75 2k45 h ILE 101 Ca -0.40 -1.92 0.07 0.00 -0.39 0.00 0.00 64.86 62.22 2k45 h ILE 101 Cb 1.19 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 37.03 2k45 h ILE 101 CO 0.89 0.35 0.24 0.61 -0.69 0.00 0.00 178.15 179.55 2k45 n GLY 102 N 1.59 0.99 3.58 5.37 0.00 -0.43 -4.32 105.19 111.97 2k45 n GLY 102 Ca -0.14 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.02 1.01 -0.01 1.61 2.12 0.12 0.00 118.70 121.54 2k45 s GLU 103 Ca 0.09 -0.45 -0.09 0.00 0.36 0.00 0.00 54.97 54.88 2k45 s GLU 103 Cb -0.01 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.80 2k45 s GLU 103 CO 0.02 -0.45 0.19 0.12 -0.54 0.00 0.00 175.26 174.60 2k45 s PHE 104 N -3.26 -0.04 -0.21 5.30 5.36 0.90 -0.06 117.98 125.97 2k45 s PHE 104 Ca 0.07 0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.04 2k45 s PHE 104 Cb -0.01 0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.67 2k45 s PHE 104 CO -0.05 -0.31 -0.09 0.21 -1.46 0.00 0.00 175.22 173.52 2k45 s LYS 105 N -1.28 3.28 -0.37 10.12 2.47 -1.26 -1.89 119.74 130.82 2k45 s LYS 105 Ca -0.14 -0.68 0.00 0.00 -1.56 0.00 0.00 55.97 53.60 2k45 s LYS 105 Cb -0.07 -2.88 0.12 0.00 -1.46 0.00 0.00 37.83 33.54 2k45 s LYS 105 CO 0.02 -0.18 0.17 0.08 0.16 0.00 0.00 175.35 175.61 2k45 s VAL 106 N 1.37 0.94 0.24 4.02 1.01 0.23 -5.02 120.40 123.19 2k45 s VAL 106 Ca 0.05 -1.90 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 2k45 s VAL 106 Cb -0.14 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 2k45 s VAL 106 CO -0.05 -0.82 1.22 -2.16 0.00 0.00 0.00 175.10 173.29 2k45 s PRO 107 N 1.03 4.48 0.36 2.72 0.04 -1.26 -0.39 135.00 141.98 2k45 s PRO 107 Ca 0.14 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.26 2k45 s PRO 107 Cb -0.21 -3.18 0.87 0.00 0.04 0.00 0.00 34.50 32.02 2k45 s PRO 107 CO -0.11 -0.07 1.84 0.00 0.04 0.00 0.00 177.00 178.70 2k45 h MET 108 N 4.53 0.61 0.00 4.56 -0.00 -1.76 -2.42 114.93 120.46 2k45 h MET 108 Ca -0.46 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.70 59.20 2k45 h MET 108 Cb 1.22 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 32.68 2k45 h MET 108 CO 0.71 0.41 -0.04 -0.91 -0.00 0.00 0.00 176.91 177.08 2k45 h ASN 109 N 0.63 0.00 0.86 -0.10 -0.26 -1.83 -1.35 115.58 113.53 2k45 h ASN 109 Ca 0.49 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 56.15 2k45 h ASN 109 Cb 0.91 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.15 2k45 h ASN 109 CO -0.24 0.04 -1.20 0.71 -1.06 0.00 0.00 177.43 175.67 2k45 h THR 110 N 0.00 0.25 -3.57 2.81 1.35 -1.83 -3.45 112.91 108.48 2k45 h THR 110 Ca -0.00 -1.51 -0.63 0.00 -0.55 0.00 0.00 66.41 63.72 2k45 h THR 110 Cb 0.54 1.78 -0.13 0.00 -1.73 0.00 0.00 68.15 68.60 2k45 h THR 110 CO 0.00 0.15 0.10 -0.69 -0.25 0.00 0.00 175.52 174.83 2k45 s VAL 111 N -3.14 4.93 -0.45 6.82 1.01 -0.51 -5.02 120.40 124.04 2k45 s VAL 111 Ca -0.02 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2k45 s VAL 111 Cb 0.09 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2k45 s VAL 111 CO 0.80 -0.24 0.89 -0.62 0.00 0.00 0.00 175.10 175.92 2k45 s ASP 112 N 1.74 6.48 -0.94 3.32 -1.08 -1.26 -4.92 116.67 120.01 2k45 s ASP 112 Ca 0.23 0.07 -0.00 0.00 -0.52 0.00 0.00 52.55 52.33 2k45 s ASP 112 Cb -0.15 -2.43 0.33 0.00 -1.46 0.00 0.00 42.92 39.21 2k45 s ASP 112 CO 0.14 -1.01 1.74 0.49 0.52 0.00 0.00 175.17 177.05 2k45 n PHE 113 N 7.03 2.96 -0.03 -5.34 3.72 -1.26 -4.57 117.46 119.96 2k45 n PHE 113 Ca 0.05 -2.71 -0.06 0.00 -0.05 0.00 0.00 57.45 54.68 2k45 n PHE 113 Cb 0.48 -1.10 -0.06 0.00 -0.94 0.00 0.00 39.48 37.87 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 3.89 -0.05 0.00 1.37 0.00 -1.97 -3.48 103.07 102.83 2k45 h GLY 114 Ca 0.49 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2k45 h GLY 114 CO 1.16 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.10 2k45 n HIS 115 N -4.76 0.00 -4.43 5.60 8.25 -1.26 -4.96 115.22 113.67 2k45 n HIS 115 Ca -0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 2k45 n HIS 115 Cb 0.20 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.18 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 1.54 3.46 -0.56 1.59 -7.23 -1.26 -3.61 120.40 114.32 2k45 s VAL 116 Ca 0.00 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.46 2k45 s VAL 116 Cb 0.00 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.49 2k45 s VAL 116 CO 0.00 0.49 0.79 -0.89 -0.31 0.00 0.00 175.10 175.18 2k45 s THR 117 N 0.62 4.62 -0.27 5.32 2.01 0.33 -4.90 115.64 123.37 2k45 s THR 117 Ca -0.04 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2k45 s THR 117 Cb -0.15 -4.47 0.05 0.00 0.01 0.00 0.00 72.50 67.94 2k45 s THR 117 CO 0.03 -1.07 -0.06 -1.61 -0.69 0.00 0.00 174.62 171.21 2k45 s GLU 118 N 3.30 2.44 0.11 4.92 2.02 -1.26 -0.22 118.70 129.99 2k45 s GLU 118 Ca 0.20 -1.24 -0.20 0.00 0.02 0.00 0.00 54.97 53.76 2k45 s GLU 118 Cb -0.18 -3.00 0.05 0.00 0.10 0.00 0.00 34.13 31.10 2k45 s GLU 118 CO 0.13 -0.55 0.49 -1.83 0.02 0.00 0.00 175.26 173.51 2k45 s GLU 119 N 1.20 1.10 -0.47 1.61 -1.05 -1.11 -5.04 118.70 114.95 2k45 s GLU 119 Ca -0.06 -0.49 -0.22 0.00 -0.15 0.00 0.00 54.97 54.05 2k45 s GLU 119 Cb -0.19 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 2k45 s GLU 119 CO -0.04 -0.43 0.75 -1.58 0.95 0.00 0.00 175.26 174.91 2k45 s TRP 120 N -3.32 2.99 -0.13 4.83 0.23 -1.26 -2.36 118.94 119.91 2k45 s TRP 120 Ca -0.00 -0.03 -0.04 0.00 -2.03 0.00 0.00 56.10 54.00 2k45 s TRP 120 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 33.47 29.85 2k45 s TRP 120 CO -0.09 -1.02 0.01 0.50 0.96 0.00 0.00 176.95 177.32 2k45 s ARG 121 N 3.17 3.41 0.07 4.98 6.06 -0.94 -4.93 118.95 130.77 2k45 s ARG 121 Ca 0.26 -0.40 -0.10 0.00 -2.50 0.00 0.00 55.73 52.98 2k45 s ARG 121 Cb -0.14 -2.95 -0.06 0.00 0.06 0.00 0.00 34.95 31.87 2k45 s ARG 121 CO 0.20 0.50 0.40 0.16 -2.50 0.00 0.00 175.30 174.05 2k45 s ASP 122 N -0.30 6.66 -0.26 -2.12 -4.77 -1.26 0.10 116.67 114.72 2k45 s ASP 122 Ca 0.07 0.81 -0.24 0.00 -3.30 0.00 0.00 52.55 49.90 2k45 s ASP 122 Cb -0.12 -2.19 -0.01 0.00 -1.09 0.00 0.00 42.92 39.51 2k45 s ASP 122 CO 0.02 0.19 0.79 -0.76 0.70 0.00 0.00 175.17 176.11 2k45 s LEU 123 N -1.79 4.08 0.23 2.11 2.01 0.89 -4.79 118.68 121.41 2k45 s LEU 123 Ca 0.32 0.89 -0.02 0.00 0.01 0.00 0.00 54.13 55.33 2k45 s LEU 123 Cb -0.14 -3.11 -0.04 0.00 0.01 0.00 0.00 46.19 42.90 2k45 s LEU 123 CO 0.17 -0.52 0.44 0.00 1.01 0.00 0.00 176.35 177.45 2k45 s GLN 124 N 2.83 3.55 -0.21 1.70 -2.07 0.91 -1.65 119.66 124.71 2k45 s GLN 124 Ca 0.33 -0.25 -0.38 0.00 -1.82 0.00 0.00 55.36 53.24 2k45 s GLN 124 Cb -0.15 -2.78 -0.14 0.00 -1.09 0.00 0.00 33.01 28.85 2k45 s GLN 124 CO 0.09 0.34 1.82 0.43 -1.32 0.00 0.00 175.29 176.65 2k45 n SER 125 N -0.78 2.79 -4.83 12.60 7.64 -1.26 -0.70 113.62 129.07 2k45 n SER 125 Ca -0.04 1.02 -0.36 0.00 1.01 0.00 0.00 58.87 60.49 2k45 n SER 125 Cb 0.54 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 2k45 n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k45 s ALA 126 N 3.90 3.82 -0.62 -0.43 0.00 -1.26 -4.70 121.76 122.47 2k45 s ALA 126 Ca 0.97 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.33 2k45 s ALA 126 Cb -0.92 -2.04 0.15 0.00 0.00 0.00 0.00 23.12 20.30 2k45 s ALA 126 CO 0.60 0.47 0.39 -1.21 0.00 0.00 0.00 175.76 176.02 2k45 s GLU 127 N -0.60 2.24 0.00 0.00 2.02 -1.26 -4.78 118.70 116.32 2k45 s GLU 127 Ca 0.13 -3.03 0.10 0.00 0.02 0.00 0.00 54.97 52.19 2k45 s GLU 127 Cb -0.12 -3.37 0.08 0.00 0.10 0.00 0.00 34.13 30.83 2k45 s GLU 127 CO 0.02 -1.21 0.82 1.17 0.02 0.00 0.00 175.26 176.09