#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 0.02 0.28 3.44 -0.14 -1.04 -4.77 119.74 117.53 2k45 s LYS 2 Ca 0.00 0.07 0.05 0.00 -1.36 0.00 0.00 55.97 54.73 2k45 s LYS 2 Cb 0.00 -1.40 0.40 0.00 -1.68 0.00 0.00 37.83 35.15 2k45 s LYS 2 CO 0.00 -0.56 1.67 -0.07 -0.76 0.00 0.00 175.35 175.63 2k45 h LEU 3 N 8.42 0.29 0.00 3.17 4.07 -1.81 -3.35 115.31 126.11 2k45 h LEU 3 Ca -0.14 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2k45 h LEU 3 Cb 1.14 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2k45 h LEU 3 CO 0.25 0.69 0.00 0.61 -1.08 0.00 0.00 178.44 178.91 2k45 n GLY 4 N -0.12 0.74 3.15 0.83 0.00 -1.26 0.88 105.19 109.42 2k45 n GLY 4 Ca -0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.28 1.61 1.02 -1.14 -3.72 119.74 117.99 2k45 s LYS 5 Ca 0.00 -1.16 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 2k45 s LYS 5 Cb 0.00 0.27 0.09 0.00 -0.52 0.00 0.00 37.83 37.67 2k45 s LYS 5 CO 0.00 -0.20 0.07 -1.17 -0.92 0.00 0.00 175.35 173.13 2k45 s LEU 6 N -2.92 2.12 -0.45 3.17 0.20 0.54 0.50 118.68 121.84 2k45 s LEU 6 Ca 0.09 -1.47 -0.16 0.00 0.69 0.00 0.00 54.13 53.28 2k45 s LEU 6 Cb 0.07 -0.86 0.05 0.00 -0.43 0.00 0.00 46.19 45.02 2k45 s LEU 6 CO -0.08 -0.38 0.40 0.00 -0.29 0.00 0.00 176.35 176.00 2k45 s GLN 7 N 1.63 3.01 0.00 1.98 0.00 -0.89 -0.45 119.66 124.94 2k45 s GLN 7 Ca 0.07 -1.12 0.00 0.00 -0.00 0.00 0.00 55.36 54.31 2k45 s GLN 7 Cb -0.17 -4.06 0.00 0.00 0.00 0.00 0.00 33.01 28.77 2k45 s GLN 7 CO -0.21 -0.95 0.00 0.98 0.00 0.00 0.00 175.29 175.12 2k45 n TYR 8 N 5.37 -0.03 -4.05 9.60 9.36 -1.10 -2.13 117.16 134.17 2k45 n TYR 8 Ca -0.11 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.86 2k45 n TYR 8 Cb 0.45 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.99 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 1.91 1.86 -0.11 2.98 1.04 -1.12 -1.12 113.70 119.14 2k45 s SER 9 Ca 0.00 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 2k45 s SER 9 Cb 0.00 -0.73 -0.03 0.00 0.10 0.00 0.00 66.02 65.36 2k45 s SER 9 CO 0.00 -0.09 -0.08 -0.76 0.98 0.00 0.00 173.24 173.29 2k45 s LEU 10 N 1.44 3.06 0.32 2.42 1.43 0.22 -3.24 118.68 124.34 2k45 s LEU 10 Ca -0.01 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2k45 s LEU 10 Cb -0.13 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 2k45 s LEU 10 CO -0.04 0.25 0.10 -0.62 0.23 0.00 0.00 176.35 176.26 2k45 s ASP 11 N -0.13 1.98 -0.05 2.29 2.15 0.44 0.88 116.67 124.24 2k45 s ASP 11 Ca 0.01 -1.46 -0.01 0.00 0.43 0.00 0.00 52.55 51.52 2k45 s ASP 11 Cb -0.13 0.18 0.03 0.00 -0.30 0.00 0.00 42.92 42.69 2k45 s ASP 11 CO 0.03 -0.75 0.02 -0.72 -0.17 0.00 0.00 175.17 173.57 2k45 s TYR 12 N -3.46 0.38 -0.21 -5.34 1.13 -1.26 0.15 117.35 108.75 2k45 s TYR 12 Ca 0.34 0.00 -0.16 0.00 -1.41 0.00 0.00 57.07 55.85 2k45 s TYR 12 Cb 0.07 -0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 2k45 s TYR 12 CO 0.15 -0.22 0.40 0.34 -2.51 0.00 0.00 175.55 173.71 2k45 s ASP 13 N 1.65 6.42 0.09 -0.18 -1.08 -0.85 -4.97 116.67 117.74 2k45 s ASP 13 Ca -0.01 0.50 0.17 0.00 -0.52 0.00 0.00 52.55 52.69 2k45 s ASP 13 Cb -0.13 -2.23 -0.11 0.00 -1.46 0.00 0.00 42.92 38.99 2k45 s ASP 13 CO -0.03 -0.09 0.87 2.19 0.52 0.00 0.00 175.17 178.63 2k45 h PHE 14 N 7.43 0.00 -0.49 -5.34 -0.00 -1.95 -0.48 116.94 116.11 2k45 h PHE 14 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.61 2k45 h PHE 14 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.11 2k45 h PHE 14 CO 0.68 0.50 0.00 0.00 -0.00 0.00 0.00 178.31 179.49 2k45 n GLN 15 N -2.87 2.24 0.00 6.09 -0.00 -1.26 -1.80 117.38 119.78 2k45 n GLN 15 Ca -0.08 -1.81 0.05 0.00 -0.00 0.00 0.00 57.00 55.17 2k45 n GLN 15 Cb 0.80 -1.42 0.03 0.00 -0.00 0.00 0.00 30.24 29.64 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 0.92 1.68 -3.52 2.61 0.23 -1.24 -5.03 115.26 110.91 2k45 n ASN 16 Ca 0.17 -1.34 -0.23 0.00 -0.53 0.00 0.00 54.58 52.64 2k45 n ASN 16 Cb 0.45 0.17 0.05 0.00 -2.08 0.00 0.00 39.78 38.37 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 0.31 -5.07 -4.11 0.53 4.05 -0.75 -4.94 115.26 105.28 2k45 n ASN 17 Ca 0.06 -0.86 -0.23 0.00 0.45 0.00 0.00 54.58 53.99 2k45 n ASN 17 Cb 0.26 -4.21 -0.15 0.00 1.23 0.00 0.00 39.78 36.90 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 -5.37 1.31 0.14 1.20 1.03 -0.25 -2.02 119.66 115.70 2k45 s GLN 18 Ca 0.38 -0.53 -0.17 0.00 0.04 0.00 0.00 55.36 55.08 2k45 s GLN 18 Cb -0.10 -1.23 -0.07 0.00 0.03 0.00 0.00 33.01 31.64 2k45 s GLN 18 CO 0.81 0.29 0.61 -0.51 -2.54 0.00 0.00 175.29 173.94 2k45 s LEU 19 N -0.22 4.40 -0.04 2.60 1.43 0.38 -2.01 118.68 125.22 2k45 s LEU 19 Ca 0.03 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2k45 s LEU 19 Cb -0.07 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2k45 s LEU 19 CO 0.00 0.14 -0.13 -0.22 0.23 0.00 0.00 176.35 176.37 2k45 s LEU 20 N -1.68 1.79 -0.58 1.79 0.20 0.41 -2.80 118.68 117.81 2k45 s LEU 20 Ca 0.36 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.94 2k45 s LEU 20 Cb -0.17 -0.80 0.15 0.00 -0.43 0.00 0.00 46.19 44.95 2k45 s LEU 20 CO 0.20 0.09 0.37 -0.69 -0.29 0.00 0.00 176.35 176.03 2k45 s VAL 21 N 0.28 2.24 -0.66 1.68 1.01 -1.11 -0.42 120.40 123.43 2k45 s VAL 21 Ca -0.07 -3.55 -0.18 0.00 0.00 0.00 0.00 61.98 58.18 2k45 s VAL 21 Cb -0.12 -2.51 0.12 0.00 0.00 0.00 0.00 36.38 33.87 2k45 s VAL 21 CO 0.02 -0.97 0.76 -0.83 0.00 0.00 0.00 175.10 174.08 2k45 s GLY 22 N -0.67 1.93 0.00 4.51 0.00 -1.20 0.63 107.32 112.51 2k45 s GLY 22 Ca 0.23 -2.46 0.00 0.00 0.00 0.00 0.00 44.72 42.49 2k45 s GLY 22 CO -0.10 1.57 0.00 0.29 0.00 0.00 0.00 173.10 174.86 2k45 n ILE 23 N 5.32 0.00 0.00 0.90 -5.35 -0.96 -2.79 119.36 116.47 2k45 n ILE 23 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2k45 n ILE 23 Cb 0.44 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.86 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2k45 n ILE 24 N -0.01 0.00 -3.77 7.28 2.08 -0.91 -3.12 119.36 120.91 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 -0.99 -0.07 0.00 -0.75 0.00 0.00 39.64 37.82 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 -0.84 0.80 0.01 0.38 1.03 -1.26 0.53 119.66 120.31 2k45 s GLN 25 Ca 0.00 -0.58 -0.01 0.00 0.04 0.00 0.00 55.36 54.81 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 0.12 0.00 -2.54 0.00 0.00 175.29 172.62 2k45 s ALA 26 N -2.74 3.73 -0.06 2.60 0.00 -0.64 -2.10 121.76 122.55 2k45 s ALA 26 Ca -0.04 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2k45 s ALA 26 Cb -0.00 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.46 2k45 s ALA 26 CO -0.05 0.73 -0.10 0.00 0.00 0.00 0.00 175.76 176.34 2k45 s ALA 27 N -1.29 1.13 -0.92 0.00 0.00 0.18 -2.51 121.76 118.36 2k45 s ALA 27 Ca 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 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 0.18 0.04 0.76 0.39 0.00 0.00 0.00 175.76 177.13 2k45 n GLU 28 N 3.97 -5.07 -3.03 0.00 1.02 0.48 -2.89 120.64 115.12 2k45 n GLU 28 Ca -0.22 0.65 -0.23 0.00 -0.02 0.00 0.00 57.16 57.34 2k45 n GLU 28 Cb 0.51 -5.07 0.01 0.00 -0.02 0.00 0.00 31.44 26.87 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 -5.33 3.68 0.43 -4.62 1.43 -0.72 -4.42 118.68 109.12 2k45 s LEU 29 Ca 0.01 0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 2k45 s LEU 29 Cb -0.00 -3.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 2k45 s LEU 29 CO 0.56 -0.67 1.14 -2.16 0.23 0.00 0.00 176.35 175.44 2k45 s PRO 30 N -4.52 3.94 -0.08 1.29 0.04 -1.26 -4.81 135.00 129.60 2k45 s PRO 30 Ca 0.48 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 2k45 s PRO 30 Cb -0.10 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 2k45 s PRO 30 CO 0.37 -0.39 1.00 0.00 0.04 0.00 0.00 177.00 178.03 2k45 s ALA 31 N -1.54 3.34 -0.36 8.56 0.00 -1.26 -4.65 121.76 125.85 2k45 s ALA 31 Ca 0.60 0.42 0.06 0.00 0.00 0.00 0.00 51.96 53.04 2k45 s ALA 31 Cb -0.27 -3.41 0.46 0.00 0.00 0.00 0.00 23.12 19.89 2k45 s ALA 31 CO 0.34 -0.51 1.37 1.28 0.00 0.00 0.00 175.76 178.24 2k45 n LEU 32 N 4.72 5.27 -3.87 0.00 7.99 -1.12 -4.88 117.00 125.11 2k45 n LEU 32 Ca 0.08 -4.56 -0.10 0.00 -0.01 0.00 0.00 56.01 51.42 2k45 n LEU 32 Cb 0.49 -0.49 -0.09 0.00 -0.11 0.00 0.00 43.42 43.23 2k45 n LEU 32 CO 0.52 1.90 -0.15 -0.62 -1.51 0.00 0.00 177.39 177.53 2k45 s ASP 33 N -3.19 0.07 -1.50 -1.43 2.15 -0.96 -3.89 116.67 107.92 2k45 s ASP 33 Ca 0.52 -0.37 -0.10 0.00 0.43 0.00 0.00 52.55 53.04 2k45 s ASP 33 Cb 0.43 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 43.30 2k45 s ASP 33 CO 0.02 -0.49 2.62 0.23 -0.17 0.00 0.00 175.17 177.38 2k45 n MET 34 N 0.91 3.76 -0.18 4.34 2.81 -1.26 -2.88 117.12 124.62 2k45 n MET 34 Ca -0.20 -2.67 0.00 0.00 -1.81 0.00 0.00 57.70 53.02 2k45 n MET 34 Cb 0.58 -2.85 0.00 0.00 -0.71 0.00 0.00 33.22 30.23 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 3.17 0.48 3.58 3.03 0.00 -1.26 -4.98 105.19 109.22 2k45 n GLY 35 Ca 0.67 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 -0.50 3.27 -0.02 0.00 -1.14 -4.96 105.19 101.84 2k45 n GLY 36 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.16 0.04 0.27 2.61 -4.23 -1.26 -4.84 115.64 105.06 2k45 s THR 37 Ca 0.52 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 2k45 s THR 37 Cb -0.26 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 2k45 s THR 37 CO 0.64 0.00 0.03 -0.94 -0.54 0.00 0.00 174.62 173.82 2k45 s SER 38 N -3.32 1.87 -0.84 3.99 1.04 -1.25 -2.26 113.70 112.93 2k45 s SER 38 Ca 0.39 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2k45 s SER 38 Cb 0.04 0.01 0.27 0.00 0.10 0.00 0.00 66.02 66.44 2k45 s SER 38 CO 0.22 -0.58 1.02 0.47 0.98 0.00 0.00 173.24 175.36 2k45 n ASP 39 N -0.51 4.81 -4.58 7.02 8.00 -1.26 -0.83 116.55 129.20 2k45 n ASP 39 Ca -0.03 -3.39 -0.38 0.00 0.71 0.00 0.00 54.79 51.69 2k45 n ASP 39 Cb 0.65 -0.94 0.05 0.00 -0.02 0.00 0.00 41.12 40.85 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 1.22 0.86 -3.64 -0.24 -0.04 -1.20 -2.83 135.00 129.12 2k45 n PRO 40 Ca 0.27 0.33 -0.06 0.00 -0.04 0.00 0.00 63.50 64.00 2k45 n PRO 40 Cb 0.37 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.71 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 -0.81 -0.31 0.54 5.04 -0.99 -1.01 117.35 118.27 2k45 s TYR 41 Ca 0.73 1.67 -0.12 0.00 -2.44 0.00 0.00 57.07 56.91 2k45 s TYR 41 Cb -0.44 0.48 -0.03 0.00 0.35 0.00 0.00 41.96 42.32 2k45 s TYR 41 CO 0.49 -0.40 0.22 0.08 -1.34 0.00 0.00 175.55 174.60 2k45 s VAL 42 N 1.30 5.29 -0.59 3.14 1.01 -1.26 0.17 120.40 129.47 2k45 s VAL 42 Ca -0.08 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.60 2k45 s VAL 42 Cb -0.04 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2k45 s VAL 42 CO -0.15 0.11 1.11 -0.54 0.00 0.00 0.00 175.10 175.63 2k45 s LYS 43 N 1.74 3.41 -0.30 2.72 1.02 0.35 -2.86 119.74 125.82 2k45 s LYS 43 Ca 0.06 -0.00 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 2k45 s LYS 43 Cb -0.17 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.06 2k45 s LYS 43 CO 0.11 -1.66 0.18 0.08 -0.92 0.00 0.00 175.35 173.13 2k45 s VAL 44 N 4.66 5.02 0.25 3.17 1.01 -1.18 0.45 120.40 133.78 2k45 s VAL 44 Ca 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2k45 s VAL 44 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2k45 s VAL 44 CO 0.22 0.15 0.16 -0.36 0.00 0.00 0.00 175.10 175.27 2k45 s PHE 45 N 1.70 1.41 0.01 5.22 0.08 -0.40 -3.04 117.98 122.96 2k45 s PHE 45 Ca 0.06 -1.40 0.06 0.00 0.12 0.00 0.00 56.93 55.77 2k45 s PHE 45 Cb -0.16 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2k45 s PHE 45 CO 0.09 -0.61 -0.17 -0.51 -0.10 0.00 0.00 175.22 173.91 2k45 s LEU 46 N -3.27 2.09 0.55 -0.37 1.02 -1.26 -1.70 118.68 115.75 2k45 s LEU 46 Ca 0.38 -0.39 -0.05 0.00 0.02 0.00 0.00 54.13 54.09 2k45 s LEU 46 Cb 0.06 -0.85 -0.01 0.00 0.02 0.00 0.00 46.19 45.41 2k45 s LEU 46 CO 0.16 0.17 0.85 -0.76 0.02 0.00 0.00 176.35 176.79 2k45 s LEU 47 N -0.73 3.37 0.00 1.79 1.43 0.85 -2.09 118.68 123.31 2k45 s LEU 47 Ca 0.06 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2k45 s LEU 47 Cb -0.07 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2k45 s LEU 47 CO 0.00 -0.90 0.00 -2.65 0.23 0.00 0.00 176.35 173.03 2k45 n PRO 48 N -2.46 0.00 0.00 1.29 -0.02 -1.26 -3.55 135.00 129.00 2k45 n PRO 48 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2k45 n PRO 48 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2k45 n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k45 n ASP 49 N 0.00 0.00 -3.49 2.55 2.03 -1.26 -4.99 116.55 111.39 2k45 n ASP 49 Ca 0.00 0.31 -0.18 0.00 0.52 0.00 0.00 54.79 55.43 2k45 n ASP 49 Cb 0.00 -0.44 0.07 0.00 -0.72 0.00 0.00 41.12 40.03 2k45 n ASP 49 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k45 n LYS 50 N -2.01 -6.04 -0.69 -0.67 0.00 -0.89 -4.87 118.16 103.00 2k45 n LYS 50 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 58.31 58.96 2k45 n LYS 50 Cb 0.00 -5.68 0.08 0.00 0.00 0.00 0.00 35.03 29.43 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 -4.14 1.69 -3.49 1.64 5.02 -1.26 -4.83 118.16 112.79 2k45 n LYS 51 Ca -0.29 -1.57 -0.29 0.00 -2.02 0.00 0.00 58.31 54.15 2k45 n LYS 51 Cb 0.67 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 2k45 n LYS 51 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k45 s LYS 52 N -1.74 0.58 -0.74 1.97 -0.14 -1.26 -4.71 119.74 113.70 2k45 s LYS 52 Ca 0.30 -1.33 -0.22 0.00 -1.36 0.00 0.00 55.97 53.37 2k45 s LYS 52 Cb 0.25 -1.38 0.08 0.00 -1.68 0.00 0.00 37.83 35.10 2k45 s LYS 52 CO 0.04 -1.19 1.02 0.21 -0.76 0.00 0.00 175.35 174.67 2k45 s LYS 53 N 1.09 3.25 0.15 1.68 2.20 -1.26 -4.45 119.74 122.40 2k45 s LYS 53 Ca 0.17 -1.08 0.08 0.00 -0.36 0.00 0.00 55.97 54.78 2k45 s LYS 53 Cb -0.23 -4.44 -0.04 0.00 -1.51 0.00 0.00 37.83 31.61 2k45 s LYS 53 CO -0.02 -1.82 -0.05 -0.06 -0.36 0.00 0.00 175.35 173.05 2k45 s PHE 54 N 3.74 2.77 -0.23 4.03 0.40 -1.17 -5.03 117.98 122.49 2k45 s PHE 54 Ca 0.25 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.35 2k45 s PHE 54 Cb -0.13 -1.37 0.10 0.00 0.51 0.00 0.00 43.02 42.13 2k45 s PHE 54 CO 0.05 0.49 0.49 -2.00 0.70 0.00 0.00 175.22 174.95 2k45 s GLU 55 N -2.71 0.40 0.62 0.44 2.12 -1.26 -3.10 118.70 115.22 2k45 s GLU 55 Ca 0.25 1.16 -0.17 0.00 0.36 0.00 0.00 54.97 56.57 2k45 s GLU 55 Cb -0.10 0.49 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2k45 s GLU 55 CO 0.17 -0.25 1.14 0.99 -0.54 0.00 0.00 175.26 176.77 2k45 s THR 56 N 2.70 3.00 0.49 -1.70 2.01 -1.14 -4.95 115.64 116.06 2k45 s THR 56 Ca -0.02 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 2k45 s THR 56 Cb -0.12 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 2k45 s THR 56 CO -0.15 -0.22 1.36 -0.75 -0.69 0.00 0.00 174.62 174.17 2k45 s LYS 57 N -3.71 3.50 -0.04 4.92 2.20 -1.26 -4.59 119.74 120.75 2k45 s LYS 57 Ca 0.71 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 58.28 2k45 s LYS 57 Cb -0.24 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2k45 s LYS 57 CO 0.36 -0.91 1.09 0.08 -0.36 0.00 0.00 175.35 175.62 2k45 s VAL 58 N -1.28 4.51 -0.78 4.02 1.01 -1.26 -4.66 120.40 121.96 2k45 s VAL 58 Ca 0.65 1.81 -0.15 0.00 0.00 0.00 0.00 61.98 64.29 2k45 s VAL 58 Cb -0.40 -4.16 0.20 0.00 0.00 0.00 0.00 36.38 32.01 2k45 s VAL 58 CO 0.50 0.05 0.74 -1.00 0.00 0.00 0.00 175.10 175.39 2k45 s HIS 59 N 1.74 3.63 -0.06 5.22 0.09 -0.18 -4.96 115.29 120.77 2k45 s HIS 59 Ca 0.53 -1.82 -0.30 0.00 -0.00 0.00 0.00 55.06 53.47 2k45 s HIS 59 Cb -0.23 -3.85 -0.04 0.00 -0.00 0.00 0.00 32.58 28.46 2k45 s HIS 59 CO 0.23 -1.03 1.43 1.03 -0.00 0.00 0.00 174.74 176.41 2k45 s ARG 60 N 0.59 4.24 -0.72 1.40 1.81 -1.26 -3.24 118.95 121.77 2k45 s ARG 60 Ca 0.16 1.95 -0.00 0.00 -1.72 0.00 0.00 55.73 56.12 2k45 s ARG 60 Cb -0.13 -3.74 -0.00 0.00 -0.45 0.00 0.00 34.95 30.63 2k45 s ARG 60 CO -0.07 -0.68 0.60 1.63 -0.68 0.00 0.00 175.30 176.10 2k45 n LYS 61 N 6.17 -3.83 -3.68 3.54 4.76 -0.68 -4.97 118.16 119.46 2k45 n LYS 61 Ca 0.14 0.51 -0.10 0.00 -2.87 0.00 0.00 58.31 56.00 2k45 n LYS 61 Cb 0.44 -4.50 -0.10 0.00 -1.84 0.00 0.00 35.03 29.02 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 -3.22 -0.17 -1.99 -0.18 -4.23 -0.01 -4.78 115.64 101.06 2k45 s THR 62 Ca 0.02 0.10 0.26 0.00 -1.18 0.00 0.00 61.69 60.89 2k45 s THR 62 Cb -0.00 -0.67 0.29 0.00 1.34 0.00 0.00 72.50 73.46 2k45 s THR 62 CO 0.44 0.04 1.53 0.18 -0.54 0.00 0.00 174.62 176.27 2k45 n LEU 63 N 4.52 1.32 -3.30 4.79 4.77 -1.26 -3.97 117.00 123.87 2k45 n LEU 63 Ca -0.20 -0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 55.13 2k45 n LEU 63 Cb 0.54 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2k45 n LEU 63 CO 0.05 0.24 -0.28 -3.20 -1.33 0.00 0.00 177.39 172.88 2k45 n ASN 64 N -0.33 0.25 -4.88 -1.43 4.05 -1.26 -0.39 115.26 111.26 2k45 n ASN 64 Ca 0.13 -2.64 -0.32 0.00 0.45 0.00 0.00 54.58 52.20 2k45 n ASN 64 Cb 0.37 -0.61 -0.05 0.00 1.23 0.00 0.00 39.78 40.72 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 -0.83 3.70 -0.18 1.20 0.05 -1.04 -4.92 135.00 132.99 2k45 s PRO 65 Ca 0.34 0.07 -0.00 0.00 0.05 0.00 0.00 61.00 61.46 2k45 s PRO 65 Cb 0.12 -2.85 0.04 0.00 0.05 0.00 0.00 34.50 31.86 2k45 s PRO 65 CO -0.14 0.46 -0.06 0.14 0.05 0.00 0.00 177.00 177.45 2k45 s VAL 66 N -1.62 1.24 -0.21 -0.36 -7.23 -1.26 -1.62 120.40 109.35 2k45 s VAL 66 Ca 0.40 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.76 2k45 s VAL 66 Cb -0.12 -1.40 -0.19 0.00 0.56 0.00 0.00 36.38 35.22 2k45 s VAL 66 CO 0.22 0.13 0.01 0.33 -0.31 0.00 0.00 175.10 175.47 2k45 n PHE 67 N 4.82 0.57 -2.94 2.82 -0.00 0.70 -4.93 117.46 118.50 2k45 n PHE 67 Ca -0.13 0.16 -0.01 0.00 -0.00 0.00 0.00 57.45 57.47 2k45 n PHE 67 Cb 0.47 -1.07 0.00 0.00 -0.00 0.00 0.00 39.48 38.89 2k45 n PHE 67 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2k45 n ASN 68 N -3.72 -7.49 -3.67 -2.13 4.13 0.19 -5.02 115.26 97.55 2k45 n ASN 68 Ca -0.41 0.03 -0.21 0.00 1.68 0.00 0.00 54.58 55.66 2k45 n ASN 68 Cb 0.94 -5.08 -0.18 0.00 -1.54 0.00 0.00 39.78 33.92 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2k45 s GLU 69 N -2.92 -0.01 -0.13 3.52 2.12 -1.18 -4.97 118.70 115.13 2k45 s GLU 69 Ca 0.04 0.29 -0.28 0.00 0.36 0.00 0.00 54.97 55.38 2k45 s GLU 69 Cb -0.01 -0.74 -0.01 0.00 0.26 0.00 0.00 34.13 33.62 2k45 s GLU 69 CO 0.71 -0.38 0.93 1.14 -0.54 0.00 0.00 175.26 177.12 2k45 s GLN 70 N 2.15 4.37 -0.40 4.30 -2.07 -1.26 -2.28 119.66 124.48 2k45 s GLN 70 Ca 0.05 1.23 -0.03 0.00 -1.82 0.00 0.00 55.36 54.79 2k45 s GLN 70 Cb -0.13 -3.55 0.10 0.00 -1.09 0.00 0.00 33.01 28.34 2k45 s GLN 70 CO -0.04 -0.31 0.18 -0.06 -1.32 0.00 0.00 175.29 173.74 2k45 s PHE 71 N 2.05 3.55 0.00 9.60 0.08 0.21 -4.87 117.98 128.58 2k45 s PHE 71 Ca 0.44 -2.33 0.00 0.00 0.12 0.00 0.00 56.93 55.16 2k45 s PHE 71 Cb -0.17 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 2k45 s PHE 71 CO 0.15 -0.95 0.00 2.41 -0.10 0.00 0.00 175.22 176.74 2k45 n THR 72 N 4.60 0.00 -3.04 0.64 -1.04 -1.26 -3.14 114.28 111.05 2k45 n THR 72 Ca -0.04 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 2k45 n THR 72 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 2k45 n THR 72 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2k45 n PHE 73 N 0.00 2.26 -2.34 -1.42 1.16 -1.12 -2.73 117.46 113.26 2k45 n PHE 73 Ca 0.00 -3.88 -0.28 0.00 -1.87 0.00 0.00 57.45 51.42 2k45 n PHE 73 Cb 0.00 -0.45 0.01 0.00 -1.61 0.00 0.00 39.48 37.43 2k45 n PHE 73 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2k45 n LYS 74 N -0.01 3.39 -3.66 3.97 4.76 -1.26 -4.67 118.16 120.68 2k45 n LYS 74 Ca 0.28 -4.35 -0.08 0.00 -2.87 0.00 0.00 58.31 51.29 2k45 n LYS 74 Cb 0.53 -2.26 -0.09 0.00 -1.84 0.00 0.00 35.03 31.37 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 -5.34 -0.55 0.97 -0.18 -7.23 -1.26 -4.70 120.40 102.12 2k45 s VAL 75 Ca 0.49 0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.67 2k45 s VAL 75 Cb 0.41 -0.72 0.18 0.00 0.56 0.00 0.00 36.38 36.80 2k45 s VAL 75 CO -0.17 0.05 1.12 -2.84 -0.31 0.00 0.00 175.10 172.95 2k45 s PRO 76 N 2.37 0.58 0.15 4.82 0.02 -0.86 -0.47 135.00 141.62 2k45 s PRO 76 Ca -0.04 1.37 -0.02 0.00 0.02 0.00 0.00 61.00 62.32 2k45 s PRO 76 Cb -0.11 -1.69 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 2k45 s PRO 76 CO -0.14 -2.87 1.37 0.10 -0.33 0.00 0.00 177.00 175.13 2k45 h TYR 77 N -2.04 0.55 -0.28 6.54 -0.00 -1.91 0.50 116.97 120.33 2k45 h TYR 77 Ca -0.48 -0.27 0.07 0.00 -0.00 0.00 0.00 58.73 58.05 2k45 h TYR 77 Cb 1.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.73 37.93 2k45 h TYR 77 CO 0.45 1.06 0.20 0.66 -0.00 0.00 0.00 178.16 180.53 2k45 h SER 78 N 0.24 0.06 1.26 0.10 4.64 -1.98 -0.68 113.55 117.19 2k45 h SER 78 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2k45 h SER 78 Cb 1.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2k45 h SER 78 CO 0.14 0.04 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.30 2k45 h GLU 79 N 0.07 0.00 -0.71 4.77 3.07 -1.69 -3.30 114.58 116.79 2k45 h GLU 79 Ca 0.13 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2k45 h GLU 79 Cb 0.43 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2k45 h GLU 79 CO -0.01 0.00 0.45 1.25 -1.40 0.00 0.00 179.01 179.30 2k45 h LEU 80 N 0.00 0.75 -0.62 1.33 5.85 0.68 -2.93 115.31 120.36 2k45 h LEU 80 Ca 0.00 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.84 2k45 h LEU 80 Cb 0.89 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.64 2k45 h LEU 80 CO 0.00 0.52 -0.07 1.23 -0.34 0.00 0.00 178.44 179.79 2k45 h GLY 81 N 0.89 0.58 0.73 3.75 0.00 -1.63 -2.97 103.07 104.41 2k45 h GLY 81 Ca 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 2k45 h GLY 81 CO -0.10 -0.22 -0.09 -1.33 0.00 0.00 0.00 176.54 174.80 2k45 h GLY 82 N 0.06 0.33 -3.27 4.60 0.00 -1.74 -3.31 103.07 99.75 2k45 h GLY 82 Ca 0.32 -0.32 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2k45 h GLY 82 CO -0.58 0.29 -0.15 -1.59 0.00 0.00 0.00 176.54 174.50 2k45 s LYS 83 N -4.45 3.64 -0.11 4.80 0.00 -1.12 -4.86 119.74 117.64 2k45 s LYS 83 Ca -0.14 0.01 0.02 0.00 0.00 0.00 0.00 55.97 55.85 2k45 s LYS 83 Cb 0.05 -2.66 -0.01 0.00 0.00 0.00 0.00 37.83 35.21 2k45 s LYS 83 CO 0.74 0.23 -0.18 0.95 0.00 0.00 0.00 175.35 177.09 2k45 s THR 84 N -2.05 2.63 -0.14 3.79 -4.23 -1.23 -2.23 115.64 112.18 2k45 s THR 84 Ca 0.44 -0.82 -0.19 0.00 -1.18 0.00 0.00 61.69 59.94 2k45 s THR 84 Cb -0.11 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 2k45 s THR 84 CO 0.29 0.54 0.52 -1.48 -0.54 0.00 0.00 174.62 173.96 2k45 s LEU 85 N 0.26 4.24 -0.09 4.79 2.34 0.20 -0.10 118.68 130.32 2k45 s LEU 85 Ca -0.12 0.82 0.03 0.00 0.06 0.00 0.00 54.13 54.92 2k45 s LEU 85 Cb -0.16 -2.75 0.01 0.00 -0.56 0.00 0.00 46.19 42.72 2k45 s LEU 85 CO 0.07 -0.07 -0.19 0.68 -1.06 0.00 0.00 176.35 175.77 2k45 s VAL 86 N 0.98 1.68 0.02 1.48 -7.23 -0.69 -1.34 120.40 115.30 2k45 s VAL 86 Ca 0.27 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.71 2k45 s VAL 86 Cb -0.15 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2k45 s VAL 86 CO 0.11 0.48 -0.18 -0.04 -0.31 0.00 0.00 175.10 175.15 2k45 s MET 87 N 0.53 1.32 -0.19 4.82 -1.94 -0.39 -1.28 119.30 122.17 2k45 s MET 87 Ca -0.16 -0.80 -0.05 0.00 -1.71 0.00 0.00 55.69 52.98 2k45 s MET 87 Cb -0.17 -1.36 0.06 0.00 2.01 0.00 0.00 34.83 35.38 2k45 s MET 87 CO 0.06 0.35 0.09 0.00 -0.01 0.00 0.00 175.02 175.51 2k45 s ALA 88 N -0.67 0.51 -0.28 3.03 0.00 0.17 0.74 121.76 125.27 2k45 s ALA 88 Ca 0.06 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2k45 s ALA 88 Cb -0.08 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 2k45 s ALA 88 CO 0.01 -1.23 1.32 0.08 0.00 0.00 0.00 175.76 175.94 2k45 s VAL 89 N 2.10 4.12 -0.12 0.00 1.01 0.15 0.13 120.40 127.80 2k45 s VAL 89 Ca 0.03 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.28 2k45 s VAL 89 Cb -0.16 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2k45 s VAL 89 CO -0.12 -0.42 -0.10 -0.47 0.00 0.00 0.00 175.10 173.99 2k45 s TYR 90 N 4.34 2.87 -0.13 5.22 6.14 0.45 -2.73 117.35 133.52 2k45 s TYR 90 Ca 0.57 -0.39 -0.14 0.00 0.64 0.00 0.00 57.07 57.75 2k45 s TYR 90 Cb -0.18 -1.82 -0.05 0.00 0.42 0.00 0.00 41.96 40.33 2k45 s TYR 90 CO 0.23 -0.04 0.31 0.34 0.64 0.00 0.00 175.55 177.03 2k45 s ASP 91 N 0.04 6.51 -0.31 4.32 2.15 -1.21 -2.35 116.67 125.83 2k45 s ASP 91 Ca -0.03 0.60 -0.29 0.00 0.43 0.00 0.00 52.55 53.26 2k45 s ASP 91 Cb -0.14 -2.19 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2k45 s ASP 91 CO 0.04 0.16 1.11 0.12 -0.17 0.00 0.00 175.17 176.43 2k45 s PHE 92 N 0.10 3.08 -2.12 -5.34 5.36 -1.13 -4.27 117.98 113.66 2k45 s PHE 92 Ca 0.18 1.15 0.16 0.00 -0.96 0.00 0.00 56.93 57.46 2k45 s PHE 92 Cb -0.14 -3.71 0.49 0.00 -0.34 0.00 0.00 43.02 39.32 2k45 s PHE 92 CO 0.06 -0.93 1.39 -3.47 -1.46 0.00 0.00 175.22 170.80 2k45 n ASP 93 N 6.96 2.14 0.00 6.13 -0.08 -1.25 -4.22 116.55 126.22 2k45 n ASP 93 Ca 0.12 -1.91 0.00 0.00 -1.51 0.00 0.00 54.79 51.49 2k45 n ASP 93 Cb 0.47 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.71 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k45 n ARG 94 N 0.65 0.00 0.07 -0.67 1.74 -1.26 -3.81 116.66 113.38 2k45 n ARG 94 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2k45 n ARG 94 Cb 0.36 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.10 -2.29 -1.03 -1.55 7.35 -1.26 -5.14 117.46 113.44 2k45 n PHE 95 Ca 0.00 0.38 -0.12 0.00 -0.76 0.00 0.00 57.45 56.94 2k45 n PHE 95 Cb 0.00 1.21 0.10 0.00 0.35 0.00 0.00 39.48 41.14 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 -2.81 -0.78 -4.67 -2.13 3.41 -1.25 -4.89 113.62 100.51 2k45 n SER 96 Ca 0.00 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 2k45 n SER 96 Cb 0.00 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 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 -4.12 4.16 -0.05 4.33 -2.85 -1.26 -4.64 119.74 115.31 2k45 s LYS 97 Ca 0.31 2.41 -0.30 0.00 -1.00 0.00 0.00 55.97 57.39 2k45 s LYS 97 Cb -0.02 -3.97 -0.05 0.00 -2.06 0.00 0.00 37.83 31.73 2k45 s LYS 97 CO 0.23 -0.87 1.61 -3.38 0.10 0.00 0.00 175.35 173.03 2k45 s HIS 98 N 3.89 2.13 -0.05 1.78 -3.43 -1.26 -4.89 115.29 113.47 2k45 s HIS 98 Ca 0.80 0.30 -0.22 0.00 -0.80 0.00 0.00 55.06 55.14 2k45 s HIS 98 Cb -0.39 -3.87 -0.04 0.00 -1.43 0.00 0.00 32.58 26.84 2k45 s HIS 98 CO 0.35 -3.61 0.65 0.34 -2.00 0.00 0.00 174.74 170.48 2k45 s ASP 99 N 3.07 6.97 0.14 7.38 2.15 -1.26 -4.92 116.67 130.19 2k45 s ASP 99 Ca 0.71 1.16 -0.31 0.00 0.43 0.00 0.00 52.55 54.54 2k45 s ASP 99 Cb -0.33 -2.39 -0.10 0.00 -0.30 0.00 0.00 42.92 39.80 2k45 s ASP 99 CO 0.28 -0.04 1.63 -0.63 -0.17 0.00 0.00 175.17 176.25 2k45 s ILE 100 N 0.46 2.69 -0.04 4.11 1.01 -1.25 -3.31 121.20 124.87 2k45 s ILE 100 Ca 0.35 0.39 -0.25 0.00 0.00 0.00 0.00 60.65 61.13 2k45 s ILE 100 Cb -0.18 -3.25 -0.21 0.00 0.01 0.00 0.00 42.46 38.84 2k45 s ILE 100 CO 0.17 0.02 1.16 0.16 0.00 0.00 0.00 174.94 176.45 2k45 h ILE 101 N 4.29 1.47 -2.24 2.92 3.07 -1.73 -3.42 117.51 121.87 2k45 h ILE 101 Ca -0.43 -1.47 0.21 0.00 1.55 0.00 0.00 64.86 64.72 2k45 h ILE 101 Cb 1.20 2.41 -0.07 0.00 -0.27 0.00 0.00 36.82 40.10 2k45 h ILE 101 CO 0.93 0.39 0.63 -0.83 -1.05 0.00 0.00 178.15 178.22 2k45 s GLY 102 N -3.48 -0.11 0.17 0.16 0.00 -1.11 -2.49 107.32 100.47 2k45 s GLY 102 Ca -0.16 0.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.40 2k45 s GLY 102 CO 0.70 1.62 0.48 1.85 0.00 0.00 0.00 173.10 177.75 2k45 s GLU 103 N -2.53 1.27 -0.02 2.90 2.12 0.29 0.33 118.70 123.06 2k45 s GLU 103 Ca 0.18 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.69 2k45 s GLU 103 Cb -0.01 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.89 2k45 s GLU 103 CO 0.02 -0.53 0.05 0.12 -0.54 0.00 0.00 175.26 174.38 2k45 s PHE 104 N -3.85 -0.04 -0.09 5.30 5.36 0.23 0.16 117.98 125.05 2k45 s PHE 104 Ca 0.07 0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2k45 s PHE 104 Cb 0.00 0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 2k45 s PHE 104 CO -0.06 -0.03 -0.03 0.15 -1.46 0.00 0.00 175.22 173.79 2k45 s LYS 105 N -0.01 0.93 -0.21 10.12 3.01 -1.26 -1.26 119.74 131.06 2k45 s LYS 105 Ca -0.00 -0.02 -0.04 0.00 -1.01 0.00 0.00 55.97 54.90 2k45 s LYS 105 Cb -0.01 -1.18 0.10 0.00 -1.01 0.00 0.00 37.83 35.73 2k45 s LYS 105 CO 0.00 -0.29 0.23 0.08 0.51 0.00 0.00 175.35 175.89 2k45 s VAL 106 N 1.86 -0.35 0.04 3.17 1.01 -0.45 -5.04 120.40 120.64 2k45 s VAL 106 Ca 0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2k45 s VAL 106 Cb -0.12 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 2k45 s VAL 106 CO -0.06 -0.20 1.76 -2.16 0.00 0.00 0.00 175.10 174.44 2k45 s PRO 107 N 2.34 4.17 0.48 2.72 0.04 -1.26 -0.63 135.00 142.87 2k45 s PRO 107 Ca 0.07 2.40 0.22 0.00 0.04 0.00 0.00 61.00 63.73 2k45 s PRO 107 Cb -0.16 -3.84 1.24 0.00 0.04 0.00 0.00 34.50 31.78 2k45 s PRO 107 CO -0.12 -0.83 2.02 0.52 0.04 0.00 0.00 177.00 178.63 2k45 h MET 108 N 9.26 0.00 0.00 4.56 2.86 -1.66 -1.23 114.93 128.71 2k45 h MET 108 Ca -0.44 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 2k45 h MET 108 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 2k45 h MET 108 CO 0.94 0.16 -0.33 -2.95 1.06 0.00 0.00 176.91 175.79 2k45 h ASN 109 N 0.00 0.00 0.62 1.22 7.08 -1.65 -2.99 115.58 119.86 2k45 h ASN 109 Ca -0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 2k45 h ASN 109 Cb 0.36 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.56 2k45 h ASN 109 CO 0.02 0.33 -1.53 0.41 -2.08 0.00 0.00 177.43 174.59 2k45 n THR 110 N -3.95 1.32 -3.26 6.14 -1.04 -0.51 -4.70 114.28 108.28 2k45 n THR 110 Ca -0.02 -0.73 -0.41 0.00 -2.04 0.00 0.00 64.05 60.86 2k45 n THR 110 Cb 0.39 -0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 68.00 2k45 n THR 110 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k45 s VAL 111 N -2.82 5.04 -0.29 12.58 0.11 -0.94 -5.04 120.40 129.05 2k45 s VAL 111 Ca -0.04 0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 59.14 2k45 s VAL 111 Cb 0.08 -3.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.03 2k45 s VAL 111 CO 0.82 -0.14 1.16 1.51 -3.33 0.00 0.00 175.10 175.12 2k45 s ASP 112 N 1.72 6.87 -1.27 3.54 -4.77 -1.26 -4.79 116.67 116.71 2k45 s ASP 112 Ca 0.18 1.20 -0.07 0.00 -3.30 0.00 0.00 52.55 50.56 2k45 s ASP 112 Cb -0.16 -2.54 0.17 0.00 -1.09 0.00 0.00 42.92 39.30 2k45 s ASP 112 CO 0.12 -0.91 2.03 0.49 0.70 0.00 0.00 175.17 177.60 2k45 n PHE 113 N 7.02 2.72 -0.06 2.11 3.01 -1.26 -4.54 117.46 126.45 2k45 n PHE 113 Ca 0.13 -2.77 -0.14 0.00 1.01 0.00 0.00 57.45 55.69 2k45 n PHE 113 Cb 0.47 -1.80 -0.12 0.00 -0.01 0.00 0.00 39.48 38.01 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2k45 h GLY 114 N 6.60 -0.00 0.00 1.37 0.00 -1.98 -3.47 103.07 105.59 2k45 h GLY 114 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2k45 h GLY 114 CO 1.53 -0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.49 2k45 n HIS 115 N -4.66 0.00 -5.19 5.60 8.25 -1.26 -4.96 115.22 113.00 2k45 n HIS 115 Ca -0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.04 2k45 n HIS 115 Cb 0.43 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.38 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 2.66 2.16 -0.61 1.59 -7.23 -1.26 -4.01 120.40 113.69 2k45 s VAL 116 Ca 0.00 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.97 2k45 s VAL 116 Cb 0.00 -1.82 0.09 0.00 0.56 0.00 0.00 36.38 35.21 2k45 s VAL 116 CO 0.00 0.56 0.79 -0.89 -0.31 0.00 0.00 175.10 175.25 2k45 s THR 117 N 0.20 4.64 -0.16 5.32 2.01 0.25 -4.91 115.64 123.00 2k45 s THR 117 Ca -0.14 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2k45 s THR 117 Cb -0.17 -4.55 0.04 0.00 0.01 0.00 0.00 72.50 67.83 2k45 s THR 117 CO 0.07 -1.23 -0.05 -1.83 -0.69 0.00 0.00 174.62 170.90 2k45 s GLU 118 N 3.18 1.37 0.15 4.92 4.04 -1.26 0.73 118.70 131.84 2k45 s GLU 118 Ca 0.16 -0.45 -0.25 0.00 0.04 0.00 0.00 54.97 54.47 2k45 s GLU 118 Cb -0.21 -1.91 0.06 0.00 0.02 0.00 0.00 34.13 32.09 2k45 s GLU 118 CO 0.08 -0.42 0.85 -1.83 -1.84 0.00 0.00 175.26 172.11 2k45 s GLU 119 N 1.67 1.27 -0.55 -4.83 -1.05 -0.27 -4.95 118.70 109.99 2k45 s GLU 119 Ca 0.01 -0.65 -0.28 0.00 -0.15 0.00 0.00 54.97 53.91 2k45 s GLU 119 Cb -0.15 0.47 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2k45 s GLU 119 CO -0.08 -0.58 1.59 -1.58 0.95 0.00 0.00 175.26 175.57 2k45 s TRP 120 N -3.45 2.04 -0.13 4.83 0.23 -1.26 -2.70 118.94 118.49 2k45 s TRP 120 Ca 0.09 0.56 -0.04 0.00 -2.03 0.00 0.00 56.10 54.69 2k45 s TRP 120 Cb -0.02 -4.28 -0.03 0.00 0.03 0.00 0.00 33.47 29.17 2k45 s TRP 120 CO -0.00 -2.22 -0.00 1.03 0.96 0.00 0.00 176.95 176.71 2k45 s ARG 121 N 5.96 3.47 -0.05 4.98 1.81 0.40 -4.85 118.95 130.67 2k45 s ARG 121 Ca 0.60 -0.44 -0.19 0.00 -1.72 0.00 0.00 55.73 53.98 2k45 s ARG 121 Cb -0.13 -2.92 -0.05 0.00 -0.45 0.00 0.00 34.95 31.40 2k45 s ARG 121 CO 0.25 0.43 0.52 -0.51 -0.68 0.00 0.00 175.30 175.30 2k45 s ASP 122 N -0.12 6.83 -0.74 0.23 1.11 -1.26 0.20 116.67 122.93 2k45 s ASP 122 Ca 0.04 0.99 -0.19 0.00 0.18 0.00 0.00 52.55 53.57 2k45 s ASP 122 Cb -0.13 -2.31 0.12 0.00 1.07 0.00 0.00 42.92 41.67 2k45 s ASP 122 CO 0.02 0.10 0.91 -0.22 1.18 0.00 0.00 175.17 177.16 2k45 s LEU 123 N -0.01 5.18 0.17 1.23 2.96 0.25 -4.78 118.68 123.69 2k45 s LEU 123 Ca 0.28 -1.65 -0.29 0.00 -0.22 0.00 0.00 54.13 52.25 2k45 s LEU 123 Cb -0.17 -2.35 -0.07 0.00 0.50 0.00 0.00 46.19 44.10 2k45 s LEU 123 CO 0.14 -1.12 0.91 0.00 -1.32 0.00 0.00 176.35 174.95 2k45 s GLN 124 N 2.76 4.73 -0.41 1.98 -2.07 0.43 -3.21 119.66 123.88 2k45 s GLN 124 Ca 0.21 1.39 -0.33 0.00 -1.82 0.00 0.00 55.36 54.81 2k45 s GLN 124 Cb -0.15 -3.32 -0.11 0.00 -1.09 0.00 0.00 33.01 28.34 2k45 s GLN 124 CO 0.01 0.40 2.27 -1.13 -1.32 0.00 0.00 175.29 175.52 2k45 n SER 125 N 2.06 2.09 -4.64 12.60 3.41 -1.26 0.10 113.62 127.99 2k45 n SER 125 Ca -0.01 0.25 -0.30 0.00 -0.26 0.00 0.00 58.87 58.55 2k45 n SER 125 Cb 0.48 -1.30 -0.09 0.00 -0.26 0.00 0.00 64.21 63.05 2k45 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k45 s ALA 126 N 8.20 3.14 -0.67 7.33 0.00 -1.26 -4.86 121.76 133.64 2k45 s ALA 126 Ca 1.10 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2k45 s ALA 126 Cb -0.76 -1.05 0.18 0.00 0.00 0.00 0.00 23.12 21.50 2k45 s ALA 126 CO 0.45 0.66 0.53 -0.85 0.00 0.00 0.00 175.76 176.55 2k45 n GLU 127 N 0.56 1.84 0.00 0.00 0.28 -1.26 -4.38 120.64 117.69 2k45 n GLU 127 Ca -0.12 -4.43 0.00 0.00 -0.16 0.00 0.00 57.16 52.46 2k45 n GLU 127 Cb 0.52 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.16 2k45 n GLU 127 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60