#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikf s VAL 2 N 0.00 3.16 -0.11 3.84 1.01 -1.26 -4.39 120.40 122.66 1ikf s VAL 2 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1ikf s VAL 2 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ikf s VAL 2 CO 0.00 0.56 -0.15 -0.75 0.00 0.00 0.00 175.10 174.76 1ikf s LYS 3 N -0.85 2.21 -0.18 2.72 2.20 -0.02 -4.96 119.74 120.86 1ikf s LYS 3 Ca 0.12 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1ikf s LYS 3 Cb -0.11 -1.88 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 1ikf s LYS 3 CO 0.01 -0.06 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.25 1ikf s LEU 4 N 0.97 2.20 -0.16 5.43 2.01 -1.26 -1.87 118.68 126.00 1ikf s LEU 4 Ca -0.07 -0.62 0.00 0.00 0.01 0.00 0.00 54.13 53.46 1ikf s LEU 4 Cb -0.15 -1.50 0.03 0.00 0.01 0.00 0.00 46.19 44.58 1ikf s LEU 4 CO -0.01 0.01 -0.12 -0.69 1.01 0.00 0.00 176.35 176.55 1ikf s VAL 5 N 1.24 1.51 -0.09 -1.59 1.01 0.19 -3.85 120.40 118.82 1ikf s VAL 5 Ca 0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1ikf s VAL 5 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ikf s VAL 5 CO -0.11 0.34 0.08 -1.61 0.00 0.00 0.00 175.10 173.81 1ikf s GLU 6 N 1.49 3.23 0.28 2.72 8.01 -1.26 -0.62 118.70 132.55 1ikf s GLU 6 Ca 0.03 -0.27 0.02 0.00 0.01 0.00 0.00 54.97 54.76 1ikf s GLU 6 Cb -0.14 -3.01 -0.05 0.00 -4.31 0.00 0.00 34.13 26.62 1ikf s GLU 6 CO -0.10 0.74 0.10 -1.54 0.01 0.00 0.00 175.26 174.47 1ikf s SER 7 N -1.05 1.42 0.00 -0.19 1.04 -0.67 -4.61 113.70 109.63 1ikf s SER 7 Ca 0.15 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1ikf s SER 7 Cb -0.12 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1ikf s SER 7 CO 0.05 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1ikf n GLY 8 N -0.52 1.49 3.85 7.32 0.00 -1.26 -1.73 105.19 114.34 1ikf n GLY 8 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ikf n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ikf s GLY 9 N -2.04 1.69 0.00 -0.02 0.00 -1.26 -4.61 107.32 101.08 1ikf s GLY 9 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1ikf s GLY 9 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.45 1ikf n GLY 10 N -3.00 -0.31 3.77 0.20 0.00 -1.02 -4.96 105.19 99.87 1ikf n GLY 10 Ca 0.12 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1ikf n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ikf s LEU 11 N 0.00 4.33 -0.02 0.99 0.20 -1.26 -2.88 118.68 120.04 1ikf s LEU 11 Ca 0.00 2.12 -0.03 0.00 0.69 0.00 0.00 54.13 56.91 1ikf s LEU 11 Cb 0.00 -3.94 0.00 0.00 -0.43 0.00 0.00 46.19 41.82 1ikf s LEU 11 CO 0.00 -0.31 0.07 0.68 -0.29 0.00 0.00 176.35 176.50 1ikf s VAL 12 N -1.44 0.03 0.54 1.68 -7.23 -0.88 -4.96 120.40 108.15 1ikf s VAL 12 Ca 0.52 -0.26 -0.20 0.00 -1.81 0.00 0.00 61.98 60.22 1ikf s VAL 12 Cb -0.26 -0.19 -0.06 0.00 0.56 0.00 0.00 36.38 36.43 1ikf s VAL 12 CO 0.33 -0.15 1.16 -1.10 -0.31 0.00 0.00 175.10 175.03 1ikf s GLN 13 N -0.44 3.32 0.29 4.82 -1.52 -1.24 -0.15 119.66 124.74 1ikf s GLN 13 Ca -0.05 1.70 -0.28 0.00 -1.95 0.00 0.00 55.36 54.77 1ikf s GLN 13 Cb -0.03 -2.05 -0.14 0.00 -0.22 0.00 0.00 33.01 30.57 1ikf s GLN 13 CO 0.00 -0.89 1.07 -0.35 -0.25 0.00 0.00 175.29 174.87 1ikf n PRO 14 N -1.24 1.47 0.00 2.91 -0.04 -1.26 -1.31 135.00 135.53 1ikf n PRO 14 Ca 0.11 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1ikf n PRO 14 Cb 0.50 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1ikf n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ikf n GLY 15 N 1.26 1.76 0.61 0.55 0.00 0.77 -4.95 105.19 105.19 1ikf n GLY 15 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1ikf n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ikf n GLY 16 N -2.00 -0.63 2.91 -0.02 0.00 -0.43 -4.06 105.19 100.96 1ikf n GLY 16 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1ikf n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ikf s SER 17 N -1.73 0.12 0.10 1.61 0.01 -1.26 -2.04 113.70 110.51 1ikf s SER 17 Ca 0.11 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.12 1ikf s SER 17 Cb -0.00 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.25 1ikf s SER 17 CO 0.08 -0.10 0.20 -0.22 0.41 0.00 0.00 173.24 173.61 1ikf s LEU 18 N -0.50 1.38 -0.06 2.44 2.96 -0.53 -5.00 118.68 119.37 1ikf s LEU 18 Ca -0.05 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.15 1ikf s LEU 18 Cb -0.03 1.03 0.03 0.00 0.50 0.00 0.00 46.19 47.72 1ikf s LEU 18 CO -0.00 -0.75 0.00 -0.75 -1.32 0.00 0.00 176.35 173.53 1ikf s LYS 19 N -3.88 0.53 0.19 1.98 2.20 -1.26 -0.59 119.74 118.90 1ikf s LYS 19 Ca 0.07 0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1ikf s LYS 19 Cb 0.05 -0.85 -0.03 0.00 -1.51 0.00 0.00 37.83 35.48 1ikf s LYS 19 CO -0.09 -0.26 0.30 -0.51 -0.36 0.00 0.00 175.35 174.43 1ikf s LEU 20 N 1.76 4.28 0.18 5.43 1.43 -0.44 -4.58 118.68 126.75 1ikf s LEU 20 Ca 0.01 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1ikf s LEU 20 Cb -0.13 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1ikf s LEU 20 CO -0.04 0.01 -0.10 -0.94 0.23 0.00 0.00 176.35 175.51 1ikf s SER 21 N -3.51 2.04 -0.25 2.29 1.04 -0.71 -2.56 113.70 112.04 1ikf s SER 21 Ca 0.34 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 1ikf s SER 21 Cb -0.10 -0.05 0.11 0.00 0.10 0.00 0.00 66.02 66.08 1ikf s SER 21 CO 0.28 -0.31 0.23 0.00 0.98 0.00 0.00 173.24 174.42 1ikf s ALA 23 N 2.29 3.58 -0.16 0.00 0.00 0.21 -1.36 121.76 126.33 1ikf s ALA 23 Ca 0.08 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ikf s ALA 23 Cb -0.15 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ikf s ALA 23 CO -0.25 -0.96 -0.14 0.95 0.00 0.00 0.00 175.76 175.35 1ikf s THR 24 N 2.88 2.75 0.14 0.00 -4.23 0.06 -0.64 115.64 116.60 1ikf s THR 24 Ca 0.53 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1ikf s THR 24 Cb -0.22 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1ikf s THR 24 CO 0.16 0.51 0.01 -0.94 -0.54 0.00 0.00 174.62 173.83 1ikf s SER 25 N 0.80 0.82 0.00 3.99 1.04 -0.78 -4.83 113.70 114.74 1ikf s SER 25 Ca -0.05 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1ikf s SER 25 Cb -0.15 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1ikf s SER 25 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1ikf n GLY 26 N -0.14 0.64 3.48 7.32 0.00 -1.26 -0.84 105.19 114.39 1ikf n GLY 26 Ca -0.07 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1ikf n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ikf s PHE 27 N -2.00 -0.60 -0.97 1.61 -0.71 -1.26 -4.67 117.98 109.38 1ikf s PHE 27 Ca 0.00 0.78 -0.23 0.00 -1.04 0.00 0.00 56.93 56.43 1ikf s PHE 27 Cb 0.00 0.47 0.05 0.00 -1.21 0.00 0.00 43.02 42.33 1ikf s PHE 27 CO 0.00 -0.70 1.41 0.99 -1.34 0.00 0.00 175.22 175.58 1ikf s THR 28 N -2.25 3.93 0.34 -4.49 2.01 -1.26 -4.81 115.64 109.11 1ikf s THR 28 Ca -0.06 -0.63 0.14 0.00 0.31 0.00 0.00 61.69 61.45 1ikf s THR 28 Cb -0.00 -5.02 0.35 0.00 0.01 0.00 0.00 72.50 67.83 1ikf s THR 28 CO 0.00 -1.90 1.61 0.15 -0.69 0.00 0.00 174.62 173.78 1ikf h PHE 29 N 9.79 0.64 0.00 4.92 3.57 -1.93 0.68 116.94 134.60 1ikf h PHE 29 Ca 0.13 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1ikf h PHE 29 Cb 1.02 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1ikf h PHE 29 CO 1.25 -0.36 0.01 0.43 -2.23 0.00 0.00 178.31 177.40 1ikf n SER 30 N -5.24 0.39 -0.85 0.41 7.64 -1.26 -1.49 113.62 113.21 1ikf n SER 30 Ca 0.32 0.68 0.10 0.00 1.01 0.00 0.00 58.87 60.98 1ikf n SER 30 Cb 1.05 -0.73 0.11 0.00 -1.01 0.00 0.00 64.21 63.63 1ikf n SER 30 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ikf n ASP 31 N -2.03 2.82 -4.46 6.43 8.00 0.23 -4.59 116.55 122.95 1ikf n ASP 31 Ca -0.01 -1.85 -0.31 0.00 0.71 0.00 0.00 54.79 53.33 1ikf n ASP 31 Cb 0.03 -0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 1ikf n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ikf s TYR 32 N -1.53 2.58 0.35 1.24 1.51 -0.56 -4.94 117.35 116.00 1ikf s TYR 32 Ca 0.26 -0.24 -0.25 0.00 -1.01 0.00 0.00 57.07 55.83 1ikf s TYR 32 Cb 0.17 -1.48 -0.10 0.00 -0.11 0.00 0.00 41.96 40.45 1ikf s TYR 32 CO 0.25 0.25 0.97 0.71 -1.11 0.00 0.00 175.55 176.63 1ikf s TYR 33 N -0.92 3.55 0.11 2.71 1.51 -1.26 -3.50 117.35 119.55 1ikf s TYR 33 Ca 0.15 1.73 0.08 0.00 -1.01 0.00 0.00 57.07 58.01 1ikf s TYR 33 Cb -0.11 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1ikf s TYR 33 CO 0.05 -0.04 -0.14 -1.64 -1.11 0.00 0.00 175.55 172.67 1ikf s MET 34 N -2.27 1.98 0.05 -0.62 -1.94 -0.76 -2.37 119.30 113.38 1ikf s MET 34 Ca 0.53 -1.09 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1ikf s MET 34 Cb -0.19 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 1ikf s MET 34 CO 0.24 0.50 -0.06 0.71 -0.01 0.00 0.00 175.02 176.40 1ikf s TYR 35 N -1.17 0.56 -0.07 -0.03 1.51 -0.50 -1.59 117.35 116.06 1ikf s TYR 35 Ca 0.20 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1ikf s TYR 35 Cb -0.11 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1ikf s TYR 35 CO 0.12 -0.16 -0.15 -1.58 -1.11 0.00 0.00 175.55 172.67 1ikf s TRP 36 N -2.07 2.71 0.14 2.71 0.52 -0.49 -2.43 118.94 120.03 1ikf s TRP 36 Ca -0.06 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 55.85 1ikf s TRP 36 Cb -0.05 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1ikf s TRP 36 CO -0.02 0.08 -0.18 0.08 0.02 0.00 0.00 176.95 176.92 1ikf s VAL 37 N -0.46 1.74 0.03 4.03 1.01 -0.85 -0.83 120.40 125.07 1ikf s VAL 37 Ca 0.06 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 1ikf s VAL 37 Cb -0.12 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1ikf s VAL 37 CO 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 175.10 174.83 1ikf s ARG 38 N -2.55 0.44 -0.05 2.72 1.70 0.86 -0.95 118.95 121.12 1ikf s ARG 38 Ca 0.13 -0.85 -0.02 0.00 -0.47 0.00 0.00 55.73 54.52 1ikf s ARG 38 Cb -0.07 0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1ikf s ARG 38 CO 0.06 -0.08 0.11 -1.14 -1.08 0.00 0.00 175.30 173.17 1ikf s GLN 39 N -2.45 0.06 0.43 3.89 0.74 -0.84 -0.52 119.66 120.98 1ikf s GLN 39 Ca -0.07 0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.66 1ikf s GLN 39 Cb -0.03 -0.18 0.08 0.00 1.10 0.00 0.00 33.01 33.99 1ikf s GLN 39 CO -0.05 -0.15 0.59 0.27 -0.55 0.00 0.00 175.29 175.41 1ikf n ASN 40 N 4.09 1.02 0.26 6.67 0.23 -1.14 -0.50 115.26 125.89 1ikf n ASN 40 Ca -0.26 -1.81 0.11 0.00 -0.53 0.00 0.00 54.58 52.10 1ikf n ASN 40 Cb 0.52 -0.36 0.74 0.00 -2.08 0.00 0.00 39.78 38.60 1ikf n ASN 40 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ikf h SER 41 N -0.23 0.00 -0.08 0.53 4.64 -1.93 -0.94 113.55 115.54 1ikf h SER 41 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1ikf h SER 41 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1ikf h SER 41 CO 0.23 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.57 1ikf n GLU 42 N -4.28 1.23 -1.52 4.77 1.02 -1.26 -4.92 120.64 115.68 1ikf n GLU 42 Ca -0.02 -0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 56.58 1ikf n GLU 42 Cb 0.12 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 1ikf n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ikf n LYS 43 N -0.32 -1.25 -2.87 3.49 4.76 -0.36 -5.01 118.16 116.61 1ikf n LYS 43 Ca 0.09 1.13 -0.41 0.00 -2.87 0.00 0.00 58.31 56.25 1ikf n LYS 43 Cb 0.11 -5.39 -0.04 0.00 -1.84 0.00 0.00 35.03 27.88 1ikf n LYS 43 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ikf s ARG 44 N -3.51 4.51 0.04 1.97 1.81 -1.26 -4.84 118.95 117.67 1ikf s ARG 44 Ca 0.00 1.18 -0.08 0.00 -1.72 0.00 0.00 55.73 55.10 1ikf s ARG 44 Cb 0.00 -3.45 -0.05 0.00 -0.45 0.00 0.00 34.95 31.00 1ikf s ARG 44 CO 0.00 0.03 0.33 -0.51 -0.68 0.00 0.00 175.30 174.47 1ikf s LEU 45 N 0.82 4.37 -0.02 2.53 1.43 -1.26 -2.89 118.68 123.66 1ikf s LEU 45 Ca 0.45 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1ikf s LEU 45 Cb -0.20 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.25 1ikf s LEU 45 CO 0.24 0.22 0.02 -0.70 0.23 0.00 0.00 176.35 176.36 1ikf s GLU 46 N -1.78 0.05 -0.01 1.70 2.12 0.33 -4.96 118.70 116.15 1ikf s GLU 46 Ca 0.30 0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 1ikf s GLU 46 Cb -0.14 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.91 1ikf s GLU 46 CO 0.17 -0.15 0.85 -0.46 -0.54 0.00 0.00 175.26 175.12 1ikf s TRP 47 N 1.02 3.65 -0.17 5.30 -0.00 -1.26 -0.10 118.94 127.38 1ikf s TRP 47 Ca -0.09 1.51 0.02 0.00 -0.00 0.00 0.00 56.10 57.54 1ikf s TRP 47 Cb -0.13 -2.96 -0.12 0.00 -0.00 0.00 0.00 33.47 30.27 1ikf s TRP 47 CO -0.03 0.09 -0.14 1.33 -0.00 0.00 0.00 176.95 178.20 1ikf n VAL 48 N 3.60 0.98 -3.70 5.86 0.24 -0.01 -4.67 118.33 120.63 1ikf n VAL 48 Ca 0.02 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 1ikf n VAL 48 Cb 0.51 -1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 31.78 1ikf n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ikf s ALA 49 N -2.34 -1.54 -0.02 2.33 0.00 -1.21 -1.23 121.76 117.75 1ikf s ALA 49 Ca -0.22 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 1ikf s ALA 49 Cb 0.06 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1ikf s ALA 49 CO 0.40 -0.95 0.23 -0.59 0.00 0.00 0.00 175.76 174.85 1ikf s PHE 50 N -3.52 -0.09 -0.01 0.00 -0.12 -0.71 -1.40 117.98 112.13 1ikf s PHE 50 Ca 0.09 0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.14 1ikf s PHE 50 Cb -0.03 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1ikf s PHE 50 CO -0.00 -0.31 -0.08 -1.50 -0.05 0.00 0.00 175.22 173.27 1ikf s ILE 51 N -1.17 0.66 0.59 -4.49 2.07 -0.62 -0.63 121.20 117.60 1ikf s ILE 51 Ca -0.12 -0.35 -0.18 0.00 -1.41 0.00 0.00 60.65 58.58 1ikf s ILE 51 Cb -0.06 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 1ikf s ILE 51 CO 0.03 0.19 1.16 -0.94 -1.91 0.00 0.00 174.94 173.47 1ikf s SER 52 N -0.16 5.34 0.30 4.50 1.04 0.52 -1.83 113.70 123.41 1ikf s SER 52 Ca 0.03 2.24 0.05 0.00 0.48 0.00 0.00 55.95 58.75 1ikf s SER 52 Cb -0.04 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.22 1ikf s SER 52 CO -0.00 -1.48 1.77 -0.55 0.98 0.00 0.00 173.24 173.95 1ikf h ASN 53 N 0.82 0.73 0.19 7.02 -1.07 -1.85 0.92 115.58 122.34 1ikf h ASN 53 Ca -0.50 0.10 -0.05 0.00 0.07 0.00 0.00 56.30 55.93 1ikf h ASN 53 Cb 1.28 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 37.49 1ikf h ASN 53 CO 0.55 0.25 -0.20 1.23 0.07 0.00 0.00 177.43 179.33 1ikf h GLY 54 N 0.72 0.03 0.00 9.14 0.00 -1.88 -3.47 103.07 107.61 1ikf h GLY 54 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1ikf h GLY 54 CO -0.39 0.02 0.00 0.61 0.00 0.00 0.00 176.54 176.78 1ikf n GLY 55 N -0.92 2.88 0.47 4.60 0.00 0.32 -4.99 105.19 107.55 1ikf n GLY 55 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1ikf n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ikf h GLY 56 N 0.00 -1.24 -5.58 -0.02 0.00 -1.91 -3.42 103.07 90.89 1ikf h GLY 56 Ca 0.00 0.56 -0.66 0.00 0.00 0.00 0.00 47.33 47.23 1ikf h GLY 56 CO 0.00 -0.38 -0.63 -0.56 0.00 0.00 0.00 176.54 174.97 1ikf s SER 57 N -4.12 5.17 -0.07 0.19 0.01 -1.26 -5.00 113.70 108.61 1ikf s SER 57 Ca -0.17 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1ikf s SER 57 Cb 0.04 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1ikf s SER 57 CO 0.55 0.28 -0.19 0.00 0.41 0.00 0.00 173.24 174.30 1ikf s ALA 58 N -0.31 1.72 0.04 1.44 0.00 -1.26 -0.36 121.76 123.04 1ikf s ALA 58 Ca 0.06 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.38 1ikf s ALA 58 Cb -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1ikf s ALA 58 CO 0.02 0.24 -0.24 0.12 0.00 0.00 0.00 175.76 175.89 1ikf s PHE 59 N 0.36 2.14 0.04 0.00 2.19 0.20 -4.97 117.98 117.94 1ikf s PHE 59 Ca -0.13 -0.40 0.06 0.00 0.33 0.00 0.00 56.93 56.79 1ikf s PHE 59 Cb -0.16 -1.29 -0.02 0.00 -1.31 0.00 0.00 43.02 40.24 1ikf s PHE 59 CO 0.05 0.10 -0.18 0.71 1.83 0.00 0.00 175.22 177.73 1ikf s TYR 60 N -0.78 1.60 0.15 10.12 2.02 -1.26 -1.74 117.35 127.45 1ikf s TYR 60 Ca 0.10 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 1ikf s TYR 60 Cb -0.10 -0.95 -0.07 0.00 -0.40 0.00 0.00 41.96 40.44 1ikf s TYR 60 CO 0.02 0.07 1.10 0.00 -1.57 0.00 0.00 175.55 175.17 1ikf s ALA 61 N -0.81 3.35 0.23 3.71 0.00 -0.37 -4.86 121.76 123.02 1ikf s ALA 61 Ca 0.05 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 1ikf s ALA 61 Cb -0.08 -3.36 0.26 0.00 0.00 0.00 0.00 23.12 19.94 1ikf s ALA 61 CO 0.02 -0.23 1.56 -0.44 0.00 0.00 0.00 175.76 176.67 1ikf h ASP 62 N 5.49 -1.23 0.00 0.00 3.32 -1.95 -1.00 116.42 121.06 1ikf h ASP 62 Ca -0.44 0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ikf h ASP 62 Cb 1.21 0.67 0.00 0.00 0.22 0.00 0.00 39.33 41.43 1ikf h ASP 62 CO 0.74 -0.30 0.16 2.30 -1.72 0.00 0.00 179.24 180.43 1ikf n ILE 63 N -5.50 1.27 -0.31 0.35 -5.35 -1.26 -1.51 119.36 107.05 1ikf n ILE 63 Ca 0.10 0.55 0.00 0.00 -0.27 0.00 0.00 62.75 63.13 1ikf n ILE 63 Cb 0.41 -1.55 0.00 0.00 -1.74 0.00 0.00 39.64 36.76 1ikf n ILE 63 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1ikf n VAL 64 N -1.50 0.00 -1.76 7.28 0.24 -0.44 -5.00 118.33 117.15 1ikf n VAL 64 Ca -0.00 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 1ikf n VAL 64 Cb 0.17 1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 1ikf n VAL 64 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ikf s LYS 65 N -0.15 3.98 0.00 7.34 2.20 -0.57 -1.23 119.74 131.32 1ikf s LYS 65 Ca 0.00 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1ikf s LYS 65 Cb 0.00 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 1ikf s LYS 65 CO 0.00 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 1ikf n GLY 66 N 4.64 2.89 0.08 5.54 0.00 -1.26 -4.80 105.19 112.27 1ikf n GLY 66 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1ikf n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ikf n ARG 67 N -0.99 1.17 -4.66 1.61 1.74 -0.78 -5.00 116.66 109.75 1ikf n ARG 67 Ca 0.00 0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.79 1ikf n ARG 67 Cb 0.00 -1.34 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 1ikf n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ikf s PHE 68 N -2.33 2.90 -0.09 -1.55 0.40 -0.36 -2.20 117.98 114.75 1ikf s PHE 68 Ca -0.14 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1ikf s PHE 68 Cb 0.05 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1ikf s PHE 68 CO 0.48 0.21 -0.11 0.99 0.70 0.00 0.00 175.22 177.48 1ikf s THR 69 N -0.53 3.26 0.08 0.64 2.01 -0.76 -4.82 115.64 115.53 1ikf s THR 69 Ca 0.08 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1ikf s THR 69 Cb -0.12 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1ikf s THR 69 CO 0.02 0.57 -0.00 -0.51 -0.69 0.00 0.00 174.62 174.00 1ikf s ILE 70 N -0.34 4.02 0.19 1.82 2.07 -1.26 -1.23 121.20 126.47 1ikf s ILE 70 Ca 0.04 -0.96 -0.21 0.00 -1.41 0.00 0.00 60.65 58.11 1ikf s ILE 70 Cb -0.13 -2.90 0.05 0.00 0.13 0.00 0.00 42.46 39.61 1ikf s ILE 70 CO 0.02 0.14 0.60 -0.94 -1.91 0.00 0.00 174.94 172.86 1ikf s SER 71 N -2.24 -0.42 0.04 4.50 1.04 -0.95 -5.00 113.70 110.67 1ikf s SER 71 Ca 0.25 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 1ikf s SER 71 Cb -0.12 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1ikf s SER 71 CO 0.17 -1.06 0.01 0.00 0.98 0.00 0.00 173.24 173.34 1ikf s ARG 72 N -3.81 0.50 -0.39 4.02 1.70 -1.26 -0.35 118.95 119.35 1ikf s ARG 72 Ca 0.05 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.48 1ikf s ARG 72 Cb -0.02 0.18 0.11 0.00 -0.57 0.00 0.00 34.95 34.65 1ikf s ARG 72 CO -0.07 -0.10 0.11 0.34 -1.08 0.00 0.00 175.30 174.50 1ikf s ASP 73 N -2.16 4.67 0.47 -2.89 -1.08 -0.45 -4.96 116.67 110.27 1ikf s ASP 73 Ca -0.05 -2.37 0.13 0.00 -0.52 0.00 0.00 52.55 49.74 1ikf s ASP 73 Cb -0.01 -1.64 1.07 0.00 -1.46 0.00 0.00 42.92 40.88 1ikf s ASP 73 CO -0.05 -0.35 2.07 0.78 0.52 0.00 0.00 175.17 178.14 1ikf h ASN 74 N 7.34 0.13 0.44 -0.34 2.35 -1.94 -1.08 115.58 122.49 1ikf h ASN 74 Ca -0.05 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1ikf h ASN 74 Cb 0.99 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1ikf h ASN 74 CO 0.57 0.16 -0.28 0.00 -1.65 0.00 0.00 177.43 176.22 1ikf h ALA 75 N 1.87 1.31 -0.23 -0.83 0.00 -1.94 -3.19 119.26 116.25 1ikf h ALA 75 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ikf h ALA 75 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ikf h ALA 75 CO -0.00 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.23 1ikf n LYS 76 N -3.88 2.18 -2.50 0.00 5.02 -0.46 -4.97 118.16 113.55 1ikf n LYS 76 Ca -0.02 -1.75 -0.21 0.00 -2.02 0.00 0.00 58.31 54.32 1ikf n LYS 76 Cb 0.36 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1ikf n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ikf n ASN 77 N 0.47 -5.96 -4.25 4.39 5.03 -0.92 -4.86 115.26 109.16 1ikf n ASN 77 Ca 0.09 -0.06 -0.29 0.00 0.87 0.00 0.00 54.58 55.19 1ikf n ASN 77 Cb 0.37 -4.93 -0.16 0.00 -1.02 0.00 0.00 39.78 34.03 1ikf n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ikf s THR 78 N -3.06 1.82 0.07 3.41 2.01 -1.18 -0.76 115.64 117.95 1ikf s THR 78 Ca 0.05 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.16 1ikf s THR 78 Cb -0.02 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1ikf s THR 78 CO 0.06 0.51 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.09 1ikf s LEU 79 N -0.48 2.55 0.15 4.42 1.98 -0.46 -1.33 118.68 125.50 1ikf s LEU 79 Ca 0.07 -0.52 0.08 0.00 -2.89 0.00 0.00 54.13 50.87 1ikf s LEU 79 Cb -0.09 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 45.25 1ikf s LEU 79 CO -0.00 0.23 -0.17 -0.31 -1.89 0.00 0.00 176.35 174.20 1ikf s TYR 80 N -0.98 1.72 -0.21 5.38 2.02 0.52 -0.28 117.35 125.51 1ikf s TYR 80 Ca 0.15 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1ikf s TYR 80 Cb -0.10 -0.87 0.06 0.00 -0.40 0.00 0.00 41.96 40.64 1ikf s TYR 80 CO 0.06 0.28 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.14 1ikf s LEU 81 N -2.57 1.82 -0.17 -1.29 0.20 -1.06 -2.24 118.68 113.38 1ikf s LEU 81 Ca 0.13 -0.97 -0.19 0.00 0.69 0.00 0.00 54.13 53.79 1ikf s LEU 81 Cb -0.06 -0.87 -0.03 0.00 -0.43 0.00 0.00 46.19 44.80 1ikf s LEU 81 CO 0.06 -0.27 0.55 -1.58 -0.29 0.00 0.00 176.35 174.81 1ikf s GLN 82 N 1.64 4.25 -0.26 1.98 2.00 -0.37 -1.32 119.66 127.59 1ikf s GLN 82 Ca -0.03 0.51 -0.05 0.00 -2.00 0.00 0.00 55.36 53.79 1ikf s GLN 82 Cb -0.18 -3.52 0.00 0.00 0.80 0.00 0.00 33.01 30.11 1ikf s GLN 82 CO -0.07 -0.07 0.02 -1.64 -0.50 0.00 0.00 175.29 173.03 1ikf s MET 83 N 1.37 3.16 0.36 1.67 -1.94 0.25 -1.83 119.30 122.33 1ikf s MET 83 Ca 0.27 -0.79 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 1ikf s MET 83 Cb -0.16 -3.21 -0.07 0.00 2.01 0.00 0.00 34.83 33.40 1ikf s MET 83 CO 0.11 -0.36 0.03 -1.54 -0.01 0.00 0.00 175.02 173.25 1ikf s SER 84 N 1.47 3.14 -1.60 3.03 1.04 -0.93 -1.45 113.70 118.40 1ikf s SER 84 Ca 0.03 -1.36 -0.01 0.00 0.48 0.00 0.00 55.95 55.09 1ikf s SER 84 Cb -0.16 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1ikf s SER 84 CO -0.00 -0.51 0.07 0.54 0.98 0.00 0.00 173.24 174.32 1ikf n ARG 85 N -0.82 -2.17 -1.62 4.02 1.74 -0.87 -4.60 116.66 112.34 1ikf n ARG 85 Ca -0.04 0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 57.54 1ikf n ARG 85 Cb 0.67 -5.58 0.01 0.00 -1.02 0.00 0.00 32.46 26.54 1ikf n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ikf n LEU 86 N -3.09 2.83 -4.38 0.55 7.99 -1.09 -4.57 117.00 115.24 1ikf n LEU 86 Ca -0.21 1.03 -0.27 0.00 -0.01 0.00 0.00 56.01 56.55 1ikf n LEU 86 Cb 0.66 -1.37 -0.12 0.00 -0.11 0.00 0.00 43.42 42.48 1ikf n LEU 86 CO 0.29 -1.42 -0.54 -0.54 -1.51 0.00 0.00 177.39 173.67 1ikf s LYS 87 N -2.08 1.39 0.56 3.23 1.02 -1.26 -0.16 119.74 122.44 1ikf s LYS 87 Ca 0.64 -1.39 0.26 0.00 0.02 0.00 0.00 55.97 55.49 1ikf s LYS 87 Cb -0.54 -1.75 1.51 0.00 -0.52 0.00 0.00 37.83 36.53 1ikf s LYS 87 CO 0.56 0.39 2.05 0.66 -0.92 0.00 0.00 175.35 178.10 1ikf h SER 88 N 3.59 0.00 -0.50 2.83 4.64 -1.95 0.10 113.55 122.26 1ikf h SER 88 Ca -0.48 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.96 1ikf h SER 88 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1ikf h SER 88 CO 0.44 0.00 0.35 -0.33 -0.87 0.00 0.00 176.83 176.41 1ikf h GLU 89 N 0.00 0.15 0.00 4.77 3.07 -1.96 -0.98 114.58 119.63 1ikf h GLU 89 Ca 0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1ikf h GLU 89 Cb 0.66 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1ikf h GLU 89 CO -0.00 0.10 0.00 -0.25 -1.40 0.00 0.00 179.01 177.46 1ikf n ASP 90 N -4.44 0.00 -4.69 1.42 8.00 0.36 -4.73 116.55 112.47 1ikf n ASP 90 Ca 0.08 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.57 1ikf n ASP 90 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1ikf n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ikf s THR 91 N -2.00 3.74 -0.01 -3.53 2.01 -0.37 -4.89 115.64 110.59 1ikf s THR 91 Ca 0.18 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 1ikf s THR 91 Cb 0.08 -3.75 0.11 0.00 0.01 0.00 0.00 72.50 68.96 1ikf s THR 91 CO 0.14 0.02 1.28 0.00 -0.69 0.00 0.00 174.62 175.37 1ikf s ALA 92 N 2.05 -2.25 -0.14 7.40 0.00 -0.98 -4.71 121.76 123.13 1ikf s ALA 92 Ca 0.63 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 1ikf s ALA 92 Cb -0.31 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1ikf s ALA 92 CO 0.27 -1.07 0.63 1.41 0.00 0.00 0.00 175.76 177.00 1ikf s MET 93 N -2.36 4.31 -0.18 0.00 -2.45 0.35 -1.69 119.30 117.29 1ikf s MET 93 Ca 0.17 0.69 -0.09 0.00 -1.25 0.00 0.00 55.69 55.21 1ikf s MET 93 Cb 0.04 -3.51 -0.05 0.00 1.25 0.00 0.00 34.83 32.56 1ikf s MET 93 CO -0.03 -0.07 0.13 0.71 1.05 0.00 0.00 175.02 176.80 1ikf s TYR 94 N 1.32 3.44 0.24 4.11 1.51 0.75 -1.98 117.35 126.75 1ikf s TYR 94 Ca 0.32 0.36 0.09 0.00 -1.01 0.00 0.00 57.07 56.82 1ikf s TYR 94 Cb -0.16 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1ikf s TYR 94 CO 0.13 0.39 0.00 0.71 -1.11 0.00 0.00 175.55 175.67 1ikf s TYR 95 N 0.03 2.74 0.02 2.71 2.02 -0.12 -1.23 117.35 123.51 1ikf s TYR 95 Ca 0.09 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1ikf s TYR 95 Cb -0.11 -1.24 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1ikf s TYR 95 CO -0.00 0.59 -0.09 0.00 -1.57 0.00 0.00 175.55 174.48 1ikf s THR 97 N -0.61 0.02 0.13 0.00 -4.23 -1.02 -1.73 115.64 108.21 1ikf s THR 97 Ca -0.00 -1.94 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 1ikf s THR 97 Cb -0.06 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1ikf s THR 97 CO 0.00 -0.09 -0.26 0.00 -0.54 0.00 0.00 174.62 173.73 1ikf s ARG 98 N -4.13 1.39 0.94 3.99 1.70 -1.12 -1.41 118.95 120.32 1ikf s ARG 98 Ca 0.35 -1.35 -0.12 0.00 -0.47 0.00 0.00 55.73 54.15 1ikf s ARG 98 Cb 0.07 -1.87 0.15 0.00 -0.57 0.00 0.00 34.95 32.73 1ikf s ARG 98 CO 0.10 0.44 1.09 -3.38 -1.08 0.00 0.00 175.30 172.47 1ikf s HIS 99 N -1.10 2.13 -0.20 5.89 -3.43 -1.00 -2.05 115.29 115.54 1ikf s HIS 99 Ca 0.14 1.26 -0.12 0.00 -0.80 0.00 0.00 55.06 55.54 1ikf s HIS 99 Cb -0.10 -3.18 0.06 0.00 -1.43 0.00 0.00 32.58 27.94 1ikf s HIS 99 CO 0.06 -2.64 0.49 0.99 -2.00 0.00 0.00 174.74 171.64 1ikf s THR 100 N -2.86 -0.02 -0.36 -5.38 2.01 0.06 -4.79 115.64 104.30 1ikf s THR 100 Ca 0.64 0.06 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 1ikf s THR 100 Cb -0.19 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1ikf s THR 100 CO 0.58 0.02 0.39 -0.76 -0.69 0.00 0.00 174.62 174.16 1ikf s LEU 101 N 1.26 4.56 0.15 4.42 1.43 -1.26 -0.66 118.68 128.57 1ikf s LEU 101 Ca -0.08 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1ikf s LEU 101 Cb -0.07 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1ikf s LEU 101 CO -0.12 -0.41 0.38 -0.31 0.23 0.00 0.00 176.35 176.11 1ikf s TYR 102 N 2.07 3.48 -0.23 0.29 1.51 0.04 -4.84 117.35 119.66 1ikf s TYR 102 Ca 0.12 0.51 -0.26 0.00 -1.01 0.00 0.00 57.07 56.42 1ikf s TYR 102 Cb -0.17 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1ikf s TYR 102 CO 0.12 0.42 0.91 0.16 -1.11 0.00 0.00 175.55 176.06 1ikf s ASP 103 N -2.58 6.94 0.26 2.29 -4.77 -1.26 0.35 116.67 117.90 1ikf s ASP 103 Ca 0.40 1.18 0.10 0.00 -3.30 0.00 0.00 52.55 50.93 1ikf s ASP 103 Cb -0.12 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 1ikf s ASP 103 CO 0.26 -0.57 -0.03 -0.89 0.70 0.00 0.00 175.17 174.64 1ikf s THR 104 N 2.96 3.34 0.28 2.11 2.01 -0.44 -4.90 115.64 120.99 1ikf s THR 104 Ca 0.39 -1.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.43 1ikf s THR 104 Cb -0.15 -2.77 0.28 0.00 0.01 0.00 0.00 72.50 69.86 1ikf s THR 104 CO 0.07 -0.36 1.89 0.25 -0.69 0.00 0.00 174.62 175.78 1ikf h LEU 105 N 1.98 0.97 -3.06 4.42 5.85 -2.02 -3.26 115.31 120.19 1ikf h LEU 105 Ca -0.44 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1ikf h LEU 105 Cb 1.25 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1ikf h LEU 105 CO 0.60 0.61 -0.34 -1.22 -0.34 0.00 0.00 178.44 177.75 1ikf n TYR 106 N -4.50 0.18 0.00 1.25 4.01 -1.26 -5.06 117.16 111.78 1ikf n TYR 106 Ca 0.15 -1.42 0.00 0.00 -0.16 0.00 0.00 57.90 56.47 1ikf n TYR 106 Cb 0.21 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1ikf n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ikf n GLY 107 N -1.16 -0.37 3.34 2.72 0.00 -1.23 -5.12 105.19 103.37 1ikf n GLY 107 Ca 0.21 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1ikf n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ikf s ASN 108 N 0.00 3.18 -0.24 1.61 0.01 -1.26 -1.33 114.94 116.91 1ikf s ASN 108 Ca 0.00 -0.50 -0.08 0.00 -0.71 0.00 0.00 52.86 51.57 1ikf s ASN 108 Cb 0.00 -0.36 -0.04 0.00 0.41 0.00 0.00 41.25 41.26 1ikf s ASN 108 CO 0.00 0.30 0.09 -0.47 -1.51 0.00 0.00 177.10 175.50 1ikf s TYR 109 N -0.70 3.15 -0.35 2.20 5.04 0.16 -4.86 117.35 121.99 1ikf s TYR 109 Ca 0.11 -0.20 -0.21 0.00 -2.44 0.00 0.00 57.07 54.33 1ikf s TYR 109 Cb -0.10 -2.22 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1ikf s TYR 109 CO 0.00 -0.19 0.68 -1.25 -1.34 0.00 0.00 175.55 173.46 1ikf s PRO 110 N 1.31 3.76 -0.26 4.97 0.04 -1.26 -0.78 135.00 142.78 1ikf s PRO 110 Ca 0.05 0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.20 1ikf s PRO 110 Cb -0.15 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 1ikf s PRO 110 CO 0.04 -0.73 0.13 0.08 0.04 0.00 0.00 177.00 176.55 1ikf s VAL 111 N 2.81 4.80 0.10 -0.36 1.01 0.16 -4.98 120.40 123.94 1ikf s VAL 111 Ca 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1ikf s VAL 111 Cb -0.14 -3.26 -0.25 0.00 0.00 0.00 0.00 36.38 32.73 1ikf s VAL 111 CO 0.15 0.30 1.21 -0.50 0.00 0.00 0.00 175.10 176.26 1ikf h TRP 112 N 8.21 0.45 -2.27 5.22 4.06 -1.88 0.20 115.95 129.95 1ikf h TRP 112 Ca -0.37 -0.31 -0.69 0.00 2.06 0.00 0.00 58.89 59.59 1ikf h TRP 112 Cb 1.18 -0.03 -0.35 0.00 -1.00 0.00 0.00 29.16 28.96 1ikf h TRP 112 CO 0.71 1.20 0.11 1.19 -3.56 0.00 0.00 178.44 178.09 1ikf n PHE 113 N -3.57 3.49 -0.02 0.49 3.72 -1.26 -3.34 117.46 116.96 1ikf n PHE 113 Ca -0.07 -3.36 -0.15 0.00 -0.05 0.00 0.00 57.45 53.82 1ikf n PHE 113 Cb 0.96 -0.81 -0.11 0.00 -0.94 0.00 0.00 39.48 38.58 1ikf n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ikf h ALA 114 N 3.52 0.04 -3.17 4.37 0.00 -1.62 -3.44 119.26 118.97 1ikf h ALA 114 Ca 0.31 -0.47 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 1ikf h ALA 114 Cb 0.42 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.86 1ikf h ALA 114 CO 0.98 0.10 -0.82 -0.51 0.00 0.00 0.00 179.25 179.00 1ikf s ASP 115 N -6.33 2.55 0.22 0.00 1.01 -1.22 -5.01 116.67 107.89 1ikf s ASP 115 Ca -0.16 -0.45 0.06 0.00 0.71 0.00 0.00 52.55 52.71 1ikf s ASP 115 Cb 0.01 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.86 1ikf s ASP 115 CO 0.75 -0.09 0.20 0.26 0.21 0.00 0.00 175.17 176.49 1ikf s TRP 116 N 1.57 3.17 0.00 4.23 0.52 -1.26 -2.78 118.94 124.40 1ikf s TRP 116 Ca 0.04 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.10 1ikf s TRP 116 Cb -0.13 -1.46 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 1ikf s TRP 116 CO -0.09 0.51 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1ikf n GLY 117 N -0.93 1.18 0.07 0.98 0.00 -0.70 -4.65 105.19 101.14 1ikf n GLY 117 Ca -0.08 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1ikf n GLY 117 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ikf h GLN 118 N 0.00 0.05 0.00 1.61 -0.00 -1.92 -3.47 115.11 111.38 1ikf h GLN 118 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1ikf h GLN 118 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.51 1ikf h GLN 118 CO 0.00 0.98 0.00 0.41 -0.00 0.00 0.00 178.83 180.22 1ikf n GLY 119 N 1.42 2.72 2.79 0.06 0.00 -1.26 -5.00 105.19 105.92 1ikf n GLY 119 Ca -0.04 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 1ikf n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ikf s THR 120 N -2.83 -0.10 0.18 2.61 -1.32 -0.36 -4.77 115.64 109.04 1ikf s THR 120 Ca 0.00 0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 60.46 1ikf s THR 120 Cb 0.00 -0.16 -0.07 0.00 -1.51 0.00 0.00 72.50 70.75 1ikf s THR 120 CO 0.00 0.12 0.98 -0.22 -2.21 0.00 0.00 174.62 173.29 1ikf s LEU 121 N 1.53 4.56 -0.05 9.08 2.96 -1.26 -0.18 118.68 135.31 1ikf s LEU 121 Ca -0.04 1.92 0.04 0.00 -0.22 0.00 0.00 54.13 55.82 1ikf s LEU 121 Cb -0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1ikf s LEU 121 CO -0.04 -0.01 -0.16 0.68 -1.32 0.00 0.00 176.35 175.50 1ikf s VAL 122 N -0.53 1.40 -0.16 1.68 -7.23 -0.68 -2.44 120.40 112.44 1ikf s VAL 122 Ca 0.45 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1ikf s VAL 122 Cb -0.26 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1ikf s VAL 122 CO 0.32 0.41 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.55 1ikf s THR 123 N 0.19 3.40 -0.24 5.32 2.01 -1.14 -2.32 115.64 122.85 1ikf s THR 123 Ca -0.07 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 1ikf s THR 123 Cb -0.13 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1ikf s THR 123 CO 0.03 0.49 0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 1ikf s VAL 124 N 0.66 3.95 -0.09 3.82 1.01 -1.26 -2.07 120.40 126.42 1ikf s VAL 124 Ca -0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1ikf s VAL 124 Cb -0.15 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.52 1ikf s VAL 124 CO 0.02 0.37 0.98 -0.55 0.00 0.00 0.00 175.10 175.93 1ikf s SER 125 N 1.56 -0.32 0.10 3.32 0.15 0.78 -4.64 113.70 114.66 1ikf s SER 125 Ca 0.06 0.11 0.27 0.00 0.70 0.00 0.00 55.95 57.09 1ikf s SER 125 Cb -0.15 0.31 0.92 0.00 -1.71 0.00 0.00 66.02 65.39 1ikf s SER 125 CO 0.01 -0.46 1.77 0.00 1.20 0.00 0.00 173.24 175.75 1ikf n ALA 126 N 0.07 2.46 -1.87 5.45 0.00 -1.26 -3.61 120.51 121.74 1ikf n ALA 126 Ca -0.07 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1ikf n ALA 126 Cb 0.60 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1ikf n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ikf s ALA 127 N -3.06 3.62 0.28 0.00 0.00 -1.26 -4.95 121.76 116.40 1ikf s ALA 127 Ca 0.12 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 1ikf s ALA 127 Cb 0.16 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1ikf s ALA 127 CO 0.59 -0.75 1.04 0.21 0.00 0.00 0.00 175.76 176.85 1ikf s LYS 128 N -0.47 4.65 0.13 0.00 2.36 -1.26 -4.94 119.74 120.21 1ikf s LYS 128 Ca 0.59 1.66 -0.32 0.00 -2.55 0.00 0.00 55.97 55.36 1ikf s LYS 128 Cb -0.42 -3.13 -0.11 0.00 -1.05 0.00 0.00 37.83 33.12 1ikf s LYS 128 CO 0.44 0.27 1.82 -2.37 1.55 0.00 0.00 175.35 177.05 1ikf n THR 129 N 1.12 0.31 -4.00 3.43 5.66 -1.26 -4.82 114.28 114.72 1ikf n THR 129 Ca -0.01 -0.06 -0.35 0.00 -3.05 0.00 0.00 64.05 60.59 1ikf n THR 129 Cb 0.46 -2.07 -0.13 0.00 -1.55 0.00 0.00 70.33 67.04 1ikf n THR 129 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ikf s THR 130 N 2.51 3.71 0.85 1.09 2.01 -0.46 -4.97 115.64 120.39 1ikf s THR 130 Ca 0.81 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 1ikf s THR 130 Cb -0.50 -2.68 0.11 0.00 0.01 0.00 0.00 72.50 69.43 1ikf s THR 130 CO 0.37 0.42 1.12 -2.16 -0.69 0.00 0.00 174.62 173.68 1ikf s PRO 131 N 1.24 1.54 0.25 4.92 0.04 -1.26 -1.36 135.00 140.38 1ikf s PRO 131 Ca 0.03 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1ikf s PRO 131 Cb -0.15 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1ikf s PRO 131 CO 0.00 -2.20 0.61 -1.25 0.04 0.00 0.00 177.00 174.20 1ikf s PRO 132 N -4.77 3.88 -0.16 0.56 0.04 -1.26 -4.26 135.00 129.04 1ikf s PRO 132 Ca 0.64 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 1ikf s PRO 132 Cb -0.20 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 1ikf s PRO 132 CO 0.57 0.28 0.20 -1.12 0.04 0.00 0.00 177.00 176.97 1ikf s SER 133 N -2.28 6.36 -0.14 6.66 0.01 -0.65 -4.88 113.70 118.78 1ikf s SER 133 Ca 0.49 0.42 -0.03 0.00 1.31 0.00 0.00 55.95 58.13 1ikf s SER 133 Cb -0.11 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1ikf s SER 133 CO 0.20 0.22 -0.03 -0.69 0.41 0.00 0.00 173.24 173.35 1ikf s VAL 134 N -0.04 4.02 -0.12 3.43 1.01 -1.26 -1.08 120.40 126.35 1ikf s VAL 134 Ca 0.13 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1ikf s VAL 134 Cb -0.12 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1ikf s VAL 134 CO 0.02 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.12 1ikf s TYR 135 N 0.09 2.44 0.15 5.22 2.02 -0.14 -4.96 117.35 122.17 1ikf s TYR 135 Ca 0.00 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.27 1ikf s TYR 135 Cb -0.13 -1.67 -0.07 0.00 -0.40 0.00 0.00 41.96 39.69 1ikf s TYR 135 CO 0.02 -0.51 1.10 -1.25 -1.57 0.00 0.00 175.55 173.35 1ikf s PRO 136 N 0.68 4.57 -0.21 -1.71 0.04 -1.26 -0.74 135.00 136.37 1ikf s PRO 136 Ca -0.11 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 1ikf s PRO 136 Cb -0.16 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1ikf s PRO 136 CO 0.02 0.03 -0.00 -0.51 0.04 0.00 0.00 177.00 176.58 1ikf s LEU 137 N -0.06 3.17 0.25 -3.56 1.02 -0.07 -4.95 118.68 114.49 1ikf s LEU 137 Ca 0.51 -0.26 0.11 0.00 0.02 0.00 0.00 54.13 54.51 1ikf s LEU 137 Cb -0.29 -1.81 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 1ikf s LEU 137 CO 0.33 0.02 -0.19 0.00 0.02 0.00 0.00 176.35 176.54 1ikf s ALA 138 N 1.25 2.74 0.73 4.21 0.00 -1.26 -1.84 121.76 127.57 1ikf s ALA 138 Ca 0.03 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.07 1ikf s ALA 138 Cb -0.15 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1ikf s ALA 138 CO 0.01 0.33 1.24 -2.30 0.00 0.00 0.00 175.76 175.04 1ikf n PRO 139 N -0.35 0.65 -1.60 0.00 -0.02 -1.26 -4.93 135.00 127.49 1ikf n PRO 139 Ca -0.08 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.35 1ikf n PRO 139 Cb 0.58 -2.48 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1ikf n PRO 139 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ikf s GLY 140 N -1.74 2.42 0.64 -1.23 0.00 -1.26 -4.58 107.32 101.57 1ikf s GLY 140 Ca 0.78 0.88 0.18 0.00 0.00 0.00 0.00 44.72 46.56 1ikf s GLY 140 CO 0.45 1.28 1.54 1.76 0.00 0.00 0.00 173.10 178.13 1ikf h SER 141 N 0.01 0.00 -2.37 1.64 0.02 -1.97 -3.41 113.55 107.49 1ikf h SER 141 Ca -0.48 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.90 1ikf h SER 141 Cb 1.29 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.74 1ikf h SER 141 CO 0.51 0.00 0.96 0.00 -1.14 0.00 0.00 176.83 177.17 1ikf s ALA 142 N -4.00 2.84 0.00 3.77 0.00 -1.26 -4.87 121.76 118.24 1ikf s ALA 142 Ca -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1ikf s ALA 142 Cb 0.05 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1ikf s ALA 142 CO 0.16 -3.19 0.00 0.00 0.00 0.00 0.00 175.76 172.74 1ikf n ALA 143 N 8.94 0.00 -1.91 0.00 0.00 -1.26 -4.70 120.51 121.58 1ikf n ALA 143 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1ikf n ALA 143 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1ikf n ALA 143 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ikf s GLN 144 N 0.00 2.89 -0.61 0.00 -1.52 -1.26 -4.82 119.66 114.34 1ikf s GLN 144 Ca 0.00 1.21 0.05 0.00 -1.95 0.00 0.00 55.36 54.67 1ikf s GLN 144 Cb 0.00 -4.34 0.31 0.00 -0.22 0.00 0.00 33.01 28.76 1ikf s GLN 144 CO 0.00 -2.40 0.89 2.41 -0.25 0.00 0.00 175.29 175.94 1ikf n THR 145 N 7.47 2.88 -4.08 -0.19 -1.04 -1.26 -4.99 114.28 113.06 1ikf n THR 145 Ca 0.25 -5.47 -0.08 0.00 -2.04 0.00 0.00 64.05 56.71 1ikf n THR 145 Cb 0.50 -1.66 -0.10 0.00 -1.82 0.00 0.00 70.33 67.24 1ikf n THR 145 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ikf s ASN 146 N -3.09 0.59 -0.10 8.00 2.20 -1.26 -5.08 114.94 116.20 1ikf s ASN 146 Ca 0.46 -0.88 -0.27 0.00 -0.94 0.00 0.00 52.86 51.22 1ikf s ASN 146 Cb 0.23 0.15 -0.23 0.00 -2.00 0.00 0.00 41.25 39.40 1ikf s ASN 146 CO -0.09 -0.50 0.93 0.77 -2.94 0.00 0.00 177.10 175.28 1ikf h SER 147 N 3.48 -0.01 -2.81 3.54 4.64 -1.98 -3.43 113.55 116.98 1ikf h SER 147 Ca -0.34 -0.80 -0.59 0.00 -0.47 0.00 0.00 61.79 59.60 1ikf h SER 147 Cb 1.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 1ikf h SER 147 CO 0.60 0.80 -0.52 -0.04 -0.87 0.00 0.00 176.83 176.79 1ikf s MET 148 N -2.94 3.22 -0.06 4.77 -1.94 -1.26 -0.76 119.30 120.33 1ikf s MET 148 Ca -0.18 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.22 1ikf s MET 148 Cb -0.01 -2.87 -0.00 0.00 2.01 0.00 0.00 34.83 33.95 1ikf s MET 148 CO 0.67 0.55 -0.19 0.08 -0.01 0.00 0.00 175.02 176.11 1ikf s VAL 149 N -1.61 1.64 -0.20 -6.03 1.01 0.15 -4.70 120.40 110.66 1ikf s VAL 149 Ca 0.33 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1ikf s VAL 149 Cb -0.12 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1ikf s VAL 149 CO 0.26 0.47 0.17 -0.89 0.00 0.00 0.00 175.10 175.11 1ikf s THR 150 N 0.14 5.38 0.32 3.92 2.01 -1.26 -1.00 115.64 125.15 1ikf s THR 150 Ca -0.08 0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.27 1ikf s THR 150 Cb -0.14 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1ikf s THR 150 CO 0.04 0.41 0.01 -0.76 -0.69 0.00 0.00 174.62 173.63 1ikf s LEU 151 N 0.52 3.04 0.24 4.42 2.01 -0.19 -4.58 118.68 124.15 1ikf s LEU 151 Ca 0.10 -0.88 -0.07 0.00 0.01 0.00 0.00 54.13 53.29 1ikf s LEU 151 Cb -0.12 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.59 1ikf s LEU 151 CO 0.00 -0.17 0.34 -0.83 1.01 0.00 0.00 176.35 176.70 1ikf s GLY 152 N -3.71 1.01 -0.11 -3.19 0.00 -0.77 -1.34 107.32 99.21 1ikf s GLY 152 Ca 0.34 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1ikf s GLY 152 CO 0.20 -0.98 0.26 0.00 0.00 0.00 0.00 173.10 172.58 1ikf s LEU 154 N 1.28 3.10 -0.22 0.00 0.20 0.08 -1.96 118.68 121.17 1ikf s LEU 154 Ca -0.09 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.55 1ikf s LEU 154 Cb -0.10 -1.74 0.05 0.00 -0.43 0.00 0.00 46.19 43.96 1ikf s LEU 154 CO -0.09 0.15 -0.12 0.68 -0.29 0.00 0.00 176.35 176.69 1ikf s VAL 155 N 0.46 1.85 -0.09 1.68 -7.23 0.08 -0.96 120.40 116.19 1ikf s VAL 155 Ca -0.05 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1ikf s VAL 155 Cb -0.15 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1ikf s VAL 155 CO 0.03 0.15 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.12 1ikf s LYS 156 N 1.30 3.01 -0.62 4.82 2.20 -0.24 -1.72 119.74 128.50 1ikf s LYS 156 Ca -0.03 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1ikf s LYS 156 Cb -0.17 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 1ikf s LYS 156 CO -0.08 0.46 0.54 0.41 -0.36 0.00 0.00 175.35 176.31 1ikf n GLY 157 N 2.83 -0.25 3.46 5.54 0.00 -0.30 -1.63 105.19 114.84 1ikf n GLY 157 Ca -0.18 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1ikf n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ikf s TYR 158 N -3.22 2.04 -0.23 1.61 -0.85 -0.94 -4.43 117.35 111.32 1ikf s TYR 158 Ca 0.23 -0.77 -0.27 0.00 -0.52 0.00 0.00 57.07 55.75 1ikf s TYR 158 Cb -0.03 -1.26 0.11 0.00 0.38 0.00 0.00 41.96 41.16 1ikf s TYR 158 CO 0.43 0.23 0.92 0.12 -1.52 0.00 0.00 175.55 175.72 1ikf s PHE 159 N -3.05 -0.54 0.00 -3.49 5.36 -0.46 -0.38 117.98 115.42 1ikf s PHE 159 Ca 0.32 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 1ikf s PHE 159 Cb 0.06 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1ikf s PHE 159 CO 0.14 -0.32 0.00 -0.35 -1.46 0.00 0.00 175.22 173.23 1ikf n PRO 160 N 1.89 0.78 -3.42 10.12 -0.04 -1.26 -1.35 135.00 141.71 1ikf n PRO 160 Ca -0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1ikf n PRO 160 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 1ikf n PRO 160 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ikf s GLU 161 N -0.61 3.67 0.39 0.54 0.41 -1.26 -4.81 118.70 117.02 1ikf s GLU 161 Ca 0.00 0.05 0.06 0.00 -0.41 0.00 0.00 54.97 54.66 1ikf s GLU 161 Cb 0.00 -2.68 0.06 0.00 -1.78 0.00 0.00 34.13 29.73 1ikf s GLU 161 CO 0.00 0.28 0.49 -0.35 -0.49 0.00 0.00 175.26 175.19 1ikf n PRO 162 N -0.58 0.78 -3.90 0.39 -0.04 -1.26 -4.89 135.00 125.49 1ikf n PRO 162 Ca -0.01 -2.14 -0.11 0.00 -0.04 0.00 0.00 63.50 61.19 1ikf n PRO 162 Cb 0.53 -0.08 -0.12 0.00 -0.04 0.00 0.00 33.50 33.79 1ikf n PRO 162 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ikf s VAL 163 N -1.51 0.04 -0.21 0.52 0.11 -1.26 -4.51 120.40 113.59 1ikf s VAL 163 Ca 0.37 -0.36 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1ikf s VAL 163 Cb -0.03 -0.15 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1ikf s VAL 163 CO 0.23 -0.20 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.83 1ikf s THR 164 N -0.59 3.08 -0.35 5.04 2.01 0.58 -4.94 115.64 120.46 1ikf s THR 164 Ca -0.07 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1ikf s THR 164 Cb -0.04 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1ikf s THR 164 CO -0.00 0.45 0.15 -0.69 -0.69 0.00 0.00 174.62 173.84 1ikf s VAL 165 N 1.36 4.11 0.30 3.82 1.01 -1.26 -1.69 120.40 128.04 1ikf s VAL 165 Ca 0.04 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.09 1ikf s VAL 165 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1ikf s VAL 165 CO -0.05 -0.21 0.06 0.42 0.00 0.00 0.00 175.10 175.33 1ikf s THR 166 N 1.46 3.24 -0.22 3.92 -4.23 0.10 -4.95 115.64 114.97 1ikf s THR 166 Ca -0.00 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1ikf s THR 166 Cb -0.19 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1ikf s THR 166 CO 0.04 -0.28 -0.05 0.26 -0.54 0.00 0.00 174.62 174.05 1ikf s TRP 167 N -2.38 2.95 -1.51 3.99 0.52 -1.26 -0.69 118.94 120.56 1ikf s TRP 167 Ca 0.34 -1.00 -0.10 0.00 0.02 0.00 0.00 56.10 55.36 1ikf s TRP 167 Cb -0.04 -2.09 0.07 0.00 -1.15 0.00 0.00 33.47 30.26 1ikf s TRP 167 CO 0.21 -0.57 0.80 0.09 0.02 0.00 0.00 176.95 177.50 1ikf n ASN 168 N 4.78 -3.13 -0.30 2.95 5.03 0.19 -2.02 115.26 122.76 1ikf n ASN 168 Ca -0.18 -0.87 -0.04 0.00 0.87 0.00 0.00 54.58 54.36 1ikf n ASN 168 Cb 0.51 -3.56 -0.02 0.00 -1.02 0.00 0.00 39.78 35.69 1ikf n ASN 168 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ikf n SER 169 N -2.86 -5.21 0.00 6.41 7.64 -1.26 -1.26 113.62 117.07 1ikf n SER 169 Ca -0.07 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ikf n SER 169 Cb 0.57 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 1ikf n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ikf n GLY 170 N 0.64 3.18 0.44 0.23 0.00 -0.86 -5.01 105.19 103.82 1ikf n GLY 170 Ca -0.04 -0.49 0.25 0.00 0.00 0.00 0.00 46.02 45.75 1ikf n GLY 170 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ikf h SER 171 N 2.00 0.00 -3.63 1.61 0.02 -1.21 -3.24 113.55 109.11 1ikf h SER 171 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1ikf h SER 171 Cb 0.00 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.23 1ikf h SER 171 CO 0.00 0.00 -0.60 -0.76 -1.14 0.00 0.00 176.83 174.33 1ikf s LEU 172 N -7.85 4.54 0.00 5.07 1.43 -1.04 -4.88 118.68 115.95 1ikf s LEU 172 Ca -0.04 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1ikf s LEU 172 Cb 0.18 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1ikf s LEU 172 CO 0.65 -0.39 0.00 -1.20 0.23 0.00 0.00 176.35 175.64 1ikf n SER 173 N 4.72 0.76 -4.70 2.29 7.64 -1.23 -4.36 113.62 118.75 1ikf n SER 173 Ca -0.10 -0.41 -0.39 0.00 1.01 0.00 0.00 58.87 58.97 1ikf n SER 173 Cb 0.43 0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 64.56 1ikf n SER 173 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ikf s SER 174 N -1.13 6.85 0.00 6.43 0.01 -1.26 -3.48 113.70 121.12 1ikf s SER 174 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1ikf s SER 174 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1ikf s SER 174 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1ikf n GLY 175 N 3.31 0.49 3.75 3.44 0.00 -1.26 -4.62 105.19 110.30 1ikf n GLY 175 Ca -0.02 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1ikf n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ikf s VAL 176 N -2.00 4.91 -0.09 1.61 1.01 -1.23 -3.31 120.40 121.30 1ikf s VAL 176 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 1ikf s VAL 176 Cb 0.00 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1ikf s VAL 176 CO 0.00 0.38 -0.03 -1.00 0.00 0.00 0.00 175.10 174.45 1ikf s HIS 177 N -0.01 1.03 -0.17 5.22 3.76 -0.08 -4.96 115.29 120.07 1ikf s HIS 177 Ca 0.33 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1ikf s HIS 177 Cb -0.18 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.51 1ikf s HIS 177 CO 0.18 -0.41 -0.09 0.99 -0.85 0.00 0.00 174.74 174.56 1ikf s THR 178 N 1.85 3.22 0.23 1.30 2.01 -1.26 -0.80 115.64 122.18 1ikf s THR 178 Ca 0.05 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1ikf s THR 178 Cb -0.12 -2.41 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 1ikf s THR 178 CO -0.06 0.48 0.66 -0.36 -0.69 0.00 0.00 174.62 174.64 1ikf s PHE 179 N 0.90 3.53 0.52 4.92 0.08 -0.10 -4.99 117.98 122.84 1ikf s PHE 179 Ca -0.02 1.19 -0.21 0.00 0.12 0.00 0.00 56.93 58.01 1ikf s PHE 179 Cb -0.15 -2.48 -0.08 0.00 -0.57 0.00 0.00 43.02 39.74 1ikf s PHE 179 CO 0.00 0.29 0.85 -2.30 -0.10 0.00 0.00 175.22 173.96 1ikf n PRO 180 N 0.34 0.94 -2.60 0.24 -0.02 -1.26 -4.34 135.00 128.29 1ikf n PRO 180 Ca -0.01 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1ikf n PRO 180 Cb 0.52 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1ikf n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ikf s ALA 181 N -1.48 3.29 -0.07 3.55 0.00 -1.26 -4.73 121.76 121.06 1ikf s ALA 181 Ca 0.69 0.61 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1ikf s ALA 181 Cb -0.48 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 1ikf s ALA 181 CO 0.53 -0.38 -0.11 0.08 0.00 0.00 0.00 175.76 175.87 1ikf s VAL 182 N 1.26 3.28 -0.34 0.00 1.01 -1.00 -4.94 120.40 119.68 1ikf s VAL 182 Ca 0.54 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1ikf s VAL 182 Cb -0.23 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1ikf s VAL 182 CO 0.26 0.58 1.17 -0.22 0.00 0.00 0.00 175.10 176.89 1ikf s LEU 183 N -0.50 3.85 -0.12 3.92 2.96 -1.26 -2.20 118.68 125.33 1ikf s LEU 183 Ca 0.07 0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 54.88 1ikf s LEU 183 Cb -0.12 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1ikf s LEU 183 CO 0.02 -1.03 0.14 -0.61 -1.32 0.00 0.00 176.35 173.55 1ikf h GLN 184 N 8.77 0.00 0.00 1.98 4.15 -1.66 -3.48 115.11 124.87 1ikf h GLN 184 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1ikf h GLN 184 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1ikf h GLN 184 CO 1.05 0.28 0.00 -1.13 -1.93 0.00 0.00 178.83 177.11 1ikf n SER 185 N -4.69 0.00 0.00 -0.69 3.41 -1.26 -4.94 113.62 105.45 1ikf n SER 185 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1ikf n SER 185 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1ikf n SER 185 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ikf n ASP 186 N -1.78 0.74 -4.02 4.04 8.00 -1.26 -5.06 116.55 117.22 1ikf n ASP 186 Ca 0.00 -1.26 -0.11 0.00 0.71 0.00 0.00 54.79 54.13 1ikf n ASP 186 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1ikf n ASP 186 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ikf s LEU 187 N -0.26 2.23 0.33 0.64 1.43 -1.26 -4.92 118.68 116.87 1ikf s LEU 187 Ca 0.00 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1ikf s LEU 187 Cb 0.00 -0.04 -0.06 0.00 0.03 0.00 0.00 46.19 46.12 1ikf s LEU 187 CO 0.00 -0.23 0.63 -0.31 0.23 0.00 0.00 176.35 176.67 1ikf s TYR 188 N -1.33 3.48 -0.03 0.29 1.51 0.49 -1.67 117.35 120.09 1ikf s TYR 188 Ca -0.12 0.78 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 1ikf s TYR 188 Cb -0.09 -2.22 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1ikf s TYR 188 CO -0.00 0.07 -0.10 0.99 -1.11 0.00 0.00 175.55 175.39 1ikf s THR 189 N -2.20 0.89 0.29 -0.71 2.01 -0.93 -1.15 115.64 113.84 1ikf s THR 189 Ca 0.46 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1ikf s THR 189 Cb -0.11 -0.80 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 1ikf s THR 189 CO 0.31 0.28 0.05 -1.48 -0.69 0.00 0.00 174.62 173.08 1ikf s LEU 190 N 0.24 2.07 0.18 4.42 0.05 -0.70 -2.38 118.68 122.56 1ikf s LEU 190 Ca -0.04 -1.34 -0.01 0.00 0.05 0.00 0.00 54.13 52.79 1ikf s LEU 190 Cb -0.10 -0.27 -0.04 0.00 -2.05 0.00 0.00 46.19 43.73 1ikf s LEU 190 CO 0.01 -0.61 0.11 -0.94 -0.55 0.00 0.00 176.35 174.37 1ikf s SER 191 N -3.41 0.19 -0.11 1.48 1.04 -1.26 -0.74 113.70 110.90 1ikf s SER 191 Ca 0.35 -1.34 -0.20 0.00 0.48 0.00 0.00 55.95 55.24 1ikf s SER 191 Cb 0.08 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1ikf s SER 191 CO 0.14 -0.81 0.49 -0.55 0.98 0.00 0.00 173.24 173.48 1ikf s SER 192 N -3.13 -0.46 0.13 7.02 0.15 -0.83 -0.93 113.70 115.66 1ikf s SER 192 Ca 0.35 0.67 0.05 0.00 0.70 0.00 0.00 55.95 57.72 1ikf s SER 192 Cb 0.07 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1ikf s SER 192 CO 0.09 -0.35 -0.12 -0.94 1.20 0.00 0.00 173.24 173.11 1ikf s SER 193 N -0.54 1.89 0.04 5.45 1.04 0.02 -1.31 113.70 120.30 1ikf s SER 193 Ca -0.07 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.53 1ikf s SER 193 Cb -0.03 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1ikf s SER 193 CO 0.04 -0.21 -0.10 0.54 0.98 0.00 0.00 173.24 174.49 1ikf s VAL 194 N -2.50 0.71 -0.20 5.02 0.11 -0.45 -0.90 120.40 122.19 1ikf s VAL 194 Ca 0.11 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1ikf s VAL 194 Cb -0.03 -0.73 0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1ikf s VAL 194 CO 0.02 -0.26 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.53 1ikf s THR 195 N -1.18 1.75 0.37 5.04 2.01 -1.21 -1.02 115.64 121.41 1ikf s THR 195 Ca -0.06 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 60.97 1ikf s THR 195 Cb -0.09 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1ikf s THR 195 CO 0.01 0.21 0.14 0.54 -0.69 0.00 0.00 174.62 174.83 1ikf s VAL 196 N 1.35 2.64 0.33 3.82 0.11 -0.17 -4.76 120.40 123.72 1ikf s VAL 196 Ca -0.01 -1.74 -0.06 0.00 -2.93 0.00 0.00 61.98 57.24 1ikf s VAL 196 Cb -0.16 -2.95 -0.05 0.00 -1.53 0.00 0.00 36.38 31.69 1ikf s VAL 196 CO -0.09 -0.11 0.62 -2.84 -3.33 0.00 0.00 175.10 169.35 1ikf s PRO 197 N -3.85 3.65 0.59 1.54 0.02 -1.26 -0.68 135.00 135.01 1ikf s PRO 197 Ca 0.39 0.10 0.29 0.00 0.02 0.00 0.00 61.00 61.80 1ikf s PRO 197 Cb 0.01 -2.57 1.44 0.00 0.02 0.00 0.00 34.50 33.40 1ikf s PRO 197 CO 0.22 0.13 1.85 0.77 -0.33 0.00 0.00 177.00 179.64 1ikf h SER 198 N 1.43 0.00 0.26 2.53 0.02 -1.22 0.44 113.55 117.02 1ikf h SER 198 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ikf h SER 198 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ikf h SER 198 CO 0.65 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.80 1ikf n SER 199 N -3.73 0.00 -0.10 3.07 3.41 -1.26 -4.12 113.62 110.88 1ikf n SER 199 Ca 0.11 -0.40 -0.21 0.00 -0.26 0.00 0.00 58.87 58.11 1ikf n SER 199 Cb 0.76 -0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1ikf n SER 199 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ikf n SER 200 N -1.16 1.49 -4.42 4.04 2.88 0.16 -4.73 113.62 111.87 1ikf n SER 200 Ca 0.15 0.22 -0.33 0.00 -1.33 0.00 0.00 58.87 57.58 1ikf n SER 200 Cb 0.15 -0.56 -0.13 0.00 -0.75 0.00 0.00 64.21 62.91 1ikf n SER 200 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ikf s ARG 201 N -2.37 3.51 0.00 -1.46 3.52 -1.22 -0.12 118.95 120.81 1ikf s ARG 201 Ca -0.28 -0.61 0.25 0.00 -0.13 0.00 0.00 55.73 54.97 1ikf s ARG 201 Cb 0.10 -2.78 0.52 0.00 -1.56 0.00 0.00 34.95 31.23 1ikf s ARG 201 CO 0.36 0.20 1.42 -2.30 -0.81 0.00 0.00 175.30 174.16 1ikf n PRO 202 N 3.62 0.92 0.42 5.12 -0.02 -1.26 -4.71 135.00 139.09 1ikf n PRO 202 Ca -0.18 -0.63 -0.17 0.00 -2.02 0.00 0.00 63.50 60.50 1ikf n PRO 202 Cb 0.52 -1.49 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 1ikf n PRO 202 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ikf h SER 203 N 1.53 -1.03 -3.19 2.55 0.02 -1.77 -3.41 113.55 108.25 1ikf h SER 203 Ca 0.00 0.05 -0.49 0.00 -0.84 0.00 0.00 61.79 60.51 1ikf h SER 203 Cb 0.58 0.28 0.02 0.00 0.14 0.00 0.00 62.40 63.42 1ikf h SER 203 CO 0.00 -0.68 -0.05 -0.70 -1.14 0.00 0.00 176.83 174.26 1ikf s GLU 204 N -5.52 3.53 -0.05 3.45 -6.30 0.83 -5.09 118.70 109.55 1ikf s GLU 204 Ca -0.17 -0.05 -0.04 0.00 -2.50 0.00 0.00 54.97 52.21 1ikf s GLU 204 Cb 0.02 -2.54 -0.04 0.00 0.00 0.00 0.00 34.13 31.58 1ikf s GLU 204 CO 0.51 0.01 0.15 0.95 0.02 0.00 0.00 175.26 176.90 1ikf s THR 205 N -2.46 5.33 0.01 -1.70 -4.23 -1.26 -4.28 115.64 107.04 1ikf s THR 205 Ca 0.44 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.91 1ikf s THR 205 Cb -0.10 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1ikf s THR 205 CO 0.39 0.45 -0.00 -0.69 -0.54 0.00 0.00 174.62 174.22 1ikf s VAL 206 N -1.18 4.10 -0.02 2.29 1.01 -1.26 -5.04 120.40 120.29 1ikf s VAL 206 Ca 0.22 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1ikf s VAL 206 Cb -0.12 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1ikf s VAL 206 CO 0.12 0.34 -0.01 -0.89 0.00 0.00 0.00 175.10 174.66 1ikf s THR 207 N -1.11 0.21 -0.17 3.92 2.01 -1.26 -2.46 115.64 116.79 1ikf s THR 207 Ca 0.20 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1ikf s THR 207 Cb -0.11 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1ikf s THR 207 CO 0.11 0.13 0.10 0.00 -0.69 0.00 0.00 174.62 174.27 1ikf s ASN 209 N -0.07 5.00 -0.01 0.00 -0.87 0.13 -0.62 114.94 118.49 1ikf s ASN 209 Ca 0.09 -0.21 0.02 0.00 -1.57 0.00 0.00 52.86 51.19 1ikf s ASN 209 Cb -0.12 -1.88 -0.00 0.00 -0.02 0.00 0.00 41.25 39.23 1ikf s ASN 209 CO 0.00 0.00 -0.06 0.54 -2.57 0.00 0.00 177.10 175.02 1ikf s VAL 210 N 1.37 0.47 -0.07 1.60 0.11 -0.26 0.01 120.40 123.64 1ikf s VAL 210 Ca 0.05 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1ikf s VAL 210 Cb -0.15 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1ikf s VAL 210 CO 0.02 0.14 -0.17 0.00 -3.33 0.00 0.00 175.10 171.76 1ikf s ALA 211 N 0.01 1.63 -0.45 1.54 0.00 -0.68 0.10 121.76 123.90 1ikf s ALA 211 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1ikf s ALA 211 Cb -0.04 -0.62 0.12 0.00 0.00 0.00 0.00 23.12 22.58 1ikf s ALA 211 CO -0.00 0.22 0.19 -1.58 0.00 0.00 0.00 175.76 174.59 1ikf s HIS 212 N 0.35 3.27 0.26 0.00 2.46 0.12 -0.31 115.29 121.46 1ikf s HIS 212 Ca -0.12 -3.05 -0.01 0.00 0.47 0.00 0.00 55.06 52.35 1ikf s HIS 212 Cb -0.15 -2.78 0.56 0.00 -0.13 0.00 0.00 32.58 30.08 1ikf s HIS 212 CO 0.05 -0.82 1.72 -1.35 -2.47 0.00 0.00 174.74 171.87 1ikf h PRO 213 N 6.92 0.43 0.00 2.88 0.11 -1.79 -1.17 132.00 139.38 1ikf h PRO 213 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1ikf h PRO 213 Cb 0.94 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ikf h PRO 213 CO 0.62 0.29 0.10 0.00 -0.21 0.00 0.00 178.00 178.79 1ikf h ALA 214 N 1.61 1.09 -0.10 -0.75 0.00 -1.94 0.35 119.26 119.53 1ikf h ALA 214 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ikf h ALA 214 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ikf h ALA 214 CO -0.45 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.58 1ikf n SER 215 N -2.89 2.40 -4.06 0.00 3.41 -1.19 -4.99 113.62 106.30 1ikf n SER 215 Ca -0.02 -2.21 -0.38 0.00 -0.26 0.00 0.00 58.87 55.99 1ikf n SER 215 Cb 0.15 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1ikf n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ikf n SER 216 N -0.38 -2.66 -4.44 4.04 7.64 0.12 -4.98 113.62 112.97 1ikf n SER 216 Ca 0.06 -1.22 -0.33 0.00 1.01 0.00 0.00 58.87 58.40 1ikf n SER 216 Cb 0.39 -2.10 -0.14 0.00 -1.01 0.00 0.00 64.21 61.35 1ikf n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ikf s THR 217 N -3.77 2.97 -0.15 0.44 2.01 -0.45 -5.00 115.64 111.69 1ikf s THR 217 Ca 0.32 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 1ikf s THR 217 Cb -0.16 -2.17 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1ikf s THR 217 CO 0.95 0.58 0.05 -0.54 -0.69 0.00 0.00 174.62 174.97 1ikf s LYS 218 N -0.50 0.36 0.07 4.92 1.02 -1.26 -0.70 119.74 123.65 1ikf s LYS 218 Ca 0.07 -0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.01 1ikf s LYS 218 Cb -0.12 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 1ikf s LYS 218 CO 0.02 -0.56 -0.17 0.14 -0.92 0.00 0.00 175.35 173.86 1ikf s VAL 219 N 2.01 2.89 -0.17 3.17 -7.23 0.12 -4.94 120.40 116.24 1ikf s VAL 219 Ca 0.02 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1ikf s VAL 219 Cb -0.15 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.53 1ikf s VAL 219 CO -0.07 0.24 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.97 1ikf s ASP 220 N -1.74 3.35 -0.34 4.85 1.01 -1.26 -1.10 116.67 121.44 1ikf s ASP 220 Ca 0.16 -0.57 -0.03 0.00 0.71 0.00 0.00 52.55 52.82 1ikf s ASP 220 Cb -0.11 -1.51 0.06 0.00 1.01 0.00 0.00 42.92 42.38 1ikf s ASP 220 CO 0.08 0.04 0.08 -0.54 0.21 0.00 0.00 175.17 175.04 1ikf s LYS 221 N 1.06 2.37 -0.07 8.23 -0.14 0.20 -4.98 119.74 126.41 1ikf s LYS 221 Ca -0.01 -1.39 -0.30 0.00 -1.36 0.00 0.00 55.97 52.92 1ikf s LYS 221 Cb -0.14 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.59 1ikf s LYS 221 CO -0.06 -0.75 1.64 0.21 -0.76 0.00 0.00 175.35 175.63 1ikf s LYS 222 N 1.26 4.14 -0.28 1.68 2.20 -1.26 -2.39 119.74 125.09 1ikf s LYS 222 Ca -0.01 2.12 -0.22 0.00 -0.36 0.00 0.00 55.97 57.50 1ikf s LYS 222 Cb -0.21 -3.99 -0.01 0.00 -1.51 0.00 0.00 37.83 32.12 1ikf s LYS 222 CO -0.01 -0.89 0.72 0.96 -0.36 0.00 0.00 175.35 175.76 1ikf s ILE 223 N 4.17 4.89 0.09 5.43 -5.25 -1.03 -4.94 121.20 124.56 1ikf s ILE 223 Ca 0.73 1.19 0.02 0.00 -0.99 0.00 0.00 60.65 61.59 1ikf s ILE 223 Cb -0.32 -4.04 -0.04 0.00 2.95 0.00 0.00 42.46 41.01 1ikf s ILE 223 CO 0.29 -0.10 0.19 0.68 -1.79 0.00 0.00 174.94 174.20 1ikf s VAL 224 N 2.72 5.10 0.56 8.37 -7.23 -1.26 -4.59 120.40 124.07 1ikf s VAL 224 Ca 0.30 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.67 1ikf s VAL 224 Cb -0.15 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1ikf s VAL 224 CO 0.10 0.07 1.31 -2.84 -0.31 0.00 0.00 175.10 173.44 1ikf s PRO 225 N -2.66 3.11 0.30 4.82 0.02 -1.26 -4.76 135.00 134.56 1ikf s PRO 225 Ca 0.33 2.12 -0.29 0.00 0.02 0.00 0.00 61.00 63.18 1ikf s PRO 225 Cb -0.12 -2.18 -0.13 0.00 0.02 0.00 0.00 34.50 32.08 1ikf s PRO 225 CO 0.26 -1.18 1.23 2.89 -0.33 0.00 0.00 177.00 179.88 1ikf n ARG 226 N -1.15 1.85 -4.21 5.54 0.00 -1.26 -5.02 116.66 112.40 1ikf n ARG 226 Ca 0.11 0.65 -0.27 0.00 -0.00 0.00 0.00 57.85 58.35 1ikf n ARG 226 Cb 0.46 -2.19 -0.08 0.00 -0.00 0.00 0.00 32.46 30.66 1ikf n ARG 226 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ikf s ASP 227 N -0.23 4.72 0.00 2.89 -1.08 -1.26 -5.06 116.67 116.65 1ikf s ASP 227 Ca 0.60 -0.42 0.02 0.00 -0.52 0.00 0.00 52.55 52.23 1ikf s ASP 227 Cb -0.64 -0.98 0.01 0.00 -1.46 0.00 0.00 42.92 39.85 1ikf s ASP 227 CO 0.58 0.09 0.55 0.00 0.52 0.00 0.00 175.17 176.92