#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikk s ALA 2 N 0.00 4.56 0.00 -5.12 0.00 -1.26 -5.00 121.76 114.94 3ikk s ALA 2 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 3ikk s ALA 2 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3ikk s ALA 2 CO 0.00 -0.71 0.00 1.17 0.00 0.00 0.00 175.76 176.22 3ikk n LYS 3 N -2.16 0.00 -4.37 0.00 4.81 -1.26 -5.01 118.16 110.17 3ikk n LYS 3 Ca 0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.30 3ikk n LYS 3 Cb 0.61 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.53 3ikk n LYS 3 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3ikk s VAL 4 N -0.85 2.11 0.40 3.15 1.01 -1.26 -5.14 120.40 119.82 3ikk s VAL 4 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 3ikk s VAL 4 Cb 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 3ikk s VAL 4 CO 0.00 -0.02 0.76 -1.83 0.00 0.00 0.00 175.10 174.01 3ikk s GLU 5 N -2.22 3.78 0.01 2.72 -1.05 -1.26 -4.96 118.70 115.73 3ikk s GLU 5 Ca 0.14 0.47 -0.39 0.00 -0.15 0.00 0.00 54.97 55.04 3ikk s GLU 5 Cb -0.09 -2.40 -0.18 0.00 -0.44 0.00 0.00 34.13 31.02 3ikk s GLU 5 CO 0.06 -0.02 1.27 0.94 0.95 0.00 0.00 175.26 178.46 3ikk n GLN 6 N -1.25 0.66 0.03 -4.83 -0.06 -1.26 -4.89 117.38 105.79 3ikk n GLN 6 Ca 0.02 0.24 -0.12 0.00 -2.00 0.00 0.00 57.00 55.14 3ikk n GLN 6 Cb 0.54 -1.83 -0.09 0.00 -4.06 0.00 0.00 30.24 24.81 3ikk n GLN 6 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3ikk h VAL 7 N 3.37 1.07 -2.30 1.69 2.07 -1.96 -3.47 116.25 116.73 3ikk h VAL 7 Ca -0.49 -1.18 -0.39 0.00 0.82 0.00 0.00 66.70 65.46 3ikk h VAL 7 Cb 1.37 1.76 0.21 0.00 -1.52 0.00 0.00 31.29 33.11 3ikk h VAL 7 CO 0.75 0.26 -0.76 0.18 0.02 0.00 0.00 177.57 178.02 3ikk n LEU 8 N -4.90 -1.92 -4.16 2.57 4.77 -1.26 -4.74 117.00 107.37 3ikk n LEU 8 Ca -0.08 -0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.34 3ikk n LEU 8 Cb 0.28 -0.92 -0.17 0.00 -2.33 0.00 0.00 43.42 40.28 3ikk n LEU 8 CO 0.29 -3.26 -0.53 -0.94 -1.33 0.00 0.00 177.39 171.62 3ikk s SER 9 N -2.00 2.57 0.03 -1.43 1.04 -0.98 -4.90 113.70 108.03 3ikk s SER 9 Ca 0.53 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.54 3ikk s SER 9 Cb -0.11 -1.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 3ikk s SER 9 CO 0.57 0.14 -0.01 -0.76 0.98 0.00 0.00 173.24 174.17 3ikk s LEU 10 N 0.26 3.46 -0.30 2.42 1.02 -1.26 0.26 118.68 124.55 3ikk s LEU 10 Ca -0.12 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 53.98 3ikk s LEU 10 Cb -0.15 -2.07 0.18 0.00 0.02 0.00 0.00 46.19 44.16 3ikk s LEU 10 CO 0.05 0.24 0.49 -0.70 0.02 0.00 0.00 176.35 176.46 3ikk s GLU 11 N -1.84 0.50 0.68 1.70 2.56 -0.79 -3.31 118.70 118.21 3ikk s GLU 11 Ca 0.22 0.25 -0.14 0.00 0.00 0.00 0.00 54.97 55.30 3ikk s GLU 11 Cb -0.12 -0.07 0.01 0.00 2.00 0.00 0.00 34.13 35.95 3ikk s GLU 11 CO 0.13 -1.05 1.11 -2.14 -0.56 0.00 0.00 175.26 172.75 3ikk s PRO 12 N 2.59 2.69 0.05 4.30 0.02 -1.26 -1.55 135.00 141.83 3ikk s PRO 12 Ca 0.10 1.37 -0.05 0.00 0.02 0.00 0.00 61.00 62.45 3ikk s PRO 12 Cb -0.11 -1.94 -0.29 0.00 0.02 0.00 0.00 34.50 32.19 3ikk s PRO 12 CO -0.27 -1.34 1.03 1.96 -0.33 0.00 0.00 177.00 178.06 3ikk h GLN 13 N -0.17 0.28 0.00 5.54 4.20 -1.97 -3.43 115.11 119.57 3ikk h GLN 13 Ca -0.46 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 57.73 3ikk h GLN 13 Cb 1.25 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.20 3ikk h GLN 13 CO 0.53 1.20 -1.11 0.72 -0.67 0.00 0.00 178.83 179.51 3ikk n HIS 14 N -3.52 0.00 -3.69 2.96 8.25 -1.26 -4.89 115.22 113.07 3ikk n HIS 14 Ca -0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.15 3ikk n HIS 14 Cb 1.04 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.90 3ikk n HIS 14 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3ikk s GLU 15 N -2.04 -0.06 -0.07 -0.41 2.12 -1.26 -0.38 118.70 116.59 3ikk s GLU 15 Ca -0.03 0.35 -0.25 0.00 0.36 0.00 0.00 54.97 55.41 3ikk s GLU 15 Cb 0.01 -0.44 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 3ikk s GLU 15 CO 0.04 -0.29 0.77 -0.51 -0.54 0.00 0.00 175.26 174.72 3ikk s LEU 16 N 1.95 4.30 -0.02 2.70 1.43 0.08 -4.83 118.68 124.29 3ikk s LEU 16 Ca 0.02 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3ikk s LEU 16 Cb -0.12 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 3ikk s LEU 16 CO -0.03 -0.19 0.06 -0.54 0.23 0.00 0.00 176.35 175.88 3ikk s LYS 17 N 1.08 3.03 -0.08 1.70 1.02 -1.26 -0.23 119.74 125.00 3ikk s LYS 17 Ca 0.40 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.93 3ikk s LYS 17 Cb -0.18 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3ikk s LYS 17 CO 0.19 0.66 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.11 3ikk s PHE 18 N -1.12 1.44 -0.17 3.18 0.08 0.49 -4.63 117.98 117.25 3ikk s PHE 18 Ca 0.20 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 3ikk s PHE 18 Cb -0.12 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.22 3ikk s PHE 18 CO 0.11 -0.33 -0.05 0.50 -0.10 0.00 0.00 175.22 175.35 3ikk s ARG 19 N 0.92 3.53 1.10 0.44 3.52 -1.26 0.20 118.95 127.41 3ikk s ARG 19 Ca -0.10 -0.58 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 3ikk s ARG 19 Cb -0.15 -2.91 0.27 0.00 -1.56 0.00 0.00 34.95 30.60 3ikk s ARG 19 CO 0.01 0.08 1.07 0.41 -0.81 0.00 0.00 175.30 176.06 3ikk n GLY 20 N 3.98 -2.50 3.77 8.12 0.00 -0.69 -4.81 105.19 113.06 3ikk n GLY 20 Ca -0.18 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 3ikk n GLY 20 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ikk s PRO 21 N -5.40 2.99 -0.17 1.61 0.02 -1.26 -4.91 135.00 127.87 3ikk s PRO 21 Ca 0.67 1.51 0.12 0.00 0.02 0.00 0.00 61.00 63.32 3ikk s PRO 21 Cb -0.06 -1.97 0.65 0.00 0.02 0.00 0.00 34.50 33.15 3ikk s PRO 21 CO 0.51 -1.12 1.51 1.19 -0.33 0.00 0.00 177.00 178.75 3ikk n PHE 22 N -1.97 1.60 0.28 6.54 3.72 -1.26 -4.10 117.46 122.27 3ikk n PHE 22 Ca 0.11 -0.57 0.18 0.00 -0.05 0.00 0.00 57.45 57.13 3ikk n PHE 22 Cb 0.51 -0.39 0.94 0.00 -0.94 0.00 0.00 39.48 39.61 3ikk n PHE 22 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3ikk h THR 23 N 3.27 0.22 -4.32 4.37 1.35 -1.96 0.12 112.91 115.96 3ikk h THR 23 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.68 3ikk h THR 23 Cb 1.61 0.84 -0.14 0.00 -1.73 0.00 0.00 68.15 68.73 3ikk h THR 23 CO 0.36 0.00 -0.52 -0.62 -0.25 0.00 0.00 175.52 174.49 3ikk s ASP 24 N -5.26 0.14 0.32 5.36 -1.08 -1.26 -4.69 116.67 110.21 3ikk s ASP 24 Ca -0.04 -1.21 -0.28 0.00 -0.52 0.00 0.00 52.55 50.50 3ikk s ASP 24 Cb 0.13 0.39 -0.13 0.00 -1.46 0.00 0.00 42.92 41.85 3ikk s ASP 24 CO 0.44 -0.86 1.20 0.52 0.52 0.00 0.00 175.17 176.99 3ikk n VAL 25 N -0.23 1.95 -4.72 1.11 0.31 -1.26 -4.34 118.33 111.15 3ikk n VAL 25 Ca -0.02 -0.49 -0.30 0.00 -0.01 0.00 0.00 64.34 63.52 3ikk n VAL 25 Cb 0.64 -1.38 -0.17 0.00 -0.91 0.00 0.00 33.84 32.03 3ikk n VAL 25 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ikk s VAL 26 N -1.03 1.79 -0.10 2.52 1.01 0.58 -4.93 120.40 120.25 3ikk s VAL 26 Ca 0.57 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3ikk s VAL 26 Cb -0.62 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3ikk s VAL 26 CO 0.61 0.50 -0.05 -0.89 0.00 0.00 0.00 175.10 175.27 3ikk s THR 27 N 0.75 3.87 -0.04 3.92 2.01 -1.26 0.13 115.64 125.02 3ikk s THR 27 Ca -0.10 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.53 3ikk s THR 27 Cb -0.16 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.72 3ikk s THR 27 CO 0.01 0.57 -0.13 0.28 -0.69 0.00 0.00 174.62 174.65 3ikk s THR 28 N -0.43 1.14 0.34 -0.82 -1.32 -0.21 -4.89 115.64 109.45 3ikk s THR 28 Ca 0.07 -0.55 -0.26 0.00 -1.21 0.00 0.00 61.69 59.73 3ikk s THR 28 Cb -0.12 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.78 3ikk s THR 28 CO 0.02 0.34 1.03 0.20 -2.21 0.00 0.00 174.62 174.00 3ikk s ASN 29 N 0.15 7.09 -0.13 8.08 0.01 -1.26 -1.35 114.94 127.52 3ikk s ASN 29 Ca -0.04 2.03 -0.01 0.00 -0.71 0.00 0.00 52.86 54.13 3ikk s ASN 29 Cb -0.11 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 3ikk s ASN 29 CO 0.02 -0.26 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.04 3ikk s LEU 30 N -2.11 2.94 -0.27 0.60 2.96 0.77 -4.50 118.68 119.06 3ikk s LEU 30 Ca 0.52 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 3ikk s LEU 30 Cb -0.24 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.78 3ikk s LEU 30 CO 0.30 0.18 0.04 -0.75 -1.32 0.00 0.00 176.35 174.80 3ikk s LYS 31 N 0.27 3.10 -0.17 1.98 2.20 -0.60 0.29 119.74 126.80 3ikk s LYS 31 Ca -0.07 -0.84 -0.12 0.00 -0.36 0.00 0.00 55.97 54.59 3ikk s LYS 31 Cb -0.15 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 3ikk s LYS 31 CO 0.04 -0.39 0.22 -0.51 -0.36 0.00 0.00 175.35 174.35 3ikk s LEU 32 N 1.47 4.23 0.14 5.43 1.43 0.45 -1.88 118.68 129.96 3ikk s LEU 32 Ca 0.03 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3ikk s LEU 32 Cb -0.17 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3ikk s LEU 32 CO 0.00 0.14 0.20 -0.83 0.23 0.00 0.00 176.35 176.10 3ikk s GLY 33 N 0.37 1.77 -0.42 -3.19 0.00 0.14 -1.37 107.32 104.62 3ikk s GLY 33 Ca 0.13 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3ikk s GLY 33 CO 0.01 -1.09 0.23 0.21 0.00 0.00 0.00 173.10 172.47 3ikk s ASN 34 N -3.07 3.52 0.00 1.64 3.04 -0.88 -2.32 114.94 116.88 3ikk s ASN 34 Ca 0.33 -2.54 0.21 0.00 0.04 0.00 0.00 52.86 50.90 3ikk s ASN 34 Cb -0.11 -0.92 1.25 0.00 -1.54 0.00 0.00 41.25 39.94 3ikk s ASN 34 CO 0.26 -0.28 1.65 -2.65 -3.04 0.00 0.00 177.10 173.04 3ikk n PRO 35 N 3.64 0.64 -3.68 0.43 -0.02 -1.26 0.46 135.00 135.21 3ikk n PRO 35 Ca 0.09 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 3ikk n PRO 35 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 3ikk n PRO 35 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ikk s THR 36 N -2.03 2.34 -2.09 3.45 -4.23 -1.26 -4.76 115.64 107.05 3ikk s THR 36 Ca 0.31 -1.40 0.14 0.00 -1.18 0.00 0.00 61.69 59.56 3ikk s THR 36 Cb 0.15 -2.74 0.37 0.00 1.34 0.00 0.00 72.50 71.62 3ikk s THR 36 CO 0.25 0.00 1.36 -0.90 -0.54 0.00 0.00 174.62 174.79 3ikk n ASP 37 N -1.61 1.92 -4.12 3.99 5.75 -1.26 -3.02 116.55 118.21 3ikk n ASP 37 Ca 0.02 -1.91 -0.25 0.00 -0.01 0.00 0.00 54.79 52.64 3ikk n ASP 37 Cb 0.63 -0.21 -0.16 0.00 -1.03 0.00 0.00 41.12 40.35 3ikk n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ikk s ARG 38 N -1.59 1.56 0.17 0.11 0.52 -1.26 -4.86 118.95 113.60 3ikk s ARG 38 Ca 0.27 -0.56 -0.32 0.00 -0.52 0.00 0.00 55.73 54.61 3ikk s ARG 38 Cb 0.14 -1.40 -0.12 0.00 0.52 0.00 0.00 34.95 34.10 3ikk s ARG 38 CO 0.20 0.25 1.77 0.09 0.02 0.00 0.00 175.30 177.62 3ikk n ASN 39 N 3.07 3.98 -4.59 0.23 3.02 -1.26 -4.61 115.26 115.10 3ikk n ASN 39 Ca -0.17 1.03 -0.35 0.00 -0.03 0.00 0.00 54.58 55.05 3ikk n ASN 39 Cb 0.53 -1.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.04 3ikk n ASN 39 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ikk s VAL 40 N 1.83 4.77 -0.00 2.41 1.01 -0.88 -0.49 120.40 129.04 3ikk s VAL 40 Ca 0.78 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 3ikk s VAL 40 Cb -0.50 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3ikk s VAL 40 CO 0.35 0.41 0.66 0.00 0.00 0.00 0.00 175.10 176.52 3ikk s PHE 42 N 0.06 1.87 -0.11 0.00 -0.12 0.47 -0.75 117.98 119.40 3ikk s PHE 42 Ca 0.34 -0.46 -0.04 0.00 -0.05 0.00 0.00 56.93 56.72 3ikk s PHE 42 Cb -0.19 -0.92 0.06 0.00 -0.63 0.00 0.00 43.02 41.34 3ikk s PHE 42 CO 0.19 0.37 0.15 0.21 -0.05 0.00 0.00 175.22 176.09 3ikk s LYS 43 N -2.93 0.05 -0.38 1.99 2.20 0.13 -0.08 119.74 120.72 3ikk s LYS 43 Ca 0.18 0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.99 3ikk s LYS 43 Cb -0.05 -0.71 0.01 0.00 -1.51 0.00 0.00 37.83 35.57 3ikk s LYS 43 CO 0.07 -0.43 0.49 0.08 -0.36 0.00 0.00 175.35 175.21 3ikk s VAL 44 N 2.26 5.02 0.20 4.02 1.01 0.19 0.43 120.40 133.54 3ikk s VAL 44 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.15 3ikk s VAL 44 Cb -0.13 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3ikk s VAL 44 CO -0.07 -0.32 0.11 -0.54 0.00 0.00 0.00 175.10 174.27 3ikk s LYS 45 N 2.34 2.72 0.31 2.72 1.02 0.67 -4.77 119.74 124.76 3ikk s LYS 45 Ca 0.17 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 55.15 3ikk s LYS 45 Cb -0.16 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 3ikk s LYS 45 CO 0.14 0.44 0.14 -0.08 -0.92 0.00 0.00 175.35 175.07 3ikk s THR 46 N -1.92 0.45 0.05 2.17 -1.32 -1.26 0.36 115.64 114.17 3ikk s THR 46 Ca 0.31 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.71 3ikk s THR 46 Cb -0.09 -2.53 -0.30 0.00 -1.51 0.00 0.00 72.50 68.07 3ikk s THR 46 CO 0.22 0.00 1.05 0.74 -2.21 0.00 0.00 174.62 174.42 3ikk h THR 47 N 2.17 1.38 -2.46 5.08 2.02 -1.85 -3.40 112.91 115.85 3ikk h THR 47 Ca -0.35 -2.91 -0.69 0.00 0.77 0.00 0.00 66.41 63.23 3ikk h THR 47 Cb 1.25 2.94 -0.36 0.00 -1.74 0.00 0.00 68.15 70.25 3ikk h THR 47 CO 0.55 0.86 0.02 0.00 0.37 0.00 0.00 175.52 177.32 3ikk n ALA 48 N -2.61 4.68 -0.30 6.16 0.00 -1.26 -4.92 120.51 122.26 3ikk n ALA 48 Ca -0.12 -4.77 0.23 0.00 0.00 0.00 0.00 53.44 48.77 3ikk n ALA 48 Cb 1.05 -1.50 0.53 0.00 0.00 0.00 0.00 19.45 19.54 3ikk n ALA 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ikk h PRO 49 N 4.51 0.35 -0.00 0.00 0.11 -1.85 1.22 132.00 136.33 3ikk h PRO 49 Ca 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3ikk h PRO 49 Cb 0.60 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3ikk h PRO 49 CO 1.04 0.23 -0.23 0.54 -0.21 0.00 0.00 178.00 179.38 3ikk n ARG 50 N -4.55 0.23 -0.05 1.05 1.74 -1.26 -3.75 116.66 110.07 3ikk n ARG 50 Ca 0.24 -0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 3ikk n ARG 50 Cb 0.86 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.66 3ikk n ARG 50 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ikk n ARG 51 N -1.31 0.68 -4.33 5.56 5.12 0.40 -4.95 116.66 117.83 3ikk n ARG 51 Ca 0.09 0.20 -0.24 0.00 -1.93 0.00 0.00 57.85 55.96 3ikk n ARG 51 Cb 0.32 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 29.87 3ikk n ARG 51 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3ikk s TYR 52 N -2.55 2.56 0.11 -1.55 2.02 -0.01 -2.01 117.35 115.92 3ikk s TYR 52 Ca -0.14 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.19 3ikk s TYR 52 Cb 0.07 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 3ikk s TYR 52 CO 0.78 0.49 -0.14 0.00 -1.57 0.00 0.00 175.55 175.11 3ikk s VAL 54 N -2.03 0.41 -0.39 0.00 1.01 -1.26 -1.71 120.40 116.42 3ikk s VAL 54 Ca 0.07 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3ikk s VAL 54 Cb -0.05 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.10 3ikk s VAL 54 CO 0.02 -0.65 0.22 -0.13 0.00 0.00 0.00 175.10 174.56 3ikk s ARG 55 N 1.86 2.69 0.12 2.72 1.81 -0.94 -0.38 118.95 126.85 3ikk s ARG 55 Ca 0.08 -1.27 -0.23 0.00 -1.72 0.00 0.00 55.73 52.59 3ikk s ARG 55 Cb -0.17 -3.71 -0.07 0.00 -0.45 0.00 0.00 34.95 30.55 3ikk s ARG 55 CO -0.28 -0.81 0.71 -2.14 -0.68 0.00 0.00 175.30 172.10 3ikk s PRO 56 N 1.47 4.45 0.04 3.54 0.02 -1.26 -1.41 135.00 141.86 3ikk s PRO 56 Ca 0.02 1.02 0.25 0.00 0.02 0.00 0.00 61.00 62.31 3ikk s PRO 56 Cb -0.21 -3.27 0.56 0.00 0.02 0.00 0.00 34.50 31.60 3ikk s PRO 56 CO 0.04 0.56 1.46 0.27 -0.33 0.00 0.00 177.00 179.00 3ikk n ASN 57 N 1.77 0.50 -3.17 2.53 0.23 0.49 -4.63 115.26 112.99 3ikk n ASN 57 Ca -0.07 -0.01 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 3ikk n ASN 57 Cb 0.49 0.09 -0.02 0.00 -2.08 0.00 0.00 39.78 38.27 3ikk n ASN 57 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3ikk s SER 58 N -3.44 0.65 0.00 0.53 1.04 -1.26 0.53 113.70 111.75 3ikk s SER 58 Ca 0.10 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.15 3ikk s SER 58 Cb 0.16 0.72 0.00 0.00 0.10 0.00 0.00 66.02 67.00 3ikk s SER 58 CO 0.68 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3ikk n GLY 59 N -0.55 0.83 3.24 7.32 0.00 0.89 -4.88 105.19 112.04 3ikk n GLY 59 Ca -0.02 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 3ikk n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ikk s ILE 60 N -1.61 2.07 -0.31 -0.61 1.01 -1.26 0.18 121.20 120.66 3ikk s ILE 60 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 3ikk s ILE 60 Cb 0.00 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3ikk s ILE 60 CO 0.00 0.56 0.19 -0.63 0.00 0.00 0.00 174.94 175.07 3ikk s ILE 61 N 0.13 5.03 1.03 2.92 1.01 0.11 -4.95 121.20 126.46 3ikk s ILE 61 Ca -0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 3ikk s ILE 61 Cb -0.16 -3.53 0.12 0.00 0.01 0.00 0.00 42.46 38.90 3ikk s ILE 61 CO 0.07 0.09 0.56 0.47 0.00 0.00 0.00 174.94 176.13 3ikk n ASP 62 N 5.05 -1.60 -4.63 3.58 8.00 -1.26 -2.07 116.55 123.62 3ikk n ASP 62 Ca -0.13 0.15 -0.43 0.00 0.71 0.00 0.00 54.79 55.09 3ikk n ASP 62 Cb 0.50 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 3ikk n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ikk s ALA 63 N -2.41 3.28 0.00 2.24 0.00 -1.26 -2.23 121.76 121.38 3ikk s ALA 63 Ca 0.61 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3ikk s ALA 63 Cb -0.20 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.09 3ikk s ALA 63 CO 0.65 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.89 3ikk n GLY 64 N 4.57 0.74 3.96 0.00 0.00 0.17 -4.92 105.19 109.70 3ikk n GLY 64 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3ikk n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikk s ALA 65 N -2.40 4.00 0.15 4.61 0.00 -0.95 -4.81 121.76 122.37 3ikk s ALA 65 Ca 0.00 -1.34 0.10 0.00 0.00 0.00 0.00 51.96 50.72 3ikk s ALA 65 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3ikk s ALA 65 CO 0.00 0.14 -0.21 -1.54 0.00 0.00 0.00 175.76 174.15 3ikk s SER 66 N -4.03 3.63 -0.04 0.00 1.04 -1.26 -2.07 113.70 110.97 3ikk s SER 66 Ca 0.38 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 56.11 3ikk s SER 66 Cb -0.09 -0.39 0.01 0.00 0.10 0.00 0.00 66.02 65.66 3ikk s SER 66 CO 0.29 0.15 -0.07 -0.63 0.98 0.00 0.00 173.24 173.96 3ikk s ILE 67 N -1.35 0.70 -0.37 -1.02 1.01 -0.47 -4.99 121.20 114.70 3ikk s ILE 67 Ca 0.19 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 3ikk s ILE 67 Cb -0.09 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3ikk s ILE 67 CO 0.10 0.25 0.60 0.20 0.00 0.00 0.00 174.94 176.08 3ikk s ASN 68 N 0.65 6.37 -0.35 3.58 -0.87 -1.26 -0.41 114.94 122.65 3ikk s ASN 68 Ca -0.10 -0.02 -0.21 0.00 -1.57 0.00 0.00 52.86 50.96 3ikk s ASN 68 Cb -0.13 -2.31 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 3ikk s ASN 68 CO 0.01 -0.60 0.67 -0.69 -2.57 0.00 0.00 177.10 173.92 3ikk s VAL 69 N 2.63 4.86 -0.13 1.60 1.01 0.83 -4.80 120.40 126.41 3ikk s VAL 69 Ca 0.22 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3ikk s VAL 69 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3ikk s VAL 69 CO 0.15 -0.30 1.37 -0.44 0.00 0.00 0.00 175.10 175.88 3ikk s SER 70 N 1.76 6.87 -0.33 3.32 0.01 -0.50 -0.17 113.70 124.66 3ikk s SER 70 Ca 0.26 1.86 -0.01 0.00 1.31 0.00 0.00 55.95 59.37 3ikk s SER 70 Cb -0.14 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.62 3ikk s SER 70 CO 0.15 -0.80 0.06 -0.69 0.41 0.00 0.00 173.24 172.36 3ikk s VAL 71 N 3.56 2.91 -0.20 3.43 1.01 -0.46 -2.21 120.40 128.43 3ikk s VAL 71 Ca 0.60 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 3ikk s VAL 71 Cb -0.25 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3ikk s VAL 71 CO 0.19 -0.34 0.07 -0.04 0.00 0.00 0.00 175.10 174.98 3ikk s MET 72 N 1.16 3.88 -0.17 2.72 -1.94 -0.69 -1.05 119.30 123.20 3ikk s MET 72 Ca 0.01 -0.38 -0.08 0.00 -1.71 0.00 0.00 55.69 53.53 3ikk s MET 72 Cb -0.21 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 3ikk s MET 72 CO -0.03 0.12 0.09 -1.17 -0.01 0.00 0.00 175.02 174.02 3ikk s LEU 73 N 0.78 3.99 0.49 -0.03 2.96 0.34 -1.24 118.68 125.98 3ikk s LEU 73 Ca 0.04 0.18 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 3ikk s LEU 73 Cb -0.13 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.47 3ikk s LEU 73 CO 0.02 0.22 0.99 -1.10 -1.32 0.00 0.00 176.35 175.17 3ikk s GLN 74 N 0.09 3.93 0.76 1.98 -1.52 -0.85 -0.31 119.66 123.75 3ikk s GLN 74 Ca 0.07 1.10 -0.15 0.00 -1.95 0.00 0.00 55.36 54.43 3ikk s GLN 74 Cb -0.12 -2.13 0.05 0.00 -0.22 0.00 0.00 33.01 30.59 3ikk s GLN 74 CO 0.00 -0.29 1.21 -2.30 -0.25 0.00 0.00 175.29 173.66 3ikk n PRO 75 N -1.25 0.45 -3.60 2.91 -0.02 -1.26 -4.84 135.00 127.40 3ikk n PRO 75 Ca 0.07 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 3ikk n PRO 75 Cb 0.54 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3ikk n PRO 75 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ikk s PHE 76 N -1.91 -0.03 -0.18 6.00 -0.12 0.03 -4.98 117.98 116.79 3ikk s PHE 76 Ca 0.76 -0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 57.32 3ikk s PHE 76 Cb -0.32 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 3ikk s PHE 76 CO 0.48 -0.17 1.16 -0.51 -0.05 0.00 0.00 175.22 176.13 3ikk s ASP 77 N -2.90 7.03 -0.11 1.98 1.01 -1.26 -4.38 116.67 118.03 3ikk s ASP 77 Ca 0.14 1.58 -0.04 0.00 0.71 0.00 0.00 52.55 54.94 3ikk s ASP 77 Cb 0.05 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3ikk s ASP 77 CO -0.05 -0.69 0.04 -0.47 0.21 0.00 0.00 175.17 174.21 3ikk s TYR 78 N 3.18 3.26 0.21 4.23 5.04 -1.26 -5.10 117.35 126.91 3ikk s TYR 78 Ca 0.50 0.22 0.03 0.00 -2.44 0.00 0.00 57.07 55.38 3ikk s TYR 78 Cb -0.19 -1.87 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 3ikk s TYR 78 CO 0.12 0.45 0.36 0.34 -1.34 0.00 0.00 175.55 175.48 3ikk s ASP 79 N -0.65 6.34 0.01 4.32 -1.08 -1.26 -5.02 116.67 119.33 3ikk s ASP 79 Ca 0.11 0.21 -0.02 0.00 -0.52 0.00 0.00 52.55 52.33 3ikk s ASP 79 Cb -0.12 -1.92 -0.27 0.00 -1.46 0.00 0.00 42.92 39.15 3ikk s ASP 79 CO 0.02 -0.05 0.90 -0.65 0.52 0.00 0.00 175.17 175.91 3ikk h PRO 80 N 1.60 0.23 0.56 4.34 0.11 -2.01 -3.40 132.00 133.43 3ikk h PRO 80 Ca -0.50 -0.39 -0.03 0.00 0.11 0.00 0.00 66.00 65.19 3ikk h PRO 80 Cb 1.21 0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.47 3ikk h PRO 80 CO 0.65 1.09 -0.27 -0.91 -0.21 0.00 0.00 178.00 178.35 3ikk h ASN 81 N 0.06 -0.63 -0.31 -2.05 -0.26 -2.02 -3.45 115.58 106.92 3ikk h ASN 81 Ca -0.22 0.02 -0.23 0.00 -0.56 0.00 0.00 56.30 55.31 3ikk h ASN 81 Cb 2.00 0.16 0.02 0.00 -1.06 0.00 0.00 38.32 39.45 3ikk h ASN 81 CO 0.16 -0.44 -0.07 -1.84 -1.06 0.00 0.00 177.43 174.18 3ikk n GLU 82 N -4.08 0.00 -2.93 0.81 -0.00 -1.26 -4.92 120.64 108.25 3ikk n GLU 82 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 57.16 56.86 3ikk n GLU 82 Cb 0.30 -0.39 0.02 0.00 -0.00 0.00 0.00 31.44 31.36 3ikk n GLU 82 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3ikk s LYS 83 N -0.15 2.87 -0.20 3.44 3.01 -1.26 -4.93 119.74 122.52 3ikk s LYS 83 Ca 0.24 -0.73 -0.07 0.00 -1.01 0.00 0.00 55.97 54.40 3ikk s LYS 83 Cb -0.35 -2.59 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 3ikk s LYS 83 CO 0.18 -0.38 0.04 0.45 0.51 0.00 0.00 175.35 176.15 3ikk s SER 84 N -4.30 5.27 -0.24 2.83 0.15 -1.26 -4.97 113.70 111.18 3ikk s SER 84 Ca 0.52 -0.07 0.13 0.00 0.70 0.00 0.00 55.95 57.23 3ikk s SER 84 Cb -0.10 -1.91 0.55 0.00 -1.71 0.00 0.00 66.02 62.85 3ikk s SER 84 CO 0.37 0.10 1.49 0.29 1.20 0.00 0.00 173.24 176.69 3ikk n LYS 85 N 4.04 2.65 -2.95 5.44 5.02 -1.26 -4.70 118.16 126.39 3ikk n LYS 85 Ca -0.17 -2.98 -0.40 0.00 -2.02 0.00 0.00 58.31 52.75 3ikk n LYS 85 Cb 0.52 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3ikk n LYS 85 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3ikk s HIS 86 N -2.99 3.88 -0.03 2.13 3.76 -1.26 -5.02 115.29 115.76 3ikk s HIS 86 Ca 0.45 1.64 0.07 0.00 -0.15 0.00 0.00 55.06 57.06 3ikk s HIS 86 Cb 0.38 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 3ikk s HIS 86 CO 0.07 0.46 -0.24 0.15 -0.85 0.00 0.00 174.74 174.32 3ikk s LYS 87 N -0.91 2.12 -0.18 1.40 -0.14 -1.26 -2.98 119.74 117.78 3ikk s LYS 87 Ca 0.37 -0.86 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 3ikk s LYS 87 Cb -0.23 -1.96 -0.01 0.00 -1.68 0.00 0.00 37.83 33.95 3ikk s LYS 87 CO 0.26 0.47 -0.06 -0.06 -0.76 0.00 0.00 175.35 175.20 3ikk s PHE 88 N -0.43 2.93 -0.22 3.18 0.08 -0.91 -2.23 117.98 120.38 3ikk s PHE 88 Ca 0.05 -0.72 -0.03 0.00 0.12 0.00 0.00 56.93 56.35 3ikk s PHE 88 Cb -0.11 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3ikk s PHE 88 CO 0.00 -0.35 -0.06 -1.64 -0.10 0.00 0.00 175.22 173.07 3ikk s MET 89 N 0.94 3.24 -0.25 0.44 -1.94 0.16 -1.23 119.30 120.66 3ikk s MET 89 Ca -0.01 -0.71 -0.07 0.00 -1.71 0.00 0.00 55.69 53.19 3ikk s MET 89 Cb -0.15 -2.96 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 3ikk s MET 89 CO 0.00 -0.23 0.07 0.08 -0.01 0.00 0.00 175.02 174.93 3ikk s VAL 90 N 1.43 4.35 -0.04 -6.03 1.01 -1.16 0.24 120.40 120.20 3ikk s VAL 90 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3ikk s VAL 90 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3ikk s VAL 90 CO -0.05 0.34 0.12 -1.10 0.00 0.00 0.00 175.10 174.42 3ikk s GLN 91 N 1.54 3.25 -0.02 2.72 -0.21 0.17 -2.93 119.66 124.19 3ikk s GLN 91 Ca 0.06 -0.35 -0.06 0.00 0.02 0.00 0.00 55.36 55.03 3ikk s GLN 91 Cb -0.15 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.86 3ikk s GLN 91 CO 0.04 0.69 0.13 -1.54 -2.12 0.00 0.00 175.29 172.49 3ikk s SER 92 N -1.55 -0.02 -0.28 5.90 1.04 0.14 0.22 113.70 119.14 3ikk s SER 92 Ca 0.21 -0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.41 3ikk s SER 92 Cb -0.12 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.32 3ikk s SER 92 CO 0.12 -0.26 0.76 0.00 0.98 0.00 0.00 173.24 174.84 3ikk s MET 93 N -0.89 0.67 0.27 4.02 0.23 0.07 -0.02 119.30 123.65 3ikk s MET 93 Ca -0.10 1.05 -0.28 0.00 -1.03 0.00 0.00 55.69 55.33 3ikk s MET 93 Cb -0.06 0.19 -0.14 0.00 -1.53 0.00 0.00 34.83 33.29 3ikk s MET 93 CO 0.01 -0.12 0.96 1.19 -2.03 0.00 0.00 175.02 175.03 3ikk n PHE 94 N 3.77 1.08 -2.85 3.16 3.72 -1.26 -1.12 117.46 123.95 3ikk n PHE 94 Ca -0.18 0.73 -0.43 0.00 -0.05 0.00 0.00 57.45 57.52 3ikk n PHE 94 Cb 0.58 -2.22 -0.03 0.00 -0.94 0.00 0.00 39.48 36.86 3ikk n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ikk s ALA 95 N -1.00 3.15 0.17 4.37 0.00 0.36 -4.77 121.76 124.03 3ikk s ALA 95 Ca 0.60 -2.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.36 3ikk s ALA 95 Cb -0.73 -3.95 -0.08 0.00 0.00 0.00 0.00 23.12 18.36 3ikk s ALA 95 CO 0.59 -2.88 0.13 -2.30 0.00 0.00 0.00 175.76 171.31 3ikk n PRO 96 N 7.53 0.00 0.00 0.00 -0.02 -1.26 -4.64 135.00 136.61 3ikk n PRO 96 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3ikk n PRO 96 Cb 0.47 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 3ikk n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ikk n THR 97 N -0.33 1.23 -0.72 3.45 -2.24 -1.26 -1.19 114.28 113.22 3ikk n THR 97 Ca 0.07 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 3ikk n THR 97 Cb 0.18 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 3ikk n THR 97 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ikk n ASP 98 N -1.29 0.34 -4.12 3.42 8.00 -1.26 -5.12 116.55 116.53 3ikk n ASP 98 Ca 0.00 -1.06 -0.36 0.00 0.71 0.00 0.00 54.79 54.08 3ikk n ASP 98 Cb 0.14 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.32 3ikk n ASP 98 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ikk n THR 99 N -0.03 0.00 0.00 -3.53 -2.24 -0.34 -4.98 114.28 103.17 3ikk n THR 99 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ikk n THR 99 Cb 0.23 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3ikk n THR 99 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3ikk n SER 100 N 1.44 2.95 -0.88 3.42 7.64 -1.26 -5.03 113.62 121.89 3ikk n SER 100 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3ikk n SER 100 Cb 0.69 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 3ikk n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3ikk n ASP 101 N -0.95 0.00 -1.20 6.43 5.68 -1.26 -5.07 116.55 120.18 3ikk n ASP 101 Ca 0.00 -0.88 0.03 0.00 -0.50 0.00 0.00 54.79 53.44 3ikk n ASP 101 Cb 0.04 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.04 3ikk n ASP 101 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3ikk n MET 102 N 0.00 0.07 0.00 0.11 2.81 -1.26 -4.86 117.12 113.99 3ikk n MET 102 Ca 0.00 -1.80 0.00 0.00 -1.81 0.00 0.00 57.70 54.09 3ikk n MET 102 Cb 0.00 -0.20 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 3ikk n MET 102 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3ikk n GLU 103 N 0.30 0.00 0.00 0.03 0.00 -1.26 -4.32 120.64 115.38 3ikk n GLU 103 Ca 0.05 0.35 0.12 0.00 0.00 0.00 0.00 57.16 57.69 3ikk n GLU 103 Cb 1.02 -1.13 0.28 0.00 0.00 0.00 0.00 31.44 31.61 3ikk n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ikk n ALA 104 N -1.56 3.36 -0.34 4.31 0.00 -1.26 -4.38 120.51 120.64 3ikk n ALA 104 Ca 0.00 -0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.17 3ikk n ALA 104 Cb 0.00 -1.08 0.35 0.00 0.00 0.00 0.00 19.45 18.71 3ikk n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ikk h VAL 105 N 0.84 0.59 -0.39 0.00 2.07 -1.89 -0.49 116.25 116.98 3ikk h VAL 105 Ca 0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3ikk h VAL 105 Cb 0.52 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ikk h VAL 105 CO 0.00 0.11 0.10 -0.50 0.02 0.00 0.00 177.57 177.30 3ikk h TRP 106 N 0.61 0.64 0.00 1.57 4.06 -1.83 -0.19 115.95 120.82 3ikk h TRP 106 Ca 0.61 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.48 3ikk h TRP 106 Cb 1.08 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 3ikk h TRP 106 CO -0.03 0.62 0.00 0.36 -3.56 0.00 0.00 178.44 175.83 3ikk n LYS 107 N -4.58 0.13 -0.03 0.49 -0.00 -0.23 -2.64 118.16 111.29 3ikk n LYS 107 Ca -0.01 0.30 0.03 0.00 -0.00 0.00 0.00 58.31 58.63 3ikk n LYS 107 Cb 0.20 -1.73 0.04 0.00 -0.00 0.00 0.00 35.03 33.54 3ikk n LYS 107 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3ikk n GLU 108 N -1.98 2.24 -2.72 -1.58 0.28 -0.96 -5.03 120.64 110.89 3ikk n GLU 108 Ca 0.03 -1.68 -0.38 0.00 -0.16 0.00 0.00 57.16 54.97 3ikk n GLU 108 Cb 0.26 -1.07 -0.06 0.00 1.43 0.00 0.00 31.44 31.99 3ikk n GLU 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ikk s ALA 109 N -1.37 3.26 1.01 -1.84 0.00 -0.10 -5.03 121.76 117.70 3ikk s ALA 109 Ca 0.08 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 3ikk s ALA 109 Cb 0.07 -3.21 0.20 0.00 0.00 0.00 0.00 23.12 20.18 3ikk s ALA 109 CO 0.01 0.12 1.16 0.15 0.00 0.00 0.00 175.76 177.20 3ikk s LYS 110 N -1.73 0.29 0.14 0.00 3.01 -1.26 -4.93 119.74 115.26 3ikk s LYS 110 Ca 0.47 0.09 0.14 0.00 -1.01 0.00 0.00 55.97 55.66 3ikk s LYS 110 Cb -0.23 -1.76 -0.08 0.00 -1.01 0.00 0.00 37.83 34.75 3ikk s LYS 110 CO 0.29 -2.74 1.13 -1.35 0.51 0.00 0.00 175.35 173.19 3ikk h PRO 111 N -1.88 0.00 0.00 -1.68 0.11 -1.97 -2.85 132.00 123.72 3ikk h PRO 111 Ca -0.48 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 3ikk h PRO 111 Cb 1.30 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 3ikk h PRO 111 CO 0.50 0.53 -1.20 0.93 -0.21 0.00 0.00 178.00 178.55 3ikk h GLU 112 N 0.00 0.00 -0.25 1.05 5.08 -1.94 -3.22 114.58 115.30 3ikk h GLU 112 Ca -0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3ikk h GLU 112 Cb 1.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3ikk h GLU 112 CO 0.07 0.80 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.26 3ikk h ASP 113 N 0.00 0.44 -4.22 1.42 3.32 -1.95 -3.40 116.42 112.03 3ikk h ASP 113 Ca -0.10 -0.13 -0.51 0.00 0.02 0.00 0.00 57.03 56.32 3ikk h ASP 113 Cb 1.82 -0.12 0.10 0.00 0.22 0.00 0.00 39.33 41.35 3ikk h ASP 113 CO 0.11 0.64 0.37 -0.76 -1.72 0.00 0.00 179.24 177.88 3ikk s LEU 114 N -8.74 3.34 -0.10 1.55 1.43 -1.08 -4.67 118.68 110.41 3ikk s LEU 114 Ca -0.07 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.96 3ikk s LEU 114 Cb 0.14 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.86 3ikk s LEU 114 CO 0.78 -1.63 0.02 -0.04 0.23 0.00 0.00 176.35 175.70 3ikk s MET 115 N -4.24 0.56 0.28 1.70 -1.94 0.97 -4.90 119.30 111.74 3ikk s MET 115 Ca 0.65 -0.01 0.11 0.00 -1.71 0.00 0.00 55.69 54.74 3ikk s MET 115 Cb -0.19 -1.25 -0.05 0.00 2.01 0.00 0.00 34.83 35.34 3ikk s MET 115 CO 0.43 -0.40 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.38 3ikk s ASP 116 N 1.96 3.78 -0.28 3.03 1.01 -1.26 0.25 116.67 125.16 3ikk s ASP 116 Ca 0.04 -0.97 -0.18 0.00 0.71 0.00 0.00 52.55 52.14 3ikk s ASP 116 Cb -0.13 -0.40 0.10 0.00 1.01 0.00 0.00 42.92 43.49 3ikk s ASP 116 CO -0.06 0.01 0.79 -0.44 0.21 0.00 0.00 175.17 175.69 3ikk s SER 117 N -3.55 -0.77 -0.08 0.27 0.01 -1.15 -4.61 113.70 103.83 3ikk s SER 117 Ca 0.30 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.84 3ikk s SER 117 Cb -0.05 1.31 -0.03 0.00 0.21 0.00 0.00 66.02 67.46 3ikk s SER 117 CO 0.16 -0.21 -0.01 -0.54 0.41 0.00 0.00 173.24 173.05 3ikk s LYS 118 N 1.23 2.93 -0.09 12.44 1.02 -1.26 -3.01 119.74 132.99 3ikk s LYS 118 Ca -0.07 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.52 3ikk s LYS 118 Cb -0.05 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3ikk s LYS 118 CO -0.14 0.69 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.25 3ikk s LEU 119 N -0.91 2.02 1.07 3.17 1.02 -0.37 -4.86 118.68 119.82 3ikk s LEU 119 Ca 0.13 -0.52 -0.12 0.00 0.02 0.00 0.00 54.13 53.65 3ikk s LEU 119 Cb -0.11 -1.32 0.23 0.00 0.02 0.00 0.00 46.19 45.01 3ikk s LEU 119 CO 0.03 0.14 1.07 -0.13 0.02 0.00 0.00 176.35 177.48 3ikk s ARG 120 N 0.39 -0.18 -0.03 1.70 3.00 0.48 -2.14 118.95 122.17 3ikk s ARG 120 Ca -0.18 1.08 0.03 0.00 0.00 0.00 0.00 55.73 56.66 3ikk s ARG 120 Cb -0.18 -1.62 -0.00 0.00 0.00 0.00 0.00 34.95 33.15 3ikk s ARG 120 CO 0.08 -3.30 -0.13 0.00 0.00 0.00 0.00 175.30 171.96 3ikk s VAL 122 N 0.05 0.54 -0.11 0.00 1.01 0.68 -4.51 120.40 118.06 3ikk s VAL 122 Ca -0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 3ikk s VAL 122 Cb -0.09 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 3ikk s VAL 122 CO 0.01 0.22 0.26 -0.36 0.00 0.00 0.00 175.10 175.23 3ikk s PHE 123 N 0.83 3.56 0.35 5.22 0.08 -1.26 -0.38 117.98 126.38 3ikk s PHE 123 Ca -0.11 0.65 0.06 0.00 0.12 0.00 0.00 56.93 57.65 3ikk s PHE 123 Cb -0.14 -2.19 -0.07 0.00 -0.57 0.00 0.00 43.02 40.06 3ikk s PHE 123 CO 0.00 0.50 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.41 3ikk s GLU 124 N -0.38 1.75 0.00 0.44 2.02 0.13 -4.92 118.70 117.74 3ikk s GLU 124 Ca 0.17 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.21 3ikk s GLU 124 Cb -0.13 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.79 3ikk s GLU 124 CO 0.06 -0.04 0.00 1.28 0.02 0.00 0.00 175.26 176.57