#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikk n ALA 2 N 0.00 5.66 -2.67 -5.12 0.00 -1.26 -5.05 120.51 112.07 3ikk n ALA 2 Ca 0.00 -4.09 -0.41 0.00 0.00 0.00 0.00 53.44 48.94 3ikk n ALA 2 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 19.45 16.19 3ikk n ALA 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3ikk s LYS 3 N 1.49 4.27 -0.08 0.00 2.20 -1.26 -4.89 119.74 121.46 3ikk s LYS 3 Ca 0.45 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.67 3ikk s LYS 3 Cb 0.12 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3ikk s LYS 3 CO -0.04 -0.32 1.09 0.54 -0.36 0.00 0.00 175.35 176.26 3ikk s VAL 4 N 2.14 4.55 0.77 4.02 0.11 -1.26 -4.99 120.40 125.74 3ikk s VAL 4 Ca 0.36 1.84 -0.15 0.00 -2.93 0.00 0.00 61.98 61.10 3ikk s VAL 4 Cb -0.16 -4.18 0.03 0.00 -1.53 0.00 0.00 36.38 30.54 3ikk s VAL 4 CO 0.11 0.01 1.00 -1.84 -3.33 0.00 0.00 175.10 171.05 3ikk n GLU 5 N 5.04 0.34 -1.66 1.54 0.28 -1.26 -4.67 120.64 120.24 3ikk n GLU 5 Ca 0.10 0.18 -0.47 0.00 -0.16 0.00 0.00 57.16 56.81 3ikk n GLU 5 Cb 0.48 -2.26 -0.04 0.00 1.43 0.00 0.00 31.44 31.04 3ikk n GLU 5 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3ikk n GLN 6 N -2.30 2.06 0.07 3.44 -0.06 -1.26 -4.90 117.38 114.43 3ikk n GLN 6 Ca 0.13 0.75 -0.15 0.00 -2.00 0.00 0.00 57.00 55.72 3ikk n GLN 6 Cb 0.50 -2.51 -0.14 0.00 -4.06 0.00 0.00 30.24 24.03 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 3.78 1.29 -3.90 1.69 2.07 -1.95 -3.46 116.25 115.77 3ikk h VAL 7 Ca -0.45 -2.92 -0.51 0.00 0.82 0.00 0.00 66.70 63.63 3ikk h VAL 7 Cb 1.26 2.81 0.05 0.00 -1.52 0.00 0.00 31.29 33.89 3ikk h VAL 7 CO 0.89 0.84 0.55 -0.76 0.02 0.00 0.00 177.57 179.10 3ikk s LEU 8 N -6.97 4.32 0.31 2.57 1.43 -1.26 -4.64 118.68 114.44 3ikk s LEU 8 Ca -0.06 2.46 -0.23 0.00 -1.03 0.00 0.00 54.13 55.27 3ikk s LEU 8 Cb 0.07 -3.84 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 3ikk s LEU 8 CO 0.86 -0.56 0.87 -0.94 0.23 0.00 0.00 176.35 176.81 3ikk s SER 9 N -0.87 7.18 0.17 2.29 1.04 -0.97 -4.92 113.70 117.62 3ikk s SER 9 Ca 0.53 1.67 0.10 0.00 0.48 0.00 0.00 55.95 58.73 3ikk s SER 9 Cb -0.34 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.22 3ikk s SER 9 CO 0.44 -0.09 -0.19 -0.76 0.98 0.00 0.00 173.24 173.62 3ikk s LEU 10 N -2.23 2.61 -0.27 2.42 1.02 -1.26 -1.91 118.68 119.06 3ikk s LEU 10 Ca 0.50 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.92 3ikk s LEU 10 Cb -0.16 -1.36 0.16 0.00 0.02 0.00 0.00 46.19 44.84 3ikk s LEU 10 CO 0.21 0.13 0.45 -0.70 0.02 0.00 0.00 176.35 176.46 3ikk s GLU 11 N -2.60 0.43 0.96 1.70 -6.30 -0.44 -3.89 118.70 108.56 3ikk s GLU 11 Ca 0.21 0.47 -0.12 0.00 -2.50 0.00 0.00 54.97 53.03 3ikk s GLU 11 Cb -0.09 -0.18 0.17 0.00 0.00 0.00 0.00 34.13 34.04 3ikk s GLU 11 CO 0.11 -0.82 1.09 -2.14 0.02 0.00 0.00 175.26 173.52 3ikk s PRO 12 N 2.62 0.68 -0.02 4.30 0.02 -1.26 -1.11 135.00 140.23 3ikk s PRO 12 Ca 0.13 0.93 0.20 0.00 0.02 0.00 0.00 61.00 62.28 3ikk s PRO 12 Cb -0.14 -1.73 -0.29 0.00 0.02 0.00 0.00 34.50 32.36 3ikk s PRO 12 CO -0.23 -2.67 0.57 0.94 -0.33 0.00 0.00 177.00 175.29 3ikk n GLN 13 N -4.19 0.55 0.00 5.54 7.27 -1.25 -4.80 117.38 120.50 3ikk n GLN 13 Ca 0.07 -0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.01 3ikk n GLN 13 Cb 0.55 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.72 3ikk n GLN 13 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3ikk n HIS 14 N -2.00 0.00 -3.62 3.69 8.25 -1.26 -4.88 115.22 115.41 3ikk n HIS 14 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3ikk n HIS 14 Cb 0.47 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 3ikk n HIS 14 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3ikk s GLU 15 N -1.68 0.98 -0.16 -0.41 -1.05 -1.26 -0.74 118.70 114.38 3ikk s GLU 15 Ca 0.00 -0.30 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 3ikk s GLU 15 Cb 0.00 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.12 3ikk s GLU 15 CO 0.00 -0.35 -0.09 -0.51 0.95 0.00 0.00 175.26 175.26 3ikk s LEU 16 N -2.00 2.86 0.14 1.83 1.43 -0.54 -4.72 118.68 117.68 3ikk s LEU 16 Ca -0.05 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3ikk s LEU 16 Cb -0.01 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3ikk s LEU 16 CO -0.02 0.12 0.15 -0.54 0.23 0.00 0.00 176.35 176.29 3ikk s LYS 17 N 0.63 3.01 -0.06 1.70 1.02 -1.26 -1.28 119.74 123.49 3ikk s LYS 17 Ca -0.05 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3ikk s LYS 17 Cb -0.15 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3ikk s LYS 17 CO 0.03 0.51 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.84 3ikk s PHE 18 N -1.67 1.03 -0.28 3.18 0.08 -0.37 -4.83 117.98 115.13 3ikk s PHE 18 Ca 0.31 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 3ikk s PHE 18 Cb -0.11 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 3ikk s PHE 18 CO 0.24 -0.26 0.15 0.50 -0.10 0.00 0.00 175.22 175.75 3ikk s ARG 19 N 0.99 3.77 0.23 0.44 3.52 -1.26 -0.81 118.95 125.82 3ikk s ARG 19 Ca -0.09 -0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.04 3ikk s ARG 19 Cb -0.14 -3.55 0.05 0.00 -1.56 0.00 0.00 34.95 29.75 3ikk s ARG 19 CO 0.00 -0.22 0.31 0.41 -0.81 0.00 0.00 175.30 174.99 3ikk n GLY 20 N 5.01 -0.87 3.76 8.12 0.00 0.23 -4.77 105.19 116.67 3ikk n GLY 20 Ca -0.15 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 3ikk n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ikk s PRO 21 N -3.59 3.48 -0.23 1.61 0.04 -1.26 -4.89 135.00 130.16 3ikk s PRO 21 Ca 0.18 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.29 3ikk s PRO 21 Cb -0.01 -2.38 0.28 0.00 0.04 0.00 0.00 34.50 32.44 3ikk s PRO 21 CO 0.12 -0.87 1.56 1.19 0.04 0.00 0.00 177.00 179.05 3ikk n PHE 22 N -0.68 1.43 0.09 0.56 3.72 -1.26 -4.01 117.46 117.32 3ikk n PHE 22 Ca 0.08 -1.31 -0.13 0.00 -0.05 0.00 0.00 57.45 56.04 3ikk n PHE 22 Cb 0.46 -0.66 -0.07 0.00 -0.94 0.00 0.00 39.48 38.27 3ikk n PHE 22 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3ikk h THR 23 N 0.59 0.90 -5.13 4.37 2.02 -1.96 0.19 112.91 113.88 3ikk h THR 23 Ca 0.29 -0.01 -0.26 0.00 0.77 0.00 0.00 66.41 67.20 3ikk h THR 23 Cb 1.64 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3ikk h THR 23 CO 0.56 0.00 -0.08 -0.67 0.37 0.00 0.00 175.52 175.71 3ikk n ASP 24 N -5.15 1.42 -4.72 4.18 -0.08 -1.26 -4.53 116.55 106.42 3ikk n ASP 24 Ca -0.08 -1.85 -0.42 0.00 -1.51 0.00 0.00 54.79 50.93 3ikk n ASP 24 Cb 0.09 -0.13 -0.03 0.00 2.34 0.00 0.00 41.12 43.39 3ikk n ASP 24 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3ikk s VAL 25 N -1.05 3.91 -0.01 5.18 1.01 -1.26 -3.88 120.40 124.30 3ikk s VAL 25 Ca 0.24 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.66 3ikk s VAL 25 Cb -0.02 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3ikk s VAL 25 CO 0.15 0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 174.61 3ikk s VAL 26 N 0.87 3.58 0.06 2.92 1.01 -0.79 -4.93 120.40 123.11 3ikk s VAL 26 Ca 0.58 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3ikk s VAL 26 Cb -0.30 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3ikk s VAL 26 CO 0.30 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.87 3ikk s THR 27 N -0.94 0.72 -0.20 3.92 2.01 -1.26 0.12 115.64 120.02 3ikk s THR 27 Ca 0.16 -1.23 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 3ikk s THR 27 Cb -0.11 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.61 3ikk s THR 27 CO 0.06 -0.39 0.57 0.28 -0.69 0.00 0.00 174.62 174.45 3ikk s THR 28 N -1.57 0.00 0.32 -0.82 -1.32 0.66 -4.85 115.64 108.07 3ikk s THR 28 Ca -0.06 -0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.16 3ikk s THR 28 Cb -0.09 -0.80 -0.10 0.00 -1.51 0.00 0.00 72.50 70.00 3ikk s THR 28 CO 0.01 -0.01 0.92 0.20 -2.21 0.00 0.00 174.62 173.53 3ikk s ASN 29 N 0.16 7.28 -0.16 8.08 0.01 -1.26 -1.07 114.94 127.98 3ikk s ASN 29 Ca -0.01 1.79 -0.01 0.00 -0.71 0.00 0.00 52.86 53.92 3ikk s ASN 29 Cb -0.04 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3ikk s ASN 29 CO 0.01 -0.08 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.17 3ikk s LEU 30 N -2.14 2.61 -0.23 0.60 2.96 0.14 -4.55 118.68 118.07 3ikk s LEU 30 Ca 0.51 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 3ikk s LEU 30 Cb -0.18 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3ikk s LEU 30 CO 0.23 0.09 0.12 -0.75 -1.32 0.00 0.00 176.35 174.71 3ikk s LYS 31 N 0.80 3.97 -0.10 1.98 2.20 -0.27 0.14 119.74 128.46 3ikk s LYS 31 Ca -0.05 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.20 3ikk s LYS 31 Cb -0.15 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3ikk s LYS 31 CO 0.01 0.06 0.05 -0.51 -0.36 0.00 0.00 175.35 174.60 3ikk s LEU 32 N 1.02 3.87 0.04 5.43 1.43 -0.49 -1.33 118.68 128.65 3ikk s LEU 32 Ca 0.06 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 3ikk s LEU 32 Cb -0.14 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3ikk s LEU 32 CO 0.04 0.38 -0.12 -0.83 0.23 0.00 0.00 176.35 176.05 3ikk s GLY 33 N -0.90 0.70 -0.40 -3.19 0.00 -0.80 -0.48 107.32 102.25 3ikk s GLY 33 Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3ikk s GLY 33 CO 0.03 -0.78 0.16 0.21 0.00 0.00 0.00 173.10 172.71 3ikk s ASN 34 N -1.22 4.95 0.00 1.64 3.04 0.14 -2.29 114.94 121.20 3ikk s ASN 34 Ca -0.01 -2.24 0.11 0.00 0.04 0.00 0.00 52.86 50.76 3ikk s ASN 34 Cb -0.08 -1.72 0.36 0.00 -1.54 0.00 0.00 41.25 38.27 3ikk s ASN 34 CO 0.01 -0.43 1.29 -0.81 -3.04 0.00 0.00 177.10 174.12 3ikk n PRO 35 N 4.22 1.73 -3.21 0.43 -0.04 -1.26 0.12 135.00 136.99 3ikk n PRO 35 Ca 0.02 -1.13 -0.21 0.00 -0.04 0.00 0.00 63.50 62.15 3ikk n PRO 35 Cb 0.40 -1.27 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 3ikk n PRO 35 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ikk s THR 36 N -1.61 2.14 -0.96 0.52 -4.23 -1.26 -4.81 115.64 105.43 3ikk s THR 36 Ca 0.23 -1.10 0.13 0.00 -1.18 0.00 0.00 61.69 59.77 3ikk s THR 36 Cb 0.12 -2.24 0.59 0.00 1.34 0.00 0.00 72.50 72.31 3ikk s THR 36 CO 0.16 0.00 1.45 -0.90 -0.54 0.00 0.00 174.62 174.80 3ikk n ASP 37 N -2.10 4.13 -4.13 3.99 5.75 -1.26 -3.09 116.55 119.84 3ikk n ASP 37 Ca 0.11 -2.47 -0.18 0.00 -0.01 0.00 0.00 54.79 52.24 3ikk n ASP 37 Cb 0.62 -0.56 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.98 0.83 0.44 0.11 0.52 -1.26 -4.90 118.95 112.71 3ikk s ARG 38 Ca 0.41 -0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 54.61 3ikk s ARG 38 Cb 0.28 -0.80 -0.08 0.00 0.52 0.00 0.00 34.95 34.87 3ikk s ARG 38 CO 0.17 0.19 1.32 -0.80 0.02 0.00 0.00 175.30 176.21 3ikk s ASN 39 N -1.26 6.04 -0.26 0.23 -0.87 -1.26 -4.22 114.94 113.34 3ikk s ASN 39 Ca -0.01 2.69 0.02 0.00 -1.57 0.00 0.00 52.86 54.00 3ikk s ASN 39 Cb -0.08 -2.64 0.06 0.00 -0.02 0.00 0.00 41.25 38.57 3ikk s ASN 39 CO 0.01 -1.04 -0.07 -0.69 -2.57 0.00 0.00 177.10 172.74 3ikk s VAL 40 N -1.29 1.87 0.51 1.60 1.01 -0.76 -0.63 120.40 122.73 3ikk s VAL 40 Ca 0.61 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 3ikk s VAL 40 Cb -0.39 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 3ikk s VAL 40 CO 0.49 -0.12 1.28 0.00 0.00 0.00 0.00 175.10 176.75 3ikk s PHE 42 N -1.40 0.66 0.00 0.00 -0.12 0.28 -2.01 117.98 115.39 3ikk s PHE 42 Ca 0.69 -0.90 0.03 0.00 -0.05 0.00 0.00 56.93 56.70 3ikk s PHE 42 Cb -0.36 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.60 3ikk s PHE 42 CO 0.42 -0.24 -0.11 0.15 -0.05 0.00 0.00 175.22 175.39 3ikk s LYS 43 N -3.43 0.85 -0.35 1.99 1.02 0.10 -1.98 119.74 117.95 3ikk s LYS 43 Ca 0.05 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 3ikk s LYS 43 Cb 0.03 -0.82 0.07 0.00 -0.52 0.00 0.00 37.83 36.60 3ikk s LYS 43 CO -0.06 0.22 0.10 0.08 -0.92 0.00 0.00 175.35 174.77 3ikk s VAL 44 N -0.41 3.19 0.27 3.17 1.01 0.62 -1.57 120.40 126.68 3ikk s VAL 44 Ca 0.03 -1.65 0.06 0.00 0.00 0.00 0.00 61.98 60.42 3ikk s VAL 44 Cb -0.05 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3ikk s VAL 44 CO -0.00 -0.37 0.33 -0.54 0.00 0.00 0.00 175.10 174.52 3ikk s LYS 45 N 1.22 3.16 0.06 2.72 1.02 0.16 -4.83 119.74 123.25 3ikk s LYS 45 Ca 0.01 -0.94 -0.00 0.00 0.02 0.00 0.00 55.97 55.06 3ikk s LYS 45 Cb -0.21 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3ikk s LYS 45 CO -0.02 0.32 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.61 3ikk s THR 46 N -2.09 0.34 0.07 2.17 -1.32 -1.26 -1.21 115.64 112.32 3ikk s THR 46 Ca 0.36 -1.68 -0.06 0.00 -1.21 0.00 0.00 61.69 59.10 3ikk s THR 46 Cb -0.08 -1.34 -0.29 0.00 -1.51 0.00 0.00 72.50 69.27 3ikk s THR 46 CO 0.28 -0.87 1.11 0.74 -2.21 0.00 0.00 174.62 173.67 3ikk h THR 47 N 3.38 1.46 -3.09 5.08 2.02 -1.77 -3.40 112.91 116.58 3ikk h THR 47 Ca -0.34 -3.01 -0.62 0.00 0.77 0.00 0.00 66.41 63.21 3ikk h THR 47 Cb 1.16 2.95 -0.42 0.00 -1.74 0.00 0.00 68.15 70.10 3ikk h THR 47 CO 0.61 0.88 -0.59 0.00 0.37 0.00 0.00 175.52 176.79 3ikk s ALA 48 N -2.65 3.66 0.25 6.16 0.00 -1.26 -4.96 121.76 122.96 3ikk s ALA 48 Ca -0.05 -3.72 -0.05 0.00 0.00 0.00 0.00 51.96 48.14 3ikk s ALA 48 Cb 0.07 -2.14 0.47 0.00 0.00 0.00 0.00 23.12 21.52 3ikk s ALA 48 CO 0.89 -2.08 1.66 -1.35 0.00 0.00 0.00 175.76 174.88 3ikk h PRO 49 N 5.54 0.19 0.00 0.00 0.11 -1.86 -0.94 132.00 135.03 3ikk h PRO 49 Ca 0.12 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3ikk h PRO 49 Cb 0.78 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3ikk h PRO 49 CO 0.70 0.12 -0.13 -0.09 -0.21 0.00 0.00 178.00 178.39 3ikk h ARG 50 N 0.19 0.00 0.00 1.05 9.65 -1.98 -3.03 114.38 120.26 3ikk h ARG 50 Ca 0.43 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 59.12 3ikk h ARG 50 Cb 0.76 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.30 3ikk h ARG 50 CO -0.58 0.13 -1.43 0.00 2.80 0.00 0.00 179.97 180.89 3ikk h ARG 51 N 0.00 0.00 -5.64 0.20 2.47 -1.62 -3.48 114.38 106.31 3ikk h ARG 51 Ca -0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3ikk h ARG 51 Cb 0.63 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.82 3ikk h ARG 51 CO 0.02 0.32 -0.64 0.71 0.56 0.00 0.00 179.97 180.94 3ikk s TYR 52 N -2.88 2.27 -0.10 3.04 2.02 -0.60 -1.99 117.35 119.11 3ikk s TYR 52 Ca -0.03 -0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 55.93 3ikk s TYR 52 Cb 0.09 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 3ikk s TYR 52 CO 0.81 0.39 0.25 0.00 -1.57 0.00 0.00 175.55 175.43 3ikk s VAL 54 N 0.53 2.79 -0.21 0.00 1.01 -1.26 -1.81 120.40 121.46 3ikk s VAL 54 Ca -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3ikk s VAL 54 Cb -0.05 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.21 3ikk s VAL 54 CO -0.03 0.51 0.03 -0.13 0.00 0.00 0.00 175.10 175.48 3ikk s ARG 55 N 0.75 0.77 0.33 2.72 1.81 -0.39 -2.22 118.95 122.71 3ikk s ARG 55 Ca -0.06 -0.53 -0.19 0.00 -1.72 0.00 0.00 55.73 53.23 3ikk s ARG 55 Cb -0.15 -2.15 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 3ikk s ARG 55 CO 0.01 -0.66 0.81 -1.25 -0.68 0.00 0.00 175.30 173.53 3ikk s PRO 56 N 1.79 4.18 0.04 3.54 0.05 -1.26 -0.28 135.00 143.06 3ikk s PRO 56 Ca -0.01 0.89 -0.10 0.00 0.05 0.00 0.00 61.00 61.84 3ikk s PRO 56 Cb -0.17 -2.51 -0.32 0.00 0.05 0.00 0.00 34.50 31.55 3ikk s PRO 56 CO -0.09 0.18 1.02 -2.95 0.05 0.00 0.00 177.00 175.21 3ikk h ASN 57 N 2.53 0.62 -3.02 6.66 7.08 -1.77 -3.44 115.58 124.24 3ikk h ASN 57 Ca -0.48 -0.69 -0.13 0.00 -3.08 0.00 0.00 56.30 51.92 3ikk h ASN 57 Cb 1.18 -0.20 -0.03 0.00 -2.08 0.00 0.00 38.32 37.19 3ikk h ASN 57 CO 0.64 1.55 -0.11 -1.54 -2.08 0.00 0.00 177.43 175.89 3ikk n SER 58 N -3.61 0.90 0.00 6.14 3.41 -1.26 0.23 113.62 119.43 3ikk n SER 58 Ca -0.14 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3ikk n SER 58 Cb 1.07 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 3ikk n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ikk n GLY 59 N 1.43 2.52 3.26 5.00 0.00 -0.84 -4.93 105.19 111.64 3ikk n GLY 59 Ca -0.01 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.80 2.88 -0.42 -0.61 1.09 -1.26 0.10 121.20 121.17 3ikk s ILE 60 Ca 0.00 -0.67 -0.16 0.00 -1.10 0.00 0.00 60.65 58.71 3ikk s ILE 60 Cb 0.00 -2.26 0.02 0.00 -1.06 0.00 0.00 42.46 39.16 3ikk s ILE 60 CO 0.00 0.48 0.39 -0.63 -0.10 0.00 0.00 174.94 175.08 3ikk s ILE 61 N 1.18 5.15 1.01 2.92 1.01 -0.59 -4.89 121.20 126.99 3ikk s ILE 61 Ca 0.02 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 3ikk s ILE 61 Cb -0.14 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3ikk s ILE 61 CO -0.04 -0.40 -0.64 0.47 0.00 0.00 0.00 174.94 174.33 3ikk n ASP 62 N 5.44 -3.85 -4.67 3.58 8.00 -1.26 -1.83 116.55 121.96 3ikk n ASP 62 Ca -0.09 0.11 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 3ikk n ASP 62 Cb 0.47 -0.81 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.12 3.59 0.00 2.24 0.00 -1.26 -2.67 121.76 121.54 3ikk s ALA 63 Ca 0.45 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3ikk s ALA 63 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3ikk s ALA 63 CO 0.73 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3ikk n GLY 64 N 3.50 0.68 3.83 0.00 0.00 0.33 -4.96 105.19 108.58 3ikk n GLY 64 Ca 0.13 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 3.74 0.02 4.61 0.00 -1.09 -4.78 121.76 122.27 3ikk s ALA 65 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.40 3ikk s ALA 65 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3ikk s ALA 65 CO 0.00 0.08 -0.15 -1.12 0.00 0.00 0.00 175.76 174.57 3ikk s SER 66 N -3.94 1.72 0.03 0.00 0.01 -1.26 0.28 113.70 110.54 3ikk s SER 66 Ca 0.38 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.28 3ikk s SER 66 Cb -0.06 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 3ikk s SER 66 CO 0.26 0.09 -0.10 0.27 0.41 0.00 0.00 173.24 174.17 3ikk s ILE 67 N -0.68 0.73 -0.27 1.44 -4.36 0.37 -4.99 121.20 113.43 3ikk s ILE 67 Ca 0.03 -0.85 -0.15 0.00 -0.26 0.00 0.00 60.65 59.42 3ikk s ILE 67 Cb -0.07 -0.70 -0.03 0.00 1.25 0.00 0.00 42.46 42.90 3ikk s ILE 67 CO 0.01 -0.12 0.40 0.20 0.24 0.00 0.00 174.94 175.67 3ikk s ASN 68 N -1.07 6.28 -0.21 4.36 0.01 -1.26 -1.40 114.94 121.66 3ikk s ASN 68 Ca -0.03 0.29 -0.14 0.00 -0.71 0.00 0.00 52.86 52.27 3ikk s ASN 68 Cb -0.07 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3ikk s ASN 68 CO 0.01 -0.22 0.34 -0.69 -1.51 0.00 0.00 177.10 175.03 3ikk s VAL 69 N 2.12 5.24 -0.31 1.60 1.01 0.38 -4.58 120.40 125.86 3ikk s VAL 69 Ca 0.16 0.57 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 3ikk s VAL 69 Cb -0.16 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3ikk s VAL 69 CO 0.10 0.28 0.90 -0.44 0.00 0.00 0.00 175.10 175.94 3ikk s SER 70 N 1.03 6.77 -0.24 3.32 0.01 0.62 -0.69 113.70 124.51 3ikk s SER 70 Ca 0.16 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 58.14 3ikk s SER 70 Cb -0.14 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3ikk s SER 70 CO 0.07 -0.72 0.10 -0.69 0.41 0.00 0.00 173.24 172.41 3ikk s VAL 71 N 3.23 4.71 -0.11 3.43 1.01 -0.23 -1.27 120.40 131.16 3ikk s VAL 71 Ca 0.37 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3ikk s VAL 71 Cb -0.13 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3ikk s VAL 71 CO 0.14 0.34 -0.16 -0.04 0.00 0.00 0.00 175.10 175.38 3ikk s MET 72 N 1.40 2.27 -0.13 2.72 -1.94 -0.75 -0.24 119.30 122.63 3ikk s MET 72 Ca 0.06 -0.58 -0.05 0.00 -1.71 0.00 0.00 55.69 53.41 3ikk s MET 72 Cb -0.15 -1.94 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 3ikk s MET 72 CO 0.05 -0.08 0.06 -1.17 -0.01 0.00 0.00 175.02 173.88 3ikk s LEU 73 N 1.02 3.89 0.58 -0.03 2.96 0.33 -1.68 118.68 125.74 3ikk s LEU 73 Ca -0.06 0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 53.92 3ikk s LEU 73 Cb -0.15 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3ikk s LEU 73 CO -0.02 0.31 1.02 -1.10 -1.32 0.00 0.00 176.35 175.23 3ikk s GLN 74 N -0.43 3.65 0.61 1.98 -1.52 -0.84 -1.88 119.66 121.24 3ikk s GLN 74 Ca 0.10 0.92 -0.19 0.00 -1.95 0.00 0.00 55.36 54.24 3ikk s GLN 74 Cb -0.12 -2.09 -0.02 0.00 -0.22 0.00 0.00 33.01 30.56 3ikk s GLN 74 CO 0.02 -0.52 1.31 -2.14 -0.25 0.00 0.00 175.29 173.71 3ikk s PRO 75 N -4.52 2.76 0.27 2.91 0.02 -1.25 -4.82 135.00 130.37 3ikk s PRO 75 Ca 0.58 2.11 -0.20 0.00 0.02 0.00 0.00 61.00 63.52 3ikk s PRO 75 Cb -0.11 -1.98 0.06 0.00 0.02 0.00 0.00 34.50 32.49 3ikk s PRO 75 CO 0.42 -1.45 0.92 -0.59 -0.33 0.00 0.00 177.00 175.96 3ikk s PHE 76 N -1.37 0.07 -0.39 6.54 -0.12 0.67 -5.02 117.98 118.35 3ikk s PHE 76 Ca 0.79 -0.59 -0.19 0.00 -0.05 0.00 0.00 56.93 56.89 3ikk s PHE 76 Cb -0.38 0.76 0.01 0.00 -0.63 0.00 0.00 43.02 42.78 3ikk s PHE 76 CO 0.42 -1.21 0.58 -0.51 -0.05 0.00 0.00 175.22 174.45 3ikk s ASP 77 N -3.22 6.33 1.18 1.98 1.01 -1.26 -4.35 116.67 118.34 3ikk s ASP 77 Ca 0.18 -0.19 -0.11 0.00 0.71 0.00 0.00 52.55 53.15 3ikk s ASP 77 Cb -0.04 -2.29 0.16 0.00 1.01 0.00 0.00 42.92 41.76 3ikk s ASP 77 CO 0.08 -0.63 0.44 0.00 0.21 0.00 0.00 175.17 175.27 3ikk n TYR 78 N 5.99 -3.06 -2.45 4.23 9.36 -1.26 -5.02 117.16 124.95 3ikk n TYR 78 Ca -0.03 -0.41 -0.02 0.00 3.32 0.00 0.00 57.90 60.76 3ikk n TYR 78 Cb 0.48 -0.55 0.06 0.00 -0.63 0.00 0.00 39.34 38.69 3ikk n TYR 78 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3ikk n ASP 79 N -4.13 -0.87 0.00 2.98 -0.08 -1.26 -5.09 116.55 108.10 3ikk n ASP 79 Ca 0.07 -1.67 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 3ikk n ASP 79 Cb 0.27 0.39 0.00 0.00 2.34 0.00 0.00 41.12 44.12 3ikk n ASP 79 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3ikk n PRO 80 N -0.79 0.00 0.25 -0.67 -0.02 -1.26 -0.95 135.00 131.57 3ikk n PRO 80 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3ikk n PRO 80 Cb 0.70 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.84 3ikk n PRO 80 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 3ikk h ASN 81 N 0.00 0.00 -2.20 2.55 -0.00 -2.05 -3.44 115.58 110.43 3ikk h ASN 81 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.72 3ikk h ASN 81 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 38.32 38.52 3ikk h ASN 81 CO 0.00 0.15 -1.25 -1.84 -0.00 0.00 0.00 177.43 174.49 3ikk n GLU 82 N -3.52 0.05 -4.28 4.14 0.28 -0.12 -5.00 120.64 112.18 3ikk n GLU 82 Ca -0.01 0.02 -0.31 0.00 -0.16 0.00 0.00 57.16 56.70 3ikk n GLU 82 Cb 0.29 -1.14 -0.09 0.00 1.43 0.00 0.00 31.44 31.93 3ikk n GLU 82 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3ikk s LYS 83 N -1.61 2.42 -0.27 3.44 3.01 -1.26 -5.03 119.74 120.44 3ikk s LYS 83 Ca 0.53 -0.85 -0.22 0.00 -1.01 0.00 0.00 55.97 54.42 3ikk s LYS 83 Cb -0.37 -2.45 -0.01 0.00 -1.01 0.00 0.00 37.83 33.98 3ikk s LYS 83 CO 0.70 0.55 0.70 0.45 0.51 0.00 0.00 175.35 178.27 3ikk s SER 84 N -1.94 6.64 -0.24 2.83 0.15 -1.26 -4.91 113.70 114.97 3ikk s SER 84 Ca 0.21 0.74 0.13 0.00 0.70 0.00 0.00 55.95 57.73 3ikk s SER 84 Cb -0.11 -2.37 0.53 0.00 -1.71 0.00 0.00 66.02 62.36 3ikk s SER 84 CO 0.13 -0.46 1.47 0.29 1.20 0.00 0.00 173.24 175.87 3ikk n LYS 85 N 5.88 2.49 -2.89 5.44 5.02 -1.26 -4.55 118.16 128.29 3ikk n LYS 85 Ca 0.01 -2.98 -0.39 0.00 -2.02 0.00 0.00 58.31 52.93 3ikk n LYS 85 Cb 0.48 -1.86 -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 -3.01 3.87 0.07 2.13 3.76 -1.26 -5.00 115.29 115.85 3ikk s HIS 86 Ca 0.44 1.72 0.09 0.00 -0.15 0.00 0.00 55.06 57.17 3ikk s HIS 86 Cb 0.37 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.19 3ikk s HIS 86 CO 0.06 0.43 -0.26 0.15 -0.85 0.00 0.00 174.74 174.27 3ikk s LYS 87 N -1.40 1.64 0.09 1.40 -0.14 -1.26 -2.36 119.74 117.69 3ikk s LYS 87 Ca 0.41 -1.15 0.10 0.00 -1.36 0.00 0.00 55.97 53.97 3ikk s LYS 87 Cb -0.23 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.01 3ikk s LYS 87 CO 0.27 0.48 -0.25 -0.06 -0.76 0.00 0.00 175.35 175.02 3ikk s PHE 88 N -0.87 2.36 0.01 3.18 0.08 -0.54 -1.89 117.98 120.29 3ikk s PHE 88 Ca 0.12 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.81 3ikk s PHE 88 Cb -0.10 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3ikk s PHE 88 CO 0.03 0.25 -0.05 0.00 -0.10 0.00 0.00 175.22 175.35 3ikk s MET 89 N -1.67 0.37 -0.20 0.44 0.23 -0.35 0.68 119.30 118.80 3ikk s MET 89 Ca 0.13 -0.30 -0.01 0.00 -1.03 0.00 0.00 55.69 54.48 3ikk s MET 89 Cb -0.10 -0.29 0.01 0.00 -1.53 0.00 0.00 34.83 32.91 3ikk s MET 89 CO 0.05 0.07 -0.12 0.08 -2.03 0.00 0.00 175.02 173.07 3ikk s VAL 90 N -0.44 2.71 -0.22 5.16 1.01 -0.30 -0.66 120.40 127.66 3ikk s VAL 90 Ca -0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3ikk s VAL 90 Cb -0.04 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3ikk s VAL 90 CO -0.00 0.47 0.09 -1.10 0.00 0.00 0.00 175.10 174.57 3ikk s GLN 91 N 1.38 3.92 0.41 2.72 -0.21 -0.61 -2.14 119.66 125.14 3ikk s GLN 91 Ca 0.05 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.11 3ikk s GLN 91 Cb -0.14 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 3ikk s GLN 91 CO -0.08 0.09 0.06 -1.54 -2.12 0.00 0.00 175.29 171.70 3ikk s SER 92 N 0.90 3.16 0.00 5.90 1.04 0.12 0.03 113.70 124.85 3ikk s SER 92 Ca 0.05 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.92 3ikk s SER 92 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3ikk s SER 92 CO 0.03 -0.78 0.00 0.80 0.98 0.00 0.00 173.24 174.27 3ikk n MET 93 N -0.95 0.00 -1.95 4.02 1.56 -0.85 -1.63 117.12 117.31 3ikk n MET 93 Ca -0.08 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.92 3ikk n MET 93 Cb 0.66 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 36.00 3ikk n MET 93 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 3ikk s PHE 94 N 0.00 2.06 -0.50 1.12 0.08 -1.26 0.44 117.98 119.92 3ikk s PHE 94 Ca 0.00 0.17 -0.27 0.00 0.12 0.00 0.00 56.93 56.96 3ikk s PHE 94 Cb 0.00 -3.96 -0.08 0.00 -0.57 0.00 0.00 43.02 38.41 3ikk s PHE 94 CO 0.00 -4.02 2.42 0.00 -0.10 0.00 0.00 175.22 173.52 3ikk n ALA 95 N 6.65 0.85 -1.34 5.36 0.00 0.20 -4.76 120.51 127.46 3ikk n ALA 95 Ca 0.17 -0.81 -0.51 0.00 0.00 0.00 0.00 53.44 52.29 3ikk n ALA 95 Cb 0.42 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.71 3ikk n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ikk n PRO 96 N 8.93 0.00 0.29 0.00 -0.02 -1.26 -4.63 135.00 138.31 3ikk n PRO 96 Ca 0.39 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 3ikk n PRO 96 Cb 0.49 -1.25 0.03 0.00 -0.02 0.00 0.00 33.50 32.75 3ikk n PRO 96 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ikk h THR 97 N 2.28 0.00 0.00 3.45 1.35 -1.97 1.84 112.91 119.86 3ikk h THR 97 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3ikk h THR 97 Cb 1.30 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3ikk h THR 97 CO 0.57 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.31 3ikk n ASP 98 N -2.34 1.11 -3.87 5.36 8.00 -1.26 -5.11 116.55 118.44 3ikk n ASP 98 Ca -0.00 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 3ikk n ASP 98 Cb 0.92 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 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 -0.18 1.60 0.09 -3.53 -2.24 0.63 -4.91 114.28 105.74 3ikk n THR 99 Ca 0.00 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 3ikk n THR 99 Cb 0.18 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.26 3ikk n THR 99 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ikk h SER 100 N 1.04 0.50 0.00 3.42 0.02 -1.99 -3.49 113.55 113.04 3ikk h SER 100 Ca -0.26 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 3ikk h SER 100 Cb 1.26 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3ikk h SER 100 CO 0.51 1.48 0.00 -0.90 -1.14 0.00 0.00 176.83 176.78 3ikk n ASP 101 N -3.54 1.13 -3.03 3.07 3.85 -1.26 -5.07 116.55 111.71 3ikk n ASP 101 Ca -0.14 0.00 -0.15 0.00 -0.71 0.00 0.00 54.79 53.79 3ikk n ASP 101 Cb 1.05 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.83 3ikk n ASP 101 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 3ikk n MET 102 N 0.00 0.97 0.00 0.11 0.00 -1.26 -4.92 117.12 112.02 3ikk n MET 102 Ca 0.00 -2.86 0.00 0.00 -0.00 0.00 0.00 57.70 54.84 3ikk n MET 102 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 31.76 3ikk n MET 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3ikk n GLU 103 N 0.40 0.00 -0.27 2.12 2.13 -1.26 -4.73 120.64 119.03 3ikk n GLU 103 Ca 0.18 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.06 3ikk n GLU 103 Cb 0.67 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.57 3ikk n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ikk n ALA 104 N -2.47 2.61 -0.31 4.31 0.00 -1.26 -4.15 120.51 119.25 3ikk n ALA 104 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 53.44 52.59 3ikk n ALA 104 Cb 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 2.41 1.24 0.46 0.00 2.07 -1.94 -2.95 116.25 117.54 3ikk h VAL 105 Ca 0.00 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3ikk h VAL 105 Cb 0.72 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3ikk h VAL 105 CO 0.06 0.26 -0.22 -0.50 0.02 0.00 0.00 177.57 177.18 3ikk h TRP 106 N 1.15 -0.57 -0.80 1.57 4.06 -1.91 -1.34 115.95 118.10 3ikk h TRP 106 Ca 0.30 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.27 3ikk h TRP 106 Cb -0.01 0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 3ikk h TRP 106 CO 0.00 -0.31 0.51 1.57 -3.56 0.00 0.00 178.44 176.65 3ikk h LYS 107 N -0.72 0.96 -0.23 0.49 2.10 -1.86 -1.19 116.57 116.12 3ikk h LYS 107 Ca -0.06 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3ikk h LYS 107 Cb 0.53 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3ikk h LYS 107 CO 0.10 0.64 0.00 -0.85 -2.00 0.00 0.00 179.45 177.34 3ikk n GLU 108 N -4.60 1.47 -2.47 0.07 0.28 -1.12 -4.87 120.64 109.41 3ikk n GLU 108 Ca 0.10 -0.69 -0.41 0.00 -0.16 0.00 0.00 57.16 55.99 3ikk n GLU 108 Cb 0.09 -1.18 -0.04 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.73 3.39 0.94 -1.84 0.00 -0.45 -5.03 121.76 117.03 3ikk s ALA 109 Ca 0.13 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 3ikk s ALA 109 Cb 0.07 -3.38 0.15 0.00 0.00 0.00 0.00 23.12 19.96 3ikk s ALA 109 CO 0.08 -0.28 1.13 0.15 0.00 0.00 0.00 175.76 176.85 3ikk s LYS 110 N -0.14 0.91 0.35 0.00 3.01 -1.26 -4.94 119.74 117.66 3ikk s LYS 110 Ca 0.51 0.30 0.26 0.00 -1.01 0.00 0.00 55.97 56.04 3ikk s LYS 110 Cb -0.30 -1.81 0.76 0.00 -1.01 0.00 0.00 37.83 35.47 3ikk s LYS 110 CO 0.35 -2.36 1.74 -1.00 0.51 0.00 0.00 175.35 174.59 3ikk h PRO 111 N -1.62 0.00 0.08 -1.68 0.13 -1.96 -3.17 132.00 123.79 3ikk h PRO 111 Ca -0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 3ikk h PRO 111 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.47 3ikk h PRO 111 CO 0.60 0.00 -0.51 0.93 -0.23 0.00 0.00 178.00 178.79 3ikk h GLU 112 N 0.00 0.19 0.00 0.86 4.39 -1.92 -3.24 114.58 114.86 3ikk h GLU 112 Ca 0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3ikk h GLU 112 Cb 0.74 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3ikk h GLU 112 CO 0.00 1.15 0.00 -0.25 -1.16 0.00 0.00 179.01 178.75 3ikk n ASP 113 N -4.31 0.50 -4.80 1.42 8.00 -1.22 -4.35 116.55 111.80 3ikk n ASP 113 Ca -0.12 0.67 -0.38 0.00 0.71 0.00 0.00 54.79 55.67 3ikk n ASP 113 Cb 0.69 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 3ikk n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ikk s LEU 114 N -4.21 4.44 -0.20 0.64 1.43 -1.20 -4.47 118.68 115.10 3ikk s LEU 114 Ca 0.01 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 3ikk s LEU 114 Cb 0.07 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.64 3ikk s LEU 114 CO 0.26 0.23 -0.18 -0.04 0.23 0.00 0.00 176.35 176.86 3ikk s MET 115 N -0.65 2.80 0.17 1.70 -1.94 -0.65 -4.61 119.30 116.11 3ikk s MET 115 Ca 0.25 -0.92 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 3ikk s MET 115 Cb -0.17 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 3ikk s MET 115 CO 0.14 -0.29 0.18 -0.51 -0.01 0.00 0.00 175.02 174.53 3ikk s ASP 116 N 1.26 5.74 -0.24 3.03 1.01 -1.26 -0.70 116.67 125.51 3ikk s ASP 116 Ca 0.02 -0.06 -0.13 0.00 0.71 0.00 0.00 52.55 53.09 3ikk s ASP 116 Cb -0.14 -1.56 0.07 0.00 1.01 0.00 0.00 42.92 42.30 3ikk s ASP 116 CO -0.11 0.05 0.58 -0.44 0.21 0.00 0.00 175.17 175.46 3ikk s SER 117 N -3.21 -0.78 0.07 0.27 0.01 -0.91 -4.61 113.70 104.54 3ikk s SER 117 Ca 0.32 1.27 0.05 0.00 1.31 0.00 0.00 55.95 58.91 3ikk s SER 117 Cb -0.10 1.19 -0.04 0.00 0.21 0.00 0.00 66.02 67.28 3ikk s SER 117 CO 0.25 -0.22 -0.06 -0.75 0.41 0.00 0.00 173.24 172.87 3ikk s LYS 118 N 1.61 2.39 0.06 12.44 2.20 -1.26 -1.15 119.74 136.02 3ikk s LYS 118 Ca -0.10 -0.88 0.07 0.00 -0.36 0.00 0.00 55.97 54.71 3ikk s LYS 118 Cb -0.07 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 3ikk s LYS 118 CO -0.17 0.55 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.65 3ikk s LEU 119 N -2.02 2.19 0.86 5.43 1.02 0.22 -4.85 118.68 121.54 3ikk s LEU 119 Ca 0.22 -0.55 -0.13 0.00 0.02 0.00 0.00 54.13 53.68 3ikk s LEU 119 Cb -0.11 -0.95 0.12 0.00 0.02 0.00 0.00 46.19 45.27 3ikk s LEU 119 CO 0.13 0.14 1.22 -0.13 0.02 0.00 0.00 176.35 177.73 3ikk s ARG 120 N -1.32 1.50 0.07 1.70 3.00 0.08 -1.47 118.95 122.51 3ikk s ARG 120 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 55.73 55.86 3ikk s ARG 120 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 34.95 32.92 3ikk s ARG 120 CO 0.02 -1.89 -0.23 0.00 0.00 0.00 0.00 175.30 173.20 3ikk s VAL 122 N -0.92 0.30 0.38 0.00 1.01 -0.40 -4.58 120.40 116.19 3ikk s VAL 122 Ca 0.09 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3ikk s VAL 122 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 3ikk s VAL 122 CO 0.03 0.04 0.55 -0.36 0.00 0.00 0.00 175.10 175.36 3ikk s PHE 123 N -0.20 3.14 -0.20 5.22 0.08 -1.26 -1.24 117.98 123.52 3ikk s PHE 123 Ca 0.00 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 3ikk s PHE 123 Cb -0.02 -2.12 0.07 0.00 -0.57 0.00 0.00 43.02 40.37 3ikk s PHE 123 CO -0.00 -0.15 0.48 -1.21 -0.10 0.00 0.00 175.22 174.23 3ikk s GLU 124 N -4.32 0.45 0.00 0.44 2.02 0.01 -4.77 118.70 112.53 3ikk s GLU 124 Ca 0.47 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.40 3ikk s GLU 124 Cb -0.10 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.23 3ikk s GLU 124 CO 0.34 -0.17 0.00 1.28 0.02 0.00 0.00 175.26 176.72