#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk s GLN 3 N 0.00 1.39 -0.04 5.31 -0.21 -1.26 -4.86 119.66 119.99 1ibk s GLN 3 Ca 0.00 -0.73 -0.19 0.00 0.02 0.00 0.00 55.36 54.45 1ibk s GLN 3 Cb 0.00 0.50 0.04 0.00 1.00 0.00 0.00 33.01 34.55 1ibk s GLN 3 CO 0.00 -0.63 0.43 0.71 -2.12 0.00 0.00 175.29 173.67 1ibk s TYR 4 N -3.56 -0.35 0.04 0.91 1.51 -1.10 -4.93 117.35 109.87 1ibk s TYR 4 Ca 0.10 0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 56.72 1ibk s TYR 4 Cb -0.03 0.19 -0.02 0.00 -0.11 0.00 0.00 41.96 41.99 1ibk s TYR 4 CO 0.01 -0.44 0.06 -0.47 -1.11 0.00 0.00 175.55 173.61 1ibk s TYR 5 N -1.12 0.26 -0.09 2.71 6.14 -1.25 -1.27 117.35 122.72 1ibk s TYR 5 Ca -0.11 -0.60 -0.24 0.00 0.64 0.00 0.00 57.07 56.75 1ibk s TYR 5 Cb -0.04 -0.18 0.06 0.00 0.42 0.00 0.00 41.96 42.21 1ibk s TYR 5 CO 0.05 -0.35 0.57 0.20 0.64 0.00 0.00 175.55 176.66 1ibk s GLY 6 N -2.20 -0.44 -0.20 8.97 0.00 -1.10 -2.69 107.32 109.66 1ibk s GLY 6 Ca -0.04 1.17 -0.22 0.00 0.00 0.00 0.00 44.72 45.63 1ibk s GLY 6 CO -0.05 0.88 0.28 -0.84 0.00 0.00 0.00 173.10 173.36 1ibk h THR 7 N 3.52 1.01 -4.79 0.90 2.02 -1.83 -0.67 112.91 113.06 1ibk h THR 7 Ca -0.28 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.70 1ibk h THR 7 Cb 1.16 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.89 1ibk h THR 7 CO 0.33 0.35 -1.05 0.61 0.37 0.00 0.00 175.52 176.13 1ibk n GLY 8 N 1.46 -5.15 3.16 2.16 0.00 -1.26 -2.49 105.19 103.07 1ibk n GLY 8 Ca -0.30 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 1ibk n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibk s ARG 9 N -0.56 0.80 -0.30 1.61 0.52 -1.26 -0.30 118.95 119.47 1ibk s ARG 9 Ca -0.07 -1.09 -0.17 0.00 -0.52 0.00 0.00 55.73 53.88 1ibk s ARG 9 Cb 0.00 -0.52 0.18 0.00 0.52 0.00 0.00 34.95 35.14 1ibk s ARG 9 CO 0.20 0.08 1.12 0.50 0.02 0.00 0.00 175.30 177.22 1ibk s ARG 10 N -2.55 0.19 -1.05 3.54 6.06 -0.06 -4.60 118.95 120.47 1ibk s ARG 10 Ca 0.03 0.41 -0.18 0.00 -2.50 0.00 0.00 55.73 53.49 1ibk s ARG 10 Cb -0.04 0.18 0.00 0.00 0.06 0.00 0.00 34.95 35.15 1ibk s ARG 10 CO 0.00 -0.05 0.73 1.17 -2.50 0.00 0.00 175.30 174.65 1ibk n LYS 11 N 4.28 -1.11 -3.50 5.12 4.81 -1.26 -2.71 118.16 123.78 1ibk n LYS 11 Ca -0.11 0.55 -0.19 0.00 -0.87 0.00 0.00 58.31 57.69 1ibk n LYS 11 Cb 0.55 -3.69 0.08 0.00 0.02 0.00 0.00 35.03 31.99 1ibk n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ibk n GLU 12 N -3.80 -6.53 -3.67 1.64 2.13 -1.26 -4.85 120.64 104.30 1ibk n GLU 12 Ca -0.13 0.81 -0.14 0.00 0.66 0.00 0.00 57.16 58.36 1ibk n GLU 12 Cb 0.59 -5.76 -0.08 0.00 0.27 0.00 0.00 31.44 26.46 1ibk n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ibk s ALA 13 N -3.40 -1.36 0.01 4.31 0.00 -1.10 -3.36 121.76 116.85 1ibk s ALA 13 Ca 0.09 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.45 1ibk s ALA 13 Cb -0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1ibk s ALA 13 CO 0.74 -0.28 -0.12 0.08 0.00 0.00 0.00 175.76 176.19 1ibk s VAL 14 N -0.18 0.92 -0.21 0.00 1.01 -1.25 -0.88 120.40 119.81 1ibk s VAL 14 Ca -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1ibk s VAL 14 Cb -0.03 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.62 1ibk s VAL 14 CO 0.03 0.12 0.14 0.00 0.00 0.00 0.00 175.10 175.39 1ibk s ALA 15 N -0.53 0.24 0.01 5.51 0.00 0.59 -2.41 121.76 125.17 1ibk s ALA 15 Ca 0.02 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 1ibk s ALA 15 Cb -0.06 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 1ibk s ALA 15 CO 0.00 -1.30 1.48 1.03 0.00 0.00 0.00 175.76 176.97 1ibk s ARG 16 N 2.19 4.25 -0.30 0.00 0.52 0.15 -4.08 118.95 121.68 1ibk s ARG 16 Ca 0.05 2.06 -0.05 0.00 -0.52 0.00 0.00 55.73 57.27 1ibk s ARG 16 Cb -0.16 -3.62 0.03 0.00 0.52 0.00 0.00 34.95 31.72 1ibk s ARG 16 CO -0.17 -0.64 0.05 0.08 0.02 0.00 0.00 175.30 174.64 1ibk s VAL 17 N 2.62 3.55 -0.37 3.52 1.01 -0.26 -1.28 120.40 129.19 1ibk s VAL 17 Ca 0.67 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1ibk s VAL 17 Cb -0.33 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1ibk s VAL 17 CO 0.28 -0.01 0.18 -0.36 0.00 0.00 0.00 175.10 175.19 1ibk s PHE 18 N 1.40 3.28 0.20 5.22 2.99 0.14 -2.71 117.98 128.50 1ibk s PHE 18 Ca -0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 56.93 55.57 1ibk s PHE 18 Cb -0.18 -2.53 -0.05 0.00 0.00 0.00 0.00 43.02 40.26 1ibk s PHE 18 CO 0.01 -0.74 0.43 -0.51 -0.00 0.00 0.00 175.22 174.41 1ibk s LEU 19 N 1.45 4.20 -0.14 -0.37 1.43 -0.40 0.34 118.68 125.19 1ibk s LEU 19 Ca 0.01 0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 53.43 1ibk s LEU 19 Cb -0.20 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 42.75 1ibk s LEU 19 CO 0.04 -0.05 0.59 -0.13 0.23 0.00 0.00 176.35 177.03 1ibk s ARG 20 N -3.13 0.82 0.01 1.70 0.52 0.61 -2.72 118.95 116.76 1ibk s ARG 20 Ca 0.41 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.81 1ibk s ARG 20 Cb -0.11 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 1ibk s ARG 20 CO 0.27 -0.18 1.20 -2.14 0.02 0.00 0.00 175.30 174.48 1ibk s PRO 21 N -0.42 4.40 0.00 3.54 0.02 -1.26 0.82 135.00 142.10 1ibk s PRO 21 Ca -0.06 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.69 1ibk s PRO 21 Cb -0.03 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1ibk s PRO 21 CO 0.04 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 1ibk n GLY 22 N 3.28 -0.61 0.12 0.52 0.00 -0.83 -4.84 105.19 102.84 1ibk n GLY 22 Ca 0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1ibk n GLY 22 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ibk h ASN 23 N 0.00 -0.55 0.00 1.61 -0.00 -1.77 -3.36 115.58 111.51 1ibk h ASN 23 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1ibk h ASN 23 Cb 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 1ibk h ASN 23 CO 0.00 -0.09 0.00 0.61 -0.00 0.00 0.00 177.43 177.95 1ibk n GLY 24 N -1.09 -0.94 3.90 1.57 0.00 -0.74 -3.79 105.19 104.09 1ibk n GLY 24 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ibk n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibk s LYS 25 N 0.00 2.97 0.04 1.61 -2.85 -1.26 -4.72 119.74 115.54 1ibk s LYS 25 Ca 0.00 0.28 0.03 0.00 -1.00 0.00 0.00 55.97 55.28 1ibk s LYS 25 Cb 0.00 -2.14 -0.02 0.00 -2.06 0.00 0.00 37.83 33.60 1ibk s LYS 25 CO 0.00 -0.82 -0.09 0.08 0.10 0.00 0.00 175.35 174.62 1ibk s VAL 26 N -3.17 0.61 0.02 1.79 1.01 -1.26 -2.38 120.40 117.03 1ibk s VAL 26 Ca 0.56 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1ibk s VAL 26 Cb -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1ibk s VAL 26 CO 0.49 -0.34 -0.25 -0.89 0.00 0.00 0.00 175.10 174.11 1ibk s THR 27 N -1.31 1.98 -0.23 3.92 2.01 -0.88 -0.90 115.64 120.23 1ibk s THR 27 Ca -0.08 -1.22 -0.00 0.00 0.31 0.00 0.00 61.69 60.69 1ibk s THR 27 Cb -0.10 -1.68 0.06 0.00 0.01 0.00 0.00 72.50 70.80 1ibk s THR 27 CO 0.01 0.41 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.63 1ibk s VAL 28 N -0.71 1.22 -1.34 3.82 1.01 0.48 -1.33 120.40 123.55 1ibk s VAL 28 Ca 0.10 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1ibk s VAL 28 Cb -0.10 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ibk s VAL 28 CO 0.01 -0.16 0.45 0.59 0.00 0.00 0.00 175.10 175.99 1ibk n ASN 29 N 4.78 -4.43 0.00 3.32 3.02 -0.98 -0.18 115.26 120.80 1ibk n ASN 29 Ca -0.11 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1ibk n ASN 29 Cb 0.45 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 1ibk n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibk n GLY 30 N -1.22 2.39 3.92 7.41 0.00 -1.26 -5.04 105.19 111.39 1ibk n GLY 30 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1ibk n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ibk s GLN 31 N -0.69 3.55 0.51 1.61 -0.21 0.75 -5.07 119.66 120.11 1ibk s GLN 31 Ca 0.00 -0.25 -0.20 0.00 0.02 0.00 0.00 55.36 54.93 1ibk s GLN 31 Cb 0.00 -2.84 -0.07 0.00 1.00 0.00 0.00 33.01 31.10 1ibk s GLN 31 CO 0.00 0.42 1.09 0.34 -2.12 0.00 0.00 175.29 175.03 1ibk s ASP 32 N -2.89 6.05 0.16 5.90 -1.08 -1.26 0.18 116.67 123.74 1ibk s ASP 32 Ca 0.39 2.09 -0.25 0.00 -0.52 0.00 0.00 52.55 54.25 1ibk s ASP 32 Cb -0.11 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.80 1ibk s ASP 32 CO 0.28 -0.99 1.57 0.15 0.52 0.00 0.00 175.17 176.70 1ibk h PHE 33 N 1.48 -1.20 0.00 -5.34 3.57 -1.35 1.42 116.94 115.52 1ibk h PHE 33 Ca -0.50 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1ibk h PHE 33 Cb 1.24 0.60 0.00 0.00 2.79 0.00 0.00 35.95 40.58 1ibk h PHE 33 CO 0.54 -0.42 0.00 0.09 -2.23 0.00 0.00 178.31 176.29 1ibk n ASN 34 N -5.41 0.00 -0.13 0.41 3.02 -1.26 -2.21 115.26 109.67 1ibk n ASN 34 Ca 0.01 -0.51 -0.29 0.00 -0.03 0.00 0.00 54.58 53.77 1ibk n ASN 34 Cb 0.35 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.42 1ibk n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ibk n GLU 35 N -0.96 0.59 -0.13 3.52 4.07 0.47 -4.26 120.64 123.93 1ibk n GLU 35 Ca 0.11 0.30 -0.09 0.00 -0.06 0.00 0.00 57.16 57.41 1ibk n GLU 35 Cb 0.05 -1.52 -0.01 0.00 -0.06 0.00 0.00 31.44 29.90 1ibk n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1ibk h TYR 36 N -0.96 0.58 -2.15 4.31 3.20 -0.77 -3.18 116.97 118.00 1ibk h TYR 36 Ca -0.66 -0.04 -0.79 0.00 3.14 0.00 0.00 58.73 60.38 1ibk h TYR 36 Cb 1.59 -0.17 -0.23 0.00 1.54 0.00 0.00 36.73 39.46 1ibk h TYR 36 CO -0.06 0.52 1.36 1.19 -1.64 0.00 0.00 178.16 179.53 1ibk n PHE 37 N -4.66 2.56 -2.23 -3.82 0.99 -0.94 -5.00 117.46 104.36 1ibk n PHE 37 Ca -0.00 -2.65 -0.43 0.00 -0.00 0.00 0.00 57.45 54.37 1ibk n PHE 37 Cb 0.14 -1.47 -0.02 0.00 -1.00 0.00 0.00 39.48 37.13 1ibk n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1ibk s GLN 38 N -2.29 4.06 -0.73 -1.08 -0.44 -1.20 -4.09 119.66 113.89 1ibk s GLN 38 Ca 0.38 1.74 -0.08 0.00 -2.50 0.00 0.00 55.36 54.91 1ibk s GLN 38 Cb 0.12 -3.91 0.01 0.00 -1.64 0.00 0.00 33.01 27.59 1ibk s GLN 38 CO -0.00 -0.96 0.63 0.41 0.50 0.00 0.00 175.29 175.87 1ibk n GLY 39 N 4.12 -1.04 2.51 2.59 0.00 -1.26 -4.97 105.19 107.14 1ibk n GLY 39 Ca 0.16 0.71 -0.26 0.00 0.00 0.00 0.00 46.02 46.64 1ibk n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibk s LEU 40 N -4.30 0.79 0.11 0.99 1.43 -1.26 -5.03 118.68 111.41 1ibk s LEU 40 Ca 0.08 -2.18 -0.04 0.00 -1.03 0.00 0.00 54.13 50.95 1ibk s LEU 40 Cb -0.01 -0.18 0.18 0.00 0.03 0.00 0.00 46.19 46.20 1ibk s LEU 40 CO 0.87 -0.28 0.66 0.52 0.23 0.00 0.00 176.35 178.35 1ibk n VAL 41 N 3.91 -0.19 -0.31 -1.59 0.31 -1.26 0.15 118.33 119.35 1ibk n VAL 41 Ca 0.14 0.97 0.13 0.00 -0.01 0.00 0.00 64.34 65.58 1ibk n VAL 41 Cb 0.40 -1.34 0.29 0.00 -0.91 0.00 0.00 33.84 32.28 1ibk n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibk h ARG 42 N 0.00 0.10 0.00 5.55 2.47 -2.00 -3.19 114.38 117.31 1ibk h ARG 42 Ca 0.19 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1ibk h ARG 42 Cb 0.30 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1ibk h ARG 42 CO -0.43 0.06 0.00 0.00 0.56 0.00 0.00 179.97 180.16 1ibk n ALA 43 N -2.89 0.00 -0.02 0.04 0.00 0.39 -0.55 120.51 117.49 1ibk n ALA 43 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ibk n ALA 43 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.16 1ibk n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibk n VAL 44 N -1.57 -0.03 0.00 0.00 0.31 -1.21 -1.94 118.33 113.90 1ibk n VAL 44 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 64.34 64.98 1ibk n VAL 44 Cb 0.00 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1ibk n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibk n ALA 45 N -2.53 0.00 -0.19 3.52 0.00 0.29 -1.37 120.51 120.23 1ibk n ALA 45 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ibk n ALA 45 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 1ibk n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibk n ALA 46 N -1.34 -0.17 1.31 0.00 0.00 -0.82 0.23 120.51 119.73 1ibk n ALA 46 Ca 0.00 0.44 0.12 0.00 0.00 0.00 0.00 53.44 54.00 1ibk n ALA 46 Cb 0.00 -0.14 0.66 0.00 0.00 0.00 0.00 19.45 19.97 1ibk n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibk n LEU 47 N -4.65 0.00 -0.24 0.00 4.77 -0.47 -4.08 117.00 112.32 1ibk n LEU 47 Ca 0.03 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1ibk n LEU 47 Cb 0.16 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1ibk n LEU 47 CO -0.07 -0.04 0.63 -0.08 -1.33 0.00 0.00 177.39 176.51 1ibk h GLU 48 N 0.00 -0.11 -1.07 3.23 4.57 0.28 0.31 114.58 121.79 1ibk h GLU 48 Ca 0.00 0.01 0.30 0.00 -1.18 0.00 0.00 59.36 58.48 1ibk h GLU 48 Cb 0.14 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.64 1ibk h GLU 48 CO 0.00 -0.07 0.68 -1.00 -1.18 0.00 0.00 179.01 177.43 1ibk h PRO 49 N -0.11 0.36 0.61 0.92 0.13 -1.76 -0.34 132.00 131.81 1ibk h PRO 49 Ca 0.27 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1ibk h PRO 49 Cb 0.56 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1ibk h PRO 49 CO -0.75 0.24 -0.40 -0.07 -0.23 0.00 0.00 178.00 176.79 1ibk h LEU 50 N 0.37 -1.03 -1.35 1.56 3.38 -1.24 -1.58 115.31 115.42 1ibk h LEU 50 Ca 0.65 0.06 0.40 0.00 0.09 0.00 0.00 57.88 59.08 1ibk h LEU 50 Cb 1.65 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 42.58 1ibk h LEU 50 CO -0.38 -0.60 0.78 0.03 0.09 0.00 0.00 178.44 178.36 1ibk h ARG 51 N -0.95 0.14 -0.41 1.13 3.08 -1.03 0.93 114.38 117.28 1ibk h ARG 51 Ca -0.08 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.04 1ibk h ARG 51 Cb 0.77 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 1ibk h ARG 51 CO 0.06 0.09 -0.12 0.00 -1.07 0.00 0.00 179.97 178.94 1ibk h ALA 52 N 1.64 0.24 -0.62 0.04 0.00 -0.48 -2.49 119.26 117.61 1ibk h ALA 52 Ca 0.78 0.16 -0.28 0.00 0.00 0.00 0.00 54.91 55.57 1ibk h ALA 52 Cb 2.32 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 20.28 1ibk h ALA 52 CO -0.43 -0.47 0.23 1.33 0.00 0.00 0.00 179.25 179.90 1ibk n VAL 53 N -5.32 2.81 -3.58 0.00 0.24 0.17 -4.93 118.33 107.72 1ibk n VAL 53 Ca 0.02 -2.22 -0.23 0.00 -2.04 0.00 0.00 64.34 59.87 1ibk n VAL 53 Cb 0.23 -0.37 0.08 0.00 -1.47 0.00 0.00 33.84 32.31 1ibk n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ibk n ASP 54 N -0.92 -6.28 0.00 -1.34 8.00 -0.94 -5.00 116.55 110.06 1ibk n ASP 54 Ca 0.42 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1ibk n ASP 54 Cb 1.29 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1ibk n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibk n ALA 55 N -4.96 0.00 -0.78 2.24 0.00 -0.32 -4.62 120.51 112.07 1ibk n ALA 55 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ibk n ALA 55 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1ibk n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibk n LEU 56 N 0.00 0.00 -0.45 0.00 4.77 -1.26 -3.30 117.00 116.76 1ibk n LEU 56 Ca 0.00 0.00 0.38 0.00 -0.03 0.00 0.00 56.01 56.36 1ibk n LEU 56 Cb 0.00 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 1ibk n LEU 56 CO 0.00 0.00 1.22 1.23 -1.33 0.00 0.00 177.39 178.51 1ibk h GLY 57 N 0.00 1.38 0.63 -0.72 0.00 -1.85 0.23 103.07 102.75 1ibk h GLY 57 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1ibk h GLY 57 CO 0.00 -0.45 -0.05 3.21 0.00 0.00 0.00 176.54 179.25 1ibk h ARG 58 N 0.06 -0.14 0.00 4.80 2.47 -1.73 -3.40 114.38 116.43 1ibk h ARG 58 Ca 0.84 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.57 1ibk h ARG 58 Cb 2.64 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.99 1ibk h ARG 58 CO -0.45 0.21 0.00 1.19 0.56 0.00 0.00 179.97 181.48 1ibk n PHE 59 N -4.99 0.00 0.00 3.04 3.01 0.81 -1.96 117.46 117.37 1ibk n PHE 59 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1ibk n PHE 59 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1ibk n PHE 59 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ibk n ASP 60 N 0.00 0.00 -3.60 4.37 -0.08 0.24 -1.79 116.55 115.69 1ibk n ASP 60 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 1ibk n ASP 60 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1ibk n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ibk s ALA 61 N -2.00 -1.60 -0.28 -1.67 0.00 -1.00 -0.28 121.76 114.93 1ibk s ALA 61 Ca 0.00 1.41 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 1ibk s ALA 61 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1ibk s ALA 61 CO 0.00 -0.33 0.16 -0.47 0.00 0.00 0.00 175.76 175.12 1ibk s TYR 62 N -0.62 3.19 -0.07 0.00 5.04 0.15 -2.07 117.35 122.97 1ibk s TYR 62 Ca -0.07 -0.05 0.05 0.00 -2.44 0.00 0.00 57.07 54.56 1ibk s TYR 62 Cb -0.02 -2.35 -0.00 0.00 0.35 0.00 0.00 41.96 39.93 1ibk s TYR 62 CO 0.06 -0.23 -0.23 0.42 -1.34 0.00 0.00 175.55 174.23 1ibk s ILE 63 N 1.72 1.94 -0.37 3.14 1.01 -0.44 -0.69 121.20 127.51 1ibk s ILE 63 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1ibk s ILE 63 Cb -0.16 -1.66 0.10 0.00 0.01 0.00 0.00 42.46 40.75 1ibk s ILE 63 CO 0.09 0.54 0.12 -0.89 0.00 0.00 0.00 174.94 174.80 1ibk s THR 64 N 0.09 2.81 -0.20 2.92 2.01 -0.41 -2.31 115.64 120.55 1ibk s THR 64 Ca -0.10 -2.14 0.01 0.00 0.31 0.00 0.00 61.69 59.77 1ibk s THR 64 Cb -0.15 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.42 1ibk s THR 64 CO 0.06 -0.61 -0.17 0.54 -0.69 0.00 0.00 174.62 173.74 1ibk s VAL 65 N 1.04 2.04 -0.05 3.82 0.11 -1.26 0.31 120.40 126.41 1ibk s VAL 65 Ca 0.08 -1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1ibk s VAL 65 Cb -0.21 -1.93 0.03 0.00 -1.53 0.00 0.00 36.38 32.74 1ibk s VAL 65 CO -0.06 0.39 0.12 -0.60 -3.33 0.00 0.00 175.10 171.62 1ibk s ARG 66 N 1.26 0.09 0.00 1.54 3.00 -1.01 -4.93 118.95 118.90 1ibk s ARG 66 Ca 0.02 0.27 0.00 0.00 -1.00 0.00 0.00 55.73 55.01 1ibk s ARG 66 Cb -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 34.95 34.70 1ibk s ARG 66 CO -0.11 -0.11 0.00 0.41 0.00 0.00 0.00 175.30 175.49 1ibk n GLY 67 N 3.76 1.79 0.00 8.12 0.00 -1.26 -3.88 105.19 113.71 1ibk n GLY 67 Ca -0.21 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1ibk n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 68 N 2.67 0.54 3.31 -0.02 0.00 -1.21 -4.04 105.19 106.44 1ibk n GLY 68 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1ibk n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ibk s GLY 69 N 0.00 -0.28 0.22 -0.02 0.00 -1.26 -5.03 107.32 100.95 1ibk s GLY 69 Ca 0.00 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.60 1ibk s GLY 69 CO 0.00 0.63 1.09 0.28 0.00 0.00 0.00 173.10 175.10 1ibk n LYS 70 N 1.91 -0.05 -0.01 2.90 4.76 -1.26 0.90 118.16 127.32 1ibk n LYS 70 Ca -0.18 1.02 -0.12 0.00 -2.87 0.00 0.00 58.31 56.17 1ibk n LYS 70 Cb 0.57 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 32.01 1ibk n LYS 70 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ibk h SER 71 N 0.00 0.08 -0.55 4.39 0.87 -1.99 0.31 113.55 116.67 1ibk h SER 71 Ca 0.46 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1ibk h SER 71 Cb 1.01 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1ibk h SER 71 CO -0.63 0.29 0.36 1.23 -0.53 0.00 0.00 176.83 177.55 1ibk h GLY 72 N -0.13 0.77 0.56 5.77 0.00 0.20 -2.06 103.07 108.18 1ibk h GLY 72 Ca 0.02 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.13 1ibk h GLY 72 CO 0.00 0.28 0.31 1.46 0.00 0.00 0.00 176.54 178.59 1ibk h GLN 73 N 0.74 0.54 -0.97 4.80 4.20 -0.69 0.76 115.11 124.49 1ibk h GLN 73 Ca 0.20 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.96 1ibk h GLN 73 Cb -0.08 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.51 1ibk h GLN 73 CO -0.05 0.36 0.63 0.82 -0.67 0.00 0.00 178.83 179.92 1ibk h ILE 74 N 0.56 1.03 -0.10 2.54 2.04 -0.27 0.22 117.51 123.52 1ibk h ILE 74 Ca 0.30 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1ibk h ILE 74 Cb 0.27 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1ibk h ILE 74 CO -0.23 0.20 -0.10 0.44 0.00 0.00 0.00 178.15 178.46 1ibk h ASP 75 N 1.07 0.27 0.52 1.72 3.32 -0.59 -0.65 116.42 122.06 1ibk h ASP 75 Ca 0.44 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1ibk h ASP 75 Cb 0.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1ibk h ASP 75 CO -0.19 0.69 -0.42 0.00 -1.72 0.00 0.00 179.24 177.60 1ibk h ALA 76 N 0.58 -0.98 -0.86 3.45 0.00 -0.22 0.14 119.26 121.36 1ibk h ALA 76 Ca 0.02 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.98 1ibk h ALA 76 Cb 0.62 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1ibk h ALA 76 CO 0.02 -1.08 0.25 0.82 0.00 0.00 0.00 179.25 179.26 1ibk h ILE 77 N -0.92 0.36 -0.65 0.00 2.04 -0.64 0.99 117.51 118.68 1ibk h ILE 77 Ca -0.06 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1ibk h ILE 77 Cb 0.79 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1ibk h ILE 77 CO -0.01 0.04 0.39 0.50 0.00 0.00 0.00 178.15 179.07 1ibk h LYS 78 N 0.24 0.72 0.32 2.37 3.11 0.18 -1.00 116.57 122.51 1ibk h LYS 78 Ca 0.54 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 58.32 1ibk h LYS 78 Cb 1.06 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1ibk h LYS 78 CO -0.62 0.48 -0.15 1.25 -2.81 0.00 0.00 179.45 177.59 1ibk h LEU 79 N 0.74 -0.36 -0.25 5.20 7.12 0.35 -2.13 115.31 125.99 1ibk h LEU 79 Ca 0.27 -0.13 0.03 0.00 0.13 0.00 0.00 57.88 58.19 1ibk h LEU 79 Cb 0.09 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.25 1ibk h LEU 79 CO -0.14 -0.07 -0.45 1.23 -0.13 0.00 0.00 178.44 178.89 1ibk h GLY 80 N -0.67 -1.19 -0.49 3.75 0.00 -0.18 0.45 103.07 104.74 1ibk h GLY 80 Ca -0.04 0.72 0.32 0.00 0.00 0.00 0.00 47.33 48.32 1ibk h GLY 80 CO 0.07 -0.25 0.61 -2.22 0.00 0.00 0.00 176.54 174.75 1ibk h ILE 81 N -0.38 0.33 0.69 2.60 2.04 -1.21 0.81 117.51 122.39 1ibk h ILE 81 Ca 0.05 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1ibk h ILE 81 Cb 0.51 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ibk h ILE 81 CO -0.43 0.06 -0.33 0.00 0.00 0.00 0.00 178.15 177.45 1ibk h ALA 82 N 1.79 -0.92 0.74 1.87 0.00 0.33 -0.77 119.26 122.30 1ibk h ALA 82 Ca 0.72 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1ibk h ALA 82 Cb 1.68 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1ibk h ALA 82 CO -0.55 -0.92 -0.50 0.00 0.00 0.00 0.00 179.25 177.28 1ibk h ARG 83 N -1.11 -1.13 -1.04 0.00 3.08 0.29 -2.26 114.38 112.21 1ibk h ARG 83 Ca -0.09 0.08 0.27 0.00 0.07 0.00 0.00 59.98 60.30 1ibk h ARG 83 Cb 0.74 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 30.94 1ibk h ARG 83 CO 0.15 -0.75 0.65 0.00 -1.07 0.00 0.00 179.97 178.95 1ibk h ALA 84 N -1.09 2.09 -0.89 0.04 0.00 0.67 0.58 119.26 120.66 1ibk h ALA 84 Ca -0.10 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ibk h ALA 84 Cb 0.95 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1ibk h ALA 84 CO 0.07 -0.53 0.59 -0.07 0.00 0.00 0.00 179.25 179.31 1ibk h LEU 85 N 0.45 1.01 -1.35 0.00 4.07 -0.57 -0.13 115.31 118.80 1ibk h LEU 85 Ca 0.63 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.51 1ibk h LEU 85 Cb 1.46 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1ibk h LEU 85 CO -0.37 0.72 -0.27 0.58 -1.08 0.00 0.00 178.44 178.02 1ibk h VAL 86 N 1.19 0.84 0.64 1.22 2.07 0.56 -2.70 116.25 120.07 1ibk h VAL 86 Ca 0.33 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ibk h VAL 86 Cb -0.11 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ibk h VAL 86 CO -0.08 0.27 -0.49 1.56 0.02 0.00 0.00 177.57 178.85 1ibk h GLN 87 N 0.00 -1.04 0.00 1.57 1.08 -0.07 -3.04 115.11 113.61 1ibk h GLN 87 Ca -0.00 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1ibk h GLN 87 Cb 0.64 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1ibk h GLN 87 CO 0.04 -0.69 0.00 0.98 -0.95 0.00 0.00 178.83 178.20 1ibk n TYR 88 N -5.46 0.00 -3.97 2.96 9.36 -0.97 -4.40 117.16 114.69 1ibk n TYR 88 Ca -0.13 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.74 1ibk n TYR 88 Cb 0.47 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.06 1ibk n TYR 88 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ibk s ASN 89 N -2.73 5.20 0.13 2.98 3.84 -1.04 -4.99 114.94 118.33 1ibk s ASN 89 Ca 0.00 -0.11 -0.13 0.00 0.21 0.00 0.00 52.86 52.84 1ibk s ASN 89 Cb 0.00 -1.90 -0.04 0.00 -0.55 0.00 0.00 41.25 38.76 1ibk s ASN 89 CO 0.00 0.07 1.50 1.55 -2.79 0.00 0.00 177.10 177.43 1ibk h PRO 90 N 7.46 0.84 0.00 0.43 0.13 -1.74 -3.05 132.00 136.08 1ibk h PRO 90 Ca -0.36 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1ibk h PRO 90 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ibk h PRO 90 CO 0.62 1.02 0.03 -0.25 -0.23 0.00 0.00 178.00 179.20 1ibk n ASP 91 N -4.22 0.00 0.26 1.44 9.92 -1.26 -1.58 116.55 121.11 1ibk n ASP 91 Ca -0.02 0.10 0.16 0.00 -0.53 0.00 0.00 54.79 54.50 1ibk n ASP 91 Cb 0.44 -0.10 0.58 0.00 -0.64 0.00 0.00 41.12 41.41 1ibk n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1ibk h TYR 92 N 0.00 0.00 -0.31 1.24 0.99 -1.87 -2.82 116.97 114.20 1ibk h TYR 92 Ca 0.00 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.77 1ibk h TYR 92 Cb 0.07 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.76 1ibk h TYR 92 CO 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 178.16 178.25 1ibk h ARG 93 N 0.00 0.18 0.00 4.88 3.08 -1.56 0.92 114.38 121.88 1ibk h ARG 93 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ibk h ARG 93 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ibk h ARG 93 CO 0.00 0.12 0.19 0.00 -1.07 0.00 0.00 179.97 179.21 1ibk h ALA 94 N 1.22 1.16 -1.23 0.04 0.00 -1.74 -2.17 119.26 116.55 1ibk h ALA 94 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ibk h ALA 94 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ibk h ALA 94 CO -0.18 -0.16 0.00 1.63 0.00 0.00 0.00 179.25 180.53 1ibk n LYS 95 N -2.53 0.00 -0.35 0.00 4.76 0.25 -4.63 118.16 115.66 1ibk n LYS 95 Ca -0.02 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.44 1ibk n LYS 95 Cb 0.23 -0.29 0.15 0.00 -1.84 0.00 0.00 35.03 33.29 1ibk n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1ibk h LEU 96 N 0.00 0.98 -0.51 -0.35 4.07 0.43 -3.19 115.31 116.75 1ibk h LEU 96 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1ibk h LEU 96 Cb 0.00 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1ibk h LEU 96 CO 0.00 0.64 0.26 0.11 -1.08 0.00 0.00 178.44 178.38 1ibk h LYS 97 N 1.13 0.72 0.00 1.13 1.57 -1.54 -2.73 116.57 116.85 1ibk h LYS 97 Ca 0.40 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1ibk h LYS 97 Cb 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ibk h LYS 97 CO -0.16 0.58 0.10 -2.30 -0.57 0.00 0.00 179.45 177.10 1ibk n PRO 98 N -4.63 0.00 -0.00 3.15 -0.02 -1.20 0.16 135.00 132.45 1ibk n PRO 98 Ca 0.02 0.31 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1ibk n PRO 98 Cb 0.10 -1.60 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1ibk n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ibk n LEU 99 N -1.29 1.41 -2.69 2.45 7.99 -1.04 -5.03 117.00 118.80 1ibk n LEU 99 Ca 0.00 -1.03 -0.14 0.00 -0.01 0.00 0.00 56.01 54.83 1ibk n LEU 99 Cb 0.10 -0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.47 1ibk n LEU 99 CO 0.00 0.31 0.12 0.61 -1.51 0.00 0.00 177.39 176.91 1ibk n GLY 100 N 0.25 -0.11 0.10 -0.72 0.00 0.42 -4.93 105.19 100.20 1ibk n GLY 100 Ca 0.03 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1ibk n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ibk h PHE 101 N -1.56 0.00 -1.98 1.61 0.05 -1.72 -3.34 116.94 110.00 1ibk h PHE 101 Ca -0.41 0.00 -0.77 0.00 3.82 0.00 0.00 57.97 60.61 1ibk h PHE 101 Cb 1.25 0.00 -0.25 0.00 2.00 0.00 0.00 35.95 38.95 1ibk h PHE 101 CO 0.33 0.46 1.17 1.28 -0.18 0.00 0.00 178.31 181.36 1ibk n LEU 102 N -2.87 7.44 -3.43 1.54 4.77 -1.26 -4.58 117.00 118.62 1ibk n LEU 102 Ca -0.07 -5.10 -0.20 0.00 -0.03 0.00 0.00 56.01 50.61 1ibk n LEU 102 Cb 0.78 -1.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1ibk n LEU 102 CO 0.42 1.95 -0.21 -0.89 -1.33 0.00 0.00 177.39 177.33 1ibk s THR 103 N -4.05 -0.29 -0.25 -5.08 2.01 -1.26 -5.01 115.64 101.71 1ibk s THR 103 Ca 0.46 -0.69 -0.33 0.00 0.31 0.00 0.00 61.69 61.43 1ibk s THR 103 Cb 0.27 -0.95 -0.10 0.00 0.01 0.00 0.00 72.50 71.74 1ibk s THR 103 CO -0.21 -0.57 2.13 -1.14 -0.69 0.00 0.00 174.62 174.14 1ibk n ARG 104 N 5.06 1.59 -1.88 4.92 0.00 -1.26 -4.83 116.66 120.25 1ibk n ARG 104 Ca 0.00 0.48 -0.40 0.00 -0.00 0.00 0.00 57.85 57.92 1ibk n ARG 104 Cb 0.45 -2.74 -0.03 0.00 0.00 0.00 0.00 32.46 30.14 1ibk n ARG 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ibk s ASP 105 N 6.90 5.39 0.65 6.15 -1.08 -1.26 -4.86 116.67 128.56 1ibk s ASP 105 Ca 1.03 1.06 0.37 0.00 -0.52 0.00 0.00 52.55 54.49 1ibk s ASP 105 Cb -0.66 -2.52 2.03 0.00 -1.46 0.00 0.00 42.92 40.30 1ibk s ASP 105 CO 0.46 -2.15 2.18 0.00 0.52 0.00 0.00 175.17 176.17 1ibk h ALA 106 N 14.98 1.26 -2.22 3.66 0.00 -1.97 -3.40 119.26 131.57 1ibk h ALA 106 Ca -0.31 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 1ibk h ALA 106 Cb 1.19 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.03 1ibk h ALA 106 CO 1.10 -0.16 0.94 0.54 0.00 0.00 0.00 179.25 181.67 1ibk n ARG 107 N -3.16 2.25 -3.91 0.00 1.74 -1.26 -4.97 116.66 107.35 1ibk n ARG 107 Ca -0.02 0.82 -0.09 0.00 -0.77 0.00 0.00 57.85 57.79 1ibk n ARG 107 Cb 0.22 -2.63 -0.08 0.00 -1.02 0.00 0.00 32.46 28.94 1ibk n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ibk s VAL 108 N 2.24 0.15 0.66 1.55 1.01 -1.26 -4.25 120.40 120.50 1ibk s VAL 108 Ca 0.84 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1ibk s VAL 108 Cb -0.66 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1ibk s VAL 108 CO 0.42 -0.68 0.55 0.52 0.00 0.00 0.00 175.10 175.91 1ibk n VAL 109 N 0.21 2.07 -4.16 2.92 0.31 -1.26 -4.97 118.33 113.44 1ibk n VAL 109 Ca -0.16 -0.44 -0.34 0.00 -0.01 0.00 0.00 64.34 63.39 1ibk n VAL 109 Cb 0.61 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 1ibk n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ibk s GLU 110 N -2.52 3.07 0.42 5.55 2.12 -1.26 -5.08 118.70 121.01 1ibk s GLU 110 Ca 0.67 -0.42 -0.25 0.00 0.36 0.00 0.00 54.97 55.33 1ibk s GLU 110 Cb -0.38 -2.87 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 1ibk s GLU 110 CO 0.56 0.68 1.19 -2.13 -0.54 0.00 0.00 175.26 175.03 1ibk n ARG 111 N 1.58 1.75 -2.84 4.30 0.00 -1.26 -4.90 116.66 115.29 1ibk n ARG 111 Ca -0.16 0.62 -0.43 0.00 -0.00 0.00 0.00 57.85 57.88 1ibk n ARG 111 Cb 0.53 -2.28 -0.02 0.00 0.00 0.00 0.00 32.46 30.69 1ibk n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ibk s LYS 112 N -2.15 3.66 1.14 -0.14 2.36 -1.26 -4.25 119.74 119.10 1ibk s LYS 112 Ca 0.62 -1.71 -0.16 0.00 -2.55 0.00 0.00 55.97 52.17 1ibk s LYS 112 Cb -0.53 -5.05 0.18 0.00 -1.05 0.00 0.00 37.83 31.39 1ibk s LYS 112 CO 0.58 -1.88 0.43 1.63 1.55 0.00 0.00 175.35 177.65 1ibk n LYS 113 N 7.02 -1.92 -3.75 4.03 4.01 -1.26 -4.70 118.16 121.59 1ibk n LYS 113 Ca 0.28 -0.54 -0.21 0.00 -0.51 0.00 0.00 58.31 57.33 1ibk n LYS 113 Cb 0.49 -1.89 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 1ibk n LYS 113 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 1ibk s TYR 114 N -2.31 2.86 0.00 2.13 -0.85 -1.26 -4.24 117.35 113.68 1ibk s TYR 114 Ca 0.61 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 1ibk s TYR 114 Cb -0.18 -1.88 0.00 0.00 0.38 0.00 0.00 41.96 40.28 1ibk s TYR 114 CO 0.66 0.12 0.00 0.41 -1.52 0.00 0.00 175.55 175.21 1ibk n GLY 115 N -1.41 0.76 3.21 5.49 0.00 -1.26 -4.95 105.19 107.03 1ibk n GLY 115 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1ibk n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibk s LYS 116 N -0.16 1.12 -0.02 1.61 1.02 -1.26 -4.60 119.74 117.45 1ibk s LYS 116 Ca 0.00 -1.56 0.04 0.00 0.02 0.00 0.00 55.97 54.47 1ibk s LYS 116 Cb 0.00 0.02 -0.25 0.00 -0.52 0.00 0.00 37.83 37.09 1ibk s LYS 116 CO 0.00 -0.26 0.76 0.45 -0.92 0.00 0.00 175.35 175.38 1ibk h HIS 117 N 2.68 0.21 -0.50 3.18 3.86 -0.17 -3.44 115.15 120.98 1ibk h HIS 117 Ca -0.36 -0.16 -0.29 0.00 -1.16 0.00 0.00 60.37 58.40 1ibk h HIS 117 Cb 1.22 -0.01 -0.26 0.00 1.06 0.00 0.00 27.41 29.42 1ibk h HIS 117 CO 0.45 1.24 -0.74 1.63 0.86 0.00 0.00 177.93 181.37 1ibk n LYS 118 N -3.28 1.15 0.00 2.45 5.02 -1.14 -4.95 118.16 117.42 1ibk n LYS 118 Ca -0.17 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 1ibk n LYS 118 Cb 1.03 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1ibk n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibk n ALA 119 N -0.29 0.00 0.12 7.82 0.00 -1.26 -4.10 120.51 122.80 1ibk n ALA 119 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ibk n ALA 119 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1ibk n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibk n ARG 120 N -1.79 0.00 -1.50 0.00 5.12 -1.26 -4.68 116.66 112.55 1ibk n ARG 120 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1ibk n ARG 120 Cb 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 32.46 31.12 1ibk n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1ibk n ARG 121 N -3.07 0.05 -3.25 5.56 0.00 -1.26 -4.71 116.66 109.99 1ibk n ARG 121 Ca 0.00 -0.03 -0.34 0.00 -0.00 0.00 0.00 57.85 57.49 1ibk n ARG 121 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 32.46 30.98 1ibk n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ibk s ALA 122 N 5.45 3.46 0.56 5.13 0.00 -1.26 0.56 121.76 135.66 1ibk s ALA 122 Ca 1.32 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 1ibk s ALA 122 Cb -1.01 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1ibk s ALA 122 CO 0.50 0.40 1.36 -1.25 0.00 0.00 0.00 175.76 176.78 1ibk s PRO 123 N -2.50 3.07 0.75 0.00 0.04 -1.26 -4.86 135.00 130.24 1ibk s PRO 123 Ca 0.46 2.24 -0.05 0.00 0.04 0.00 0.00 61.00 63.69 1ibk s PRO 123 Cb -0.13 -2.22 0.11 0.00 0.04 0.00 0.00 34.50 32.31 1ibk s PRO 123 CO 0.19 -1.24 1.04 1.14 0.04 0.00 0.00 177.00 178.17 1ibk s GLN 124 N -2.95 1.70 0.09 4.56 -2.07 -1.26 -5.11 119.66 114.62 1ibk s GLN 124 Ca 0.73 -0.72 -0.00 0.00 -1.82 0.00 0.00 55.36 53.54 1ibk s GLN 124 Cb -0.41 -2.21 -0.04 0.00 -1.09 0.00 0.00 33.01 29.26 1ibk s GLN 124 CO 0.48 -1.50 -0.02 1.52 -1.32 0.00 0.00 175.29 174.44 1ibk s TYR 125 N -3.27 0.73 0.00 9.60 -0.85 -1.26 -5.15 117.35 117.15 1ibk s TYR 125 Ca 0.65 -1.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1ibk s TYR 125 Cb -0.07 -0.46 0.00 0.00 0.38 0.00 0.00 41.96 41.81 1ibk s TYR 125 CO 0.45 -0.33 0.00 -1.13 -1.52 0.00 0.00 175.55 173.02 1ibk n SER 126 N 0.01 0.00 -3.85 -0.18 3.41 -1.26 -4.73 113.62 107.01 1ibk n SER 126 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.07 1ibk n SER 126 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1ibk n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ibk n LYS 127 N 0.00 3.37 0.00 4.33 4.01 -1.26 -5.35 118.16 123.26 1ibk n LYS 127 Ca 0.00 -3.24 0.05 0.00 -0.51 0.00 0.00 58.31 54.61 1ibk n LYS 127 Cb 0.00 -3.05 0.31 0.00 -0.51 0.00 0.00 35.03 31.78 1ibk n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16