#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk s ARG 3 N 0.00 4.19 0.00 0.00 0.52 -1.25 -4.13 118.95 118.27 1ibk s ARG 3 Ca 0.00 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 1ibk s ARG 3 Cb 0.00 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.84 1ibk s ARG 3 CO 0.00 -0.76 0.00 -0.89 0.02 0.00 0.00 175.30 173.67 1ibk n ILE 4 N 4.78 0.00 -1.97 1.52 5.41 0.35 -4.93 119.36 124.52 1ibk n ILE 4 Ca 0.16 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.63 1ibk n ILE 4 Cb 0.40 -0.58 0.15 0.00 -0.71 0.00 0.00 39.64 38.90 1ibk n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ibk s ALA 5 N -2.15 2.49 -0.43 -1.39 0.00 -1.25 -4.73 121.76 114.28 1ibk s ALA 5 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 1ibk s ALA 5 Cb 0.00 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 1ibk s ALA 5 CO 0.00 -2.09 1.09 0.41 0.00 0.00 0.00 175.76 175.16 1ibk n GLY 6 N -3.54 -0.21 4.31 0.00 0.00 -1.26 0.14 105.19 104.63 1ibk n GLY 6 Ca 0.13 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 1ibk n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ibk n VAL 7 N 2.96 -0.65 -4.16 1.61 0.24 -1.26 -4.94 118.33 112.13 1ibk n VAL 7 Ca 0.29 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.25 1ibk n VAL 7 Cb 0.03 -1.26 -0.11 0.00 -1.47 0.00 0.00 33.84 31.03 1ibk n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ibk s GLU 8 N -7.01 3.86 -0.28 7.34 0.41 0.37 -4.96 118.70 118.43 1ibk s GLU 8 Ca 0.77 -0.41 -0.03 0.00 -0.41 0.00 0.00 54.97 54.89 1ibk s GLU 8 Cb -0.43 -3.10 0.09 0.00 -1.78 0.00 0.00 34.13 28.91 1ibk s GLU 8 CO 0.95 0.27 0.12 0.42 -0.49 0.00 0.00 175.26 176.52 1ibk s ILE 9 N 0.34 0.15 0.17 -1.63 1.09 -1.26 0.13 121.20 120.18 1ibk s ILE 9 Ca 0.00 -0.82 -0.11 0.00 -1.10 0.00 0.00 60.65 58.62 1ibk s ILE 9 Cb -0.13 -1.08 -0.07 0.00 -1.06 0.00 0.00 42.46 40.12 1ibk s ILE 9 CO 0.01 -0.65 0.51 -2.16 -0.10 0.00 0.00 174.94 172.55 1ibk s PRO 10 N 2.00 3.85 0.02 2.79 0.04 -1.26 -4.96 135.00 137.48 1ibk s PRO 10 Ca 0.08 0.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.15 1ibk s PRO 10 Cb -0.16 -2.82 0.07 0.00 0.04 0.00 0.00 34.50 31.63 1ibk s PRO 10 CO -0.31 0.43 0.66 0.50 0.04 0.00 0.00 177.00 178.32 1ibk s ARG 11 N -2.34 1.12 0.00 4.56 3.52 -1.26 -3.86 118.95 120.70 1ibk s ARG 11 Ca 0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1ibk s ARG 11 Cb -0.13 0.52 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1ibk s ARG 11 CO 0.20 -0.41 0.00 -1.71 -0.81 0.00 0.00 175.30 172.57 1ibk n ASN 12 N 0.43 -2.28 -4.33 -2.12 2.85 -1.26 -4.94 115.26 103.61 1ibk n ASN 12 Ca -0.18 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.10 1ibk n ASN 12 Cb 0.60 -1.58 -0.10 0.00 1.24 0.00 0.00 39.78 39.94 1ibk n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1ibk s LYS 13 N -0.72 1.27 0.07 1.20 1.02 -1.26 -4.80 119.74 116.52 1ibk s LYS 13 Ca 0.00 -1.50 -0.37 0.00 0.02 0.00 0.00 55.97 54.12 1ibk s LYS 13 Cb 0.00 -1.13 -0.18 0.00 -0.52 0.00 0.00 37.83 36.00 1ibk s LYS 13 CO 0.00 0.20 1.16 0.54 -0.92 0.00 0.00 175.35 176.33 1ibk n ARG 14 N -0.09 0.62 -0.28 1.68 1.74 -1.26 -2.60 116.66 116.46 1ibk n ARG 14 Ca -0.10 0.22 0.09 0.00 -0.77 0.00 0.00 57.85 57.29 1ibk n ARG 14 Cb 0.59 -1.75 0.23 0.00 -1.02 0.00 0.00 32.46 30.51 1ibk n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ibk h VAL 15 N 2.96 0.31 0.00 1.55 2.07 -1.11 -0.08 116.25 121.94 1ibk h VAL 15 Ca -0.47 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ibk h VAL 15 Cb 1.38 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ibk h VAL 15 CO 0.70 0.03 0.00 -0.90 0.02 0.00 0.00 177.57 177.42 1ibk n ASP 16 N -5.30 0.00 -0.31 0.57 5.68 -1.26 -0.26 116.55 115.67 1ibk n ASP 16 Ca 0.18 0.93 0.12 0.00 -0.50 0.00 0.00 54.79 55.51 1ibk n ASP 16 Cb 0.59 -0.43 0.24 0.00 -1.14 0.00 0.00 41.12 40.38 1ibk n ASP 16 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ibk n VAL 17 N -2.20 -0.37 -0.32 2.12 0.31 -0.98 0.11 118.33 116.99 1ibk n VAL 17 Ca 0.00 1.98 0.04 0.00 -0.01 0.00 0.00 64.34 66.35 1ibk n VAL 17 Cb 0.00 -2.86 0.23 0.00 -0.91 0.00 0.00 33.84 30.31 1ibk n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibk h ALA 18 N 1.78 1.51 0.00 3.52 0.00 0.03 -0.47 119.26 125.63 1ibk h ALA 18 Ca 0.52 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 1ibk h ALA 18 Cb 1.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ibk h ALA 18 CO -0.85 0.35 -0.29 -0.07 0.00 0.00 0.00 179.25 178.38 1ibk h LEU 19 N 1.04 0.00 -1.43 0.00 3.38 0.39 -2.24 115.31 116.45 1ibk h LEU 19 Ca 0.41 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.45 1ibk h LEU 19 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1ibk h LEU 19 CO -0.16 0.29 0.46 0.74 0.09 0.00 0.00 178.44 179.86 1ibk h THR 20 N 0.00 0.99 0.00 0.22 2.02 -0.60 0.13 112.91 115.66 1ibk h THR 20 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1ibk h THR 20 Cb 0.81 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1ibk h THR 20 CO 0.04 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.83 1ibk n TYR 21 N -4.48 0.00 -3.92 3.16 4.02 -0.84 -4.58 117.16 110.51 1ibk n TYR 21 Ca 0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.63 1ibk n TYR 21 Cb 0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.52 1ibk n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ibk s ILE 22 N -2.00 5.36 0.13 -0.72 1.01 0.43 -4.96 121.20 120.46 1ibk s ILE 22 Ca 0.06 0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 1ibk s ILE 22 Cb 0.03 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 39.05 1ibk s ILE 22 CO 0.05 0.60 1.55 0.22 0.00 0.00 0.00 174.94 177.36 1ibk h TYR 23 N 5.15 -1.70 -0.09 3.97 3.20 -1.86 -2.24 116.97 123.39 1ibk h TYR 23 Ca -0.53 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.39 1ibk h TYR 23 Cb 1.22 0.79 -0.02 0.00 1.54 0.00 0.00 36.73 40.26 1ibk h TYR 23 CO 0.73 -0.50 0.04 0.41 -1.64 0.00 0.00 178.16 177.20 1ibk n GLY 24 N -1.38 1.97 3.13 1.82 0.00 -1.26 -4.87 105.19 104.60 1ibk n GLY 24 Ca -0.04 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1ibk n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibk s ILE 25 N -0.83 1.11 0.21 -0.61 1.01 -0.84 -4.91 121.20 116.34 1ibk s ILE 25 Ca 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1ibk s ILE 25 Cb 0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1ibk s ILE 25 CO 0.02 0.09 0.16 -0.83 0.00 0.00 0.00 174.94 174.37 1ibk s GLY 26 N -0.92 1.49 0.44 6.18 0.00 -1.26 -4.54 107.32 108.71 1ibk s GLY 26 Ca 0.03 -1.71 0.38 0.00 0.00 0.00 0.00 44.72 43.42 1ibk s GLY 26 CO 0.01 -1.38 1.33 0.28 0.00 0.00 0.00 173.10 173.34 1ibk n LYS 27 N -0.31 -0.01 0.11 2.90 4.76 -1.26 -0.57 118.16 123.77 1ibk n LYS 27 Ca 0.02 0.97 -0.04 0.00 -2.87 0.00 0.00 58.31 56.40 1ibk n LYS 27 Cb 0.65 -2.12 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 1ibk n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibk h ALA 28 N 1.03 -0.68 0.00 7.82 0.00 -2.00 -2.95 119.26 122.48 1ibk h ALA 28 Ca 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1ibk h ALA 28 Cb 2.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.84 1ibk h ALA 28 CO -0.15 -0.66 0.00 0.54 0.00 0.00 0.00 179.25 178.98 1ibk n ARG 29 N -3.14 0.12 0.17 0.00 1.74 0.26 -1.81 116.66 114.00 1ibk n ARG 29 Ca -0.04 0.62 -0.10 0.00 -0.77 0.00 0.00 57.85 57.56 1ibk n ARG 29 Cb 0.11 -1.90 -0.05 0.00 -1.02 0.00 0.00 32.46 29.60 1ibk n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ibk h ALA 30 N 2.00 -0.49 -0.13 7.54 0.00 -1.10 -2.14 119.26 124.95 1ibk h ALA 30 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1ibk h ALA 30 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ibk h ALA 30 CO 0.00 -0.49 0.24 0.87 0.00 0.00 0.00 179.25 179.87 1ibk h LYS 31 N -1.05 0.00 0.01 0.00 1.57 -1.18 -1.82 116.57 114.10 1ibk h LYS 31 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ibk h LYS 31 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ibk h LYS 31 CO 0.08 0.00 -0.00 0.93 -0.57 0.00 0.00 179.45 179.89 1ibk h GLU 32 N 0.00 -0.01 -0.72 3.15 5.08 -1.37 -2.99 114.58 117.72 1ibk h GLU 32 Ca 0.06 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1ibk h GLU 32 Cb 0.54 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1ibk h GLU 32 CO -0.00 -0.01 -0.19 0.00 -1.00 0.00 0.00 179.01 177.82 1ibk h ALA 33 N -1.91 0.46 0.00 3.43 0.00 -1.28 2.08 119.26 122.03 1ibk h ALA 33 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ibk h ALA 33 Cb 0.01 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ibk h ALA 33 CO 0.00 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1ibk n LEU 34 N -5.48 0.00 -0.01 0.00 4.77 -0.69 -0.83 117.00 114.76 1ibk n LEU 34 Ca 0.09 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1ibk n LEU 34 Cb 0.37 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ibk n LEU 34 CO 0.00 0.00 -0.10 1.21 -1.33 0.00 0.00 177.39 177.18 1ibk n GLU 35 N -0.71 0.08 -0.16 3.23 4.07 0.68 -2.55 120.64 125.27 1ibk n GLU 35 Ca 0.06 0.03 -0.02 0.00 -0.06 0.00 0.00 57.16 57.16 1ibk n GLU 35 Cb 0.03 -0.46 0.06 0.00 -0.06 0.00 0.00 31.44 31.01 1ibk n GLU 35 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1ibk h LYS 36 N -0.14 0.18 -3.37 5.31 1.57 -0.90 0.30 116.57 119.51 1ibk h LYS 36 Ca 0.00 -0.01 -0.73 0.00 -1.87 0.00 0.00 60.65 58.04 1ibk h LYS 36 Cb 0.14 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 1ibk h LYS 36 CO 0.00 0.12 2.70 2.41 -0.57 0.00 0.00 179.45 184.11 1ibk n THR 37 N -5.16 4.28 -0.99 -0.16 -1.04 -0.01 -4.89 114.28 106.31 1ibk n THR 37 Ca 0.06 -3.72 -0.12 0.00 -2.04 0.00 0.00 64.05 58.23 1ibk n THR 37 Cb 0.26 -2.41 -0.13 0.00 -1.82 0.00 0.00 70.33 66.23 1ibk n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibk n GLY 38 N 3.05 -0.27 2.82 3.41 0.00 0.11 -4.48 105.19 109.83 1ibk n GLY 38 Ca 0.54 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.36 1ibk n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibk s ILE 39 N 0.00 0.35 -0.18 -0.61 1.01 -1.06 -5.00 121.20 115.71 1ibk s ILE 39 Ca 0.72 0.04 -0.36 0.00 0.00 0.00 0.00 60.65 61.06 1ibk s ILE 39 Cb -0.47 -0.44 -0.12 0.00 0.01 0.00 0.00 42.46 41.44 1ibk s ILE 39 CO 0.31 0.21 1.90 -3.20 0.00 0.00 0.00 174.94 174.16 1ibk n ASN 40 N 4.45 3.02 -0.01 3.58 4.05 -1.26 -4.72 115.26 124.37 1ibk n ASN 40 Ca -0.19 0.91 -0.10 0.00 0.45 0.00 0.00 54.58 55.65 1ibk n ASN 40 Cb 0.50 -1.30 -0.04 0.00 1.23 0.00 0.00 39.78 40.18 1ibk n ASN 40 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1ibk h PRO 41 N 9.26 -0.35 0.00 1.20 0.11 -1.99 -2.69 132.00 137.55 1ibk h PRO 41 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ibk h PRO 41 Cb 1.29 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1ibk h PRO 41 CO 0.96 -0.23 0.09 0.00 -0.21 0.00 0.00 178.00 178.61 1ibk n ALA 42 N -2.84 0.62 -1.81 -0.75 0.00 -1.26 -3.19 120.51 111.28 1ibk n ALA 42 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 1ibk n ALA 42 Cb 0.32 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1ibk n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ibk s THR 43 N -1.82 4.00 0.57 0.00 -4.23 -1.02 -4.81 115.64 108.33 1ibk s THR 43 Ca 0.00 1.97 -0.19 0.00 -1.18 0.00 0.00 61.69 62.29 1ibk s THR 43 Cb 0.00 -4.25 -0.05 0.00 1.34 0.00 0.00 72.50 69.54 1ibk s THR 43 CO 0.00 0.45 1.15 -0.13 -0.54 0.00 0.00 174.62 175.55 1ibk s ARG 44 N -1.09 3.19 0.31 3.99 3.00 -1.26 -1.20 118.95 125.89 1ibk s ARG 44 Ca 0.42 1.65 0.00 0.00 0.00 0.00 0.00 55.73 57.80 1ibk s ARG 44 Cb -0.27 -1.98 0.52 0.00 0.00 0.00 0.00 34.95 33.22 1ibk s ARG 44 CO 0.33 -0.99 1.94 0.28 0.00 0.00 0.00 175.30 176.87 1ibk h VAL 45 N 0.99 1.13 0.07 3.52 2.07 -1.81 -1.77 116.25 120.44 1ibk h VAL 45 Ca -0.50 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1ibk h VAL 45 Cb 1.27 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ibk h VAL 45 CO 0.56 0.19 -0.06 0.07 0.02 0.00 0.00 177.57 178.35 1ibk h LYS 46 N 1.04 -0.14 0.00 1.57 2.10 -1.90 -1.87 116.57 117.36 1ibk h LYS 46 Ca 0.34 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1ibk h LYS 46 Cb 0.06 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1ibk h LYS 46 CO -0.11 -0.09 0.00 -0.44 -2.00 0.00 0.00 179.45 176.81 1ibk h ASP 47 N -0.14 0.00 -3.36 7.07 3.32 -1.71 -3.44 116.42 118.15 1ibk h ASP 47 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1ibk h ASP 47 Cb 0.14 0.00 0.17 0.00 0.22 0.00 0.00 39.33 39.86 1ibk h ASP 47 CO -0.02 0.00 -0.08 0.18 -1.72 0.00 0.00 179.24 177.60 1ibk n LEU 48 N -2.35 2.58 -4.85 1.55 4.77 -0.71 -4.94 117.00 113.06 1ibk n LEU 48 Ca -0.01 0.76 -0.37 0.00 -0.03 0.00 0.00 56.01 56.35 1ibk n LEU 48 Cb 0.05 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 39.77 1ibk n LEU 48 CO 0.11 -2.36 0.04 -0.89 -1.33 0.00 0.00 177.39 172.97 1ibk s THR 49 N -1.62 5.13 0.32 -5.08 2.01 -1.26 -4.94 115.64 110.20 1ibk s THR 49 Ca 0.73 0.67 0.08 0.00 0.31 0.00 0.00 61.69 63.47 1ibk s THR 49 Cb -0.42 -3.64 0.35 0.00 0.01 0.00 0.00 72.50 68.80 1ibk s THR 49 CO 0.50 0.56 1.61 -0.08 -0.69 0.00 0.00 174.62 176.51 1ibk h GLU 50 N 4.65 0.12 0.63 4.92 4.57 -1.96 0.31 114.58 127.82 1ibk h GLU 50 Ca -0.52 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1ibk h GLU 50 Cb 1.22 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1ibk h GLU 50 CO 0.61 0.08 -0.31 0.00 -1.18 0.00 0.00 179.01 178.21 1ibk h ALA 51 N 1.90 -1.23 -0.93 2.92 0.00 -2.00 -1.95 119.26 117.97 1ibk h ALA 51 Ca 0.65 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.57 1ibk h ALA 51 Cb 1.46 0.33 -0.18 0.00 0.00 0.00 0.00 17.79 19.41 1ibk h ALA 51 CO -0.75 -1.17 -0.20 0.93 0.00 0.00 0.00 179.25 178.06 1ibk h GLU 52 N -0.85 0.00 -0.42 0.00 5.08 -0.93 0.62 114.58 118.08 1ibk h GLU 52 Ca -0.09 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1ibk h GLU 52 Cb 0.66 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1ibk h GLU 52 CO 0.14 0.00 0.04 0.28 -1.00 0.00 0.00 179.01 178.47 1ibk h VAL 53 N 0.00 0.73 0.43 3.13 2.07 -0.50 -0.38 116.25 121.72 1ibk h VAL 53 Ca 0.46 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1ibk h VAL 53 Cb 0.73 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1ibk h VAL 53 CO -0.94 0.03 -0.40 0.58 0.02 0.00 0.00 177.57 176.85 1ibk h VAL 54 N 0.16 0.19 -0.82 2.57 2.07 0.10 0.93 116.25 121.44 1ibk h VAL 54 Ca 0.21 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.87 1ibk h VAL 54 Cb 0.28 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1ibk h VAL 54 CO -0.31 0.00 0.41 0.03 0.02 0.00 0.00 177.57 177.72 1ibk h ARG 55 N -0.84 0.58 0.26 1.57 3.08 -0.94 -1.00 114.38 117.10 1ibk h ARG 55 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1ibk h ARG 55 Cb 0.74 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ibk h ARG 55 CO -0.05 0.39 -0.13 1.25 -1.07 0.00 0.00 179.97 180.36 1ibk h LEU 56 N 0.60 -0.30 -0.88 3.04 6.46 -0.61 -1.08 115.31 122.54 1ibk h LEU 56 Ca 0.44 0.01 0.34 0.00 -0.12 0.00 0.00 57.88 58.56 1ibk h LEU 56 Cb 0.61 0.08 -0.16 0.00 -0.73 0.00 0.00 40.66 40.46 1ibk h LEU 56 CO -0.36 -0.14 0.39 -1.14 -0.62 0.00 0.00 178.44 176.57 1ibk n ARG 57 N -3.37 -0.06 0.07 1.25 0.63 0.32 -1.39 116.66 114.11 1ibk n ARG 57 Ca -0.04 1.23 -0.04 0.00 -0.92 0.00 0.00 57.85 58.08 1ibk n ARG 57 Cb 0.14 -2.17 -0.02 0.00 0.45 0.00 0.00 32.46 30.86 1ibk n ARG 57 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ibk h GLU 58 N 0.00 -0.25 0.00 -0.14 4.39 -1.16 -1.47 114.58 115.95 1ibk h GLU 58 Ca 0.71 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.42 1ibk h GLU 58 Cb 1.81 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 1ibk h GLU 58 CO -0.71 -0.16 0.16 0.98 -1.16 0.00 0.00 179.01 178.12 1ibk n TYR 59 N -4.39 0.00 -0.07 4.33 9.36 -0.41 -0.59 117.16 125.39 1ibk n TYR 59 Ca -0.03 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.06 1ibk n TYR 59 Cb 0.10 -0.25 -0.04 0.00 -0.63 0.00 0.00 39.34 38.52 1ibk n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ibk n VAL 60 N -1.22 1.25 0.30 2.97 0.31 -0.49 -4.34 118.33 117.11 1ibk n VAL 60 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1ibk n VAL 60 Cb 0.16 -1.95 0.99 0.00 -0.91 0.00 0.00 33.84 32.13 1ibk n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1ibk h GLU 61 N -0.68 0.00 -5.30 5.55 5.08 -0.86 -3.12 114.58 115.24 1ibk h GLU 61 Ca -0.22 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.47 1ibk h GLU 61 Cb 1.02 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.97 1ibk h GLU 61 CO -0.13 0.00 -0.81 -0.80 -1.00 0.00 0.00 179.01 176.27 1ibk s ASN 62 N -5.73 3.65 0.00 1.42 0.02 0.24 -4.56 114.94 109.99 1ibk s ASN 62 Ca -0.05 -0.43 0.00 0.00 -1.02 0.00 0.00 52.86 51.36 1ibk s ASN 62 Cb 0.14 -1.54 0.00 0.00 0.02 0.00 0.00 41.25 39.88 1ibk s ASN 62 CO 0.49 0.15 0.00 0.41 0.02 0.00 0.00 177.10 178.17 1ibk n THR 63 N 3.62 0.00 -4.30 1.60 -1.04 -1.25 -4.20 114.28 108.72 1ibk n THR 63 Ca -0.19 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 1ibk n THR 63 Cb 0.53 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.94 1ibk n THR 63 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1ibk s TRP 64 N 0.00 1.44 -0.23 -1.42 0.51 -1.18 -5.09 118.94 112.97 1ibk s TRP 64 Ca 0.00 -0.79 -0.08 0.00 -2.12 0.00 0.00 56.10 53.11 1ibk s TRP 64 Cb 0.00 -0.77 -0.03 0.00 -0.81 0.00 0.00 33.47 31.86 1ibk s TRP 64 CO 0.00 0.08 0.08 0.21 -0.51 0.00 0.00 176.95 176.80 1ibk s LYS 65 N -3.78 3.77 0.14 4.98 2.20 -1.26 -4.80 119.74 121.00 1ibk s LYS 65 Ca 0.22 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1ibk s LYS 65 Cb 0.03 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1ibk s LYS 65 CO 0.05 -0.05 0.14 1.28 -0.36 0.00 0.00 175.35 176.41 1ibk n LEU 66 N 4.51 0.00 0.00 5.43 4.32 -1.26 -4.62 117.00 125.38 1ibk n LEU 66 Ca -0.16 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.56 1ibk n LEU 66 Cb 0.52 0.80 0.00 0.00 -1.62 0.00 0.00 43.42 43.12 1ibk n LEU 66 CO 0.32 -0.23 0.00 -0.62 -1.22 0.00 0.00 177.39 175.64 1ibk n GLU 67 N -0.26 0.00 -0.23 3.23 -0.58 -1.26 -1.95 120.64 119.60 1ibk n GLU 67 Ca 0.02 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1ibk n GLU 67 Cb 0.25 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.16 1ibk n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ibk n GLY 68 N 0.00 -1.16 0.00 0.62 0.00 -1.26 -2.03 105.19 101.36 1ibk n GLY 68 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1ibk n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ibk n GLU 69 N -4.92 0.00 0.00 1.61 1.02 -0.82 -1.33 120.64 116.21 1ibk n GLU 69 Ca 0.07 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1ibk n GLU 69 Cb 0.26 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1ibk n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ibk n LEU 70 N -2.31 0.00 -0.43 -4.62 4.77 -0.86 0.99 117.00 114.54 1ibk n LEU 70 Ca 0.00 0.98 0.34 0.00 -0.03 0.00 0.00 56.01 57.29 1ibk n LEU 70 Cb 0.00 -0.48 0.53 0.00 -2.33 0.00 0.00 43.42 41.15 1ibk n LEU 70 CO 0.00 -0.48 0.97 0.54 -1.33 0.00 0.00 177.39 177.09 1ibk n ARG 71 N -2.73 -0.01 -0.07 3.23 1.74 -1.01 0.18 116.66 117.98 1ibk n ARG 71 Ca 0.00 0.82 -0.09 0.00 -0.77 0.00 0.00 57.85 57.81 1ibk n ARG 71 Cb 0.00 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 1ibk n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ibk h ALA 72 N 0.89 0.04 -0.28 7.54 0.00 0.13 -3.21 119.26 124.37 1ibk h ALA 72 Ca 0.65 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1ibk h ALA 72 Cb 2.37 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 20.32 1ibk h ALA 72 CO -0.15 0.19 -0.25 1.49 0.00 0.00 0.00 179.25 180.54 1ibk h GLU 73 N -1.00 -0.10 -0.81 0.00 4.81 0.89 0.19 114.58 118.56 1ibk h GLU 73 Ca -0.05 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1ibk h GLU 73 Cb 0.60 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.88 1ibk h GLU 73 CO -0.03 -0.07 -0.51 0.28 -0.73 0.00 0.00 179.01 177.95 1ibk h VAL 74 N -0.10 0.02 -0.19 0.32 2.07 -1.17 0.18 116.25 117.37 1ibk h VAL 74 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1ibk h VAL 74 Cb 0.22 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 1ibk h VAL 74 CO -0.32 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 176.83 1ibk h ALA 75 N 0.60 -0.61 -1.31 1.67 0.00 -1.30 0.22 119.26 118.52 1ibk h ALA 75 Ca 0.18 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.47 1ibk h ALA 75 Cb 0.51 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1ibk h ALA 75 CO -0.84 -0.95 0.92 0.00 0.00 0.00 0.00 179.25 178.38 1ibk h ALA 76 N 0.11 3.03 0.25 0.00 0.00 0.22 0.76 119.26 123.63 1ibk h ALA 76 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ibk h ALA 76 Cb 0.63 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ibk h ALA 76 CO -0.45 -1.46 -0.12 -0.91 0.00 0.00 0.00 179.25 176.31 1ibk h ASN 77 N 0.09 -0.29 -0.57 0.00 2.35 0.11 -1.90 115.58 115.36 1ibk h ASN 77 Ca 0.67 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.50 1ibk h ASN 77 Cb 2.43 0.07 -0.10 0.00 0.05 0.00 0.00 38.32 40.78 1ibk h ASN 77 CO -0.12 -0.02 -0.55 0.40 -1.65 0.00 0.00 177.43 175.49 1ibk h ILE 78 N -0.70 0.01 -0.98 2.81 5.03 -0.42 1.20 117.51 124.46 1ibk h ILE 78 Ca -0.03 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.05 1ibk h ILE 78 Cb 0.26 0.01 -0.16 0.00 -3.03 0.00 0.00 36.82 33.90 1ibk h ILE 78 CO 0.06 0.00 0.46 0.50 -0.68 0.00 0.00 178.15 178.48 1ibk h LYS 79 N -0.28 0.15 0.00 2.37 3.64 -0.99 -0.76 116.57 120.70 1ibk h LYS 79 Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ibk h LYS 79 Cb 0.55 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ibk h LYS 79 CO -0.69 0.10 0.00 -2.13 -2.27 0.00 0.00 179.45 174.46 1ibk n ARG 80 N -5.20 0.00 0.00 1.90 0.63 0.40 -0.38 116.66 114.02 1ibk n ARG 80 Ca 0.32 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1ibk n ARG 80 Cb 1.03 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1ibk n ARG 80 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1ibk n LEU 81 N -0.72 0.00 -0.05 6.15 -0.00 -0.50 0.10 117.00 121.97 1ibk n LEU 81 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 1ibk n LEU 81 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1ibk n LEU 81 CO 0.00 0.00 -0.85 0.80 -0.00 0.00 0.00 177.39 177.34 1ibk n MET 82 N -0.57 1.84 0.00 1.47 1.56 -0.31 -2.79 117.12 118.31 1ibk n MET 82 Ca 0.00 0.02 0.15 0.00 -0.27 0.00 0.00 57.70 57.59 1ibk n MET 82 Cb 0.00 -1.26 0.71 0.00 2.15 0.00 0.00 33.22 34.82 1ibk n MET 82 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1ibk n ASP 83 N -2.50 0.01 -4.56 6.12 8.00 0.29 -4.67 116.55 119.23 1ibk n ASP 83 Ca -0.18 0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.07 1ibk n ASP 83 Cb 0.80 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 41.44 1ibk n ASP 83 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1ibk s ILE 84 N -2.72 3.45 -0.38 0.53 -4.36 -0.98 -4.98 121.20 111.76 1ibk s ILE 84 Ca 0.24 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 1ibk s ILE 84 Cb 0.20 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1ibk s ILE 84 CO 0.49 0.44 0.24 0.61 0.24 0.00 0.00 174.94 176.95 1ibk n GLY 85 N 1.74 -0.03 3.44 6.27 0.00 -1.26 -4.80 105.19 110.55 1ibk n GLY 85 Ca -0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.34 1ibk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk h TYR 87 N 1.81 -0.47 -1.23 0.00 3.20 -1.87 -0.79 116.97 117.62 1ibk h TYR 87 Ca -0.37 -0.01 0.44 0.00 3.14 0.00 0.00 58.73 61.93 1ibk h TYR 87 Cb 1.44 0.17 -0.14 0.00 1.54 0.00 0.00 36.73 39.73 1ibk h TYR 87 CO 0.48 -0.27 0.76 -2.13 -1.64 0.00 0.00 178.16 175.36 1ibk n ARG 88 N -3.36 -0.04 0.01 1.82 0.63 -1.26 0.20 116.66 114.67 1ibk n ARG 88 Ca -0.06 1.22 -0.13 0.00 -0.92 0.00 0.00 57.85 57.97 1ibk n ARG 88 Cb 0.18 -2.35 -0.09 0.00 0.45 0.00 0.00 32.46 30.66 1ibk n ARG 88 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1ibk h GLY 89 N 0.00 -0.01 0.01 5.14 0.00 -1.10 -2.83 103.07 104.28 1ibk h GLY 89 Ca 0.83 0.00 0.13 0.00 0.00 0.00 0.00 47.33 48.29 1ibk h GLY 89 CO -0.51 -0.00 0.06 1.41 0.00 0.00 0.00 176.54 177.50 1ibk h LEU 90 N -0.28 -0.15 -1.16 3.11 3.38 0.37 0.20 115.31 120.78 1ibk h LEU 90 Ca -0.00 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.27 1ibk h LEU 90 Cb 0.27 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1ibk h LEU 90 CO 0.00 -0.07 0.61 0.03 0.09 0.00 0.00 178.44 179.10 1ibk h ARG 91 N 0.18 0.73 -0.53 1.13 2.47 -1.13 0.29 114.38 117.51 1ibk h ARG 91 Ca 0.33 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.93 1ibk h ARG 91 Cb 0.54 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 1ibk h ARG 91 CO -0.49 0.48 0.01 0.45 0.56 0.00 0.00 179.97 180.99 1ibk h HIS 92 N 0.75 1.02 -0.83 3.04 3.86 -0.39 -0.92 115.15 121.68 1ibk h HIS 92 Ca 0.50 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1ibk h HIS 92 Cb 0.78 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1ibk h HIS 92 CO -0.00 0.93 0.49 0.00 0.86 0.00 0.00 177.93 180.21 1ibk h ARG 93 N 0.81 1.14 0.00 2.45 3.08 0.27 -1.86 114.38 120.26 1ibk h ARG 93 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ibk h ARG 93 Cb 0.52 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ibk h ARG 93 CO 0.03 0.81 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 1ibk h ARG 94 N 1.14 0.00 -1.09 0.04 2.47 -0.70 -3.47 114.38 112.79 1ibk h ARG 94 Ca 0.30 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.83 1ibk h ARG 94 Cb -0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 1ibk h ARG 94 CO -0.05 0.00 -0.22 0.41 0.56 0.00 0.00 179.97 180.67 1ibk n GLY 95 N 0.76 0.28 3.69 0.04 0.00 -0.41 -5.02 105.19 104.53 1ibk n GLY 95 Ca 0.04 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1ibk n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibk s LEU 96 N -2.51 3.50 0.35 0.99 1.43 -0.82 -4.23 118.68 117.39 1ibk s LEU 96 Ca 0.00 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 1ibk s LEU 96 Cb 0.00 -2.20 -0.16 0.00 0.03 0.00 0.00 46.19 43.87 1ibk s LEU 96 CO 0.00 0.19 0.26 -0.81 0.23 0.00 0.00 176.35 176.22 1ibk n PRO 97 N 0.67 0.08 -0.57 1.29 -0.04 -1.26 -4.47 135.00 130.70 1ibk n PRO 97 Ca -0.11 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1ibk n PRO 97 Cb 0.52 -1.07 0.21 0.00 -0.04 0.00 0.00 33.50 33.12 1ibk n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ibk n VAL 98 N -0.72 2.19 -2.81 0.52 0.31 -1.26 -4.69 118.33 111.87 1ibk n VAL 98 Ca 0.13 -3.18 0.00 0.00 -0.01 0.00 0.00 64.34 61.28 1ibk n VAL 98 Cb 0.36 -0.24 0.05 0.00 -0.91 0.00 0.00 33.84 33.10 1ibk n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ibk n ARG 99 N -1.14 1.59 -3.44 5.55 1.74 -1.26 -5.01 116.66 114.70 1ibk n ARG 99 Ca 0.19 -3.28 -0.15 0.00 -0.77 0.00 0.00 57.85 53.84 1ibk n ARG 99 Cb 0.69 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 1ibk n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibk n GLY 100 N -0.58 -1.23 3.40 -0.13 0.00 -1.26 -5.03 105.19 100.36 1ibk n GLY 100 Ca 0.05 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 1ibk n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ibk s GLN 101 N -4.25 1.47 -0.32 1.61 1.11 -1.26 -5.08 119.66 112.95 1ibk s GLN 101 Ca 0.09 -1.59 -0.28 0.00 0.01 0.00 0.00 55.36 53.59 1ibk s GLN 101 Cb -0.03 -1.54 -0.03 0.00 -1.01 0.00 0.00 33.01 30.40 1ibk s GLN 101 CO 0.82 0.30 1.96 -0.98 0.01 0.00 0.00 175.29 177.40 1ibk s ARG 102 N -3.19 3.17 0.00 2.91 1.70 -1.26 -4.85 118.95 117.43 1ibk s ARG 102 Ca 0.23 1.56 0.17 0.00 -0.47 0.00 0.00 55.73 57.22 1ibk s ARG 102 Cb -0.05 -4.28 0.79 0.00 -0.57 0.00 0.00 34.95 30.84 1ibk s ARG 102 CO 0.10 -2.05 1.54 0.25 -1.08 0.00 0.00 175.30 174.06 1ibk n THR 103 N 7.54 0.13 0.35 4.99 -2.24 -1.26 -3.56 114.28 120.22 1ibk n THR 103 Ca 0.25 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 1ibk n THR 103 Cb 0.47 0.07 0.24 0.00 -2.10 0.00 0.00 70.33 69.01 1ibk n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ibk h ARG 104 N 1.13 0.00 0.00 -0.78 2.43 -2.03 -3.47 114.38 111.66 1ibk h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ibk h ARG 104 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ibk h ARG 104 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 1ibk n THR 105 N -2.83 0.00 -1.18 0.20 -2.24 -1.23 -5.06 114.28 101.94 1ibk n THR 105 Ca 0.04 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.35 1ibk n THR 105 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 1ibk n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ibk n ASN 106 N 0.00 0.53 -0.44 3.42 3.02 -1.26 -4.48 115.26 116.05 1ibk n ASN 106 Ca 0.00 0.46 -0.01 0.00 -0.03 0.00 0.00 54.58 54.99 1ibk n ASN 106 Cb 0.00 -0.80 -0.01 0.00 -0.61 0.00 0.00 39.78 38.36 1ibk n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibk n ALA 107 N 7.48 0.99 -0.27 5.41 0.00 -1.26 -4.81 120.51 128.05 1ibk n ALA 107 Ca 0.52 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 1ibk n ALA 107 Cb -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 19.45 19.39 1ibk n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibk h ARG 108 N 0.00 1.16 -0.17 0.00 2.47 -1.86 0.19 114.38 116.17 1ibk h ARG 108 Ca -0.11 -0.23 0.05 0.00 -1.26 0.00 0.00 59.98 58.43 1ibk h ARG 108 Cb 0.66 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1ibk h ARG 108 CO -0.06 0.97 0.40 0.00 0.56 0.00 0.00 179.97 181.84 1ibk h THR 109 N 1.12 0.15 0.00 2.04 1.03 -1.94 0.82 112.91 116.13 1ibk h THR 109 Ca 0.25 0.00 -0.30 0.00 -0.01 0.00 0.00 66.41 66.35 1ibk h THR 109 Cb 0.27 0.64 -0.05 0.00 -1.07 0.00 0.00 68.15 67.94 1ibk h THR 109 CO -0.01 0.00 -2.08 -1.14 -0.01 0.00 0.00 175.52 172.28 1ibk n ARG 110 N -3.21 0.45 0.06 0.00 3.00 -0.80 -4.57 116.66 111.59 1ibk n ARG 110 Ca 0.02 0.14 -0.03 0.00 -0.00 0.00 0.00 57.85 57.98 1ibk n ARG 110 Cb 0.50 -1.30 0.22 0.00 0.00 0.00 0.00 32.46 31.87 1ibk n ARG 110 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1ibk h LYS 111 N -0.29 0.34 0.00 -0.14 1.57 -0.41 -3.46 116.57 114.18 1ibk h LYS 111 Ca -0.45 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1ibk h LYS 111 Cb 1.56 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1ibk h LYS 111 CO -0.16 0.64 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 1ibk n GLY 112 N -0.28 0.51 3.91 3.86 0.00 0.28 -5.00 105.19 108.46 1ibk n GLY 112 Ca -0.01 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 1ibk n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ibk s PRO 113 N 0.00 3.57 -0.01 1.61 0.02 -1.26 -4.61 135.00 134.31 1ibk s PRO 113 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 61.00 60.53 1ibk s PRO 113 Cb 0.00 -2.88 -0.08 0.00 0.02 0.00 0.00 34.50 31.56 1ibk s PRO 113 CO 0.00 0.48 1.99 1.03 -0.33 0.00 0.00 177.00 180.18 1ibk s ARG 114 N -2.73 3.97 -1.14 5.54 0.52 -1.26 -4.89 118.95 118.96 1ibk s ARG 114 Ca 0.39 2.49 -0.04 0.00 -0.52 0.00 0.00 55.73 58.06 1ibk s ARG 114 Cb -0.12 -4.19 0.25 0.00 0.52 0.00 0.00 34.95 31.41 1ibk s ARG 114 CO 0.26 -1.15 1.90 1.63 0.02 0.00 0.00 175.30 177.96 1ibk n LYS 115 N 7.73 4.86 -1.47 3.54 5.02 -1.26 -5.03 118.16 131.56 1ibk n LYS 115 Ca 0.21 -4.24 -0.43 0.00 -2.02 0.00 0.00 58.31 51.83 1ibk n LYS 115 Cb 0.42 -2.56 -0.01 0.00 -0.02 0.00 0.00 35.03 32.86 1ibk n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ibk n THR 116 N 1.00 1.81 -4.47 -0.18 -1.04 -1.26 -5.00 114.28 105.14 1ibk n THR 116 Ca 0.46 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.76 1ibk n THR 116 Cb 0.28 -0.53 -0.04 0.00 -1.82 0.00 0.00 70.33 68.22 1ibk n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ibk n VAL 117 N -0.46 0.00 -1.53 12.58 0.31 -1.26 -5.02 118.33 122.94 1ibk n VAL 117 Ca 0.12 -1.51 -0.28 0.00 -0.01 0.00 0.00 64.34 62.66 1ibk n VAL 117 Cb 0.35 0.30 -0.05 0.00 -0.91 0.00 0.00 33.84 33.53 1ibk n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibk n ALA 118 N -1.99 6.49 -0.76 3.52 0.00 -1.26 -5.00 120.51 121.52 1ibk n ALA 118 Ca -0.13 -3.13 -0.31 0.00 0.00 0.00 0.00 53.44 49.86 1ibk n ALA 118 Cb 0.40 -2.20 0.12 0.00 0.00 0.00 0.00 19.45 17.77 1ibk n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibk n GLY 119 N 0.96 -2.60 3.67 0.00 0.00 -1.26 -4.99 105.19 100.97 1ibk n GLY 119 Ca 0.50 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1ibk n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ibk s LYS 120 N -2.92 -0.01 0.00 1.61 2.20 -1.26 -5.05 119.74 114.31 1ibk s LYS 120 Ca 0.44 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1ibk s LYS 120 Cb -0.03 -1.71 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 1ibk s LYS 120 CO 0.59 -2.97 0.00 1.63 -0.36 0.00 0.00 175.35 174.24 1ibk n LYS 121 N -4.30 0.00 -1.53 4.03 5.02 -1.26 -5.03 118.16 115.09 1ibk n LYS 121 Ca 0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1ibk n LYS 121 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.50 1ibk n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ibk n LYS 122 N 0.00 0.53 0.00 1.97 3.00 -1.26 -4.03 118.16 118.38 1ibk n LYS 122 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1ibk n LYS 122 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 35.03 32.34 1ibk n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ibk n ALA 123 N 13.80 0.00 0.00 3.14 0.00 -1.26 -5.03 120.51 131.15 1ibk n ALA 123 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ibk n ALA 123 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ibk n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ibk n PRO 124 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.67 135.00 129.06 1ibk n PRO 124 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ibk n PRO 124 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1ibk n PRO 124 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ibk n ARG 125 N 0.00 0.43 0.00 -0.52 -4.01 -1.26 -5.20 116.66 106.10 1ibk n ARG 125 Ca 0.00 0.00 0.15 0.00 -1.04 0.00 0.00 57.85 56.96 1ibk n ARG 125 Cb 0.00 -1.25 0.65 0.00 -3.04 0.00 0.00 32.46 28.83 1ibk n ARG 125 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22