#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig4 n ALA 2 N 0.00 -0.92 -0.95 -5.12 0.00 -1.26 -4.05 120.51 108.21 1ig4 n ALA 2 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ig4 n ALA 2 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1ig4 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ig4 n GLU 3 N -3.37 0.00 -2.73 0.00 4.71 -1.26 -3.66 120.64 114.34 1ig4 n GLU 3 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.04 1ig4 n GLU 3 Cb 0.59 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 31.04 1ig4 n GLU 3 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ig4 s ASP 4 N -4.00 -0.44 -0.23 1.62 -1.08 -1.26 -5.02 116.67 106.27 1ig4 s ASP 4 Ca 0.00 -0.42 -0.22 0.00 -0.52 0.00 0.00 52.55 51.38 1ig4 s ASP 4 Cb 0.00 0.57 -0.02 0.00 -1.46 0.00 0.00 42.92 42.02 1ig4 s ASP 4 CO 0.00 -0.03 0.72 0.26 0.52 0.00 0.00 175.17 176.64 1ig4 s TRP 5 N 1.30 3.33 0.28 -5.34 0.23 -1.24 -3.97 118.94 113.53 1ig4 s TRP 5 Ca 0.21 1.00 0.11 0.00 -2.03 0.00 0.00 56.10 55.39 1ig4 s TRP 5 Cb 0.08 -2.92 -0.05 0.00 0.03 0.00 0.00 33.47 30.61 1ig4 s TRP 5 CO -0.11 -0.30 -0.14 -0.51 0.96 0.00 0.00 176.95 176.85 1ig4 s LEU 6 N 2.41 2.76 0.60 2.99 1.43 0.14 -4.84 118.68 124.18 1ig4 s LEU 6 Ca 0.31 -0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 1ig4 s LEU 6 Cb -0.16 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1ig4 s LEU 6 CO 0.09 0.00 1.09 -1.81 0.23 0.00 0.00 176.35 175.96 1ig4 s ASP 7 N -3.57 5.56 -0.53 2.29 1.01 -1.26 0.55 116.67 120.72 1ig4 s ASP 7 Ca 0.31 1.98 0.04 0.00 0.71 0.00 0.00 52.55 55.59 1ig4 s ASP 7 Cb -0.05 -2.55 0.17 0.00 1.01 0.00 0.00 42.92 41.50 1ig4 s ASP 7 CO 0.16 -1.32 0.40 0.00 0.21 0.00 0.00 175.17 174.62 1ig4 n PRO 9 N 2.53 0.24 -0.17 0.00 -0.04 -1.26 -3.67 135.00 132.63 1ig4 n PRO 9 Ca 0.25 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.81 1ig4 n PRO 9 Cb 0.42 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1ig4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 h ALA 10 N 2.79 0.60 0.00 0.55 0.00 -1.90 -3.35 119.26 117.95 1ig4 h ALA 10 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ig4 h ALA 10 Cb 0.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ig4 h ALA 10 CO 0.00 -0.29 -0.26 1.28 0.00 0.00 0.00 179.25 179.98 1ig4 n LEU 11 N -5.09 0.70 0.00 0.00 4.32 -1.24 -4.53 117.00 111.15 1ig4 n LEU 11 Ca 0.06 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1ig4 n LEU 11 Cb 0.25 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 1ig4 n LEU 11 CO 0.20 -0.46 0.15 0.61 -1.22 0.00 0.00 177.39 176.67 1ig4 n GLY 12 N 1.61 0.86 3.58 -0.72 0.00 -1.26 -5.10 105.19 104.17 1ig4 n GLY 12 Ca -0.04 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1ig4 n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ig4 s PRO 13 N -2.00 3.28 0.00 1.61 0.04 -1.26 -3.52 135.00 133.14 1ig4 s PRO 13 Ca 0.04 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1ig4 s PRO 13 Cb -0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1ig4 s PRO 13 CO 0.00 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1ig4 n GLY 14 N 5.29 0.72 3.81 0.56 0.00 -1.26 -4.90 105.19 109.41 1ig4 n GLY 14 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ig4 n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ig4 s TRP 15 N 0.00 3.08 0.03 1.61 0.52 -1.23 -3.82 118.94 119.14 1ig4 s TRP 15 Ca 0.00 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.61 1ig4 s TRP 15 Cb 0.00 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1ig4 s TRP 15 CO 0.00 -0.99 -0.02 0.21 0.02 0.00 0.00 176.95 176.17 1ig4 s LYS 16 N -4.13 0.45 -0.01 4.98 2.47 -0.97 -2.99 119.74 119.54 1ig4 s LYS 16 Ca 0.62 -0.85 0.07 0.00 -1.56 0.00 0.00 55.97 54.25 1ig4 s LYS 16 Cb -0.15 0.16 -0.02 0.00 -1.46 0.00 0.00 37.83 36.36 1ig4 s LYS 16 CO 0.37 -0.08 -0.22 0.50 0.16 0.00 0.00 175.35 176.08 1ig4 s ARG 17 N -2.48 1.69 -0.02 4.03 3.52 0.19 -1.77 118.95 124.12 1ig4 s ARG 17 Ca -0.06 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1ig4 s ARG 17 Cb -0.03 -1.67 0.02 0.00 -1.56 0.00 0.00 34.95 31.71 1ig4 s ARG 17 CO -0.05 0.45 0.04 0.50 -0.81 0.00 0.00 175.30 175.43 1ig4 s ARG 18 N -0.62 0.01 -0.11 5.12 3.52 0.22 0.29 118.95 127.37 1ig4 s ARG 18 Ca 0.08 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.73 1ig4 s ARG 18 Cb -0.08 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.16 1ig4 s ARG 18 CO -0.00 -0.08 0.16 -1.21 -0.81 0.00 0.00 175.30 173.36 1ig4 s GLU 19 N 0.52 3.48 -0.31 5.12 2.02 -1.26 0.29 118.70 128.56 1ig4 s GLU 19 Ca -0.04 -0.09 0.02 0.00 0.02 0.00 0.00 54.97 54.88 1ig4 s GLU 19 Cb -0.06 -3.19 0.09 0.00 0.10 0.00 0.00 34.13 31.07 1ig4 s GLU 19 CO -0.02 0.77 0.06 0.08 0.02 0.00 0.00 175.26 176.17 1ig4 s VAL 20 N -1.03 1.59 -0.24 2.63 1.01 0.16 -4.81 120.40 119.71 1ig4 s VAL 20 Ca 0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 1ig4 s VAL 20 Cb -0.12 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 1ig4 s VAL 20 CO 0.05 -0.57 3.00 0.49 0.00 0.00 0.00 175.10 178.07 1ig4 n PHE 21 N 4.56 0.87 -0.75 5.22 3.72 -1.25 -0.46 117.46 129.36 1ig4 n PHE 21 Ca -0.01 -1.71 0.10 0.00 -0.05 0.00 0.00 57.45 55.78 1ig4 n PHE 21 Cb 0.42 -1.38 -0.03 0.00 -0.94 0.00 0.00 39.48 37.56 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ig4 n ARG 22 N 1.51 -1.45 0.00 -1.08 5.12 -0.20 -4.19 116.66 116.37 1ig4 n ARG 22 Ca 0.42 0.98 0.00 0.00 -1.93 0.00 0.00 57.85 57.32 1ig4 n ARG 22 Cb 0.70 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1ig4 n ARG 22 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1ig4 n LYS 23 N -2.47 0.11 -3.93 5.56 4.81 -1.26 -4.81 118.16 116.17 1ig4 n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ig4 n LYS 23 Cb 0.58 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.10 1ig4 n LYS 23 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ig4 n SER 24 N -1.13 0.00 0.00 3.14 2.88 -1.26 -4.96 113.62 112.29 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ig4 n SER 24 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ig4 n GLY 25 N -0.14 2.61 0.00 0.46 0.00 -1.26 -4.29 105.19 102.57 1ig4 n GLY 25 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ig4 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ig4 n ALA 26 N 0.00 0.00 1.80 4.61 0.00 -1.26 -4.91 120.51 120.75 1ig4 n ALA 26 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ig4 n ALA 26 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 1ig4 n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ig4 n THR 27 N -0.55 0.04 -1.52 0.00 -2.24 -1.26 -4.93 114.28 103.83 1ig4 n THR 27 Ca 0.00 -0.09 -0.49 0.00 -2.27 0.00 0.00 64.05 61.20 1ig4 n THR 27 Cb 0.00 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 1ig4 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ig4 n GLY 29 N 1.81 2.68 3.79 0.00 0.00 -1.26 -4.99 105.19 107.22 1ig4 n GLY 29 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1ig4 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ig4 s ARG 30 N -0.51 4.38 -0.39 1.61 0.52 -1.06 -4.86 118.95 118.65 1ig4 s ARG 30 Ca 0.00 1.33 0.02 0.00 -0.52 0.00 0.00 55.73 56.56 1ig4 s ARG 30 Cb 0.00 -2.58 0.11 0.00 0.52 0.00 0.00 34.95 33.00 1ig4 s ARG 30 CO 0.00 0.09 0.12 -1.54 0.02 0.00 0.00 175.30 173.99 1ig4 s SER 31 N -1.74 4.82 -0.13 0.23 1.04 -1.25 -1.03 113.70 115.63 1ig4 s SER 31 Ca 0.55 -2.28 -0.05 0.00 0.48 0.00 0.00 55.95 54.66 1ig4 s SER 31 Cb -0.17 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 1ig4 s SER 31 CO 0.22 -0.39 0.03 -1.81 0.98 0.00 0.00 173.24 172.28 1ig4 s ASP 32 N 0.90 5.46 -0.22 7.02 1.11 0.39 -4.82 116.67 126.52 1ig4 s ASP 32 Ca 0.12 0.13 -0.11 0.00 0.18 0.00 0.00 52.55 52.87 1ig4 s ASP 32 Cb -0.21 -1.75 -0.05 0.00 1.07 0.00 0.00 42.92 41.99 1ig4 s ASP 32 CO -0.06 0.29 0.17 -0.89 1.18 0.00 0.00 175.17 175.86 1ig4 s THR 33 N -0.35 5.37 -0.10 -1.27 2.01 -1.26 0.38 115.64 120.42 1ig4 s THR 33 Ca 0.08 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 1ig4 s THR 33 Cb -0.12 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1ig4 s THR 33 CO 0.02 0.38 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.97 1ig4 s TYR 34 N 0.73 2.98 0.05 4.92 1.51 0.14 -4.62 117.35 123.07 1ig4 s TYR 34 Ca 0.09 -0.09 0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1ig4 s TYR 34 Cb -0.12 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1ig4 s TYR 34 CO 0.02 0.21 -0.24 0.71 -1.11 0.00 0.00 175.55 175.13 1ig4 s TYR 35 N -0.40 2.12 -0.09 2.71 1.51 -0.64 -0.61 117.35 121.96 1ig4 s TYR 35 Ca 0.06 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1ig4 s TYR 35 Cb -0.12 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1ig4 s TYR 35 CO 0.02 0.13 0.16 -1.14 -1.11 0.00 0.00 175.55 173.61 1ig4 s GLN 36 N -1.30 3.45 0.59 -0.62 0.74 -0.73 0.77 119.66 122.55 1ig4 s GLN 36 Ca 0.10 -0.18 -0.09 0.00 0.05 0.00 0.00 55.36 55.24 1ig4 s GLN 36 Cb -0.10 -3.16 0.14 0.00 1.10 0.00 0.00 33.01 30.99 1ig4 s GLN 36 CO 0.02 0.75 0.31 -1.13 -0.55 0.00 0.00 175.29 174.69 1ig4 n SER 37 N 1.67 -2.54 0.10 6.67 3.41 0.27 -2.29 113.62 120.91 1ig4 n SER 37 Ca -0.17 -0.31 0.13 0.00 -0.26 0.00 0.00 58.87 58.25 1ig4 n SER 37 Cb 0.54 -0.41 0.36 0.00 -0.26 0.00 0.00 64.21 64.44 1ig4 n SER 37 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ig4 n PRO 38 N -2.56 0.27 -2.46 4.33 -0.04 -1.25 -3.48 135.00 129.82 1ig4 n PRO 38 Ca 0.05 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1ig4 n PRO 38 Cb 0.22 -1.79 0.08 0.00 -0.04 0.00 0.00 33.50 31.96 1ig4 n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ig4 n THR 39 N -2.26 0.00 0.00 0.52 5.66 -1.26 -4.34 114.28 112.60 1ig4 n THR 39 Ca 0.05 -0.89 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1ig4 n THR 39 Cb 0.43 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1ig4 n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ig4 n GLY 40 N -0.85 1.89 0.00 1.09 0.00 -1.26 -5.17 105.19 100.88 1ig4 n GLY 40 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ig4 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ig4 n ASP 41 N 0.00 0.00 -4.71 1.61 2.03 -1.26 -4.85 116.55 109.37 1ig4 n ASP 41 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1ig4 n ASP 41 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ig4 s ARG 42 N -1.20 4.16 0.19 -0.67 1.81 -1.26 0.94 118.95 122.92 1ig4 s ARG 42 Ca 0.00 -0.23 0.08 0.00 -1.72 0.00 0.00 55.73 53.85 1ig4 s ARG 42 Cb 0.00 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 31.04 1ig4 s ARG 42 CO 0.00 0.27 -0.01 0.42 -0.68 0.00 0.00 175.30 175.30 1ig4 s ILE 43 N 0.45 3.61 0.00 1.52 1.09 0.23 -4.92 121.20 123.18 1ig4 s ILE 43 Ca 0.08 -1.53 0.00 0.00 -1.10 0.00 0.00 60.65 58.10 1ig4 s ILE 43 Cb -0.11 -2.83 0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1ig4 s ILE 43 CO -0.01 -0.15 0.49 0.54 -0.10 0.00 0.00 174.94 175.70 1ig4 n ARG 44 N -0.23 0.00 -1.38 2.79 1.74 -1.26 -1.62 116.66 116.70 1ig4 n ARG 44 Ca -0.09 -0.48 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 1ig4 n ARG 44 Cb 0.56 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1ig4 n ARG 44 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ig4 n SER 45 N 0.00 0.00 -0.02 0.55 2.88 -1.26 -4.87 113.62 110.90 1ig4 n SER 45 Ca 0.00 -0.85 -0.16 0.00 -1.33 0.00 0.00 58.87 56.53 1ig4 n SER 45 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 1ig4 n SER 45 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ig4 h LYS 46 N 0.00 0.23 -0.22 -1.46 3.64 -1.96 -2.88 116.57 113.92 1ig4 h LYS 46 Ca 0.00 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1ig4 h LYS 46 Cb 0.00 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1ig4 h LYS 46 CO 0.00 0.95 0.01 0.28 -2.27 0.00 0.00 179.45 178.43 1ig4 h VAL 47 N -0.40 0.86 -0.29 2.00 2.07 -1.97 0.13 116.25 118.65 1ig4 h VAL 47 Ca -0.04 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1ig4 h VAL 47 Cb 1.06 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1ig4 h VAL 47 CO 0.06 0.02 -0.22 -0.33 0.02 0.00 0.00 177.57 177.12 1ig4 h GLU 48 N 0.09 -0.19 -0.71 1.57 4.39 -1.94 0.98 114.58 118.77 1ig4 h GLU 48 Ca 0.10 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ig4 h GLU 48 Cb 0.12 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1ig4 h GLU 48 CO -0.16 -0.13 0.47 1.25 -1.16 0.00 0.00 179.01 179.28 1ig4 h LEU 49 N -0.20 0.81 -2.21 1.33 5.85 -1.22 0.41 115.31 120.08 1ig4 h LEU 49 Ca 0.15 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ig4 h LEU 49 Cb 0.43 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1ig4 h LEU 49 CO -0.40 0.58 0.00 0.74 -0.34 0.00 0.00 178.44 179.02 1ig4 h THR 50 N 0.96 0.00 0.08 1.05 2.02 0.96 -2.74 112.91 115.25 1ig4 h THR 50 Ca 0.26 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 1ig4 h THR 50 Cb -0.10 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1ig4 h THR 50 CO -0.06 0.00 -0.04 0.03 0.37 0.00 0.00 175.52 175.82 1ig4 h ARG 51 N 0.00 -0.11 -0.27 6.66 3.08 0.14 -2.24 114.38 121.64 1ig4 h ARG 51 Ca 0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1ig4 h ARG 51 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1ig4 h ARG 51 CO 0.00 -0.07 0.35 -0.92 -1.07 0.00 0.00 179.97 178.25 1ig4 h TYR 52 N -0.87 0.00 0.00 3.04 3.20 -1.44 0.40 116.97 121.31 1ig4 h TYR 52 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ig4 h TYR 52 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1ig4 h TYR 52 CO 0.00 0.00 -0.63 -0.07 -1.64 0.00 0.00 178.16 175.82 1ig4 h LEU 53 N 0.00 0.00 0.00 2.82 3.38 -1.56 -3.50 115.31 116.45 1ig4 h LEU 53 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ig4 h LEU 53 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ig4 h LEU 53 CO -0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1ig4 n GLY 54 N 1.17 2.84 0.28 0.83 0.00 0.14 -4.57 105.19 105.87 1ig4 n GLY 54 Ca 0.02 -1.88 0.17 0.00 0.00 0.00 0.00 46.02 44.33 1ig4 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ig4 h PRO 55 N 0.00 0.00 -0.87 1.61 0.13 -1.81 -2.71 132.00 128.35 1ig4 h PRO 55 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1ig4 h PRO 55 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1ig4 h PRO 55 CO 0.00 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.17 1ig4 n ALA 56 N -2.09 4.82 -3.50 -0.56 0.00 -1.26 -4.65 120.51 113.27 1ig4 n ALA 56 Ca 0.01 -2.35 -0.27 0.00 0.00 0.00 0.00 53.44 50.83 1ig4 n ALA 56 Cb 0.31 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1ig4 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ig4 s ASP 58 N -0.46 4.69 -0.39 0.00 1.11 -1.26 -4.74 116.67 115.63 1ig4 s ASP 58 Ca 0.31 1.17 0.11 0.00 0.18 0.00 0.00 52.55 54.33 1ig4 s ASP 58 Cb 0.03 -1.88 0.35 0.00 1.07 0.00 0.00 42.92 42.49 1ig4 s ASP 58 CO -0.18 -1.83 0.75 0.18 1.18 0.00 0.00 175.17 175.28 1ig4 n LEU 59 N -3.32 1.18 0.31 1.23 4.77 -1.26 -4.92 117.00 115.00 1ig4 n LEU 59 Ca 0.07 -5.06 0.20 0.00 -0.03 0.00 0.00 56.01 51.19 1ig4 n LEU 59 Cb 0.57 0.60 1.05 0.00 -2.33 0.00 0.00 43.42 43.31 1ig4 n LEU 59 CO 0.57 2.29 1.12 0.74 -1.33 0.00 0.00 177.39 180.78 1ig4 h THR 60 N 1.21 0.00 -0.49 -5.08 2.02 -2.02 0.85 112.91 109.40 1ig4 h THR 60 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1ig4 h THR 60 Cb 0.93 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1ig4 h THR 60 CO 0.53 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.60 1ig4 n LEU 61 N -2.91 3.21 -4.53 2.58 4.77 -1.26 -4.86 117.00 114.00 1ig4 n LEU 61 Ca -0.03 -1.50 -0.38 0.00 -0.03 0.00 0.00 56.01 54.07 1ig4 n LEU 61 Cb 0.13 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1ig4 n LEU 61 CO 0.17 0.75 -0.20 0.12 -1.33 0.00 0.00 177.39 176.90 1ig4 s PHE 62 N -1.35 3.18 0.08 -1.77 5.36 0.29 -2.77 117.98 121.00 1ig4 s PHE 62 Ca 0.40 -0.14 -0.30 0.00 -0.96 0.00 0.00 56.93 55.93 1ig4 s PHE 62 Cb 0.22 -2.35 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 1ig4 s PHE 62 CO 0.30 -0.27 0.96 -0.51 -1.46 0.00 0.00 175.22 174.24 1ig4 s ASP 63 N 1.70 7.46 0.43 6.13 1.11 -1.19 -4.93 116.67 127.38 1ig4 s ASP 63 Ca 0.06 1.75 0.16 0.00 0.18 0.00 0.00 52.55 54.71 1ig4 s ASP 63 Cb -0.16 -2.58 0.96 0.00 1.07 0.00 0.00 42.92 42.21 1ig4 s ASP 63 CO 0.08 -0.11 1.93 0.15 1.18 0.00 0.00 175.17 178.41 1ig4 h PHE 64 N 5.86 0.00 0.00 4.23 3.57 -1.96 -1.42 116.94 127.22 1ig4 h PHE 64 Ca -0.42 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 60.95 1ig4 h PHE 64 Cb 1.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1ig4 h PHE 64 CO 0.66 0.25 -0.95 1.17 -2.23 0.00 0.00 178.31 177.21 1ig4 n LYS 65 N -4.09 0.51 0.14 1.11 3.00 -1.26 -4.48 118.16 113.09 1ig4 n LYS 65 Ca -0.02 0.54 -0.13 0.00 -0.00 0.00 0.00 58.31 58.69 1ig4 n LYS 65 Cb 0.32 -1.71 -0.06 0.00 0.00 0.00 0.00 35.03 33.57 1ig4 n LYS 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ig4 h GLN 66 N -1.00 -0.39 0.00 1.64 4.20 -1.97 -3.47 115.11 114.11 1ig4 h GLN 66 Ca -0.19 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1ig4 h GLN 66 Cb 0.93 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1ig4 h GLN 66 CO -0.12 -0.26 0.00 0.41 -0.67 0.00 0.00 178.83 178.19 1ig4 n GLY 67 N -1.31 0.88 3.15 3.46 0.00 -0.53 -5.02 105.19 105.81 1ig4 n GLY 67 Ca -0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1ig4 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ig4 s ILE 68 N -2.00 0.78 -1.11 -0.61 -5.25 -1.26 -4.04 121.20 107.71 1ig4 s ILE 68 Ca 0.00 -1.57 -0.12 0.00 -0.99 0.00 0.00 60.65 57.97 1ig4 s ILE 68 Cb 0.00 -1.25 0.21 0.00 2.95 0.00 0.00 42.46 44.37 1ig4 s ILE 68 CO 0.00 -0.59 1.22 -0.76 -1.79 0.00 0.00 174.94 173.02 1ig4 s LEU 69 N -2.37 5.71 -1.08 0.37 1.43 -1.26 -3.18 118.68 118.31 1ig4 s LEU 69 Ca 0.03 -3.12 -0.26 0.00 -1.03 0.00 0.00 54.13 49.75 1ig4 s LEU 69 Cb -0.03 -2.31 -0.22 0.00 0.03 0.00 0.00 46.19 43.66 1ig4 s LEU 69 CO -0.01 -0.58 2.08 0.00 0.23 0.00 0.00 176.35 178.07 1ig4 s TYR 71 N 16.44 3.53 -0.89 0.00 5.04 -1.26 -5.00 117.35 135.20 1ig4 s TYR 71 Ca 0.80 0.42 -0.24 0.00 -2.44 0.00 0.00 57.07 55.60 1ig4 s TYR 71 Cb -0.04 -1.87 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 1ig4 s TYR 71 CO 0.19 0.67 1.85 -1.25 -1.34 0.00 0.00 175.55 175.67 1ig4 s PRO 72 N -1.45 2.74 -0.03 4.97 0.04 -1.26 -4.81 135.00 135.20 1ig4 s PRO 72 Ca 0.21 -0.35 -0.22 0.00 0.04 0.00 0.00 61.00 60.68 1ig4 s PRO 72 Cb -0.12 -5.04 -0.15 0.00 0.04 0.00 0.00 34.50 29.23 1ig4 s PRO 72 CO 0.11 -3.11 0.97 0.00 0.04 0.00 0.00 177.00 175.00 1ig4 h ALA 73 N 11.33 -0.33 -0.01 8.56 0.00 -1.98 -3.34 119.26 133.49 1ig4 h ALA 73 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ig4 h ALA 73 Cb 1.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ig4 h ALA 73 CO 1.25 -0.42 -0.04 -1.00 0.00 0.00 0.00 179.25 179.04 1ig4 h PRO 74 N -0.86 0.03 -0.00 0.00 0.13 -2.06 -3.57 132.00 125.66 1ig4 h PRO 74 Ca -0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1ig4 h PRO 74 Cb 0.51 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1ig4 h PRO 74 CO 0.06 0.72 0.00 1.17 -0.23 0.00 0.00 178.00 179.71