#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 4.15 0.00 3.04 0.00 -1.26 -5.00 120.51 121.44 1ig4 n ALA 2 Ca 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.02 1ig4 n ALA 2 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.71 0.00 -1.72 0.00 4.71 -1.26 -4.80 120.64 116.85 1ig4 n GLU 3 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 1ig4 n GLU 3 Cb 0.89 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.32 1ig4 n GLU 3 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ig4 n ASP 4 N 0.68 -8.61 -4.65 1.62 8.00 -1.26 -4.72 116.55 107.60 1ig4 n ASP 4 Ca 0.00 1.21 -0.29 0.00 0.71 0.00 0.00 54.79 56.42 1ig4 n ASP 4 Cb 0.00 -4.47 0.12 0.00 -0.02 0.00 0.00 41.12 36.75 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ig4 s TRP 5 N -1.61 2.49 0.11 1.24 0.52 -1.26 -4.56 118.94 115.87 1ig4 s TRP 5 Ca 0.00 0.62 0.02 0.00 0.02 0.00 0.00 56.10 56.76 1ig4 s TRP 5 Cb 0.00 -3.68 -0.04 0.00 -1.15 0.00 0.00 33.47 28.60 1ig4 s TRP 5 CO 0.00 -2.10 -0.06 -0.51 0.02 0.00 0.00 176.95 174.30 1ig4 s LEU 6 N -5.72 2.46 0.65 2.99 1.43 0.16 -4.84 118.68 115.81 1ig4 s LEU 6 Ca 0.66 -1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 1ig4 s LEU 6 Cb -0.09 -0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 1ig4 s LEU 6 CO 0.51 -0.47 1.16 -1.81 0.23 0.00 0.00 176.35 175.97 1ig4 s ASP 7 N -3.07 4.96 -0.39 2.29 1.11 -1.26 0.48 116.67 120.78 1ig4 s ASP 7 Ca 0.14 2.21 0.03 0.00 0.18 0.00 0.00 52.55 55.11 1ig4 s ASP 7 Cb 0.05 -2.58 0.16 0.00 1.07 0.00 0.00 42.92 41.62 1ig4 s ASP 7 CO -0.03 -1.74 0.33 0.00 1.18 0.00 0.00 175.17 174.92 1ig4 n PRO 9 N 3.44 0.11 0.25 0.00 -0.04 -1.26 -3.82 135.00 133.68 1ig4 n PRO 9 Ca 0.21 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.66 1ig4 n PRO 9 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.71 -1.11 0.01 0.55 0.00 -1.90 -3.34 119.26 116.20 1ig4 h ALA 10 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ig4 h ALA 10 Cb 0.24 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ig4 h ALA 10 CO 0.00 -1.15 -0.01 -0.07 0.00 0.00 0.00 179.25 178.02 1ig4 h LEU 11 N -0.91 -0.02 0.00 0.00 4.07 -1.88 -3.41 115.31 113.17 1ig4 h LEU 11 Ca -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1ig4 h LEU 11 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1ig4 h LEU 11 CO -0.10 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 178.35 1ig4 n GLY 12 N 1.73 -0.62 3.79 0.83 0.00 -1.25 -5.11 105.19 104.56 1ig4 n GLY 12 Ca -0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.68 3.93 0.00 1.61 0.04 -1.26 -3.50 135.00 135.14 1ig4 s PRO 13 Ca 0.00 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1ig4 s PRO 13 Cb 0.00 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1ig4 s PRO 13 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1ig4 n GLY 14 N 0.09 2.97 3.76 0.56 0.00 -1.26 -4.60 105.19 106.71 1ig4 n GLY 14 Ca 0.07 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.41 2.59 0.02 1.61 0.52 -1.23 -3.90 118.94 116.14 1ig4 s TRP 15 Ca 0.00 1.46 -0.00 0.00 0.02 0.00 0.00 56.10 57.57 1ig4 s TRP 15 Cb 0.00 -3.59 -0.02 0.00 -1.15 0.00 0.00 33.47 28.71 1ig4 s TRP 15 CO 0.00 -2.18 -0.02 0.21 0.02 0.00 0.00 176.95 174.98 1ig4 s LYS 16 N -2.79 0.32 -0.12 4.98 2.47 -0.98 -3.33 119.74 120.30 1ig4 s LYS 16 Ca 0.67 -0.60 0.01 0.00 -1.56 0.00 0.00 55.97 54.49 1ig4 s LYS 16 Cb -0.34 0.11 0.02 0.00 -1.46 0.00 0.00 37.83 36.16 1ig4 s LYS 16 CO 0.41 -0.05 -0.13 0.50 0.16 0.00 0.00 175.35 176.24 1ig4 s ARG 17 N -1.45 2.03 -0.06 4.03 3.52 0.18 -1.50 118.95 125.69 1ig4 s ARG 17 Ca -0.16 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.00 1ig4 s ARG 17 Cb -0.10 -1.84 -0.02 0.00 -1.56 0.00 0.00 34.95 31.43 1ig4 s ARG 17 CO -0.01 -0.16 -0.13 0.50 -0.81 0.00 0.00 175.30 174.69 1ig4 s ARG 18 N 1.28 2.67 0.02 5.12 3.52 0.14 0.39 118.95 132.10 1ig4 s ARG 18 Ca -0.01 -0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1ig4 s ARG 18 Cb -0.14 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1ig4 s ARG 18 CO -0.05 0.56 0.17 -2.00 -0.81 0.00 0.00 175.30 173.16 1ig4 s GLU 19 N -0.56 3.33 0.18 5.12 2.12 -1.26 0.30 118.70 127.93 1ig4 s GLU 19 Ca 0.08 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 55.06 1ig4 s GLU 19 Cb -0.11 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1ig4 s GLU 19 CO 0.01 0.64 -0.15 0.08 -0.54 0.00 0.00 175.26 175.30 1ig4 s VAL 20 N -1.38 1.69 -0.27 3.70 1.01 0.15 -4.91 120.40 120.40 1ig4 s VAL 20 Ca 0.30 -2.05 0.19 0.00 0.00 0.00 0.00 61.98 60.42 1ig4 s VAL 20 Cb -0.13 -1.91 0.50 0.00 0.00 0.00 0.00 36.38 34.84 1ig4 s VAL 20 CO 0.22 -0.49 1.13 0.49 0.00 0.00 0.00 175.10 176.44 1ig4 n PHE 21 N -0.05 1.61 -0.87 5.22 3.72 -1.26 -1.62 117.46 124.21 1ig4 n PHE 21 Ca -0.11 -2.17 0.10 0.00 -0.05 0.00 0.00 57.45 55.22 1ig4 n PHE 21 Cb 0.59 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.62 -1.57 0.00 -1.08 5.12 -0.61 -4.16 116.66 113.73 1ig4 n ARG 22 Ca 0.16 1.11 0.00 0.00 -1.93 0.00 0.00 57.85 57.18 1ig4 n ARG 22 Cb 0.84 -2.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 -2.82 0.00 -3.28 5.56 0.00 -1.26 -4.74 118.16 111.63 1ig4 n LYS 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1ig4 n LYS 23 Cb 0.59 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.20 1ig4 n LYS 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ig4 n SER 24 N -1.64 0.00 0.00 3.14 2.88 -1.26 -4.90 113.62 111.84 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 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 1.90 0.53 0.46 0.00 -1.26 -4.00 105.19 102.82 1ig4 n GLY 25 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.47 4.61 0.00 -1.26 -4.88 120.51 120.45 1ig4 n ALA 26 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ig4 n ALA 26 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.63 0.07 -1.45 0.00 -2.24 -1.26 -4.90 114.28 102.87 1ig4 n THR 27 Ca 0.00 0.02 -0.51 0.00 -2.27 0.00 0.00 64.05 61.29 1ig4 n THR 27 Cb 0.00 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.58 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 1.83 0.10 3.77 0.00 0.00 -1.26 -4.97 105.19 104.65 1ig4 n GLY 29 Ca 0.18 0.00 -0.38 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 -0.97 4.20 -0.19 1.61 0.52 -0.79 -4.89 118.95 118.43 1ig4 s ARG 30 Ca 0.00 0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 55.62 1ig4 s ARG 30 Cb 0.00 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 1ig4 s ARG 30 CO 0.00 0.40 0.14 -1.54 0.02 0.00 0.00 175.30 174.32 1ig4 s SER 31 N -0.21 6.24 -0.05 0.23 1.04 -1.26 -1.58 113.70 118.11 1ig4 s SER 31 Ca 0.26 0.26 0.05 0.00 0.48 0.00 0.00 55.95 57.01 1ig4 s SER 31 Cb -0.17 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1ig4 s SER 31 CO 0.13 0.19 -0.20 -1.81 0.98 0.00 0.00 173.24 172.53 1ig4 s ASP 32 N 0.25 2.54 -0.25 7.02 1.01 -0.64 -4.90 116.67 121.71 1ig4 s ASP 32 Ca 0.09 -0.42 -0.11 0.00 0.71 0.00 0.00 52.55 52.82 1ig4 s ASP 32 Cb -0.11 -0.74 -0.05 0.00 1.01 0.00 0.00 42.92 43.03 1ig4 s ASP 32 CO -0.01 0.18 0.18 -0.89 0.21 0.00 0.00 175.17 174.85 1ig4 s THR 33 N -0.00 5.33 0.22 -1.27 2.01 -1.26 0.32 115.64 120.99 1ig4 s THR 33 Ca -0.05 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1ig4 s THR 33 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1ig4 s THR 33 CO 0.03 0.31 0.04 -0.31 -0.69 0.00 0.00 174.62 174.00 1ig4 s TYR 34 N 1.29 2.85 0.01 4.92 1.51 0.15 -4.76 117.35 123.31 1ig4 s TYR 34 Ca 0.08 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1ig4 s TYR 34 Cb -0.14 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1ig4 s TYR 34 CO 0.07 0.56 -0.00 0.71 -1.11 0.00 0.00 175.55 175.77 1ig4 s TYR 35 N -2.04 0.12 -0.05 2.71 1.51 -0.94 0.28 117.35 118.94 1ig4 s TYR 35 Ca 0.30 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1ig4 s TYR 35 Cb -0.08 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1ig4 s TYR 35 CO 0.20 -0.10 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.34 1ig4 s GLN 36 N -0.75 2.72 0.95 -0.62 0.74 -0.56 -0.58 119.66 121.56 1ig4 s GLN 36 Ca -0.08 -0.58 -0.14 0.00 0.05 0.00 0.00 55.36 54.60 1ig4 s GLN 36 Cb -0.05 -2.59 0.22 0.00 1.10 0.00 0.00 33.01 31.69 1ig4 s GLN 36 CO -0.00 0.65 0.50 -1.13 -0.55 0.00 0.00 175.29 174.75 1ig4 n SER 37 N 2.01 -3.15 -0.05 6.67 3.41 0.14 -2.31 113.62 120.33 1ig4 n SER 37 Ca -0.17 -0.50 0.13 0.00 -0.26 0.00 0.00 58.87 58.07 1ig4 n SER 37 Cb 0.53 -0.68 0.50 0.00 -0.26 0.00 0.00 64.21 64.31 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 -3.04 0.29 -2.57 4.33 -0.04 -1.25 -3.95 135.00 128.77 1ig4 n PRO 38 Ca 0.08 -0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1ig4 n PRO 38 Cb 0.35 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.26 0.00 0.00 0.52 5.66 -1.26 -4.38 114.28 113.56 1ig4 n THR 39 Ca 0.10 -1.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.05 1ig4 n THR 39 Cb 0.31 0.85 0.00 0.00 -1.55 0.00 0.00 70.33 69.95 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 -0.74 0.44 0.00 1.09 0.00 -1.26 -5.15 105.19 99.57 1ig4 n GLY 40 Ca -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1ig4 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ig4 n ASP 41 N 0.00 0.00 -4.69 1.61 8.00 -1.26 -4.90 116.55 115.31 1ig4 n ASP 41 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1ig4 n ASP 41 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ig4 s ARG 42 N 0.00 4.45 0.11 -1.24 6.06 -1.26 0.26 118.95 127.33 1ig4 s ARG 42 Ca 0.00 1.43 0.10 0.00 -2.50 0.00 0.00 55.73 54.75 1ig4 s ARG 42 Cb 0.00 -3.52 -0.04 0.00 0.06 0.00 0.00 34.95 31.45 1ig4 s ARG 42 CO 0.00 -0.25 -0.22 0.42 -2.50 0.00 0.00 175.30 172.75 1ig4 s ILE 43 N 1.74 2.59 0.00 4.11 -1.09 0.25 -4.90 121.20 123.89 1ig4 s ILE 43 Ca 0.50 -1.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1ig4 s ILE 43 Cb -0.20 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1ig4 s ILE 43 CO 0.21 0.13 0.00 0.54 -1.23 0.00 0.00 174.94 174.60 1ig4 n ARG 44 N 0.97 1.31 0.00 2.79 5.12 -1.26 -2.23 116.66 123.36 1ig4 n ARG 44 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1ig4 n ARG 44 Cb 0.53 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 1ig4 n ARG 44 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1ig4 n SER 45 N -1.34 0.00 -0.02 0.55 7.64 -1.26 -4.70 113.62 114.49 1ig4 n SER 45 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1ig4 n SER 45 Cb 0.07 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.16 1ig4 n SER 45 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ig4 h LYS 46 N 0.00 0.28 0.42 1.43 3.64 -1.97 -2.54 116.57 117.83 1ig4 h LYS 46 Ca 0.00 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1ig4 h LYS 46 Cb 0.00 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1ig4 h LYS 46 CO 0.00 0.97 -0.46 0.28 -2.27 0.00 0.00 179.45 177.97 1ig4 h VAL 47 N -0.30 0.00 -1.02 2.00 2.07 -1.97 0.85 116.25 117.87 1ig4 h VAL 47 Ca -0.04 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.73 1ig4 h VAL 47 Cb 1.09 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 1ig4 h VAL 47 CO 0.07 0.00 0.66 -0.08 0.02 0.00 0.00 177.57 178.25 1ig4 h GLU 48 N -0.89 0.39 -0.49 1.57 4.57 -1.97 1.13 114.58 118.89 1ig4 h GLU 48 Ca -0.05 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 1ig4 h GLU 48 Cb 0.78 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 1ig4 h GLU 48 CO -0.08 0.26 0.04 1.25 -1.18 0.00 0.00 179.01 179.30 1ig4 h LEU 49 N 0.40 0.82 -2.05 1.64 5.85 -0.58 -1.51 115.31 119.87 1ig4 h LEU 49 Ca 0.57 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1ig4 h LEU 49 Cb 1.45 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1ig4 h LEU 49 CO -0.27 0.90 -0.03 0.74 -0.34 0.00 0.00 178.44 179.44 1ig4 h THR 50 N 0.71 0.11 0.34 1.05 2.02 0.82 -2.86 112.91 115.09 1ig4 h THR 50 Ca 0.15 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1ig4 h THR 50 Cb 0.45 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1ig4 h THR 50 CO 0.02 0.03 -0.16 0.03 0.37 0.00 0.00 175.52 175.80 1ig4 h ARG 51 N 0.00 -0.44 -0.66 6.66 2.47 0.39 0.37 114.38 123.18 1ig4 h ARG 51 Ca -0.00 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.83 1ig4 h ARG 51 Cb 0.31 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1ig4 h ARG 51 CO 0.00 -0.12 0.44 -0.92 0.56 0.00 0.00 179.97 179.93 1ig4 h TYR 52 N -0.89 0.59 0.00 3.04 5.03 -1.40 0.24 116.97 123.57 1ig4 h TYR 52 Ca -0.05 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.22 1ig4 h TYR 52 Cb 0.53 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1ig4 h TYR 52 CO 0.03 0.29 -0.32 -0.07 -1.32 0.00 0.00 178.16 176.77 1ig4 h LEU 53 N 0.56 0.00 0.00 2.82 3.38 -1.42 -3.50 115.31 117.15 1ig4 h LEU 53 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ig4 h LEU 53 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ig4 h LEU 53 CO -0.09 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1ig4 n GLY 54 N 1.18 3.01 0.26 0.83 0.00 0.13 -4.49 105.19 106.10 1ig4 n GLY 54 Ca 0.03 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 1.61 0.13 -1.81 -2.58 132.00 129.35 1ig4 h PRO 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ig4 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ig4 h PRO 55 CO 0.00 0.10 -0.31 0.00 -0.23 0.00 0.00 178.00 177.56 1ig4 h ALA 56 N 1.90 0.84 -2.76 -0.56 0.00 -1.89 -3.44 119.26 113.35 1ig4 h ALA 56 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1ig4 h ALA 56 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1ig4 h ALA 56 CO 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.26 1ig4 s ASP 58 N 0.32 5.08 -0.35 0.00 1.11 -1.26 -4.76 116.67 116.81 1ig4 s ASP 58 Ca 0.32 -0.82 0.15 0.00 0.18 0.00 0.00 52.55 52.39 1ig4 s ASP 58 Cb -0.17 -0.19 0.43 0.00 1.07 0.00 0.00 42.92 44.06 1ig4 s ASP 58 CO 0.16 -0.92 1.14 0.18 1.18 0.00 0.00 175.17 176.91 1ig4 n LEU 59 N -1.80 0.06 0.10 1.23 4.77 -1.26 -4.93 117.00 115.17 1ig4 n LEU 59 Ca 0.06 -3.55 0.09 0.00 -0.03 0.00 0.00 56.01 52.58 1ig4 n LEU 59 Cb 0.62 0.26 0.42 0.00 -2.33 0.00 0.00 43.42 42.39 1ig4 n LEU 59 CO 0.41 1.66 0.77 0.41 -1.33 0.00 0.00 177.39 179.31 1ig4 n THR 60 N -0.36 1.09 0.96 -5.08 -1.04 -1.26 -1.83 114.28 106.77 1ig4 n THR 60 Ca 0.03 0.43 0.11 0.00 -2.04 0.00 0.00 64.05 62.58 1ig4 n THR 60 Cb 0.83 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 1ig4 n THR 60 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ig4 n LEU 61 N -2.01 0.84 -4.67 -4.42 4.77 -1.26 -4.61 117.00 105.65 1ig4 n LEU 61 Ca 0.01 -0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 55.21 1ig4 n LEU 61 Cb 0.13 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1ig4 n LEU 61 CO 0.13 0.21 0.98 0.12 -1.33 0.00 0.00 177.39 177.50 1ig4 s PHE 62 N -3.02 3.11 -0.81 -1.77 5.36 -0.76 0.10 117.98 120.19 1ig4 s PHE 62 Ca 0.08 1.22 0.08 0.00 -0.96 0.00 0.00 56.93 57.35 1ig4 s PHE 62 Cb 0.16 -3.40 0.42 0.00 -0.34 0.00 0.00 43.02 39.86 1ig4 s PHE 62 CO 0.83 -1.19 1.17 -0.25 -1.46 0.00 0.00 175.22 174.32 1ig4 n ASP 63 N 6.00 3.27 0.00 6.13 9.92 -1.04 -4.95 116.55 135.89 1ig4 n ASP 63 Ca 0.12 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.97 1ig4 n ASP 63 Cb 0.46 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1ig4 n ASP 63 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1ig4 n PHE 64 N 0.37 0.00 0.10 1.24 7.35 -1.26 -3.13 117.46 122.13 1ig4 n PHE 64 Ca 0.14 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 1ig4 n PHE 64 Cb 0.69 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.46 1ig4 n PHE 64 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1ig4 h LYS 65 N 0.00 -0.32 -0.96 -4.13 1.63 -1.93 -2.26 116.57 108.61 1ig4 h LYS 65 Ca 0.00 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 59.96 1ig4 h LYS 65 Cb 0.00 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.62 1ig4 h LYS 65 CO 0.00 -0.21 0.61 1.96 -3.45 0.00 0.00 179.45 178.36 1ig4 h GLN 66 N -0.33 0.81 -0.18 1.90 1.08 -1.96 -3.46 115.11 112.98 1ig4 h GLN 66 Ca 0.02 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1ig4 h GLN 66 Cb 0.34 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1ig4 h GLN 66 CO -0.08 0.53 -0.04 0.41 -0.95 0.00 0.00 178.83 178.70 1ig4 n GLY 67 N -1.38 0.43 3.10 3.46 0.00 -0.85 -5.01 105.19 104.94 1ig4 n GLY 67 Ca 0.19 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.09 0.53 -1.19 -0.61 -5.25 -1.26 -3.61 121.20 107.72 1ig4 s ILE 68 Ca 0.00 -1.45 -0.11 0.00 -0.99 0.00 0.00 60.65 58.10 1ig4 s ILE 68 Cb 0.00 -1.06 0.21 0.00 2.95 0.00 0.00 42.46 44.56 1ig4 s ILE 68 CO 0.00 -0.63 1.41 0.18 -1.79 0.00 0.00 174.94 174.11 1ig4 n LEU 69 N 0.79 5.55 0.00 0.37 4.77 -1.26 -2.49 117.00 124.73 1ig4 n LEU 69 Ca -0.18 -4.68 0.00 0.00 -0.03 0.00 0.00 56.01 51.12 1ig4 n LEU 69 Cb 0.58 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ig4 n LEU 69 CO 0.25 1.02 0.00 0.00 -1.33 0.00 0.00 177.39 177.33 1ig4 s TYR 71 N 3.00 3.48 0.23 0.00 1.51 -1.26 -4.11 117.35 120.19 1ig4 s TYR 71 Ca 0.00 0.18 0.23 0.00 -1.01 0.00 0.00 57.07 56.47 1ig4 s TYR 71 Cb 0.00 -1.73 1.00 0.00 -0.11 0.00 0.00 41.96 41.12 1ig4 s TYR 71 CO 0.00 0.36 1.87 -1.00 -1.11 0.00 0.00 175.55 175.67 1ig4 h PRO 72 N 1.44 0.00 -5.43 -1.71 0.13 -1.86 -3.47 132.00 121.09 1ig4 h PRO 72 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ig4 h PRO 72 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1ig4 h PRO 72 CO 0.64 0.24 -1.07 0.00 -0.23 0.00 0.00 178.00 177.58 1ig4 n ALA 73 N -2.26 -2.88 0.18 -0.56 0.00 -1.26 -4.86 120.51 108.87 1ig4 n ALA 73 Ca -0.01 1.33 0.05 0.00 0.00 0.00 0.00 53.44 54.82 1ig4 n ALA 73 Cb 0.40 -2.77 0.31 0.00 0.00 0.00 0.00 19.45 17.39 1ig4 n ALA 73 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ig4 h PRO 74 N 4.14 0.00 0.00 0.00 0.13 -2.06 -3.56 132.00 130.64 1ig4 h PRO 74 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ig4 h PRO 74 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ig4 h PRO 74 CO 0.02 0.39 0.00 1.63 -0.23 0.00 0.00 178.00 179.81