#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 1.83 -1.56 3.04 0.00 -1.26 -4.93 120.51 117.63 1ig4 n ALA 2 Ca 0.00 -2.67 -0.17 0.00 0.00 0.00 0.00 53.44 50.60 1ig4 n ALA 2 Cb 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 1ig4 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ig4 n GLU 3 N 0.06 -1.41 -2.57 0.00 0.00 -1.26 -3.80 120.64 111.66 1ig4 n GLU 3 Ca 0.13 0.98 -0.02 0.00 0.00 0.00 0.00 57.16 58.26 1ig4 n GLU 3 Cb 0.74 -5.32 -0.01 0.00 0.00 0.00 0.00 31.44 26.85 1ig4 n GLU 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ig4 n ASP 4 N -0.99 -5.45 -4.88 4.31 -0.08 -1.26 -4.84 116.55 103.35 1ig4 n ASP 4 Ca -0.17 1.28 -0.29 0.00 -1.51 0.00 0.00 54.79 54.10 1ig4 n ASP 4 Cb 0.56 -4.91 0.08 0.00 2.34 0.00 0.00 41.12 39.19 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1ig4 s TRP 5 N -1.23 3.02 0.08 -0.67 0.52 -1.25 -4.80 118.94 114.61 1ig4 s TRP 5 Ca -0.08 0.85 0.01 0.00 0.02 0.00 0.00 56.10 56.90 1ig4 s TRP 5 Cb 0.01 -3.36 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 1ig4 s TRP 5 CO 0.71 -1.66 -0.05 -0.51 0.02 0.00 0.00 176.95 175.47 1ig4 s LEU 6 N -5.56 2.49 1.01 2.99 1.43 0.84 -4.92 118.68 116.96 1ig4 s LEU 6 Ca 0.61 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1ig4 s LEU 6 Cb -0.11 0.04 0.20 0.00 0.03 0.00 0.00 46.19 46.35 1ig4 s LEU 6 CO 0.50 -0.52 1.08 -1.81 0.23 0.00 0.00 176.35 175.83 1ig4 s ASP 7 N -2.99 2.23 -0.42 2.29 1.11 -1.26 0.39 116.67 118.02 1ig4 s ASP 7 Ca 0.10 1.75 0.04 0.00 0.18 0.00 0.00 52.55 54.62 1ig4 s ASP 7 Cb 0.06 -2.37 0.17 0.00 1.07 0.00 0.00 42.92 41.85 1ig4 s ASP 7 CO -0.07 -3.46 0.44 0.00 1.18 0.00 0.00 175.17 173.27 1ig4 n PRO 9 N 3.51 0.21 0.33 0.00 -0.04 -1.26 -3.56 135.00 134.19 1ig4 n PRO 9 Ca 0.19 0.11 0.18 0.00 -0.04 0.00 0.00 63.50 63.93 1ig4 n PRO 9 Cb 0.48 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.38 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 2.91 1.20 0.00 0.55 0.00 -1.87 -3.36 119.26 118.68 1ig4 h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ig4 h ALA 10 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ig4 h ALA 10 CO 0.00 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.33 1ig4 n LEU 11 N -2.90 0.22 0.00 0.00 4.32 -1.23 -4.20 117.00 113.21 1ig4 n LEU 11 Ca -0.02 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1ig4 n LEU 11 Cb 0.26 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1ig4 n LEU 11 CO 0.15 -0.59 0.00 0.61 -1.22 0.00 0.00 177.39 176.35 1ig4 n GLY 12 N 2.85 1.21 3.73 -0.72 0.00 -1.26 -5.10 105.19 105.90 1ig4 n GLY 12 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.63 4.49 0.00 1.61 0.04 -1.26 -3.32 135.00 135.93 1ig4 s PRO 13 Ca 0.00 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1ig4 s PRO 13 Cb 0.00 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1ig4 s PRO 13 CO 0.00 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1ig4 n GLY 14 N 2.46 1.89 3.75 0.56 0.00 -1.26 -4.56 105.19 108.04 1ig4 n GLY 14 Ca 0.05 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.44 2.39 0.05 1.61 0.52 -1.21 -4.09 118.94 116.78 1ig4 s TRP 15 Ca 0.00 1.43 0.01 0.00 0.02 0.00 0.00 56.10 57.56 1ig4 s TRP 15 Cb 0.00 -3.68 -0.03 0.00 -1.15 0.00 0.00 33.47 28.61 1ig4 s TRP 15 CO 0.00 -2.56 -0.05 0.15 0.02 0.00 0.00 176.95 174.51 1ig4 s LYS 16 N -2.94 0.55 -0.02 4.98 -0.14 -0.99 -2.77 119.74 118.41 1ig4 s LYS 16 Ca 0.71 -0.93 0.03 0.00 -1.36 0.00 0.00 55.97 54.43 1ig4 s LYS 16 Cb -0.37 -0.06 -0.00 0.00 -1.68 0.00 0.00 37.83 35.72 1ig4 s LYS 16 CO 0.43 -0.02 -0.11 0.50 -0.76 0.00 0.00 175.35 175.39 1ig4 s ARG 17 N -2.48 1.02 -0.01 1.68 3.52 0.16 -2.03 118.95 120.80 1ig4 s ARG 17 Ca -0.04 -0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1ig4 s ARG 17 Cb -0.03 -0.96 0.02 0.00 -1.56 0.00 0.00 34.95 32.42 1ig4 s ARG 17 CO -0.03 0.19 0.02 0.50 -0.81 0.00 0.00 175.30 175.17 1ig4 s ARG 18 N -0.05 -0.02 -0.14 5.12 6.06 -0.03 -0.12 118.95 129.78 1ig4 s ARG 18 Ca 0.01 0.13 -0.08 0.00 -2.50 0.00 0.00 55.73 53.28 1ig4 s ARG 18 Cb -0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 34.95 34.74 1ig4 s ARG 18 CO 0.00 -0.11 0.15 -1.21 -2.50 0.00 0.00 175.30 171.64 1ig4 s GLU 19 N 0.70 3.68 -0.33 5.12 2.02 -1.26 0.13 118.70 128.76 1ig4 s GLU 19 Ca -0.06 -0.12 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 1ig4 s GLU 19 Cb -0.08 -3.26 0.08 0.00 0.10 0.00 0.00 34.13 30.97 1ig4 s GLU 19 CO -0.02 0.63 0.06 0.08 0.02 0.00 0.00 175.26 176.03 1ig4 s VAL 20 N -0.62 2.82 -0.19 2.63 1.01 0.22 -4.93 120.40 121.34 1ig4 s VAL 20 Ca 0.14 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.30 1ig4 s VAL 20 Cb -0.12 -2.81 0.15 0.00 0.00 0.00 0.00 36.38 33.60 1ig4 s VAL 20 CO 0.03 -0.37 1.86 0.49 0.00 0.00 0.00 175.10 177.11 1ig4 n PHE 21 N 4.51 0.98 -1.07 5.22 3.72 -1.26 -0.18 117.46 129.38 1ig4 n PHE 21 Ca -0.06 -1.47 0.11 0.00 -0.05 0.00 0.00 57.45 55.97 1ig4 n PHE 21 Cb 0.42 -0.72 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 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 0.60 -1.96 0.00 -1.08 5.12 -0.90 -4.00 116.66 114.44 1ig4 n ARG 22 Ca 0.19 1.58 0.00 0.00 -1.93 0.00 0.00 57.85 57.69 1ig4 n ARG 22 Cb 0.61 -2.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.40 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 -3.71 1.26 -3.68 5.56 3.00 -1.26 -4.64 118.16 114.69 1ig4 n LYS 23 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1ig4 n LYS 23 Cb 0.46 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.69 1ig4 n LYS 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ig4 n SER 24 N -1.71 0.00 0.00 3.14 3.41 -1.26 -4.93 113.62 112.28 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ig4 n SER 24 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ig4 n GLY 25 N -0.02 2.82 0.00 5.00 0.00 -1.26 -4.27 105.19 107.46 1ig4 n GLY 25 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.39 4.61 0.00 -1.26 -4.91 120.51 120.34 1ig4 n ALA 26 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ig4 n ALA 26 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 0.24 -1.59 0.00 -2.24 -1.26 -4.93 114.28 104.50 1ig4 n THR 27 Ca 0.00 -0.26 -0.49 0.00 -2.27 0.00 0.00 64.05 61.03 1ig4 n THR 27 Cb 0.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 2.26 0.25 3.71 0.00 0.00 -1.26 -4.98 105.19 105.17 1ig4 n GLY 29 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.91 4.31 -0.25 1.61 3.00 -0.79 -4.90 118.95 121.02 1ig4 s ARG 30 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 55.73 56.09 1ig4 s ARG 30 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 34.95 31.44 1ig4 s ARG 30 CO 0.00 0.08 0.18 -1.54 0.00 0.00 0.00 175.30 174.02 1ig4 s SER 31 N 0.76 6.12 -0.09 0.23 1.04 -1.25 -2.11 113.70 118.39 1ig4 s SER 31 Ca 0.26 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.84 1ig4 s SER 31 Cb -0.15 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.86 1ig4 s SER 31 CO 0.11 0.03 -0.18 -1.81 0.98 0.00 0.00 173.24 172.36 1ig4 s ASP 32 N 1.19 2.49 -0.30 7.02 1.11 0.75 -4.89 116.67 124.03 1ig4 s ASP 32 Ca 0.08 -0.44 -0.13 0.00 0.18 0.00 0.00 52.55 52.24 1ig4 s ASP 32 Cb -0.14 -1.14 -0.04 0.00 1.07 0.00 0.00 42.92 42.67 1ig4 s ASP 32 CO 0.06 0.10 0.27 -0.89 1.18 0.00 0.00 175.17 175.89 1ig4 s THR 33 N 0.52 5.25 0.12 -1.27 2.01 -1.26 0.71 115.64 121.71 1ig4 s THR 33 Ca -0.16 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1ig4 s THR 33 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1ig4 s THR 33 CO 0.06 0.14 0.21 -0.31 -0.69 0.00 0.00 174.62 174.03 1ig4 s TYR 34 N 1.87 3.39 0.01 4.92 1.51 0.12 -4.69 117.35 124.48 1ig4 s TYR 34 Ca 0.10 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1ig4 s TYR 34 Cb -0.16 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1ig4 s TYR 34 CO 0.11 0.53 -0.02 0.71 -1.11 0.00 0.00 175.55 175.78 1ig4 s TYR 35 N -1.65 0.14 -0.04 2.71 1.51 -0.42 -0.85 117.35 118.76 1ig4 s TYR 35 Ca 0.33 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 1ig4 s TYR 35 Cb -0.11 -0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.61 1ig4 s TYR 35 CO 0.27 -0.07 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.45 1ig4 s GLN 36 N -0.60 2.75 0.68 -0.62 0.74 -0.86 -0.46 119.66 121.30 1ig4 s GLN 36 Ca -0.06 -0.58 -0.10 0.00 0.05 0.00 0.00 55.36 54.66 1ig4 s GLN 36 Cb -0.04 -2.62 0.16 0.00 1.10 0.00 0.00 33.01 31.61 1ig4 s GLN 36 CO -0.00 0.65 0.36 -1.13 -0.55 0.00 0.00 175.29 174.61 1ig4 n SER 37 N 1.84 -2.70 -0.04 6.67 3.41 0.44 -2.34 113.62 120.91 1ig4 n SER 37 Ca -0.17 -0.36 0.14 0.00 -0.26 0.00 0.00 58.87 58.22 1ig4 n SER 37 Cb 0.53 -0.48 0.55 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.69 0.27 -2.54 4.33 -0.04 -1.26 -3.59 135.00 129.49 1ig4 n PRO 38 Ca 0.06 -0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1ig4 n PRO 38 Cb 0.25 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.29 0.00 0.00 0.52 5.66 -1.26 -4.31 114.28 113.59 1ig4 n THR 39 Ca 0.10 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1ig4 n THR 39 Cb 0.31 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 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 -0.66 1.08 0.00 1.09 0.00 -1.26 -5.15 105.19 100.28 1ig4 n GLY 40 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.64 1.61 8.00 -1.26 -4.88 116.55 115.38 1ig4 n ASP 41 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1ig4 n ASP 41 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ig4 s ARG 42 N 0.00 4.04 0.09 -1.24 1.81 -1.26 -0.42 118.95 121.97 1ig4 s ARG 42 Ca 0.00 1.06 0.07 0.00 -1.72 0.00 0.00 55.73 55.14 1ig4 s ARG 42 Cb 0.00 -3.76 -0.04 0.00 -0.45 0.00 0.00 34.95 30.71 1ig4 s ARG 42 CO 0.00 -0.94 -0.10 0.42 -0.68 0.00 0.00 175.30 174.00 1ig4 s ILE 43 N 3.75 3.35 0.00 1.52 1.01 0.39 -4.96 121.20 126.27 1ig4 s ILE 43 Ca 0.46 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1ig4 s ILE 43 Cb -0.12 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1ig4 s ILE 43 CO 0.17 0.16 0.31 0.54 0.00 0.00 0.00 174.94 176.12 1ig4 n ARG 44 N 0.85 0.14 -0.32 2.79 1.74 -1.26 -1.30 116.66 119.31 1ig4 n ARG 44 Ca -0.14 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 1ig4 n ARG 44 Cb 0.52 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 1ig4 n ARG 44 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ig4 n SER 45 N -0.04 0.00 -0.03 0.55 7.64 -1.26 -4.77 113.62 115.71 1ig4 n SER 45 Ca 0.00 -0.27 -0.15 0.00 1.01 0.00 0.00 58.87 59.46 1ig4 n SER 45 Cb 0.30 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.15 0.04 1.43 3.64 -1.98 -2.70 116.57 117.16 1ig4 h LYS 46 Ca 0.00 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ig4 h LYS 46 Cb 0.00 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1ig4 h LYS 46 CO 0.00 0.85 -0.26 0.28 -2.27 0.00 0.00 179.45 178.05 1ig4 h VAL 47 N -0.49 0.42 -0.86 2.00 2.07 -1.97 0.88 116.25 118.31 1ig4 h VAL 47 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1ig4 h VAL 47 Cb 0.90 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1ig4 h VAL 47 CO 0.04 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.74 1ig4 h GLU 48 N -0.42 0.59 -0.23 1.57 4.39 -1.96 0.21 114.58 118.73 1ig4 h GLU 48 Ca 0.05 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1ig4 h GLU 48 Cb 0.49 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1ig4 h GLU 48 CO -0.20 0.39 -0.00 1.25 -1.16 0.00 0.00 179.01 179.29 1ig4 h LEU 49 N 0.60 0.39 -1.90 1.33 5.85 -0.85 -1.99 115.31 118.74 1ig4 h LEU 49 Ca 0.48 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ig4 h LEU 49 Cb 0.71 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1ig4 h LEU 49 CO -0.38 0.61 0.00 0.74 -0.34 0.00 0.00 178.44 179.06 1ig4 h THR 50 N 0.17 0.00 0.06 1.05 2.02 0.30 -2.83 112.91 113.68 1ig4 h THR 50 Ca 0.06 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ig4 h THR 50 Cb 0.41 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1ig4 h THR 50 CO 0.01 0.00 -0.03 0.03 0.37 0.00 0.00 175.52 175.90 1ig4 h ARG 51 N 0.00 -0.08 -0.57 6.66 2.47 0.08 0.16 114.38 123.10 1ig4 h ARG 51 Ca 0.00 0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.89 1ig4 h ARG 51 Cb 0.05 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1ig4 h ARG 51 CO 0.00 -0.05 0.47 -0.92 0.56 0.00 0.00 179.97 180.03 1ig4 h TYR 52 N -0.81 0.00 0.00 3.04 5.03 -1.43 0.16 116.97 122.95 1ig4 h TYR 52 Ca -0.01 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1ig4 h TYR 52 Cb 0.06 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1ig4 h TYR 52 CO 0.00 0.00 -1.38 1.28 -1.32 0.00 0.00 178.16 176.74 1ig4 n LEU 53 N -4.09 0.69 0.00 2.82 4.77 -1.08 -5.08 117.00 115.03 1ig4 n LEU 53 Ca 0.11 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1ig4 n LEU 53 Cb 0.70 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1ig4 n LEU 53 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1ig4 n GLY 54 N 1.31 2.74 0.18 -0.72 0.00 0.55 -4.45 105.19 104.80 1ig4 n GLY 54 Ca -0.06 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.82 -2.81 132.00 129.11 1ig4 h PRO 55 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 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 0.41 -0.09 0.00 -0.23 0.00 0.00 178.00 178.10 1ig4 h ALA 56 N 1.59 0.96 -1.64 -0.56 0.00 -1.88 -3.36 119.26 114.36 1ig4 h ALA 56 Ca -0.00 -0.08 -0.77 0.00 0.00 0.00 0.00 54.91 54.06 1ig4 h ALA 56 Cb 0.89 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.45 1ig4 h ALA 56 CO 0.05 0.11 1.28 0.00 0.00 0.00 0.00 179.25 180.69 1ig4 n ASP 58 N 3.49 0.19 -2.55 0.00 9.92 -1.26 -4.73 116.55 121.59 1ig4 n ASP 58 Ca 0.33 0.40 -0.11 0.00 -0.53 0.00 0.00 54.79 54.88 1ig4 n ASP 58 Cb 0.38 -1.46 0.03 0.00 -0.64 0.00 0.00 41.12 39.42 1ig4 n ASP 58 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ig4 n LEU 59 N -4.15 2.77 0.15 0.64 4.77 -1.26 -4.86 117.00 115.07 1ig4 n LEU 59 Ca 0.12 -3.89 0.18 0.00 -0.03 0.00 0.00 56.01 52.39 1ig4 n LEU 59 Cb 0.52 0.14 0.79 0.00 -2.33 0.00 0.00 43.42 42.54 1ig4 n LEU 59 CO 0.49 1.57 1.16 0.74 -1.33 0.00 0.00 177.39 180.03 1ig4 h THR 60 N 3.79 0.44 0.00 -5.08 2.02 -2.02 0.23 112.91 112.29 1ig4 h THR 60 Ca 0.05 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 1ig4 h THR 60 Cb 1.27 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1ig4 h THR 60 CO 0.48 0.00 -0.56 -0.07 0.37 0.00 0.00 175.52 175.75 1ig4 h LEU 61 N 0.00 0.00 -9.18 2.58 3.38 -1.94 -3.44 115.31 106.70 1ig4 h LEU 61 Ca 0.13 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.55 1ig4 h LEU 61 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1ig4 h LEU 61 CO -0.00 0.45 1.09 0.12 0.09 0.00 0.00 178.44 180.19 1ig4 s PHE 62 N -2.99 2.06 -0.43 1.13 5.36 0.80 -4.14 117.98 119.78 1ig4 s PHE 62 Ca 0.03 0.36 -0.25 0.00 -0.96 0.00 0.00 56.93 56.12 1ig4 s PHE 62 Cb 0.07 -3.90 0.02 0.00 -0.34 0.00 0.00 43.02 38.88 1ig4 s PHE 62 CO 0.75 -3.43 0.90 -0.51 -1.46 0.00 0.00 175.22 171.46 1ig4 s ASP 63 N 3.60 6.54 0.27 6.13 1.01 -1.12 -4.92 116.67 128.18 1ig4 s ASP 63 Ca 0.72 0.24 -0.00 0.00 0.71 0.00 0.00 52.55 54.21 1ig4 s ASP 63 Cb -0.30 -2.44 0.59 0.00 1.01 0.00 0.00 42.92 41.77 1ig4 s ASP 63 CO 0.28 -0.96 1.72 0.15 0.21 0.00 0.00 175.17 176.58 1ig4 h PHE 64 N 8.86 0.61 0.13 4.23 3.57 -1.93 0.96 116.94 133.37 1ig4 h PHE 64 Ca -0.24 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 1ig4 h PHE 64 Cb 1.08 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1ig4 h PHE 64 CO 0.85 0.03 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.68 1ig4 h LYS 65 N 0.46 -0.16 0.07 1.11 1.63 -1.95 -3.36 116.57 114.36 1ig4 h LYS 65 Ca 0.49 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1ig4 h LYS 65 Cb 0.82 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1ig4 h LYS 65 CO -0.46 0.26 -0.04 1.96 -3.45 0.00 0.00 179.45 177.73 1ig4 h GLN 66 N -0.93 -0.10 -1.65 1.90 4.20 -1.91 -3.48 115.11 113.14 1ig4 h GLN 66 Ca -0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ig4 h GLN 66 Cb 0.50 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1ig4 h GLN 66 CO 0.03 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.75 1ig4 n GLY 67 N -0.49 0.56 3.40 3.46 0.00 0.33 -5.01 105.19 107.45 1ig4 n GLY 67 Ca -0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.54 0.03 -0.85 -0.61 -4.36 -1.26 -3.57 121.20 108.04 1ig4 s ILE 68 Ca 0.00 -0.22 -0.10 0.00 -0.26 0.00 0.00 60.65 60.07 1ig4 s ILE 68 Cb 0.00 -0.99 0.22 0.00 1.25 0.00 0.00 42.46 42.94 1ig4 s ILE 68 CO 0.00 -0.12 0.77 -0.76 0.24 0.00 0.00 174.94 175.07 1ig4 s LEU 69 N -2.05 6.31 0.10 0.37 1.43 -1.26 -2.79 118.68 120.78 1ig4 s LEU 69 Ca -0.05 -2.99 -0.27 0.00 -1.03 0.00 0.00 54.13 49.80 1ig4 s LEU 69 Cb -0.01 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.00 1ig4 s LEU 69 CO -0.03 -0.45 1.44 0.00 0.23 0.00 0.00 176.35 177.55 1ig4 n TYR 71 N -4.86 -2.42 -2.37 0.00 9.36 -1.26 -4.87 117.16 110.74 1ig4 n TYR 71 Ca -0.04 1.06 -0.42 0.00 3.32 0.00 0.00 57.90 61.82 1ig4 n TYR 71 Cb 0.29 -2.79 -0.03 0.00 -0.63 0.00 0.00 39.34 36.18 1ig4 n TYR 71 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1ig4 s PRO 72 N -1.51 4.44 -0.46 2.98 0.04 -1.26 -4.96 135.00 134.27 1ig4 s PRO 72 Ca 0.04 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.02 1ig4 s PRO 72 Cb -0.01 -3.29 0.37 0.00 0.04 0.00 0.00 34.50 31.61 1ig4 s PRO 72 CO 0.50 -0.22 0.90 0.00 0.04 0.00 0.00 177.00 178.22 1ig4 n ALA 73 N 3.41 3.73 -1.76 8.56 0.00 -1.26 -5.08 120.51 128.10 1ig4 n ALA 73 Ca 0.08 -4.04 -0.40 0.00 0.00 0.00 0.00 53.44 49.08 1ig4 n ALA 73 Cb 0.45 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1ig4 n ALA 73 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ig4 s PRO 74 N -3.11 4.46 0.00 0.00 0.04 -1.26 -5.36 135.00 129.77 1ig4 s PRO 74 Ca 0.43 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1ig4 s PRO 74 Cb 0.34 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1ig4 s PRO 74 CO -0.11 0.04 0.00 1.63 0.04 0.00 0.00 177.00 178.60