#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig4 s ALA 2 N 0.00 2.74 0.00 3.17 0.00 -1.26 -4.91 121.76 121.50 1ig4 s ALA 2 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1ig4 s ALA 2 Cb 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1ig4 s ALA 2 CO 0.00 -3.42 0.94 0.39 0.00 0.00 0.00 175.76 173.67 1ig4 n GLU 3 N 9.13 0.00 -3.49 0.00 4.71 -1.26 -4.80 120.64 124.93 1ig4 n GLU 3 Ca 0.16 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.12 1ig4 n GLU 3 Cb 0.50 -1.44 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 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 -2.75 -0.65 -0.23 1.62 -1.08 -1.26 -5.09 116.67 107.23 1ig4 s ASP 4 Ca 0.00 0.92 -0.03 0.00 -0.52 0.00 0.00 52.55 52.93 1ig4 s ASP 4 Cb 0.00 1.64 0.01 0.00 -1.46 0.00 0.00 42.92 43.11 1ig4 s ASP 4 CO 0.00 -0.13 -0.06 0.26 0.52 0.00 0.00 175.17 175.76 1ig4 s TRP 5 N 2.25 3.00 0.27 -5.34 0.52 -1.26 -4.18 118.94 114.19 1ig4 s TRP 5 Ca -0.05 -1.30 0.09 0.00 0.02 0.00 0.00 56.10 54.86 1ig4 s TRP 5 Cb -0.06 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 1ig4 s TRP 5 CO -0.17 -0.66 0.06 -0.51 0.02 0.00 0.00 176.95 175.69 1ig4 s LEU 6 N 1.39 3.35 0.99 2.99 1.43 0.15 -4.86 118.68 124.11 1ig4 s LEU 6 Ca 0.03 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1ig4 s LEU 6 Cb -0.15 -1.87 0.18 0.00 0.03 0.00 0.00 46.19 44.38 1ig4 s LEU 6 CO -0.04 -0.04 1.09 -1.81 0.23 0.00 0.00 176.35 175.77 1ig4 s ASP 7 N -3.73 2.53 -0.40 2.29 1.11 -1.26 0.57 116.67 117.78 1ig4 s ASP 7 Ca 0.32 1.68 0.03 0.00 0.18 0.00 0.00 52.55 54.77 1ig4 s ASP 7 Cb -0.06 -2.32 0.16 0.00 1.07 0.00 0.00 42.92 41.77 1ig4 s ASP 7 CO 0.21 -3.26 0.38 0.00 1.18 0.00 0.00 175.17 173.68 1ig4 n PRO 9 N 3.49 0.09 0.16 0.00 -0.04 -1.25 -3.42 135.00 134.02 1ig4 n PRO 9 Ca 0.20 0.16 0.19 0.00 -0.04 0.00 0.00 63.50 64.01 1ig4 n PRO 9 Cb 0.46 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.21 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 2.70 1.94 0.00 0.55 0.00 -1.80 -3.36 119.26 119.30 1ig4 h ALA 10 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ig4 h ALA 10 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ig4 h ALA 10 CO 0.00 -0.46 -0.01 1.28 0.00 0.00 0.00 179.25 180.06 1ig4 n LEU 11 N -3.74 0.06 0.00 0.00 4.32 -1.22 -3.92 117.00 112.50 1ig4 n LEU 11 Ca 0.04 0.01 -0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1ig4 n LEU 11 Cb 0.46 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1ig4 n LEU 11 CO 0.27 -0.51 0.09 0.61 -1.22 0.00 0.00 177.39 176.63 1ig4 n GLY 12 N 3.24 0.99 3.61 -0.72 0.00 -1.25 -5.09 105.19 105.96 1ig4 n GLY 12 Ca -0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 3.58 0.00 1.61 0.04 -1.26 -3.31 135.00 133.66 1ig4 s PRO 13 Ca 0.02 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1ig4 s PRO 13 Cb -0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1ig4 s PRO 13 CO 0.00 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1ig4 n GLY 14 N 5.04 4.53 3.73 0.56 0.00 -1.26 -4.83 105.19 112.96 1ig4 n GLY 14 Ca 0.18 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 2.11 0.06 1.61 0.52 -1.21 -4.15 118.94 117.88 1ig4 s TRP 15 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.61 1ig4 s TRP 15 Cb 0.00 -3.70 -0.03 0.00 -1.15 0.00 0.00 33.47 28.59 1ig4 s TRP 15 CO 0.00 -2.89 -0.07 0.21 0.02 0.00 0.00 176.95 174.22 1ig4 s LYS 16 N -3.33 0.59 0.01 4.98 2.47 -0.99 -2.78 119.74 120.70 1ig4 s LYS 16 Ca 0.81 -0.93 0.07 0.00 -1.56 0.00 0.00 55.97 54.36 1ig4 s LYS 16 Cb -0.38 -0.20 -0.02 0.00 -1.46 0.00 0.00 37.83 35.78 1ig4 s LYS 16 CO 0.40 0.01 -0.20 0.50 0.16 0.00 0.00 175.35 176.22 1ig4 s ARG 17 N -2.33 1.50 -0.01 4.03 3.52 0.19 -1.79 118.95 124.07 1ig4 s ARG 17 Ca -0.04 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 1ig4 s ARG 17 Cb -0.05 -1.53 0.01 0.00 -1.56 0.00 0.00 34.95 31.82 1ig4 s ARG 17 CO -0.02 0.41 -0.03 0.50 -0.81 0.00 0.00 175.30 175.35 1ig4 s ARG 18 N -0.81 0.32 -0.17 5.12 3.52 0.16 0.31 118.95 127.40 1ig4 s ARG 18 Ca 0.07 -0.08 -0.09 0.00 -0.13 0.00 0.00 55.73 55.50 1ig4 s ARG 18 Cb -0.08 -0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 32.90 1ig4 s ARG 18 CO 0.00 0.02 0.15 -1.21 -0.81 0.00 0.00 175.30 173.46 1ig4 s GLU 19 N 0.21 3.95 -0.33 5.12 2.02 -1.26 0.32 118.70 128.73 1ig4 s GLU 19 Ca -0.02 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.84 1ig4 s GLU 19 Cb -0.05 -3.34 0.09 0.00 0.10 0.00 0.00 34.13 30.93 1ig4 s GLU 19 CO -0.00 0.46 0.04 0.08 0.02 0.00 0.00 175.26 175.86 1ig4 s VAL 20 N -0.11 2.52 -0.24 2.63 1.01 0.17 -4.86 120.40 121.51 1ig4 s VAL 20 Ca 0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 61.98 59.99 1ig4 s VAL 20 Cb -0.12 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 1ig4 s VAL 20 CO 0.01 -0.45 3.05 0.33 0.00 0.00 0.00 175.10 178.04 1ig4 n PHE 21 N 4.39 0.87 -0.75 5.22 -0.00 -1.26 -0.14 117.46 125.79 1ig4 n PHE 21 Ca -0.02 -1.72 0.08 0.00 -0.00 0.00 0.00 57.45 55.79 1ig4 n PHE 21 Cb 0.42 -1.41 -0.02 0.00 -0.00 0.00 0.00 39.48 38.46 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ig4 n ARG 22 N 1.54 -1.31 0.00 -4.13 5.12 -0.64 -4.37 116.66 112.87 1ig4 n ARG 22 Ca 0.43 0.91 0.00 0.00 -1.93 0.00 0.00 57.85 57.27 1ig4 n ARG 22 Cb 0.70 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 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 -2.48 0.03 -3.50 5.56 3.00 -1.26 -4.81 118.16 114.69 1ig4 n LYS 23 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ig4 n LYS 23 Cb 0.58 -0.52 0.00 0.00 0.00 0.00 0.00 35.03 35.09 1ig4 n LYS 23 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ig4 n SER 24 N -1.29 0.00 0.00 3.14 7.64 -1.26 -4.97 113.62 116.88 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ig4 n SER 24 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ig4 n GLY 25 N -0.12 0.88 0.88 0.23 0.00 -1.26 -4.05 105.19 101.76 1ig4 n GLY 25 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.72 1.49 1.20 4.61 0.00 -1.26 -4.82 120.51 122.45 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 0.61 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.94 0.20 -1.39 0.00 -2.24 -1.26 -4.88 114.28 102.78 1ig4 n THR 27 Ca 0.00 0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 1ig4 n THR 27 Cb 0.00 -0.67 0.04 0.00 -2.10 0.00 0.00 70.33 67.59 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 1.93 3.40 3.89 0.00 0.00 -1.26 -4.99 105.19 108.16 1ig4 n GLY 29 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.92 3.51 -0.40 1.61 0.52 -1.15 -4.89 118.95 117.23 1ig4 s ARG 30 Ca 0.00 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 55.67 1ig4 s ARG 30 Cb 0.00 -2.23 0.11 0.00 0.52 0.00 0.00 34.95 33.35 1ig4 s ARG 30 CO 0.00 -0.42 0.14 -1.54 0.02 0.00 0.00 175.30 173.51 1ig4 s SER 31 N -4.16 4.38 -0.20 0.23 1.04 -1.26 -1.62 113.70 112.12 1ig4 s SER 31 Ca 0.51 -2.41 -0.10 0.00 0.48 0.00 0.00 55.95 54.43 1ig4 s SER 31 Cb -0.11 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.52 1ig4 s SER 31 CO 0.49 -0.32 0.14 -1.81 0.98 0.00 0.00 173.24 172.71 1ig4 s ASP 32 N 0.57 6.20 -0.20 7.02 1.01 0.80 -4.81 116.67 127.27 1ig4 s ASP 32 Ca 0.14 0.22 -0.11 0.00 0.71 0.00 0.00 52.55 53.51 1ig4 s ASP 32 Cb -0.22 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1ig4 s ASP 32 CO -0.07 0.17 0.18 -0.89 0.21 0.00 0.00 175.17 174.77 1ig4 s THR 33 N 0.44 5.37 0.16 -1.27 2.01 -1.26 0.42 115.64 121.51 1ig4 s THR 33 Ca 0.08 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.42 1ig4 s THR 33 Cb -0.11 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1ig4 s THR 33 CO -0.01 0.40 0.05 -0.31 -0.69 0.00 0.00 174.62 174.06 1ig4 s TYR 34 N 0.60 2.98 0.02 4.92 1.51 0.15 -4.82 117.35 122.71 1ig4 s TYR 34 Ca 0.10 -0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1ig4 s TYR 34 Cb -0.12 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1ig4 s TYR 34 CO 0.01 0.52 -0.02 0.71 -1.11 0.00 0.00 175.55 175.66 1ig4 s TYR 35 N -1.69 0.21 0.11 2.71 1.51 -0.84 0.37 117.35 119.73 1ig4 s TYR 35 Ca 0.29 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1ig4 s TYR 35 Cb -0.10 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 1ig4 s TYR 35 CO 0.20 -0.16 0.05 -1.14 -1.11 0.00 0.00 175.55 173.40 1ig4 s GLN 36 N -1.23 2.72 0.60 -0.62 0.74 -0.74 -0.66 119.66 120.47 1ig4 s GLN 36 Ca -0.13 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.37 1ig4 s GLN 36 Cb -0.08 -2.61 0.15 0.00 1.10 0.00 0.00 33.01 31.56 1ig4 s GLN 36 CO -0.01 0.53 0.33 -1.13 -0.55 0.00 0.00 175.29 174.46 1ig4 n SER 37 N 0.30 -2.67 0.04 6.67 3.41 0.24 -2.34 113.62 119.27 1ig4 n SER 37 Ca -0.09 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.31 1ig4 n SER 37 Cb 0.53 -0.42 0.41 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.93 0.12 -2.18 4.33 -0.04 -1.26 -3.44 135.00 129.61 1ig4 n PRO 38 Ca 0.05 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1ig4 n PRO 38 Cb 0.23 -1.61 0.08 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.80 0.00 0.00 0.52 5.66 -1.26 -4.35 114.28 113.05 1ig4 n THR 39 Ca 0.06 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1ig4 n THR 39 Cb 0.38 0.79 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 -0.93 1.27 0.00 1.09 0.00 -1.26 -5.16 105.19 100.19 1ig4 n GLY 40 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.66 1.61 8.00 -1.26 -4.89 116.55 115.35 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 4.24 0.03 -1.24 3.00 -1.26 0.81 118.95 124.53 1ig4 s ARG 42 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 55.73 57.10 1ig4 s ARG 42 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 34.95 31.26 1ig4 s ARG 42 CO 0.00 -0.67 -0.06 0.42 0.00 0.00 0.00 175.30 174.99 1ig4 s ILE 43 N 3.26 3.65 0.00 1.52 1.09 0.16 -4.91 121.20 125.98 1ig4 s ILE 43 Ca 0.44 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 59.11 1ig4 s ILE 43 Cb -0.15 -2.63 0.00 0.00 -1.06 0.00 0.00 42.46 38.63 1ig4 s ILE 43 CO 0.07 0.31 0.27 0.54 -0.10 0.00 0.00 174.94 176.03 1ig4 n ARG 44 N 1.29 0.45 -0.26 2.79 1.74 -1.26 -1.98 116.66 119.43 1ig4 n ARG 44 Ca -0.14 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 1ig4 n ARG 44 Cb 0.52 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.14 0.00 -0.02 0.55 7.64 -1.26 -4.82 113.62 115.57 1ig4 n SER 45 Ca 0.00 -0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.50 1ig4 n SER 45 Cb 0.06 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.17 -0.34 1.43 3.64 -1.98 -2.93 116.57 116.56 1ig4 h LYS 46 Ca 0.00 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1ig4 h LYS 46 Cb 0.00 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1ig4 h LYS 46 CO 0.00 1.04 -0.10 0.28 -2.27 0.00 0.00 179.45 178.40 1ig4 h VAL 47 N -0.58 0.63 -0.91 2.00 2.07 -1.98 0.57 116.25 118.04 1ig4 h VAL 47 Ca -0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.64 1ig4 h VAL 47 Cb 1.19 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1ig4 h VAL 47 CO 0.07 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.17 1ig4 h GLU 48 N -0.02 0.56 -0.43 1.57 4.22 -1.96 0.53 114.58 119.04 1ig4 h GLU 48 Ca 0.17 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.47 1ig4 h GLU 48 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ig4 h GLU 48 CO -0.36 0.37 -0.11 1.25 -2.18 0.00 0.00 179.01 177.98 1ig4 h LEU 49 N 0.57 0.84 -2.19 1.64 5.85 0.07 -2.15 115.31 119.94 1ig4 h LEU 49 Ca 0.48 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ig4 h LEU 49 Cb 0.95 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1ig4 h LEU 49 CO -0.22 1.01 -0.04 0.74 -0.34 0.00 0.00 178.44 179.59 1ig4 h THR 50 N 0.67 0.20 0.29 1.05 2.02 0.45 -2.56 112.91 115.04 1ig4 h THR 50 Ca 0.11 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1ig4 h THR 50 Cb 0.65 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1ig4 h THR 50 CO 0.04 0.04 -0.14 0.03 0.37 0.00 0.00 175.52 175.86 1ig4 h ARG 51 N 0.00 -0.38 -0.48 6.66 3.08 -0.17 -0.76 114.38 122.33 1ig4 h ARG 51 Ca -0.00 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1ig4 h ARG 51 Cb 0.25 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1ig4 h ARG 51 CO 0.01 -0.08 0.32 -0.92 -1.07 0.00 0.00 179.97 178.22 1ig4 h TYR 52 N -0.99 0.44 0.00 3.04 5.03 -1.41 0.25 116.97 123.32 1ig4 h TYR 52 Ca -0.04 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1ig4 h TYR 52 Cb 0.47 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1ig4 h TYR 52 CO 0.04 0.24 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.01 1ig4 h LEU 53 N 0.44 0.00 0.00 2.82 3.38 -1.48 -3.49 115.31 116.98 1ig4 h LEU 53 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ig4 h LEU 53 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ig4 h LEU 53 CO -0.05 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1ig4 n GLY 54 N 1.26 2.70 0.23 0.83 0.00 0.07 -4.54 105.19 105.75 1ig4 n GLY 54 Ca 0.05 -1.87 0.16 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.80 1.61 0.13 -1.81 -2.58 132.00 128.55 1ig4 h PRO 55 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1ig4 h PRO 55 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1ig4 h PRO 55 CO 0.00 0.00 0.26 0.00 -0.23 0.00 0.00 178.00 178.03 1ig4 n ALA 56 N -1.99 4.40 -3.69 -0.56 0.00 -1.26 -4.72 120.51 112.69 1ig4 n ALA 56 Ca 0.01 -2.06 -0.30 0.00 0.00 0.00 0.00 53.44 51.10 1ig4 n ALA 56 Cb 0.27 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 0.76 5.20 -0.39 0.00 1.11 -1.26 -4.67 116.67 117.42 1ig4 s ASP 58 Ca 0.16 0.99 0.09 0.00 0.18 0.00 0.00 52.55 53.97 1ig4 s ASP 58 Cb -0.23 -1.72 0.29 0.00 1.07 0.00 0.00 42.92 42.33 1ig4 s ASP 58 CO -0.06 -1.47 0.61 0.18 1.18 0.00 0.00 175.17 175.61 1ig4 n LEU 59 N -3.05 0.60 0.00 1.23 4.77 -1.26 -4.92 117.00 114.37 1ig4 n LEU 59 Ca 0.07 -4.84 0.15 0.00 -0.03 0.00 0.00 56.01 51.35 1ig4 n LEU 59 Cb 0.58 0.60 0.86 0.00 -2.33 0.00 0.00 43.42 43.14 1ig4 n LEU 59 CO 0.57 2.15 1.05 0.41 -1.33 0.00 0.00 177.39 180.24 1ig4 n THR 60 N 0.97 0.01 0.12 -5.08 -1.04 -1.26 -3.11 114.28 104.89 1ig4 n THR 60 Ca 0.23 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.27 1ig4 n THR 60 Cb 0.57 -0.53 0.04 0.00 -1.82 0.00 0.00 70.33 68.59 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 -1.05 1.78 -4.72 -4.42 4.77 -1.26 -4.99 117.00 107.10 1ig4 n LEU 61 Ca 0.21 -1.32 -0.39 0.00 -0.03 0.00 0.00 56.01 54.47 1ig4 n LEU 61 Cb 0.13 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1ig4 n LEU 61 CO 0.18 0.41 0.33 0.12 -1.33 0.00 0.00 177.39 177.09 1ig4 s PHE 62 N -0.63 3.58 -0.44 -1.77 5.36 -1.18 -2.56 117.98 120.33 1ig4 s PHE 62 Ca 0.08 1.16 -0.20 0.00 -0.96 0.00 0.00 56.93 57.01 1ig4 s PHE 62 Cb 0.05 -2.72 0.03 0.00 -0.34 0.00 0.00 43.02 40.04 1ig4 s PHE 62 CO 0.07 0.14 0.58 -0.51 -1.46 0.00 0.00 175.22 174.05 1ig4 s ASP 63 N 0.62 6.28 0.54 6.13 1.11 -1.01 -4.92 116.67 125.41 1ig4 s ASP 63 Ca 0.34 -0.49 0.23 0.00 0.18 0.00 0.00 52.55 52.81 1ig4 s ASP 63 Cb -0.17 -2.29 1.40 0.00 1.07 0.00 0.00 42.92 42.92 1ig4 s ASP 63 CO 0.16 -0.73 2.06 0.15 1.18 0.00 0.00 175.17 177.99 1ig4 h PHE 64 N 8.85 0.00 0.05 4.23 3.04 -1.95 0.20 116.94 131.35 1ig4 h PHE 64 Ca -0.26 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.47 1ig4 h PHE 64 Cb 1.10 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 1ig4 h PHE 64 CO 0.70 0.00 -1.16 -0.22 -2.02 0.00 0.00 178.31 175.61 1ig4 h LYS 65 N 0.00 0.11 0.10 1.11 1.63 -1.96 -3.41 116.57 114.14 1ig4 h LYS 65 Ca 0.15 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ig4 h LYS 65 Cb 0.61 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1ig4 h LYS 65 CO -0.00 1.09 -0.05 1.96 -3.45 0.00 0.00 179.45 179.00 1ig4 h GLN 66 N -0.68 -0.12 -0.05 1.90 7.50 -1.93 -3.49 115.11 118.24 1ig4 h GLN 66 Ca -0.28 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.88 1ig4 h GLN 66 Cb 1.47 0.03 0.00 0.00 0.05 0.00 0.00 27.48 29.03 1ig4 h GLN 66 CO -0.06 0.35 0.00 0.41 -1.50 0.00 0.00 178.83 178.03 1ig4 n GLY 67 N 1.06 0.57 3.37 3.46 0.00 0.69 -5.03 105.19 109.31 1ig4 n GLY 67 Ca -0.07 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.22 0.03 -1.14 -0.61 -4.36 -1.26 -2.51 121.20 110.14 1ig4 s ILE 68 Ca 0.00 -0.24 -0.09 0.00 -0.26 0.00 0.00 60.65 60.05 1ig4 s ILE 68 Cb 0.00 -0.79 0.26 0.00 1.25 0.00 0.00 42.46 43.18 1ig4 s ILE 68 CO 0.00 -0.13 1.22 0.18 0.24 0.00 0.00 174.94 176.45 1ig4 n LEU 69 N 1.20 5.58 0.00 0.37 4.77 -1.25 -2.40 117.00 125.27 1ig4 n LEU 69 Ca -0.20 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 1ig4 n LEU 69 Cb 0.56 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1ig4 n LEU 69 CO 0.22 1.28 0.00 0.00 -1.33 0.00 0.00 177.39 177.56 1ig4 n TYR 71 N 0.00 -2.02 -0.87 0.00 9.36 -1.26 -4.94 117.16 117.43 1ig4 n TYR 71 Ca 0.00 0.07 -0.28 0.00 3.32 0.00 0.00 57.90 61.00 1ig4 n TYR 71 Cb 0.00 0.53 0.22 0.00 -0.63 0.00 0.00 39.34 39.46 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 -2.00 -0.39 -0.29 2.98 0.04 -1.26 -5.02 135.00 129.06 1ig4 s PRO 72 Ca 0.00 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 1ig4 s PRO 72 Cb 0.00 -1.63 0.10 0.00 0.04 0.00 0.00 34.50 33.01 1ig4 s PRO 72 CO 0.00 -3.31 0.14 0.00 0.04 0.00 0.00 177.00 173.87 1ig4 s ALA 73 N -2.73 0.54 -0.48 8.56 0.00 -1.26 -5.09 121.76 121.31 1ig4 s ALA 73 Ca 0.67 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.31 1ig4 s ALA 73 Cb -0.21 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 1ig4 s ALA 73 CO 0.61 -1.66 1.63 -1.25 0.00 0.00 0.00 175.76 175.08 1ig4 s PRO 74 N 2.10 3.21 0.00 0.00 0.04 -1.26 -5.34 135.00 133.75 1ig4 s PRO 74 Ca 0.09 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1ig4 s PRO 74 Cb -0.16 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1ig4 s PRO 74 CO -0.36 -2.03 0.00 1.17 0.04 0.00 0.00 177.00 175.82