#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 -1.07 0.57 3.17 0.00 -1.26 -5.01 121.76 118.16 1ig4 s ALA 2 Ca 0.00 1.11 0.28 0.00 0.00 0.00 0.00 51.96 53.35 1ig4 s ALA 2 Cb 0.00 -1.51 1.50 0.00 0.00 0.00 0.00 23.12 23.11 1ig4 s ALA 2 CO 0.00 -1.05 1.96 0.93 0.00 0.00 0.00 175.76 177.61 1ig4 h GLU 3 N 8.19 0.00 -4.06 0.00 5.08 -2.04 -3.47 114.58 118.27 1ig4 h GLU 3 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1ig4 h GLU 3 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ig4 h GLU 3 CO 0.21 0.00 -0.88 -3.47 -1.00 0.00 0.00 179.01 173.87 1ig4 n ASP 4 N -3.93 -8.44 -4.72 1.42 -0.08 -1.26 -4.67 116.55 94.88 1ig4 n ASP 4 Ca 0.08 1.27 -0.42 0.00 -1.51 0.00 0.00 54.79 54.21 1ig4 n ASP 4 Cb 0.60 -4.74 -0.03 0.00 2.34 0.00 0.00 41.12 39.29 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 -0.57 3.69 0.26 -0.67 0.52 -1.26 -4.66 118.94 116.26 1ig4 s TRP 5 Ca 0.00 1.71 0.08 0.00 0.02 0.00 0.00 56.10 57.90 1ig4 s TRP 5 Cb 0.00 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 1ig4 s TRP 5 CO 0.00 -0.03 0.16 -0.51 0.02 0.00 0.00 176.95 176.58 1ig4 s LEU 6 N 0.68 3.64 0.77 2.99 1.43 0.17 -4.90 118.68 123.45 1ig4 s LEU 6 Ca 0.51 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1ig4 s LEU 6 Cb -0.22 -2.17 0.06 0.00 0.03 0.00 0.00 46.19 43.88 1ig4 s LEU 6 CO 0.29 -0.06 1.11 -1.81 0.23 0.00 0.00 176.35 176.11 1ig4 s ASP 7 N -3.82 4.36 -0.43 2.29 1.11 -1.26 0.43 116.67 119.35 1ig4 s ASP 7 Ca 0.33 1.95 0.03 0.00 0.18 0.00 0.00 52.55 55.04 1ig4 s ASP 7 Cb -0.07 -2.54 0.16 0.00 1.07 0.00 0.00 42.92 41.54 1ig4 s ASP 7 CO 0.24 -2.13 0.32 0.00 1.18 0.00 0.00 175.17 174.77 1ig4 n PRO 9 N 3.06 0.25 0.08 0.00 -0.04 -1.26 -3.73 135.00 133.36 1ig4 n PRO 9 Ca 0.23 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.70 1ig4 n PRO 9 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.34 0.00 0.55 0.00 -1.89 -3.35 119.26 117.03 1ig4 h ALA 10 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ig4 h ALA 10 Cb 0.15 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ig4 h ALA 10 CO 0.00 -0.74 -0.02 -0.07 0.00 0.00 0.00 179.25 178.42 1ig4 h LEU 11 N -0.39 0.00 0.00 0.00 4.07 -1.91 -3.39 115.31 113.69 1ig4 h LEU 11 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ig4 h LEU 11 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1ig4 h LEU 11 CO -0.17 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 177.92 1ig4 n GLY 12 N 1.91 0.99 3.75 0.83 0.00 -1.26 -5.10 105.19 106.31 1ig4 n GLY 12 Ca -0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 1.02 4.56 0.00 1.61 0.04 -1.26 -3.30 135.00 137.66 1ig4 s PRO 13 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1ig4 s PRO 13 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1ig4 s PRO 13 CO 0.00 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1ig4 n GLY 14 N 1.78 2.67 3.76 0.56 0.00 -1.26 -4.60 105.19 108.11 1ig4 n GLY 14 Ca 0.02 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.68 2.41 0.02 1.61 0.52 -1.21 -4.18 118.94 116.43 1ig4 s TRP 15 Ca 0.00 1.26 -0.00 0.00 0.02 0.00 0.00 56.10 57.38 1ig4 s TRP 15 Cb 0.00 -3.94 -0.02 0.00 -1.15 0.00 0.00 33.47 28.37 1ig4 s TRP 15 CO 0.00 -3.02 -0.02 0.15 0.02 0.00 0.00 176.95 174.08 1ig4 s LYS 16 N -2.51 0.26 0.05 4.98 3.01 -1.08 -2.48 119.74 121.97 1ig4 s LYS 16 Ca 0.62 -0.50 0.05 0.00 -1.01 0.00 0.00 55.97 55.13 1ig4 s LYS 16 Cb -0.44 0.09 -0.02 0.00 -1.01 0.00 0.00 37.83 36.45 1ig4 s LYS 16 CO 0.56 -0.04 -0.13 -0.98 0.51 0.00 0.00 175.35 175.27 1ig4 s ARG 17 N -1.20 0.84 0.03 1.68 1.70 0.17 -1.29 118.95 120.88 1ig4 s ARG 17 Ca -0.13 -0.81 0.03 0.00 -0.47 0.00 0.00 55.73 54.34 1ig4 s ARG 17 Cb -0.08 -0.83 -0.02 0.00 -0.57 0.00 0.00 34.95 33.45 1ig4 s ARG 17 CO -0.01 0.20 -0.08 0.50 -1.08 0.00 0.00 175.30 174.83 1ig4 s ARG 18 N -1.37 0.56 -0.01 3.89 3.52 0.16 0.42 118.95 126.13 1ig4 s ARG 18 Ca -0.01 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1ig4 s ARG 18 Cb -0.09 -0.42 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1ig4 s ARG 18 CO 0.02 0.09 0.16 -1.21 -0.81 0.00 0.00 175.30 173.55 1ig4 s GLU 19 N -1.20 3.36 -0.35 5.12 2.02 -1.26 -0.22 118.70 126.16 1ig4 s GLU 19 Ca -0.06 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1ig4 s GLU 19 Cb -0.08 -3.05 0.11 0.00 0.10 0.00 0.00 34.13 31.22 1ig4 s GLU 19 CO 0.00 0.67 0.15 0.08 0.02 0.00 0.00 175.26 176.18 1ig4 s VAL 20 N -1.30 0.93 -0.12 2.63 1.01 0.16 -4.87 120.40 118.84 1ig4 s VAL 20 Ca 0.27 -1.74 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1ig4 s VAL 20 Cb -0.12 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1ig4 s VAL 20 CO 0.18 -0.77 2.74 0.49 0.00 0.00 0.00 175.10 177.74 1ig4 n PHE 21 N 4.41 0.47 -1.08 5.22 3.72 -1.25 0.30 117.46 129.26 1ig4 n PHE 21 Ca 0.02 -1.48 0.11 0.00 -0.05 0.00 0.00 57.45 56.05 1ig4 n PHE 21 Cb 0.39 -1.12 -0.04 0.00 -0.94 0.00 0.00 39.48 37.77 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 1.61 -1.91 0.00 -1.08 5.12 -0.09 -4.15 116.66 116.16 1ig4 n ARG 22 Ca 0.28 1.45 0.00 0.00 -1.93 0.00 0.00 57.85 57.66 1ig4 n ARG 22 Cb 0.68 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 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 -3.46 0.96 -3.79 5.56 3.00 -1.26 -4.75 118.16 114.42 1ig4 n LYS 23 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1ig4 n LYS 23 Cb 0.58 -0.63 0.00 0.00 0.00 0.00 0.00 35.03 34.98 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 -0.96 0.00 0.00 3.14 7.64 -1.26 -4.96 113.62 117.22 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 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.00 2.15 0.01 0.23 0.00 -1.26 -4.08 105.19 102.24 1ig4 n GLY 25 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.71 4.61 0.00 -1.26 -4.91 120.51 120.66 1ig4 n ALA 26 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ig4 n ALA 26 Cb 0.00 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.71 0.02 -1.46 0.00 -2.24 -1.26 -4.91 114.28 103.72 1ig4 n THR 27 Ca 0.00 0.01 -0.57 0.00 -2.27 0.00 0.00 64.05 61.22 1ig4 n THR 27 Cb 0.00 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 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 1.54 1.99 3.85 0.00 0.00 -1.26 -4.99 105.19 106.32 1ig4 n GLY 29 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.37 3.99 -0.29 1.61 0.52 -1.01 -4.88 118.95 118.53 1ig4 s ARG 30 Ca 0.00 0.76 0.03 0.00 -0.52 0.00 0.00 55.73 56.00 1ig4 s ARG 30 Cb 0.00 -2.32 0.07 0.00 0.52 0.00 0.00 34.95 33.22 1ig4 s ARG 30 CO 0.00 0.01 -0.04 -1.54 0.02 0.00 0.00 175.30 173.75 1ig4 s SER 31 N -2.57 4.62 -0.17 0.23 1.04 -1.25 -0.91 113.70 114.68 1ig4 s SER 31 Ca 0.56 -1.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.28 1ig4 s SER 31 Cb -0.10 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 1ig4 s SER 31 CO 0.22 -0.27 -0.03 -1.81 0.98 0.00 0.00 173.24 172.33 1ig4 s ASP 32 N 1.07 4.74 -0.26 7.02 1.01 0.15 -4.83 116.67 125.56 1ig4 s ASP 32 Ca -0.01 -0.18 -0.12 0.00 0.71 0.00 0.00 52.55 52.95 1ig4 s ASP 32 Cb -0.20 -1.78 -0.05 0.00 1.01 0.00 0.00 42.92 41.90 1ig4 s ASP 32 CO -0.06 0.12 0.21 -0.89 0.21 0.00 0.00 175.17 174.77 1ig4 s THR 33 N 0.63 5.31 -0.00 -1.27 2.01 -1.26 0.35 115.64 121.41 1ig4 s THR 33 Ca -0.02 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1ig4 s THR 33 Cb -0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1ig4 s THR 33 CO 0.02 0.27 0.03 -0.31 -0.69 0.00 0.00 174.62 173.95 1ig4 s TYR 34 N 1.54 3.16 0.10 4.92 1.51 0.69 -4.69 117.35 124.59 1ig4 s TYR 34 Ca 0.09 0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1ig4 s TYR 34 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1ig4 s TYR 34 CO 0.09 0.50 -0.07 0.71 -1.11 0.00 0.00 175.55 175.67 1ig4 s TYR 35 N -1.13 0.92 0.09 2.71 1.51 -0.29 0.37 117.35 121.52 1ig4 s TYR 35 Ca 0.21 -0.91 0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1ig4 s TYR 35 Cb -0.12 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1ig4 s TYR 35 CO 0.12 -0.14 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.08 1ig4 s GLN 36 N -3.83 1.12 0.66 -0.62 -0.44 -0.41 0.72 119.66 116.86 1ig4 s GLN 36 Ca 0.12 -1.08 -0.09 0.00 -2.50 0.00 0.00 55.36 51.81 1ig4 s GLN 36 Cb 0.05 -1.32 0.15 0.00 -1.64 0.00 0.00 33.01 30.24 1ig4 s GLN 36 CO -0.04 0.31 0.33 0.43 0.50 0.00 0.00 175.29 176.82 1ig4 n SER 37 N 1.27 -2.56 0.08 6.67 7.64 -1.22 -2.63 113.62 122.88 1ig4 n SER 37 Ca -0.19 -0.33 0.12 0.00 1.01 0.00 0.00 58.87 59.47 1ig4 n SER 37 Cb 0.54 -0.47 0.46 0.00 -1.01 0.00 0.00 64.21 63.72 1ig4 n SER 37 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ig4 n PRO 38 N -2.27 0.16 -2.05 1.43 -0.04 -1.26 -3.92 135.00 127.04 1ig4 n PRO 38 Ca 0.05 0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.74 1ig4 n PRO 38 Cb 0.23 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.01 0.00 0.00 0.52 5.66 -1.26 -4.45 114.28 112.74 1ig4 n THR 39 Ca 0.04 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1ig4 n THR 39 Cb 0.32 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 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 -0.27 1.74 0.00 1.09 0.00 -1.26 -5.17 105.19 101.32 1ig4 n GLY 40 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.55 -4.36 1.61 -0.08 -1.26 -4.89 116.55 108.12 1ig4 n ASP 41 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1ig4 n ASP 41 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1ig4 s ARG 42 N 2.00 3.22 0.16 -0.67 3.00 -1.26 -3.42 118.95 121.98 1ig4 s ARG 42 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 55.73 54.99 1ig4 s ARG 42 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.57 1ig4 s ARG 42 CO 0.00 -0.38 0.30 0.42 0.00 0.00 0.00 175.30 175.65 1ig4 s ILE 43 N 1.52 5.31 0.00 1.52 1.01 0.22 -4.97 121.20 125.81 1ig4 s ILE 43 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1ig4 s ILE 43 Cb -0.17 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1ig4 s ILE 43 CO 0.02 -0.12 0.00 0.54 0.00 0.00 0.00 174.94 175.39 1ig4 n ARG 44 N -0.61 5.33 -0.83 2.79 1.74 -1.26 -1.14 116.66 122.67 1ig4 n ARG 44 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1ig4 n ARG 44 Cb 0.54 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 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 -0.81 0.00 -0.02 0.55 7.64 -1.26 -4.65 113.62 115.07 1ig4 n SER 45 Ca 0.00 -0.61 -0.16 0.00 1.01 0.00 0.00 58.87 59.11 1ig4 n SER 45 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.16 -0.09 1.43 3.64 -1.97 -2.76 116.57 116.98 1ig4 h LYS 46 Ca 0.00 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1ig4 h LYS 46 Cb 0.00 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1ig4 h LYS 46 CO 0.00 0.99 -0.19 0.28 -2.27 0.00 0.00 179.45 178.25 1ig4 h VAL 47 N -0.57 0.52 -0.78 2.00 2.07 -1.97 1.15 116.25 118.67 1ig4 h VAL 47 Ca -0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.66 1ig4 h VAL 47 Cb 1.11 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1ig4 h VAL 47 CO 0.06 0.00 0.53 -0.33 0.02 0.00 0.00 177.57 177.85 1ig4 h GLU 48 N -0.26 0.26 -0.03 1.57 5.08 -1.97 0.26 114.58 119.48 1ig4 h GLU 48 Ca 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ig4 h GLU 48 Cb 0.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ig4 h GLU 48 CO -0.24 0.17 -0.09 1.25 -1.00 0.00 0.00 179.01 179.10 1ig4 h LEU 49 N 0.27 0.13 -2.76 1.33 5.85 -0.05 -2.84 115.31 117.24 1ig4 h LEU 49 Ca 0.39 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1ig4 h LEU 49 Cb 1.11 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ig4 h LEU 49 CO -0.10 0.71 0.05 0.74 -0.34 0.00 0.00 178.44 179.51 1ig4 h THR 50 N -0.45 0.11 0.32 1.05 2.02 0.37 -2.00 112.91 114.34 1ig4 h THR 50 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ig4 h THR 50 Cb 0.70 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1ig4 h THR 50 CO 0.02 0.00 -0.15 0.03 0.37 0.00 0.00 175.52 175.79 1ig4 h ARG 51 N 0.00 -0.41 -0.01 6.66 3.08 -0.40 -0.63 114.38 122.67 1ig4 h ARG 51 Ca 0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ig4 h ARG 51 Cb 0.11 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ig4 h ARG 51 CO -0.00 -0.24 0.02 -0.92 -1.07 0.00 0.00 179.97 177.75 1ig4 h TYR 52 N -1.10 0.00 0.00 3.04 3.20 -1.35 -0.41 116.97 120.35 1ig4 h TYR 52 Ca -0.04 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1ig4 h TYR 52 Cb 0.36 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1ig4 h TYR 52 CO 0.01 0.00 -0.75 -0.07 -1.64 0.00 0.00 178.16 175.70 1ig4 h LEU 53 N 0.00 0.00 0.00 2.82 3.38 -1.38 -3.50 115.31 116.62 1ig4 h LEU 53 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ig4 h LEU 53 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ig4 h LEU 53 CO -0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1ig4 n GLY 54 N 1.20 2.82 0.18 0.83 0.00 -0.16 -4.55 105.19 105.50 1ig4 n GLY 54 Ca -0.00 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.63 1.61 0.13 -1.83 -2.55 132.00 128.74 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 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1ig4 n ALA 56 N -1.88 2.99 -3.13 -0.56 0.00 -1.26 -4.48 120.51 112.19 1ig4 n ALA 56 Ca 0.02 -1.28 -0.26 0.00 0.00 0.00 0.00 53.44 51.91 1ig4 n ALA 56 Cb 0.27 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 1ig4 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ig4 n ASP 58 N 0.22 -2.78 -2.92 0.00 5.75 -1.26 -4.76 116.55 110.79 1ig4 n ASP 58 Ca 0.30 -0.29 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 1ig4 n ASP 58 Cb 0.42 -0.86 0.03 0.00 -1.03 0.00 0.00 41.12 39.68 1ig4 n ASP 58 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ig4 n LEU 59 N -1.65 -1.21 0.00 -2.12 4.77 -1.26 -4.95 117.00 110.58 1ig4 n LEU 59 Ca 0.04 -4.14 0.14 0.00 -0.03 0.00 0.00 56.01 52.01 1ig4 n LEU 59 Cb 0.51 0.82 0.80 0.00 -2.33 0.00 0.00 43.42 43.23 1ig4 n LEU 59 CO 0.39 2.13 0.98 0.41 -1.33 0.00 0.00 177.39 179.97 1ig4 n THR 60 N 0.67 0.00 -0.05 -5.08 -1.04 -1.26 -3.25 114.28 104.28 1ig4 n THR 60 Ca 0.14 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.14 1ig4 n THR 60 Cb 0.66 -0.58 -0.12 0.00 -1.82 0.00 0.00 70.33 68.48 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 -1.00 0.00 -4.68 -4.42 4.77 -1.26 -4.94 117.00 105.46 1ig4 n LEU 61 Ca 0.20 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 1ig4 n LEU 61 Cb 0.09 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1ig4 n LEU 61 CO 0.15 0.22 1.53 0.33 -1.33 0.00 0.00 177.39 178.29 1ig4 n PHE 62 N -2.34 2.58 1.46 -1.77 7.35 -1.20 -4.12 117.46 119.42 1ig4 n PHE 62 Ca -0.15 -0.25 0.05 0.00 -0.76 0.00 0.00 57.45 56.34 1ig4 n PHE 62 Cb 0.75 -2.76 0.21 0.00 0.35 0.00 0.00 39.48 38.03 1ig4 n PHE 62 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1ig4 n ASP 63 N 6.43 0.98 0.00 -2.13 8.00 -1.15 -4.93 116.55 123.75 1ig4 n ASP 63 Ca 0.19 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1ig4 n ASP 63 Cb 0.39 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1ig4 n ASP 63 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ig4 n PHE 64 N -0.03 0.00 0.15 1.24 7.35 -1.26 -3.49 117.46 121.41 1ig4 n PHE 64 Ca 0.09 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.65 1ig4 n PHE 64 Cb 0.18 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.94 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 -0.43 -0.23 -4.13 1.63 -1.92 -2.41 116.57 109.08 1ig4 h LYS 65 Ca 0.00 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1ig4 h LYS 65 Cb 0.00 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1ig4 h LYS 65 CO 0.00 -0.29 -0.04 1.96 -3.45 0.00 0.00 179.45 177.63 1ig4 h GLN 66 N -0.45 0.35 -3.71 1.90 1.08 -1.97 -3.47 115.11 108.83 1ig4 h GLN 66 Ca 0.00 -0.07 -0.19 0.00 -1.45 0.00 0.00 58.65 56.95 1ig4 h GLN 66 Cb 0.43 -0.05 0.08 0.00 -0.05 0.00 0.00 27.48 27.89 1ig4 h GLN 66 CO -0.06 0.41 -0.38 0.41 -0.95 0.00 0.00 178.83 178.26 1ig4 n GLY 67 N -0.97 0.10 3.31 3.46 0.00 -0.91 -5.02 105.19 105.16 1ig4 n GLY 67 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.18 0.07 -0.83 -0.61 -4.36 -1.26 -3.89 121.20 107.13 1ig4 s ILE 68 Ca 0.14 -0.54 -0.08 0.00 -0.26 0.00 0.00 60.65 59.91 1ig4 s ILE 68 Cb -0.06 -1.07 0.21 0.00 1.25 0.00 0.00 42.46 42.80 1ig4 s ILE 68 CO 0.38 -0.30 0.74 -0.76 0.24 0.00 0.00 174.94 175.23 1ig4 s LEU 69 N -2.42 6.07 -0.94 0.37 1.43 -1.26 -2.92 118.68 119.02 1ig4 s LEU 69 Ca -0.01 -3.07 -0.24 0.00 -1.03 0.00 0.00 54.13 49.78 1ig4 s LEU 69 Cb 0.01 -2.06 -0.20 0.00 0.03 0.00 0.00 46.19 43.96 1ig4 s LEU 69 CO -0.07 -0.40 2.09 0.00 0.23 0.00 0.00 176.35 178.19 1ig4 n TYR 71 N 18.20 1.41 0.00 0.00 9.36 -1.26 -5.00 117.16 139.87 1ig4 n TYR 71 Ca 0.39 -3.84 0.00 0.00 3.32 0.00 0.00 57.90 57.78 1ig4 n TYR 71 Cb 0.46 -0.31 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1ig4 n TYR 71 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ig4 n PRO 72 N 1.79 0.00 -4.36 2.98 -0.04 -1.26 -4.94 135.00 129.17 1ig4 n PRO 72 Ca 0.25 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.45 1ig4 n PRO 72 Cb 0.44 -0.68 -0.10 0.00 -0.04 0.00 0.00 33.50 33.11 1ig4 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 s ALA 73 N -3.14 2.75 0.21 0.55 0.00 -1.26 -5.03 121.76 115.85 1ig4 s ALA 73 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.42 1ig4 s ALA 73 Cb 0.00 -0.53 0.16 0.00 0.00 0.00 0.00 23.12 22.75 1ig4 s ALA 73 CO 0.00 0.44 1.50 -1.00 0.00 0.00 0.00 175.76 176.70 1ig4 h PRO 74 N 3.00 0.25 -0.02 0.00 0.13 -2.03 -3.55 132.00 129.79 1ig4 h PRO 74 Ca -0.46 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1ig4 h PRO 74 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ig4 h PRO 74 CO 0.52 0.84 0.00 1.63 -0.23 0.00 0.00 178.00 180.76