#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 -3.43 -0.55 -5.12 0.00 -1.26 -4.92 120.51 105.23 1ig4 n ALA 2 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ig4 n ALA 2 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.60 0.00 -2.70 0.00 -0.58 -1.26 -4.81 120.64 111.89 1ig4 n GLU 3 Ca 0.01 0.55 0.02 0.00 -0.42 0.00 0.00 57.16 57.31 1ig4 n GLU 3 Cb 0.02 -1.22 0.01 0.00 -0.57 0.00 0.00 31.44 29.68 1ig4 n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ig4 s ASP 4 N -2.65 -0.13 -0.17 1.62 1.01 -1.26 -5.13 116.67 109.95 1ig4 s ASP 4 Ca 0.00 -0.07 -0.29 0.00 0.71 0.00 0.00 52.55 52.89 1ig4 s ASP 4 Cb 0.00 0.17 -0.00 0.00 1.01 0.00 0.00 42.92 44.10 1ig4 s ASP 4 CO 0.00 -0.01 1.03 0.26 0.21 0.00 0.00 175.17 176.65 1ig4 s TRP 5 N 1.92 3.42 0.26 4.23 0.52 -1.26 -4.65 118.94 123.39 1ig4 s TRP 5 Ca 0.15 1.52 0.09 0.00 0.02 0.00 0.00 56.10 57.88 1ig4 s TRP 5 Cb 0.05 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.09 1ig4 s TRP 5 CO -0.16 -0.38 0.07 -0.51 0.02 0.00 0.00 176.95 176.00 1ig4 s LEU 6 N 2.64 3.41 0.00 2.99 1.43 -0.06 -4.92 118.68 124.17 1ig4 s LEU 6 Ca 0.46 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 1ig4 s LEU 6 Cb -0.17 -1.93 0.32 0.00 0.03 0.00 0.00 46.19 44.44 1ig4 s LEU 6 CO 0.12 -0.02 0.72 0.47 0.23 0.00 0.00 176.35 177.86 1ig4 n ASP 7 N -1.00 -3.83 -3.24 2.29 9.92 -1.26 0.26 116.55 119.69 1ig4 n ASP 7 Ca -0.07 -0.72 -0.08 0.00 -0.53 0.00 0.00 54.79 53.39 1ig4 n ASP 7 Cb 0.59 -0.91 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 1ig4 n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ig4 n PRO 9 N 4.15 0.18 0.27 0.00 -0.04 -1.26 -3.36 135.00 134.94 1ig4 n PRO 9 Ca 0.12 0.15 0.16 0.00 -0.04 0.00 0.00 63.50 63.89 1ig4 n PRO 9 Cb 0.52 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.33 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 2.75 1.11 0.00 0.55 0.00 -1.85 -3.37 119.26 118.45 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ig4 h ALA 10 CO 0.00 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1ig4 n LEU 11 N -2.70 0.08 0.00 0.00 4.32 -1.21 -4.32 117.00 113.17 1ig4 n LEU 11 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1ig4 n LEU 11 Cb 0.17 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1ig4 n LEU 11 CO 0.14 -0.54 0.00 0.61 -1.22 0.00 0.00 177.39 176.38 1ig4 n GLY 12 N 2.65 1.00 3.77 -0.72 0.00 -1.25 -5.10 105.19 105.53 1ig4 n GLY 12 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 1.32 4.38 0.00 1.61 0.04 -1.26 -3.41 135.00 137.69 1ig4 s PRO 13 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1ig4 s PRO 13 Cb 0.00 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1ig4 s PRO 13 CO 0.00 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1ig4 n GLY 14 N 0.81 3.02 3.77 0.56 0.00 -1.26 -4.57 105.19 107.51 1ig4 n GLY 14 Ca 0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.40 2.89 0.01 1.61 0.52 -1.22 -3.96 118.94 116.39 1ig4 s TRP 15 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 56.10 57.50 1ig4 s TRP 15 Cb 0.00 -3.77 -0.01 0.00 -1.15 0.00 0.00 33.47 28.54 1ig4 s TRP 15 CO 0.00 -2.19 -0.09 0.15 0.02 0.00 0.00 176.95 174.85 1ig4 s LYS 16 N -1.94 0.66 0.02 4.98 -0.14 -1.04 -2.40 119.74 119.88 1ig4 s LYS 16 Ca 0.51 -0.40 0.05 0.00 -1.36 0.00 0.00 55.97 54.78 1ig4 s LYS 16 Cb -0.41 -0.62 -0.02 0.00 -1.68 0.00 0.00 37.83 35.10 1ig4 s LYS 16 CO 0.55 0.16 -0.17 -0.98 -0.76 0.00 0.00 175.35 174.16 1ig4 s ARG 17 N -0.47 1.22 0.02 1.68 1.04 0.14 -1.01 118.95 121.57 1ig4 s ARG 17 Ca 0.01 -0.71 -0.02 0.00 -1.04 0.00 0.00 55.73 53.97 1ig4 s ARG 17 Cb -0.04 -1.24 -0.02 0.00 -2.04 0.00 0.00 34.95 31.62 1ig4 s ARG 17 CO -0.00 0.32 0.01 0.50 -0.04 0.00 0.00 175.30 176.10 1ig4 s ARG 18 N -0.78 0.36 0.17 3.89 6.06 0.80 -0.88 118.95 128.56 1ig4 s ARG 18 Ca 0.05 -0.57 0.03 0.00 -2.50 0.00 0.00 55.73 52.74 1ig4 s ARG 18 Cb -0.07 0.13 -0.03 0.00 0.06 0.00 0.00 34.95 35.04 1ig4 s ARG 18 CO 0.00 -0.07 0.29 -1.21 -2.50 0.00 0.00 175.30 171.82 1ig4 s GLU 19 N -1.49 3.41 -0.31 5.12 2.02 -1.26 -0.13 118.70 126.06 1ig4 s GLU 19 Ca -0.15 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1ig4 s GLU 19 Cb -0.09 -2.93 0.11 0.00 0.10 0.00 0.00 34.13 31.32 1ig4 s GLU 19 CO -0.01 0.50 0.16 0.08 0.02 0.00 0.00 175.26 176.01 1ig4 s VAL 20 N -1.78 0.07 0.00 2.63 1.01 0.17 -4.88 120.40 117.61 1ig4 s VAL 20 Ca 0.34 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1ig4 s VAL 20 Cb -0.11 -1.08 -0.23 0.00 0.00 0.00 0.00 36.38 34.96 1ig4 s VAL 20 CO 0.28 -0.81 3.39 0.33 0.00 0.00 0.00 175.10 178.29 1ig4 n PHE 21 N 4.82 0.00 -0.79 5.22 7.35 -1.26 0.18 117.46 132.98 1ig4 n PHE 21 Ca 0.00 -1.42 0.09 0.00 -0.76 0.00 0.00 57.45 55.37 1ig4 n PHE 21 Cb 0.40 -1.45 -0.03 0.00 0.35 0.00 0.00 39.48 38.76 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ig4 n ARG 22 N 2.38 -1.46 0.00 -4.13 5.12 -0.35 -4.23 116.66 113.98 1ig4 n ARG 22 Ca 0.37 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 57.30 1ig4 n ARG 22 Cb 0.86 -1.85 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 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 -2.58 0.00 -3.45 5.56 3.00 -1.26 -4.79 118.16 114.64 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 -0.40 0.00 0.00 0.00 0.00 0.00 35.03 35.22 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 -0.69 0.00 0.00 3.14 2.88 -1.26 -4.98 113.62 112.71 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 -0.41 1.13 0.62 0.46 0.00 -1.26 -4.23 105.19 101.50 1ig4 n GLY 25 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.39 1.66 1.27 4.61 0.00 -1.26 -4.81 120.51 122.37 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 0.63 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.81 0.13 -1.49 0.00 -2.24 -1.26 -4.88 114.28 102.73 1ig4 n THR 27 Ca 0.00 0.03 -0.50 0.00 -2.27 0.00 0.00 64.05 61.32 1ig4 n THR 27 Cb 0.00 -0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 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 1.79 2.16 3.90 0.00 0.00 -1.26 -4.99 105.19 106.80 1ig4 n GLY 29 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 2.99 -0.25 1.61 0.52 -1.05 -4.88 118.95 117.36 1ig4 s ARG 30 Ca 0.00 0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1ig4 s ARG 30 Cb 0.00 -2.19 0.07 0.00 0.52 0.00 0.00 34.95 33.35 1ig4 s ARG 30 CO 0.00 -0.76 -0.02 0.45 0.02 0.00 0.00 175.30 175.00 1ig4 s SER 31 N -4.30 3.90 -0.18 0.23 0.15 -1.25 -1.22 113.70 111.03 1ig4 s SER 31 Ca 0.55 -1.31 -0.04 0.00 0.70 0.00 0.00 55.95 55.84 1ig4 s SER 31 Cb -0.11 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 1ig4 s SER 31 CO 0.48 -0.28 -0.02 -1.81 1.20 0.00 0.00 173.24 172.81 1ig4 s ASP 32 N 1.41 4.81 -0.25 5.45 1.11 0.13 -4.81 116.67 124.51 1ig4 s ASP 32 Ca -0.02 -0.17 -0.12 0.00 0.18 0.00 0.00 52.55 52.43 1ig4 s ASP 32 Cb -0.19 -1.80 -0.05 0.00 1.07 0.00 0.00 42.92 41.96 1ig4 s ASP 32 CO -0.09 0.12 0.22 -0.89 1.18 0.00 0.00 175.17 175.71 1ig4 s THR 33 N 0.67 5.31 0.17 -1.27 2.01 -1.26 0.42 115.64 121.69 1ig4 s THR 33 Ca -0.01 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.33 1ig4 s THR 33 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ig4 s THR 33 CO 0.02 0.29 0.03 -0.31 -0.69 0.00 0.00 174.62 173.96 1ig4 s TYR 34 N 1.38 2.93 0.02 4.92 1.51 0.82 -4.75 117.35 124.18 1ig4 s TYR 34 Ca 0.10 -0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1ig4 s TYR 34 Cb -0.15 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1ig4 s TYR 34 CO 0.07 0.52 -0.02 0.71 -1.11 0.00 0.00 175.55 175.72 1ig4 s TYR 35 N -1.71 0.28 0.06 2.71 1.51 -0.78 -0.14 117.35 119.29 1ig4 s TYR 35 Ca 0.28 -0.59 0.06 0.00 -1.01 0.00 0.00 57.07 55.81 1ig4 s TYR 35 Cb -0.10 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1ig4 s TYR 35 CO 0.20 -0.22 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.19 1ig4 s GLN 36 N -1.79 2.30 1.20 -0.62 0.74 -0.18 0.14 119.66 121.45 1ig4 s GLN 36 Ca -0.13 -0.90 -0.17 0.00 0.05 0.00 0.00 55.36 54.20 1ig4 s GLN 36 Cb -0.08 -2.38 0.27 0.00 1.10 0.00 0.00 33.01 31.92 1ig4 s GLN 36 CO -0.02 0.54 0.60 -1.13 -0.55 0.00 0.00 175.29 174.73 1ig4 n SER 37 N 1.03 -3.52 -0.25 6.67 3.41 0.35 -2.49 113.62 118.83 1ig4 n SER 37 Ca -0.14 -0.60 0.15 0.00 -0.26 0.00 0.00 58.87 58.01 1ig4 n SER 37 Cb 0.52 -0.86 0.67 0.00 -0.26 0.00 0.00 64.21 64.28 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 -3.49 1.23 -0.21 4.33 -0.04 -1.25 -3.93 135.00 131.65 1ig4 n PRO 38 Ca 0.09 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1ig4 n PRO 38 Cb 0.43 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.45 0.00 0.00 0.52 5.66 -1.26 -4.27 114.28 114.48 1ig4 n THR 39 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 1ig4 n THR 39 Cb 0.26 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 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 0.00 0.35 0.00 1.09 0.00 -1.26 -5.16 105.19 100.20 1ig4 n GLY 40 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 9.92 -1.26 -4.90 116.55 117.28 1ig4 n ASP 41 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 1ig4 n ASP 41 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1ig4 s ARG 42 N 0.00 4.06 0.11 -1.24 1.81 -1.26 0.13 118.95 122.56 1ig4 s ARG 42 Ca 0.00 1.09 0.04 0.00 -1.72 0.00 0.00 55.73 55.14 1ig4 s ARG 42 Cb 0.00 -3.74 -0.04 0.00 -0.45 0.00 0.00 34.95 30.72 1ig4 s ARG 42 CO 0.00 -0.91 0.10 0.42 -0.68 0.00 0.00 175.30 174.23 1ig4 s ILE 43 N 3.69 4.52 0.00 1.52 -1.09 0.12 -4.91 121.20 125.05 1ig4 s ILE 43 Ca 0.46 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1ig4 s ILE 43 Cb -0.13 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1ig4 s ILE 43 CO 0.16 0.05 0.00 0.54 -1.23 0.00 0.00 174.94 174.46 1ig4 n ARG 44 N 0.21 2.31 -0.05 2.79 1.74 -1.26 -1.86 116.66 120.54 1ig4 n ARG 44 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1ig4 n ARG 44 Cb 0.53 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 -1.19 0.00 0.01 0.55 7.64 -1.26 -4.62 113.62 114.74 1ig4 n SER 45 Ca 0.00 -0.03 -0.18 0.00 1.01 0.00 0.00 58.87 59.68 1ig4 n SER 45 Cb 0.14 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.19 0.02 1.43 3.64 -1.97 -3.07 116.57 116.80 1ig4 h LYS 46 Ca 0.00 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1ig4 h LYS 46 Cb 0.00 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1ig4 h LYS 46 CO 0.00 1.15 -0.21 0.28 -2.27 0.00 0.00 179.45 178.40 1ig4 h VAL 47 N -0.60 0.50 -1.00 2.00 2.07 -1.97 0.59 116.25 117.84 1ig4 h VAL 47 Ca -0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.65 1ig4 h VAL 47 Cb 1.41 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 1ig4 h VAL 47 CO 0.09 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.23 1ig4 h GLU 48 N -0.35 0.54 -0.10 1.57 4.22 -1.97 0.27 114.58 118.76 1ig4 h GLU 48 Ca 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1ig4 h GLU 48 Cb 0.42 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ig4 h GLU 48 CO -0.18 0.36 -0.08 1.25 -2.18 0.00 0.00 179.01 178.18 1ig4 h LEU 49 N 0.56 0.25 -2.06 1.64 5.85 -0.87 -2.59 115.31 118.09 1ig4 h LEU 49 Ca 0.57 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ig4 h LEU 49 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1ig4 h LEU 49 CO -0.33 0.65 0.00 0.74 -0.34 0.00 0.00 178.44 179.16 1ig4 h THR 50 N -0.15 0.00 0.04 1.05 2.02 0.33 -2.69 112.91 113.51 1ig4 h THR 50 Ca 0.02 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1ig4 h THR 50 Cb 0.57 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1ig4 h THR 50 CO 0.02 0.00 -0.02 0.03 0.37 0.00 0.00 175.52 175.92 1ig4 h ARG 51 N 0.00 -0.05 -0.02 6.66 3.08 -0.33 -2.96 114.38 120.76 1ig4 h ARG 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ig4 h ARG 51 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ig4 h ARG 51 CO 0.00 -0.04 0.13 -0.92 -1.07 0.00 0.00 179.97 178.07 1ig4 h TYR 52 N -0.89 0.00 -0.01 3.04 3.20 -1.43 0.17 116.97 121.05 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 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1ig4 h TYR 52 CO 0.00 0.00 -0.23 1.28 -1.64 0.00 0.00 178.16 177.57 1ig4 n LEU 53 N -3.10 1.51 0.00 2.82 4.77 -1.02 -5.06 117.00 116.92 1ig4 n LEU 53 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1ig4 n LEU 53 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ig4 n LEU 53 CO 0.19 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1ig4 n GLY 54 N 1.32 -0.31 0.24 -0.72 0.00 0.58 -4.19 105.19 102.11 1ig4 n GLY 54 Ca 0.13 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.83 -2.71 132.00 129.20 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 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 177.93 1ig4 n ALA 56 N -2.19 2.02 -3.52 -0.56 0.00 -1.26 -4.25 120.51 110.74 1ig4 n ALA 56 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1ig4 n ALA 56 Cb 0.40 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 0.69 4.87 -0.40 0.00 1.01 -1.26 -4.79 116.67 116.78 1ig4 s ASP 58 Ca 0.26 1.75 0.09 0.00 0.71 0.00 0.00 52.55 55.36 1ig4 s ASP 58 Cb -0.10 -2.51 0.28 0.00 1.01 0.00 0.00 42.92 41.60 1ig4 s ASP 58 CO -0.10 -1.79 0.60 0.18 0.21 0.00 0.00 175.17 174.28 1ig4 n LEU 59 N -3.33 0.66 -0.15 1.23 4.77 -1.26 -4.91 117.00 114.02 1ig4 n LEU 59 Ca 0.08 -4.85 0.13 0.00 -0.03 0.00 0.00 56.01 51.35 1ig4 n LEU 59 Cb 0.53 0.56 0.70 0.00 -2.33 0.00 0.00 43.42 42.88 1ig4 n LEU 59 CO 0.54 2.14 0.96 0.41 -1.33 0.00 0.00 177.39 180.10 1ig4 n THR 60 N 1.03 0.02 -0.02 -5.08 -1.04 -1.26 -3.59 114.28 104.35 1ig4 n THR 60 Ca 0.23 -0.08 0.01 0.00 -2.04 0.00 0.00 64.05 62.16 1ig4 n THR 60 Cb 0.56 -0.17 -0.06 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.58 0.00 -4.66 -4.42 4.77 -1.26 -5.02 117.00 105.83 1ig4 n LEU 61 Ca 0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.77 1ig4 n LEU 61 Cb 0.16 0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1ig4 n LEU 61 CO 0.15 0.08 0.73 0.33 -1.33 0.00 0.00 177.39 177.36 1ig4 n PHE 62 N -2.01 1.60 -3.86 -1.77 -0.00 -1.24 -3.06 117.46 107.13 1ig4 n PHE 62 Ca -0.06 0.50 -0.35 0.00 -0.00 0.00 0.00 57.45 57.53 1ig4 n PHE 62 Cb 0.45 -2.28 -0.14 0.00 -0.00 0.00 0.00 39.48 37.51 1ig4 n PHE 62 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1ig4 s ASP 63 N -0.76 4.56 0.32 -2.13 -1.08 -0.25 -4.91 116.67 112.40 1ig4 s ASP 63 Ca 0.65 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 52.39 1ig4 s ASP 63 Cb -0.50 -1.79 0.54 0.00 -1.46 0.00 0.00 42.92 39.71 1ig4 s ASP 63 CO 0.55 -0.03 1.76 0.15 0.52 0.00 0.00 175.17 178.12 1ig4 h PHE 64 N 8.15 0.31 -0.36 -5.34 3.04 -1.93 0.37 116.94 121.18 1ig4 h PHE 64 Ca -0.40 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.42 1ig4 h PHE 64 Cb 1.16 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 1ig4 h PHE 64 CO 0.61 0.56 0.07 1.17 -2.02 0.00 0.00 178.31 178.70 1ig4 n LYS 65 N -4.11 2.81 0.00 1.11 3.00 -1.26 -4.34 118.16 115.37 1ig4 n LYS 65 Ca -0.01 -1.68 0.00 0.00 -0.00 0.00 0.00 58.31 56.62 1ig4 n LYS 65 Cb 0.41 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1ig4 n LYS 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1ig4 n GLN 66 N 0.19 0.00 -1.55 1.64 6.02 -1.02 -5.06 117.38 117.60 1ig4 n GLN 66 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1ig4 n GLN 66 Cb 0.84 -0.20 0.00 0.00 1.02 0.00 0.00 30.24 31.90 1ig4 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ig4 n GLY 67 N -0.16 0.61 3.36 1.08 0.00 0.13 -5.02 105.19 105.19 1ig4 n GLY 67 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.75 0.04 -1.13 -0.61 -5.25 -1.25 -3.54 121.20 106.72 1ig4 s ILE 68 Ca 0.00 -0.35 -0.09 0.00 -0.99 0.00 0.00 60.65 59.22 1ig4 s ILE 68 Cb 0.00 -1.09 0.27 0.00 2.95 0.00 0.00 42.46 44.59 1ig4 s ILE 68 CO 0.00 -0.19 1.19 0.18 -1.79 0.00 0.00 174.94 174.33 1ig4 n LEU 69 N -0.21 5.56 0.00 0.37 4.77 -1.26 -1.09 117.00 125.14 1ig4 n LEU 69 Ca -0.17 -4.97 0.00 0.00 -0.03 0.00 0.00 56.01 50.84 1ig4 n LEU 69 Cb 0.64 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1ig4 n LEU 69 CO 0.16 1.29 0.00 0.00 -1.33 0.00 0.00 177.39 177.51 1ig4 s TYR 71 N -1.21 -1.21 -0.20 0.00 1.13 -1.26 -5.01 117.35 109.58 1ig4 s TYR 71 Ca 0.00 1.90 0.28 0.00 -1.41 0.00 0.00 57.07 57.85 1ig4 s TYR 71 Cb 0.00 0.65 0.92 0.00 -1.10 0.00 0.00 41.96 42.44 1ig4 s TYR 71 CO 0.00 -0.62 1.81 -1.00 -2.51 0.00 0.00 175.55 173.23 1ig4 h PRO 72 N 7.89 0.00 0.00 -3.49 0.13 -2.00 -3.45 132.00 131.08 1ig4 h PRO 72 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1ig4 h PRO 72 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ig4 h PRO 72 CO 0.11 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.88 1ig4 n ALA 73 N -2.05 0.00 -2.23 -0.56 0.00 -1.26 -5.12 120.51 109.29 1ig4 n ALA 73 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1ig4 n ALA 73 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.00 4.41 0.00 0.00 0.04 -1.26 -5.28 135.00 130.91 1ig4 s PRO 74 Ca 0.00 1.91 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1ig4 s PRO 74 Cb 0.00 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.37 1ig4 s PRO 74 CO 0.00 -0.27 0.60 0.36 0.04 0.00 0.00 177.00 177.73