#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 -0.03 -0.02 3.04 0.00 -1.26 -4.67 120.51 117.57 1ig4 n ALA 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ig4 n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.59 2.75 0.00 0.00 -0.58 -1.26 -4.99 120.64 115.97 1ig4 n GLU 3 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1ig4 n GLU 3 Cb 0.00 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1ig4 n GLU 3 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ig4 n ASP 4 N -2.11 0.00 -4.53 1.62 5.68 -1.26 -4.99 116.55 110.96 1ig4 n ASP 4 Ca -0.07 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.80 1ig4 n ASP 4 Cb 0.59 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.53 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1ig4 s TRP 5 N 0.00 2.48 0.25 2.11 0.23 -1.26 -4.16 118.94 118.60 1ig4 s TRP 5 Ca 0.00 -0.06 0.05 0.00 -2.03 0.00 0.00 56.10 54.06 1ig4 s TRP 5 Cb 0.00 -4.47 -0.03 0.00 0.03 0.00 0.00 33.47 29.00 1ig4 s TRP 5 CO 0.00 -1.81 0.38 -0.51 0.96 0.00 0.00 176.95 175.97 1ig4 s LEU 6 N 5.03 4.28 1.43 2.99 1.43 0.14 -4.82 118.68 129.15 1ig4 s LEU 6 Ca 0.33 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1ig4 s LEU 6 Cb -0.10 -2.88 0.37 0.00 0.03 0.00 0.00 46.19 43.60 1ig4 s LEU 6 CO 0.16 -0.11 0.92 -1.81 0.23 0.00 0.00 176.35 175.75 1ig4 s ASP 7 N -3.99 -1.12 -0.40 2.29 1.01 -1.26 0.57 116.67 113.76 1ig4 s ASP 7 Ca 0.35 0.96 0.04 0.00 0.71 0.00 0.00 52.55 54.62 1ig4 s ASP 7 Cb -0.09 -1.38 0.17 0.00 1.01 0.00 0.00 42.92 42.62 1ig4 s ASP 7 CO 0.30 -5.41 0.46 0.00 0.21 0.00 0.00 175.17 170.72 1ig4 n PRO 9 N 3.92 0.20 0.32 0.00 -0.04 -1.26 -3.41 135.00 134.72 1ig4 n PRO 9 Ca 0.14 0.13 0.19 0.00 -0.04 0.00 0.00 63.50 63.92 1ig4 n PRO 9 Cb 0.49 -1.50 0.99 0.00 -0.04 0.00 0.00 33.50 33.44 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 2.82 1.14 0.00 0.55 0.00 -1.79 -3.37 119.26 118.62 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ig4 h ALA 10 CO 0.00 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1ig4 n LEU 11 N -2.91 0.19 0.00 0.00 4.32 -1.22 -4.11 117.00 113.27 1ig4 n LEU 11 Ca -0.02 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1ig4 n LEU 11 Cb 0.20 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1ig4 n LEU 11 CO 0.16 -0.60 0.00 0.61 -1.22 0.00 0.00 177.39 176.34 1ig4 n GLY 12 N 2.59 0.89 3.60 -0.72 0.00 -1.25 -5.10 105.19 105.20 1ig4 n GLY 12 Ca 0.00 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.88 3.57 0.00 1.61 0.04 -1.26 -3.46 135.00 133.62 1ig4 s PRO 13 Ca 0.00 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1ig4 s PRO 13 Cb 0.00 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1ig4 s PRO 13 CO 0.00 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1ig4 n GLY 14 N 5.09 4.07 3.75 0.56 0.00 -1.26 -4.88 105.19 112.51 1ig4 n GLY 14 Ca 0.16 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 2.98 0.07 1.61 0.52 -1.22 -4.04 118.94 118.86 1ig4 s TRP 15 Ca 0.00 1.12 0.09 0.00 0.02 0.00 0.00 56.10 57.33 1ig4 s TRP 15 Cb 0.00 -3.81 -0.03 0.00 -1.15 0.00 0.00 33.47 28.48 1ig4 s TRP 15 CO 0.00 -2.52 -0.23 0.21 0.02 0.00 0.00 176.95 174.42 1ig4 s LYS 16 N -0.86 1.43 0.07 4.98 2.47 -1.05 -1.91 119.74 124.87 1ig4 s LYS 16 Ca 0.56 -1.11 0.09 0.00 -1.56 0.00 0.00 55.97 53.96 1ig4 s LYS 16 Cb -0.42 -1.67 -0.03 0.00 -1.46 0.00 0.00 37.83 34.25 1ig4 s LYS 16 CO 0.47 0.41 -0.25 0.50 0.16 0.00 0.00 175.35 176.65 1ig4 s ARG 17 N -1.53 1.73 -0.01 4.03 3.52 0.19 -1.68 118.95 125.21 1ig4 s ARG 17 Ca 0.09 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.53 1ig4 s ARG 17 Cb -0.10 -1.99 0.01 0.00 -1.56 0.00 0.00 34.95 31.31 1ig4 s ARG 17 CO 0.03 0.50 0.01 0.50 -0.81 0.00 0.00 175.30 175.53 1ig4 s ARG 18 N -1.55 -0.01 -0.23 5.12 3.52 0.26 0.23 118.95 126.28 1ig4 s ARG 18 Ca 0.13 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.71 1ig4 s ARG 18 Cb -0.10 -0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.12 1ig4 s ARG 18 CO 0.04 -0.08 0.17 -1.21 -0.81 0.00 0.00 175.30 173.41 1ig4 s GLU 19 N 0.51 4.09 -0.45 5.12 2.02 -1.26 -0.52 118.70 128.22 1ig4 s GLU 19 Ca -0.04 -0.23 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 1ig4 s GLU 19 Cb -0.06 -3.52 0.12 0.00 0.10 0.00 0.00 34.13 30.76 1ig4 s GLU 19 CO -0.01 0.09 0.28 0.08 0.02 0.00 0.00 175.26 175.72 1ig4 s VAL 20 N 0.98 3.75 -0.14 2.63 1.01 0.18 -4.79 120.40 124.02 1ig4 s VAL 20 Ca 0.08 -1.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.06 1ig4 s VAL 20 Cb -0.13 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1ig4 s VAL 20 CO 0.04 -0.74 2.72 0.49 0.00 0.00 0.00 175.10 177.61 1ig4 n PHE 21 N 4.69 0.56 -0.95 5.22 3.72 -1.25 0.29 117.46 129.74 1ig4 n PHE 21 Ca -0.04 -1.52 0.10 0.00 -0.05 0.00 0.00 57.45 55.94 1ig4 n PHE 21 Cb 0.41 -1.13 -0.03 0.00 -0.94 0.00 0.00 39.48 37.78 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 1.54 -1.64 0.00 -1.08 5.12 -0.29 -4.10 116.66 116.21 1ig4 n ARG 22 Ca 0.29 1.19 0.00 0.00 -1.93 0.00 0.00 57.85 57.41 1ig4 n ARG 22 Cb 0.67 -2.15 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 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 -3.05 0.19 -3.76 5.56 3.00 -1.26 -4.73 118.16 114.11 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 0.60 -0.53 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 -1.13 0.00 0.00 0.00 177.40 176.27 1ig4 n SER 24 N -0.89 0.00 0.00 3.14 3.41 -1.26 -4.91 113.62 113.10 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 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.00 0.85 0.15 5.00 0.00 -1.26 -4.22 105.19 105.71 1ig4 n GLY 25 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.74 1.29 -1.14 4.61 0.00 -1.26 -4.87 120.51 119.89 1ig4 n ALA 26 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1ig4 n ALA 26 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 0.04 -1.62 0.00 -2.24 -1.26 -5.09 114.28 104.11 1ig4 n THR 27 Ca 0.00 -0.05 -0.49 0.00 -2.27 0.00 0.00 64.05 61.24 1ig4 n THR 27 Cb 0.53 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 2.90 2.05 3.87 0.00 0.00 -1.26 -4.97 105.19 107.78 1ig4 n GLY 29 Ca 0.18 0.00 -0.30 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 -0.23 3.67 -0.29 1.61 0.52 -1.06 -4.87 118.95 118.30 1ig4 s ARG 30 Ca 0.00 0.63 0.02 0.00 -0.52 0.00 0.00 55.73 55.86 1ig4 s ARG 30 Cb 0.00 -2.19 0.08 0.00 0.52 0.00 0.00 34.95 33.36 1ig4 s ARG 30 CO 0.00 -0.37 0.02 -1.54 0.02 0.00 0.00 175.30 173.43 1ig4 s SER 31 N -3.84 4.27 -0.21 0.23 1.04 -1.25 -1.14 113.70 112.80 1ig4 s SER 31 Ca 0.54 -1.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.24 1ig4 s SER 31 Cb -0.11 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1ig4 s SER 31 CO 0.45 -0.33 0.08 -1.81 0.98 0.00 0.00 173.24 172.61 1ig4 s ASP 32 N 1.25 5.54 -0.26 7.02 1.01 0.15 -4.83 116.67 126.54 1ig4 s ASP 32 Ca 0.04 0.00 -0.12 0.00 0.71 0.00 0.00 52.55 53.18 1ig4 s ASP 32 Cb -0.19 -1.97 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1ig4 s ASP 32 CO -0.11 0.10 0.23 -0.89 0.21 0.00 0.00 175.17 174.72 1ig4 s THR 33 N 0.80 5.29 0.19 -1.27 2.01 -1.26 0.48 115.64 121.89 1ig4 s THR 33 Ca 0.04 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.39 1ig4 s THR 33 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ig4 s THR 33 CO 0.02 0.25 0.16 -0.31 -0.69 0.00 0.00 174.62 174.05 1ig4 s TYR 34 N 1.62 3.13 0.00 4.92 1.51 0.32 -4.74 117.35 124.11 1ig4 s TYR 34 Ca 0.10 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1ig4 s TYR 34 Cb -0.15 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1ig4 s TYR 34 CO 0.09 0.52 0.01 0.71 -1.11 0.00 0.00 175.55 175.77 1ig4 s TYR 35 N -1.88 0.07 0.07 2.71 1.51 -0.98 -0.58 117.35 118.28 1ig4 s TYR 35 Ca 0.32 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 1ig4 s TYR 35 Cb -0.09 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1ig4 s TYR 35 CO 0.24 -0.08 0.03 -1.14 -1.11 0.00 0.00 175.55 173.49 1ig4 s GLN 36 N -0.53 2.73 0.96 -0.62 0.74 -0.68 -1.61 119.66 120.66 1ig4 s GLN 36 Ca -0.06 -0.74 -0.13 0.00 0.05 0.00 0.00 55.36 54.49 1ig4 s GLN 36 Cb -0.04 -2.64 0.20 0.00 1.10 0.00 0.00 33.01 31.63 1ig4 s GLN 36 CO -0.00 0.57 0.45 -1.13 -0.55 0.00 0.00 175.29 174.63 1ig4 n SER 37 N 0.66 -3.07 -0.00 6.67 3.41 0.15 -2.51 113.62 118.93 1ig4 n SER 37 Ca -0.11 -0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.18 1ig4 n SER 37 Cb 0.52 -0.71 0.50 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.01 0.04 -0.35 4.33 -0.04 -1.26 -3.71 135.00 132.00 1ig4 n PRO 38 Ca 0.07 -0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ig4 n PRO 38 Cb 0.31 -1.50 -0.00 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 -1.47 0.00 0.00 0.52 5.66 -1.26 -4.35 114.28 113.37 1ig4 n THR 39 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1ig4 n THR 39 Cb 0.33 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.62 0.00 1.09 0.00 -1.26 -5.17 105.19 100.46 1ig4 n GLY 40 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -4.70 1.61 2.03 -1.26 -4.89 116.55 109.34 1ig4 n ASP 41 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1ig4 n ASP 41 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ig4 s ARG 42 N 0.00 4.50 0.06 -0.67 1.81 -1.26 0.34 118.95 123.73 1ig4 s ARG 42 Ca 0.00 1.42 0.06 0.00 -1.72 0.00 0.00 55.73 55.49 1ig4 s ARG 42 Cb 0.00 -3.49 -0.03 0.00 -0.45 0.00 0.00 34.95 30.98 1ig4 s ARG 42 CO 0.00 -0.17 -0.15 0.42 -0.68 0.00 0.00 175.30 174.72 1ig4 s ILE 43 N 1.43 1.22 0.00 1.52 1.09 -0.64 -4.90 121.20 120.92 1ig4 s ILE 43 Ca 0.51 -1.19 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 1ig4 s ILE 43 Cb -0.20 -1.13 0.00 0.00 -1.06 0.00 0.00 42.46 40.07 1ig4 s ILE 43 CO 0.24 -0.07 0.50 0.54 -0.10 0.00 0.00 174.94 176.05 1ig4 n ARG 44 N 1.58 0.53 -1.98 2.79 1.74 -1.26 -2.31 116.66 117.75 1ig4 n ARG 44 Ca -0.19 -0.60 -0.00 0.00 -0.77 0.00 0.00 57.85 56.28 1ig4 n ARG 44 Cb 0.54 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1ig4 n ARG 44 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ig4 n SER 45 N -0.10 -0.33 -0.02 0.55 3.41 -1.26 -4.82 113.62 111.05 1ig4 n SER 45 Ca 0.00 -1.16 -0.17 0.00 -0.26 0.00 0.00 58.87 57.28 1ig4 n SER 45 Cb 0.36 0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.76 1ig4 n SER 45 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ig4 h LYS 46 N 0.00 0.61 0.39 4.33 3.64 -1.96 -1.64 116.57 121.94 1ig4 h LYS 46 Ca -0.05 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1ig4 h LYS 46 Cb 0.24 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ig4 h LYS 46 CO 0.07 1.14 -0.21 0.28 -2.27 0.00 0.00 179.45 178.47 1ig4 h VAL 47 N 0.25 0.57 -0.99 2.00 2.07 -1.97 0.84 116.25 119.02 1ig4 h VAL 47 Ca -0.05 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.65 1ig4 h VAL 47 Cb 1.28 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 31.53 1ig4 h VAL 47 CO 0.13 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 178.00 1ig4 h GLU 48 N -0.55 0.70 -0.15 1.57 4.39 -1.94 0.25 114.58 118.84 1ig4 h GLU 48 Ca -0.05 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1ig4 h GLU 48 Cb 0.44 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1ig4 h GLU 48 CO 0.07 0.46 -0.00 1.25 -1.16 0.00 0.00 179.01 179.63 1ig4 h LEU 49 N 0.72 0.27 -2.02 1.33 5.85 -0.24 -2.07 115.31 119.14 1ig4 h LEU 49 Ca 0.55 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1ig4 h LEU 49 Cb 0.91 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1ig4 h LEU 49 CO -0.32 0.52 0.00 0.74 -0.34 0.00 0.00 178.44 179.03 1ig4 h THR 50 N 0.01 0.00 0.21 1.05 2.02 0.37 -2.68 112.91 113.89 1ig4 h THR 50 Ca 0.04 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ig4 h THR 50 Cb 0.38 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ig4 h THR 50 CO 0.01 0.00 -0.10 0.03 0.37 0.00 0.00 175.52 175.83 1ig4 h ARG 51 N 0.00 -0.27 0.00 6.66 3.08 0.04 0.51 114.38 124.40 1ig4 h ARG 51 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ig4 h ARG 51 Cb 0.09 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ig4 h ARG 51 CO 0.00 -0.18 0.00 -0.92 -1.07 0.00 0.00 179.97 177.80 1ig4 h TYR 52 N -1.06 0.00 0.00 3.04 3.20 -1.42 -0.24 116.97 120.49 1ig4 h TYR 52 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ig4 h TYR 52 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1ig4 h TYR 52 CO 0.00 0.00 -1.24 1.28 -1.64 0.00 0.00 178.16 176.56 1ig4 n LEU 53 N -3.06 0.55 0.00 2.82 4.77 -1.02 -5.08 117.00 115.98 1ig4 n LEU 53 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1ig4 n LEU 53 Cb 0.08 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ig4 n LEU 53 CO 0.20 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1ig4 n GLY 54 N 1.35 2.45 0.16 -0.72 0.00 0.17 -4.38 105.19 104.23 1ig4 n GLY 54 Ca 0.01 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 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 0.09 0.00 1.61 0.13 -1.83 -2.79 132.00 129.21 1ig4 h PRO 55 Ca 0.00 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1ig4 h PRO 55 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1ig4 h PRO 55 CO 0.00 0.61 -0.24 0.00 -0.23 0.00 0.00 178.00 178.15 1ig4 h ALA 56 N 1.38 1.06 -0.61 -0.56 0.00 -1.89 -3.22 119.26 115.42 1ig4 h ALA 56 Ca -0.00 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 54.08 1ig4 h ALA 56 Cb 0.99 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.58 1ig4 h ALA 56 CO 0.08 0.30 1.26 0.00 0.00 0.00 0.00 179.25 180.88 1ig4 n ASP 58 N 1.18 -2.49 -3.07 0.00 5.75 -1.22 -4.81 116.55 111.88 1ig4 n ASP 58 Ca 0.55 -0.18 -0.17 0.00 -0.01 0.00 0.00 54.79 54.97 1ig4 n ASP 58 Cb 0.41 -0.93 -0.01 0.00 -1.03 0.00 0.00 41.12 39.56 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 -1.71 -0.23 0.10 -2.12 4.77 -1.26 -4.93 117.00 111.61 1ig4 n LEU 59 Ca 0.01 -4.54 0.10 0.00 -0.03 0.00 0.00 56.01 51.55 1ig4 n LEU 59 Cb 0.60 0.75 0.43 0.00 -2.33 0.00 0.00 43.42 42.87 1ig4 n LEU 59 CO 0.49 2.17 0.80 0.41 -1.33 0.00 0.00 177.39 179.92 1ig4 n THR 60 N 0.74 0.99 -0.08 -5.08 -1.04 -1.26 -2.56 114.28 106.00 1ig4 n THR 60 Ca 0.19 0.35 -0.07 0.00 -2.04 0.00 0.00 64.05 62.48 1ig4 n THR 60 Cb 0.63 -1.26 -0.16 0.00 -1.82 0.00 0.00 70.33 67.72 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 -2.03 0.13 -4.58 -4.42 4.77 -1.26 -4.88 117.00 104.72 1ig4 n LEU 61 Ca 0.02 0.06 -0.44 0.00 -0.03 0.00 0.00 56.01 55.61 1ig4 n LEU 61 Cb 0.16 0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1ig4 n LEU 61 CO 0.15 0.42 1.81 0.33 -1.33 0.00 0.00 177.39 178.78 1ig4 n PHE 62 N -2.74 1.97 -2.78 -1.77 -0.00 -1.06 -1.13 117.46 109.95 1ig4 n PHE 62 Ca -0.27 -0.08 -0.41 0.00 -0.00 0.00 0.00 57.45 56.68 1ig4 n PHE 62 Cb 1.08 -2.70 -0.04 0.00 -0.00 0.00 0.00 39.48 37.82 1ig4 n PHE 62 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1ig4 s ASP 63 N 7.71 7.36 0.39 -2.13 1.01 -1.26 -4.83 116.67 124.91 1ig4 s ASP 63 Ca 1.01 1.63 0.16 0.00 0.71 0.00 0.00 52.55 56.06 1ig4 s ASP 63 Cb -0.44 -2.55 0.79 0.00 1.01 0.00 0.00 42.92 41.73 1ig4 s ASP 63 CO 0.38 -0.15 1.83 0.15 0.21 0.00 0.00 175.17 177.60 1ig4 h PHE 64 N 6.24 0.00 0.02 4.23 3.04 -1.98 1.00 116.94 129.49 1ig4 h PHE 64 Ca -0.42 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.23 1ig4 h PHE 64 Cb 1.21 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 1ig4 h PHE 64 CO 0.66 0.35 -1.76 1.17 -2.02 0.00 0.00 178.31 176.72 1ig4 n LYS 65 N -3.91 0.65 -0.09 1.11 3.00 -1.26 -4.46 118.16 113.21 1ig4 n LYS 65 Ca -0.02 0.29 -0.21 0.00 -0.00 0.00 0.00 58.31 58.38 1ig4 n LYS 65 Cb 0.42 -1.78 -0.12 0.00 0.00 0.00 0.00 35.03 33.54 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 -3.12 0.67 -2.70 1.64 6.02 -1.18 -5.04 117.38 113.66 1ig4 n GLN 66 Ca -0.19 0.24 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 1ig4 n GLN 66 Cb 1.05 -1.60 0.02 0.00 1.02 0.00 0.00 30.24 30.73 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 1.94 -0.90 0.76 1.08 0.00 0.35 -4.95 105.19 103.47 1ig4 n GLY 67 Ca -0.42 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1ig4 n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ig4 n ILE 68 N -1.93 0.00 -2.69 -0.61 -5.35 -1.26 -3.24 119.36 104.28 1ig4 n ILE 68 Ca -0.02 -0.08 -0.16 0.00 -0.27 0.00 0.00 62.75 62.23 1ig4 n ILE 68 Cb 0.53 0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1ig4 n ILE 68 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ig4 n LEU 69 N 0.04 -1.35 0.00 7.28 4.77 -1.26 -3.64 117.00 122.83 1ig4 n LEU 69 Ca -0.09 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1ig4 n LEU 69 Cb 0.65 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1ig4 n LEU 69 CO -0.05 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 175.97 1ig4 n TYR 71 N 0.00 -2.10 -0.04 0.00 9.36 -1.24 -4.91 117.16 118.23 1ig4 n TYR 71 Ca 0.00 0.67 -0.15 0.00 3.32 0.00 0.00 57.90 61.74 1ig4 n TYR 71 Cb 0.00 -3.87 -0.08 0.00 -0.63 0.00 0.00 39.34 34.76 1ig4 n TYR 71 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1ig4 h PRO 72 N -1.62 0.43 -5.49 2.98 0.13 -1.94 -3.43 132.00 123.06 1ig4 h PRO 72 Ca -0.64 -0.30 -0.64 0.00 -0.87 0.00 0.00 66.00 63.55 1ig4 h PRO 72 Cb 1.34 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.37 1ig4 h PRO 72 CO 0.48 0.92 -0.58 0.00 -0.23 0.00 0.00 178.00 178.60 1ig4 s ALA 73 N -3.87 3.40 0.19 -0.56 0.00 -1.26 -5.08 121.76 114.58 1ig4 s ALA 73 Ca -0.14 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1ig4 s ALA 73 Cb 0.05 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 1ig4 s ALA 73 CO 0.79 0.34 1.17 -1.25 0.00 0.00 0.00 175.76 176.80 1ig4 s PRO 74 N -0.10 4.52 0.00 0.00 0.04 -1.26 -5.22 135.00 132.98 1ig4 s PRO 74 Ca 0.06 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ig4 s PRO 74 Cb -0.12 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1ig4 s PRO 74 CO 0.01 -0.04 0.00 1.17 0.04 0.00 0.00 177.00 178.19