#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 -0.61 -1.69 -5.12 0.00 -1.26 -0.86 120.51 110.98 1ig4 n ALA 2 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 1ig4 n ALA 2 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 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 -2.60 -1.51 -2.50 0.00 4.71 -1.26 -3.83 120.64 113.65 1ig4 n GLU 3 Ca -0.16 0.87 -0.04 0.00 -0.01 0.00 0.00 57.16 57.83 1ig4 n GLU 3 Cb 0.58 -5.24 -0.03 0.00 -1.01 0.00 0.00 31.44 25.74 1ig4 n GLU 3 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1ig4 n ASP 4 N -1.03 -2.70 -4.89 1.62 2.03 -0.04 -4.86 116.55 106.68 1ig4 n ASP 4 Ca -0.16 1.22 -0.29 0.00 0.52 0.00 0.00 54.79 56.08 1ig4 n ASP 4 Cb 0.54 -4.81 0.04 0.00 -0.72 0.00 0.00 41.12 36.17 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1ig4 s TRP 5 N -0.87 3.30 0.14 -0.67 0.52 -1.25 -4.79 118.94 115.33 1ig4 s TRP 5 Ca -0.18 0.95 0.03 0.00 0.02 0.00 0.00 56.10 56.93 1ig4 s TRP 5 Cb 0.01 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 1ig4 s TRP 5 CO 0.71 -1.10 -0.08 -0.51 0.02 0.00 0.00 176.95 175.99 1ig4 s LEU 6 N -5.27 2.47 1.23 2.99 1.43 0.82 -4.94 118.68 117.42 1ig4 s LEU 6 Ca 0.57 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1ig4 s LEU 6 Cb -0.11 -0.25 0.30 0.00 0.03 0.00 0.00 46.19 46.16 1ig4 s LEU 6 CO 0.50 -0.40 1.02 -1.81 0.23 0.00 0.00 176.35 175.89 1ig4 s ASP 7 N -3.14 0.52 -0.41 2.29 1.01 -1.26 0.41 116.67 116.09 1ig4 s ASP 7 Ca 0.17 1.06 0.05 0.00 0.71 0.00 0.00 52.55 54.54 1ig4 s ASP 7 Cb 0.04 -1.60 0.17 0.00 1.01 0.00 0.00 42.92 42.53 1ig4 s ASP 7 CO -0.00 -4.42 0.46 0.00 0.21 0.00 0.00 175.17 171.41 1ig4 n PRO 9 N 3.85 0.23 0.11 0.00 -0.04 -1.26 -3.32 135.00 134.57 1ig4 n PRO 9 Ca 0.15 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1ig4 n PRO 9 Cb 0.49 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.86 1ig4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 n ALA 10 N -1.32 1.19 0.04 0.55 0.00 -1.26 -4.26 120.51 115.46 1ig4 n ALA 10 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ig4 n ALA 10 Cb 0.16 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ig4 n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ig4 n LEU 11 N -2.01 0.14 0.00 0.00 4.32 -1.21 -4.38 117.00 113.85 1ig4 n LEU 11 Ca -0.00 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1ig4 n LEU 11 Cb 0.07 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1ig4 n LEU 11 CO 0.09 -0.60 0.00 0.61 -1.22 0.00 0.00 177.39 176.27 1ig4 n GLY 12 N 2.38 -1.00 3.58 -0.72 0.00 -1.25 -5.08 105.19 103.10 1ig4 n GLY 12 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.05 3.28 0.00 1.61 0.04 -1.26 -3.30 135.00 135.32 1ig4 s PRO 13 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1ig4 s PRO 13 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1ig4 s PRO 13 CO 0.00 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1ig4 n GLY 14 N 5.29 3.06 3.77 0.56 0.00 -1.26 -4.89 105.19 111.72 1ig4 n GLY 14 Ca 0.15 -0.40 -0.38 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 0.00 2.95 0.05 1.61 0.52 -1.21 -3.94 118.94 118.93 1ig4 s TRP 15 Ca 0.00 1.51 0.04 0.00 0.02 0.00 0.00 56.10 57.67 1ig4 s TRP 15 Cb 0.00 -3.47 -0.03 0.00 -1.15 0.00 0.00 33.47 28.82 1ig4 s TRP 15 CO 0.00 -1.59 -0.11 0.15 0.02 0.00 0.00 176.95 175.42 1ig4 s LYS 16 N -2.37 0.69 -0.01 4.98 3.01 -1.01 -2.48 119.74 122.56 1ig4 s LYS 16 Ca 0.59 -0.84 0.03 0.00 -1.01 0.00 0.00 55.97 54.74 1ig4 s LYS 16 Cb -0.32 -0.59 -0.00 0.00 -1.01 0.00 0.00 37.83 35.90 1ig4 s LYS 16 CO 0.41 0.13 -0.10 0.50 0.51 0.00 0.00 175.35 176.79 1ig4 s ARG 17 N -1.59 0.89 -0.00 1.68 3.52 0.17 -1.16 118.95 122.45 1ig4 s ARG 17 Ca -0.05 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1ig4 s ARG 17 Cb -0.10 -0.85 -0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1ig4 s ARG 17 CO 0.01 0.19 -0.04 0.50 -0.81 0.00 0.00 175.30 175.16 1ig4 s ARG 18 N -0.11 0.30 -0.02 5.12 6.06 -0.08 -0.13 118.95 130.09 1ig4 s ARG 18 Ca 0.02 -0.15 -0.04 0.00 -2.50 0.00 0.00 55.73 53.06 1ig4 s ARG 18 Cb -0.06 -0.28 -0.04 0.00 0.06 0.00 0.00 34.95 34.63 1ig4 s ARG 18 CO -0.00 0.08 0.19 -1.21 -2.50 0.00 0.00 175.30 171.86 1ig4 s GLU 19 N -0.13 3.47 -0.30 5.12 2.02 -1.26 -0.29 118.70 127.32 1ig4 s GLU 19 Ca 0.01 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1ig4 s GLU 19 Cb -0.02 -3.11 0.09 0.00 0.10 0.00 0.00 34.13 31.19 1ig4 s GLU 19 CO -0.00 0.69 0.04 0.08 0.02 0.00 0.00 175.26 176.09 1ig4 s VAL 20 N -1.27 1.51 -0.45 2.63 1.01 0.18 -4.94 120.40 119.07 1ig4 s VAL 20 Ca 0.25 -1.66 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 1ig4 s VAL 20 Cb -0.13 -2.04 -0.17 0.00 0.00 0.00 0.00 36.38 34.04 1ig4 s VAL 20 CO 0.16 -0.50 3.33 0.33 0.00 0.00 0.00 175.10 178.42 1ig4 n PHE 21 N 4.60 0.82 -0.66 5.22 -0.00 -1.26 0.38 117.46 126.57 1ig4 n PHE 21 Ca -0.03 -1.95 0.07 0.00 -0.00 0.00 0.00 57.45 55.55 1ig4 n PHE 21 Cb 0.43 -1.77 -0.02 0.00 -0.00 0.00 0.00 39.48 38.12 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 2.48 -1.01 0.00 -4.13 5.12 -0.55 -4.34 116.66 114.24 1ig4 n ARG 22 Ca 0.52 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 57.10 1ig4 n ARG 22 Cb 0.70 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 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 -1.81 0.00 -3.74 5.56 0.00 -1.26 -4.84 118.16 112.07 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 0.23 -0.57 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 0.45 0.00 0.00 0.00 177.40 177.85 1ig4 n SER 24 N -1.66 0.00 0.00 3.14 2.88 -1.26 -4.97 113.62 111.75 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 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.66 1.35 0.72 0.46 0.00 -1.26 -4.31 105.19 101.48 1ig4 n GLY 25 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.10 2.29 1.69 4.61 0.00 -1.26 -4.79 120.51 123.14 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 0.81 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.86 0.02 -1.47 0.00 -2.24 -1.26 -4.90 114.28 102.57 1ig4 n THR 27 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 1ig4 n THR 27 Cb 0.00 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.65 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 1.71 1.84 3.75 0.00 0.00 -1.26 -5.00 105.19 106.23 1ig4 n GLY 29 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.00 4.58 -0.50 1.61 3.00 -0.89 -4.87 118.95 120.88 1ig4 s ARG 30 Ca 0.00 1.20 -0.16 0.00 0.00 0.00 0.00 55.73 56.77 1ig4 s ARG 30 Cb 0.00 -3.32 0.10 0.00 0.00 0.00 0.00 34.95 31.72 1ig4 s ARG 30 CO 0.00 0.39 0.44 -1.54 0.00 0.00 0.00 175.30 174.59 1ig4 s SER 31 N -0.50 6.17 -0.27 0.23 1.04 -1.26 -1.48 113.70 117.62 1ig4 s SER 31 Ca 0.39 -1.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.19 1ig4 s SER 31 Cb -0.22 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1ig4 s SER 31 CO 0.26 -0.74 0.20 -1.81 0.98 0.00 0.00 173.24 172.13 1ig4 s ASP 32 N 3.02 6.05 -0.22 7.02 1.11 0.16 -4.81 116.67 128.99 1ig4 s ASP 32 Ca 0.04 0.02 -0.11 0.00 0.18 0.00 0.00 52.55 52.68 1ig4 s ASP 32 Cb -0.27 -2.13 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 1ig4 s ASP 32 CO 0.05 -0.05 0.20 -0.89 1.18 0.00 0.00 175.17 175.67 1ig4 s THR 33 N 1.71 5.34 0.20 -1.27 2.01 -1.26 0.49 115.64 122.86 1ig4 s THR 33 Ca 0.08 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.43 1ig4 s THR 33 Cb -0.16 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ig4 s THR 33 CO 0.10 0.34 0.12 -0.31 -0.69 0.00 0.00 174.62 174.19 1ig4 s TYR 34 N 0.98 3.05 0.07 4.92 1.51 0.60 -4.71 117.35 123.76 1ig4 s TYR 34 Ca 0.10 -0.09 -0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1ig4 s TYR 34 Cb -0.13 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1ig4 s TYR 34 CO 0.04 0.53 -0.03 0.71 -1.11 0.00 0.00 175.55 175.69 1ig4 s TYR 35 N -1.92 0.62 0.04 2.71 1.51 0.19 -0.90 117.35 119.60 1ig4 s TYR 35 Ca 0.31 -1.05 0.07 0.00 -1.01 0.00 0.00 57.07 55.39 1ig4 s TYR 35 Cb -0.09 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.31 1ig4 s TYR 35 CO 0.23 -0.35 -0.21 -1.14 -1.11 0.00 0.00 175.55 172.97 1ig4 s GLN 36 N -3.91 1.40 1.10 -0.62 0.74 -0.31 0.35 119.66 118.41 1ig4 s GLN 36 Ca 0.09 -0.95 -0.16 0.00 0.05 0.00 0.00 55.36 54.40 1ig4 s GLN 36 Cb 0.07 -1.51 0.21 0.00 1.10 0.00 0.00 33.01 32.88 1ig4 s GLN 36 CO -0.08 0.39 0.42 -1.13 -0.55 0.00 0.00 175.29 174.34 1ig4 n SER 37 N 1.83 -3.17 -0.17 6.67 3.41 0.26 -2.39 113.62 120.05 1ig4 n SER 37 Ca -0.17 -0.46 0.15 0.00 -0.26 0.00 0.00 58.87 58.13 1ig4 n SER 37 Cb 0.53 -0.83 0.75 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.57 1.15 -0.30 4.33 -0.04 -1.25 -3.67 135.00 132.64 1ig4 n PRO 38 Ca 0.07 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1ig4 n PRO 38 Cb 0.41 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.63 0.00 0.00 0.52 5.66 -1.26 -4.26 114.28 114.32 1ig4 n THR 39 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1ig4 n THR 39 Cb 0.22 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 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 0.74 0.00 1.09 0.00 -1.26 -5.18 105.19 100.58 1ig4 n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.50 1.61 2.03 -1.26 -4.86 116.55 109.56 1ig4 n ASP 41 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1ig4 n ASP 41 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.60 3.23 -0.12 -0.67 1.81 -1.26 -0.58 118.95 120.77 1ig4 s ARG 42 Ca 0.00 -0.57 -0.06 0.00 -1.72 0.00 0.00 55.73 53.38 1ig4 s ARG 42 Cb 0.00 -3.94 -0.04 0.00 -0.45 0.00 0.00 34.95 30.53 1ig4 s ARG 42 CO 0.00 -0.85 0.11 0.42 -0.68 0.00 0.00 175.30 174.29 1ig4 s ILE 43 N 2.34 5.21 0.00 1.52 1.09 0.16 -4.94 121.20 126.58 1ig4 s ILE 43 Ca 0.16 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 1ig4 s ILE 43 Cb -0.16 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 1ig4 s ILE 43 CO 0.15 0.61 0.46 0.54 -0.10 0.00 0.00 174.94 176.59 1ig4 n ARG 44 N 2.11 -0.42 0.00 2.79 1.74 -1.26 -0.63 116.66 120.98 1ig4 n ARG 44 Ca -0.19 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.43 1ig4 n ARG 44 Cb 0.55 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 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 -0.07 0.00 0.06 0.55 7.64 -1.26 -4.78 113.62 115.76 1ig4 n SER 45 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1ig4 n SER 45 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.32 -0.54 1.43 3.64 -1.97 -3.19 116.57 116.26 1ig4 h LYS 46 Ca 0.00 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1ig4 h LYS 46 Cb 0.00 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1ig4 h LYS 46 CO 0.00 1.27 0.31 0.28 -2.27 0.00 0.00 179.45 179.03 1ig4 h VAL 47 N -0.32 1.17 -0.52 2.00 2.07 -1.97 0.52 116.25 119.20 1ig4 h VAL 47 Ca -0.16 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1ig4 h VAL 47 Cb 1.70 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1ig4 h VAL 47 CO 0.16 0.18 0.25 -0.08 0.02 0.00 0.00 177.57 178.10 1ig4 h GLU 48 N 0.72 0.46 -0.00 1.57 4.22 -1.95 0.17 114.58 119.76 1ig4 h GLU 48 Ca 0.19 -0.03 -0.26 0.00 0.08 0.00 0.00 59.36 59.35 1ig4 h GLU 48 Cb 0.02 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ig4 h GLU 48 CO -0.03 0.30 -1.01 1.25 -2.18 0.00 0.00 179.01 177.34 1ig4 h LEU 49 N 0.47 0.81 0.07 1.64 6.46 -1.47 -2.99 115.31 120.31 1ig4 h LEU 49 Ca 0.24 -0.65 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 1ig4 h LEU 49 Cb 0.18 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1ig4 h LEU 49 CO -0.19 1.45 -0.06 0.74 -0.62 0.00 0.00 178.44 179.76 1ig4 h THR 50 N 0.35 0.86 -0.94 1.05 2.02 0.52 -1.82 112.91 114.96 1ig4 h THR 50 Ca -0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1ig4 h THR 50 Cb 1.66 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 1ig4 h THR 50 CO 0.19 0.00 0.61 0.08 0.37 0.00 0.00 175.52 176.77 1ig4 h ARG 51 N -0.15 1.14 0.00 6.66 -0.00 -0.76 0.09 114.38 121.36 1ig4 h ARG 51 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.98 59.89 1ig4 h ARG 51 Cb 0.14 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.97 29.85 1ig4 h ARG 51 CO -0.01 0.75 -0.12 -0.92 -0.00 0.00 0.00 179.97 179.67 1ig4 h TYR 52 N 1.17 0.00 -0.22 4.08 3.20 -1.31 -0.95 116.97 122.94 1ig4 h TYR 52 Ca 0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1ig4 h TYR 52 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1ig4 h TYR 52 CO -0.01 0.12 0.00 1.28 -1.64 0.00 0.00 178.16 177.91 1ig4 n LEU 53 N -3.62 2.33 0.00 2.82 4.77 -0.07 -5.02 117.00 118.20 1ig4 n LEU 53 Ca -0.02 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1ig4 n LEU 53 Cb 0.24 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ig4 n LEU 53 CO 0.30 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1ig4 n GLY 54 N 1.27 3.23 0.18 -0.72 0.00 -0.36 -4.43 105.19 104.36 1ig4 n GLY 54 Ca 0.17 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.53 1.61 0.13 -1.78 -2.72 132.00 128.70 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 0.43 0.00 0.00 -0.23 0.00 0.00 178.00 178.20 1ig4 n ALA 56 N -2.39 3.09 -1.92 -0.56 0.00 -1.26 -4.57 120.51 112.90 1ig4 n ALA 56 Ca -0.01 -1.73 -0.39 0.00 0.00 0.00 0.00 53.44 51.31 1ig4 n ALA 56 Cb 0.49 -0.91 0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.56 -1.87 -3.18 0.00 9.92 -1.26 -4.71 116.55 114.88 1ig4 n ASP 58 Ca 0.53 -0.12 -0.21 0.00 -0.53 0.00 0.00 54.79 54.47 1ig4 n ASP 58 Cb 0.29 -1.18 -0.05 0.00 -0.64 0.00 0.00 41.12 39.55 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 -3.86 0.43 0.25 0.64 4.77 -1.26 -4.93 117.00 113.03 1ig4 n LEU 59 Ca 0.03 -4.82 0.12 0.00 -0.03 0.00 0.00 56.01 51.31 1ig4 n LEU 59 Cb 0.56 0.69 0.76 0.00 -2.33 0.00 0.00 43.42 43.10 1ig4 n LEU 59 CO 0.55 2.18 1.11 0.74 -1.33 0.00 0.00 177.39 180.63 1ig4 h THR 60 N 1.53 0.76 0.02 -5.08 2.02 -2.01 -1.22 112.91 108.94 1ig4 h THR 60 Ca 0.08 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.05 1ig4 h THR 60 Cb 0.93 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1ig4 h THR 60 CO 0.47 0.00 -1.01 -0.07 0.37 0.00 0.00 175.52 175.29 1ig4 h LEU 61 N 0.00 0.09 -9.17 2.58 3.38 -1.95 -3.44 115.31 106.80 1ig4 h LEU 61 Ca 0.03 -0.09 -0.55 0.00 0.09 0.00 0.00 57.88 57.36 1ig4 h LEU 61 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ig4 h LEU 61 CO -0.00 1.04 1.20 0.12 0.09 0.00 0.00 178.44 180.88 1ig4 s PHE 62 N -2.79 1.72 -0.08 1.13 2.19 -0.46 -4.03 117.98 115.67 1ig4 s PHE 62 Ca -0.00 0.19 -0.24 0.00 0.33 0.00 0.00 56.93 57.21 1ig4 s PHE 62 Cb 0.10 -4.02 -0.03 0.00 -1.31 0.00 0.00 43.02 37.75 1ig4 s PHE 62 CO 0.83 -4.03 0.72 -0.51 1.83 0.00 0.00 175.22 174.06 1ig4 s ASP 63 N 4.62 6.99 0.05 6.13 1.01 -1.10 -4.92 116.67 129.46 1ig4 s ASP 63 Ca 0.80 1.19 -0.31 0.00 0.71 0.00 0.00 52.55 54.94 1ig4 s ASP 63 Cb -0.33 -2.42 -0.17 0.00 1.01 0.00 0.00 42.92 41.01 1ig4 s ASP 63 CO 0.33 -0.15 1.47 0.15 0.21 0.00 0.00 175.17 177.18 1ig4 h PHE 64 N 6.84 -1.06 0.50 4.23 3.57 -1.93 1.13 116.94 130.22 1ig4 h PHE 64 Ca -0.40 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1ig4 h PHE 64 Cb 1.19 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1ig4 h PHE 64 CO 0.66 -0.65 -0.37 -0.22 -2.23 0.00 0.00 178.31 175.50 1ig4 h LYS 65 N -1.11 -0.83 -0.05 1.11 1.63 -1.95 -3.09 116.57 112.29 1ig4 h LYS 65 Ca -0.11 0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1ig4 h LYS 65 Cb 0.86 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1ig4 h LYS 65 CO 0.17 -0.55 0.02 1.96 -3.45 0.00 0.00 179.45 177.60 1ig4 h GLN 66 N -0.86 0.06 -2.43 1.90 4.20 -1.98 -3.48 115.11 112.53 1ig4 h GLN 66 Ca -0.05 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1ig4 h GLN 66 Cb 0.72 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.52 1ig4 h GLN 66 CO 0.01 0.14 -0.12 0.41 -0.67 0.00 0.00 178.83 178.61 1ig4 n GLY 67 N -0.83 0.38 3.33 3.46 0.00 0.39 -5.00 105.19 106.92 1ig4 n GLY 67 Ca -0.06 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.05 0.06 -1.09 -0.61 -4.36 -1.25 -4.06 121.20 106.84 1ig4 s ILE 68 Ca 0.01 -0.46 -0.14 0.00 -0.26 0.00 0.00 60.65 59.81 1ig4 s ILE 68 Cb -0.01 -1.06 0.19 0.00 1.25 0.00 0.00 42.46 42.84 1ig4 s ILE 68 CO 0.11 -0.25 1.22 -0.76 0.24 0.00 0.00 174.94 175.50 1ig4 s LEU 69 N -2.41 5.55 0.08 0.37 1.43 -1.26 -2.70 118.68 119.74 1ig4 s LEU 69 Ca -0.01 -2.93 -0.20 0.00 -1.03 0.00 0.00 54.13 49.97 1ig4 s LEU 69 Cb 0.00 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 1ig4 s LEU 69 CO -0.07 -0.68 1.33 0.00 0.23 0.00 0.00 176.35 177.16 1ig4 n TYR 71 N -4.34 -2.59 -0.03 0.00 4.19 -1.26 -4.92 117.16 108.21 1ig4 n TYR 71 Ca -0.01 1.01 -0.14 0.00 3.31 0.00 0.00 57.90 62.07 1ig4 n TYR 71 Cb 0.20 -3.54 -0.10 0.00 0.49 0.00 0.00 39.34 36.38 1ig4 n TYR 71 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1ig4 h PRO 72 N 0.16 0.09 -6.58 2.98 0.13 -2.00 -3.43 132.00 123.34 1ig4 h PRO 72 Ca -0.27 -0.07 -0.52 0.00 -0.87 0.00 0.00 66.00 64.28 1ig4 h PRO 72 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1ig4 h PRO 72 CO 0.33 0.70 0.36 0.00 -0.23 0.00 0.00 178.00 179.16 1ig4 s ALA 73 N -3.70 3.25 0.06 -0.56 0.00 -1.26 -4.96 121.76 114.59 1ig4 s ALA 73 Ca -0.16 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 1ig4 s ALA 73 Cb 0.01 -3.28 -0.20 0.00 0.00 0.00 0.00 23.12 19.65 1ig4 s ALA 73 CO 0.70 -0.02 1.21 -1.00 0.00 0.00 0.00 175.76 176.65 1ig4 h PRO 74 N 5.51 0.62 -0.02 0.00 0.13 -2.01 -3.54 132.00 132.68 1ig4 h PRO 74 Ca -0.43 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.12 1ig4 h PRO 74 Cb 1.21 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ig4 h PRO 74 CO 0.72 1.20 0.00 1.17 -0.23 0.00 0.00 178.00 180.85