#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b98 s LEU 14 N 0.00 4.38 0.00 -4.62 0.20 -1.26 -5.04 118.68 112.34 1b98 s LEU 14 Ca 0.00 2.55 0.02 0.00 0.69 0.00 0.00 54.13 57.40 1b98 s LEU 14 Cb 0.00 -3.61 -0.01 0.00 -0.43 0.00 0.00 46.19 42.15 1b98 s LEU 14 CO 0.00 -0.71 0.09 0.00 -0.29 0.00 0.00 176.35 175.44 1b98 n ALA 15 N 3.14 0.38 0.09 5.97 0.00 -1.26 -5.04 120.51 123.80 1b98 n ALA 15 Ca 0.10 -1.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.00 1b98 n ALA 15 Cb 0.40 0.95 -0.02 0.00 0.00 0.00 0.00 19.45 20.79 1b98 n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b98 h VAL 16 N 1.42 1.54 -3.19 0.00 2.07 -1.96 -3.41 116.25 112.71 1b98 h VAL 16 Ca -0.23 -2.75 -0.57 0.00 0.82 0.00 0.00 66.70 63.97 1b98 h VAL 16 Cb 0.85 2.53 -0.36 0.00 -1.52 0.00 0.00 31.29 32.79 1b98 h VAL 16 CO 0.37 0.80 -0.82 0.00 0.02 0.00 0.00 177.57 177.93 1b98 s ASP 18 N 1.38 6.63 0.18 0.00 1.01 0.07 -4.97 116.67 120.98 1b98 s ASP 18 Ca 0.01 2.32 0.01 0.00 0.71 0.00 0.00 52.55 55.60 1b98 s ASP 18 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1b98 s ASP 18 CO -0.07 -0.94 0.35 0.00 0.21 0.00 0.00 175.17 174.72 1b98 s ALA 19 N 4.04 3.88 -0.09 5.23 0.00 -1.26 -1.42 121.76 132.14 1b98 s ALA 19 Ca 0.76 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1b98 s ALA 19 Cb -0.35 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 20.89 1b98 s ALA 19 CO 0.32 0.47 0.01 0.08 0.00 0.00 0.00 175.76 176.63 1b98 s VAL 20 N -1.83 0.38 0.05 0.00 1.01 0.79 -4.68 120.40 116.13 1b98 s VAL 20 Ca 0.37 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1b98 s VAL 20 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1b98 s VAL 20 CO 0.29 0.18 -0.24 -0.44 0.00 0.00 0.00 175.10 174.89 1b98 s SER 21 N 1.96 3.33 0.05 3.32 0.01 -1.26 -1.08 113.70 120.03 1b98 s SER 21 Ca 0.04 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.57 1b98 s SER 21 Cb -0.13 -0.36 0.06 0.00 0.21 0.00 0.00 66.02 65.80 1b98 s SER 21 CO -0.06 0.25 0.80 0.61 0.41 0.00 0.00 173.24 175.26 1b98 n GLY 22 N 1.66 0.55 3.63 3.44 0.00 -0.14 -4.98 105.19 109.35 1b98 n GLY 22 Ca -0.17 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1b98 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b98 s TRP 23 N -2.78 3.30 -0.33 1.61 0.52 -1.26 0.20 118.94 120.21 1b98 s TRP 23 Ca 0.18 0.61 -0.10 0.00 0.02 0.00 0.00 56.10 56.81 1b98 s TRP 23 Cb -0.01 -2.65 -0.00 0.00 -1.15 0.00 0.00 33.47 29.66 1b98 s TRP 23 CO 0.01 -0.20 0.17 0.08 0.02 0.00 0.00 176.95 177.04 1b98 s VAL 24 N 1.99 4.69 -0.22 4.03 1.01 0.21 -4.90 120.40 127.21 1b98 s VAL 24 Ca 0.20 -0.47 0.16 0.00 0.00 0.00 0.00 61.98 61.87 1b98 s VAL 24 Cb -0.15 -3.43 -0.22 0.00 0.00 0.00 0.00 36.38 32.57 1b98 s VAL 24 CO 0.09 0.00 0.43 0.35 0.00 0.00 0.00 175.10 175.97 1b98 n THR 25 N 5.00 0.00 -1.02 3.92 -2.24 -1.26 -2.49 114.28 116.19 1b98 n THR 25 Ca -0.13 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1b98 n THR 25 Cb 0.49 0.39 0.24 0.00 -2.10 0.00 0.00 70.33 69.34 1b98 n THR 25 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b98 n ASP 26 N -1.85 3.62 -4.66 3.42 5.75 -1.26 -4.94 116.55 116.62 1b98 n ASP 26 Ca -0.01 -3.05 -0.43 0.00 -0.01 0.00 0.00 54.79 51.29 1b98 n ASP 26 Cb 0.36 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.89 1b98 n ASP 26 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1b98 s ARG 27 N -2.85 4.21 -0.05 0.11 3.52 -1.26 -4.82 118.95 117.81 1b98 s ARG 27 Ca 0.41 1.95 0.10 0.00 -0.13 0.00 0.00 55.73 58.05 1b98 s ARG 27 Cb 0.33 -3.86 -0.15 0.00 -1.56 0.00 0.00 34.95 29.72 1b98 s ARG 27 CO 0.08 -0.76 0.15 2.89 -0.81 0.00 0.00 175.30 176.84 1b98 n ARG 28 N 6.76 1.25 -4.33 5.12 1.85 -1.26 -4.64 116.66 121.41 1b98 n ARG 28 Ca 0.15 -0.06 -0.20 0.00 -1.00 0.00 0.00 57.85 56.75 1b98 n ARG 28 Cb 0.44 -1.25 -0.11 0.00 -1.05 0.00 0.00 32.46 30.49 1b98 n ARG 28 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1b98 s THR 29 N -2.52 1.73 -0.15 8.89 -4.23 -1.26 0.28 115.64 118.39 1b98 s THR 29 Ca -0.04 -2.04 -0.30 0.00 -1.18 0.00 0.00 61.69 58.13 1b98 s THR 29 Cb 0.05 -1.90 0.13 0.00 1.34 0.00 0.00 72.50 72.12 1b98 s THR 29 CO 0.43 -0.46 1.04 0.00 -0.54 0.00 0.00 174.62 175.09 1b98 s ALA 30 N -2.49 -1.95 -0.11 3.99 0.00 -1.01 -4.88 121.76 115.32 1b98 s ALA 30 Ca 0.18 1.51 -0.24 0.00 0.00 0.00 0.00 51.96 53.41 1b98 s ALA 30 Cb -0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1b98 s ALA 30 CO 0.06 -0.41 0.75 0.08 0.00 0.00 0.00 175.76 176.24 1b98 s VAL 31 N -1.66 4.98 0.57 0.00 1.01 -1.25 0.48 120.40 124.52 1b98 s VAL 31 Ca 0.02 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.47 1b98 s VAL 31 Cb -0.01 -4.08 0.12 0.00 0.00 0.00 0.00 36.38 32.42 1b98 s VAL 31 CO -0.02 0.16 0.78 -0.90 0.00 0.00 0.00 175.10 175.12 1b98 n ASP 32 N 4.36 0.67 0.31 3.32 5.75 0.26 -1.85 116.55 129.37 1b98 n ASP 32 Ca 0.01 -1.66 0.20 0.00 -0.01 0.00 0.00 54.79 53.33 1b98 n ASP 32 Cb 0.50 -0.54 1.07 0.00 -1.03 0.00 0.00 41.12 41.13 1b98 n ASP 32 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1b98 h LEU 33 N 0.00 0.00 -1.43 -2.12 5.85 -1.83 -2.41 115.31 113.36 1b98 h LEU 33 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1b98 h LEU 33 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1b98 h LEU 33 CO 0.24 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 178.88 1b98 n ARG 34 N -2.93 1.99 -0.28 1.25 1.74 -1.26 -4.93 116.66 112.23 1b98 n ARG 34 Ca -0.03 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 1b98 n ARG 34 Cb 0.11 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1b98 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b98 n GLY 35 N 1.26 0.76 3.93 -0.13 0.00 -0.91 -5.06 105.19 105.05 1b98 n GLY 35 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1b98 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b98 s ARG 36 N -0.64 3.52 -0.09 1.61 1.81 -1.26 -4.76 118.95 119.13 1b98 s ARG 36 Ca 0.00 -0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 53.36 1b98 s ARG 36 Cb 0.00 -2.79 -0.01 0.00 -0.45 0.00 0.00 34.95 31.69 1b98 s ARG 36 CO 0.00 0.34 1.02 -2.00 -0.68 0.00 0.00 175.30 173.97 1b98 s GLU 37 N -3.60 4.43 0.10 3.54 2.56 -1.26 0.89 118.70 125.35 1b98 s GLU 37 Ca 0.39 1.41 0.08 0.00 0.00 0.00 0.00 54.97 56.85 1b98 s GLU 37 Cb -0.10 -3.54 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 1b98 s GLU 37 CO 0.30 -0.30 -0.20 0.14 -0.56 0.00 0.00 175.26 174.65 1b98 s VAL 38 N 1.94 1.61 0.08 3.70 -7.23 0.18 -4.91 120.40 115.76 1b98 s VAL 38 Ca 0.49 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 1b98 s VAL 38 Cb -0.19 -1.48 -0.06 0.00 0.56 0.00 0.00 36.38 35.22 1b98 s VAL 38 CO 0.19 -0.08 1.17 -1.61 -0.31 0.00 0.00 175.10 174.46 1b98 s GLU 39 N -1.87 4.46 -0.30 4.82 2.02 -1.08 -2.40 118.70 124.36 1b98 s GLU 39 Ca 0.05 1.75 -0.11 0.00 0.02 0.00 0.00 54.97 56.68 1b98 s GLU 39 Cb -0.10 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1b98 s GLU 39 CO 0.04 -0.20 0.20 0.08 0.02 0.00 0.00 175.26 175.40 1b98 s VAL 40 N 0.84 5.17 0.41 2.63 1.01 0.81 -1.59 120.40 129.68 1b98 s VAL 40 Ca 0.57 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1b98 s VAL 40 Cb -0.29 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 1b98 s VAL 40 CO 0.30 0.15 1.42 0.18 0.00 0.00 0.00 175.10 177.15 1b98 n LEU 41 N 5.06 4.70 0.18 3.92 4.32 -0.93 -4.50 117.00 129.75 1b98 n LEU 41 Ca -0.14 1.17 0.05 0.00 -0.02 0.00 0.00 56.01 57.07 1b98 n LEU 41 Cb 0.51 -1.59 0.33 0.00 -1.62 0.00 0.00 43.42 41.05 1b98 n LEU 41 CO 0.34 -0.13 0.66 1.23 -1.22 0.00 0.00 177.39 178.28 1b98 h GLY 42 N 2.54 0.00 -2.46 -0.72 0.00 -1.90 -3.43 103.07 97.10 1b98 h GLY 42 Ca -0.50 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1b98 h GLY 42 CO 0.62 0.00 -0.31 -1.83 0.00 0.00 0.00 176.54 175.02 1b98 s GLU 43 N -3.68 1.35 0.22 4.80 -1.05 -1.26 -2.09 118.70 117.00 1b98 s GLU 43 Ca -0.00 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.48 1b98 s GLU 43 Cb 0.12 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1b98 s GLU 43 CO 0.70 -0.52 0.00 1.33 0.95 0.00 0.00 175.26 177.72 1b98 n VAL 44 N -0.31 0.00 0.00 1.83 0.24 -1.26 -4.65 118.33 114.18 1b98 n VAL 44 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1b98 n VAL 44 Cb 0.63 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1b98 n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b98 n LEU 52 N -3.18 0.00 -3.66 1.34 -0.00 -1.26 -5.11 117.00 105.13 1b98 n LEU 52 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 1b98 n LEU 52 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1b98 n LEU 52 CO 0.00 0.00 0.13 -0.13 -0.00 0.00 0.00 177.39 177.39 1b98 s ARG 53 N 0.00 0.45 -0.51 1.47 0.52 -1.26 -5.13 118.95 114.49 1b98 s ARG 53 Ca 0.00 1.10 -0.28 0.00 -0.52 0.00 0.00 55.73 56.03 1b98 s ARG 53 Cb 0.00 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.83 1b98 s ARG 53 CO 0.00 -0.20 1.10 -1.14 0.02 0.00 0.00 175.30 175.08 1b98 s GLN 54 N 2.23 3.60 0.37 3.54 0.74 -0.89 -4.92 119.66 124.35 1b98 s GLN 54 Ca -0.06 0.35 0.08 0.00 0.05 0.00 0.00 55.36 55.78 1b98 s GLN 54 Cb -0.10 -3.95 -0.05 0.00 1.10 0.00 0.00 33.01 30.01 1b98 s GLN 54 CO -0.15 -1.44 0.10 0.71 -0.55 0.00 0.00 175.29 173.96 1b98 s TYR 55 N 4.42 2.59 0.02 1.67 2.02 -1.26 -4.83 117.35 121.98 1b98 s TYR 55 Ca 0.43 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 1b98 s TYR 55 Cb -0.08 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1b98 s TYR 55 CO 0.28 0.34 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.49 1b98 s PHE 56 N -2.55 0.41 -0.46 2.71 0.08 -1.04 -4.99 117.98 112.15 1b98 s PHE 56 Ca 0.38 -0.30 -0.17 0.00 0.12 0.00 0.00 56.93 56.96 1b98 s PHE 56 Cb 0.02 -0.26 0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1b98 s PHE 56 CO 0.21 -0.07 0.45 0.12 -0.10 0.00 0.00 175.22 175.83 1b98 s PHE 57 N -0.80 3.18 0.07 0.36 5.36 -1.26 0.65 117.98 125.53 1b98 s PHE 57 Ca -0.06 -0.63 0.05 0.00 -0.96 0.00 0.00 56.93 55.32 1b98 s PHE 57 Cb -0.06 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.48 1b98 s PHE 57 CO -0.00 -0.80 -0.03 -1.21 -1.46 0.00 0.00 175.22 171.72 1b98 s GLU 58 N 2.02 2.49 -0.07 10.12 2.02 0.55 -4.87 118.70 130.95 1b98 s GLU 58 Ca 0.09 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1b98 s GLU 58 Cb -0.20 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1b98 s GLU 58 CO 0.10 0.55 -0.04 0.99 0.02 0.00 0.00 175.26 176.88 1b98 s THR 59 N -1.22 0.64 0.37 3.63 2.01 0.38 -0.97 115.64 120.49 1b98 s THR 59 Ca 0.23 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1b98 s THR 59 Cb -0.11 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1b98 s THR 59 CO 0.15 0.28 0.07 -0.13 -0.69 0.00 0.00 174.62 174.29 1b98 s ARG 60 N 1.41 1.81 0.45 4.92 0.52 -0.24 -1.87 118.95 125.96 1b98 s ARG 60 Ca -0.03 -2.05 -0.21 0.00 -0.52 0.00 0.00 55.73 52.92 1b98 s ARG 60 Cb -0.13 -0.95 -0.10 0.00 0.52 0.00 0.00 34.95 34.28 1b98 s ARG 60 CO -0.03 -0.27 0.98 0.00 0.02 0.00 0.00 175.30 176.00 1b98 s LYS 62 N -3.16 4.15 0.35 0.00 2.20 -0.50 -4.65 119.74 118.13 1b98 s LYS 62 Ca 0.63 1.90 -0.11 0.00 -0.36 0.00 0.00 55.97 58.04 1b98 s LYS 62 Cb -0.12 -2.78 -0.07 0.00 -1.51 0.00 0.00 37.83 33.35 1b98 s LYS 62 CO 0.16 -0.26 0.71 0.00 -0.36 0.00 0.00 175.35 175.60 1b98 s ALA 63 N -1.34 3.40 0.47 3.13 0.00 -1.26 0.69 121.76 126.84 1b98 s ALA 63 Ca 0.55 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 1b98 s ALA 63 Cb -0.32 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 1b98 s ALA 63 CO 0.41 0.15 1.01 -0.25 0.00 0.00 0.00 175.76 177.08 1b98 n ASP 64 N -0.92 1.19 -3.94 0.00 8.00 -1.26 -4.86 116.55 114.76 1b98 n ASP 64 Ca 0.02 0.98 -0.27 0.00 0.71 0.00 0.00 54.79 56.23 1b98 n ASP 64 Cb 0.54 -1.37 -0.17 0.00 -0.02 0.00 0.00 41.12 40.10 1b98 n ASP 64 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1b98 s ASN 65 N -0.85 2.14 0.61 -2.24 3.84 -1.26 -5.03 114.94 112.16 1b98 s ASN 65 Ca 0.66 -0.32 0.32 0.00 0.21 0.00 0.00 52.86 53.73 1b98 s ASN 65 Cb -0.51 -0.87 1.82 0.00 -0.55 0.00 0.00 41.25 41.13 1b98 s ASN 65 CO 0.55 -0.08 2.16 0.00 -2.79 0.00 0.00 177.10 176.94 1b98 h ALA 66 N 7.90 1.57 0.05 1.71 0.00 -1.98 0.44 119.26 128.95 1b98 h ALA 66 Ca -0.31 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1b98 h ALA 66 Cb 1.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1b98 h ALA 66 CO 0.44 -0.19 -1.53 1.49 0.00 0.00 0.00 179.25 179.45 1b98 h GLU 67 N 0.00 0.11 0.00 0.00 4.81 -2.03 -3.41 114.58 114.05 1b98 h GLU 67 Ca 0.05 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1b98 h GLU 67 Cb 0.33 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1b98 h GLU 67 CO -0.00 0.87 -0.28 0.93 -0.73 0.00 0.00 179.01 179.80 1b98 h GLU 68 N 0.03 0.00 0.00 1.92 5.08 -1.60 -3.50 114.58 116.50 1b98 h GLU 68 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1b98 h GLU 68 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1b98 h GLU 68 CO 0.12 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1b98 n GLY 69 N 1.69 0.92 0.00 -3.84 0.00 0.14 -5.01 105.19 99.10 1b98 n GLY 69 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1b98 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b98 n GLY 70 N 0.00 -1.24 3.96 -0.02 0.00 -1.26 -4.93 105.19 101.70 1b98 n GLY 70 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 1b98 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b98 s PRO 71 N -1.14 1.73 0.00 1.61 0.04 -1.26 -4.60 135.00 131.38 1b98 s PRO 71 Ca 0.00 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1b98 s PRO 71 Cb 0.00 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1b98 s PRO 71 CO 0.00 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.94 1b98 n GLY 72 N -3.02 0.73 3.87 0.56 0.00 -0.82 -4.57 105.19 101.95 1b98 n GLY 72 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1b98 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b98 s ALA 73 N -2.23 3.76 0.00 4.61 0.00 -1.26 -0.75 121.76 125.88 1b98 s ALA 73 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1b98 s ALA 73 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1b98 s ALA 73 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1b98 n GLY 74 N -0.47 0.00 2.68 0.00 0.00 0.22 -0.83 105.19 106.78 1b98 n GLY 74 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 1b98 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b98 n GLY 75 N -0.19 2.14 3.88 -0.02 0.00 -1.25 -4.24 105.19 105.52 1b98 n GLY 75 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 1b98 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b98 s GLY 76 N -3.68 2.14 0.34 -0.02 0.00 -0.01 -4.82 107.32 101.27 1b98 s GLY 76 Ca 0.29 -1.87 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 1b98 s GLY 76 CO -0.04 -1.71 1.40 -0.32 0.00 0.00 0.00 173.10 172.43 1b98 s GLY 77 N -4.15 2.90 0.23 0.20 0.00 -1.25 -1.08 107.32 104.16 1b98 s GLY 77 Ca 0.48 1.41 -0.30 0.00 0.00 0.00 0.00 44.72 46.31 1b98 s GLY 77 CO 0.28 2.10 1.07 0.00 0.00 0.00 0.00 173.10 176.55 1b98 n ARG 79 N 1.78 1.16 0.00 0.00 0.63 -0.23 -3.03 116.66 116.98 1b98 n ARG 79 Ca 0.00 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1b98 n ARG 79 Cb 0.46 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.19 1b98 n ARG 79 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b98 n GLY 80 N 1.19 1.16 3.77 5.14 0.00 -1.26 -4.59 105.19 110.60 1b98 n GLY 80 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1b98 n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b98 s VAL 81 N -1.16 3.12 -0.43 1.61 -7.23 -1.17 -4.92 120.40 110.22 1b98 s VAL 81 Ca 0.00 0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 60.68 1b98 s VAL 81 Cb 0.00 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.55 1b98 s VAL 81 CO 0.00 -0.07 1.89 -0.62 -0.31 0.00 0.00 175.10 176.00 1b98 s ASP 82 N -1.51 5.54 0.49 4.85 -1.08 -1.26 -4.85 116.67 118.85 1b98 s ASP 82 Ca 0.67 1.01 0.24 0.00 -0.52 0.00 0.00 52.55 53.96 1b98 s ASP 82 Cb -0.27 -2.52 1.29 0.00 -1.46 0.00 0.00 42.92 39.95 1b98 s ASP 82 CO 0.32 -2.04 2.02 0.08 0.52 0.00 0.00 175.17 176.07 1b98 h ARG 83 N 14.26 0.00 -0.86 4.34 0.11 -1.92 -1.82 114.38 128.49 1b98 h ARG 83 Ca -0.31 0.00 0.12 0.00 0.10 0.00 0.00 59.98 59.90 1b98 h ARG 83 Cb 1.18 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.19 1b98 h ARG 83 CO 1.10 0.16 0.56 0.00 0.10 0.00 0.00 179.97 181.89 1b98 h ARG 84 N 0.00 0.71 0.00 0.08 3.08 -2.00 -3.21 114.38 113.04 1b98 h ARG 84 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1b98 h ARG 84 Cb 0.40 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1b98 h ARG 84 CO 0.02 0.47 -0.79 0.72 -1.07 0.00 0.00 179.97 179.32 1b98 n HIS 85 N -4.54 0.00 -4.03 3.04 8.25 -0.83 -4.79 115.22 112.32 1b98 n HIS 85 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 1b98 n HIS 85 Cb 0.40 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 1b98 n HIS 85 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1b98 s TRP 86 N -2.00 0.50 -0.16 4.41 0.52 -0.75 -1.58 118.94 119.88 1b98 s TRP 86 Ca -0.00 -0.52 -0.03 0.00 0.02 0.00 0.00 56.10 55.57 1b98 s TRP 86 Cb 0.04 -0.32 -0.02 0.00 -1.15 0.00 0.00 33.47 32.03 1b98 s TRP 86 CO 0.25 -0.13 -0.07 0.08 0.02 0.00 0.00 176.95 177.10 1b98 s VAL 87 N -1.46 3.49 0.23 4.03 1.01 -1.26 -4.32 120.40 122.12 1b98 s VAL 87 Ca -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1b98 s VAL 87 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1b98 s VAL 87 CO -0.00 0.49 0.08 -0.94 0.00 0.00 0.00 175.10 174.72 1b98 s SER 88 N 0.63 1.12 -0.25 3.32 1.04 -1.26 -1.91 113.70 116.39 1b98 s SER 88 Ca -0.04 -1.33 -0.12 0.00 0.48 0.00 0.00 55.95 54.94 1b98 s SER 88 Cb -0.15 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.23 1b98 s SER 88 CO 0.03 -0.70 0.59 -0.70 0.98 0.00 0.00 173.24 173.44 1b98 s GLU 89 N -4.01 0.56 -0.13 4.02 2.12 -0.51 -3.87 118.70 116.88 1b98 s GLU 89 Ca 0.35 1.19 -0.29 0.00 0.36 0.00 0.00 54.97 56.57 1b98 s GLU 89 Cb 0.07 0.35 -0.02 0.00 0.26 0.00 0.00 34.13 34.80 1b98 s GLU 89 CO 0.11 -0.18 1.17 0.00 -0.54 0.00 0.00 175.26 175.83 1b98 s LYS 91 N 2.84 0.71 0.27 0.00 1.02 -0.80 -3.74 119.74 120.05 1b98 s LYS 91 Ca 0.52 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 1b98 s LYS 91 Cb -0.21 -0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 36.58 1b98 s LYS 91 CO 0.16 0.07 1.10 0.00 -0.92 0.00 0.00 175.35 175.76 1b98 s ALA 92 N -2.04 3.41 -0.01 5.17 0.00 -1.26 -0.90 121.76 126.12 1b98 s ALA 92 Ca -0.01 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1b98 s ALA 92 Cb -0.05 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1b98 s ALA 92 CO -0.00 -0.17 0.03 0.21 0.00 0.00 0.00 175.76 175.83 1b98 s LYS 93 N -1.34 2.91 0.23 0.00 2.47 0.86 -4.86 119.74 120.00 1b98 s LYS 93 Ca 0.45 -0.54 0.10 0.00 -1.56 0.00 0.00 55.97 54.41 1b98 s LYS 93 Cb -0.32 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.26 1b98 s LYS 93 CO 0.40 0.64 -0.08 -0.65 0.16 0.00 0.00 175.35 175.82 1b98 s GLN 94 N -1.56 2.07 0.28 4.03 -0.21 -1.26 -1.28 119.66 121.73 1b98 s GLN 94 Ca 0.20 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.16 1b98 s GLN 94 Cb -0.12 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 1b98 s GLN 94 CO 0.11 0.39 0.29 -1.12 -2.12 0.00 0.00 175.29 172.83 1b98 s SER 95 N -3.28 0.77 -0.15 5.90 0.01 -0.78 -4.81 113.70 111.36 1b98 s SER 95 Ca 0.28 -1.48 -0.08 0.00 1.31 0.00 0.00 55.95 55.99 1b98 s SER 95 Cb -0.07 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1b98 s SER 95 CO 0.17 -1.04 0.13 -0.31 0.41 0.00 0.00 173.24 172.60 1b98 s TYR 96 N -3.69 3.50 0.03 2.43 2.02 -1.26 -1.33 117.35 119.05 1b98 s TYR 96 Ca 0.36 0.43 0.07 0.00 -0.37 0.00 0.00 57.07 57.56 1b98 s TYR 96 Cb 0.03 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1b98 s TYR 96 CO 0.18 0.55 -0.21 0.14 -1.57 0.00 0.00 175.55 174.64 1b98 s VAL 97 N -0.49 1.70 0.05 0.71 -7.23 0.15 -4.85 120.40 110.44 1b98 s VAL 97 Ca 0.12 -1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.83 1b98 s VAL 97 Cb -0.12 -1.46 -0.07 0.00 0.56 0.00 0.00 36.38 35.29 1b98 s VAL 97 CO 0.02 0.27 1.50 -0.13 -0.31 0.00 0.00 175.10 176.45 1b98 s ARG 98 N -1.04 4.25 -0.02 4.82 1.81 -1.26 0.27 118.95 127.78 1b98 s ARG 98 Ca 0.08 2.13 -0.03 0.00 -1.72 0.00 0.00 55.73 56.19 1b98 s ARG 98 Cb -0.09 -3.51 0.00 0.00 -0.45 0.00 0.00 34.95 30.91 1b98 s ARG 98 CO 0.01 -0.61 0.07 0.00 -0.68 0.00 0.00 175.30 174.09 1b98 s ALA 99 N 2.21 -0.18 -0.21 2.13 0.00 0.19 -4.93 121.76 120.98 1b98 s ALA 99 Ca 0.68 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1b98 s ALA 99 Cb -0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1b98 s ALA 99 CO 0.29 -0.06 1.30 -1.17 0.00 0.00 0.00 175.76 176.13 1b98 s LEU 100 N -0.18 4.08 0.00 0.00 2.96 -1.26 -0.40 118.68 123.87 1b98 s LEU 100 Ca -0.02 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1b98 s LEU 100 Cb -0.02 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1b98 s LEU 100 CO 0.00 -0.89 0.01 0.35 -1.32 0.00 0.00 176.35 174.50 1b98 n THR 101 N 5.70 0.00 -3.76 3.68 -2.24 0.15 -2.20 114.28 115.60 1b98 n THR 101 Ca 0.15 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1b98 n THR 101 Cb 0.45 0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 1b98 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b98 s ALA 102 N -2.05 -0.80 -0.09 6.98 0.00 -0.62 -0.53 121.76 124.65 1b98 s ALA 102 Ca 0.01 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1b98 s ALA 102 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1b98 s ALA 102 CO 0.01 -0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.60 1b98 s VAL 108 N 0.07 3.49 0.00 0.00 1.01 -1.26 -2.62 120.40 121.09 1b98 s VAL 108 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1b98 s VAL 108 Cb -0.02 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1b98 s VAL 108 CO 0.01 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1b98 n GLY 109 N 2.68 1.75 3.66 4.51 0.00 0.31 -5.12 105.19 112.98 1b98 n GLY 109 Ca -0.18 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1b98 n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b98 s TRP 110 N -2.00 3.23 0.04 1.61 0.52 -1.25 0.31 118.94 121.40 1b98 s TRP 110 Ca 0.00 1.36 0.04 0.00 0.02 0.00 0.00 56.10 57.52 1b98 s TRP 110 Cb 0.00 -3.32 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 1b98 s TRP 110 CO 0.00 -0.79 -0.11 1.03 0.02 0.00 0.00 176.95 177.10 1b98 s ARG 111 N 3.08 0.73 -0.01 4.98 0.52 0.46 -4.91 118.95 123.81 1b98 s ARG 111 Ca 0.48 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 1b98 s ARG 111 Cb -0.17 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 1b98 s ARG 111 CO 0.10 0.16 1.23 -1.58 0.02 0.00 0.00 175.30 175.22 1b98 s TRP 112 N -1.01 3.23 0.14 -0.53 0.52 -1.26 0.55 118.94 120.58 1b98 s TRP 112 Ca -0.02 1.19 0.07 0.00 0.02 0.00 0.00 56.10 57.36 1b98 s TRP 112 Cb -0.08 -3.45 -0.04 0.00 -1.15 0.00 0.00 33.47 28.75 1b98 s TRP 112 CO 0.01 -1.45 -0.17 0.96 0.02 0.00 0.00 176.95 176.32 1b98 s ILE 113 N 1.85 1.60 -0.08 2.03 -4.36 0.14 -2.72 121.20 119.67 1b98 s ILE 113 Ca 0.58 -1.79 -0.27 0.00 -0.26 0.00 0.00 60.65 58.91 1b98 s ILE 113 Cb -0.27 -1.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1b98 s ILE 113 CO 0.25 -0.33 0.89 -0.13 0.24 0.00 0.00 174.94 175.85 1b98 s ARG 114 N -2.64 4.44 0.12 0.37 1.81 -0.77 -0.67 118.95 121.60 1b98 s ARG 114 Ca 0.12 1.19 0.04 0.00 -1.72 0.00 0.00 55.73 55.37 1b98 s ARG 114 Cb -0.06 -3.50 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1b98 s ARG 114 CO 0.05 -0.14 -0.11 0.96 -0.68 0.00 0.00 175.30 175.38 1b98 s ILE 115 N 1.43 1.11 -0.13 1.52 -4.36 -0.44 -4.71 121.20 115.62 1b98 s ILE 115 Ca 0.45 -1.81 -0.29 0.00 -0.26 0.00 0.00 60.65 58.73 1b98 s ILE 115 Cb -0.19 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 41.93 1b98 s ILE 115 CO 0.20 -0.60 1.14 -1.81 0.24 0.00 0.00 174.94 174.11 1b98 s ASP 116 N -2.72 7.08 0.00 4.36 1.01 -1.26 -1.87 116.67 123.27 1b98 s ASP 116 Ca 0.10 1.64 0.02 0.00 0.71 0.00 0.00 52.55 55.02 1b98 s ASP 116 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1b98 s ASP 116 CO 0.01 -0.62 0.35 0.35 0.21 0.00 0.00 175.17 175.47 1b98 n THR 117 N 4.93 0.00 -3.75 -1.27 -2.24 -0.40 0.15 114.28 111.69 1b98 n THR 117 Ca 0.11 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1b98 n THR 117 Cb 0.46 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1b98 n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b98 s ALA 118 N -0.56 -1.78 -0.30 6.98 0.00 -0.78 -4.46 121.76 120.86 1b98 s ALA 118 Ca 0.01 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 1b98 s ALA 118 Cb 0.01 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.80 1b98 s ALA 118 CO 0.04 -1.05 -0.01 0.00 0.00 0.00 0.00 175.76 174.74 1b98 s VAL 120 N 1.19 2.94 -0.03 0.00 -7.23 -0.08 -4.67 120.40 112.53 1b98 s VAL 120 Ca -0.04 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.27 1b98 s VAL 120 Cb -0.20 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1b98 s VAL 120 CO -0.03 -0.05 0.50 0.00 -0.31 0.00 0.00 175.10 175.21 1b98 s THR 122 N -0.28 2.64 -0.45 0.00 2.01 0.78 -4.94 115.64 115.40 1b98 s THR 122 Ca 0.27 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 1b98 s THR 122 Cb -0.17 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.37 1b98 s THR 122 CO 0.14 0.56 0.50 -0.76 -0.69 0.00 0.00 174.62 174.37 1b98 s LEU 123 N -0.77 4.93 0.00 4.42 1.43 -1.26 -1.42 118.68 126.01 1b98 s LEU 123 Ca 0.11 -0.77 0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1b98 s LEU 123 Cb -0.10 -2.42 0.25 0.00 0.03 0.00 0.00 46.19 43.95 1b98 s LEU 123 CO 0.00 -0.69 1.24 0.18 0.23 0.00 0.00 176.35 177.32 1b98 n LEU 124 N 5.78 1.30 0.00 1.79 4.77 -0.81 -5.02 117.00 124.82 1b98 n LEU 124 Ca -0.07 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1b98 n LEU 124 Cb 0.47 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1b98 n LEU 124 CO 0.49 0.26 0.00 -1.54 -1.33 0.00 0.00 177.39 175.27 1b98 n SER 125 N -0.72 0.62 -2.64 -1.43 3.41 -1.23 -5.03 113.62 106.60 1b98 n SER 125 Ca 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1b98 n SER 125 Cb 0.39 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1b98 n SER 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b98 n ARG 126 N 0.00 0.36 0.00 4.33 1.74 -1.26 -4.85 116.66 116.99 1b98 n ARG 126 Ca 0.00 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1b98 n ARG 126 Cb 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 1b98 n ARG 126 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52