#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q78 n HIS -3 N 0.00 2.43 -3.17 1.57 -0.00 -1.26 -4.48 115.22 110.31 2q78 n HIS -3 Ca 0.00 -2.48 -0.22 0.00 -0.00 0.00 0.00 57.72 55.03 2q78 n HIS -3 Cb 0.00 -1.50 -0.06 0.00 -0.00 0.00 0.00 29.99 28.43 2q78 n HIS -3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2q78 n HIS -2 N 0.82 -1.09 -2.85 4.41 -0.00 -1.26 -4.89 115.22 110.36 2q78 n HIS -2 Ca 0.55 -3.14 -0.11 0.00 -0.00 0.00 0.00 57.72 55.01 2q78 n HIS -2 Cb 0.32 0.16 0.05 0.00 -0.00 0.00 0.00 29.99 30.53 2q78 n HIS -2 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2q78 n HIS -1 N 1.95 -1.10 -4.48 4.41 -0.00 -1.26 -5.36 115.22 109.38 2q78 n HIS -1 Ca 0.22 -2.71 -0.21 0.00 -0.00 0.00 0.00 57.72 55.02 2q78 n HIS -1 Cb 0.53 0.63 -0.14 0.00 -0.00 0.00 0.00 29.99 31.01 2q78 n HIS -1 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2q78 s HIS 0 N -1.21 1.23 -0.33 -1.40 3.76 -1.26 -5.20 115.29 110.88 2q78 s HIS 0 Ca 0.28 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.83 2q78 s HIS 0 Cb 0.36 -0.75 0.03 0.00 1.11 0.00 0.00 32.58 33.33 2q78 s HIS 0 CO -0.05 0.01 0.10 0.34 -0.85 0.00 0.00 174.74 174.29 2q78 s ASP 3 N -0.76 5.28 0.00 1.40 -1.08 -1.26 -5.18 116.67 115.07 2q78 s ASP 3 Ca 0.03 -1.00 0.08 0.00 -0.52 0.00 0.00 52.55 51.15 2q78 s ASP 3 Cb -0.07 -1.88 0.28 0.00 -1.46 0.00 0.00 42.92 39.79 2q78 s ASP 3 CO 0.00 -0.29 1.22 0.49 0.52 0.00 0.00 175.17 177.12 2q78 n PHE 4 N 4.84 0.28 0.29 -5.34 3.72 -1.26 -4.24 117.46 115.75 2q78 n PHE 4 Ca -0.13 -0.14 0.19 0.00 -0.05 0.00 0.00 57.45 57.32 2q78 n PHE 4 Cb 0.46 0.00 1.02 0.00 -0.94 0.00 0.00 39.48 40.02 2q78 n PHE 4 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2q78 h ASP 5 N 1.32 0.00 0.00 4.37 5.19 -1.92 -0.88 116.42 124.51 2q78 h ASP 5 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2q78 h ASP 5 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2q78 h ASP 5 CO 0.00 0.00 0.23 2.19 -3.12 0.00 0.00 179.24 178.54 2q78 h PHE 6 N 0.00 0.00 0.00 4.55 -5.15 -2.03 -0.99 116.94 113.32 2q78 h PHE 6 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2q78 h PHE 6 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.19 2q78 h PHE 6 CO 0.00 0.00 -0.06 -0.07 -2.00 0.00 0.00 178.31 176.18 2q78 h LEU 7 N 0.00 0.00 -9.67 2.10 3.38 -1.52 -3.47 115.31 106.14 2q78 h LEU 7 Ca 0.00 -0.02 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 2q78 h LEU 7 Cb 0.46 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.27 2q78 h LEU 7 CO 0.00 0.01 0.90 -1.61 0.09 0.00 0.00 178.44 177.82 2q78 s GLU 8 N -3.12 4.19 0.00 1.13 2.02 -0.38 -2.15 118.70 120.39 2q78 s GLU 8 Ca 0.10 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.53 2q78 s GLU 8 Cb 0.11 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2q78 s GLU 8 CO 0.62 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2q78 n GLY 9 N 3.36 1.42 3.76 -1.39 0.00 -0.93 -5.02 105.19 106.39 2q78 n GLY 9 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2q78 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q78 s LYS 10 N -0.65 3.56 0.08 1.61 -0.14 -0.91 -4.74 119.74 118.55 2q78 s LYS 10 Ca 0.00 2.02 -0.06 0.00 -1.36 0.00 0.00 55.97 56.57 2q78 s LYS 10 Cb 0.00 -2.42 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 2q78 s LYS 10 CO 0.00 -0.78 0.11 -0.98 -0.76 0.00 0.00 175.35 172.94 2q78 s ARG 11 N -2.69 0.79 -0.23 1.68 1.70 -1.26 -0.75 118.95 118.19 2q78 s ARG 11 Ca 0.65 -1.08 -0.18 0.00 -0.47 0.00 0.00 55.73 54.65 2q78 s ARG 11 Cb -0.35 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.39 2q78 s ARG 11 CO 0.42 -0.22 0.59 -1.17 -1.08 0.00 0.00 175.30 173.84 2q78 s LEU 12 N -2.90 -0.37 -0.05 -1.89 2.96 -0.33 -5.01 118.68 111.10 2q78 s LEU 12 Ca 0.07 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 2q78 s LEU 12 Cb 0.06 2.01 -0.01 0.00 0.50 0.00 0.00 46.19 48.76 2q78 s LEU 12 CO -0.09 -0.21 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.62 2q78 s THR 13 N 0.70 1.74 0.06 3.68 2.01 -1.26 -0.29 115.64 122.27 2q78 s THR 13 Ca -0.03 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2q78 s THR 13 Cb -0.05 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2q78 s THR 13 CO -0.05 0.49 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.69 2q78 s GLU 14 N -0.11 0.61 -0.08 4.92 2.02 0.17 -4.97 118.70 121.26 2q78 s GLU 14 Ca -0.02 -0.91 -0.21 0.00 0.02 0.00 0.00 54.97 53.85 2q78 s GLU 14 Cb -0.12 -0.28 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 2q78 s GLU 14 CO 0.02 0.04 0.62 -0.51 0.02 0.00 0.00 175.26 175.45 2q78 s ASP 15 N -1.95 6.89 -0.04 -0.19 1.01 -1.26 -0.32 116.67 120.81 2q78 s ASP 15 Ca -0.04 1.07 0.03 0.00 0.71 0.00 0.00 52.55 54.31 2q78 s ASP 15 Cb -0.06 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.50 2q78 s ASP 15 CO -0.01 -0.06 -0.13 -0.69 0.21 0.00 0.00 175.17 174.50 2q78 s VAL 16 N 0.64 1.11 0.04 -1.27 1.01 0.35 -4.95 120.40 117.33 2q78 s VAL 16 Ca 0.33 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2q78 s VAL 16 Cb -0.17 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2q78 s VAL 16 CO 0.16 0.34 0.96 0.00 0.00 0.00 0.00 175.10 176.55 2q78 s ALA 17 N 0.23 3.20 -0.46 5.51 0.00 -1.26 -0.53 121.76 128.45 2q78 s ALA 17 Ca -0.06 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 2q78 s ALA 17 Cb -0.11 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2q78 s ALA 17 CO 0.02 -0.15 0.54 -0.51 0.00 0.00 0.00 175.76 175.66 2q78 s LEU 18 N 0.64 4.91 0.56 0.00 1.43 0.15 -4.96 118.68 121.41 2q78 s LEU 18 Ca 0.50 -0.76 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2q78 s LEU 18 Cb -0.22 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.63 2q78 s LEU 18 CO 0.28 -0.74 0.71 1.51 0.23 0.00 0.00 176.35 178.34 2q78 s ASP 19 N 2.24 5.04 0.52 2.29 1.47 -1.26 0.25 116.67 127.22 2q78 s ASP 19 Ca 0.14 -0.90 0.31 0.00 1.18 0.00 0.00 52.55 53.28 2q78 s ASP 19 Cb -0.18 0.28 1.26 0.00 -0.34 0.00 0.00 42.92 43.93 2q78 s ASP 19 CO 0.13 -1.27 1.95 -0.08 0.68 0.00 0.00 175.17 176.58 2q78 h GLU 20 N 0.31 0.00 -2.48 2.11 4.57 -1.98 -3.36 114.58 113.75 2q78 h GLU 20 Ca -0.31 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 2q78 h GLU 20 Cb 1.29 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 2q78 h GLU 20 CO 0.44 0.06 0.14 0.25 -1.18 0.00 0.00 179.01 178.72 2q78 n THR 21 N -3.19 0.98 0.00 0.32 -2.24 -1.26 -4.97 114.28 103.92 2q78 n THR 21 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2q78 n THR 21 Cb 0.33 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 2q78 n THR 21 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2q78 n VAL 23 N 2.57 -0.30 -2.38 2.28 3.14 -1.26 -5.06 118.33 117.32 2q78 n VAL 23 Ca 0.11 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.06 2q78 n VAL 23 Cb 0.29 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.05 2q78 n VAL 23 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 2q78 s TRP 24 N -2.03 2.48 -0.07 1.45 -0.00 0.52 -4.54 118.94 116.75 2q78 s TRP 24 Ca 0.00 0.72 0.10 0.00 -0.00 0.00 0.00 56.10 56.92 2q78 s TRP 24 Cb 0.00 -4.23 0.15 0.00 -0.00 0.00 0.00 33.47 29.40 2q78 s TRP 24 CO 0.00 -1.89 1.07 0.27 -0.00 0.00 0.00 176.95 176.40 2q78 n ASN 25 N 8.49 2.10 -0.02 5.86 0.23 -1.26 -4.70 115.26 125.96 2q78 n ASN 25 Ca 0.16 -2.56 -0.01 0.00 -0.53 0.00 0.00 54.58 51.63 2q78 n ASN 25 Cb 0.48 -0.23 0.26 0.00 -2.08 0.00 0.00 39.78 38.20 2q78 n ASN 25 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2q78 h GLU 26 N 0.00 0.57 -4.75 -3.83 5.08 -2.02 -3.40 114.58 106.24 2q78 h GLU 26 Ca 0.00 -0.14 -0.69 0.00 -1.00 0.00 0.00 59.36 57.53 2q78 h GLU 26 Cb 0.80 -0.07 -0.30 0.00 0.50 0.00 0.00 28.75 29.67 2q78 h GLU 26 CO 0.00 0.62 -0.66 0.34 -1.00 0.00 0.00 179.01 178.31 2q78 s ASP 27 N -6.73 5.03 0.29 1.42 -1.08 -1.26 -4.99 116.67 109.35 2q78 s ASP 27 Ca -0.08 -1.13 -0.02 0.00 -0.52 0.00 0.00 52.55 50.80 2q78 s ASP 27 Cb 0.15 -1.78 0.44 0.00 -1.46 0.00 0.00 42.92 40.26 2q78 s ASP 27 CO 0.78 -0.27 1.94 0.40 0.52 0.00 0.00 175.17 178.54 2q78 h ILE 28 N 6.27 1.17 0.00 4.11 5.03 -1.96 -3.14 117.51 128.98 2q78 h ILE 28 Ca -0.24 -0.39 -0.01 0.00 -0.12 0.00 0.00 64.86 64.10 2q78 h ILE 28 Cb 1.08 -0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 2q78 h ILE 28 CO 0.57 0.21 0.01 -0.62 -0.68 0.00 0.00 178.15 177.64 2q78 n GLU 29 N -4.44 0.55 0.00 2.37 1.02 -1.26 -4.71 120.64 114.17 2q78 n GLU 29 Ca 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2q78 n GLU 29 Cb 0.09 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2q78 n GLU 29 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2q78 n LEU 31 N 1.88 0.00 0.11 -4.62 4.77 -1.19 -4.92 117.00 113.03 2q78 n LEU 31 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2q78 n LEU 31 Cb 0.27 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.82 2q78 n LEU 31 CO 0.02 0.00 0.86 -0.90 -1.33 0.00 0.00 177.39 176.05 2q78 n ASP 32 N 0.81 0.66 0.25 -1.43 5.75 -1.26 -1.45 116.55 119.87 2q78 n ASP 32 Ca 0.00 0.62 0.15 0.00 -0.01 0.00 0.00 54.79 55.55 2q78 n ASP 32 Cb 0.00 -0.77 0.45 0.00 -1.03 0.00 0.00 41.12 39.77 2q78 n ASP 32 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2q78 h LEU 33 N 0.00 0.00 -3.45 -2.12 3.38 -1.98 -3.48 115.31 107.67 2q78 h LEU 33 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2q78 h LEU 33 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2q78 h LEU 33 CO 0.00 0.02 -0.25 0.00 0.09 0.00 0.00 178.44 178.29 2q78 n HIS 34 N -3.11 -0.35 -2.10 1.13 1.44 -0.53 -4.67 115.22 107.04 2q78 n HIS 34 Ca 0.02 0.03 -0.37 0.00 -2.01 0.00 0.00 57.72 55.39 2q78 n HIS 34 Cb 0.41 -0.68 0.01 0.00 0.12 0.00 0.00 29.99 29.86 2q78 n HIS 34 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2q78 s LEU 35 N -5.29 3.85 0.28 2.39 1.43 -1.26 -0.17 118.68 119.92 2q78 s LEU 35 Ca 0.11 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 2q78 s LEU 35 Cb -0.06 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 2q78 s LEU 35 CO 0.24 -1.27 1.10 0.54 0.23 0.00 0.00 176.35 177.19 2q78 s VAL 36 N -1.53 3.48 0.36 -1.59 0.11 0.67 -0.36 120.40 121.54 2q78 s VAL 36 Ca 0.70 1.48 -0.26 0.00 -2.93 0.00 0.00 61.98 60.97 2q78 s VAL 36 Cb -0.31 -3.94 -0.09 0.00 -1.53 0.00 0.00 36.38 30.51 2q78 s VAL 36 CO 0.36 0.35 1.07 0.00 -3.33 0.00 0.00 175.10 173.55 2q78 s ALA 37 N -1.18 3.19 0.14 1.54 0.00 -1.26 -4.62 121.76 119.57 2q78 s ALA 37 Ca 0.45 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 2q78 s ALA 37 Cb -0.32 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2q78 s ALA 37 CO 0.41 -0.21 1.67 1.15 0.00 0.00 0.00 175.76 178.77 2q78 h THR 38 N 2.48 0.59 -0.84 0.00 2.02 -1.97 -1.81 112.91 113.38 2q78 h THR 38 Ca -0.48 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.79 2q78 h THR 38 Cb 1.22 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 2q78 h THR 38 CO 0.64 0.00 0.55 0.77 0.37 0.00 0.00 175.52 177.84 2q78 h SER 39 N -0.13 0.75 -0.52 4.18 4.64 -1.99 -0.78 113.55 119.69 2q78 h SER 39 Ca 0.12 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2q78 h SER 39 Cb 0.31 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2q78 h SER 39 CO -0.30 0.45 0.05 0.00 -0.87 0.00 0.00 176.83 176.17 2q78 h ALA 40 N 1.57 0.70 -0.51 5.18 0.00 -1.77 -0.13 119.26 124.30 2q78 h ALA 40 Ca 0.38 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2q78 h ALA 40 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2q78 h ALA 40 CO -0.15 0.47 0.06 -0.07 0.00 0.00 0.00 179.25 179.56 2q78 h LEU 41 N 0.77 0.77 -0.57 0.00 3.38 -0.65 -1.22 115.31 117.79 2q78 h LEU 41 Ca 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2q78 h LEU 41 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2q78 h LEU 41 CO 0.02 0.80 0.24 0.40 0.09 0.00 0.00 178.44 179.98 2q78 h ILE 42 N 0.77 1.22 -0.37 1.22 2.04 -0.90 -1.55 117.51 119.93 2q78 h ILE 42 Ca 0.16 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.40 2q78 h ILE 42 Cb 0.38 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2q78 h ILE 42 CO 0.01 0.26 0.10 1.23 0.00 0.00 0.00 178.15 179.75 2q78 h GLY 43 N 0.78 0.46 0.72 5.37 0.00 -0.47 -0.55 103.07 109.38 2q78 h GLY 43 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.51 2q78 h GLY 43 CO -0.02 -0.00 0.11 -2.08 0.00 0.00 0.00 176.54 174.55 2q78 h VAL 44 N 0.24 0.91 -0.23 4.60 2.07 -0.99 -0.98 116.25 121.87 2q78 h VAL 44 Ca 0.18 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2q78 h VAL 44 Cb 0.18 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2q78 h VAL 44 CO -0.21 0.04 0.02 0.58 0.02 0.00 0.00 177.57 178.03 2q78 h VAL 45 N 0.24 1.24 -0.42 2.57 2.07 -0.88 -2.84 116.25 118.23 2q78 h VAL 45 Ca 0.14 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.94 2q78 h VAL 45 Cb 0.12 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 2q78 h VAL 45 CO -0.15 0.25 -0.08 0.45 0.02 0.00 0.00 177.57 178.06 2q78 h HIS 46 N 0.18 -0.18 -0.21 1.57 3.86 -0.93 -2.57 115.15 116.86 2q78 h HIS 46 Ca 0.07 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2q78 h HIS 46 Cb 0.36 0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2q78 h HIS 46 CO 0.03 -0.16 0.13 0.00 0.86 0.00 0.00 177.93 178.78 2q78 h ARG 47 N 0.02 0.28 -0.47 2.45 3.08 -0.98 0.64 114.38 119.40 2q78 h ARG 47 Ca 0.20 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 2q78 h ARG 47 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2q78 h ARG 47 CO -0.41 0.20 -0.12 0.28 -1.07 0.00 0.00 179.97 178.84 2q78 h VAL 48 N 0.29 1.26 -0.57 2.04 2.07 -1.24 -2.15 116.25 117.95 2q78 h VAL 48 Ca 0.08 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2q78 h VAL 48 Cb -0.01 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2q78 h VAL 48 CO -0.02 0.42 0.28 0.77 0.02 0.00 0.00 177.57 179.05 2q78 h SER 49 N 0.78 0.71 -0.44 0.57 4.64 -0.60 -0.71 113.55 118.50 2q78 h SER 49 Ca 0.13 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 2q78 h SER 49 Cb 0.63 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2q78 h SER 49 CO 0.04 0.59 -0.03 0.22 -0.87 0.00 0.00 176.83 176.79 2q78 h TYR 50 N 0.79 0.88 -0.79 4.77 5.03 -1.12 -0.82 116.97 125.72 2q78 h TYR 50 Ca 0.20 -0.16 0.04 0.00 2.58 0.00 0.00 58.73 61.38 2q78 h TYR 50 Cb 0.07 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.07 2q78 h TYR 50 CO 0.01 0.87 0.50 1.49 -1.32 0.00 0.00 178.16 179.70 2q78 h GLU 51 N 0.64 0.93 -0.02 1.82 4.57 -0.80 -0.92 114.58 120.80 2q78 h GLU 51 Ca 0.12 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2q78 h GLU 51 Cb 0.54 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2q78 h GLU 51 CO 0.03 0.62 0.01 1.25 -1.18 0.00 0.00 179.01 179.74 2q78 h LEU 52 N 0.96 0.02 -0.86 1.64 6.46 -0.89 -3.23 115.31 119.41 2q78 h LEU 52 Ca 0.32 -0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 57.91 2q78 h LEU 52 Cb 0.04 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2q78 h LEU 52 CO -0.12 0.08 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.45 2q78 h LEU 53 N -0.04 0.55 -1.86 2.25 3.38 -0.67 -3.26 115.31 115.66 2q78 h LEU 53 Ca 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2q78 h LEU 53 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2q78 h LEU 53 CO -0.00 0.80 -0.02 0.77 0.09 0.00 0.00 178.44 180.08 2q78 h SER 54 N 0.47 0.05 0.40 -0.43 4.64 -1.20 0.42 113.55 117.91 2q78 h SER 54 Ca 0.07 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2q78 h SER 54 Cb 0.71 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2q78 h SER 54 CO 0.05 0.09 -0.04 0.03 -0.87 0.00 0.00 176.83 176.09 2q78 h ARG 55 N 0.06 0.00 0.00 4.77 3.08 -1.68 -3.33 114.38 117.28 2q78 h ARG 55 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2q78 h ARG 55 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2q78 h ARG 55 CO 0.00 0.04 -0.28 0.66 -1.07 0.00 0.00 179.97 179.33 2q78 n TYR 56 N -3.31 0.00 -2.29 3.04 4.01 0.13 -5.03 117.16 113.71 2q78 n TYR 56 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2q78 n TYR 56 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2q78 n TYR 56 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2q78 s LEU 57 N -2.20 4.45 0.82 7.72 1.43 -0.33 -5.00 118.68 125.57 2q78 s LEU 57 Ca 0.00 2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 55.34 2q78 s LEU 57 Cb 0.00 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.69 2q78 s LEU 57 CO 0.00 -0.42 1.18 -2.65 0.23 0.00 0.00 176.35 174.69 2q78 n PRO 58 N 2.07 0.11 0.26 1.29 -0.02 -1.26 -4.88 135.00 132.57 2q78 n PRO 58 Ca 0.03 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.72 2q78 n PRO 58 Cb 0.44 -2.42 0.68 0.00 -0.02 0.00 0.00 33.50 32.17 2q78 n PRO 58 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2q78 h ASN 59 N -1.01 0.00 -0.04 2.55 2.35 -1.99 -1.84 115.58 115.60 2q78 h ASN 59 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2q78 h ASN 59 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2q78 h ASN 59 CO 0.45 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.73 2q78 n ASP 60 N -4.37 1.93 -4.57 5.81 8.00 -1.26 -4.92 116.55 117.16 2q78 n ASP 60 Ca -0.03 -1.65 -0.34 0.00 0.71 0.00 0.00 54.79 53.48 2q78 n ASP 60 Cb 0.11 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 2q78 n ASP 60 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2q78 s TYR 61 N -1.97 2.92 0.22 1.24 1.51 -0.69 -0.86 117.35 119.71 2q78 s TYR 61 Ca 0.35 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.43 2q78 s TYR 61 Cb 0.21 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2q78 s TYR 61 CO 0.32 0.32 0.10 -2.37 -1.11 0.00 0.00 175.55 172.81 2q78 n THR 62 N 2.22 0.00 -3.69 -0.71 5.66 0.05 -4.77 114.28 113.03 2q78 n THR 62 Ca -0.18 -0.92 -0.13 0.00 -3.05 0.00 0.00 64.05 59.77 2q78 n THR 62 Cb 0.53 -0.10 -0.13 0.00 -1.55 0.00 0.00 70.33 69.08 2q78 n THR 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2q78 s ALA 63 N -2.34 -0.62 0.02 1.79 0.00 -1.26 -1.34 121.76 118.01 2q78 s ALA 63 Ca 0.07 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.12 2q78 s ALA 63 Cb -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2q78 s ALA 63 CO 0.05 -0.44 -0.17 0.14 0.00 0.00 0.00 175.76 175.35 2q78 s VAL 64 N 1.88 1.32 0.08 0.00 -7.23 -0.56 -4.92 120.40 110.96 2q78 s VAL 64 Ca -0.04 -0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 2q78 s VAL 64 Cb -0.11 -1.14 -0.07 0.00 0.56 0.00 0.00 36.38 35.63 2q78 s VAL 64 CO -0.09 0.22 1.28 -0.69 -0.31 0.00 0.00 175.10 175.50 2q78 s VAL 65 N -0.62 3.74 -0.05 1.32 1.01 -1.26 -0.12 120.40 124.43 2q78 s VAL 65 Ca 0.05 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.30 2q78 s VAL 65 Cb -0.07 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2q78 s VAL 65 CO 0.01 0.10 0.06 1.33 0.00 0.00 0.00 175.10 176.59 2q78 n VAL 66 N 3.94 0.00 -3.68 2.92 0.24 -0.18 -4.89 118.33 116.67 2q78 n VAL 66 Ca 0.10 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 2q78 n VAL 66 Cb 0.45 0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 33.50 2q78 n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2q78 s GLU 67 N -1.59 0.68 -0.10 7.34 2.12 -1.20 -5.00 118.70 120.95 2q78 s GLU 67 Ca 0.00 0.49 -0.19 0.00 0.36 0.00 0.00 54.97 55.63 2q78 s GLU 67 Cb 0.01 0.32 0.04 0.00 0.26 0.00 0.00 34.13 34.77 2q78 s GLU 67 CO 0.07 -0.13 0.47 -0.08 -0.54 0.00 0.00 175.26 175.05 2q78 s THR 68 N -0.22 0.02 -0.02 -1.70 -1.32 -1.26 -0.41 115.64 110.72 2q78 s THR 68 Ca -0.04 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.29 2q78 s THR 68 Cb -0.03 -0.72 0.01 0.00 -1.51 0.00 0.00 72.50 70.25 2q78 s THR 68 CO 0.03 -0.08 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.11 2q78 s LEU 69 N -0.55 1.52 -0.01 9.08 2.96 0.65 -4.99 118.68 127.34 2q78 s LEU 69 Ca -0.07 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2q78 s LEU 69 Cb -0.03 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.39 2q78 s LEU 69 CO 0.04 -0.03 0.16 0.00 -1.32 0.00 0.00 176.35 175.19 2q78 s ALA 70 N 0.57 -0.38 -0.16 5.97 0.00 -1.26 -0.89 121.76 125.60 2q78 s ALA 70 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2q78 s ALA 70 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2q78 s ALA 70 CO -0.01 -0.19 -0.16 1.03 0.00 0.00 0.00 175.76 176.44 2q78 s ARG 71 N -1.06 3.18 -0.50 0.00 0.52 -0.10 -5.01 118.95 115.98 2q78 s ARG 71 Ca -0.11 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.22 2q78 s ARG 71 Cb -0.06 -2.64 0.12 0.00 0.52 0.00 0.00 34.95 32.90 2q78 s ARG 71 CO 0.01 -0.04 0.41 -1.58 0.02 0.00 0.00 175.30 174.12 2q78 s HIS 72 N 0.96 3.37 -0.47 -0.53 5.65 -1.26 -1.46 115.29 121.54 2q78 s HIS 72 Ca -0.03 -1.68 0.21 0.00 0.25 0.00 0.00 55.06 53.81 2q78 s HIS 72 Cb -0.15 -3.61 -0.28 0.00 -1.18 0.00 0.00 32.58 27.37 2q78 s HIS 72 CO -0.03 -1.00 0.65 1.33 -0.65 0.00 0.00 174.74 175.04 2q78 n VAL 73 N 5.01 0.00 -3.81 0.89 0.24 -0.08 -4.92 118.33 115.65 2q78 n VAL 73 Ca -0.10 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 2q78 n VAL 73 Cb 0.40 0.48 -0.13 0.00 -1.47 0.00 0.00 33.84 33.13 2q78 n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2q78 s LYS 74 N -3.21 0.19 0.21 7.34 2.20 -1.08 -5.03 119.74 120.36 2q78 s LYS 74 Ca -0.00 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 2q78 s LYS 74 Cb 0.14 0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 36.45 2q78 s LYS 74 CO 0.86 -0.04 1.01 0.00 -0.36 0.00 0.00 175.35 176.82 2q78 s ALA 75 N 0.20 3.34 -0.01 3.13 0.00 -1.26 -4.77 121.76 122.38 2q78 s ALA 75 Ca -0.01 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.68 2q78 s ALA 75 Cb -0.02 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2q78 s ALA 75 CO -0.00 0.01 -0.08 0.54 0.00 0.00 0.00 175.76 176.23 2q78 s VAL 76 N -0.76 0.61 0.55 0.00 0.11 -1.26 -5.04 120.40 114.61 2q78 s VAL 76 Ca 0.44 -0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 59.03 2q78 s VAL 76 Cb -0.27 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.00 2q78 s VAL 76 CO 0.34 0.18 1.01 -2.84 -3.33 0.00 0.00 175.10 170.45 2q78 s PRO 77 N -0.10 3.76 1.03 1.54 0.02 -1.26 -0.24 135.00 139.75 2q78 s PRO 77 Ca 0.02 0.93 -0.14 0.00 0.02 0.00 0.00 61.00 61.83 2q78 s PRO 77 Cb -0.04 -2.11 0.20 0.00 0.02 0.00 0.00 34.50 32.58 2q78 s PRO 77 CO -0.00 -0.43 1.10 0.95 -0.33 0.00 0.00 177.00 178.29 2q78 s THR 78 N -2.76 1.94 0.00 0.99 -4.23 0.76 -4.01 115.64 108.32 2q78 s THR 78 Ca 0.58 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 2q78 s THR 78 Cb -0.11 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2q78 s THR 78 CO 0.38 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2q78 n GLY 79 N -1.24 0.63 3.52 3.99 0.00 0.14 -5.02 105.19 107.22 2q78 n GLY 79 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2q78 n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q78 s THR 80 N -2.10 2.95 -0.12 2.61 2.01 -1.22 -4.92 115.64 114.85 2q78 s THR 80 Ca 0.00 -1.71 -0.06 0.00 0.31 0.00 0.00 61.69 60.23 2q78 s THR 80 Cb 0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2q78 s THR 80 CO 0.00 -0.07 0.11 -0.60 -0.69 0.00 0.00 174.62 173.36 2q78 s ARG 81 N -2.66 3.41 0.16 4.92 3.52 -1.26 0.34 118.95 127.37 2q78 s ARG 81 Ca 0.23 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.69 2q78 s ARG 81 Cb -0.09 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2q78 s ARG 81 CO 0.13 0.71 -0.16 0.14 -0.81 0.00 0.00 175.30 175.31 2q78 s VAL 82 N -0.85 1.63 -0.16 7.11 -7.23 0.31 -4.78 120.40 116.43 2q78 s VAL 82 Ca 0.14 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 2q78 s VAL 82 Cb -0.12 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2q78 s VAL 82 CO 0.03 -0.43 0.58 0.00 -0.31 0.00 0.00 175.10 174.97 2q78 s ALA 83 N -2.35 3.50 -0.19 1.32 0.00 -1.26 -0.50 121.76 122.28 2q78 s ALA 83 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2q78 s ALA 83 Cb -0.04 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2q78 s ALA 83 CO 0.05 -0.33 -0.15 0.08 0.00 0.00 0.00 175.76 175.42 2q78 s VAL 84 N 1.37 1.87 -0.07 0.00 1.01 0.57 -4.30 120.40 120.85 2q78 s VAL 84 Ca 0.28 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2q78 s VAL 84 Cb -0.16 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2q78 s VAL 84 CO 0.11 0.33 -0.13 -0.83 0.00 0.00 0.00 175.10 174.59 2q78 s GLY 85 N 1.33 1.56 0.05 4.51 0.00 -0.69 -0.66 107.32 113.41 2q78 s GLY 85 Ca 0.01 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.84 2q78 s GLY 85 CO -0.10 -0.66 -0.16 -1.34 0.00 0.00 0.00 173.10 170.85 2q78 s VAL 86 N -0.56 1.25 -0.00 1.40 -7.23 0.60 -1.17 120.40 114.68 2q78 s VAL 86 Ca 0.08 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2q78 s VAL 86 Cb -0.12 -1.13 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 2q78 s VAL 86 CO 0.01 0.00 0.04 0.00 -0.31 0.00 0.00 175.10 174.84 2q78 s ARG 87 N -1.29 0.20 -0.30 4.82 1.70 -0.05 -1.19 118.95 122.84 2q78 s ARG 87 Ca 0.02 -0.21 -0.28 0.00 -0.47 0.00 0.00 55.73 54.80 2q78 s ARG 87 Cb -0.08 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.39 2q78 s ARG 87 CO 0.02 -0.04 1.01 0.08 -1.08 0.00 0.00 175.30 175.29 2q78 s VAL 88 N -0.64 4.60 -0.70 4.99 1.01 0.07 -1.58 120.40 128.16 2q78 s VAL 88 Ca -0.07 1.67 0.20 0.00 0.00 0.00 0.00 61.98 63.78 2q78 s VAL 88 Cb -0.04 -4.34 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 2q78 s VAL 88 CO -0.00 -0.38 0.74 1.33 0.00 0.00 0.00 175.10 176.79 2q78 n VAL 89 N 5.70 0.00 -3.60 2.92 0.24 0.11 -2.18 118.33 121.52 2q78 n VAL 89 Ca 0.10 -0.14 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 2q78 n VAL 89 Cb 0.47 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 2q78 n VAL 89 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2q78 s GLY 90 N -3.22 -0.19 -0.06 7.63 0.00 -1.09 -4.96 107.32 105.43 2q78 s GLY 90 Ca 0.04 1.99 0.00 0.00 0.00 0.00 0.00 44.72 46.75 2q78 s GLY 90 CO 0.81 0.77 -0.05 0.14 0.00 0.00 0.00 173.10 174.78 2q78 s VAL 91 N -1.82 0.66 -0.20 1.40 1.01 -1.26 -0.16 120.40 120.02 2q78 s VAL 91 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2q78 s VAL 91 Cb -0.01 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.74 2q78 s VAL 91 CO -0.04 0.27 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 2q78 s VAL 92 N 1.26 0.68 0.00 2.92 1.01 0.16 -4.94 120.40 121.49 2q78 s VAL 92 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2q78 s VAL 92 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2q78 s VAL 92 CO -0.02 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.49 2q78 n GLY 93 N 4.99 3.50 1.38 4.51 0.00 -1.26 -0.63 105.19 117.69 2q78 n GLY 93 Ca -0.09 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2q78 n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2q78 n ASN 94 N 4.90 4.00 -4.53 1.61 6.94 -1.26 -4.49 115.26 122.43 2q78 n ASN 94 Ca 0.00 -2.56 -0.37 0.00 -0.02 0.00 0.00 54.58 51.63 2q78 n ASN 94 Cb 0.00 -0.60 -0.12 0.00 -2.36 0.00 0.00 39.78 36.70 2q78 n ASN 94 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2q78 s ARG 95 N -2.10 3.82 -0.21 -3.83 1.81 0.20 -0.68 118.95 117.96 2q78 s ARG 95 Ca 0.36 -0.40 -0.03 0.00 -1.72 0.00 0.00 55.73 53.94 2q78 s ARG 95 Cb 0.27 -3.44 -0.01 0.00 -0.45 0.00 0.00 34.95 31.32 2q78 s ARG 95 CO 0.11 -0.12 -0.06 0.08 -0.68 0.00 0.00 175.30 174.63 2q78 s VAL 96 N 1.49 3.26 -0.18 3.52 1.01 0.60 -0.66 120.40 129.43 2q78 s VAL 96 Ca 0.06 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2q78 s VAL 96 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2q78 s VAL 96 CO 0.06 0.44 0.10 -0.75 0.00 0.00 0.00 175.10 174.95 2q78 s LYS 97 N 1.33 3.99 0.10 2.72 2.20 0.77 -0.94 119.74 129.92 2q78 s LYS 97 Ca 0.04 -0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.48 2q78 s LYS 97 Cb -0.14 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2q78 s LYS 97 CO -0.03 0.36 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.04 2q78 s PHE 98 N 0.17 2.44 -0.05 4.03 0.40 0.57 -0.71 117.98 124.81 2q78 s PHE 98 Ca 0.07 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2q78 s PHE 98 Cb -0.12 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 2q78 s PHE 98 CO -0.00 0.33 -0.02 1.03 0.70 0.00 0.00 175.22 177.25 2q78 s ARG 99 N -1.93 2.85 0.04 0.44 0.52 -0.61 -1.38 118.95 118.87 2q78 s ARG 99 Ca 0.15 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 2q78 s ARG 99 Cb -0.10 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 2q78 s ARG 99 CO 0.07 0.67 -0.11 0.20 0.02 0.00 0.00 175.30 176.15 2q78 s GLY 100 N -1.07 0.66 -0.00 -3.53 0.00 -0.07 -0.87 107.32 102.43 2q78 s GLY 100 Ca 0.15 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2q78 s GLY 100 CO 0.04 -0.75 -0.02 -1.50 0.00 0.00 0.00 173.10 170.87 2q78 s ILE 101 N -0.93 0.18 0.43 0.90 1.10 -0.32 -1.07 121.20 121.49 2q78 s ILE 101 Ca -0.02 -0.08 0.07 0.00 -0.51 0.00 0.00 60.65 60.11 2q78 s ILE 101 Cb -0.08 -0.17 -0.05 0.00 0.15 0.00 0.00 42.46 42.31 2q78 s ILE 101 CO 0.01 0.06 0.16 -0.69 -2.11 0.00 0.00 174.94 172.37 2q78 s VAL 102 N 0.05 2.17 -0.30 4.00 1.01 0.24 -1.71 120.40 125.86 2q78 s VAL 102 Ca -0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 61.98 60.19 2q78 s VAL 102 Cb -0.02 -2.91 0.19 0.00 0.00 0.00 0.00 36.38 33.64 2q78 s VAL 102 CO -0.00 0.00 0.80 -0.55 0.00 0.00 0.00 175.10 175.34 2q78 s SER 104 N -3.90 -1.02 1.64 3.32 0.15 0.13 -0.28 113.70 113.74 2q78 s SER 104 Ca 0.38 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2q78 s SER 104 Cb 0.04 1.78 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 2q78 s SER 104 CO 0.21 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2q78 n GLY 105 N 5.40 2.88 0.68 9.45 0.00 -1.26 -1.08 105.19 121.26 2q78 n GLY 105 Ca -0.01 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.39 2q78 n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q78 n ASP 106 N 8.95 2.62 -4.74 1.61 8.00 -1.26 -4.95 116.55 126.78 2q78 n ASP 106 Ca 0.00 -1.77 -0.38 0.00 0.71 0.00 0.00 54.79 53.35 2q78 n ASP 106 Cb 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 2q78 n ASP 106 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2q78 s GLU 107 N -1.11 4.32 -0.08 -1.24 0.41 -0.24 -5.06 118.70 115.70 2q78 s GLU 107 Ca 0.22 0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 55.07 2q78 s GLU 107 Cb 0.13 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 29.07 2q78 s GLU 107 CO 0.19 0.24 1.10 0.21 -0.49 0.00 0.00 175.26 176.51 2q78 s LYS 108 N 0.31 4.39 -0.26 1.61 2.20 -1.26 0.21 119.74 126.93 2q78 s LYS 108 Ca 0.29 1.53 -0.14 0.00 -0.36 0.00 0.00 55.97 57.29 2q78 s LYS 108 Cb -0.16 -3.55 -0.15 0.00 -1.51 0.00 0.00 37.83 32.46 2q78 s LYS 108 CO 0.13 -0.38 -0.20 -0.89 -0.36 0.00 0.00 175.35 173.66 2q78 n ILE 109 N 4.58 1.54 -3.81 5.43 2.08 0.61 -4.24 119.36 125.55 2q78 n ILE 109 Ca 0.10 -0.34 -0.12 0.00 0.56 0.00 0.00 62.75 62.94 2q78 n ILE 109 Cb 0.47 -1.86 -0.11 0.00 -0.75 0.00 0.00 39.64 37.39 2q78 n ILE 109 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2q78 s LEU 110 N -7.46 1.24 0.08 1.39 0.20 -1.13 -0.91 118.68 112.10 2q78 s LEU 110 Ca -0.36 0.29 0.08 0.00 0.69 0.00 0.00 54.13 54.83 2q78 s LEU 110 Cb 0.12 0.75 -0.03 0.00 -0.43 0.00 0.00 46.19 46.60 2q78 s LEU 110 CO 0.53 -0.15 -0.22 -1.83 -0.29 0.00 0.00 176.35 174.39 2q78 s GLU 111 N -0.25 1.27 0.05 1.98 -1.05 -0.54 -0.60 118.70 119.57 2q78 s GLU 111 Ca -0.03 -1.11 -0.05 0.00 -0.15 0.00 0.00 54.97 53.62 2q78 s GLU 111 Cb -0.03 -1.51 -0.01 0.00 -0.44 0.00 0.00 34.13 32.13 2q78 s GLU 111 CO 0.01 0.37 0.09 0.00 0.95 0.00 0.00 175.26 176.67 2q78 s ALA 112 N -1.02 0.01 -0.02 -0.84 0.00 -0.23 -0.93 121.76 118.73 2q78 s ALA 112 Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2q78 s ALA 112 Cb -0.10 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.34 2q78 s ALA 112 CO 0.04 -0.36 0.01 -2.00 0.00 0.00 0.00 175.76 173.44 2q78 s GLU 113 N -3.04 0.19 0.21 0.00 2.12 -0.07 -0.89 118.70 117.22 2q78 s GLU 113 Ca -0.01 0.08 -0.17 0.00 0.36 0.00 0.00 54.97 55.23 2q78 s GLU 113 Cb 0.01 -0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.06 2q78 s GLU 113 CO -0.07 -0.12 0.53 -0.59 -0.54 0.00 0.00 175.26 174.48 2q78 s PHE 114 N 0.87 -0.06 -0.09 5.30 -0.71 -0.48 -0.25 117.98 122.55 2q78 s PHE 114 Ca -0.08 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 55.52 2q78 s PHE 114 Cb -0.12 0.39 0.02 0.00 -1.21 0.00 0.00 43.02 42.11 2q78 s PHE 114 CO -0.02 -0.96 -0.08 0.08 -1.34 0.00 0.00 175.22 172.90 2q78 s VAL 115 N -3.90 0.99 -0.14 -2.49 1.01 0.45 -0.32 120.40 116.01 2q78 s VAL 115 Ca 0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2q78 s VAL 115 Cb -0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2q78 s VAL 115 CO -0.00 0.35 0.10 -0.13 0.00 0.00 0.00 175.10 175.42 2q78 s ARG 116 N 1.32 3.60 -0.16 2.72 0.52 -0.11 -1.01 118.95 125.82 2q78 s ARG 116 Ca -0.03 -0.22 -0.19 0.00 -0.52 0.00 0.00 55.73 54.77 2q78 s ARG 116 Cb -0.14 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2q78 s ARG 116 CO -0.04 0.60 0.54 0.00 0.02 0.00 0.00 175.30 176.42 2q78 s ALA 117 N -0.52 3.50 -0.33 2.13 0.00 0.83 -0.29 121.76 127.08 2q78 s ALA 117 Ca 0.12 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.65 2q78 s ALA 117 Cb -0.12 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 2q78 s ALA 117 CO 0.02 -0.26 0.55 0.42 0.00 0.00 0.00 175.76 176.48 2q78 s ILE 118 N 1.23 5.00 -0.01 0.00 1.01 0.14 -1.49 121.20 127.07 2q78 s ILE 118 Ca 0.27 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.49 2q78 s ILE 118 Cb -0.16 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2q78 s ILE 118 CO 0.11 -0.16 -0.05 -0.69 0.00 0.00 0.00 174.94 174.15 2q78 s VAL 119 N 2.45 0.43 0.35 2.92 1.01 -0.45 -4.86 120.40 122.26 2q78 s VAL 119 Ca 0.21 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 2q78 s VAL 119 Cb -0.15 -0.38 -0.12 0.00 0.00 0.00 0.00 36.38 35.73 2q78 s VAL 119 CO 0.13 0.13 1.45 -2.65 0.00 0.00 0.00 175.10 174.16 2q78 n PRO 120 N 3.12 2.52 -0.35 2.72 -0.02 -1.26 -0.77 135.00 140.95 2q78 n PRO 120 Ca -0.15 0.88 0.02 0.00 -2.02 0.00 0.00 63.50 62.24 2q78 n PRO 120 Cb 0.57 -2.58 0.17 0.00 -0.02 0.00 0.00 33.50 31.64 2q78 n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q78 h ARG 121 N 3.12 1.08 -0.66 -0.52 3.08 -1.33 -2.13 114.38 117.02 2q78 h ARG 121 Ca -0.49 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 59.59 2q78 h ARG 121 Cb 1.25 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 2q78 h ARG 121 CO 0.66 0.71 0.29 1.05 -1.07 0.00 0.00 179.97 181.61 2q78 h GLU 122 N 1.11 0.49 -0.19 0.04 4.11 -1.90 0.22 114.58 118.45 2q78 h GLU 122 Ca 0.42 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.76 2q78 h GLU 122 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2q78 h GLU 122 CO -0.18 0.33 -0.15 -0.22 0.07 0.00 0.00 179.01 178.86 2q78 h LYS 123 N 0.51 0.43 -0.64 1.06 1.63 -1.77 -1.74 116.57 116.04 2q78 h LYS 123 Ca 0.33 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2q78 h LYS 123 Cb 0.37 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2q78 h LYS 123 CO -0.29 0.77 0.34 1.25 -3.45 0.00 0.00 179.45 178.07 2q78 h LEU 124 N 0.11 0.82 -0.37 5.20 5.85 -1.17 -0.94 115.31 124.81 2q78 h LEU 124 Ca 0.04 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2q78 h LEU 124 Cb 0.67 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2q78 h LEU 124 CO 0.04 0.69 0.22 -0.09 -0.34 0.00 0.00 178.44 178.97 2q78 h ARG 125 N 0.88 0.44 -0.40 1.25 2.43 -0.91 0.29 114.38 118.37 2q78 h ARG 125 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2q78 h ARG 125 Cb 0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2q78 h ARG 125 CO -0.03 0.29 0.27 0.00 -1.51 0.00 0.00 179.97 178.99 2q78 h ARG 126 N 0.46 0.53 -0.41 0.20 3.08 -1.04 -1.54 114.38 115.66 2q78 h ARG 126 Ca 0.14 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2q78 h ARG 126 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2q78 h ARG 126 CO -0.06 0.35 0.17 -0.07 -1.07 0.00 0.00 179.97 179.29 2q78 h LEU 127 N 0.54 0.56 -1.47 3.04 3.38 -0.93 -2.29 115.31 118.14 2q78 h LEU 127 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2q78 h LEU 127 Cb -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2q78 h LEU 127 CO -0.03 0.56 0.21 0.00 0.09 0.00 0.00 178.44 179.27 2q78 h ALA 128 N 1.02 1.60 -0.00 1.53 0.00 -0.75 -2.93 119.26 119.72 2q78 h ALA 128 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2q78 h ALA 128 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2q78 h ALA 128 CO -0.01 0.33 -0.38 1.28 0.00 0.00 0.00 179.25 180.47 2q78 n LEU 129 N -4.42 0.69 -0.07 0.00 4.77 -0.59 -5.09 117.00 112.29 2q78 n LEU 129 Ca 0.03 -0.09 0.16 0.00 -0.03 0.00 0.00 56.01 56.08 2q78 n LEU 129 Cb 0.11 -0.20 0.89 0.00 -2.33 0.00 0.00 43.42 41.89 2q78 n LEU 129 CO 0.36 0.15 1.08 1.21 -1.33 0.00 0.00 177.39 178.86