#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q78 s HIS -1 N 0.00 3.23 -0.18 -1.40 4.02 -1.26 -5.16 115.29 114.55 2q78 s HIS -1 Ca 0.00 -0.77 -0.18 0.00 1.02 0.00 0.00 55.06 55.13 2q78 s HIS -1 Cb 0.00 -2.46 -0.04 0.00 -1.02 0.00 0.00 32.58 29.07 2q78 s HIS -1 CO 0.00 -0.58 0.48 -1.58 1.02 0.00 0.00 174.74 174.08 2q78 s HIS 0 N 1.60 3.41 0.00 1.40 2.46 -1.26 -5.00 115.29 117.90 2q78 s HIS 0 Ca 0.03 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.33 2q78 s HIS 0 Cb -0.19 -2.61 0.00 0.00 -0.13 0.00 0.00 32.58 29.66 2q78 s HIS 0 CO 0.08 -0.01 0.00 -3.47 -2.47 0.00 0.00 174.74 168.87 2q78 n ASP 3 N 4.41 0.00 -0.36 9.88 -0.08 -1.26 -5.28 116.55 123.86 2q78 n ASP 3 Ca -0.06 0.04 0.08 0.00 -1.51 0.00 0.00 54.79 53.34 2q78 n ASP 3 Cb 0.51 -0.35 0.16 0.00 2.34 0.00 0.00 41.12 43.78 2q78 n ASP 3 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2q78 n PHE 4 N -0.17 0.00 0.27 -0.67 3.72 -1.26 -4.82 117.46 114.53 2q78 n PHE 4 Ca 0.00 -1.14 0.16 0.00 -0.05 0.00 0.00 57.45 56.43 2q78 n PHE 4 Cb 0.00 -0.19 0.90 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.44 0.00 0.12 4.37 3.32 -1.94 -0.30 116.42 122.44 2q78 h ASP 5 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2q78 h ASP 5 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2q78 h ASP 5 CO 0.00 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 179.74 2q78 n PHE 6 N -3.76 0.47 0.51 4.55 1.16 -1.26 -1.06 117.46 118.07 2q78 n PHE 6 Ca -0.01 0.23 0.12 0.00 -1.87 0.00 0.00 57.45 55.92 2q78 n PHE 6 Cb 0.18 -0.87 0.22 0.00 -1.61 0.00 0.00 39.48 37.39 2q78 n PHE 6 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2q78 h LEU 7 N 0.00 0.00 -9.73 5.98 3.38 -1.46 -3.47 115.31 110.02 2q78 h LEU 7 Ca 0.00 -0.11 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 2q78 h LEU 7 Cb 0.06 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.85 2q78 h LEU 7 CO 0.00 0.06 0.69 -1.61 0.09 0.00 0.00 178.44 177.67 2q78 s GLU 8 N -3.17 4.34 0.00 1.13 2.02 -0.22 -2.68 118.70 120.11 2q78 s GLU 8 Ca 0.07 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.22 2q78 s GLU 8 Cb 0.12 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2q78 s GLU 8 CO 0.69 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2q78 n GLY 9 N 2.14 1.53 3.77 -1.39 0.00 -1.24 -5.04 105.19 104.96 2q78 n GLY 9 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.46 3.81 0.05 1.61 -0.14 -1.09 -4.80 119.74 118.71 2q78 s LYS 10 Ca 0.00 1.80 -0.05 0.00 -1.36 0.00 0.00 55.97 56.36 2q78 s LYS 10 Cb 0.00 -2.46 -0.01 0.00 -1.68 0.00 0.00 37.83 33.67 2q78 s LYS 10 CO 0.00 -0.52 0.09 -0.98 -0.76 0.00 0.00 175.35 173.18 2q78 s ARG 11 N -2.62 0.63 -0.12 1.68 1.70 -1.26 -0.68 118.95 118.27 2q78 s ARG 11 Ca 0.62 -0.85 -0.11 0.00 -0.47 0.00 0.00 55.73 54.93 2q78 s ARG 11 Cb -0.29 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.36 2q78 s ARG 11 CO 0.36 -0.16 0.32 -1.17 -1.08 0.00 0.00 175.30 173.57 2q78 s LEU 12 N -2.35 0.69 -0.05 -1.89 2.96 -0.45 -5.00 118.68 112.59 2q78 s LEU 12 Ca -0.02 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 2q78 s LEU 12 Cb 0.01 1.10 0.00 0.00 0.50 0.00 0.00 46.19 47.80 2q78 s LEU 12 CO -0.06 -0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.80 2q78 s THR 13 N 0.32 1.35 0.02 3.68 2.01 -1.26 -0.63 115.64 121.12 2q78 s THR 13 Ca -0.01 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2q78 s THR 13 Cb -0.03 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2q78 s THR 13 CO -0.01 0.39 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.62 2q78 s GLU 14 N 0.24 0.59 -0.03 4.92 2.02 0.11 -4.95 118.70 121.60 2q78 s GLU 14 Ca -0.08 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.20 2q78 s GLU 14 Cb -0.13 -0.51 -0.04 0.00 0.10 0.00 0.00 34.13 33.55 2q78 s GLU 14 CO 0.03 0.13 0.71 -0.51 0.02 0.00 0.00 175.26 175.63 2q78 s ASP 15 N -0.74 7.05 -0.04 -0.19 1.11 -1.26 -0.15 116.67 122.44 2q78 s ASP 15 Ca -0.01 1.26 0.05 0.00 0.18 0.00 0.00 52.55 54.02 2q78 s ASP 15 Cb -0.06 -2.42 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 2q78 s ASP 15 CO 0.00 -0.05 -0.19 -0.69 1.18 0.00 0.00 175.17 175.41 2q78 s VAL 16 N 0.44 1.61 -0.21 -1.27 1.01 0.58 -4.92 120.40 117.63 2q78 s VAL 16 Ca 0.37 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 2q78 s VAL 16 Cb -0.19 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2q78 s VAL 16 CO 0.19 0.46 0.93 0.00 0.00 0.00 0.00 175.10 176.68 2q78 s ALA 17 N -0.06 3.61 -0.60 5.51 0.00 -1.26 -0.98 121.76 127.98 2q78 s ALA 17 Ca -0.03 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 2q78 s ALA 17 Cb -0.12 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.65 2q78 s ALA 17 CO 0.02 -0.87 1.05 -0.51 0.00 0.00 0.00 175.76 175.45 2q78 s LEU 18 N 2.73 3.86 0.81 0.00 1.43 0.19 -5.00 118.68 122.69 2q78 s LEU 18 Ca 0.41 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 2q78 s LEU 18 Cb -0.16 -2.81 0.17 0.00 0.03 0.00 0.00 46.19 43.42 2q78 s LEU 18 CO 0.09 -1.41 1.11 1.51 0.23 0.00 0.00 176.35 177.88 2q78 s ASP 19 N 3.12 3.84 0.11 2.29 1.47 -1.26 0.40 116.67 126.64 2q78 s ASP 19 Ca 0.33 -0.36 0.24 0.00 1.18 0.00 0.00 52.55 53.94 2q78 s ASP 19 Cb -0.11 0.18 0.94 0.00 -0.34 0.00 0.00 42.92 43.58 2q78 s ASP 19 CO 0.19 -2.22 1.75 1.21 0.68 0.00 0.00 175.17 176.77 2q78 n GLU 20 N -3.13 0.11 -0.70 2.11 4.07 -1.26 -4.23 120.64 117.61 2q78 n GLU 20 Ca 0.17 0.19 -0.08 0.00 -0.06 0.00 0.00 57.16 57.38 2q78 n GLU 20 Cb 0.60 -1.66 -0.11 0.00 -0.06 0.00 0.00 31.44 30.21 2q78 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2q78 n THR 21 N -1.86 2.15 0.00 6.31 -2.24 -1.26 -4.96 114.28 112.42 2q78 n THR 21 Ca 0.05 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 2q78 n THR 21 Cb 0.31 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 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 2.53 0.00 -2.35 2.28 3.14 -1.26 -5.07 118.33 117.60 2q78 n VAL 23 Ca 0.29 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.24 2q78 n VAL 23 Cb 0.65 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.41 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 -1.61 2.56 -0.04 1.45 -0.00 -0.11 -4.53 118.94 116.67 2q78 s TRP 24 Ca 0.00 0.80 0.05 0.00 -0.00 0.00 0.00 56.10 56.95 2q78 s TRP 24 Cb 0.00 -3.89 0.08 0.00 -0.00 0.00 0.00 33.47 29.66 2q78 s TRP 24 CO 0.00 -2.01 0.95 0.27 -0.00 0.00 0.00 176.95 176.16 2q78 n ASN 25 N 7.70 1.50 -0.17 5.86 0.23 -1.26 -4.73 115.26 124.39 2q78 n ASN 25 Ca 0.16 -2.11 -0.07 0.00 -0.53 0.00 0.00 54.58 52.02 2q78 n ASN 25 Cb 0.46 -0.14 0.08 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.96 -5.30 -3.83 5.08 -2.02 -3.42 114.58 106.05 2q78 h GLU 26 Ca 0.00 -0.29 -0.63 0.00 -1.00 0.00 0.00 59.36 57.43 2q78 h GLU 26 Cb 0.83 -0.09 -0.20 0.00 0.50 0.00 0.00 28.75 29.78 2q78 h GLU 26 CO 0.00 0.95 -0.64 0.34 -1.00 0.00 0.00 179.01 178.66 2q78 s ASP 27 N -6.61 4.98 0.00 1.42 -1.08 -1.26 -5.02 116.67 109.10 2q78 s ASP 27 Ca -0.11 -0.08 -0.07 0.00 -0.52 0.00 0.00 52.55 51.78 2q78 s ASP 27 Cb 0.14 -1.82 -0.30 0.00 -1.46 0.00 0.00 42.92 39.49 2q78 s ASP 27 CO 0.84 0.17 0.86 0.40 0.52 0.00 0.00 175.17 177.96 2q78 h ILE 28 N 5.07 1.15 0.00 4.11 5.03 -1.96 -3.23 117.51 127.69 2q78 h ILE 28 Ca -0.32 -2.74 0.00 0.00 -0.12 0.00 0.00 64.86 61.67 2q78 h ILE 28 Cb 1.19 2.82 0.00 0.00 -3.03 0.00 0.00 36.82 37.79 2q78 h ILE 28 CO 0.64 0.83 0.00 -0.62 -0.68 0.00 0.00 178.15 178.33 2q78 n GLU 29 N -3.53 0.31 0.00 2.37 4.71 -1.26 -4.65 120.64 118.59 2q78 n GLU 29 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2q78 n GLU 29 Cb 1.06 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 30.14 2q78 n GLU 29 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2q78 n LEU 31 N 1.68 0.00 0.12 -4.62 4.77 -1.22 -4.92 117.00 112.81 2q78 n LEU 31 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2q78 n LEU 31 Cb 0.15 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.65 2q78 n LEU 31 CO 0.00 0.00 0.88 -2.24 -1.33 0.00 0.00 177.39 174.70 2q78 h ASP 32 N 0.00 0.00 1.28 -1.43 2.03 -1.93 -2.66 116.42 113.71 2q78 h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2q78 h ASP 32 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2q78 h ASP 32 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.14 2q78 h LEU 33 N 0.00 0.00 -3.41 0.15 3.38 -1.98 -3.48 115.31 109.98 2q78 h LEU 33 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2q78 h LEU 33 Cb 0.70 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2q78 h LEU 33 CO 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 178.44 177.85 2q78 n HIS 34 N -2.64 -0.91 -2.31 1.13 1.44 -1.01 -4.72 115.22 106.20 2q78 n HIS 34 Ca 0.03 0.12 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 2q78 n HIS 34 Cb 0.37 -1.88 -0.02 0.00 0.12 0.00 0.00 29.99 28.58 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 -6.55 3.62 0.08 2.39 1.43 -1.26 0.51 118.68 118.90 2q78 s LEU 35 Ca 0.26 1.71 -0.24 0.00 -1.03 0.00 0.00 54.13 54.84 2q78 s LEU 35 Cb -0.15 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 2q78 s LEU 35 CO 0.67 -0.81 0.72 -0.69 0.23 0.00 0.00 176.35 176.46 2q78 s VAL 36 N -2.45 4.64 0.49 -1.59 1.01 0.75 -0.94 120.40 122.30 2q78 s VAL 36 Ca 0.62 1.54 -0.21 0.00 0.00 0.00 0.00 61.98 63.93 2q78 s VAL 36 Cb -0.13 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2q78 s VAL 36 CO 0.31 0.45 1.10 0.00 0.00 0.00 0.00 175.10 176.96 2q78 s ALA 37 N -0.58 2.87 0.14 5.51 0.00 -1.26 -4.67 121.76 123.77 2q78 s ALA 37 Ca 0.35 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 2q78 s ALA 37 Cb -0.21 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2q78 s ALA 37 CO 0.23 -0.54 1.74 1.15 0.00 0.00 0.00 175.76 178.34 2q78 h THR 38 N 1.60 0.90 -0.62 0.00 2.02 -1.97 -2.32 112.91 112.52 2q78 h THR 38 Ca -0.49 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2q78 h THR 38 Cb 1.24 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2q78 h THR 38 CO 0.59 0.04 0.28 0.77 0.37 0.00 0.00 175.52 177.57 2q78 h SER 39 N 0.20 0.81 -0.72 4.18 4.64 -1.99 -1.45 113.55 119.22 2q78 h SER 39 Ca 0.13 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 2q78 h SER 39 Cb 0.11 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2q78 h SER 39 CO -0.15 0.70 0.20 0.00 -0.87 0.00 0.00 176.83 176.71 2q78 h ALA 40 N 1.42 0.98 -0.47 5.18 0.00 -1.89 -1.44 119.26 123.05 2q78 h ALA 40 Ca 0.22 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2q78 h ALA 40 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2q78 h ALA 40 CO -0.03 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.80 2q78 h LEU 41 N 1.09 0.76 -0.49 0.00 3.38 -0.81 -0.13 115.31 119.10 2q78 h LEU 41 Ca 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2q78 h LEU 41 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2q78 h LEU 41 CO -0.00 0.84 0.19 0.40 0.09 0.00 0.00 178.44 179.95 2q78 h ILE 42 N 0.73 1.22 -0.74 1.22 2.04 -0.97 -1.50 117.51 119.49 2q78 h ILE 42 Ca 0.14 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 2q78 h ILE 42 Cb 0.47 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2q78 h ILE 42 CO 0.02 0.26 0.23 1.23 0.00 0.00 0.00 178.15 179.89 2q78 h GLY 43 N 0.66 1.24 0.65 5.37 0.00 -0.99 -0.22 103.07 109.78 2q78 h GLY 43 Ca 0.16 -0.73 0.04 0.00 0.00 0.00 0.00 47.33 46.80 2q78 h GLY 43 CO -0.01 0.68 -0.02 -2.08 0.00 0.00 0.00 176.54 175.11 2q78 h VAL 44 N 1.11 0.83 -0.63 4.60 2.07 -0.71 -0.83 116.25 122.69 2q78 h VAL 44 Ca 0.24 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 2q78 h VAL 44 Cb 0.30 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2q78 h VAL 44 CO -0.01 0.01 0.29 0.58 0.02 0.00 0.00 177.57 178.46 2q78 h VAL 45 N 0.04 1.22 -0.65 2.57 2.07 -0.91 -2.66 116.25 117.93 2q78 h VAL 45 Ca 0.10 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2q78 h VAL 45 Cb 0.13 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2q78 h VAL 45 CO -0.18 0.26 0.34 0.45 0.02 0.00 0.00 177.57 178.46 2q78 h HIS 46 N 0.87 0.92 -1.01 1.57 3.86 -0.86 -2.81 115.15 117.70 2q78 h HIS 46 Ca 0.21 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2q78 h HIS 46 Cb 0.15 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 2q78 h HIS 46 CO 0.00 0.67 0.66 -0.09 0.86 0.00 0.00 177.93 180.04 2q78 h ARG 47 N 0.89 1.28 -0.29 2.45 2.43 -0.82 0.36 114.38 120.69 2q78 h ARG 47 Ca 0.23 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2q78 h ARG 47 Cb 0.08 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2q78 h ARG 47 CO -0.03 0.85 -0.03 0.28 -1.51 0.00 0.00 179.97 179.52 2q78 h VAL 48 N 1.32 1.19 -0.27 0.20 2.07 -1.24 -1.42 116.25 118.10 2q78 h VAL 48 Ca 0.39 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 2q78 h VAL 48 Cb -0.07 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2q78 h VAL 48 CO -0.10 0.26 -0.36 0.77 0.02 0.00 0.00 177.57 178.15 2q78 h SER 49 N 0.43 0.63 -0.22 0.57 4.64 -0.77 -1.97 113.55 116.86 2q78 h SER 49 Ca 0.09 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 2q78 h SER 49 Cb 0.33 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2q78 h SER 49 CO 0.01 0.93 -0.26 0.22 -0.87 0.00 0.00 176.83 176.87 2q78 h TYR 50 N 0.51 0.79 -0.70 4.77 5.03 -0.50 -1.40 116.97 125.47 2q78 h TYR 50 Ca 0.05 -0.19 -0.04 0.00 2.58 0.00 0.00 58.73 61.13 2q78 h TYR 50 Cb 0.86 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.92 2q78 h TYR 50 CO 0.04 0.88 0.28 1.49 -1.32 0.00 0.00 178.16 179.53 2q78 h GLU 51 N 0.60 1.05 0.64 1.82 4.57 -0.88 -0.19 114.58 122.20 2q78 h GLU 51 Ca 0.08 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2q78 h GLU 51 Cb 0.75 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2q78 h GLU 51 CO 0.06 0.87 -0.33 1.25 -1.18 0.00 0.00 179.01 179.67 2q78 h LEU 52 N 1.00 -0.80 -1.74 1.64 6.46 -1.33 -3.15 115.31 117.39 2q78 h LEU 52 Ca 0.23 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.08 2q78 h LEU 52 Cb 0.21 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2q78 h LEU 52 CO -0.02 -0.55 0.28 -0.07 -0.62 0.00 0.00 178.44 177.46 2q78 h LEU 53 N -0.90 0.29 -0.76 2.25 3.38 -0.96 -2.18 115.31 116.43 2q78 h LEU 53 Ca -0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2q78 h LEU 53 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2q78 h LEU 53 CO 0.13 0.19 0.00 0.77 0.09 0.00 0.00 178.44 179.62 2q78 h SER 54 N 0.33 0.00 0.74 -0.43 4.64 -0.99 0.02 113.55 117.86 2q78 h SER 54 Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2q78 h SER 54 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2q78 h SER 54 CO -0.04 0.00 -0.33 0.03 -0.87 0.00 0.00 176.83 175.62 2q78 h ARG 55 N 0.00 0.00 0.00 4.77 3.08 -1.40 -3.38 114.38 117.45 2q78 h ARG 55 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q78 h ARG 55 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 2q78 h ARG 55 CO 0.00 0.33 -1.01 0.66 -1.07 0.00 0.00 179.97 178.88 2q78 n TYR 56 N -3.59 0.00 -2.17 3.04 4.01 -0.83 -5.02 117.16 112.60 2q78 n TYR 56 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2q78 n TYR 56 Cb 0.46 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.35 4.42 0.59 7.72 1.43 -0.07 -5.00 118.68 124.43 2q78 s LEU 57 Ca -0.00 2.51 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 2q78 s LEU 57 Cb 0.00 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 2q78 s LEU 57 CO 0.01 -0.53 0.84 -2.65 0.23 0.00 0.00 176.35 174.25 2q78 n PRO 58 N 2.06 0.80 0.18 1.29 -0.02 -1.26 -4.88 135.00 133.18 2q78 n PRO 58 Ca 0.04 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 2q78 n PRO 58 Cb 0.42 -2.03 0.61 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.45 0.00 0.05 2.55 2.35 -1.97 -1.11 115.58 117.90 2q78 h ASN 59 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2q78 h ASN 59 Cb 1.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.74 2q78 h ASN 59 CO 0.50 0.00 -0.05 -0.90 -1.65 0.00 0.00 177.43 175.33 2q78 n ASP 60 N -2.45 1.21 -4.70 5.81 5.75 -1.26 -4.93 116.55 115.98 2q78 n ASP 60 Ca 0.01 -1.29 -0.29 0.00 -0.01 0.00 0.00 54.79 53.20 2q78 n ASP 60 Cb 0.18 0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.21 2q78 n ASP 60 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2q78 s TYR 61 N -2.12 3.00 0.27 2.11 1.51 -0.42 -1.38 117.35 120.32 2q78 s TYR 61 Ca 0.36 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.41 2q78 s TYR 61 Cb 0.21 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 2q78 s TYR 61 CO 0.38 0.49 0.09 -2.37 -1.11 0.00 0.00 175.55 173.03 2q78 n THR 62 N 0.41 0.00 -3.71 -0.71 5.66 -0.15 -4.82 114.28 110.96 2q78 n THR 62 Ca -0.10 -1.53 -0.11 0.00 -3.05 0.00 0.00 64.05 59.25 2q78 n THR 62 Cb 0.52 0.54 -0.11 0.00 -1.55 0.00 0.00 70.33 69.74 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 -2.71 -1.03 0.04 1.79 0.00 -1.26 -1.38 121.76 117.20 2q78 s ALA 63 Ca 0.13 1.39 0.06 0.00 0.00 0.00 0.00 51.96 53.53 2q78 s ALA 63 Cb 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2q78 s ALA 63 CO 0.09 -0.24 -0.16 0.14 0.00 0.00 0.00 175.76 175.59 2q78 s VAL 64 N 0.96 1.27 0.09 0.00 -7.23 -0.75 -4.92 120.40 109.82 2q78 s VAL 64 Ca -0.06 -1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.76 2q78 s VAL 64 Cb -0.06 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.67 2q78 s VAL 64 CO -0.08 0.07 1.32 -0.69 -0.31 0.00 0.00 175.10 175.42 2q78 s VAL 65 N -0.81 3.58 -0.07 1.32 1.01 -1.26 -0.90 120.40 123.26 2q78 s VAL 65 Ca 0.03 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.20 2q78 s VAL 65 Cb -0.08 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2q78 s VAL 65 CO 0.01 0.08 0.15 1.33 0.00 0.00 0.00 175.10 176.68 2q78 n VAL 66 N 3.97 0.00 -3.73 2.92 0.24 -0.52 -4.88 118.33 116.32 2q78 n VAL 66 Ca 0.11 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 2q78 n VAL 66 Cb 0.44 0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.15 0.44 -0.11 7.34 2.12 -1.11 -5.00 118.70 120.23 2q78 s GLU 67 Ca -0.01 0.57 -0.12 0.00 0.36 0.00 0.00 54.97 55.77 2q78 s GLU 67 Cb 0.04 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.65 2q78 s GLU 67 CO 0.23 -0.07 0.33 -0.08 -0.54 0.00 0.00 175.26 175.13 2q78 s THR 68 N 0.36 0.01 -0.01 -1.70 -1.32 -1.26 -0.51 115.64 111.20 2q78 s THR 68 Ca -0.01 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2q78 s THR 68 Cb -0.03 -0.50 0.02 0.00 -1.51 0.00 0.00 72.50 70.47 2q78 s THR 68 CO -0.01 -0.05 0.01 -0.22 -2.21 0.00 0.00 174.62 172.13 2q78 s LEU 69 N -0.11 1.49 -0.09 9.08 2.96 -0.26 -5.01 118.68 126.74 2q78 s LEU 69 Ca -0.03 -0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 2q78 s LEU 69 Cb -0.03 -0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.59 2q78 s LEU 69 CO 0.01 -0.06 0.32 0.00 -1.32 0.00 0.00 176.35 175.30 2q78 s ALA 70 N 0.59 -0.81 -0.15 5.97 0.00 -1.26 -0.99 121.76 125.12 2q78 s ALA 70 Ca -0.05 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2q78 s ALA 70 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2q78 s ALA 70 CO -0.01 -0.19 -0.12 1.03 0.00 0.00 0.00 175.76 176.47 2q78 s ARG 71 N -0.33 3.35 -0.50 0.00 0.52 -0.35 -5.01 118.95 116.64 2q78 s ARG 71 Ca -0.05 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 2q78 s ARG 71 Cb -0.03 -2.71 0.13 0.00 0.52 0.00 0.00 34.95 32.86 2q78 s ARG 71 CO 0.02 0.09 0.40 -1.58 0.02 0.00 0.00 175.30 174.25 2q78 s HIS 72 N 0.66 3.38 -0.14 -0.53 5.65 -1.26 -2.01 115.29 121.04 2q78 s HIS 72 Ca -0.06 -1.71 0.17 0.00 0.25 0.00 0.00 55.06 53.71 2q78 s HIS 72 Cb -0.15 -3.60 -0.24 0.00 -1.18 0.00 0.00 32.58 27.41 2q78 s HIS 72 CO 0.02 -1.00 0.31 1.33 -0.65 0.00 0.00 174.74 174.75 2q78 n VAL 73 N 4.98 1.35 -4.24 0.89 0.24 0.75 -4.91 118.33 117.40 2q78 n VAL 73 Ca -0.09 -0.81 -0.17 0.00 -2.04 0.00 0.00 64.34 61.23 2q78 n VAL 73 Cb 0.41 -0.61 -0.13 0.00 -1.47 0.00 0.00 33.84 32.03 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 -2.61 0.71 0.40 7.34 2.20 -1.11 -5.03 119.74 121.64 2q78 s LYS 74 Ca -0.08 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 54.66 2q78 s LYS 74 Cb 0.07 -0.65 -0.09 0.00 -1.51 0.00 0.00 37.83 35.66 2q78 s LYS 74 CO 0.83 0.16 1.07 0.00 -0.36 0.00 0.00 175.35 177.05 2q78 s ALA 75 N -0.83 3.08 -0.08 3.13 0.00 -1.26 -4.79 121.76 121.01 2q78 s ALA 75 Ca -0.01 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 2q78 s ALA 75 Cb -0.07 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2q78 s ALA 75 CO 0.01 -0.29 0.18 0.54 0.00 0.00 0.00 175.76 176.20 2q78 s VAL 76 N -1.62 -0.08 0.45 0.00 0.11 -1.26 -5.05 120.40 112.95 2q78 s VAL 76 Ca 0.58 0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 59.63 2q78 s VAL 76 Cb -0.23 -0.29 -0.10 0.00 -1.53 0.00 0.00 36.38 34.23 2q78 s VAL 76 CO 0.29 0.08 0.96 -2.16 -3.33 0.00 0.00 175.10 170.94 2q78 s PRO 77 N 1.33 4.15 0.67 1.54 0.04 -1.26 -0.18 135.00 141.29 2q78 s PRO 77 Ca -0.08 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 2q78 s PRO 77 Cb -0.11 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.27 2q78 s PRO 77 CO -0.07 -0.10 1.22 0.95 0.04 0.00 0.00 177.00 179.04 2q78 s THR 78 N -2.29 2.41 0.00 1.26 -4.23 0.18 -3.04 115.64 109.93 2q78 s THR 78 Ca 0.61 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2q78 s THR 78 Cb -0.09 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2q78 s THR 78 CO 0.18 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2q78 n GLY 79 N 0.45 1.35 3.83 3.99 0.00 0.16 -5.00 105.19 109.97 2q78 n GLY 79 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.31 4.46 -0.26 2.61 2.01 -1.17 -4.82 115.64 116.16 2q78 s THR 80 Ca 0.00 1.36 -0.08 0.00 0.31 0.00 0.00 61.69 63.28 2q78 s THR 80 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2q78 s THR 80 CO 0.00 -0.29 0.08 -0.60 -0.69 0.00 0.00 174.62 173.12 2q78 s ARG 81 N -3.15 3.55 0.03 4.92 3.52 -1.26 -0.64 118.95 125.92 2q78 s ARG 81 Ca 0.60 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 55.69 2q78 s ARG 81 Cb -0.09 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2q78 s ARG 81 CO 0.14 -0.25 -0.09 0.14 -0.81 0.00 0.00 175.30 174.43 2q78 s VAL 82 N 1.60 3.48 -0.08 7.11 -7.23 -0.15 -4.69 120.40 120.45 2q78 s VAL 82 Ca 0.06 -0.92 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 2q78 s VAL 82 Cb -0.16 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2q78 s VAL 82 CO 0.04 0.33 0.81 0.00 -0.31 0.00 0.00 175.10 175.97 2q78 s ALA 83 N -1.03 3.35 -0.16 1.32 0.00 -1.26 -0.31 121.76 123.66 2q78 s ALA 83 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2q78 s ALA 83 Cb -0.11 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.91 2q78 s ALA 83 CO 0.09 -0.29 -0.13 0.08 0.00 0.00 0.00 175.76 175.50 2q78 s VAL 84 N 1.25 1.55 -0.04 0.00 1.01 0.79 -4.38 120.40 120.57 2q78 s VAL 84 Ca 0.41 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.75 2q78 s VAL 84 Cb -0.18 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2q78 s VAL 84 CO 0.19 0.38 -0.23 -0.83 0.00 0.00 0.00 175.10 174.61 2q78 s GLY 85 N 1.48 1.34 0.06 4.51 0.00 -0.43 -0.72 107.32 113.56 2q78 s GLY 85 Ca 0.03 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.73 2q78 s GLY 85 CO -0.10 -0.78 -0.11 -1.34 0.00 0.00 0.00 173.10 170.78 2q78 s VAL 86 N -0.44 0.83 -0.03 1.40 -7.23 0.20 -1.06 120.40 114.07 2q78 s VAL 86 Ca 0.05 -1.25 -0.08 0.00 -1.81 0.00 0.00 61.98 58.89 2q78 s VAL 86 Cb -0.12 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 35.93 2q78 s VAL 86 CO 0.01 -0.34 0.18 0.00 -0.31 0.00 0.00 175.10 174.64 2q78 s ARG 87 N -1.81 0.38 -0.17 4.82 1.70 -0.30 -1.34 118.95 122.23 2q78 s ARG 87 Ca -0.05 -0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 54.84 2q78 s ARG 87 Cb -0.09 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 2q78 s ARG 87 CO 0.01 -0.08 1.16 0.08 -1.08 0.00 0.00 175.30 175.39 2q78 s VAL 88 N -0.71 4.46 -0.13 4.99 1.01 0.14 -1.33 120.40 128.82 2q78 s VAL 88 Ca -0.08 1.76 0.16 0.00 0.00 0.00 0.00 61.98 63.82 2q78 s VAL 88 Cb -0.05 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.96 2q78 s VAL 88 CO 0.01 -0.12 0.33 1.33 0.00 0.00 0.00 175.10 176.66 2q78 n VAL 89 N 5.17 1.42 -3.74 2.92 0.24 0.70 -3.62 118.33 121.42 2q78 n VAL 89 Ca 0.12 -0.82 0.01 0.00 -2.04 0.00 0.00 64.34 61.61 2q78 n VAL 89 Cb 0.46 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 -5.29 -0.27 -0.07 7.63 0.00 -1.18 -4.91 107.32 103.22 2q78 s GLY 90 Ca -0.08 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.02 2q78 s GLY 90 CO 0.83 1.49 -0.07 0.14 0.00 0.00 0.00 173.10 175.49 2q78 s VAL 91 N -2.43 0.82 -0.20 1.40 1.01 -1.26 -0.78 120.40 118.96 2q78 s VAL 91 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2q78 s VAL 91 Cb 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.63 2q78 s VAL 91 CO -0.01 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 174.66 2q78 s VAL 92 N 1.22 1.23 0.00 2.92 1.01 -0.26 -4.99 120.40 121.53 2q78 s VAL 92 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2q78 s VAL 92 Cb -0.14 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2q78 s VAL 92 CO -0.02 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2q78 n GLY 93 N 4.80 3.15 1.21 4.51 0.00 -1.26 -1.35 105.19 116.25 2q78 n GLY 93 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 2.79 3.14 -4.43 1.61 6.94 -1.26 -4.63 115.26 119.41 2q78 n ASN 94 Ca 0.00 -2.47 -0.36 0.00 -0.02 0.00 0.00 54.58 51.73 2q78 n ASN 94 Cb 0.00 -0.60 -0.13 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 -1.70 3.61 -0.24 -3.83 1.81 -0.46 -0.28 118.95 117.87 2q78 s ARG 95 Ca 0.24 -0.51 -0.07 0.00 -1.72 0.00 0.00 55.73 53.67 2q78 s ARG 95 Cb 0.19 -3.19 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 2q78 s ARG 95 CO 0.06 -0.11 0.06 0.08 -0.68 0.00 0.00 175.30 174.71 2q78 s VAL 96 N 1.36 4.31 -0.09 3.52 1.01 -0.56 -1.10 120.40 128.86 2q78 s VAL 96 Ca 0.05 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2q78 s VAL 96 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2q78 s VAL 96 CO 0.02 0.36 0.48 -0.75 0.00 0.00 0.00 175.10 175.21 2q78 s LYS 97 N 1.41 4.29 0.14 2.72 2.20 0.04 -1.52 119.74 129.02 2q78 s LYS 97 Ca 0.05 0.48 0.11 0.00 -0.36 0.00 0.00 55.97 56.26 2q78 s LYS 97 Cb -0.15 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2q78 s LYS 97 CO 0.03 0.25 -0.26 -0.06 -0.36 0.00 0.00 175.35 174.95 2q78 s PHE 98 N 0.31 2.29 0.09 4.03 0.08 0.14 -0.21 117.98 124.70 2q78 s PHE 98 Ca 0.26 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 57.00 2q78 s PHE 98 Cb -0.16 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2q78 s PHE 98 CO 0.12 0.36 -0.12 1.03 -0.10 0.00 0.00 175.22 176.51 2q78 s ARG 99 N -2.16 2.13 -0.01 0.44 0.52 -0.44 -1.68 118.95 117.74 2q78 s ARG 99 Ca 0.15 -1.00 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 2q78 s ARG 99 Cb -0.10 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2q78 s ARG 99 CO 0.07 0.52 0.11 0.20 0.02 0.00 0.00 175.30 176.22 2q78 s GLY 100 N -2.02 0.03 -0.01 -3.53 0.00 -0.58 -1.15 107.32 100.06 2q78 s GLY 100 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2q78 s GLY 100 CO 0.12 -0.15 -0.00 -1.50 0.00 0.00 0.00 173.10 171.57 2q78 s ILE 101 N -0.95 0.06 0.47 0.90 1.10 -0.23 -0.36 121.20 122.19 2q78 s ILE 101 Ca -0.10 0.02 0.06 0.00 -0.51 0.00 0.00 60.65 60.11 2q78 s ILE 101 Cb -0.06 -0.09 -0.02 0.00 0.15 0.00 0.00 42.46 42.44 2q78 s ILE 101 CO 0.01 0.04 0.21 -0.69 -2.11 0.00 0.00 174.94 172.40 2q78 s VAL 102 N 0.26 1.91 -0.33 4.00 1.01 0.24 -1.31 120.40 126.19 2q78 s VAL 102 Ca -0.02 -1.69 0.04 0.00 0.00 0.00 0.00 61.98 60.30 2q78 s VAL 102 Cb -0.04 -2.60 0.17 0.00 0.00 0.00 0.00 36.38 33.91 2q78 s VAL 102 CO -0.01 0.00 0.47 -0.55 0.00 0.00 0.00 175.10 175.02 2q78 s SER 104 N -4.01 -0.15 1.66 3.32 0.15 0.49 -0.69 113.70 114.48 2q78 s SER 104 Ca 0.32 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2q78 s SER 104 Cb 0.02 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 2q78 s SER 104 CO 0.18 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2q78 n GLY 105 N 5.00 3.85 0.10 9.45 0.00 -1.26 -1.40 105.19 120.93 2q78 n GLY 105 Ca 0.05 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.32 2q78 n GLY 105 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2q78 n ASP 106 N 6.79 0.42 -4.67 1.61 3.85 -1.26 -4.84 116.55 118.45 2q78 n ASP 106 Ca 0.00 -0.49 -0.39 0.00 -0.71 0.00 0.00 54.79 53.20 2q78 n ASP 106 Cb 0.00 -0.09 -0.07 0.00 -1.35 0.00 0.00 41.12 39.60 2q78 n ASP 106 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2q78 s GLU 107 N -2.51 4.18 -0.13 0.11 0.41 -0.49 -5.05 118.70 115.21 2q78 s GLU 107 Ca 0.28 0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 54.83 2q78 s GLU 107 Cb 0.20 -3.55 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2q78 s GLU 107 CO 0.48 -0.08 1.31 0.21 -0.49 0.00 0.00 175.26 176.69 2q78 s LYS 108 N 1.44 4.24 -0.24 1.61 2.20 -1.26 -0.38 119.74 127.36 2q78 s LYS 108 Ca 0.21 1.75 -0.12 0.00 -0.36 0.00 0.00 55.97 57.46 2q78 s LYS 108 Cb -0.15 -3.75 -0.16 0.00 -1.51 0.00 0.00 37.83 32.25 2q78 s LYS 108 CO 0.09 -0.68 -0.12 -0.89 -0.36 0.00 0.00 175.35 173.39 2q78 n ILE 109 N 5.24 1.55 -3.76 5.43 2.08 0.13 -4.16 119.36 125.87 2q78 n ILE 109 Ca 0.14 -0.37 -0.13 0.00 0.56 0.00 0.00 62.75 62.94 2q78 n ILE 109 Cb 0.45 -1.81 -0.10 0.00 -0.75 0.00 0.00 39.64 37.43 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 -7.34 0.81 0.07 1.39 0.20 -1.16 -0.18 118.68 112.47 2q78 s LEU 110 Ca -0.34 0.35 0.06 0.00 0.69 0.00 0.00 54.13 54.89 2q78 s LEU 110 Cb 0.11 1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 47.04 2q78 s LEU 110 CO 0.57 -0.29 -0.17 -1.83 -0.29 0.00 0.00 176.35 174.34 2q78 s GLU 111 N -0.64 1.01 0.04 1.98 -1.05 -0.85 -0.59 118.70 118.59 2q78 s GLU 111 Ca -0.07 -0.95 -0.02 0.00 -0.15 0.00 0.00 54.97 53.78 2q78 s GLU 111 Cb -0.04 -1.10 -0.03 0.00 -0.44 0.00 0.00 34.13 32.52 2q78 s GLU 111 CO 0.02 0.26 -0.00 0.00 0.95 0.00 0.00 175.26 176.49 2q78 s ALA 112 N -1.05 0.29 -0.04 -0.84 0.00 0.52 -1.21 121.76 119.43 2q78 s ALA 112 Ca 0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 2q78 s ALA 112 Cb -0.09 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.30 2q78 s ALA 112 CO 0.02 -0.31 0.01 -2.00 0.00 0.00 0.00 175.76 173.48 2q78 s GLU 113 N -3.05 0.33 0.20 0.00 2.12 -0.16 -1.52 118.70 116.61 2q78 s GLU 113 Ca -0.01 0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.31 2q78 s GLU 113 Cb 0.02 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 33.82 2q78 s GLU 113 CO -0.07 -0.19 0.41 -0.59 -0.54 0.00 0.00 175.26 174.28 2q78 s PHE 114 N 1.33 0.23 -0.04 5.30 -0.71 -0.68 -1.10 117.98 122.32 2q78 s PHE 114 Ca -0.05 -0.59 0.02 0.00 -1.04 0.00 0.00 56.93 55.26 2q78 s PHE 114 Cb -0.13 0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.84 2q78 s PHE 114 CO -0.02 -0.85 -0.06 0.08 -1.34 0.00 0.00 175.22 173.02 2q78 s VAL 115 N -3.95 0.63 0.01 -2.49 1.01 0.33 0.28 120.40 116.21 2q78 s VAL 115 Ca 0.16 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2q78 s VAL 115 Cb 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2q78 s VAL 115 CO 0.02 0.23 -0.01 -0.13 0.00 0.00 0.00 175.10 175.20 2q78 s ARG 116 N 0.63 2.72 -0.22 2.72 0.52 -0.57 -1.43 118.95 123.31 2q78 s ARG 116 Ca -0.09 -0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 54.31 2q78 s ARG 116 Cb -0.12 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2q78 s ARG 116 CO 0.01 0.61 0.41 0.00 0.02 0.00 0.00 175.30 176.35 2q78 s ALA 117 N -1.08 3.56 -0.17 2.13 0.00 -0.08 -1.49 121.76 124.63 2q78 s ALA 117 Ca 0.19 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 2q78 s ALA 117 Cb -0.11 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2q78 s ALA 117 CO 0.10 -0.41 0.71 0.42 0.00 0.00 0.00 175.76 176.58 2q78 s ILE 118 N 1.54 4.98 -0.06 0.00 1.01 0.62 -1.81 121.20 127.47 2q78 s ILE 118 Ca 0.19 1.37 -0.06 0.00 0.00 0.00 0.00 60.65 62.14 2q78 s ILE 118 Cb -0.15 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2q78 s ILE 118 CO 0.08 0.10 0.17 -0.69 0.00 0.00 0.00 174.94 174.60 2q78 s VAL 119 N 1.86 0.00 0.34 2.92 1.01 -0.48 -4.85 120.40 121.21 2q78 s VAL 119 Ca 0.33 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 2q78 s VAL 119 Cb -0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 36.38 35.85 2q78 s VAL 119 CO 0.12 -0.01 1.54 -2.84 0.00 0.00 0.00 175.10 173.90 2q78 s PRO 120 N 0.04 4.11 0.22 2.72 0.02 -1.26 -0.97 135.00 139.87 2q78 s PRO 120 Ca -0.01 2.59 -0.09 0.00 0.02 0.00 0.00 61.00 63.51 2q78 s PRO 120 Cb -0.01 -2.99 0.21 0.00 0.02 0.00 0.00 34.50 31.72 2q78 s PRO 120 CO 0.00 -0.58 1.88 0.00 -0.33 0.00 0.00 177.00 177.97 2q78 h ARG 121 N 3.75 1.02 -0.91 5.54 3.08 -1.54 -1.15 114.38 124.16 2q78 h ARG 121 Ca -0.49 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 59.58 2q78 h ARG 121 Cb 1.23 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 30.98 2q78 h ARG 121 CO 0.70 0.67 0.56 0.93 -1.07 0.00 0.00 179.97 181.76 2q78 h GLU 122 N 1.05 0.92 -0.32 0.04 4.39 -1.91 0.26 114.58 119.01 2q78 h GLU 122 Ca 0.31 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2q78 h GLU 122 Cb -0.06 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 2q78 h GLU 122 CO -0.09 0.61 0.05 -0.22 -1.16 0.00 0.00 179.01 178.21 2q78 h LYS 123 N 0.95 0.53 -0.85 2.33 1.63 -1.60 -1.01 116.57 118.55 2q78 h LYS 123 Ca 0.42 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 2q78 h LYS 123 Cb 0.32 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 2q78 h LYS 123 CO -0.22 0.62 0.40 1.25 -3.45 0.00 0.00 179.45 178.05 2q78 h LEU 124 N 0.36 1.12 -0.12 5.20 5.85 -0.97 -1.51 115.31 125.24 2q78 h LEU 124 Ca 0.10 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2q78 h LEU 124 Cb 0.34 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2q78 h LEU 124 CO 0.01 0.94 -0.01 0.03 -0.34 0.00 0.00 178.44 179.07 2q78 h ARG 125 N 1.21 0.02 -0.81 1.25 3.08 -0.70 -1.01 114.38 117.43 2q78 h ARG 125 Ca 0.29 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.40 2q78 h ARG 125 Cb 0.13 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2q78 h ARG 125 CO -0.04 0.01 0.53 0.00 -1.07 0.00 0.00 179.97 179.41 2q78 h ARG 126 N 0.02 0.87 -0.10 0.04 3.08 -0.72 -0.28 114.38 117.29 2q78 h ARG 126 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2q78 h ARG 126 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2q78 h ARG 126 CO -0.11 0.58 0.00 -0.07 -1.07 0.00 0.00 179.97 179.30 2q78 h LEU 127 N 0.90 0.17 -0.52 3.04 3.38 -1.03 -1.65 115.31 119.60 2q78 h LEU 127 Ca 0.35 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2q78 h LEU 127 Cb 0.21 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2q78 h LEU 127 CO -0.12 0.43 0.25 0.00 0.09 0.00 0.00 178.44 179.09 2q78 h ALA 128 N 0.75 0.66 -0.47 1.53 0.00 -0.51 -1.48 119.26 119.74 2q78 h ALA 128 Ca 0.03 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2q78 h ALA 128 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2q78 h ALA 128 CO 0.00 -0.11 -0.15 1.25 0.00 0.00 0.00 179.25 180.25 2q78 h LEU 129 N 0.49 0.90 -0.23 0.00 5.85 -1.05 -2.05 115.31 119.22 2q78 h LEU 129 Ca 0.23 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2q78 h LEU 129 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2q78 h LEU 129 CO -0.18 1.04 0.15 -0.33 -0.34 0.00 0.00 178.44 178.78 2q78 h GLU 130 N 0.79 0.31 -0.68 1.25 3.07 -0.88 -2.01 114.58 116.44 2q78 h GLU 130 Ca 0.12 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2q78 h GLU 130 Cb 0.68 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 2q78 h GLU 130 CO 0.05 0.23 0.35 1.57 -1.40 0.00 0.00 179.01 179.81 2q78 h LYS 131 N 0.30 0.94 0.00 2.33 5.09 -1.19 -2.28 116.57 121.76 2q78 h LYS 131 Ca 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 60.65 60.67 2q78 h LYS 131 Cb -0.00 -0.18 -0.01 0.00 0.10 0.00 0.00 32.23 32.14 2q78 h LYS 131 CO -0.02 0.71 -0.20 0.00 -2.09 0.00 0.00 179.45 177.85 2q78 h ALA 132 N 1.44 1.26 0.00 0.07 0.00 -1.00 -3.52 119.26 117.51 2q78 h ALA 132 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2q78 h ALA 132 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2q78 h ALA 132 CO -0.04 0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.85