#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q78 s ASP 3 N 0.00 2.31 -0.15 4.39 2.15 -1.26 -5.19 116.67 118.92 2q78 s ASP 3 Ca 0.00 -0.39 0.16 0.00 0.43 0.00 0.00 52.55 52.75 2q78 s ASP 3 Cb 0.00 -0.82 0.61 0.00 -0.30 0.00 0.00 42.92 42.42 2q78 s ASP 3 CO 0.00 -0.15 1.53 0.49 -0.17 0.00 0.00 175.17 176.87 2q78 n PHE 4 N 4.95 1.26 0.28 -5.34 3.72 -1.26 -4.67 117.46 116.40 2q78 n PHE 4 Ca -0.12 -0.72 0.17 0.00 -0.05 0.00 0.00 57.45 56.74 2q78 n PHE 4 Cb 0.49 -0.29 0.70 0.00 -0.94 0.00 0.00 39.48 39.44 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 2.93 0.00 0.00 4.37 5.19 -1.93 -2.31 116.42 124.67 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 1.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.97 2q78 h ASP 5 CO 0.25 0.00 0.06 2.19 -3.12 0.00 0.00 179.24 178.62 2q78 h PHE 6 N 0.00 0.00 0.00 4.55 -5.15 -2.02 -2.16 116.94 112.17 2q78 h PHE 6 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 2q78 h PHE 6 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.66 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 -9.46 2.10 3.38 -1.81 -3.46 115.31 106.06 2q78 h LEU 7 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2q78 h LEU 7 Cb 0.12 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.91 2q78 h LEU 7 CO 0.00 0.06 0.93 -0.62 0.09 0.00 0.00 178.44 178.90 2q78 n GLU 8 N -3.21 2.31 0.00 1.13 1.02 -0.81 -1.96 120.64 119.12 2q78 n GLU 8 Ca -0.00 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 2q78 n GLU 8 Cb 0.31 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 2q78 n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q78 n GLY 9 N 3.81 2.96 3.73 0.62 0.00 -0.24 -5.02 105.19 111.06 2q78 n GLY 9 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2q78 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q78 n LYS 10 N -2.00 1.49 -3.95 1.61 4.76 -0.83 -4.73 118.16 114.51 2q78 n LYS 10 Ca 0.00 0.56 -0.09 0.00 -2.87 0.00 0.00 58.31 55.90 2q78 n LYS 10 Cb 0.00 -2.53 -0.10 0.00 -1.84 0.00 0.00 35.03 30.56 2q78 n LYS 10 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2q78 s ARG 11 N -2.99 0.47 -0.12 1.97 1.70 -1.26 -1.44 118.95 117.28 2q78 s ARG 11 Ca 0.75 -0.68 -0.10 0.00 -0.47 0.00 0.00 55.73 55.23 2q78 s ARG 11 Cb -0.41 0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.18 2q78 s ARG 11 CO 0.47 -0.10 0.31 -1.17 -1.08 0.00 0.00 175.30 173.73 2q78 s LEU 12 N -1.82 0.69 -0.02 -1.89 2.96 -0.61 -5.01 118.68 112.97 2q78 s LEU 12 Ca -0.10 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.51 2q78 s LEU 12 Cb -0.05 1.06 -0.01 0.00 0.50 0.00 0.00 46.19 47.69 2q78 s LEU 12 CO -0.03 -0.12 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.81 2q78 s THR 13 N 0.39 1.42 0.00 3.68 2.01 -1.26 -0.95 115.64 120.94 2q78 s THR 13 Ca -0.02 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.25 2q78 s THR 13 Cb -0.04 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 2q78 s THR 13 CO -0.02 0.40 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.65 2q78 s GLU 14 N -0.29 0.47 -0.26 4.92 2.02 0.17 -4.96 118.70 120.76 2q78 s GLU 14 Ca 0.04 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.46 2q78 s GLU 14 Cb -0.08 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 33.74 2q78 s GLU 14 CO 0.00 0.11 0.91 0.34 0.02 0.00 0.00 175.26 176.64 2q78 s ASP 15 N -0.40 6.89 -0.08 -0.19 2.15 -1.26 -0.94 116.67 122.83 2q78 s ASP 15 Ca -0.00 1.08 0.03 0.00 0.43 0.00 0.00 52.55 54.08 2q78 s ASP 15 Cb -0.04 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 40.12 2q78 s ASP 15 CO -0.00 -0.62 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.52 2q78 s VAL 16 N 3.06 1.52 -0.11 1.11 1.01 -0.04 -4.95 120.40 122.00 2q78 s VAL 16 Ca 0.38 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2q78 s VAL 16 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2q78 s VAL 16 CO 0.09 0.44 1.15 0.00 0.00 0.00 0.00 175.10 176.77 2q78 s ALA 17 N 0.57 3.52 -0.38 5.51 0.00 -1.26 -0.73 121.76 129.00 2q78 s ALA 17 Ca -0.16 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 2q78 s ALA 17 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2q78 s ALA 17 CO 0.05 -0.83 0.83 -0.51 0.00 0.00 0.00 175.76 175.30 2q78 s LEU 18 N 2.49 4.10 0.00 0.00 1.43 0.12 -5.00 118.68 121.83 2q78 s LEU 18 Ca 0.53 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.06 2q78 s LEU 18 Cb -0.22 -3.09 0.07 0.00 0.03 0.00 0.00 46.19 42.98 2q78 s LEU 18 CO 0.18 -0.80 0.59 -0.90 0.23 0.00 0.00 176.35 175.65 2q78 n ASP 19 N 6.58 2.33 0.20 2.29 5.68 -1.26 0.08 116.55 132.44 2q78 n ASP 19 Ca 0.04 -2.63 0.14 0.00 -0.50 0.00 0.00 54.79 51.85 2q78 n ASP 19 Cb 0.48 -0.23 0.50 0.00 -1.14 0.00 0.00 41.12 40.73 2q78 n ASP 19 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2q78 h GLU 20 N 0.00 0.00 -2.18 0.11 4.57 -1.96 -3.35 114.58 111.76 2q78 h GLU 20 Ca -0.29 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2q78 h GLU 20 Cb 1.20 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2q78 h GLU 20 CO 0.44 0.00 0.04 0.25 -1.18 0.00 0.00 179.01 178.56 2q78 n THR 21 N -2.69 0.96 0.00 0.32 -2.24 -1.26 -4.96 114.28 104.41 2q78 n THR 21 Ca 0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2q78 n THR 21 Cb 0.33 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 2.10 0.00 -2.12 2.28 3.14 -1.26 -5.07 118.33 117.41 2q78 n VAL 23 Ca 0.05 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.01 2q78 n VAL 23 Cb 0.26 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.02 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 -1.24 2.16 -0.00 1.45 -0.00 0.14 -4.47 118.94 116.98 2q78 s TRP 24 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 56.10 56.59 2q78 s TRP 24 Cb 0.00 -3.89 0.01 0.00 -0.00 0.00 0.00 33.47 29.58 2q78 s TRP 24 CO 0.00 -3.08 0.78 0.27 -0.00 0.00 0.00 176.95 174.92 2q78 n ASN 25 N 7.76 1.06 -0.25 5.86 0.23 -1.26 -4.65 115.26 124.01 2q78 n ASN 25 Ca 0.18 -1.58 0.17 0.00 -0.53 0.00 0.00 54.58 52.82 2q78 n ASN 25 Cb 0.44 -0.01 0.46 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.49 -5.17 -3.83 5.08 -2.01 -3.40 114.58 105.74 2q78 h GLU 26 Ca 0.00 -0.03 -0.66 0.00 -1.00 0.00 0.00 59.36 57.67 2q78 h GLU 26 Cb 0.76 -0.11 -0.30 0.00 0.50 0.00 0.00 28.75 29.59 2q78 h GLU 26 CO 0.00 0.32 -0.80 0.34 -1.00 0.00 0.00 179.01 177.87 2q78 s ASP 27 N -5.67 3.68 0.16 1.42 -1.08 -1.26 -5.01 116.67 108.90 2q78 s ASP 27 Ca -0.09 -0.47 -0.03 0.00 -0.52 0.00 0.00 52.55 51.44 2q78 s ASP 27 Cb 0.23 -1.57 0.01 0.00 -1.46 0.00 0.00 42.92 40.12 2q78 s ASP 27 CO 0.78 0.07 1.40 0.40 0.52 0.00 0.00 175.17 178.34 2q78 h ILE 28 N 5.68 1.37 0.00 4.11 5.03 -1.97 -3.10 117.51 128.64 2q78 h ILE 28 Ca -0.34 -2.19 0.00 0.00 -0.12 0.00 0.00 64.86 62.21 2q78 h ILE 28 Cb 1.18 2.16 0.00 0.00 -3.03 0.00 0.00 36.82 37.14 2q78 h ILE 28 CO 0.58 0.66 0.00 -0.62 -0.68 0.00 0.00 178.15 178.09 2q78 n GLU 29 N -3.83 0.54 0.00 2.37 1.02 -1.26 -4.72 120.64 114.76 2q78 n GLU 29 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2q78 n GLU 29 Cb 0.74 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 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 1.24 0.00 0.08 -4.62 4.77 -1.17 -4.94 117.00 112.35 2q78 n LEU 31 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2q78 n LEU 31 Cb 0.27 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.78 2q78 n LEU 31 CO 0.00 0.00 0.81 -0.90 -1.33 0.00 0.00 177.39 175.97 2q78 n ASP 32 N 1.00 0.41 0.11 -1.43 5.75 -1.26 -1.46 116.55 119.68 2q78 n ASP 32 Ca 0.00 0.60 0.13 0.00 -0.01 0.00 0.00 54.79 55.51 2q78 n ASP 32 Cb 0.00 -0.69 0.44 0.00 -1.03 0.00 0.00 41.12 39.84 2q78 n ASP 32 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2q78 n LEU 33 N -1.95 0.75 -4.27 -2.12 4.77 -1.26 -4.94 117.00 107.98 2q78 n LEU 33 Ca 0.03 0.61 -0.31 0.00 -0.03 0.00 0.00 56.01 56.31 2q78 n LEU 33 Cb 0.21 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2q78 n LEU 33 CO 0.17 -0.31 -0.44 1.41 -1.33 0.00 0.00 177.39 176.89 2q78 n HIS 34 N -2.24 -1.31 -2.97 -1.77 8.25 -0.53 -4.78 115.22 109.86 2q78 n HIS 34 Ca 0.04 0.61 -0.32 0.00 -0.26 0.00 0.00 57.72 57.80 2q78 n HIS 34 Cb 0.36 -2.92 -0.05 0.00 1.12 0.00 0.00 29.99 28.50 2q78 n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2q78 s LEU 35 N -7.34 3.95 0.07 2.41 1.43 -1.26 0.36 118.68 118.30 2q78 s LEU 35 Ca 0.02 1.27 -0.24 0.00 -1.03 0.00 0.00 54.13 54.15 2q78 s LEU 35 Cb -0.01 -4.11 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 2q78 s LEU 35 CO 0.99 -0.31 0.74 -0.69 0.23 0.00 0.00 176.35 177.31 2q78 s VAL 36 N -2.17 4.66 0.47 -1.59 1.01 -0.29 0.29 120.40 122.77 2q78 s VAL 36 Ca 0.54 1.58 -0.22 0.00 0.00 0.00 0.00 61.98 63.88 2q78 s VAL 36 Cb -0.10 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 2q78 s VAL 36 CO 0.23 0.42 1.15 0.00 0.00 0.00 0.00 175.10 176.91 2q78 s ALA 37 N -0.43 2.92 0.21 5.51 0.00 -1.26 -4.61 121.76 124.10 2q78 s ALA 37 Ca 0.36 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 2q78 s ALA 37 Cb -0.21 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.76 2q78 s ALA 37 CO 0.23 -0.66 1.83 1.15 0.00 0.00 0.00 175.76 178.31 2q78 h THR 38 N 1.74 1.03 -0.18 0.00 2.02 -1.97 -2.16 112.91 113.40 2q78 h THR 38 Ca -0.49 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 2q78 h THR 38 Cb 1.25 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2q78 h THR 38 CO 0.60 0.14 -0.29 0.77 0.37 0.00 0.00 175.52 177.11 2q78 h SER 39 N 0.79 0.35 -0.38 4.18 4.64 -1.99 -1.84 113.55 119.29 2q78 h SER 39 Ca 0.30 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2q78 h SER 39 Cb 0.11 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2q78 h SER 39 CO -0.15 0.64 0.21 0.00 -0.87 0.00 0.00 176.83 176.67 2q78 h ALA 40 N 1.39 0.49 -0.45 5.18 0.00 -1.81 -1.45 119.26 122.61 2q78 h ALA 40 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2q78 h ALA 40 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2q78 h ALA 40 CO 0.05 0.01 0.03 -0.07 0.00 0.00 0.00 179.25 179.27 2q78 h LEU 41 N 0.49 0.68 -0.83 0.00 3.38 -1.00 -1.67 115.31 116.36 2q78 h LEU 41 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2q78 h LEU 41 Cb 0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2q78 h LEU 41 CO -0.02 0.73 0.32 0.40 0.09 0.00 0.00 178.44 179.96 2q78 h ILE 42 N 0.68 1.26 -0.80 1.22 2.04 -1.16 -1.69 117.51 119.06 2q78 h ILE 42 Ca 0.14 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.24 2q78 h ILE 42 Cb 0.38 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2q78 h ILE 42 CO 0.01 0.33 0.50 1.23 0.00 0.00 0.00 178.15 180.22 2q78 h GLY 43 N 1.16 1.19 0.88 5.37 0.00 -0.36 -1.01 103.07 110.30 2q78 h GLY 43 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2q78 h GLY 43 CO -0.02 0.27 -0.05 -2.08 0.00 0.00 0.00 176.54 174.66 2q78 h VAL 44 N 0.93 1.28 -0.32 4.60 2.07 -1.01 -0.19 116.25 123.61 2q78 h VAL 44 Ca 0.34 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 2q78 h VAL 44 Cb 0.11 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2q78 h VAL 44 CO -0.15 0.34 -0.11 0.58 0.02 0.00 0.00 177.57 178.25 2q78 h VAL 45 N 0.31 1.28 -0.66 2.57 2.07 -1.16 -2.60 116.25 118.07 2q78 h VAL 45 Ca 0.07 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.50 2q78 h VAL 45 Cb 0.53 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 2q78 h VAL 45 CO 0.03 0.38 0.30 0.45 0.02 0.00 0.00 177.57 178.75 2q78 h HIS 46 N 0.41 0.53 -0.54 1.57 3.86 -0.99 -2.89 115.15 117.11 2q78 h HIS 46 Ca 0.08 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2q78 h HIS 46 Cb 0.62 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 2q78 h HIS 46 CO 0.05 0.18 0.26 -0.09 0.86 0.00 0.00 177.93 179.20 2q78 h ARG 47 N 0.52 0.49 -0.72 2.45 2.43 -0.64 -0.68 114.38 118.23 2q78 h ARG 47 Ca 0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2q78 h ARG 47 Cb 0.35 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2q78 h ARG 47 CO -0.27 0.33 0.40 0.28 -1.51 0.00 0.00 179.97 179.19 2q78 h VAL 48 N 0.51 1.21 -0.56 0.20 2.07 -1.33 -1.29 116.25 117.06 2q78 h VAL 48 Ca 0.24 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2q78 h VAL 48 Cb 0.17 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2q78 h VAL 48 CO -0.18 0.23 0.24 0.77 0.02 0.00 0.00 177.57 178.66 2q78 h SER 49 N 1.00 0.73 -0.32 0.57 4.64 -0.99 -0.70 113.55 118.48 2q78 h SER 49 Ca 0.26 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2q78 h SER 49 Cb 0.01 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2q78 h SER 49 CO -0.04 0.64 -0.06 0.22 -0.87 0.00 0.00 176.83 176.72 2q78 h TYR 50 N 0.80 0.69 -0.52 4.77 5.03 -0.70 -0.87 116.97 126.17 2q78 h TYR 50 Ca 0.19 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2q78 h TYR 50 Cb 0.13 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 2q78 h TYR 50 CO 0.01 0.78 0.29 1.49 -1.32 0.00 0.00 178.16 179.41 2q78 h GLU 51 N 0.40 0.72 0.46 1.82 4.57 -0.82 0.18 114.58 121.90 2q78 h GLU 51 Ca 0.08 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2q78 h GLU 51 Cb 0.55 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2q78 h GLU 51 CO 0.03 0.56 -0.42 1.25 -1.18 0.00 0.00 179.01 179.25 2q78 h LEU 52 N 0.69 -1.13 -0.69 1.64 6.46 -1.06 -2.99 115.31 118.23 2q78 h LEU 52 Ca 0.18 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 58.10 2q78 h LEU 52 Cb 0.04 0.37 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 2q78 h LEU 52 CO -0.03 -0.58 0.38 -0.07 -0.62 0.00 0.00 178.44 177.51 2q78 h LEU 53 N -0.88 0.55 -2.45 2.25 3.38 -0.68 -2.22 115.31 115.27 2q78 h LEU 53 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2q78 h LEU 53 Cb 0.77 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2q78 h LEU 53 CO -0.04 0.35 0.01 0.77 0.09 0.00 0.00 178.44 179.62 2q78 h SER 54 N 0.69 0.00 0.66 -0.43 4.64 -0.57 0.21 113.55 118.75 2q78 h SER 54 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2q78 h SER 54 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2q78 h SER 54 CO -0.20 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 2q78 n ARG 55 N -3.87 0.07 0.00 4.77 1.74 -0.83 -3.99 116.66 114.54 2q78 n ARG 55 Ca -0.03 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2q78 n ARG 55 Cb 0.09 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2q78 n ARG 55 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2q78 n TYR 56 N -1.75 0.00 -2.64 -1.55 4.01 0.59 -5.07 117.16 110.75 2q78 n TYR 56 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.44 2q78 n TYR 56 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.03 3.84 0.79 7.72 1.43 -0.33 -5.03 118.68 126.08 2q78 s LEU 57 Ca 0.00 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.71 2q78 s LEU 57 Cb 0.00 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.76 2q78 s LEU 57 CO 0.00 -0.55 1.19 -2.84 0.23 0.00 0.00 176.35 174.38 2q78 s PRO 58 N -3.38 1.76 0.00 1.29 0.02 -1.26 -4.89 135.00 128.54 2q78 s PRO 58 Ca 0.63 1.69 0.16 0.00 0.02 0.00 0.00 61.00 63.51 2q78 s PRO 58 Cb -0.11 -1.80 0.81 0.00 0.02 0.00 0.00 34.50 33.42 2q78 s PRO 58 CO 0.19 -2.11 1.49 0.09 -0.33 0.00 0.00 177.00 176.33 2q78 n ASN 59 N -3.24 0.00 -0.12 2.53 3.02 -1.26 -1.92 115.26 114.26 2q78 n ASN 59 Ca 0.13 0.13 0.09 0.00 -0.03 0.00 0.00 54.58 54.90 2q78 n ASN 59 Cb 0.51 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 2q78 n ASN 59 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2q78 n ASP 60 N -1.32 1.17 -4.86 6.41 5.75 -1.26 -4.97 116.55 117.47 2q78 n ASP 60 Ca 0.07 -1.09 -0.35 0.00 -0.01 0.00 0.00 54.79 53.42 2q78 n ASP 60 Cb 0.14 0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 41.03 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 -2.65 3.50 0.19 2.11 1.51 -0.81 -1.05 117.35 120.14 2q78 s TYR 61 Ca 0.10 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 2q78 s TYR 61 Cb 0.15 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2q78 s TYR 61 CO 0.71 0.65 0.04 -2.37 -1.11 0.00 0.00 175.55 173.47 2q78 n THR 62 N 1.41 0.00 -3.71 -0.71 5.66 0.82 -4.81 114.28 112.94 2q78 n THR 62 Ca -0.15 -0.85 -0.11 0.00 -3.05 0.00 0.00 64.05 59.88 2q78 n THR 62 Cb 0.53 0.04 -0.12 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.31 -0.80 0.09 1.79 0.00 -1.26 -1.64 121.76 117.64 2q78 s ALA 63 Ca 0.03 1.26 0.09 0.00 0.00 0.00 0.00 51.96 53.34 2q78 s ALA 63 Cb -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2q78 s ALA 63 CO 0.02 -0.23 -0.23 0.14 0.00 0.00 0.00 175.76 175.46 2q78 s VAL 64 N 1.34 1.86 0.07 0.00 -7.23 -0.61 -4.90 120.40 110.92 2q78 s VAL 64 Ca -0.09 -1.52 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 2q78 s VAL 64 Cb -0.09 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 2q78 s VAL 64 CO -0.11 0.05 1.22 -0.69 -0.31 0.00 0.00 175.10 175.26 2q78 s VAL 65 N -1.05 3.94 -0.01 1.32 1.01 -1.26 -0.48 120.40 123.88 2q78 s VAL 65 Ca 0.09 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.53 2q78 s VAL 65 Cb -0.10 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2q78 s VAL 65 CO 0.04 0.11 0.13 1.33 0.00 0.00 0.00 175.10 176.72 2q78 n VAL 66 N 3.87 0.00 -3.63 2.92 0.24 -0.24 -4.92 118.33 116.56 2q78 n VAL 66 Ca 0.09 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 2q78 n VAL 66 Cb 0.46 0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.42 0.82 -0.06 7.34 2.12 -1.19 -5.01 118.70 120.30 2q78 s GLU 67 Ca -0.02 0.80 -0.24 0.00 0.36 0.00 0.00 54.97 55.86 2q78 s GLU 67 Cb 0.04 0.39 0.05 0.00 0.26 0.00 0.00 34.13 34.88 2q78 s GLU 67 CO 0.25 -0.13 0.55 -0.08 -0.54 0.00 0.00 175.26 175.31 2q78 s THR 68 N 0.08 0.02 -0.03 -1.70 -1.32 -1.26 0.18 115.64 111.60 2q78 s THR 68 Ca -0.02 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.30 2q78 s THR 68 Cb -0.04 -0.85 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2q78 s THR 68 CO 0.02 -0.09 0.05 -0.22 -2.21 0.00 0.00 174.62 172.18 2q78 s LEU 69 N -1.04 0.80 0.00 9.08 2.96 0.27 -4.99 118.68 125.76 2q78 s LEU 69 Ca -0.10 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2q78 s LEU 69 Cb -0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 46.19 46.64 2q78 s LEU 69 CO 0.07 -0.16 -0.01 0.00 -1.32 0.00 0.00 176.35 174.93 2q78 s ALA 70 N 1.36 0.03 -0.18 5.97 0.00 -1.26 -1.25 121.76 126.42 2q78 s ALA 70 Ca -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 2q78 s ALA 70 Cb -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2q78 s ALA 70 CO -0.03 -0.03 -0.09 1.03 0.00 0.00 0.00 175.76 176.63 2q78 s ARG 71 N -0.29 3.34 -0.48 0.00 0.52 -0.10 -5.01 118.95 116.94 2q78 s ARG 71 Ca -0.03 -0.67 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 2q78 s ARG 71 Cb -0.02 -2.82 0.10 0.00 0.52 0.00 0.00 34.95 32.73 2q78 s ARG 71 CO -0.00 -0.04 0.39 -1.58 0.02 0.00 0.00 175.30 174.09 2q78 s HIS 72 N 1.03 3.30 -0.09 -0.53 5.65 -1.26 -1.65 115.29 121.73 2q78 s HIS 72 Ca -0.00 -1.35 0.06 0.00 0.25 0.00 0.00 55.06 54.01 2q78 s HIS 72 Cb -0.15 -3.39 -0.24 0.00 -1.18 0.00 0.00 32.58 27.62 2q78 s HIS 72 CO -0.01 -0.92 0.49 1.33 -0.65 0.00 0.00 174.74 174.98 2q78 n VAL 73 N 5.10 1.65 -3.87 0.89 0.24 -0.28 -4.93 118.33 117.13 2q78 n VAL 73 Ca -0.12 -0.74 -0.12 0.00 -2.04 0.00 0.00 64.34 61.32 2q78 n VAL 73 Cb 0.42 -1.25 -0.14 0.00 -1.47 0.00 0.00 33.84 31.40 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 -2.57 0.01 0.64 7.34 2.20 -1.10 -5.04 119.74 121.21 2q78 s LYS 74 Ca -0.12 0.01 -0.17 0.00 -0.36 0.00 0.00 55.97 55.33 2q78 s LYS 74 Cb 0.07 -0.00 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 2q78 s LYS 74 CO 0.80 -0.01 1.18 0.00 -0.36 0.00 0.00 175.35 176.96 2q78 s ALA 75 N 0.03 2.42 -0.07 3.13 0.00 -1.26 -4.77 121.76 121.24 2q78 s ALA 75 Ca -0.00 0.84 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 2q78 s ALA 75 Cb -0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2q78 s ALA 75 CO -0.00 -1.36 0.20 0.54 0.00 0.00 0.00 175.76 175.14 2q78 s VAL 76 N -1.91 0.01 0.32 0.00 0.11 -1.26 -5.06 120.40 112.61 2q78 s VAL 76 Ca 0.73 -0.09 -0.18 0.00 -2.93 0.00 0.00 61.98 59.52 2q78 s VAL 76 Cb -0.27 -0.32 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 2q78 s VAL 76 CO 0.38 -0.05 0.79 -2.16 -3.33 0.00 0.00 175.10 170.74 2q78 s PRO 77 N -0.09 4.15 1.00 1.54 0.05 -1.26 -1.14 135.00 139.25 2q78 s PRO 77 Ca -0.02 0.86 -0.11 0.00 0.05 0.00 0.00 61.00 61.78 2q78 s PRO 77 Cb -0.02 -2.51 0.19 0.00 0.05 0.00 0.00 34.50 32.21 2q78 s PRO 77 CO 0.01 0.18 1.10 0.25 0.05 0.00 0.00 177.00 178.59 2q78 n THR 78 N -0.10 0.00 -1.27 1.26 -2.24 0.16 -3.30 114.28 108.79 2q78 n THR 78 Ca 0.03 -0.14 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 2q78 n THR 78 Cb 0.53 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.75 2q78 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q78 n GLY 79 N 0.51 0.54 3.40 3.38 0.00 0.11 -5.00 105.19 108.13 2q78 n GLY 79 Ca 0.09 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.11 2.31 -0.01 2.61 2.01 -1.21 -4.96 115.64 114.27 2q78 s THR 80 Ca 0.00 -1.69 -0.02 0.00 0.31 0.00 0.00 61.69 60.29 2q78 s THR 80 Cb 0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2q78 s THR 80 CO 0.00 0.12 0.13 -0.60 -0.69 0.00 0.00 174.62 173.58 2q78 s ARG 81 N -1.98 3.26 0.03 4.92 3.52 -1.26 0.16 118.95 127.61 2q78 s ARG 81 Ca 0.14 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2q78 s ARG 81 Cb -0.10 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 2q78 s ARG 81 CO 0.06 0.66 -0.02 0.14 -0.81 0.00 0.00 175.30 175.33 2q78 s VAL 82 N -1.26 0.16 -0.30 7.11 -7.23 0.10 -4.78 120.40 114.20 2q78 s VAL 82 Ca 0.25 -1.32 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 2q78 s VAL 82 Cb -0.12 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2q78 s VAL 82 CO 0.16 -0.73 0.40 0.00 -0.31 0.00 0.00 175.10 174.62 2q78 s ALA 83 N -2.63 3.53 -0.24 1.32 0.00 -1.26 -0.86 121.76 121.62 2q78 s ALA 83 Ca -0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 2q78 s ALA 83 Cb -0.01 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2q78 s ALA 83 CO -0.05 -0.87 -0.04 0.08 0.00 0.00 0.00 175.76 174.87 2q78 s VAL 84 N 2.13 3.16 -0.01 0.00 1.01 -0.12 -4.32 120.40 122.25 2q78 s VAL 84 Ca 0.15 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2q78 s VAL 84 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2q78 s VAL 84 CO 0.11 0.29 -0.24 -0.83 0.00 0.00 0.00 175.10 174.43 2q78 s GLY 85 N 1.41 1.34 0.07 4.51 0.00 -0.37 -0.66 107.32 113.61 2q78 s GLY 85 Ca 0.03 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.67 2q78 s GLY 85 CO -0.04 -0.95 -0.13 -1.34 0.00 0.00 0.00 173.10 170.65 2q78 s VAL 86 N -0.67 0.98 -0.09 1.40 -7.23 -0.12 -0.63 120.40 114.04 2q78 s VAL 86 Ca 0.11 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.94 2q78 s VAL 86 Cb -0.10 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.88 2q78 s VAL 86 CO -0.00 -0.28 0.22 -0.60 -0.31 0.00 0.00 175.10 174.13 2q78 s ARG 87 N -1.77 0.21 -0.30 4.82 3.52 -0.05 -1.57 118.95 123.82 2q78 s ARG 87 Ca -0.03 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.67 2q78 s ARG 87 Cb -0.10 -0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.29 2q78 s ARG 87 CO 0.02 -0.10 1.20 0.08 -0.81 0.00 0.00 175.30 175.69 2q78 s VAL 88 N 0.69 4.31 -0.80 7.11 1.01 -0.52 -1.19 120.40 131.01 2q78 s VAL 88 Ca -0.05 1.50 0.18 0.00 0.00 0.00 0.00 61.98 63.61 2q78 s VAL 88 Cb -0.06 -4.26 -0.20 0.00 0.00 0.00 0.00 36.38 31.86 2q78 s VAL 88 CO -0.04 -0.45 0.74 1.33 0.00 0.00 0.00 175.10 176.68 2q78 n VAL 89 N 5.99 0.00 -3.63 2.92 0.24 0.25 -1.08 118.33 123.03 2q78 n VAL 89 Ca 0.13 -0.10 -0.06 0.00 -2.04 0.00 0.00 64.34 62.28 2q78 n VAL 89 Cb 0.47 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.72 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 -2.77 0.03 -0.05 7.63 0.00 -1.21 -4.91 107.32 106.03 2q78 s GLY 90 Ca 0.06 2.82 0.03 0.00 0.00 0.00 0.00 44.72 47.63 2q78 s GLY 90 CO 0.74 1.52 -0.12 0.14 0.00 0.00 0.00 173.10 175.38 2q78 s VAL 91 N -0.42 1.06 -0.14 1.40 1.01 -1.26 -0.47 120.40 121.58 2q78 s VAL 91 Ca 0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2q78 s VAL 91 Cb -0.03 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.44 2q78 s VAL 91 CO -0.08 0.33 0.03 -0.69 0.00 0.00 0.00 175.10 174.69 2q78 s VAL 92 N 0.48 0.39 0.00 2.92 1.01 -0.13 -4.96 120.40 120.11 2q78 s VAL 92 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2q78 s VAL 92 Cb -0.13 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2q78 s VAL 92 CO 0.03 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2q78 n GLY 93 N 5.12 3.58 1.08 4.51 0.00 -1.26 -1.28 105.19 116.94 2q78 n GLY 93 Ca -0.08 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 5.66 3.12 -4.65 1.61 6.94 -1.26 -4.42 115.26 122.27 2q78 n ASN 94 Ca 0.00 -2.00 -0.37 0.00 -0.02 0.00 0.00 54.58 52.19 2q78 n ASN 94 Cb 0.00 -0.39 -0.09 0.00 -2.36 0.00 0.00 39.78 36.94 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 -1.23 4.09 -0.18 -3.83 1.81 -0.40 -0.26 118.95 118.94 2q78 s ARG 95 Ca 0.39 -0.09 -0.00 0.00 -1.72 0.00 0.00 55.73 54.31 2q78 s ARG 95 Cb 0.20 -3.56 0.01 0.00 -0.45 0.00 0.00 34.95 31.15 2q78 s ARG 95 CO 0.27 -0.03 -0.15 0.08 -0.68 0.00 0.00 175.30 174.79 2q78 s VAL 96 N 1.31 2.50 -0.10 3.52 1.01 0.15 -0.96 120.40 127.83 2q78 s VAL 96 Ca 0.12 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 2q78 s VAL 96 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2q78 s VAL 96 CO 0.07 0.51 0.47 -0.75 0.00 0.00 0.00 175.10 175.40 2q78 s LYS 97 N 1.25 4.30 0.02 2.72 2.20 0.38 -1.27 119.74 129.34 2q78 s LYS 97 Ca 0.03 0.46 0.08 0.00 -0.36 0.00 0.00 55.97 56.17 2q78 s LYS 97 Cb -0.14 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2q78 s LYS 97 CO -0.08 0.22 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.84 2q78 s PHE 98 N 0.43 2.44 -0.11 4.03 0.40 0.12 -0.58 117.98 124.71 2q78 s PHE 98 Ca 0.26 -0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 56.20 2q78 s PHE 98 Cb -0.15 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2q78 s PHE 98 CO 0.11 0.13 0.10 1.03 0.70 0.00 0.00 175.22 177.29 2q78 s ARG 99 N -1.09 3.29 0.04 0.44 0.52 -0.33 -1.04 118.95 120.78 2q78 s ARG 99 Ca 0.12 -0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2q78 s ARG 99 Cb -0.10 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 2q78 s ARG 99 CO 0.02 0.75 -0.06 0.20 0.02 0.00 0.00 175.30 176.24 2q78 s GLY 100 N -1.00 0.44 0.00 -3.53 0.00 0.83 -0.87 107.32 103.20 2q78 s GLY 100 Ca 0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 2q78 s GLY 100 CO 0.04 -0.88 0.01 -1.50 0.00 0.00 0.00 173.10 170.76 2q78 s ILE 101 N -1.87 0.03 0.44 0.90 2.07 0.20 -0.11 121.20 122.85 2q78 s ILE 101 Ca -0.08 -0.24 0.06 0.00 -1.41 0.00 0.00 60.65 58.98 2q78 s ILE 101 Cb -0.07 -0.10 -0.05 0.00 0.13 0.00 0.00 42.46 42.37 2q78 s ILE 101 CO -0.02 -0.13 0.07 -0.69 -1.91 0.00 0.00 174.94 172.26 2q78 s VAL 102 N -0.38 1.87 -0.40 4.00 1.01 0.75 -1.24 120.40 126.01 2q78 s VAL 102 Ca -0.04 -1.90 0.07 0.00 0.00 0.00 0.00 61.98 60.10 2q78 s VAL 102 Cb -0.03 -2.77 0.17 0.00 0.00 0.00 0.00 36.38 33.76 2q78 s VAL 102 CO -0.00 0.00 0.55 -0.55 0.00 0.00 0.00 175.10 175.10 2q78 s SER 104 N -3.83 -0.74 1.52 3.32 0.15 0.99 -0.18 113.70 114.94 2q78 s SER 104 Ca 0.30 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2q78 s SER 104 Cb 0.06 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 2q78 s SER 104 CO 0.16 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2q78 n GLY 105 N 4.38 2.88 0.59 9.45 0.00 -1.26 -1.88 105.19 119.34 2q78 n GLY 105 Ca 0.11 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 9.54 1.80 -4.57 1.61 5.68 -1.26 -4.89 116.55 124.45 2q78 n ASP 106 Ca 0.00 -1.65 -0.39 0.00 -0.50 0.00 0.00 54.79 52.25 2q78 n ASP 106 Cb 0.00 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 39.82 2q78 n ASP 106 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2q78 s GLU 107 N -1.89 3.81 0.03 0.11 0.41 -0.79 -5.05 118.70 115.33 2q78 s GLU 107 Ca 0.35 -0.35 -0.30 0.00 -0.41 0.00 0.00 54.97 54.26 2q78 s GLU 107 Cb 0.20 -3.71 -0.08 0.00 -1.78 0.00 0.00 34.13 28.76 2q78 s GLU 107 CO 0.30 -0.30 1.68 0.21 -0.49 0.00 0.00 175.26 176.66 2q78 s LYS 108 N 1.83 4.19 -0.26 1.61 2.20 -1.26 -0.01 119.74 128.05 2q78 s LYS 108 Ca 0.09 2.31 -0.10 0.00 -0.36 0.00 0.00 55.97 57.91 2q78 s LYS 108 Cb -0.16 -3.75 -0.15 0.00 -1.51 0.00 0.00 37.83 32.26 2q78 s LYS 108 CO 0.11 -0.78 -0.22 -0.89 -0.36 0.00 0.00 175.35 173.20 2q78 n ILE 109 N 5.00 1.53 -3.72 5.43 2.08 0.74 -4.20 119.36 126.23 2q78 n ILE 109 Ca 0.17 -0.42 -0.13 0.00 0.56 0.00 0.00 62.75 62.93 2q78 n ILE 109 Cb 0.41 -1.76 -0.10 0.00 -0.75 0.00 0.00 39.64 37.44 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 -7.25 0.21 0.10 1.39 0.20 -1.10 -1.13 118.68 111.11 2q78 s LEU 110 Ca -0.36 0.92 0.09 0.00 0.69 0.00 0.00 54.13 55.47 2q78 s LEU 110 Cb 0.12 1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 47.39 2q78 s LEU 110 CO 0.55 -0.16 -0.24 -1.83 -0.29 0.00 0.00 176.35 174.37 2q78 s GLU 111 N 0.39 1.34 0.05 1.98 -1.05 -0.66 -0.18 118.70 120.57 2q78 s GLU 111 Ca -0.01 -1.22 -0.04 0.00 -0.15 0.00 0.00 54.97 53.55 2q78 s GLU 111 Cb -0.04 -1.68 -0.02 0.00 -0.44 0.00 0.00 34.13 31.95 2q78 s GLU 111 CO -0.01 0.40 0.06 0.00 0.95 0.00 0.00 175.26 176.66 2q78 s ALA 112 N -1.05 0.15 -0.04 -0.84 0.00 0.84 -0.92 121.76 119.91 2q78 s ALA 112 Ca 0.10 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2q78 s ALA 112 Cb -0.10 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2q78 s ALA 112 CO 0.05 -0.38 0.08 -2.00 0.00 0.00 0.00 175.76 173.51 2q78 s GLU 113 N -3.39 -0.01 0.23 0.00 2.12 -0.38 -0.12 118.70 117.15 2q78 s GLU 113 Ca 0.02 0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 2q78 s GLU 113 Cb 0.04 -0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.14 2q78 s GLU 113 CO -0.08 -0.22 0.46 -0.59 -0.54 0.00 0.00 175.26 174.29 2q78 s PHE 114 N 1.51 0.28 -0.06 5.30 -0.71 -0.20 -0.57 117.98 123.52 2q78 s PHE 114 Ca -0.04 -0.64 0.02 0.00 -1.04 0.00 0.00 56.93 55.23 2q78 s PHE 114 Cb -0.12 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.90 2q78 s PHE 114 CO -0.04 -0.95 -0.13 0.08 -1.34 0.00 0.00 175.22 172.85 2q78 s VAL 115 N -3.98 1.16 0.07 -2.49 1.01 0.13 0.14 120.40 116.43 2q78 s VAL 115 Ca 0.19 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2q78 s VAL 115 Cb -0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2q78 s VAL 115 CO 0.06 0.36 0.03 -0.13 0.00 0.00 0.00 175.10 175.42 2q78 s ARG 116 N 0.63 2.73 -0.21 2.72 0.52 -0.39 -1.08 118.95 123.86 2q78 s ARG 116 Ca -0.14 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.28 2q78 s ARG 116 Cb -0.16 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 2q78 s ARG 116 CO 0.04 0.57 0.00 0.00 0.02 0.00 0.00 175.30 175.93 2q78 s ALA 117 N -1.30 3.01 -0.18 2.13 0.00 0.37 -0.67 121.76 125.12 2q78 s ALA 117 Ca 0.26 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 2q78 s ALA 117 Cb -0.12 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2q78 s ALA 117 CO 0.18 -0.26 0.73 0.42 0.00 0.00 0.00 175.76 176.83 2q78 s ILE 118 N 1.19 4.95 -0.05 0.00 1.01 0.64 -1.57 121.20 127.37 2q78 s ILE 118 Ca 0.03 1.40 -0.06 0.00 0.00 0.00 0.00 60.65 62.02 2q78 s ILE 118 Cb -0.14 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.30 2q78 s ILE 118 CO 0.01 0.07 0.16 -0.69 0.00 0.00 0.00 174.94 174.49 2q78 s VAL 119 N 2.02 0.01 0.43 2.92 1.01 -0.65 -4.84 120.40 121.30 2q78 s VAL 119 Ca 0.33 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 2q78 s VAL 119 Cb -0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 2q78 s VAL 119 CO 0.11 -0.05 1.39 -2.65 0.00 0.00 0.00 175.10 173.90 2q78 n PRO 120 N 2.79 2.21 -0.33 2.72 -0.02 -1.26 -0.13 135.00 140.98 2q78 n PRO 120 Ca -0.14 0.78 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2q78 n PRO 120 Cb 0.58 -2.55 0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 2.33 1.17 -0.58 -0.52 3.08 -1.41 -2.26 114.38 116.20 2q78 h ARG 121 Ca -0.50 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.50 2q78 h ARG 121 Cb 1.27 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 2q78 h ARG 121 CO 0.61 0.78 0.38 1.49 -1.07 0.00 0.00 179.97 182.16 2q78 h GLU 122 N 1.21 0.72 -0.43 0.04 4.57 -1.91 0.14 114.58 118.92 2q78 h GLU 122 Ca 0.33 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.42 2q78 h GLU 122 Cb -0.13 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.28 2q78 h GLU 122 CO -0.07 0.48 0.09 -0.22 -1.18 0.00 0.00 179.01 178.10 2q78 h LYS 123 N 0.74 0.70 -0.44 1.92 1.63 -1.79 0.32 116.57 119.65 2q78 h LYS 123 Ca 0.22 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2q78 h LYS 123 Cb -0.02 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 2q78 h LYS 123 CO -0.05 0.72 0.12 1.25 -3.45 0.00 0.00 179.45 178.04 2q78 h LEU 124 N 0.56 0.66 0.40 5.20 5.85 -1.11 -1.96 115.31 124.92 2q78 h LEU 124 Ca 0.13 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2q78 h LEU 124 Cb 0.35 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2q78 h LEU 124 CO 0.00 0.70 -0.36 0.03 -0.34 0.00 0.00 178.44 178.48 2q78 h ARG 125 N 0.58 -0.75 -0.42 1.25 3.08 -0.34 -1.86 114.38 115.92 2q78 h ARG 125 Ca 0.14 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.33 2q78 h ARG 125 Cb 0.29 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 2q78 h ARG 125 CO -0.00 -0.50 -0.24 0.00 -1.07 0.00 0.00 179.97 178.16 2q78 h ARG 126 N -0.78 -0.15 -0.73 0.04 3.08 -0.31 0.97 114.38 116.50 2q78 h ARG 126 Ca -0.03 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.19 2q78 h ARG 126 Cb 0.69 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.66 2q78 h ARG 126 CO -0.04 -0.10 0.14 -0.07 -1.07 0.00 0.00 179.97 178.83 2q78 h LEU 127 N -0.16 -0.05 -1.39 3.04 3.38 -1.27 -2.04 115.31 116.81 2q78 h LEU 127 Ca 0.20 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.34 2q78 h LEU 127 Cb 0.47 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2q78 h LEU 127 CO -0.51 -0.06 0.42 0.00 0.09 0.00 0.00 178.44 178.37 2q78 h ALA 128 N 1.62 1.58 -0.32 1.53 0.00 0.03 -0.77 119.26 122.93 2q78 h ALA 128 Ca 0.41 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.36 2q78 h ALA 128 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2q78 h ALA 128 CO -0.53 0.38 0.22 1.37 0.00 0.00 0.00 179.25 180.69 2q78 h LEU 129 N 0.83 0.06 0.00 0.00 -0.00 -0.57 -3.51 115.31 112.12 2q78 h LEU 129 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2q78 h LEU 129 Cb -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2q78 h LEU 129 CO -0.06 0.04 0.00 -1.84 -0.00 0.00 0.00 178.44 176.58