#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl h LYS 2 N 0.00 0.06 -6.53 3.23 3.64 -2.11 -3.41 116.57 111.45 1snl h LYS 2 Ca 0.00 -0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.84 1snl h LYS 2 Cb 0.00 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1snl h LYS 2 CO 0.00 0.14 0.81 -1.21 -2.27 0.00 0.00 179.45 176.92 1snl s GLU 3 N -4.89 4.27 -0.29 1.90 2.02 -1.26 -4.98 118.70 115.48 1snl s GLU 3 Ca -0.05 2.17 -0.20 0.00 0.02 0.00 0.00 54.97 56.91 1snl s GLU 3 Cb 0.16 -3.30 0.14 0.00 0.10 0.00 0.00 34.13 31.24 1snl s GLU 3 CO 0.69 -0.53 1.01 0.54 0.02 0.00 0.00 175.26 176.99 1snl s VAL 4 N 1.42 0.00 -1.36 2.63 0.11 -1.26 -5.06 120.40 116.89 1snl s VAL 4 Ca 0.67 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.63 1snl s VAL 4 Cb -0.38 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.57 1snl s VAL 4 CO 0.30 0.00 2.19 -2.67 -3.33 0.00 0.00 175.10 171.59 1snl n TRP 5 N 3.05 2.85 -3.97 1.54 4.27 -1.26 -4.95 117.44 118.97 1snl n TRP 5 Ca -0.16 -2.86 -0.30 0.00 -3.89 0.00 0.00 57.50 50.29 1snl n TRP 5 Cb 0.57 -2.06 -0.05 0.00 -1.36 0.00 0.00 31.31 28.42 1snl n TRP 5 CO 0.00 0.00 0.00 -2.00 -2.29 0.00 0.00 177.69 173.40 1snl s GLU 6 N 0.50 3.25 0.34 -2.67 2.12 -1.26 -4.98 118.70 116.01 1snl s GLU 6 Ca 0.48 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1snl s GLU 6 Cb 0.14 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1snl s GLU 6 CO -0.04 0.58 0.00 -1.91 -0.54 0.00 0.00 175.26 173.35 1snl n GLU 7 N 0.22 -2.19 -2.59 4.30 4.07 -1.26 -4.92 120.64 118.28 1snl n GLU 7 Ca -0.06 1.64 -0.07 0.00 -0.06 0.00 0.00 57.16 58.60 1snl n GLU 7 Cb 0.52 -2.61 0.01 0.00 -0.06 0.00 0.00 31.44 29.30 1snl n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1snl n LEU 8 N -3.76 -2.04 0.20 4.31 7.94 -1.26 -4.92 117.00 117.47 1snl n LEU 8 Ca -0.03 -0.11 0.08 0.00 -1.11 0.00 0.00 56.01 54.84 1snl n LEU 8 Cb 0.47 -1.24 0.35 0.00 0.53 0.00 0.00 43.42 43.54 1snl n LEU 8 CO 0.02 0.11 0.72 -2.24 -1.11 0.00 0.00 177.39 174.89 1snl h ASP 9 N -0.53 0.00 0.00 1.96 3.04 -1.96 -3.36 116.42 115.57 1snl h ASP 9 Ca -0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 1snl h ASP 9 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1snl h ASP 9 CO 0.17 0.30 0.00 0.61 -2.04 0.00 0.00 179.24 178.28 1snl n GLY 10 N 0.36 -0.01 3.58 7.15 0.00 -1.26 -4.36 105.19 110.64 1snl n GLY 10 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1snl n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snl s LEU 11 N -2.85 2.64 0.63 0.99 2.01 -1.26 -4.91 118.68 115.94 1snl s LEU 11 Ca 0.00 -1.08 -0.16 0.00 0.01 0.00 0.00 54.13 52.90 1snl s LEU 11 Cb 0.00 -2.59 -0.01 0.00 0.01 0.00 0.00 46.19 43.60 1snl s LEU 11 CO 0.00 -4.11 1.13 1.51 1.01 0.00 0.00 176.35 175.89 1snl s ASP 12 N 8.10 5.17 1.24 2.29 1.47 -1.26 -4.97 116.67 128.71 1snl s ASP 12 Ca 0.78 2.10 -0.15 0.00 1.18 0.00 0.00 52.55 56.46 1snl s ASP 12 Cb -0.04 -2.56 0.31 0.00 -0.34 0.00 0.00 42.92 40.28 1snl s ASP 12 CO 0.15 -1.59 1.00 -2.16 0.68 0.00 0.00 175.17 173.25 1snl s PRO 13 N -3.84 -1.52 -0.97 2.11 0.04 -1.26 -4.95 135.00 124.62 1snl s PRO 13 Ca 0.70 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 1snl s PRO 13 Cb -0.23 -1.50 0.24 0.00 0.04 0.00 0.00 34.50 33.05 1snl s PRO 13 CO 0.38 -4.07 0.90 -0.80 0.04 0.00 0.00 177.00 173.46 1snl s ASN 14 N -2.69 6.63 0.00 6.66 0.01 -1.26 -4.61 114.94 119.68 1snl s ASN 14 Ca 0.69 -3.49 0.00 0.00 -0.71 0.00 0.00 52.86 49.35 1snl s ASN 14 Cb -0.22 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.37 1snl s ASN 14 CO 0.63 -0.29 0.01 -2.11 -1.51 0.00 0.00 177.10 173.84 1snl n ARG 15 N 2.76 0.34 0.00 -0.60 1.85 -1.26 -5.02 116.66 114.74 1snl n ARG 15 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1snl n ARG 15 Cb 0.39 -0.21 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 1snl n ARG 15 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1snl n PHE 16 N -0.05 0.00 -3.73 2.89 3.72 -1.26 -4.88 117.46 114.15 1snl n PHE 16 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1snl n PHE 16 Cb 0.08 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1snl n PHE 16 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1snl n ASN 17 N 0.00 -5.23 0.29 4.37 5.03 -1.26 -4.81 115.26 113.65 1snl n ASN 17 Ca 0.00 -0.94 0.18 0.00 0.87 0.00 0.00 54.58 54.69 1snl n ASN 17 Cb 0.00 -2.61 0.77 0.00 -1.02 0.00 0.00 39.78 36.92 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1snl h PRO 18 N -1.14 0.00 -0.03 3.52 0.13 -2.01 -3.21 132.00 129.26 1snl h PRO 18 Ca -0.58 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1snl h PRO 18 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1snl h PRO 18 CO 0.42 0.01 -0.01 -0.22 -0.23 0.00 0.00 178.00 177.97 1snl h LYS 19 N 0.00 0.06 -0.66 0.86 3.64 -2.01 -2.94 116.57 115.52 1snl h LYS 19 Ca -0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1snl h LYS 19 Cb 0.43 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1snl h LYS 19 CO 0.00 0.46 0.22 1.15 -2.27 0.00 0.00 179.45 179.00 1snl h THR 20 N -0.34 1.25 -0.98 1.00 2.02 -1.92 -2.42 112.91 111.51 1snl h THR 20 Ca 0.01 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.43 1snl h THR 20 Cb 0.44 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1snl h THR 20 CO 0.00 0.33 0.63 0.15 0.37 0.00 0.00 175.52 177.00 1snl h PHE 21 N 0.96 1.13 -0.32 3.16 3.04 -1.61 0.31 116.94 123.60 1snl h PHE 21 Ca 0.21 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 1snl h PHE 21 Cb 0.28 -0.37 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 1snl h PHE 21 CO 0.02 0.52 0.02 0.35 -2.02 0.00 0.00 178.31 177.21 1snl h PHE 22 N 1.05 0.49 0.51 0.41 3.04 -1.25 -2.58 116.94 118.61 1snl h PHE 22 Ca 0.45 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.34 1snl h PHE 22 Cb 0.33 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1snl h PHE 22 CO -0.00 0.47 -0.24 0.82 -2.02 0.00 0.00 178.31 177.34 1snl h ILE 23 N 0.47 0.02 -1.06 1.41 2.04 -0.76 -2.45 117.51 117.19 1snl h ILE 23 Ca 0.10 -0.51 0.33 0.00 1.00 0.00 0.00 64.86 65.78 1snl h ILE 23 Cb 0.27 0.04 -0.14 0.00 -0.74 0.00 0.00 36.82 36.25 1snl h ILE 23 CO 0.01 0.01 0.63 0.25 0.00 0.00 0.00 178.15 179.04 1snl h LEU 24 N -1.17 0.48 -0.51 1.44 5.85 -1.32 1.87 115.31 121.94 1snl h LEU 24 Ca -0.07 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1snl h LEU 24 Cb 0.53 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1snl h LEU 24 CO 0.11 -0.10 0.00 0.45 -0.34 0.00 0.00 178.44 178.57 1snl h HIS 25 N 0.31 0.00 -1.39 1.25 3.86 -1.43 -3.39 115.15 114.36 1snl h HIS 25 Ca 0.72 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 59.35 1snl h HIS 25 Cb 1.76 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 30.14 1snl h HIS 25 CO -0.01 0.00 1.40 -0.51 0.86 0.00 0.00 177.93 179.67 1snl s ASP 26 N -5.07 6.42 -0.02 2.45 1.01 0.64 -4.81 116.67 117.29 1snl s ASP 26 Ca 0.06 -1.23 -0.21 0.00 0.71 0.00 0.00 52.55 51.88 1snl s ASP 26 Cb 0.09 -2.57 -0.24 0.00 1.01 0.00 0.00 42.92 41.21 1snl s ASP 26 CO 0.55 -1.58 1.06 0.40 0.21 0.00 0.00 175.17 175.80 1snl h ILE 27 N 6.63 1.47 -0.44 0.77 2.04 -1.79 -3.27 117.51 122.93 1snl h ILE 27 Ca 0.09 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1snl h ILE 27 Cb 1.02 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1snl h ILE 27 CO 1.40 0.60 0.00 -3.20 0.00 0.00 0.00 178.15 176.94 1snl n ASN 28 N -4.28 2.68 -3.79 1.72 4.05 -1.26 -4.96 115.26 109.41 1snl n ASN 28 Ca -0.11 -1.95 -0.32 0.00 0.45 0.00 0.00 54.58 52.66 1snl n ASN 28 Cb 0.64 -0.29 0.02 0.00 1.23 0.00 0.00 39.78 41.38 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1snl n SER 29 N 0.97 -5.02 -0.91 1.20 3.41 -1.23 -4.85 113.62 107.18 1snl n SER 29 Ca 0.17 -1.01 0.09 0.00 -0.26 0.00 0.00 58.87 57.87 1snl n SER 29 Cb 0.44 -2.44 0.17 0.00 -0.26 0.00 0.00 64.21 62.12 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1snl n ASP 30 N -2.41 3.05 0.00 4.04 2.03 -1.26 -4.92 116.55 117.08 1snl n ASP 30 Ca -0.16 -1.89 0.00 0.00 0.52 0.00 0.00 54.79 53.26 1snl n ASP 30 Cb 0.61 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 31 N 1.13 0.55 3.16 0.27 0.00 -1.26 -4.93 105.19 104.11 1snl n GLY 31 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -2.64 0.19 -0.36 1.61 -7.23 -1.26 -3.85 120.40 106.86 1snl s VAL 32 Ca 0.00 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 1snl s VAL 32 Cb 0.00 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 34.91 1snl s VAL 32 CO 0.00 -0.46 0.16 -0.22 -0.31 0.00 0.00 175.10 174.27 1snl s LEU 33 N -3.07 4.53 0.38 1.32 2.96 -0.58 -4.96 118.68 119.26 1snl s LEU 33 Ca 0.24 -1.06 -0.22 0.00 -0.22 0.00 0.00 54.13 52.88 1snl s LEU 33 Cb 0.07 -1.95 -0.10 0.00 0.50 0.00 0.00 46.19 44.71 1snl s LEU 33 CO 0.02 -0.36 0.93 -1.81 -1.32 0.00 0.00 176.35 173.81 1snl s ASP 34 N 1.49 7.07 0.33 3.68 1.01 -1.26 -3.17 116.67 125.81 1snl s ASP 34 Ca 0.00 1.71 0.08 0.00 0.71 0.00 0.00 52.55 55.05 1snl s ASP 34 Cb -0.19 -2.54 0.79 0.00 1.01 0.00 0.00 42.92 41.99 1snl s ASP 34 CO 0.05 -0.24 1.82 -0.08 0.21 0.00 0.00 175.17 176.93 1snl h GLU 35 N 2.42 0.70 -0.32 8.23 4.81 -1.99 0.39 114.58 128.82 1snl h GLU 35 Ca -0.48 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 1snl h GLU 35 Cb 1.18 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1snl h GLU 35 CO 0.63 0.46 -0.02 1.96 -0.73 0.00 0.00 179.01 181.31 1snl h GLN 36 N 0.72 0.49 -0.06 1.92 1.08 -1.94 1.23 115.11 118.55 1snl h GLN 36 Ca 0.53 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.45 1snl h GLN 36 Cb 0.87 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 1snl h GLN 36 CO -0.29 0.53 -0.72 0.93 -0.95 0.00 0.00 178.83 178.33 1snl h GLU 37 N 0.47 0.31 0.03 1.46 4.39 -0.69 0.06 114.58 120.61 1snl h GLU 37 Ca 0.10 -0.25 -0.25 0.00 0.34 0.00 0.00 59.36 59.30 1snl h GLU 37 Cb 0.34 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1snl h GLU 37 CO 0.01 0.90 -1.03 1.25 -1.16 0.00 0.00 179.01 178.98 1snl h LEU 38 N 0.21 0.66 -0.01 1.33 5.85 0.02 -1.91 115.31 121.47 1snl h LEU 38 Ca -0.03 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1snl h LEU 38 Cb 1.28 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1snl h LEU 38 CO 0.12 1.36 -0.02 -0.33 -0.34 0.00 0.00 178.44 179.23 1snl h GLU 39 N 0.26 0.02 0.03 1.25 5.08 0.16 -2.88 114.58 118.51 1snl h GLU 39 Ca -0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1snl h GLU 39 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1snl h GLU 39 CO 0.19 0.65 -0.01 0.00 -1.00 0.00 0.00 179.01 178.83 1snl h ALA 40 N 0.38 -0.04 -0.23 3.43 0.00 -1.09 -1.79 119.26 119.91 1snl h ALA 40 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1snl h ALA 40 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1snl h ALA 40 CO 0.00 -0.34 0.24 1.25 0.00 0.00 0.00 179.25 180.40 1snl h LEU 41 N -0.40 0.00 0.02 0.00 5.85 -1.46 0.66 115.31 119.98 1snl h LEU 41 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1snl h LEU 41 Cb 0.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1snl h LEU 41 CO 0.01 0.00 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.36 1snl h PHE 42 N 0.00 0.06 -0.72 1.25 -1.00 -1.28 -2.55 116.94 112.70 1snl h PHE 42 Ca 0.11 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1snl h PHE 42 Cb 0.59 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 1snl h PHE 42 CO 0.00 1.19 0.28 1.15 -1.61 0.00 0.00 178.31 179.32 1snl h THR 43 N -0.92 1.25 -0.02 -1.55 2.02 -0.82 -2.62 112.91 110.26 1snl h THR 43 Ca -0.12 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1snl h THR 43 Cb 1.17 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1snl h THR 43 CO -0.05 0.32 -0.07 0.50 0.37 0.00 0.00 175.52 176.59 1snl h LYS 44 N 1.03 0.08 -0.35 6.66 3.64 -1.03 -2.44 116.57 124.16 1snl h LYS 44 Ca 0.24 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 1snl h LYS 44 Cb 0.23 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1snl h LYS 44 CO -0.02 0.73 0.35 1.49 -2.27 0.00 0.00 179.45 179.73 1snl h GLU 45 N -0.55 0.00 0.15 1.90 4.81 -1.45 0.40 114.58 119.84 1snl h GLU 45 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 1snl h GLU 45 Cb 0.74 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1snl h GLU 45 CO 0.02 0.00 -1.32 1.25 -0.73 0.00 0.00 179.01 178.22 1snl h LEU 46 N 0.00 0.51 0.00 1.64 5.85 -1.36 -3.12 115.31 118.83 1snl h LEU 46 Ca 0.17 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1snl h LEU 46 Cb 0.86 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1snl h LEU 46 CO -0.00 1.44 0.00 -1.84 -0.34 0.00 0.00 178.44 177.70 1snl n GLU 47 N -3.56 0.35 0.00 1.25 0.28 0.12 -1.00 120.64 118.09 1snl n GLU 47 Ca -0.11 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1snl n GLU 47 Cb 1.04 -1.25 -0.02 0.00 1.43 0.00 0.00 31.44 32.65 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1snl n LYS 48 N -0.75 3.14 -0.07 3.44 5.02 -1.17 -4.73 118.16 123.04 1snl n LYS 48 Ca 0.04 -0.32 -0.07 0.00 -2.02 0.00 0.00 58.31 55.95 1snl n LYS 48 Cb 0.02 -0.96 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -0.66 1.29 0.00 -0.18 0.31 -0.17 -4.96 118.33 113.96 1snl n VAL 49 Ca 0.03 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1snl n VAL 49 Cb 0.15 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1snl n TYR 50 N -4.23 0.00 -2.72 3.52 4.01 -1.17 -5.03 117.16 111.53 1snl n TYR 50 Ca -0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.56 1snl n TYR 50 Cb 0.41 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.51 1snl n TYR 50 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1snl n ASP 51 N 0.00 -2.23 -4.15 7.72 5.75 -1.26 -5.03 116.55 117.35 1snl n ASP 51 Ca 0.00 -2.84 -0.29 0.00 -0.01 0.00 0.00 54.79 51.65 1snl n ASP 51 Cb 0.00 1.50 0.25 0.00 -1.03 0.00 0.00 41.12 41.84 1snl n ASP 51 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1snl s PRO 52 N 0.41 -1.42 -0.32 0.11 0.04 -1.26 -5.00 135.00 127.55 1snl s PRO 52 Ca 0.28 0.47 0.18 0.00 0.04 0.00 0.00 61.00 61.97 1snl s PRO 52 Cb 0.24 -1.53 0.46 0.00 0.04 0.00 0.00 34.50 33.72 1snl s PRO 52 CO -0.17 -3.96 0.96 1.63 0.04 0.00 0.00 177.00 175.51 1snl n LYS 53 N -5.03 1.27 -3.84 4.56 5.02 -1.26 -4.95 118.16 113.93 1snl n LYS 53 Ca 0.07 -3.32 -0.24 0.00 -2.02 0.00 0.00 58.31 52.79 1snl n LYS 53 Cb 0.57 -1.30 0.01 0.00 -0.02 0.00 0.00 35.03 34.28 1snl n LYS 53 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1snl n ASN 54 N -0.10 -1.27 -4.68 4.39 5.03 -1.26 -4.95 115.26 112.41 1snl n ASN 54 Ca 0.10 -0.90 -0.35 0.00 0.87 0.00 0.00 54.58 54.31 1snl n ASN 54 Cb 0.81 -3.59 -0.09 0.00 -1.02 0.00 0.00 39.78 35.89 1snl n ASN 54 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1snl s GLU 55 N -6.31 3.07 0.00 3.52 2.02 -1.26 -4.98 118.70 114.76 1snl s GLU 55 Ca 0.10 -0.40 0.25 0.00 0.02 0.00 0.00 54.97 54.94 1snl s GLU 55 Cb -0.05 -2.83 1.17 0.00 0.10 0.00 0.00 34.13 32.52 1snl s GLU 55 CO 0.85 0.67 1.81 0.39 0.02 0.00 0.00 175.26 179.00 1snl n GLU 56 N 2.24 0.21 -3.43 1.61 1.02 -1.26 -4.39 120.64 116.64 1snl n GLU 56 Ca -0.19 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.79 1snl n GLU 56 Cb 0.54 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 1snl n GLU 56 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1snl s ASP 57 N -2.75 2.26 0.00 1.62 -4.77 -1.26 -4.90 116.67 106.88 1snl s ASP 57 Ca 0.19 -1.50 0.00 0.00 -3.30 0.00 0.00 52.55 47.94 1snl s ASP 57 Cb 0.16 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 42.09 1snl s ASP 57 CO 0.41 -0.34 0.00 -0.67 0.70 0.00 0.00 175.17 175.27 1snl n ASP 58 N 4.64 0.00 -2.16 2.11 2.03 -1.26 -4.92 116.55 116.99 1snl n ASP 58 Ca 0.05 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.13 1snl n ASP 58 Cb 0.42 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.00 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1snl n MET 59 N -0.08 2.20 -0.08 -0.67 2.81 -1.26 -4.43 117.12 115.61 1snl n MET 59 Ca 0.00 -2.84 -0.15 0.00 -1.81 0.00 0.00 57.70 52.90 1snl n MET 59 Cb 0.00 -2.11 -0.05 0.00 -0.71 0.00 0.00 33.22 30.35 1snl n MET 59 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1snl n ARG 60 N -1.05 0.43 -0.32 0.03 1.74 -1.26 -4.38 116.66 111.85 1snl n ARG 60 Ca 0.56 0.18 0.26 0.00 -0.77 0.00 0.00 57.85 58.08 1snl n ARG 60 Cb 1.61 -1.24 0.48 0.00 -1.02 0.00 0.00 32.46 32.29 1snl n ARG 60 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1snl n GLU 61 N -4.11 -0.07 -0.04 5.56 4.71 -1.26 0.30 120.64 125.73 1snl n GLU 61 Ca -0.26 1.39 0.07 0.00 -0.01 0.00 0.00 57.16 58.36 1snl n GLU 61 Cb 0.59 -2.40 0.35 0.00 -1.01 0.00 0.00 31.44 28.98 1snl n GLU 61 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1snl n MET 62 N -5.30 1.30 0.18 3.49 0.00 -1.26 -4.13 117.12 111.39 1snl n MET 62 Ca 0.32 -0.46 0.03 0.00 0.00 0.00 0.00 57.70 57.60 1snl n MET 62 Cb 1.09 -1.26 0.18 0.00 0.00 0.00 0.00 33.22 33.23 1snl n MET 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1snl h GLU 63 N 0.87 0.00 0.65 3.17 -0.00 0.43 0.15 114.58 119.85 1snl h GLU 63 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1snl h GLU 63 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.95 1snl h GLU 63 CO 0.00 0.00 -0.31 0.93 -0.00 0.00 0.00 179.01 179.63 1snl h GLU 64 N 0.00 -0.85 -0.44 1.06 4.39 -1.78 -1.99 114.58 114.97 1snl h GLU 64 Ca 0.00 0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1snl h GLU 64 Cb 1.10 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1snl h GLU 64 CO 0.00 -0.53 0.05 1.49 -1.16 0.00 0.00 179.01 178.86 1snl h GLU 65 N -1.04 0.69 -0.27 2.33 4.81 -1.06 0.17 114.58 120.22 1snl h GLU 65 Ca -0.09 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1snl h GLU 65 Cb 0.71 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1snl h GLU 65 CO 0.15 0.68 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.01 1snl h ARG 66 N 0.66 0.07 0.00 1.92 2.43 -1.39 -1.17 114.38 116.91 1snl h ARG 66 Ca 0.14 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 1snl h ARG 66 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1snl h ARG 66 CO 0.01 0.05 -0.65 1.37 -1.51 0.00 0.00 179.97 179.24 1snl h LEU 67 N 0.08 0.00 -0.76 3.80 8.10 -1.13 -2.51 115.31 122.90 1snl h LEU 67 Ca 0.13 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.04 1snl h LEU 67 Cb 0.17 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.37 1snl h LEU 67 CO -0.22 0.65 0.03 -0.09 -4.11 0.00 0.00 178.44 174.69 1snl h ARG 68 N 0.00 0.98 0.00 0.17 1.12 -0.27 -0.69 114.38 115.69 1snl h ARG 68 Ca -0.01 -0.28 -0.24 0.00 -1.11 0.00 0.00 59.98 58.34 1snl h ARG 68 Cb 1.44 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 31.25 1snl h ARG 68 CO 0.08 0.94 -1.31 0.52 -3.11 0.00 0.00 179.97 177.09 1snl h MET 69 N 0.90 0.00 -0.17 0.20 0.00 -1.28 -3.04 114.93 111.54 1snl h MET 69 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 59.70 59.67 1snl h MET 69 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.10 1snl h MET 69 CO 0.02 0.71 -0.67 -0.09 0.00 0.00 0.00 176.91 176.89 1snl h ARG 70 N 0.00 0.75 -0.05 1.72 2.43 -1.32 -2.91 114.38 115.01 1snl h ARG 70 Ca -0.14 -0.58 -0.06 0.00 -0.81 0.00 0.00 59.98 58.39 1snl h ARG 70 Cb 1.85 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1snl h ARG 70 CO 0.10 1.20 -0.20 1.49 -1.51 0.00 0.00 179.97 181.05 1snl h GLU 71 N 0.47 0.22 -0.94 0.20 4.81 -1.25 -2.59 114.58 115.50 1snl h GLU 71 Ca -0.03 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1snl h GLU 71 Cb 1.29 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.63 1snl h GLU 71 CO 0.14 0.81 0.58 1.25 -0.73 0.00 0.00 179.01 181.07 1snl h HIS 72 N -0.32 1.06 0.16 0.92 2.76 -1.62 0.18 115.15 118.28 1snl h HIS 72 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1snl h HIS 72 Cb 0.84 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1snl h HIS 72 CO 0.14 0.47 -0.08 0.28 -1.30 0.00 0.00 177.93 177.44 1snl h VAL 73 N 0.98 0.88 0.00 5.26 2.07 -1.56 -2.66 116.25 121.22 1snl h VAL 73 Ca 0.44 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1snl h VAL 73 Cb 0.34 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1snl h VAL 73 CO -0.23 0.22 0.00 0.24 0.02 0.00 0.00 177.57 177.83 1snl h MET 74 N -0.84 0.00 0.22 1.57 2.07 -1.29 0.27 114.93 116.94 1snl h MET 74 Ca -0.02 0.00 -0.35 0.00 -2.07 0.00 0.00 59.70 57.26 1snl h MET 74 Cb 0.53 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 30.28 1snl h MET 74 CO 0.04 0.00 -1.61 -0.22 1.07 0.00 0.00 176.91 176.18 1snl h LYS 75 N 0.00 0.47 0.00 1.72 3.64 -0.58 -3.20 116.57 118.62 1snl h LYS 75 Ca 0.00 -0.81 -0.02 0.00 -1.27 0.00 0.00 60.65 58.54 1snl h LYS 75 Cb 0.05 0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1snl h LYS 75 CO 0.00 1.39 -1.88 0.27 -2.27 0.00 0.00 179.45 176.96 1snl n ASN 76 N -3.66 0.73 -0.09 4.20 2.04 -1.01 -4.57 115.26 112.89 1snl n ASN 76 Ca -0.21 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 53.82 1snl n ASN 76 Cb 1.09 1.78 -0.15 0.00 -2.53 0.00 0.00 39.78 39.98 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1snl n VAL 77 N -2.19 1.46 -1.49 3.53 0.31 0.93 -4.86 118.33 116.02 1snl n VAL 77 Ca -0.05 -0.79 -0.46 0.00 -0.01 0.00 0.00 64.34 63.02 1snl n VAL 77 Cb 0.53 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.63 1snl n VAL 77 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1snl n ASP 78 N -2.92 2.24 -0.00 4.52 -0.08 -1.21 -4.80 116.55 114.30 1snl n ASP 78 Ca -0.32 0.21 -0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1snl n ASP 78 Cb 1.11 -1.34 -0.00 0.00 2.34 0.00 0.00 41.12 43.22 1snl n ASP 78 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1snl h THR 79 N 7.27 0.00 -0.55 5.18 1.03 -1.89 -3.41 112.91 120.54 1snl h THR 79 Ca -0.28 -0.09 -0.25 0.00 -0.01 0.00 0.00 66.41 65.79 1snl h THR 79 Cb 1.30 0.00 -0.15 0.00 -1.07 0.00 0.00 68.15 68.23 1snl h THR 79 CO 1.06 0.00 0.16 0.59 -0.01 0.00 0.00 175.52 177.31 1snl n ASN 80 N -2.27 3.27 -1.53 0.00 5.03 -1.26 -4.92 115.26 113.59 1snl n ASN 80 Ca -0.00 -3.57 -0.02 0.00 0.87 0.00 0.00 54.58 51.86 1snl n ASN 80 Cb 0.00 -0.69 -0.01 0.00 -1.02 0.00 0.00 39.78 38.07 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1snl n GLN 81 N -0.93 -1.64 -0.08 3.52 1.13 -1.26 -4.63 117.38 113.50 1snl n GLN 81 Ca 0.39 0.12 0.01 0.00 -1.94 0.00 0.00 57.00 55.59 1snl n GLN 81 Cb 1.22 -4.32 0.05 0.00 0.11 0.00 0.00 30.24 27.30 1snl n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1snl n ASP 82 N 0.00 1.00 0.00 1.08 -0.08 -1.26 -4.78 116.55 112.51 1snl n ASP 82 Ca -0.02 -2.05 0.00 0.00 -1.51 0.00 0.00 54.79 51.20 1snl n ASP 82 Cb 0.22 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1snl n ARG 83 N -0.08 0.00 -4.92 -0.67 1.74 -1.26 -4.91 116.66 106.56 1snl n ARG 83 Ca 0.04 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 1snl n ARG 83 Cb 0.21 -3.96 -0.15 0.00 -1.02 0.00 0.00 32.46 27.54 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 2.57 -0.14 0.55 1.43 -1.26 -4.03 118.68 117.80 1snl s LEU 84 Ca 0.00 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1snl s LEU 84 Cb 0.00 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1snl s LEU 84 CO 0.00 0.23 -0.05 -0.69 0.23 0.00 0.00 176.35 176.07 1snl s VAL 85 N -0.03 3.81 0.14 -1.59 1.01 -1.19 -4.70 120.40 117.85 1snl s VAL 85 Ca -0.04 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1snl s VAL 85 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1snl s VAL 85 CO 0.04 0.51 0.08 0.42 0.00 0.00 0.00 175.10 176.15 1snl s THR 86 N 0.23 4.29 0.41 3.92 -4.23 -1.26 -1.53 115.64 117.48 1snl s THR 86 Ca -0.03 -1.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.54 1snl s THR 86 Cb -0.14 -3.14 0.33 0.00 1.34 0.00 0.00 72.50 70.89 1snl s THR 86 CO 0.03 -0.03 1.94 0.25 -0.54 0.00 0.00 174.62 176.27 1snl h LEU 87 N 2.77 0.45 0.04 4.79 5.85 -1.97 -0.78 115.31 126.46 1snl h LEU 87 Ca -0.47 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1snl h LEU 87 Cb 1.19 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1snl h LEU 87 CO 0.62 0.25 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.61 1snl h GLU 88 N 0.49 -0.07 -0.14 1.25 5.08 -1.94 -1.72 114.58 117.53 1snl h GLU 88 Ca 0.34 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1snl h GLU 88 Cb 0.66 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1snl h GLU 88 CO -0.11 -0.04 -0.40 0.93 -1.00 0.00 0.00 179.01 178.38 1snl h GLU 89 N -0.07 0.32 -0.10 2.33 4.39 -1.96 -3.07 114.58 116.42 1snl h GLU 89 Ca -0.01 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.57 1snl h GLU 89 Cb 0.06 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1snl h GLU 89 CO 0.00 0.67 -0.09 0.35 -1.16 0.00 0.00 179.01 178.79 1snl h PHE 90 N 0.27 -0.22 -0.43 4.33 3.57 -1.15 -1.97 116.94 121.34 1snl h PHE 90 Ca 0.03 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1snl h PHE 90 Cb 0.83 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 1snl h PHE 90 CO 0.02 -0.14 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.81 1snl h LEU 91 N -0.10 -0.35 -0.86 0.59 3.38 -1.22 -0.63 115.31 116.11 1snl h LEU 91 Ca 0.07 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.39 1snl h LEU 91 Cb 0.21 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.06 1snl h LEU 91 CO -0.17 -0.13 0.11 0.00 0.09 0.00 0.00 178.44 178.34 1snl h ALA 92 N 1.42 1.08 -0.64 1.53 0.00 -1.29 2.53 119.26 123.91 1snl h ALA 92 Ca 0.21 0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.45 1snl h ALA 92 Cb 0.32 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1snl h ALA 92 CO -0.43 -0.48 0.42 0.66 0.00 0.00 0.00 179.25 179.42 1snl h SER 93 N 0.12 0.52 0.00 0.00 4.64 -0.87 -3.16 113.55 114.80 1snl h SER 93 Ca 0.52 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.56 1snl h SER 93 Cb 1.02 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1snl h SER 93 CO -0.73 0.33 -1.65 0.35 -0.87 0.00 0.00 176.83 174.26 1snl n THR 94 N -4.48 1.52 -2.10 2.95 -2.24 0.36 -4.86 114.28 105.44 1snl n THR 94 Ca 0.10 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1snl n THR 94 Cb 0.27 -2.03 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 1snl n THR 94 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1snl s GLN 95 N -2.43 4.24 0.00 -0.78 -1.52 0.76 -4.81 119.66 115.12 1snl s GLN 95 Ca -0.31 2.11 0.00 0.00 -1.95 0.00 0.00 55.36 55.21 1snl s GLN 95 Cb 0.09 -3.62 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1snl s GLN 95 CO 0.52 -0.66 0.00 0.54 -0.25 0.00 0.00 175.29 175.44 1snl n ARG 96 N 5.63 2.63 -1.34 2.91 5.12 -1.26 -4.52 116.66 125.83 1snl n ARG 96 Ca 0.14 0.00 -0.55 0.00 -1.93 0.00 0.00 57.85 55.52 1snl n ARG 96 Cb 0.42 -0.73 -0.10 0.00 -1.16 0.00 0.00 32.46 30.89 1snl n ARG 96 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1snl n LYS 97 N -0.91 0.39 -2.76 5.56 4.81 -1.26 -4.81 118.16 119.17 1snl n LYS 97 Ca 0.00 0.10 -0.43 0.00 -0.87 0.00 0.00 58.31 57.11 1snl n LYS 97 Cb 0.10 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.25 1snl n LYS 97 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1snl s GLU 98 N 6.40 3.60 0.00 1.64 2.02 -1.26 -5.25 118.70 125.85 1snl s GLU 98 Ca 1.17 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1snl s GLU 98 Cb -1.23 -5.12 0.00 0.00 0.10 0.00 0.00 34.13 27.88 1snl s GLU 98 CO 0.58 -1.97 0.00 0.34 0.02 0.00 0.00 175.26 174.23