#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ry1 h THR 6 N 0.00 0.03 -0.04 1.69 2.02 -2.03 3.30 112.91 117.88 1ry1 h THR 6 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1ry1 h THR 6 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1ry1 h THR 6 CO 0.00 0.00 -0.09 -0.25 0.37 0.00 0.00 175.52 175.55 1ry1 h TRP 7 N -0.23 0.16 -0.52 3.16 2.91 -2.02 0.20 115.95 119.60 1ry1 h TRP 7 Ca 0.15 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 1ry1 h TRP 7 Cb 0.55 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 1ry1 h TRP 7 CO -0.79 0.70 0.29 1.49 -1.03 0.00 0.00 178.44 179.10 1ry1 h GLU 8 N -0.42 0.71 0.14 2.65 4.81 -1.94 -1.26 114.58 119.28 1ry1 h GLU 8 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1ry1 h GLU 8 Cb 0.70 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ry1 h GLU 8 CO 0.02 0.53 -0.07 1.49 -0.73 0.00 0.00 179.01 180.25 1ry1 h GLU 9 N 0.72 -0.19 -0.85 1.92 4.57 0.61 -3.27 114.58 118.09 1ry1 h GLU 9 Ca 0.19 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.49 1ry1 h GLU 9 Cb 0.02 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.52 1ry1 h GLU 9 CO -0.03 0.25 -0.49 0.35 -1.18 0.00 0.00 179.01 177.91 1ry1 h PHE 10 N -0.89 -1.49 -0.77 0.92 3.57 -0.28 0.13 116.94 118.12 1ry1 h PHE 10 Ca -0.02 0.11 0.16 0.00 3.53 0.00 0.00 57.97 61.75 1ry1 h PHE 10 Cb 0.52 0.77 -0.10 0.00 2.79 0.00 0.00 35.95 39.92 1ry1 h PHE 10 CO 0.09 -0.40 0.28 0.66 -2.23 0.00 0.00 178.31 176.71 1ry1 h SER 11 N -0.08 0.22 0.14 0.41 4.64 -1.36 -1.25 113.55 116.27 1ry1 h SER 11 Ca 0.22 0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1ry1 h SER 11 Cb 0.52 0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 1ry1 h SER 11 CO -0.87 0.06 -0.45 0.08 -0.87 0.00 0.00 176.83 174.78 1ry1 h ARG 12 N 0.40 -0.64 -0.90 4.77 0.11 -0.80 0.22 114.38 117.53 1ry1 h ARG 12 Ca 0.44 0.04 0.22 0.00 0.10 0.00 0.00 59.98 60.78 1ry1 h ARG 12 Cb 0.71 0.15 -0.12 0.00 1.11 0.00 0.00 29.97 31.81 1ry1 h ARG 12 CO -0.45 -0.43 0.40 0.00 0.10 0.00 0.00 179.97 179.59 1ry1 h ALA 13 N -0.74 1.44 -0.07 0.08 0.00 -0.90 0.43 119.26 119.50 1ry1 h ALA 13 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ry1 h ALA 13 Cb 0.66 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ry1 h ALA 13 CO -0.22 -0.33 0.01 0.00 0.00 0.00 0.00 179.25 178.72 1ry1 h ALA 14 N 1.70 0.10 0.00 0.00 0.00 -0.34 -1.90 119.26 118.82 1ry1 h ALA 14 Ca 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ry1 h ALA 14 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ry1 h ALA 14 CO -0.52 -0.27 0.00 0.39 0.00 0.00 0.00 179.25 178.85 1ry1 n GLU 15 N -4.90 0.06 0.06 0.00 1.02 0.67 -0.85 120.64 116.71 1ry1 n GLU 15 Ca -0.06 0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 1ry1 n GLU 15 Cb 0.15 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.93 1ry1 n GLU 15 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ry1 h LYS 16 N 0.00 0.34 -0.36 3.49 3.64 -0.23 -3.17 116.57 120.28 1ry1 h LYS 16 Ca 0.00 -0.58 -0.12 0.00 -1.27 0.00 0.00 60.65 58.68 1ry1 h LYS 16 Cb 0.18 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1ry1 h LYS 16 CO 0.00 1.28 -0.25 -0.07 -2.27 0.00 0.00 179.45 178.13 1ry1 h LEU 17 N -0.18 0.85 -0.97 5.20 3.38 -0.49 -0.51 115.31 122.59 1ry1 h LEU 17 Ca -0.26 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.31 1ry1 h LEU 17 Cb 1.86 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.31 1ry1 h LEU 17 CO 0.14 1.10 0.64 0.22 0.09 0.00 0.00 178.44 180.63 1ry1 h TYR 18 N 0.60 1.20 0.04 1.13 3.20 -1.13 -3.01 116.97 119.00 1ry1 h TYR 18 Ca 0.07 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.73 1ry1 h TYR 18 Cb 0.82 -0.40 0.02 0.00 1.54 0.00 0.00 36.73 38.71 1ry1 h TYR 18 CO 0.06 0.70 -0.98 -0.07 -1.64 0.00 0.00 178.16 176.23 1ry1 h LEU 19 N 1.24 0.79 -0.94 2.82 3.38 -1.49 -0.15 115.31 120.96 1ry1 h LEU 19 Ca 0.38 -0.78 0.24 0.00 0.09 0.00 0.00 57.88 57.81 1ry1 h LEU 19 Cb -0.02 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 40.36 1ry1 h LEU 19 CO -0.12 1.47 0.46 0.00 0.09 0.00 0.00 178.44 180.35 1ry1 h ALA 20 N 0.33 1.58 -0.58 1.53 0.00 -0.97 -3.36 119.26 117.78 1ry1 h ALA 20 Ca -0.13 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ry1 h ALA 20 Cb 1.66 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.38 1ry1 h ALA 20 CO 0.19 -0.34 -0.27 0.34 0.00 0.00 0.00 179.25 179.17 1ry1 s ASP 21 N -5.16 -0.89 0.00 0.00 -1.08 -1.15 -5.03 116.67 103.36 1ry1 s ASP 21 Ca -0.11 -0.50 0.04 0.00 -0.52 0.00 0.00 52.55 51.46 1ry1 s ASP 21 Cb 0.26 1.14 0.25 0.00 -1.46 0.00 0.00 42.92 43.11 1ry1 s ASP 21 CO 0.78 -0.09 0.69 -0.81 0.52 0.00 0.00 175.17 176.26 1ry1 n PRO 22 N 3.92 0.44 -0.00 4.34 -0.04 -0.07 -2.49 135.00 141.10 1ry1 n PRO 22 Ca 0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1ry1 n PRO 22 Cb 0.60 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1ry1 n PRO 22 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1ry1 n MET 23 N -0.65 4.26 -0.00 0.54 1.56 -1.26 -4.64 117.12 116.93 1ry1 n MET 23 Ca 0.03 -0.01 0.05 0.00 -0.27 0.00 0.00 57.70 57.51 1ry1 n MET 23 Cb 0.01 -0.85 -0.08 0.00 2.15 0.00 0.00 33.22 34.45 1ry1 n MET 23 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1ry1 n LYS 24 N -1.23 1.51 -3.52 2.12 5.02 -1.04 -5.02 118.16 116.01 1ry1 n LYS 24 Ca 0.01 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1ry1 n LYS 24 Cb 0.11 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1ry1 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ry1 s ALA 25 N -2.47 4.09 0.22 7.82 0.00 -1.21 -4.67 121.76 125.53 1ry1 s ALA 25 Ca -0.01 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 1ry1 s ALA 25 Cb 0.07 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 1ry1 s ALA 25 CO 0.44 -0.01 0.36 -0.98 0.00 0.00 0.00 175.76 175.57 1ry1 s ARG 26 N -4.18 1.39 -0.17 0.00 1.70 -0.52 -4.98 118.95 112.19 1ry1 s ARG 26 Ca 0.43 -1.33 -0.03 0.00 -0.47 0.00 0.00 55.73 54.33 1ry1 s ARG 26 Cb -0.09 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1ry1 s ARG 26 CO 0.32 -0.54 0.03 0.54 -1.08 0.00 0.00 175.30 174.57 1ry1 s VAL 27 N -4.04 0.44 0.45 4.99 0.11 -1.26 -1.92 120.40 119.17 1ry1 s VAL 27 Ca 0.26 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1ry1 s VAL 27 Cb 0.02 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1ry1 s VAL 27 CO 0.08 -0.12 0.74 0.68 -3.33 0.00 0.00 175.10 173.15 1ry1 s VAL 28 N 1.90 4.94 -0.29 2.04 -7.23 0.13 -4.93 120.40 116.97 1ry1 s VAL 28 Ca 0.01 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.29 1ry1 s VAL 28 Cb -0.16 -3.86 0.15 0.00 0.56 0.00 0.00 36.38 33.07 1ry1 s VAL 28 CO -0.08 -0.79 0.38 -0.22 -0.31 0.00 0.00 175.10 174.09 1ry1 s LEU 29 N -4.63 -0.64 -0.47 1.32 2.96 -1.26 -1.45 118.68 114.51 1ry1 s LEU 29 Ca 0.46 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 1ry1 s LEU 29 Cb -0.10 0.95 0.07 0.00 0.50 0.00 0.00 46.19 47.61 1ry1 s LEU 29 CO 0.43 -0.36 0.39 -0.75 -1.32 0.00 0.00 176.35 174.74 1ry1 s LYS 30 N 2.50 2.96 -0.35 1.98 2.20 0.45 -4.94 119.74 124.53 1ry1 s LYS 30 Ca 0.10 -1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 54.20 1ry1 s LYS 30 Cb -0.13 -4.11 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 1ry1 s LYS 30 CO -0.30 -1.03 0.33 -0.47 -0.36 0.00 0.00 175.35 173.52 1ry1 s TYR 31 N 1.63 3.21 -0.75 4.03 5.04 -1.26 -2.50 117.35 126.75 1ry1 s TYR 31 Ca 0.04 -0.13 0.04 0.00 -2.44 0.00 0.00 57.07 54.57 1ry1 s TYR 31 Cb -0.24 -2.63 0.19 0.00 0.35 0.00 0.00 41.96 39.63 1ry1 s TYR 31 CO 0.06 -0.44 0.61 -2.13 -1.34 0.00 0.00 175.55 172.31 1ry1 n ARG 32 N 5.31 2.15 -0.34 4.97 0.63 -0.90 -4.98 116.66 123.51 1ry1 n ARG 32 Ca -0.10 -4.52 0.02 0.00 -0.92 0.00 0.00 57.85 52.32 1ry1 n ARG 32 Cb 0.49 -2.31 0.08 0.00 0.45 0.00 0.00 32.46 31.17 1ry1 n ARG 32 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ry1 h HIS 33 N 5.33 -0.75 0.00 -0.14 -0.00 -1.95 0.78 115.15 118.40 1ry1 h HIS 33 Ca 0.16 0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 1ry1 h HIS 33 Cb 0.75 0.47 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1ry1 h HIS 33 CO 0.71 -0.40 0.00 -1.13 -0.00 0.00 0.00 177.93 177.10 1ry1 n SER 34 N -5.53 0.00 0.28 3.26 3.41 -1.26 -1.20 113.62 112.57 1ry1 n SER 34 Ca 0.12 0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.89 1ry1 n SER 34 Cb 0.43 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.69 1ry1 n SER 34 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ry1 h ASP 35 N 0.00 0.00 -4.48 4.04 5.19 -2.01 -3.44 116.42 115.71 1ry1 h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ry1 h ASP 35 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ry1 h ASP 35 CO 0.00 0.00 -0.31 0.61 -3.12 0.00 0.00 179.24 176.42 1ry1 n GLY 36 N -1.44 -1.09 3.60 2.75 0.00 0.25 -5.09 105.19 104.17 1ry1 n GLY 36 Ca 0.02 0.76 -0.09 0.00 0.00 0.00 0.00 46.02 46.70 1ry1 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ry1 s ASN 37 N -2.07 -0.35 0.27 1.61 2.20 -1.09 -4.75 114.94 110.76 1ry1 s ASN 37 Ca 0.15 0.47 0.08 0.00 -0.94 0.00 0.00 52.86 52.63 1ry1 s ASN 37 Cb -0.04 0.41 -0.04 0.00 -2.00 0.00 0.00 41.25 39.58 1ry1 s ASN 37 CO 0.50 -0.26 0.13 -0.22 -2.94 0.00 0.00 177.10 174.31 1ry1 s LEU 38 N -0.73 3.57 -0.29 3.54 2.96 -0.57 -2.12 118.68 125.03 1ry1 s LEU 38 Ca 0.01 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1ry1 s LEU 38 Cb -0.02 -2.10 0.16 0.00 0.50 0.00 0.00 46.19 44.74 1ry1 s LEU 38 CO -0.02 -0.06 0.60 0.00 -1.32 0.00 0.00 176.35 175.55 1ry1 s VAL 40 N 2.84 4.88 -0.10 0.00 1.01 -0.10 -0.41 120.40 128.52 1ry1 s VAL 40 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1ry1 s VAL 40 Cb -0.14 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.08 1ry1 s VAL 40 CO -0.20 0.44 0.26 -0.75 0.00 0.00 0.00 175.10 174.85 1ry1 s LYS 41 N -1.50 0.27 -0.14 2.72 2.20 -0.53 -0.25 119.74 122.50 1ry1 s LYS 41 Ca 0.20 0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1ry1 s LYS 41 Cb -0.12 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1ry1 s LYS 41 CO 0.11 -0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 174.99 1ry1 s VAL 42 N 0.65 1.28 0.24 4.02 1.01 -0.64 0.19 120.40 127.16 1ry1 s VAL 42 Ca -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1ry1 s VAL 42 Cb -0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1ry1 s VAL 42 CO -0.04 0.35 0.03 0.28 0.00 0.00 0.00 175.10 175.73 1ry1 s THR 43 N 1.59 0.86 -0.02 3.92 -1.32 -0.81 -2.92 115.64 116.95 1ry1 s THR 43 Ca 0.04 -2.01 0.08 0.00 -1.21 0.00 0.00 61.69 58.59 1ry1 s THR 43 Cb -0.13 -2.46 0.13 0.00 -1.51 0.00 0.00 72.50 68.53 1ry1 s THR 43 CO -0.09 -0.21 1.06 -0.67 -2.21 0.00 0.00 174.62 172.50 1ry1 n ASP 44 N -0.44 0.46 -1.66 8.08 2.03 -1.24 -1.43 116.55 122.34 1ry1 n ASP 44 Ca -0.03 -2.13 -0.15 0.00 0.52 0.00 0.00 54.79 52.99 1ry1 n ASP 44 Cb 0.65 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 1ry1 n ASP 44 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ry1 n ASP 45 N -0.02 -4.12 -0.29 1.67 9.92 -1.26 -4.55 116.55 117.90 1ry1 n ASP 45 Ca 0.03 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1ry1 n ASP 45 Cb 0.80 -3.71 0.00 0.00 -0.64 0.00 0.00 41.12 37.58 1ry1 n ASP 45 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ry1 n LEU 46 N -2.20 0.00 -2.90 0.64 4.77 -1.26 -5.03 117.00 111.02 1ry1 n LEU 46 Ca -0.16 -0.75 0.02 0.00 -0.03 0.00 0.00 56.01 55.09 1ry1 n LEU 46 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1ry1 n LEU 46 CO 0.23 0.69 0.38 0.68 -1.33 0.00 0.00 177.39 178.04 1ry1 s VAL 47 N 0.00 -0.40 -0.89 4.08 -7.23 -1.26 -5.12 120.40 109.59 1ry1 s VAL 47 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.94 1ry1 s VAL 47 Cb 0.00 -0.04 0.06 0.00 0.56 0.00 0.00 36.38 36.96 1ry1 s VAL 47 CO 0.00 0.00 1.30 0.00 -0.31 0.00 0.00 175.10 176.09 1ry1 s LEU 49 N 4.74 4.29 0.04 0.00 1.43 -1.15 -5.05 118.68 122.99 1ry1 s LEU 49 Ca 0.38 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1ry1 s LEU 49 Cb -0.05 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ry1 s LEU 49 CO -0.01 -0.26 -0.13 0.54 0.23 0.00 0.00 176.35 176.72 1ry1 s VAL 50 N 1.58 1.04 -0.08 -1.59 0.11 -1.26 -1.62 120.40 118.58 1ry1 s VAL 50 Ca 0.03 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 1ry1 s VAL 50 Cb -0.18 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1ry1 s VAL 50 CO 0.06 -0.03 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.30 1ry1 s TYR 51 N -0.88 0.99 0.08 1.54 5.04 0.65 -5.01 117.35 119.75 1ry1 s TYR 51 Ca 0.01 -0.39 0.05 0.00 -2.44 0.00 0.00 57.07 54.30 1ry1 s TYR 51 Cb -0.08 -0.96 -0.04 0.00 0.35 0.00 0.00 41.96 41.24 1ry1 s TYR 51 CO 0.01 -0.39 -0.03 0.15 -1.34 0.00 0.00 175.55 173.95 1ry1 s LYS 52 N 1.79 2.46 0.09 4.97 1.02 -1.26 -0.92 119.74 127.88 1ry1 s LYS 52 Ca 0.04 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.07 1ry1 s LYS 52 Cb -0.13 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1ry1 s LYS 52 CO -0.06 0.54 0.20 0.99 -0.92 0.00 0.00 175.35 176.11 1ry1 s THR 53 N -1.25 0.14 0.00 2.17 2.01 -0.85 -5.01 115.64 112.84 1ry1 s THR 53 Ca 0.24 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1ry1 s THR 53 Cb -0.11 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1ry1 s THR 53 CO 0.16 -0.62 0.00 -0.90 -0.69 0.00 0.00 174.62 172.57 1ry1 n ASP 54 N -0.02 0.97 -4.76 3.53 5.75 -1.26 -1.51 116.55 119.25 1ry1 n ASP 54 Ca -0.15 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.28 1ry1 n ASP 54 Cb 0.62 0.16 0.04 0.00 -1.03 0.00 0.00 41.12 40.91 1ry1 n ASP 54 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1ry1 s GLN 55 N -0.69 2.88 0.10 0.11 -1.52 -1.26 -4.82 119.66 114.46 1ry1 s GLN 55 Ca 0.00 1.64 -0.09 0.00 -1.95 0.00 0.00 55.36 54.96 1ry1 s GLN 55 Cb 0.00 -1.94 -0.18 0.00 -0.22 0.00 0.00 33.01 30.68 1ry1 s GLN 55 CO 0.00 -1.24 1.23 0.00 -0.25 0.00 0.00 175.29 175.04 1ry1 h ALA 56 N 0.53 0.22 0.00 6.09 0.00 -2.00 -3.29 119.26 120.81 1ry1 h ALA 56 Ca -0.49 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1ry1 h ALA 56 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ry1 h ALA 56 CO 0.54 0.76 0.05 0.00 0.00 0.00 0.00 179.25 180.60 1ry1 n GLN 57 N -3.79 0.12 0.00 0.00 10.64 -1.26 -2.63 117.38 120.47 1ry1 n GLN 57 Ca -0.09 0.62 0.13 0.00 -1.83 0.00 0.00 57.00 55.83 1ry1 n GLN 57 Cb 0.88 -1.96 0.41 0.00 -0.86 0.00 0.00 30.24 28.71 1ry1 n GLN 57 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1ry1 n ASP 58 N -2.19 0.30 0.33 2.61 8.00 -1.24 -4.31 116.55 120.05 1ry1 n ASP 58 Ca -0.01 0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 1ry1 n ASP 58 Cb 0.08 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 1ry1 n ASP 58 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ry1 h VAL 59 N 0.02 0.35 -0.97 2.53 2.07 -1.74 -3.02 116.25 115.49 1ry1 h VAL 59 Ca 0.00 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.46 1ry1 h VAL 59 Cb 0.50 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 1ry1 h VAL 59 CO 0.00 0.02 -0.56 1.17 0.02 0.00 0.00 177.57 178.22 1ry1 n LYS 60 N -5.41 -0.42 -0.30 1.57 4.81 -1.26 -0.76 118.16 116.39 1ry1 n LYS 60 Ca -0.13 1.47 -0.02 0.00 -0.87 0.00 0.00 58.31 58.76 1ry1 n LYS 60 Cb 0.35 -2.16 0.13 0.00 0.02 0.00 0.00 35.03 33.38 1ry1 n LYS 60 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1ry1 h LYS 61 N 0.00 1.19 -0.69 1.64 2.10 -1.83 -1.20 116.57 117.78 1ry1 h LYS 61 Ca 0.17 -0.12 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 1ry1 h LYS 61 Cb 0.41 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 1ry1 h LYS 61 CO -0.92 0.84 0.35 0.82 -2.00 0.00 0.00 179.45 178.55 1ry1 h ILE 62 N 1.20 1.22 -0.44 0.07 2.04 -0.99 -0.43 117.51 120.18 1ry1 h ILE 62 Ca 0.31 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1ry1 h ILE 62 Cb -0.02 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1ry1 h ILE 62 CO -0.06 0.25 -0.14 1.05 0.00 0.00 0.00 178.15 179.25 1ry1 h GLU 63 N 0.95 0.82 -0.51 2.37 -0.00 -0.45 -2.58 114.58 115.18 1ry1 h GLU 63 Ca 0.24 -0.30 -0.13 0.00 -0.00 0.00 0.00 59.36 59.18 1ry1 h GLU 63 Cb 0.08 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 1ry1 h GLU 63 CO -0.03 0.92 -0.18 0.87 -0.00 0.00 0.00 179.01 180.58 1ry1 h LYS 64 N 0.73 1.02 0.00 1.06 1.57 -0.87 -0.11 116.57 119.98 1ry1 h LYS 64 Ca 0.12 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1ry1 h LYS 64 Cb 0.65 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ry1 h LYS 64 CO 0.05 1.10 -0.07 0.35 -0.57 0.00 0.00 179.45 180.31 1ry1 h PHE 65 N 0.89 0.00 0.05 -1.35 3.57 -0.93 0.76 116.94 119.93 1ry1 h PHE 65 Ca 0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1ry1 h PHE 65 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1ry1 h PHE 65 CO 0.05 0.07 -0.02 1.25 -2.23 0.00 0.00 178.31 177.43 1ry1 h HIS 66 N 0.00 -0.06 -0.94 0.41 2.76 -1.03 -2.79 115.15 113.49 1ry1 h HIS 66 Ca -0.00 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 1ry1 h HIS 66 Cb 0.18 0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.05 1ry1 h HIS 66 CO 0.00 0.11 0.53 0.77 -1.30 0.00 0.00 177.93 178.04 1ry1 h SER 67 N -1.01 0.65 0.57 3.26 0.02 -0.70 -2.03 113.55 114.32 1ry1 h SER 67 Ca -0.01 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1ry1 h SER 67 Cb 0.20 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.74 1ry1 h SER 67 CO 0.01 0.22 -0.27 -0.61 -1.14 0.00 0.00 176.83 175.04 1ry1 h GLN 68 N 0.67 -0.74 -1.39 3.45 4.15 -0.97 -2.72 115.11 117.57 1ry1 h GLN 68 Ca 0.55 0.05 0.46 0.00 0.77 0.00 0.00 58.65 60.47 1ry1 h GLN 68 Cb 0.86 0.17 -0.13 0.00 0.21 0.00 0.00 27.48 28.59 1ry1 h GLN 68 CO -0.40 -0.49 0.91 -0.07 -1.93 0.00 0.00 178.83 176.85 1ry1 h LEU 69 N -0.95 0.21 -0.36 -2.39 3.38 -1.18 1.41 115.31 115.44 1ry1 h LEU 69 Ca -0.08 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ry1 h LEU 69 Cb 0.59 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1ry1 h LEU 69 CO 0.13 -0.19 0.09 -0.03 0.09 0.00 0.00 178.44 178.53 1ry1 h MET 70 N 0.06 0.57 -0.06 1.13 4.05 -1.20 -2.87 114.93 116.60 1ry1 h MET 70 Ca 0.84 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 60.12 1ry1 h MET 70 Cb 2.74 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 33.46 1ry1 h MET 70 CO -0.40 0.61 -0.03 0.00 0.23 0.00 0.00 176.91 177.32 1ry1 h ARG 71 N 0.42 0.08 0.00 0.39 3.08 0.22 -0.04 114.38 118.54 1ry1 h ARG 71 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ry1 h ARG 71 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ry1 h ARG 71 CO 0.00 0.12 0.00 -0.07 -1.07 0.00 0.00 179.97 178.95 1ry1 h LEU 72 N 0.08 0.00 0.00 3.04 3.38 -1.26 0.61 115.31 121.17 1ry1 h LEU 72 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1ry1 h LEU 72 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ry1 h LEU 72 CO 0.00 0.00 -0.76 0.24 0.09 0.00 0.00 178.44 178.02 1ry1 h MET 73 N 0.00 0.00 0.00 1.13 2.86 -0.83 -3.32 114.93 114.77 1ry1 h MET 73 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ry1 h MET 73 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1ry1 h MET 73 CO 0.00 0.23 -0.99 0.28 1.06 0.00 0.00 176.91 177.48 1ry1 n VAL 74 N -2.98 0.00 0.44 -2.22 0.31 -0.60 -5.11 118.33 108.17 1ry1 n VAL 74 Ca -0.01 -0.17 0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1ry1 n VAL 74 Cb 0.68 0.81 0.21 0.00 -0.91 0.00 0.00 33.84 34.63 1ry1 n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51