#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qk0 s SER 29 N 0.00 -0.24 0.86 1.61 1.04 -1.26 -5.16 113.70 110.56 2qk0 s SER 29 Ca 0.00 0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.66 2qk0 s SER 29 Cb 0.00 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.70 2qk0 s SER 29 CO 0.00 -0.26 1.11 -0.62 0.98 0.00 0.00 173.24 174.45 2qk0 s ASP 30 N -0.56 3.59 0.56 7.02 3.68 -1.26 -4.98 116.67 124.73 2qk0 s ASP 30 Ca -0.07 1.90 -0.19 0.00 2.13 0.00 0.00 52.55 56.32 2qk0 s ASP 30 Cb -0.04 -2.48 -0.05 0.00 -1.45 0.00 0.00 42.92 38.90 2qk0 s ASP 30 CO 0.02 -2.63 1.13 -0.36 0.13 0.00 0.00 175.17 173.46 2qk0 s PHE 31 N -2.79 2.65 0.12 -5.34 2.99 -1.26 -5.05 117.98 109.30 2qk0 s PHE 31 Ca 0.64 1.54 0.06 0.00 0.00 0.00 0.00 56.93 59.17 2qk0 s PHE 31 Cb -0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 43.02 39.50 2qk0 s PHE 31 CO 0.57 -1.62 -0.14 1.03 -0.00 0.00 0.00 175.22 175.06 2qk0 s ARG 32 N -3.38 1.00 0.32 0.44 0.52 -1.26 -5.10 118.95 111.50 2qk0 s ARG 32 Ca 0.72 -1.22 -0.29 0.00 -0.52 0.00 0.00 55.73 54.43 2qk0 s ARG 32 Cb -0.24 -0.89 -0.10 0.00 0.52 0.00 0.00 34.95 34.24 2qk0 s ARG 32 CO 0.29 0.17 1.41 0.08 0.02 0.00 0.00 175.30 177.27 2qk0 s VAL 33 N -2.09 2.47 0.00 3.52 1.01 -1.26 -2.29 120.40 121.75 2qk0 s VAL 33 Ca 0.08 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2qk0 s VAL 33 Cb -0.05 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2qk0 s VAL 33 CO 0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2qk0 n GLY 34 N 1.15 0.80 3.78 4.51 0.00 0.04 -4.99 105.19 110.48 2qk0 n GLY 34 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2qk0 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qk0 s GLU 35 N -0.73 4.21 -0.16 1.61 2.02 -0.97 -4.68 118.70 120.00 2qk0 s GLU 35 Ca 0.00 1.52 -0.28 0.00 0.02 0.00 0.00 54.97 56.22 2qk0 s GLU 35 Cb 0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 2qk0 s GLU 35 CO 0.00 -0.10 0.97 0.50 0.02 0.00 0.00 175.26 176.66 2qk0 s ARG 36 N -2.42 4.34 0.19 1.61 6.06 -1.26 -1.19 118.95 126.28 2qk0 s ARG 36 Ca 0.57 1.29 0.04 0.00 -2.50 0.00 0.00 55.73 55.12 2qk0 s ARG 36 Cb -0.22 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.16 2qk0 s ARG 36 CO 0.28 -0.41 -0.04 0.14 -2.50 0.00 0.00 175.30 172.77 2qk0 s VAL 37 N 2.40 1.02 -0.22 7.11 -7.23 0.17 -4.78 120.40 118.88 2qk0 s VAL 37 Ca 0.45 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2qk0 s VAL 37 Cb -0.17 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.70 2qk0 s VAL 37 CO 0.13 -0.51 -0.11 0.26 -0.31 0.00 0.00 175.10 174.56 2qk0 s TRP 38 N -3.42 2.68 0.52 2.82 0.52 0.17 -1.00 118.94 121.22 2qk0 s TRP 38 Ca 0.23 -1.82 -0.17 0.00 0.02 0.00 0.00 56.10 54.37 2qk0 s TRP 38 Cb 0.05 -1.74 -0.08 0.00 -1.15 0.00 0.00 33.47 30.55 2qk0 s TRP 38 CO 0.05 -0.79 0.99 0.08 0.02 0.00 0.00 176.95 177.30 2qk0 s VAL 39 N 1.31 4.49 -0.12 4.03 1.01 -0.07 -0.99 120.40 130.05 2qk0 s VAL 39 Ca -0.03 1.20 -0.41 0.00 0.00 0.00 0.00 61.98 62.73 2qk0 s VAL 39 Cb -0.17 -3.70 -0.20 0.00 0.00 0.00 0.00 36.38 32.31 2qk0 s VAL 39 CO -0.08 -0.68 1.25 0.59 0.00 0.00 0.00 175.10 176.19 2qk0 n ASN 40 N -1.60 0.54 0.00 3.32 5.03 -0.07 -0.54 115.26 121.94 2qk0 n ASN 40 Ca 0.07 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.68 2qk0 n ASN 40 Cb 0.54 -0.94 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 2qk0 n ASN 40 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qk0 n GLY 41 N 2.31 0.62 2.94 7.41 0.00 -1.26 -4.47 105.19 112.75 2qk0 n GLY 41 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 2qk0 n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qk0 n ASN 42 N 0.00 -3.14 -4.51 1.61 5.15 0.30 -5.00 115.26 109.67 2qk0 n ASN 42 Ca 0.00 -0.45 -0.42 0.00 -0.60 0.00 0.00 54.58 53.11 2qk0 n ASN 42 Cb 0.00 -4.02 -0.09 0.00 -0.53 0.00 0.00 39.78 35.14 2qk0 n ASN 42 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qk0 s LYS 43 N -5.36 3.33 0.40 1.20 -0.14 -0.70 -4.87 119.74 113.59 2qk0 s LYS 43 Ca 0.15 -0.63 -0.24 0.00 -1.36 0.00 0.00 55.97 53.89 2qk0 s LYS 43 Cb -0.07 -3.88 -0.09 0.00 -1.68 0.00 0.00 37.83 32.11 2qk0 s LYS 43 CO 0.56 -0.66 1.06 -1.25 -0.76 0.00 0.00 175.35 174.30 2qk0 s PRO 44 N 1.99 4.14 0.20 -1.68 0.04 -1.26 -0.89 135.00 137.55 2qk0 s PRO 44 Ca 0.11 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 2qk0 s PRO 44 Cb -0.17 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.90 2qk0 s PRO 44 CO 0.12 -0.16 0.75 0.41 0.04 0.00 0.00 177.00 178.15 2qk0 n GLY 45 N 0.33 0.91 3.12 0.56 0.00 -0.17 -1.38 105.19 108.55 2qk0 n GLY 45 Ca 0.05 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2qk0 n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qk0 s PHE 46 N -3.18 1.47 0.06 1.61 0.40 -0.71 -0.66 117.98 116.97 2qk0 s PHE 46 Ca 0.16 -0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 55.83 2qk0 s PHE 46 Cb -0.03 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 2qk0 s PHE 46 CO 0.06 -0.09 1.47 0.42 0.70 0.00 0.00 175.22 177.77 2qk0 s ILE 47 N -0.12 3.38 -0.08 0.64 1.01 -0.34 -1.61 121.20 124.09 2qk0 s ILE 47 Ca 0.01 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.55 2qk0 s ILE 47 Cb -0.09 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2qk0 s ILE 47 CO 0.01 0.02 0.09 0.00 0.00 0.00 0.00 174.94 175.06 2qk0 n GLN 48 N 4.96 3.90 -3.66 2.79 1.13 0.12 -0.78 117.38 125.84 2qk0 n GLN 48 Ca 0.13 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 55.04 2qk0 n GLN 48 Cb 0.42 -0.79 -0.08 0.00 0.11 0.00 0.00 30.24 29.91 2qk0 n GLN 48 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2qk0 s PHE 49 N -1.59 -0.56 -0.07 1.08 5.36 -0.84 -4.86 117.98 116.49 2qk0 s PHE 49 Ca 0.00 1.25 -0.03 0.00 -0.96 0.00 0.00 56.93 57.19 2qk0 s PHE 49 Cb 0.02 0.23 0.04 0.00 -0.34 0.00 0.00 43.02 42.97 2qk0 s PHE 49 CO 0.11 -0.37 0.16 -0.51 -1.46 0.00 0.00 175.22 173.14 2qk0 s LEU 50 N -0.23 0.62 0.00 6.12 1.43 -1.26 -0.30 118.68 125.07 2qk0 s LEU 50 Ca -0.04 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2qk0 s LEU 50 Cb -0.03 0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.58 2qk0 s LEU 50 CO 0.03 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.06 2qk0 n GLY 51 N 4.30 0.94 3.85 -3.19 0.00 -0.62 -4.98 105.19 105.49 2qk0 n GLY 51 Ca -0.25 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 2qk0 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qk0 s GLU 52 N -2.00 3.91 0.31 1.61 2.02 -1.26 -0.64 118.70 122.65 2qk0 s GLU 52 Ca 0.00 0.87 0.03 0.00 0.02 0.00 0.00 54.97 55.89 2qk0 s GLU 52 Cb 0.00 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 2qk0 s GLU 52 CO 0.00 -0.25 0.11 0.95 0.02 0.00 0.00 175.26 176.09 2qk0 s THR 53 N -2.61 0.66 -0.07 3.63 -4.23 -1.26 -4.94 115.64 106.82 2qk0 s THR 53 Ca 0.58 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 2qk0 s THR 53 Cb -0.10 -2.61 -0.08 0.00 1.34 0.00 0.00 72.50 71.05 2qk0 s THR 53 CO 0.32 0.00 1.16 1.56 -0.54 0.00 0.00 174.62 177.13 2qk0 h GLN 54 N 2.20 0.00 0.00 3.99 4.20 -1.98 -3.35 115.11 120.17 2qk0 h GLN 54 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2qk0 h GLN 54 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2qk0 h GLN 54 CO 0.60 0.57 0.00 0.27 -0.67 0.00 0.00 178.83 179.60 2qk0 h PHE 55 N 0.00 0.00 -2.30 2.96 -5.15 -1.97 -3.46 116.94 107.01 2qk0 h PHE 55 Ca -0.08 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2qk0 h PHE 55 Cb 1.59 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.60 2qk0 h PHE 55 CO 0.00 0.00 0.35 0.00 -2.00 0.00 0.00 178.31 176.66 2qk0 s ALA 56 N -3.30 -1.76 0.90 12.09 0.00 -1.26 -5.18 121.76 123.25 2qk0 s ALA 56 Ca 0.06 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 2qk0 s ALA 56 Cb 0.09 0.27 0.13 0.00 0.00 0.00 0.00 23.12 23.61 2qk0 s ALA 56 CO 0.57 -0.57 1.12 -2.14 0.00 0.00 0.00 175.76 174.73 2qk0 s PRO 57 N -2.52 1.24 0.68 0.00 0.02 -1.26 -4.11 135.00 129.05 2qk0 s PRO 57 Ca -0.01 0.42 0.00 0.00 0.02 0.00 0.00 61.00 61.43 2qk0 s PRO 57 Cb -0.01 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.67 2qk0 s PRO 57 CO -0.04 -2.16 0.00 0.41 -0.33 0.00 0.00 177.00 174.88 2qk0 n GLY 58 N -1.97 -2.16 3.81 0.52 0.00 -1.26 -4.90 105.19 99.22 2qk0 n GLY 58 Ca 0.06 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2qk0 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qk0 s GLN 59 N -0.31 4.19 0.11 1.61 -1.52 -1.26 -4.24 119.66 118.24 2qk0 s GLN 59 Ca 0.00 0.73 0.04 0.00 -1.95 0.00 0.00 55.36 54.17 2qk0 s GLN 59 Cb 0.00 -3.20 -0.04 0.00 -0.22 0.00 0.00 33.01 29.55 2qk0 s GLN 59 CO 0.00 0.62 -0.09 -1.58 -0.25 0.00 0.00 175.29 173.98 2qk0 s TRP 60 N -1.16 1.09 -0.12 0.91 0.52 0.19 -4.44 118.94 115.93 2qk0 s TRP 60 Ca 0.30 -0.74 0.02 0.00 0.02 0.00 0.00 56.10 55.70 2qk0 s TRP 60 Cb -0.19 -0.59 0.01 0.00 -1.15 0.00 0.00 33.47 31.55 2qk0 s TRP 60 CO 0.19 -0.01 -0.19 0.00 0.02 0.00 0.00 176.95 176.97 2qk0 s ALA 61 N -2.99 1.97 -0.30 0.98 0.00 0.28 -1.59 121.76 120.12 2qk0 s ALA 61 Ca 0.10 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2qk0 s ALA 61 Cb 0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2qk0 s ALA 61 CO -0.01 -0.01 0.30 0.20 0.00 0.00 0.00 175.76 176.25 2qk0 s GLY 62 N 0.83 1.91 -0.03 0.00 0.00 0.60 -1.24 107.32 109.38 2qk0 s GLY 62 Ca -0.09 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.64 2qk0 s GLY 62 CO -0.00 0.86 -0.25 -0.42 0.00 0.00 0.00 173.10 173.29 2qk0 s ILE 63 N 1.93 1.99 -0.38 0.90 1.01 -0.16 0.16 121.20 126.65 2qk0 s ILE 63 Ca 0.11 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2qk0 s ILE 63 Cb -0.16 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.66 2qk0 s ILE 63 CO 0.11 0.56 0.26 0.54 0.00 0.00 0.00 174.94 176.41 2qk0 s VAL 64 N -0.50 5.12 0.59 2.92 0.11 -0.64 -1.97 120.40 126.04 2qk0 s VAL 64 Ca 0.07 -0.58 -0.15 0.00 -2.93 0.00 0.00 61.98 58.39 2qk0 s VAL 64 Cb -0.11 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2qk0 s VAL 64 CO -0.00 -0.21 1.04 -0.76 -3.33 0.00 0.00 175.10 171.84 2qk0 s LEU 65 N 1.67 3.47 0.23 2.54 1.43 0.17 -1.74 118.68 126.45 2qk0 s LEU 65 Ca 0.05 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2qk0 s LEU 65 Cb -0.19 -4.52 0.23 0.00 0.03 0.00 0.00 46.19 41.75 2qk0 s LEU 65 CO 0.09 -1.07 1.58 0.44 0.23 0.00 0.00 176.35 177.63 2qk0 h ASP 66 N 0.38 0.50 -3.04 2.29 5.19 -1.55 -3.45 116.42 116.74 2qk0 h ASP 66 Ca -0.46 -0.24 -0.62 0.00 -0.62 0.00 0.00 57.03 55.09 2qk0 h ASP 66 Cb 1.21 -0.14 -0.09 0.00 0.18 0.00 0.00 39.33 40.49 2qk0 h ASP 66 CO 0.58 0.90 -0.61 -1.61 -3.12 0.00 0.00 179.24 175.38 2qk0 s GLU 67 N -4.10 2.76 -1.17 3.56 0.41 -1.26 -5.02 118.70 113.88 2qk0 s GLU 67 Ca -0.06 -0.83 -0.09 0.00 -0.41 0.00 0.00 54.97 53.58 2qk0 s GLU 67 Cb 0.12 -2.62 -0.13 0.00 -1.78 0.00 0.00 34.13 29.73 2qk0 s GLU 67 CO 0.82 0.52 3.02 -0.35 -0.49 0.00 0.00 175.26 178.78 2qk0 n PRO 68 N 0.17 3.12 -0.29 0.39 -0.04 -1.26 -4.19 135.00 132.90 2qk0 n PRO 68 Ca -0.09 -1.83 0.07 0.00 -0.04 0.00 0.00 63.50 61.62 2qk0 n PRO 68 Cb 0.53 -2.57 0.20 0.00 -0.04 0.00 0.00 33.50 31.62 2qk0 n PRO 68 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2qk0 n ILE 69 N 3.37 1.83 -1.49 0.52 -5.35 -1.05 -4.83 119.36 112.35 2qk0 n ILE 69 Ca 0.67 -1.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 2qk0 n ILE 69 Cb 0.38 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 2qk0 n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qk0 n GLY 70 N -0.42 0.51 0.00 3.28 0.00 0.24 -5.02 105.19 103.78 2qk0 n GLY 70 Ca 0.17 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2qk0 n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qk0 n LYS 71 N -0.48 3.50 -4.06 1.61 5.02 0.28 -4.74 118.16 119.29 2qk0 n LYS 71 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2qk0 n LYS 71 Cb 0.00 -0.59 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 2qk0 n LYS 71 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qk0 s ASN 72 N -1.06 0.89 -0.16 4.39 2.20 -0.05 -4.89 114.94 116.26 2qk0 s ASN 72 Ca 0.00 -1.48 0.16 0.00 -0.94 0.00 0.00 52.86 50.60 2qk0 s ASN 72 Cb 0.00 0.70 0.71 0.00 -2.00 0.00 0.00 41.25 40.66 2qk0 s ASN 72 CO 0.00 -1.37 1.62 -0.90 -2.94 0.00 0.00 177.10 173.51 2qk0 n ASP 73 N -1.50 4.88 0.00 3.54 5.75 -1.24 -0.76 116.55 127.22 2qk0 n ASP 73 Ca -0.00 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 2qk0 n ASP 73 Cb 0.61 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2qk0 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qk0 n GLY 74 N 0.66 0.50 3.39 6.12 0.00 -1.26 -1.74 105.19 112.86 2qk0 n GLY 74 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 2qk0 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qk0 s SER 75 N -2.53 3.21 -0.04 1.61 1.04 -1.26 -1.05 113.70 114.68 2qk0 s SER 75 Ca 0.00 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 2qk0 s SER 75 Cb 0.00 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.93 2qk0 s SER 75 CO 0.00 0.12 0.00 -0.69 0.98 0.00 0.00 173.24 173.65 2qk0 s VAL 76 N -1.45 0.26 -1.49 5.02 1.01 0.38 -4.84 120.40 119.29 2qk0 s VAL 76 Ca 0.16 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 2qk0 s VAL 76 Cb -0.09 -0.38 0.07 0.00 0.00 0.00 0.00 36.38 35.98 2qk0 s VAL 76 CO 0.08 0.19 0.93 0.00 0.00 0.00 0.00 175.10 176.30 2qk0 n ALA 77 N 4.55 -1.23 -0.99 5.51 0.00 -1.26 -1.01 120.51 126.08 2qk0 n ALA 77 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2qk0 n ALA 77 Cb 0.50 -4.45 0.00 0.00 0.00 0.00 0.00 19.45 15.51 2qk0 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qk0 n GLY 78 N -1.68 0.96 3.53 0.00 0.00 -1.26 -5.01 105.19 101.74 2qk0 n GLY 78 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2qk0 n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qk0 s VAL 79 N -3.88 4.62 -0.11 1.61 1.01 -0.18 -5.09 120.40 118.39 2qk0 s VAL 79 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 2qk0 s VAL 79 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2qk0 s VAL 79 CO 0.00 0.37 0.32 -0.60 0.00 0.00 0.00 175.10 175.19 2qk0 s ARG 80 N 1.17 4.06 -0.08 2.72 3.52 -1.26 -0.47 118.95 128.62 2qk0 s ARG 80 Ca 0.05 0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.87 2qk0 s ARG 80 Cb -0.14 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 2qk0 s ARG 80 CO 0.04 0.43 -0.02 0.66 -0.81 0.00 0.00 175.30 175.59 2qk0 n TYR 81 N 2.89 0.00 -3.45 5.12 4.02 -0.21 -4.99 117.16 120.54 2qk0 n TYR 81 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.71 2qk0 n TYR 81 Cb 0.52 -0.34 0.01 0.00 -0.02 0.00 0.00 39.34 39.51 2qk0 n TYR 81 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2qk0 n PHE 82 N -2.46 -1.44 -3.84 -0.72 1.16 -0.88 -4.87 117.46 104.41 2qk0 n PHE 82 Ca -0.13 -0.87 -0.13 0.00 -1.87 0.00 0.00 57.45 54.45 2qk0 n PHE 82 Cb 0.70 0.37 -0.15 0.00 -1.61 0.00 0.00 39.48 38.79 2qk0 n PHE 82 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2qk0 s GLN 83 N -2.11 -0.01 0.23 3.97 0.74 -1.26 -4.16 119.66 117.06 2qk0 s GLN 83 Ca 0.08 0.06 -0.16 0.00 0.05 0.00 0.00 55.36 55.40 2qk0 s GLN 83 Cb -0.02 -0.07 0.06 0.00 1.10 0.00 0.00 33.01 34.08 2qk0 s GLN 83 CO 0.06 -0.05 0.79 0.00 -0.55 0.00 0.00 175.29 175.54 2qk0 n GLU 85 N -0.55 1.66 0.29 0.00 1.02 -1.26 -4.58 120.64 117.22 2qk0 n GLU 85 Ca -0.04 0.61 0.15 0.00 -0.02 0.00 0.00 57.16 57.86 2qk0 n GLU 85 Cb 0.50 -2.55 0.74 0.00 -0.02 0.00 0.00 31.44 30.10 2qk0 n GLU 85 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qk0 h PRO 86 N 1.40 0.00 -0.11 3.49 0.13 -1.90 -1.94 132.00 133.07 2qk0 h PRO 86 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2qk0 h PRO 86 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2qk0 h PRO 86 CO 0.57 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 2qk0 n LEU 87 N -3.00 2.42 -0.14 1.56 7.99 -1.26 -2.96 117.00 121.62 2qk0 n LEU 87 Ca 0.00 -2.23 0.06 0.00 -0.01 0.00 0.00 56.01 53.83 2qk0 n LEU 87 Cb 0.49 -0.16 -0.04 0.00 -0.11 0.00 0.00 43.42 43.60 2qk0 n LEU 87 CO 0.15 0.60 0.09 0.29 -1.51 0.00 0.00 177.39 177.01 2qk0 n LYS 88 N -0.38 2.42 -3.77 3.23 5.02 -0.73 0.80 118.16 124.75 2qk0 n LYS 88 Ca 0.07 -0.33 -0.36 0.00 -2.02 0.00 0.00 58.31 55.67 2qk0 n LYS 88 Cb 0.40 -1.13 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2qk0 n LYS 88 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qk0 s GLY 89 N -1.93 2.25 0.03 0.72 0.00 0.07 0.42 107.32 108.88 2qk0 s GLY 89 Ca 0.08 -0.54 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 2qk0 s GLY 89 CO 0.43 -0.28 0.28 -0.26 0.00 0.00 0.00 173.10 173.27 2qk0 s ILE 90 N -1.12 0.08 -0.10 0.90 -4.36 -0.83 -0.56 121.20 115.21 2qk0 s ILE 90 Ca 0.20 -0.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.96 2qk0 s ILE 90 Cb -0.13 -0.84 -0.01 0.00 1.25 0.00 0.00 42.46 42.73 2qk0 s ILE 90 CO 0.10 -0.36 -0.17 -0.36 0.24 0.00 0.00 174.94 174.38 2qk0 s PHE 91 N -2.20 2.69 0.10 1.37 0.40 -1.26 -0.99 117.98 118.09 2qk0 s PHE 91 Ca -0.08 -0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.57 2qk0 s PHE 91 Cb -0.02 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2qk0 s PHE 91 CO -0.01 -0.20 0.02 -0.08 0.70 0.00 0.00 175.22 175.65 2qk0 s THR 92 N 0.12 0.15 0.27 0.64 -1.32 -0.38 -4.94 115.64 110.18 2qk0 s THR 92 Ca -0.08 -1.87 -0.29 0.00 -1.21 0.00 0.00 61.69 58.23 2qk0 s THR 92 Cb -0.15 -1.84 -0.09 0.00 -1.51 0.00 0.00 72.50 68.90 2qk0 s THR 92 CO 0.05 -0.67 1.05 -0.13 -2.21 0.00 0.00 174.62 172.71 2qk0 s ARG 93 N -4.00 4.69 0.65 7.08 1.81 -1.26 -0.55 118.95 127.37 2qk0 s ARG 93 Ca 0.17 1.71 0.36 0.00 -1.72 0.00 0.00 55.73 56.26 2qk0 s ARG 93 Cb 0.08 -3.20 2.02 0.00 -0.45 0.00 0.00 34.95 33.39 2qk0 s ARG 93 CO -0.03 0.29 2.18 -1.35 -0.68 0.00 0.00 175.30 175.72 2qk0 h PRO 94 N 3.88 0.00 0.00 3.54 0.11 -1.90 0.34 132.00 137.97 2qk0 h PRO 94 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qk0 h PRO 94 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qk0 h PRO 94 CO 0.67 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.12 2qk0 h SER 95 N 0.00 0.00 -1.77 -2.05 4.64 -1.95 -3.44 113.55 108.99 2qk0 h SER 95 Ca 0.02 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.63 2qk0 h SER 95 Cb 0.29 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.14 2qk0 h SER 95 CO -0.00 0.00 0.95 0.29 -0.87 0.00 0.00 176.83 177.20 2qk0 n LYS 96 N -2.40 2.99 -3.69 4.77 5.02 0.11 -5.05 118.16 119.91 2qk0 n LYS 96 Ca 0.03 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 2qk0 n LYS 96 Cb 0.34 -2.27 -0.00 0.00 -0.02 0.00 0.00 35.03 33.07 2qk0 n LYS 96 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qk0 s THR 98 N -4.17 0.00 0.41 -0.18 -4.23 -0.16 -0.89 115.64 106.41 2qk0 s THR 98 Ca 0.53 -0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.78 2qk0 s THR 98 Cb 0.39 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.10 2qk0 s THR 98 CO -0.33 0.00 0.41 -0.13 -0.54 0.00 0.00 174.62 174.03 2qk0 s ARG 99 N -2.57 2.63 0.00 3.99 0.52 -1.26 -0.65 118.95 121.60 2qk0 s ARG 99 Ca 0.15 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 2qk0 s ARG 99 Cb 0.03 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 33.02 2qk0 s ARG 99 CO -0.02 -0.17 0.33 1.63 0.02 0.00 0.00 175.30 177.09