#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkx n LYS 6 N 0.00 3.07 -1.48 1.61 4.81 -1.21 -4.64 118.16 120.33 1qkx n LYS 6 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1qkx n LYS 6 Cb 0.00 -0.63 0.07 0.00 0.02 0.00 0.00 35.03 34.50 1qkx n LYS 6 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1qkx s GLU 7 N -0.91 2.47 0.13 1.64 -1.05 -1.26 -4.80 118.70 114.91 1qkx s GLU 7 Ca 0.00 0.91 0.06 0.00 -0.15 0.00 0.00 54.97 55.79 1qkx s GLU 7 Cb 0.00 -1.94 -0.04 0.00 -0.44 0.00 0.00 34.13 31.71 1qkx s GLU 7 CO 0.00 -1.42 0.02 -0.51 0.95 0.00 0.00 175.26 174.30 1qkx s LEU 8 N -5.73 3.46 0.09 1.83 1.43 -1.26 -0.39 118.68 118.12 1qkx s LEU 8 Ca 0.60 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1qkx s LEU 8 Cb -0.15 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1qkx s LEU 8 CO 0.55 0.14 -0.08 0.68 0.23 0.00 0.00 176.35 177.87 1qkx s VAL 9 N -1.49 0.75 -0.16 -1.59 -7.23 0.14 -1.12 120.40 109.71 1qkx s VAL 9 Ca 0.27 -1.68 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1qkx s VAL 9 Cb -0.11 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 1qkx s VAL 9 CO 0.19 -0.68 0.02 -0.22 -0.31 0.00 0.00 175.10 174.11 1qkx s LEU 10 N -2.57 3.61 -0.13 1.32 2.96 0.32 -0.66 118.68 123.53 1qkx s LEU 10 Ca 0.06 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 1qkx s LEU 10 Cb -0.00 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1qkx s LEU 10 CO -0.02 0.21 1.23 0.00 -1.32 0.00 0.00 176.35 176.46 1qkx s ALA 11 N 0.11 3.61 -0.29 5.97 0.00 -0.14 -0.58 121.76 130.44 1qkx s ALA 11 Ca 0.03 0.50 0.20 0.00 0.00 0.00 0.00 51.96 52.69 1qkx s ALA 11 Cb -0.13 -3.58 0.14 0.00 0.00 0.00 0.00 23.12 19.55 1qkx s ALA 11 CO 0.01 -1.04 1.35 -0.07 0.00 0.00 0.00 175.76 176.02 1qkx h LEU 12 N 9.22 0.00 -8.15 0.00 3.38 -0.95 -1.18 115.31 117.63 1qkx h LEU 12 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1qkx h LEU 12 Cb 1.12 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1qkx h LEU 12 CO 0.94 0.18 -0.31 -0.31 0.09 0.00 0.00 178.44 179.03 1qkx s TYR 13 N -3.15 0.45 0.58 1.13 2.02 -1.24 -4.84 117.35 112.29 1qkx s TYR 13 Ca 0.03 -0.80 -0.15 0.00 -0.37 0.00 0.00 57.07 55.78 1qkx s TYR 13 Cb 0.07 -0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1qkx s TYR 13 CO 0.73 -0.76 1.04 -0.51 -1.57 0.00 0.00 175.55 174.48 1qkx s ASP 14 N -2.99 5.96 -0.27 2.29 1.01 -1.26 -3.37 116.67 118.03 1qkx s ASP 14 Ca 0.20 1.74 -0.03 0.00 0.71 0.00 0.00 52.55 55.16 1qkx s ASP 14 Cb 0.03 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.59 1qkx s ASP 14 CO 0.02 -1.05 0.52 -0.47 0.21 0.00 0.00 175.17 174.40 1qkx s TYR 15 N -2.55 -1.23 -0.16 4.23 5.04 0.04 -4.89 117.35 117.82 1qkx s TYR 15 Ca 0.62 1.51 -0.17 0.00 -2.44 0.00 0.00 57.07 56.58 1qkx s TYR 15 Cb -0.14 0.40 -0.04 0.00 0.35 0.00 0.00 41.96 42.53 1qkx s TYR 15 CO 0.37 -0.75 0.46 -1.14 -1.34 0.00 0.00 175.55 173.15 1qkx s GLN 16 N 2.74 4.26 0.28 4.97 0.74 -1.26 -1.02 119.66 130.37 1qkx s GLN 16 Ca 0.12 0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.60 1qkx s GLN 16 Cb -0.14 -3.49 -0.13 0.00 1.10 0.00 0.00 33.01 30.35 1qkx s GLN 16 CO -0.18 0.05 1.26 -0.85 -0.55 0.00 0.00 175.29 175.01 1qkx n GLU 17 N 4.11 1.84 0.00 1.67 0.28 -1.26 -4.92 120.64 122.36 1qkx n GLU 17 Ca -0.07 0.65 0.04 0.00 -0.16 0.00 0.00 57.16 57.62 1qkx n GLU 17 Cb 0.51 -2.20 0.01 0.00 1.43 0.00 0.00 31.44 31.19 1qkx n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1qkx n LYS 18 N 1.23 1.31 -3.79 3.44 4.01 -1.26 -5.00 118.16 118.10 1qkx n LYS 18 Ca 0.09 -0.72 -0.10 0.00 -0.51 0.00 0.00 58.31 57.08 1qkx n LYS 18 Cb 0.32 -1.07 -0.05 0.00 -0.51 0.00 0.00 35.03 33.73 1qkx n LYS 18 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1qkx s SER 19 N -0.93 -0.14 0.39 4.39 1.04 -1.26 -5.06 113.70 112.13 1qkx s SER 19 Ca 0.08 -0.57 0.16 0.00 0.48 0.00 0.00 55.95 56.10 1qkx s SER 19 Cb 0.06 0.50 1.04 0.00 0.10 0.00 0.00 66.02 67.72 1qkx s SER 19 CO 0.15 -0.95 1.80 -0.65 0.98 0.00 0.00 173.24 174.57 1qkx h PRO 20 N 2.37 0.44 -0.01 4.02 0.11 -2.03 -1.56 132.00 135.34 1qkx h PRO 20 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1qkx h PRO 20 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qkx h PRO 20 CO 0.44 0.29 -0.09 0.54 -0.21 0.00 0.00 178.00 178.97 1qkx n ARG 21 N -4.61 0.90 -2.54 1.05 5.12 -1.26 -4.91 116.66 110.42 1qkx n ARG 21 Ca 0.23 -0.34 -0.22 0.00 -1.93 0.00 0.00 57.85 55.59 1qkx n ARG 21 Cb 0.78 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.63 1qkx n ARG 21 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1qkx s GLU 22 N -2.33 2.47 0.03 5.56 2.02 -0.59 -0.76 118.70 125.09 1qkx s GLU 22 Ca 0.33 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.67 1qkx s GLU 22 Cb 0.20 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1qkx s GLU 22 CO 0.44 -0.83 -0.05 0.54 0.02 0.00 0.00 175.26 175.38 1qkx s VAL 23 N -2.87 0.31 0.07 2.63 0.11 -0.97 -4.56 120.40 115.12 1qkx s VAL 23 Ca 0.58 -1.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 1qkx s VAL 23 Cb -0.10 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 1qkx s VAL 23 CO 0.40 -0.49 0.47 -0.89 -3.33 0.00 0.00 175.10 171.25 1qkx s THR 24 N -1.63 4.96 0.07 5.04 2.01 -1.26 -4.04 115.64 120.79 1qkx s THR 24 Ca -0.11 0.79 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 1qkx s THR 24 Cb -0.09 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1qkx s THR 24 CO -0.01 0.41 0.04 0.00 -0.69 0.00 0.00 174.62 174.37 1qkx s MET 25 N -1.54 0.72 0.08 4.92 0.23 -0.19 -4.91 119.30 118.61 1qkx s MET 25 Ca 0.31 -1.19 0.09 0.00 -1.03 0.00 0.00 55.69 53.87 1qkx s MET 25 Cb -0.16 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.36 1qkx s MET 25 CO 0.17 -0.17 -0.22 0.15 -2.03 0.00 0.00 175.02 172.91 1qkx s LYS 26 N -3.92 1.78 0.26 3.16 -0.14 -1.26 -0.78 119.74 118.83 1qkx s LYS 26 Ca 0.09 -1.14 -0.31 0.00 -1.36 0.00 0.00 55.97 53.25 1qkx s LYS 26 Cb 0.07 -2.05 -0.13 0.00 -1.68 0.00 0.00 37.83 34.04 1qkx s LYS 26 CO -0.08 0.50 1.37 1.17 -0.76 0.00 0.00 175.35 177.55 1qkx n LYS 27 N 1.31 2.03 0.00 1.68 4.81 -1.22 -1.59 118.16 125.18 1qkx n LYS 27 Ca -0.17 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1qkx n LYS 27 Cb 0.52 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.22 1qkx n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qkx n GLY 28 N 1.87 2.97 3.75 3.14 0.00 -0.45 -4.96 105.19 111.52 1qkx n GLY 28 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1qkx n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qkx s ASP 29 N -1.18 5.34 -0.28 1.61 1.01 -0.62 -4.72 116.67 117.82 1qkx s ASP 29 Ca 0.00 2.63 -0.06 0.00 0.71 0.00 0.00 52.55 55.82 1qkx s ASP 29 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1qkx s ASP 29 CO 0.00 -1.51 0.06 -0.63 0.21 0.00 0.00 175.17 173.30 1qkx s ILE 30 N -1.39 3.92 0.22 0.77 -1.09 -1.26 -0.97 121.20 121.41 1qkx s ILE 30 Ca 0.72 -0.63 0.10 0.00 -2.23 0.00 0.00 60.65 58.62 1qkx s ILE 30 Cb -0.37 -2.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1qkx s ILE 30 CO 0.43 0.14 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.40 1qkx s LEU 31 N 1.51 2.86 -0.28 2.97 1.43 0.17 -4.78 118.68 122.56 1qkx s LEU 31 Ca 0.03 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 1qkx s LEU 31 Cb -0.17 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1qkx s LEU 31 CO 0.02 0.07 0.46 -0.89 0.23 0.00 0.00 176.35 176.24 1qkx s THR 32 N -1.98 5.10 -0.30 5.49 2.01 -0.84 -0.68 115.64 124.44 1qkx s THR 32 Ca 0.26 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 1qkx s THR 32 Cb -0.07 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1qkx s THR 32 CO 0.15 0.07 1.51 -0.22 -0.69 0.00 0.00 174.62 175.44 1qkx s LEU 33 N 2.23 3.76 -0.10 4.42 2.96 0.48 -1.11 118.68 131.32 1qkx s LEU 33 Ca 0.18 1.27 -0.06 0.00 -0.22 0.00 0.00 54.13 55.30 1qkx s LEU 33 Cb -0.16 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.73 1qkx s LEU 33 CO 0.10 -1.32 0.46 -0.07 -1.32 0.00 0.00 176.35 174.20 1qkx h LEU 34 N 11.88 0.42 -6.95 -0.68 3.38 -0.40 -3.21 115.31 119.76 1qkx h LEU 34 Ca -0.30 -0.88 0.04 0.00 0.09 0.00 0.00 57.88 56.83 1qkx h LEU 34 Cb 1.13 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.52 1qkx h LEU 34 CO 1.04 1.78 -0.20 0.21 0.09 0.00 0.00 178.44 181.35 1qkx s ASN 35 N -7.02 -0.95 -0.21 -0.43 3.84 -0.89 -1.77 114.94 107.52 1qkx s ASN 35 Ca -0.20 1.38 0.12 0.00 0.21 0.00 0.00 52.86 54.38 1qkx s ASN 35 Cb 0.06 2.07 0.41 0.00 -0.55 0.00 0.00 41.25 43.25 1qkx s ASN 35 CO 0.79 -0.23 1.26 -1.54 -2.79 0.00 0.00 177.10 174.59 1qkx n SER 36 N 5.43 2.06 0.19 -4.21 3.41 -1.26 -0.87 113.62 118.38 1qkx n SER 36 Ca -0.10 -3.69 0.04 0.00 -0.26 0.00 0.00 58.87 54.86 1qkx n SER 36 Cb 0.49 -0.53 0.37 0.00 -0.26 0.00 0.00 64.21 64.29 1qkx n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1qkx h THR 37 N 0.83 1.07 -3.35 6.66 1.35 -1.96 -3.42 112.91 114.09 1qkx h THR 37 Ca 0.04 -1.38 -0.56 0.00 -0.55 0.00 0.00 66.41 63.95 1qkx h THR 37 Cb 1.13 1.79 -0.05 0.00 -1.73 0.00 0.00 68.15 69.29 1qkx h THR 37 CO 0.08 0.37 0.04 0.21 -0.25 0.00 0.00 175.52 175.96 1qkx s ASN 38 N -6.65 7.00 0.41 5.36 3.84 -1.26 -4.97 114.94 118.66 1qkx s ASN 38 Ca -0.02 1.19 0.13 0.00 0.21 0.00 0.00 52.86 54.38 1qkx s ASN 38 Cb 0.13 -2.39 0.88 0.00 -0.55 0.00 0.00 41.25 39.31 1qkx s ASN 38 CO 0.70 0.02 1.92 0.50 -2.79 0.00 0.00 177.10 177.45 1qkx h LYS 39 N 6.06 0.03 0.00 0.43 3.64 -2.00 -3.35 116.57 121.37 1qkx h LYS 39 Ca -0.43 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 58.61 1qkx h LYS 39 Cb 1.20 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1qkx h LYS 39 CO 0.72 0.27 -2.25 -0.25 -2.27 0.00 0.00 179.45 175.67 1qkx n ASP 40 N -4.24 0.90 -3.93 4.20 8.00 -1.26 -4.72 116.55 115.51 1qkx n ASP 40 Ca -0.02 -0.03 -0.26 0.00 0.71 0.00 0.00 54.79 55.19 1qkx n ASP 40 Cb 0.31 0.68 -0.17 0.00 -0.02 0.00 0.00 41.12 41.91 1qkx n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1qkx s TRP 41 N -2.44 1.49 -0.12 1.24 0.52 -1.26 -1.06 118.94 117.30 1qkx s TRP 41 Ca -0.13 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.23 1qkx s TRP 41 Cb 0.06 -1.21 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1qkx s TRP 41 CO 0.69 -0.48 0.03 -1.58 0.02 0.00 0.00 176.95 175.64 1qkx s TRP 42 N 1.53 3.23 -0.13 -1.98 0.51 -0.59 -4.40 118.94 117.12 1qkx s TRP 42 Ca 0.02 0.16 -0.23 0.00 -2.12 0.00 0.00 56.10 53.92 1qkx s TRP 42 Cb -0.13 -1.90 -0.03 0.00 -0.81 0.00 0.00 33.47 30.60 1qkx s TRP 42 CO -0.06 0.37 0.73 0.21 -0.51 0.00 0.00 176.95 177.69 1qkx s LYS 43 N -0.45 4.34 0.27 4.98 2.20 -0.05 -1.63 119.74 129.40 1qkx s LYS 43 Ca 0.09 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1qkx s LYS 43 Cb -0.12 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1qkx s LYS 43 CO 0.02 -0.13 0.07 0.14 -0.36 0.00 0.00 175.35 175.09 1qkx s VAL 44 N 1.47 0.78 -0.16 4.02 -7.23 0.41 0.32 120.40 120.01 1qkx s VAL 44 Ca 0.36 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1qkx s VAL 44 Cb -0.17 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.17 1qkx s VAL 44 CO 0.15 -0.05 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.04 1qkx s GLU 45 N -3.97 2.38 -0.26 4.82 2.12 -0.27 -1.35 118.70 122.17 1qkx s GLU 45 Ca 0.36 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 55.00 1qkx s GLU 45 Cb 0.08 -2.22 -0.00 0.00 0.26 0.00 0.00 34.13 32.24 1qkx s GLU 45 CO 0.13 -0.26 0.02 0.08 -0.54 0.00 0.00 175.26 174.69 1qkx s VAL 46 N 1.44 3.69 0.00 3.70 1.01 0.22 -1.98 120.40 128.47 1qkx s VAL 46 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1qkx s VAL 46 Cb -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1qkx s VAL 46 CO -0.11 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.24 1qkx n ALA 47 N 4.83 0.00 -1.65 5.51 0.00 -1.26 -0.10 120.51 127.84 1qkx n ALA 47 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1qkx n ALA 47 Cb 0.49 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.05 1qkx n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qkx n ASP 48 N 6.81 4.60 -4.29 0.00 2.03 -1.26 -4.97 116.55 119.48 1qkx n ASP 48 Ca 0.00 -3.78 -0.26 0.00 0.52 0.00 0.00 54.79 51.27 1qkx n ASP 48 Cb 0.00 -0.60 -0.14 0.00 -0.72 0.00 0.00 41.12 39.66 1qkx n ASP 48 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1qkx s ARG 49 N -3.52 1.40 0.10 -0.67 0.52 0.86 -5.15 118.95 112.49 1qkx s ARG 49 Ca 0.52 -1.05 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1qkx s ARG 49 Cb 0.43 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 1qkx s ARG 49 CO 0.01 0.40 -0.16 -0.65 0.02 0.00 0.00 175.30 174.92 1qkx s GLN 50 N -1.41 0.97 0.00 3.54 -0.21 -1.26 0.71 119.66 121.99 1qkx s GLN 50 Ca 0.09 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.36 1qkx s GLN 50 Cb -0.09 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.91 1qkx s GLN 50 CO 0.03 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 1qkx n GLY 51 N 0.99 -2.00 3.88 3.09 0.00 -0.46 -4.70 105.19 105.99 1qkx n GLY 51 Ca -0.19 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1qkx n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qkx s PHE 52 N -2.28 3.56 0.04 1.61 0.40 0.06 -0.45 117.98 120.92 1qkx s PHE 52 Ca 0.00 0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 56.92 1qkx s PHE 52 Cb 0.00 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1qkx s PHE 52 CO 0.00 0.56 -0.03 0.14 0.70 0.00 0.00 175.22 176.59 1qkx s VAL 53 N -1.39 0.21 0.19 -0.44 -7.23 -0.65 -2.29 120.40 108.81 1qkx s VAL 53 Ca 0.31 -1.61 -0.32 0.00 -1.81 0.00 0.00 61.98 58.55 1qkx s VAL 53 Cb -0.13 -1.24 -0.12 0.00 0.56 0.00 0.00 36.38 35.45 1qkx s VAL 53 CO 0.19 -0.89 1.73 -2.84 -0.31 0.00 0.00 175.10 172.98 1qkx s PRO 54 N -3.37 4.13 0.35 4.82 0.02 -1.26 -1.54 135.00 138.15 1qkx s PRO 54 Ca 0.02 2.60 0.07 0.00 0.02 0.00 0.00 61.00 63.71 1qkx s PRO 54 Cb 0.04 -3.15 0.77 0.00 0.02 0.00 0.00 34.50 32.18 1qkx s PRO 54 CO -0.08 -0.76 1.90 0.00 -0.33 0.00 0.00 177.00 177.73 1qkx h ALA 55 N 7.06 1.77 0.00 -1.55 0.00 -1.38 -1.40 119.26 123.76 1qkx h ALA 55 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qkx h ALA 55 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qkx h ALA 55 CO 0.96 0.04 0.00 0.00 0.00 0.00 0.00 179.25 180.25 1qkx n ALA 56 N -2.44 1.91 1.18 0.00 0.00 -1.26 -2.87 120.51 117.04 1qkx n ALA 56 Ca 0.15 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1qkx n ALA 56 Cb 0.37 -1.31 0.35 0.00 0.00 0.00 0.00 19.45 18.86 1qkx n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qkx n TYR 57 N -1.45 0.10 -4.29 0.00 4.02 -0.53 -4.90 117.16 110.12 1qkx n TYR 57 Ca 0.06 -0.05 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 1qkx n TYR 57 Cb 0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.42 1qkx n TYR 57 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1qkx s VAL 58 N -1.90 1.53 -0.09 -0.72 -7.23 -1.14 -0.23 120.40 110.62 1qkx s VAL 58 Ca 0.34 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1qkx s VAL 58 Cb 0.20 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 35.41 1qkx s VAL 58 CO 0.31 -0.45 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.78 1qkx s LYS 59 N -2.99 1.78 0.36 4.82 2.20 0.26 -4.90 119.74 121.26 1qkx s LYS 59 Ca 0.14 -0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 1qkx s LYS 59 Cb -0.04 -1.60 -0.11 0.00 -1.51 0.00 0.00 37.83 34.57 1qkx s LYS 59 CO 0.05 -0.11 1.50 1.63 -0.36 0.00 0.00 175.35 178.06 1qkx n LYS 60 N 4.33 2.64 0.18 4.03 5.02 -1.26 -0.52 118.16 132.58 1qkx n LYS 60 Ca -0.18 0.93 0.12 0.00 -2.02 0.00 0.00 58.31 57.16 1qkx n LYS 60 Cb 0.51 -2.66 0.23 0.00 -0.02 0.00 0.00 35.03 33.09 1qkx n LYS 60 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1qkx h LEU 61 N 3.35 0.00 -1.59 -0.35 3.38 -1.47 -3.46 115.31 115.17 1qkx h LEU 61 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1qkx h LEU 61 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1qkx h LEU 61 CO 0.67 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.68