#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkd s ILE 2 N 0.00 3.79 0.09 5.15 -1.09 -1.26 -0.38 121.20 127.51 1qkd s ILE 2 Ca 0.00 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 1qkd s ILE 2 Cb 0.00 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 1qkd s ILE 2 CO 0.00 0.50 -0.14 0.00 -1.23 0.00 0.00 174.94 174.07 1qkd s PHE 4 N -1.72 2.75 0.00 0.00 0.08 -1.26 -0.45 117.98 117.38 1qkd s PHE 4 Ca 0.03 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.62 1qkd s PHE 4 Cb -0.07 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1qkd s PHE 4 CO 0.02 -1.49 0.70 0.27 -0.10 0.00 0.00 175.22 174.62 1qkd n ASN 5 N -2.25 0.00 -4.84 1.36 6.94 -0.34 -2.85 115.26 113.28 1qkd n ASN 5 Ca 0.10 -1.42 -0.32 0.00 -0.02 0.00 0.00 54.58 52.91 1qkd n ASN 5 Cb 0.52 -0.08 -0.05 0.00 -2.36 0.00 0.00 39.78 37.81 1qkd n ASN 5 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1qkd s HIS 6 N 0.00 3.40 0.19 -2.53 -3.43 -1.25 -4.63 115.29 107.04 1qkd s HIS 6 Ca 0.00 1.41 -0.15 0.00 -0.80 0.00 0.00 55.06 55.52 1qkd s HIS 6 Cb 0.00 -2.72 -0.07 0.00 -1.43 0.00 0.00 32.58 28.36 1qkd s HIS 6 CO 0.00 -0.18 0.61 -0.65 -2.00 0.00 0.00 174.74 172.52 1qkd s GLN 7 N -3.59 4.02 0.00 -0.38 -0.21 -1.26 -4.03 119.66 114.21 1qkd s GLN 7 Ca 0.58 0.56 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1qkd s GLN 7 Cb -0.10 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.08 1qkd s GLN 7 CO 0.23 0.41 0.00 -1.13 -2.12 0.00 0.00 175.29 172.68 1qkd n SER 8 N 0.55 0.00 -1.62 5.90 3.41 0.71 -0.67 113.62 121.90 1qkd n SER 8 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1qkd n SER 8 Cb 0.52 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.83 1qkd n SER 8 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qkd n SER 9 N 2.44 5.08 -4.66 4.04 7.64 -1.26 -4.85 113.62 122.05 1qkd n SER 9 Ca 0.00 -2.74 -0.29 0.00 1.01 0.00 0.00 58.87 56.85 1qkd n SER 9 Cb 0.00 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 62.76 1qkd n SER 9 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qkd s GLN 10 N -2.38 0.54 0.43 1.43 -1.52 0.16 -4.92 119.66 113.39 1qkd s GLN 10 Ca 0.51 0.72 -0.26 0.00 -1.95 0.00 0.00 55.36 54.38 1qkd s GLN 10 Cb 0.37 -1.73 -0.09 0.00 -0.22 0.00 0.00 33.01 31.33 1qkd s GLN 10 CO 0.18 -2.71 1.37 -2.30 -0.25 0.00 0.00 175.29 171.59 1qkd n PRO 11 N -4.19 2.16 -1.83 2.91 -0.02 -1.26 -4.85 135.00 127.91 1qkd n PRO 11 Ca 0.06 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 1qkd n PRO 11 Cb 0.56 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1qkd n PRO 11 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qkd s GLN 12 N -2.30 4.16 0.06 -0.52 -0.21 -1.26 -4.79 119.66 114.79 1qkd s GLN 12 Ca 0.60 2.51 0.01 0.00 0.02 0.00 0.00 55.36 58.50 1qkd s GLN 12 Cb -0.48 -3.04 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 1qkd s GLN 12 CO 0.58 -0.58 -0.05 0.95 -2.12 0.00 0.00 175.29 174.07 1qkd s THR 13 N 0.01 0.41 0.16 -0.19 -4.23 -1.26 -5.01 115.64 105.52 1qkd s THR 13 Ca 0.62 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1qkd s THR 13 Cb -0.46 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 1qkd s THR 13 CO 0.47 -0.78 -0.03 0.42 -0.54 0.00 0.00 174.62 174.16 1qkd s THR 14 N -3.03 0.79 0.03 3.99 -4.23 -1.26 -1.20 115.64 110.73 1qkd s THR 14 Ca 0.02 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1qkd s THR 14 Cb 0.01 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 1qkd s THR 14 CO -0.05 -0.57 -0.07 -0.75 -0.54 0.00 0.00 174.62 172.64 1qkd s LYS 15 N -3.87 0.47 -0.25 3.99 2.20 0.41 -4.81 119.74 117.88 1qkd s LYS 15 Ca 0.21 -0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1qkd s LYS 15 Cb 0.05 -0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 1qkd s LYS 15 CO 0.02 0.06 0.37 0.99 -0.36 0.00 0.00 175.35 176.43 1qkd s THR 16 N -0.96 5.19 0.73 3.43 2.01 -1.26 -0.93 115.64 123.85 1qkd s THR 16 Ca -0.06 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.41 1qkd s THR 16 Cb -0.07 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1qkd s THR 16 CO 0.00 0.19 1.07 0.00 -0.69 0.00 0.00 174.62 175.20 1qkd n SER 18 N -3.19 1.60 -4.75 0.00 7.64 -1.26 -4.53 113.62 109.13 1qkd n SER 18 Ca 0.07 0.72 -0.37 0.00 1.01 0.00 0.00 58.87 60.29 1qkd n SER 18 Cb 0.55 -1.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.25 1qkd n SER 18 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1qkd s PRO 19 N -3.73 3.14 0.00 1.43 0.01 -1.26 -2.00 135.00 132.59 1qkd s PRO 19 Ca 0.79 2.01 0.00 0.00 0.01 0.00 0.00 61.00 63.81 1qkd s PRO 19 Cb -0.34 -2.15 0.00 0.00 0.01 0.00 0.00 34.50 32.03 1qkd s PRO 19 CO 0.45 -1.12 0.00 0.41 0.01 0.00 0.00 177.00 176.75 1qkd n GLY 20 N 0.63 1.23 3.67 0.52 0.00 -1.26 -5.03 105.19 104.95 1qkd n GLY 20 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1qkd n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qkd s GLU 21 N -0.52 4.07 0.00 1.61 2.56 -0.85 -4.96 118.70 120.62 1qkd s GLU 21 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.97 54.70 1qkd s GLU 21 Cb 0.00 -3.48 0.00 0.00 2.00 0.00 0.00 34.13 32.65 1qkd s GLU 21 CO 0.00 0.12 0.51 -1.13 -0.56 0.00 0.00 175.26 174.20 1qkd n SER 22 N 4.09 1.01 -4.70 -1.70 3.41 -1.26 -4.33 113.62 110.15 1qkd n SER 22 Ca -0.15 -1.07 -0.26 0.00 -0.26 0.00 0.00 58.87 57.12 1qkd n SER 22 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 1qkd n SER 22 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qkd s SER 23 N -0.07 4.96 0.21 4.04 0.15 -1.26 -4.37 113.70 117.36 1qkd s SER 23 Ca 0.00 -0.34 0.10 0.00 0.70 0.00 0.00 55.95 56.40 1qkd s SER 23 Cb 0.00 -1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 63.15 1qkd s SER 23 CO 0.00 0.08 -0.18 0.00 1.20 0.00 0.00 173.24 174.33 1qkd s TYR 25 N -2.38 0.74 -0.08 0.00 -0.85 0.54 -1.11 117.35 114.21 1qkd s TYR 25 Ca 0.22 -0.93 -0.00 0.00 -0.52 0.00 0.00 57.07 55.84 1qkd s TYR 25 Cb -0.04 -0.46 0.02 0.00 0.38 0.00 0.00 41.96 41.86 1qkd s TYR 25 CO 0.09 -0.22 -0.04 -0.80 -1.52 0.00 0.00 175.55 173.06 1qkd s ASN 26 N -2.87 1.75 -0.09 -0.18 0.01 -0.52 -1.95 114.94 111.09 1qkd s ASN 26 Ca 0.08 -0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 1qkd s ASN 26 Cb 0.05 -0.63 -0.00 0.00 0.41 0.00 0.00 41.25 41.08 1qkd s ASN 26 CO -0.06 -0.13 -0.23 -0.75 -1.51 0.00 0.00 177.10 174.42 1qkd s LYS 27 N 1.63 2.94 -0.01 -0.60 2.20 0.61 -1.26 119.74 125.26 1qkd s LYS 27 Ca 0.01 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.80 1qkd s LYS 27 Cb -0.13 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1qkd s LYS 27 CO -0.05 0.19 -0.10 -0.65 -0.36 0.00 0.00 175.35 174.38 1qkd s GLN 28 N 0.31 0.81 0.08 4.03 -0.21 0.07 -0.32 119.66 124.44 1qkd s GLN 28 Ca -0.17 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.83 1qkd s GLN 28 Cb -0.18 -0.79 0.01 0.00 1.00 0.00 0.00 33.01 33.05 1qkd s GLN 28 CO 0.08 0.22 0.13 -2.67 -2.12 0.00 0.00 175.29 170.93 1qkd n TRP 29 N 2.83 -0.90 -4.08 0.91 2.14 -0.61 -1.60 117.44 116.14 1qkd n TRP 29 Ca -0.14 -0.49 -0.11 0.00 2.07 0.00 0.00 57.50 58.84 1qkd n TRP 29 Cb 0.57 0.15 -0.11 0.00 -0.81 0.00 0.00 31.31 31.11 1qkd n TRP 29 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1qkd s SER 30 N -1.48 0.81 0.14 -0.67 0.01 -1.26 -0.56 113.70 110.69 1qkd s SER 30 Ca 0.05 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1qkd s SER 30 Cb -0.01 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1qkd s SER 30 CO 0.04 -0.31 0.19 -0.90 0.41 0.00 0.00 173.24 172.66 1qkd n ASP 31 N 1.01 -0.52 0.04 2.44 5.68 -0.21 -4.93 116.55 120.06 1qkd n ASP 31 Ca -0.20 -1.74 0.21 0.00 -0.50 0.00 0.00 54.79 52.56 1qkd n ASP 31 Cb 0.57 0.98 0.73 0.00 -1.14 0.00 0.00 41.12 42.26 1qkd n ASP 31 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1qkd h PHE 32 N 1.39 0.00 0.00 2.11 -0.00 -2.02 0.88 116.94 119.30 1qkd h PHE 32 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.86 1qkd h PHE 32 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.41 1qkd h PHE 32 CO 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 178.31 178.30 1qkd h ARG 33 N 0.00 0.00 0.00 6.09 3.08 -2.02 -3.49 114.38 118.04 1qkd h ARG 33 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1qkd h ARG 33 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1qkd h ARG 33 CO -0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1qkd n GLY 34 N 0.56 0.31 3.71 0.04 0.00 0.30 -5.03 105.19 105.07 1qkd n GLY 34 Ca 0.02 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1qkd n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qkd s THR 35 N -1.66 4.91 -0.14 2.61 2.01 -1.26 -1.05 115.64 121.06 1qkd s THR 35 Ca 0.00 1.84 -0.02 0.00 0.31 0.00 0.00 61.69 63.81 1qkd s THR 35 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1qkd s THR 35 CO 0.00 0.16 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.38 1qkd s ILE 36 N 1.16 3.53 -0.08 1.82 -1.09 0.28 -4.88 121.20 121.94 1qkd s ILE 36 Ca 0.46 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1qkd s ILE 36 Cb -0.19 -2.52 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1qkd s ILE 36 CO 0.23 0.51 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.65 1qkd s ILE 37 N 0.32 1.47 -0.08 2.92 1.01 -1.26 -1.57 121.20 124.01 1qkd s ILE 37 Ca -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1qkd s ILE 37 Cb -0.15 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1qkd s ILE 37 CO 0.04 0.43 -0.10 -0.70 0.00 0.00 0.00 174.94 174.61 1qkd s GLU 38 N 0.61 2.90 0.05 2.79 2.12 0.56 -0.20 118.70 127.52 1qkd s GLU 38 Ca -0.15 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 54.60 1qkd s GLU 38 Cb -0.16 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1qkd s GLU 38 CO 0.05 0.51 -0.14 1.03 -0.54 0.00 0.00 175.26 176.17 1qkd s ARG 39 N -0.41 0.87 0.00 4.30 0.52 -1.26 -0.28 118.95 122.69 1qkd s ARG 39 Ca 0.05 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1qkd s ARG 39 Cb -0.12 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.48 1qkd s ARG 39 CO 0.02 0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1qkd n GLY 40 N 1.70 0.75 3.87 -3.53 0.00 -0.82 -4.35 105.19 102.81 1qkd n GLY 40 Ca -0.19 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1qkd n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkd n GLY 42 N 0.45 -1.70 2.63 0.00 0.00 0.22 -4.73 105.19 102.07 1qkd n GLY 42 Ca -0.04 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 1qkd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkd s PRO 44 N 0.67 0.91 0.18 0.00 0.04 -1.26 -5.05 135.00 130.49 1qkd s PRO 44 Ca 0.29 0.45 -0.05 0.00 0.04 0.00 0.00 61.00 61.73 1qkd s PRO 44 Cb -0.01 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1qkd s PRO 44 CO -0.11 -2.39 0.43 0.95 0.04 0.00 0.00 177.00 175.92 1qkd s THR 45 N -3.11 5.12 0.25 1.26 -4.23 -1.26 -5.07 115.64 108.60 1qkd s THR 45 Ca 0.64 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.24 1qkd s THR 45 Cb -0.17 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1qkd s THR 45 CO 0.55 -0.06 -0.03 0.68 -0.54 0.00 0.00 174.62 175.23 1qkd s VAL 46 N -1.77 1.33 0.55 2.29 -7.23 -1.26 -5.12 120.40 109.18 1qkd s VAL 46 Ca 0.42 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 58.33 1qkd s VAL 46 Cb -0.12 -2.39 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 1qkd s VAL 46 CO 0.25 -0.31 1.11 -0.54 -0.31 0.00 0.00 175.10 175.30 1qkd s LYS 47 N -3.80 3.36 0.31 4.82 1.02 -1.26 -4.92 119.74 119.28 1qkd s LYS 47 Ca 0.29 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.52 1qkd s LYS 47 Cb 0.05 -2.01 -0.12 0.00 -0.52 0.00 0.00 37.83 35.23 1qkd s LYS 47 CO 0.10 -0.83 1.57 -2.30 -0.92 0.00 0.00 175.35 172.98 1qkd n PRO 48 N -1.39 2.69 0.00 -1.68 -0.02 -1.26 -1.55 135.00 131.80 1qkd n PRO 48 Ca 0.11 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1qkd n PRO 48 Cb 0.51 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1qkd n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkd n GLY 49 N 1.77 2.13 3.72 -1.23 0.00 -1.26 -5.06 105.19 105.27 1qkd n GLY 49 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1qkd n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qkd s ILE 50 N -2.24 4.73 -0.06 -0.61 1.01 -0.60 -4.96 121.20 118.47 1qkd s ILE 50 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 60.65 62.27 1qkd s ILE 50 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1qkd s ILE 50 CO 0.00 0.27 0.94 -0.54 0.00 0.00 0.00 174.94 175.60 1qkd s LYS 51 N 0.41 4.48 -0.04 2.79 1.02 -0.63 -4.87 119.74 122.90 1qkd s LYS 51 Ca 0.46 1.30 0.03 0.00 0.02 0.00 0.00 55.97 57.78 1qkd s LYS 51 Cb -0.21 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1qkd s LYS 51 CO 0.27 -0.14 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.25 1qkd s LEU 52 N 1.38 1.83 -0.01 3.17 2.96 -1.26 -0.75 118.68 125.99 1qkd s LEU 52 Ca 0.48 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1qkd s LEU 52 Cb -0.19 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 1qkd s LEU 52 CO 0.22 0.10 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.32 1qkd s SER 53 N 0.19 1.12 0.01 3.68 1.04 -0.39 -5.01 113.70 114.33 1qkd s SER 53 Ca -0.05 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.27 1qkd s SER 53 Cb -0.11 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1qkd s SER 53 CO 0.02 0.11 -0.18 0.00 0.98 0.00 0.00 173.24 174.17 1qkd n GLU 56 N 1.10 3.33 -3.89 0.00 -0.00 -1.26 -0.89 120.64 119.02 1qkd n GLU 56 Ca -0.21 -4.25 -0.09 0.00 -0.00 0.00 0.00 57.16 52.62 1qkd n GLU 56 Cb 0.57 -2.26 -0.07 0.00 -0.00 0.00 0.00 31.44 29.68 1qkd n GLU 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1qkd s SER 57 N -3.10 0.11 0.31 -1.84 1.04 -1.26 -4.99 113.70 103.97 1qkd s SER 57 Ca 0.50 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 1qkd s SER 57 Cb 0.41 0.36 -0.13 0.00 0.10 0.00 0.00 66.02 66.76 1qkd s SER 57 CO -0.18 -0.76 1.30 -0.62 0.98 0.00 0.00 173.24 173.96 1qkd n GLU 58 N -0.09 2.04 -4.10 4.02 -0.58 -1.26 -2.71 120.64 117.94 1qkd n GLU 58 Ca -0.13 0.72 -0.28 0.00 -0.42 0.00 0.00 57.16 57.05 1qkd n GLU 58 Cb 0.63 -2.30 -0.09 0.00 -0.57 0.00 0.00 31.44 29.11 1qkd n GLU 58 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1qkd n VAL 59 N 0.77 -0.91 0.85 2.62 0.24 0.10 -4.82 118.33 117.18 1qkd n VAL 59 Ca 0.07 -0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1qkd n VAL 59 Cb 0.34 -0.91 0.18 0.00 -1.47 0.00 0.00 33.84 31.99 1qkd n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qkd n ASN 61 N -1.69 6.38 0.00 0.00 6.94 -1.26 -4.97 115.26 120.66 1qkd n ASN 61 Ca 0.04 -3.41 0.00 0.00 -0.02 0.00 0.00 54.58 51.20 1qkd n ASN 61 Cb 0.37 -0.96 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 1qkd n ASN 61 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77