#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqi s VAL 2 N 0.00 0.02 -0.28 2.03 -7.23 -1.25 -2.53 120.40 111.16 1lqi s VAL 2 Ca 0.00 -0.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 1lqi s VAL 2 Cb 0.00 -0.62 0.09 0.00 0.56 0.00 0.00 36.38 36.42 1lqi s VAL 2 CO 0.00 -0.10 0.72 0.00 -0.31 0.00 0.00 175.10 175.41 1lqi s ARG 3 N -0.46 0.65 -0.33 4.82 1.70 0.90 -4.82 118.95 121.41 1lqi s ARG 3 Ca -0.06 1.19 -0.18 0.00 -0.47 0.00 0.00 55.73 56.21 1lqi s ARG 3 Cb -0.04 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 1lqi s ARG 3 CO 0.03 -0.15 0.53 -0.51 -1.08 0.00 0.00 175.30 174.12 1lqi s ASP 4 N 1.78 6.36 0.10 -2.89 1.01 -1.26 -1.59 116.67 120.18 1lqi s ASP 4 Ca -0.09 0.12 -0.07 0.00 0.71 0.00 0.00 52.55 53.22 1lqi s ASP 4 Cb -0.06 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1lqi s ASP 4 CO -0.19 -0.46 0.36 0.00 0.21 0.00 0.00 175.17 175.09 1lqi n ALA 5 N 5.75 -0.90 -2.58 5.23 0.00 -1.04 -4.97 120.51 122.01 1lqi n ALA 5 Ca -0.04 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1lqi n ALA 5 Cb 0.49 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 1lqi n ALA 5 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lqi s TYR 6 N -5.23 2.89 0.25 0.00 1.51 -1.26 -1.69 117.35 113.82 1lqi s TYR 6 Ca 0.08 0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 56.37 1lqi s TYR 6 Cb -0.01 -4.15 -0.14 0.00 -0.11 0.00 0.00 41.96 37.55 1lqi s TYR 6 CO 0.03 -1.16 1.15 1.51 -1.11 0.00 0.00 175.55 175.97 1lqi n ILE 7 N 6.57 1.52 -3.65 2.71 3.06 -1.17 -1.24 119.36 127.15 1lqi n ILE 7 Ca 0.09 -0.38 -0.21 0.00 -2.50 0.00 0.00 62.75 59.75 1lqi n ILE 7 Cb 0.49 -1.10 -0.03 0.00 0.54 0.00 0.00 39.64 39.54 1lqi n ILE 7 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1lqi s ALA 8 N -0.65 3.99 0.00 1.51 0.00 -1.03 -3.70 121.76 121.87 1lqi s ALA 8 Ca 0.64 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1lqi s ALA 8 Cb -0.72 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1lqi s ALA 8 CO 0.56 -0.10 0.00 1.63 0.00 0.00 0.00 175.76 177.85 1lqi n LYS 9 N -1.48 3.70 -0.33 0.00 5.02 0.50 -4.78 118.16 120.78 1lqi n LYS 9 Ca 0.01 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.50 1lqi n LYS 9 Cb 0.60 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 36.03 1lqi n LYS 9 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1lqi h ASN 10 N 0.00 0.52 -2.20 4.39 -1.07 -2.00 -2.78 115.58 112.44 1lqi h ASN 10 Ca 0.00 0.17 -0.56 0.00 0.07 0.00 0.00 56.30 55.98 1lqi h ASN 10 Cb 0.00 0.11 -0.41 0.00 -2.07 0.00 0.00 38.32 35.94 1lqi h ASN 10 CO 0.00 -0.04 -0.80 -1.22 0.07 0.00 0.00 177.43 175.44 1lqi n TYR 11 N -5.00 2.93 -2.27 4.14 4.02 -1.26 -4.90 117.16 114.81 1lqi n TYR 11 Ca 0.28 -3.95 -0.19 0.00 -0.01 0.00 0.00 57.90 54.03 1lqi n TYR 11 Cb 0.85 -0.47 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1lqi n TYR 11 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1lqi n ASN 12 N -0.09 -5.48 -4.86 7.72 5.15 -1.05 -2.29 115.26 114.36 1lqi n ASN 12 Ca 0.29 0.10 -0.37 0.00 -0.60 0.00 0.00 54.58 54.00 1lqi n ASN 12 Cb 0.47 -4.62 -0.06 0.00 -0.53 0.00 0.00 39.78 35.04 1lqi n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lqi s VAL 14 N -0.92 2.90 -0.80 0.00 -7.23 -1.26 0.19 120.40 113.27 1lqi s VAL 14 Ca 0.16 0.29 -0.18 0.00 -1.81 0.00 0.00 61.98 60.45 1lqi s VAL 14 Cb -0.13 -3.23 0.15 0.00 0.56 0.00 0.00 36.38 33.73 1lqi s VAL 14 CO 0.05 -0.38 0.90 -0.31 -0.31 0.00 0.00 175.10 175.06 1lqi s TYR 15 N -3.38 3.25 0.18 2.82 1.51 -1.24 -4.81 117.35 115.68 1lqi s TYR 15 Ca 0.60 -1.42 -0.30 0.00 -1.01 0.00 0.00 57.07 54.94 1lqi s TYR 15 Cb -0.12 -4.08 -0.09 0.00 -0.11 0.00 0.00 41.96 37.57 1lqi s TYR 15 CO 0.51 -1.30 1.35 -1.21 -1.11 0.00 0.00 175.55 173.79 1lqi s GLU 16 N 2.02 4.35 0.00 -0.62 2.02 -1.25 -3.47 118.70 121.75 1lqi s GLU 16 Ca 0.22 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1lqi s GLU 16 Cb -0.12 -3.20 -0.00 0.00 0.10 0.00 0.00 34.13 30.91 1lqi s GLU 16 CO -0.04 -0.32 0.00 0.00 0.02 0.00 0.00 175.26 174.91 1lqi n PHE 18 N -0.00 0.00 -3.76 0.00 7.35 -1.26 -4.95 117.46 114.84 1lqi n PHE 18 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1lqi n PHE 18 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.74 1lqi n PHE 18 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1lqi s ARG 19 N -0.58 0.52 0.58 -4.13 0.52 -1.26 -5.01 118.95 109.60 1lqi s ARG 19 Ca 0.00 0.19 0.30 0.00 -0.52 0.00 0.00 55.73 55.70 1lqi s ARG 19 Cb 0.00 0.24 1.41 0.00 0.52 0.00 0.00 34.95 37.13 1lqi s ARG 19 CO 0.00 -0.11 1.80 -0.44 0.02 0.00 0.00 175.30 176.58 1lqi h ASP 20 N 4.84 0.00 -0.34 0.23 5.19 -1.95 -0.27 116.42 124.12 1lqi h ASP 20 Ca -0.28 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1lqi h ASP 20 Cb 1.18 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 1lqi h ASP 20 CO 0.34 0.00 0.03 0.00 -3.12 0.00 0.00 179.24 176.48 1lqi h ALA 21 N 1.33 0.33 -0.01 3.45 0.00 -1.95 -2.64 119.26 119.78 1lqi h ALA 21 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1lqi h ALA 21 Cb 1.59 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1lqi h ALA 21 CO -0.00 -0.38 -0.41 -0.92 0.00 0.00 0.00 179.25 177.54 1lqi h TYR 22 N 0.13 -1.21 -0.74 0.00 3.20 -1.44 -2.56 116.97 114.35 1lqi h TYR 22 Ca 0.17 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1lqi h TYR 22 Cb 0.21 0.53 -0.09 0.00 1.54 0.00 0.00 36.73 38.92 1lqi h TYR 22 CO -0.22 -0.44 -0.44 0.00 -1.64 0.00 0.00 178.16 175.43 1lqi n ASN 24 N -4.67 -0.18 -0.19 0.00 4.05 -0.99 0.83 115.26 114.11 1lqi n ASN 24 Ca 0.01 1.70 -0.10 0.00 0.45 0.00 0.00 54.58 56.64 1lqi n ASN 24 Cb 0.19 -0.59 0.01 0.00 1.23 0.00 0.00 39.78 40.62 1lqi n ASN 24 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1lqi h GLU 25 N 0.00 1.02 0.12 1.20 5.08 -0.07 -2.69 114.58 119.25 1lqi h GLU 25 Ca 0.57 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1lqi h GLU 25 Cb 1.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1lqi h GLU 25 CO -0.96 1.04 -0.06 1.25 -1.00 0.00 0.00 179.01 179.29 1lqi h LEU 26 N 0.90 -0.14 -0.76 1.33 5.85 0.18 -0.67 115.31 122.01 1lqi h LEU 26 Ca 0.15 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1lqi h LEU 26 Cb 0.62 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 1lqi h LEU 26 CO 0.04 -0.07 -0.45 0.00 -0.34 0.00 0.00 178.44 177.62 1lqi h THR 28 N 0.00 0.87 -0.31 0.00 1.35 -1.57 0.37 112.91 113.62 1lqi h THR 28 Ca 0.12 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 1lqi h THR 28 Cb 0.31 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 1lqi h THR 28 CO -0.71 0.11 0.08 0.11 -0.25 0.00 0.00 175.52 174.86 1lqi h LYS 29 N 0.60 0.44 -0.00 4.72 1.57 0.22 -1.01 116.57 123.11 1lqi h LYS 29 Ca 0.38 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1lqi h LYS 29 Cb 0.65 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1lqi h LYS 29 CO -0.15 0.41 -0.09 0.09 -0.57 0.00 0.00 179.45 179.14 1lqi n ASN 30 N -4.37 0.19 0.00 0.86 3.02 -0.01 -4.86 115.26 110.10 1lqi n ASN 30 Ca 0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1lqi n ASN 30 Cb 0.17 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1lqi n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqi n GLY 31 N 1.38 1.42 0.29 7.41 0.00 -0.38 -4.58 105.19 110.73 1lqi n GLY 31 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1lqi n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqi n ALA 32 N -1.51 0.09 -0.09 4.61 0.00 -0.45 -4.14 120.51 119.02 1lqi n ALA 32 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1lqi n ALA 32 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1lqi n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1lqi n SER 33 N -2.95 1.85 -3.65 0.00 2.88 -1.03 -4.23 113.62 106.49 1lqi n SER 33 Ca 0.01 0.50 -0.04 0.00 -1.33 0.00 0.00 58.87 58.01 1lqi n SER 33 Cb 0.05 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 1lqi n SER 33 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1lqi s SER 34 N -6.39 -0.21 0.46 -3.46 0.01 -1.25 -4.58 113.70 98.28 1lqi s SER 34 Ca -0.24 0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.45 1lqi s SER 34 Cb 0.05 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 1lqi s SER 34 CO 0.42 -0.07 0.03 -0.83 0.41 0.00 0.00 173.24 173.21 1lqi s GLY 35 N 0.28 2.73 -0.12 3.44 0.00 -1.26 -1.34 107.32 111.06 1lqi s GLY 35 Ca 0.03 -1.36 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 1lqi s GLY 35 CO -0.12 -2.13 0.31 -2.52 0.00 0.00 0.00 173.10 168.64 1lqi s TYR 36 N -2.78 -0.37 0.41 1.90 -0.85 -0.46 -2.91 117.35 112.29 1lqi s TYR 36 Ca 0.22 0.88 -0.24 0.00 -0.52 0.00 0.00 57.07 57.40 1lqi s TYR 36 Cb 0.05 0.12 -0.08 0.00 0.38 0.00 0.00 41.96 42.43 1lqi s TYR 36 CO 0.11 -0.19 1.16 0.00 -1.52 0.00 0.00 175.55 175.11 1lqi s GLN 38 N -2.42 1.89 0.29 0.00 2.00 -0.65 -4.87 119.66 115.90 1lqi s GLN 38 Ca 0.59 -0.99 -0.18 0.00 -2.00 0.00 0.00 55.36 52.78 1lqi s GLN 38 Cb -0.29 -2.57 -0.09 0.00 0.80 0.00 0.00 33.01 30.86 1lqi s GLN 38 CO 0.36 -0.52 0.76 -1.58 -0.50 0.00 0.00 175.29 173.81 1lqi s TRP 39 N 1.35 3.51 0.24 1.67 0.23 -1.24 -2.26 118.94 122.44 1lqi s TRP 39 Ca -0.04 1.36 0.00 0.00 -2.03 0.00 0.00 56.10 55.38 1lqi s TRP 39 Cb -0.18 -2.62 0.00 0.00 0.03 0.00 0.00 33.47 30.70 1lqi s TRP 39 CO -0.07 0.19 0.00 0.00 0.96 0.00 0.00 176.95 178.03 1lqi n ALA 40 N 0.14 -1.93 0.00 0.98 0.00 0.36 -4.87 120.51 115.19 1lqi n ALA 40 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1lqi n ALA 40 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1lqi n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqi n GLY 41 N 1.67 -1.10 0.49 0.00 0.00 -1.25 -4.59 105.19 100.41 1lqi n GLY 41 Ca 0.00 -1.55 0.31 0.00 0.00 0.00 0.00 46.02 44.78 1lqi n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lqi h LYS 42 N 2.61 0.11 0.00 1.61 1.57 -1.97 0.50 116.57 120.99 1lqi h LYS 42 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1lqi h LYS 42 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1lqi h LYS 42 CO 0.00 0.08 -1.87 2.48 -0.57 0.00 0.00 179.45 179.56 1lqi n TYR 43 N -4.33 0.26 0.00 -1.35 0.18 -1.26 -5.03 117.16 105.63 1lqi n TYR 43 Ca 0.26 0.08 0.00 0.00 1.88 0.00 0.00 57.90 60.12 1lqi n TYR 43 Cb 1.13 -0.75 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 1lqi n TYR 43 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1lqi n GLY 44 N 1.37 1.71 2.95 -7.48 0.00 0.17 -4.30 105.19 99.62 1lqi n GLY 44 Ca -0.10 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 1lqi n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lqi n ASN 45 N 6.18 4.91 0.00 1.61 4.13 -1.25 0.14 115.26 130.98 1lqi n ASN 45 Ca 0.00 -3.28 0.00 0.00 1.68 0.00 0.00 54.58 52.98 1lqi n ASN 45 Cb 0.00 -1.07 0.00 0.00 -1.54 0.00 0.00 39.78 37.17 1lqi n ASN 45 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lqi n ALA 46 N 1.72 0.00 -3.67 5.41 0.00 -0.96 -3.85 120.51 119.17 1lqi n ALA 46 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 1lqi n ALA 46 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 1lqi n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lqi s TRP 48 N 2.40 2.88 -0.07 0.00 -0.11 -0.14 -3.06 118.94 120.83 1lqi s TRP 48 Ca -0.01 -0.10 -0.18 0.00 1.22 0.00 0.00 56.10 57.03 1lqi s TRP 48 Cb -0.12 -3.89 -0.05 0.00 -1.50 0.00 0.00 33.47 27.91 1lqi s TRP 48 CO -0.10 -1.22 0.50 0.00 -4.62 0.00 0.00 176.95 171.50 1lqi s TYR 50 N 0.14 3.46 -1.23 0.00 2.02 -0.45 -2.49 117.35 118.81 1lqi s TYR 50 Ca 0.27 0.57 -0.21 0.00 -0.37 0.00 0.00 57.07 57.33 1lqi s TYR 50 Cb -0.16 -2.23 0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1lqi s TYR 50 CO 0.13 -0.23 0.39 0.00 -1.57 0.00 0.00 175.55 174.27 1lqi n ALA 51 N -2.13 -2.27 -2.33 3.71 0.00 -1.26 -2.48 120.51 113.75 1lqi n ALA 51 Ca -0.01 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 1lqi n ALA 51 Cb 0.56 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 1lqi n ALA 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lqi s LEU 52 N -7.20 4.47 0.53 0.00 2.96 -0.62 -3.09 118.68 115.73 1lqi s LEU 52 Ca 0.29 1.45 -0.22 0.00 -0.22 0.00 0.00 54.13 55.43 1lqi s LEU 52 Cb -0.16 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1lqi s LEU 52 CO 0.90 0.06 1.36 -2.16 -1.32 0.00 0.00 176.35 175.20 1lqi s PRO 53 N -0.28 3.24 0.00 0.98 0.04 -1.26 -0.07 135.00 137.66 1lqi s PRO 53 Ca 0.37 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.70 1lqi s PRO 53 Cb -0.21 -2.32 0.17 0.00 0.04 0.00 0.00 34.50 32.18 1lqi s PRO 53 CO 0.23 -1.11 1.04 -0.25 0.04 0.00 0.00 177.00 176.94 1lqi n ASP 54 N -0.88 0.00 0.00 6.66 9.92 -1.05 -1.49 116.55 129.71 1lqi n ASP 54 Ca 0.09 0.38 0.12 0.00 -0.53 0.00 0.00 54.79 54.86 1lqi n ASP 54 Cb 0.45 -0.40 0.74 0.00 -0.64 0.00 0.00 41.12 41.26 1lqi n ASP 54 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1lqi n ASN 55 N -1.40 0.00 -4.09 -2.24 6.94 -1.26 -4.68 115.26 108.52 1lqi n ASN 55 Ca 0.01 -1.22 -0.30 0.00 -0.02 0.00 0.00 54.58 53.05 1lqi n ASN 55 Cb 0.04 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.29 1lqi n ASN 55 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1lqi s VAL 56 N -2.00 1.71 0.71 3.53 1.01 -0.55 -5.12 120.40 119.69 1lqi s VAL 56 Ca 0.37 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1lqi s VAL 56 Cb 0.17 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1lqi s VAL 56 CO 0.29 0.48 1.07 -2.16 0.00 0.00 0.00 175.10 174.78 1lqi s PRO 57 N 1.01 2.78 0.00 2.72 0.04 -1.26 -4.89 135.00 135.39 1lqi s PRO 57 Ca -0.05 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1lqi s PRO 57 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1lqi s PRO 57 CO -0.03 -1.22 0.00 0.44 0.04 0.00 0.00 177.00 176.23 1lqi n ILE 58 N -3.21 0.00 -2.16 0.56 -6.64 -1.26 -2.47 119.36 104.17 1lqi n ILE 58 Ca 0.08 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.63 1lqi n ILE 58 Cb 0.54 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.71 1lqi n ILE 58 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1lqi s ARG 59 N -1.00 4.22 0.36 6.28 1.81 -0.38 -4.34 118.95 125.91 1lqi s ARG 59 Ca 0.00 2.01 0.07 0.00 -1.72 0.00 0.00 55.73 56.09 1lqi s ARG 59 Cb 0.00 -3.80 -0.01 0.00 -0.45 0.00 0.00 34.95 30.68 1lqi s ARG 59 CO 0.00 -0.73 0.42 0.14 -0.68 0.00 0.00 175.30 174.45 1lqi s VAL 60 N 3.40 3.47 -0.95 3.52 -7.23 -1.26 -4.96 120.40 116.38 1lqi s VAL 60 Ca 0.66 -1.17 -0.24 0.00 -1.81 0.00 0.00 61.98 59.42 1lqi s VAL 60 Cb -0.30 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 1lqi s VAL 60 CO 0.25 -0.11 1.94 -2.16 -0.31 0.00 0.00 175.10 174.72 1lqi s PRO 61 N -4.15 2.55 0.00 4.82 0.04 -1.26 -4.68 135.00 132.32 1lqi s PRO 61 Ca 0.46 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1lqi s PRO 61 Cb -0.07 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1lqi s PRO 61 CO 0.30 -3.48 0.00 0.41 0.04 0.00 0.00 177.00 174.27 1lqi n GLY 62 N 6.68 -0.93 0.00 0.56 0.00 -1.26 -5.17 105.19 105.06 1lqi n GLY 62 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1lqi n GLY 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lqi n LYS 63 N 0.00 3.95 -3.88 1.61 2.85 -1.26 -5.17 118.16 116.26 1lqi n LYS 63 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1lqi n LYS 63 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1lqi n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35