#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqq s ARG 2 N 0.00 1.80 -0.14 7.34 3.03 0.16 -4.83 118.95 126.31 1lqq s ARG 2 Ca 0.00 -1.45 0.02 0.00 2.03 0.00 0.00 55.73 56.34 1lqq s ARG 2 Cb 0.00 0.49 0.01 0.00 -1.03 0.00 0.00 34.95 34.43 1lqq s ARG 2 CO 0.00 -0.77 -0.21 -0.51 -1.13 0.00 0.00 175.30 172.68 1lqq s ASP 3 N -3.10 3.04 0.00 -2.89 1.01 -1.26 0.46 116.67 113.94 1lqq s ASP 3 Ca 0.24 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1lqq s ASP 3 Cb -0.02 -1.41 0.00 0.00 1.01 0.00 0.00 42.92 42.50 1lqq s ASP 3 CO 0.13 0.07 0.00 0.00 0.21 0.00 0.00 175.17 175.58 1lqq n ALA 4 N 4.12 0.00 -2.58 5.23 0.00 -1.05 -4.98 120.51 121.25 1lqq n ALA 4 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1lqq n ALA 4 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1lqq n ALA 4 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lqq s TYR 5 N -2.00 2.99 0.35 0.00 1.51 -1.26 -1.26 117.35 117.68 1lqq s TYR 5 Ca 0.00 1.05 -0.27 0.00 -1.01 0.00 0.00 57.07 56.85 1lqq s TYR 5 Cb 0.00 -3.84 -0.09 0.00 -0.11 0.00 0.00 41.96 37.92 1lqq s TYR 5 CO 0.00 -1.07 1.12 -1.50 -1.11 0.00 0.00 175.55 172.99 1lqq s ILE 6 N 3.93 3.38 0.84 2.71 2.07 -0.02 -0.38 121.20 133.73 1lqq s ILE 6 Ca 0.48 1.23 -0.08 0.00 -1.41 0.00 0.00 60.65 60.88 1lqq s ILE 6 Cb -0.13 -3.72 0.16 0.00 0.13 0.00 0.00 42.46 38.91 1lqq s ILE 6 CO 0.19 0.17 1.15 0.00 -1.91 0.00 0.00 174.94 174.55 1lqq s ALA 7 N -1.37 3.03 0.00 1.50 0.00 -1.25 -4.07 121.76 119.60 1lqq s ALA 7 Ca 0.52 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1lqq s ALA 7 Cb -0.30 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1lqq s ALA 7 CO 0.38 -1.93 0.00 1.17 0.00 0.00 0.00 175.76 175.37 1lqq n LYS 8 N -3.28 0.00 0.00 0.00 4.81 0.16 -4.82 118.16 115.04 1lqq n LYS 8 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1lqq n LYS 8 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 1lqq n LYS 8 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1lqq n ASN 9 N -2.29 0.66 -3.15 3.14 4.05 -1.26 -4.98 115.26 111.43 1lqq n ASN 9 Ca 0.00 0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.83 1lqq n ASN 9 Cb 0.00 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 40.97 1lqq n ASN 9 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1lqq n TYR 10 N -2.07 0.93 -3.49 1.20 4.01 -1.26 -4.94 117.16 111.54 1lqq n TYR 10 Ca 0.00 -3.84 -0.19 0.00 -0.16 0.00 0.00 57.90 53.72 1lqq n TYR 10 Cb 0.13 -0.43 0.08 0.00 -0.31 0.00 0.00 39.34 38.81 1lqq n TYR 10 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1lqq n ASN 11 N 0.31 -2.81 -4.35 7.72 4.13 -1.26 -2.58 115.26 116.43 1lqq n ASN 11 Ca 0.26 -0.62 -0.22 0.00 1.68 0.00 0.00 54.58 55.67 1lqq n ASN 11 Cb 0.59 -5.02 -0.11 0.00 -1.54 0.00 0.00 39.78 33.70 1lqq n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lqq n VAL 13 N 0.25 0.00 -3.32 0.00 0.24 -1.26 0.37 118.33 114.61 1lqq n VAL 13 Ca -0.13 -1.95 -0.46 0.00 -2.04 0.00 0.00 64.34 59.76 1lqq n VAL 13 Cb 0.57 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 33.17 1lqq n VAL 13 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1lqq s TYR 14 N -2.45 3.88 -0.88 6.34 2.02 -1.26 -4.84 117.35 120.16 1lqq s TYR 14 Ca 0.08 -2.17 -0.23 0.00 -0.37 0.00 0.00 57.07 54.38 1lqq s TYR 14 Cb -0.01 -3.84 -0.19 0.00 -0.40 0.00 0.00 41.96 37.52 1lqq s TYR 14 CO 0.05 -1.00 2.09 0.39 -1.57 0.00 0.00 175.55 175.52 1lqq n GLU 15 N 3.71 0.21 -4.03 -0.62 1.02 -1.26 -3.56 120.64 116.11 1lqq n GLU 15 Ca 0.17 -1.19 -0.30 0.00 -0.02 0.00 0.00 57.16 55.82 1lqq n GLU 15 Cb 0.45 -3.42 -0.06 0.00 -0.02 0.00 0.00 31.44 28.39 1lqq n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lqq n PHE 17 N 0.35 0.25 -3.71 0.00 3.01 -1.26 -4.72 117.46 111.38 1lqq n PHE 17 Ca -0.08 -0.64 -0.30 0.00 1.01 0.00 0.00 57.45 57.44 1lqq n PHE 17 Cb 0.52 -0.10 -0.13 0.00 -0.01 0.00 0.00 39.48 39.76 1lqq n PHE 17 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1lqq s ARG 18 N -1.59 1.22 0.13 -1.08 1.81 -1.26 -4.98 118.95 113.19 1lqq s ARG 18 Ca 0.18 -1.90 -0.01 0.00 -1.72 0.00 0.00 55.73 52.28 1lqq s ARG 18 Cb 0.13 -2.29 0.28 0.00 -0.45 0.00 0.00 34.95 32.62 1lqq s ARG 18 CO 0.06 -1.14 0.66 -3.47 -0.68 0.00 0.00 175.30 170.72 1lqq n ASP 19 N 3.69 -0.08 -0.14 0.23 2.03 -1.26 0.19 116.55 121.20 1lqq n ASP 19 Ca 0.08 0.72 -0.07 0.00 0.52 0.00 0.00 54.79 56.03 1lqq n ASP 19 Cb 0.35 -0.25 -0.02 0.00 -0.72 0.00 0.00 41.12 40.49 1lqq n ASP 19 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1lqq h SER 20 N 0.00 -1.17 -0.94 1.67 0.02 -1.94 0.37 113.55 111.57 1lqq h SER 20 Ca 0.24 0.21 0.28 0.00 -0.84 0.00 0.00 61.79 61.67 1lqq h SER 20 Cb 0.46 0.55 -0.15 0.00 0.14 0.00 0.00 62.40 63.39 1lqq h SER 20 CO -0.41 -0.33 0.32 0.22 -1.14 0.00 0.00 176.83 175.50 1lqq h TYR 21 N -0.24 0.49 0.19 3.45 3.20 0.16 0.71 116.97 124.93 1lqq h TYR 21 Ca 0.18 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1lqq h TYR 21 Cb 0.55 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1lqq h TYR 21 CO -0.58 -0.26 -0.09 0.00 -1.64 0.00 0.00 178.16 175.59 1lqq h ASN 23 N -0.67 0.15 0.00 0.00 -0.73 0.25 0.33 115.58 114.91 1lqq h ASN 23 Ca -0.03 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1lqq h ASN 23 Cb 0.48 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 1lqq h ASN 23 CO 0.04 -0.06 -0.31 -0.78 -0.37 0.00 0.00 177.43 175.96 1lqq h ASP 24 N 0.08 0.00 -0.62 1.15 3.58 -0.15 -3.30 116.42 117.16 1lqq h ASP 24 Ca 0.76 -0.17 0.08 0.00 0.42 0.00 0.00 57.03 58.13 1lqq h ASP 24 Cb 2.68 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 43.62 1lqq h ASP 24 CO -0.20 0.75 -0.47 0.25 -2.88 0.00 0.00 179.24 176.68 1lqq h LEU 25 N -1.00 -1.65 0.14 2.28 5.85 0.22 0.47 115.31 121.62 1lqq h LEU 25 Ca -0.04 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1lqq h LEU 25 Cb 0.43 0.74 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1lqq h LEU 25 CO -0.02 -0.33 -0.07 0.00 -0.34 0.00 0.00 178.44 177.68 1lqq h THR 27 N -0.36 1.03 -0.69 0.00 1.35 -1.60 0.17 112.91 112.81 1lqq h THR 27 Ca -0.02 -0.31 0.20 0.00 -0.55 0.00 0.00 66.41 65.73 1lqq h THR 27 Cb 0.29 0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 66.74 1lqq h THR 27 CO 0.03 0.16 0.72 0.50 -0.25 0.00 0.00 175.52 176.69 1lqq h LYS 28 N 0.90 0.00 0.00 4.72 3.11 -0.62 0.74 116.57 125.41 1lqq h LYS 28 Ca 0.35 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1lqq h LYS 28 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1lqq h LYS 28 CO -0.17 0.00 -1.06 -1.71 -2.81 0.00 0.00 179.45 173.70 1lqq n ASN 29 N -3.63 0.60 0.00 4.20 2.85 0.47 -4.92 115.26 114.84 1lqq n ASN 29 Ca 0.14 -0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1lqq n ASN 29 Cb 0.96 0.82 0.00 0.00 1.24 0.00 0.00 39.78 42.80 1lqq n ASN 29 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lqq n GLY 30 N 1.35 1.78 3.68 8.20 0.00 0.26 -4.67 105.19 115.80 1lqq n GLY 30 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1lqq n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqq s ALA 31 N -2.00 1.07 -0.21 4.61 0.00 -0.40 -4.22 121.76 120.61 1lqq s ALA 31 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1lqq s ALA 31 Cb 0.00 -3.16 -0.21 0.00 0.00 0.00 0.00 23.12 19.75 1lqq s ALA 31 CO 0.00 -2.74 -0.01 0.45 0.00 0.00 0.00 175.76 173.47 1lqq n SER 32 N -4.13 1.22 -4.09 0.00 2.88 0.15 -4.39 113.62 105.26 1lqq n SER 32 Ca 0.06 -0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 1lqq n SER 32 Cb 0.56 0.07 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 1lqq n SER 32 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1lqq s SER 33 N -6.18 0.79 -0.09 -3.46 0.15 -1.09 -4.96 113.70 98.85 1lqq s SER 33 Ca -0.23 -0.78 -0.04 0.00 0.70 0.00 0.00 55.95 55.60 1lqq s SER 33 Cb 0.08 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1lqq s SER 33 CO 0.71 -0.38 0.20 -0.83 1.20 0.00 0.00 173.24 174.14 1lqq s GLY 34 N -2.32 -0.06 0.13 9.45 0.00 -1.26 -0.58 107.32 112.68 1lqq s GLY 34 Ca -0.00 0.79 -0.08 0.00 0.00 0.00 0.00 44.72 45.43 1lqq s GLY 34 CO -0.04 1.39 0.22 -2.52 0.00 0.00 0.00 173.10 172.15 1lqq s TYR 35 N 1.66 0.35 0.30 1.90 1.13 -0.74 -1.19 117.35 120.77 1lqq s TYR 35 Ca -0.05 -0.75 -0.02 0.00 -1.41 0.00 0.00 57.07 54.85 1lqq s TYR 35 Cb -0.11 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.60 1lqq s TYR 35 CO -0.07 -0.62 0.52 0.00 -2.51 0.00 0.00 175.55 172.87 1lqq s GLN 37 N -3.87 1.58 -0.25 0.00 -0.44 0.11 -4.69 119.66 112.09 1lqq s GLN 37 Ca 0.41 -1.79 -0.12 0.00 -2.50 0.00 0.00 55.36 51.36 1lqq s GLN 37 Cb -0.10 -1.27 0.09 0.00 -1.64 0.00 0.00 33.01 30.09 1lqq s GLN 37 CO 0.33 0.08 0.59 1.67 0.50 0.00 0.00 175.29 178.46 1lqq s TRP 38 N -2.92 -1.03 0.00 1.67 -2.14 -1.26 -0.23 118.94 113.02 1lqq s TRP 38 Ca 0.29 1.96 0.00 0.00 2.66 0.00 0.00 56.10 61.01 1lqq s TRP 38 Cb 0.03 0.57 0.00 0.00 -3.10 0.00 0.00 33.47 30.97 1lqq s TRP 38 CO 0.12 -0.53 0.00 0.00 -2.66 0.00 0.00 176.95 173.88 1lqq n ALA 39 N 4.81 1.94 0.00 2.67 0.00 -0.35 -5.00 120.51 124.58 1lqq n ALA 39 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1lqq n ALA 39 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1lqq n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqq n GLY 40 N 2.37 -1.33 0.33 0.00 0.00 -1.23 -4.89 105.19 100.44 1lqq n GLY 40 Ca 0.00 0.51 0.26 0.00 0.00 0.00 0.00 46.02 46.79 1lqq n GLY 40 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1lqq h LYS 41 N 0.00 0.17 -0.90 1.61 3.64 -2.00 0.23 116.57 119.32 1lqq h LYS 41 Ca 0.00 -0.01 -0.50 0.00 -1.27 0.00 0.00 60.65 58.87 1lqq h LYS 41 Cb 0.00 -0.04 -0.42 0.00 -0.41 0.00 0.00 32.23 31.36 1lqq h LYS 41 CO 0.00 0.11 -0.87 0.66 -2.27 0.00 0.00 179.45 177.08 1lqq n TYR 42 N -5.16 2.57 0.00 1.91 4.01 -1.26 -4.57 117.16 114.66 1lqq n TYR 42 Ca 0.33 -2.45 0.00 0.00 -0.16 0.00 0.00 57.90 55.62 1lqq n TYR 42 Cb 1.08 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 1lqq n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lqq n GLY 43 N -0.60 2.23 3.92 2.72 0.00 0.79 -4.51 105.19 109.74 1lqq n GLY 43 Ca 0.35 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1lqq n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lqq s ASN 44 N -3.86 5.87 0.20 1.61 2.47 -1.26 -1.21 114.94 118.76 1lqq s ASN 44 Ca 0.00 -0.16 -0.22 0.00 0.42 0.00 0.00 52.86 52.90 1lqq s ASN 44 Cb 0.00 -1.45 0.07 0.00 -1.45 0.00 0.00 41.25 38.42 1lqq s ASN 44 CO 0.00 -0.19 0.98 0.00 -3.72 0.00 0.00 177.10 174.17 1lqq s ALA 45 N -2.12 -1.50 -0.15 1.71 0.00 0.68 -4.22 121.76 116.15 1lqq s ALA 45 Ca 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 1lqq s ALA 45 Cb -0.08 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1lqq s ALA 45 CO 0.28 -1.05 -0.03 0.00 0.00 0.00 0.00 175.76 174.96 1lqq s TRP 47 N 0.30 3.07 0.14 0.00 -0.11 0.69 -0.84 118.94 122.19 1lqq s TRP 47 Ca -0.03 -0.49 0.01 0.00 1.22 0.00 0.00 56.10 56.81 1lqq s TRP 47 Cb -0.14 -2.22 -0.04 0.00 -1.50 0.00 0.00 33.47 29.57 1lqq s TRP 47 CO 0.03 -0.38 0.29 0.00 -4.62 0.00 0.00 176.95 172.26 1lqq s TYR 49 N -1.71 2.94 -1.40 0.00 1.51 0.25 -2.52 117.35 116.42 1lqq s TYR 49 Ca 0.35 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1lqq s TYR 49 Cb -0.11 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1lqq s TYR 49 CO 0.28 -0.21 0.48 0.00 -1.11 0.00 0.00 175.55 175.00 1lqq n ALA 50 N 3.84 -1.98 -1.83 3.71 0.00 0.69 -0.68 120.51 124.26 1lqq n ALA 50 Ca -0.18 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 1lqq n ALA 50 Cb 0.52 -1.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1lqq n ALA 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lqq s LEU 51 N -6.93 4.46 0.57 0.00 1.98 0.17 -3.43 118.68 115.50 1lqq s LEU 51 Ca 0.03 2.50 -0.08 0.00 -2.89 0.00 0.00 54.13 53.69 1lqq s LEU 51 Cb -0.02 -3.63 -0.05 0.00 0.66 0.00 0.00 46.19 43.15 1lqq s LEU 51 CO 0.88 -0.43 -0.43 -2.65 -1.89 0.00 0.00 176.35 171.83 1lqq n PRO 52 N 1.41 0.00 0.04 0.98 -0.02 -1.26 0.36 135.00 136.52 1lqq n PRO 52 Ca 0.01 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1lqq n PRO 52 Cb 0.43 -0.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.99 1lqq n PRO 52 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1lqq n ASP 53 N 2.76 0.51 0.00 2.55 8.00 -1.26 -4.21 116.55 124.90 1lqq n ASP 53 Ca -0.01 0.05 0.07 0.00 0.71 0.00 0.00 54.79 55.61 1lqq n ASP 53 Cb 0.21 1.05 0.43 0.00 -0.02 0.00 0.00 41.12 42.79 1lqq n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1lqq n ASN 54 N -2.32 0.00 -4.06 -2.24 6.94 -1.26 -4.53 115.26 107.79 1lqq n ASN 54 Ca -0.01 -1.02 -0.34 0.00 -0.02 0.00 0.00 54.58 53.19 1lqq n ASN 54 Cb 0.52 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.83 1lqq n ASN 54 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1lqq s VAL 55 N -2.00 3.26 -0.46 3.53 1.01 -1.26 -5.04 120.40 119.45 1lqq s VAL 55 Ca 0.22 -2.85 -0.28 0.00 0.00 0.00 0.00 61.98 59.07 1lqq s VAL 55 Cb 0.10 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1lqq s VAL 55 CO 0.17 -0.81 2.37 -0.81 0.00 0.00 0.00 175.10 176.02 1lqq n PRO 56 N 3.64 1.17 -0.72 2.72 -0.04 -1.26 -4.80 135.00 135.72 1lqq n PRO 56 Ca 0.05 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 1lqq n PRO 56 Cb 0.37 -3.09 0.17 0.00 -0.04 0.00 0.00 33.50 30.91 1lqq n PRO 56 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1lqq n ILE 57 N 7.80 0.00 -4.19 0.52 -0.00 -1.26 -3.96 119.36 118.26 1lqq n ILE 57 Ca 0.39 -0.33 -0.21 0.00 -0.00 0.00 0.00 62.75 62.60 1lqq n ILE 57 Cb 0.43 -1.17 -0.16 0.00 -0.00 0.00 0.00 39.64 38.74 1lqq n ILE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lqq s ARG 58 N -4.67 0.92 -0.38 6.28 1.04 0.48 -4.62 118.95 118.01 1lqq s ARG 58 Ca 0.47 -0.13 0.12 0.00 -1.04 0.00 0.00 55.73 55.16 1lqq s ARG 58 Cb -0.05 -0.91 0.40 0.00 -2.04 0.00 0.00 34.95 32.35 1lqq s ARG 58 CO 0.36 -0.08 1.06 1.33 -0.04 0.00 0.00 175.30 177.93 1lqq n VAL 59 N 4.06 0.32 -0.26 4.99 0.24 -1.26 -4.44 118.33 121.98 1lqq n VAL 59 Ca -0.24 -2.63 0.00 0.00 -2.04 0.00 0.00 64.34 59.43 1lqq n VAL 59 Cb 0.51 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 1lqq n VAL 59 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1lqq n PRO 60 N -0.09 3.50 -0.04 7.34 -0.04 -1.26 -5.00 135.00 139.41 1lqq n PRO 60 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1lqq n PRO 60 Cb 0.78 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 34.11 1lqq n PRO 60 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1lqq h GLY 61 N 0.00 0.17 -2.31 0.55 0.00 -1.96 -3.49 103.07 96.02 1lqq h GLY 61 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1lqq h GLY 61 CO 0.00 0.37 0.02 1.25 0.00 0.00 0.00 176.54 178.18 1lqq s LYS 62 N -2.44 1.55 0.82 4.80 2.20 -1.26 -4.54 119.74 120.87 1lqq s LYS 62 Ca -0.24 -1.05 -0.11 0.00 -0.36 0.00 0.00 55.97 54.21 1lqq s LYS 62 Cb 0.05 0.52 0.09 0.00 -1.51 0.00 0.00 37.83 36.98 1lqq s LYS 62 CO 0.70 -0.67 1.13 0.00 -0.36 0.00 0.00 175.35 176.15