#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 1.79 -0.12 7.34 3.03 0.17 -4.81 118.95 126.35 1lqq s ARG 2 Ca 0.00 -1.63 0.03 0.00 2.03 0.00 0.00 55.73 56.16 1lqq s ARG 2 Cb 0.00 0.44 0.01 0.00 -1.03 0.00 0.00 34.95 34.37 1lqq s ARG 2 CO 0.00 -0.74 -0.21 -0.51 -1.13 0.00 0.00 175.30 172.72 1lqq s ASP 3 N -3.18 2.90 0.06 -2.89 1.01 -1.26 0.48 116.67 113.79 1lqq s ASP 3 Ca 0.29 -0.54 -0.18 0.00 0.71 0.00 0.00 52.55 52.83 1lqq s ASP 3 Cb -0.00 -1.33 0.06 0.00 1.01 0.00 0.00 42.92 42.66 1lqq s ASP 3 CO 0.17 0.08 0.82 0.00 0.21 0.00 0.00 175.17 176.45 1lqq n ALA 4 N 3.95 -2.24 -2.71 5.23 0.00 -1.00 -4.98 120.51 118.77 1lqq n ALA 4 Ca -0.20 -0.65 -0.39 0.00 0.00 0.00 0.00 53.44 52.20 1lqq n ALA 4 Cb 0.52 0.26 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.79 3.53 0.43 0.00 2.02 -1.26 -1.45 117.35 117.83 1lqq s TYR 5 Ca 0.19 1.13 -0.22 0.00 -0.37 0.00 0.00 57.07 57.81 1lqq s TYR 5 Cb -0.01 -2.76 -0.10 0.00 -0.40 0.00 0.00 41.96 38.69 1lqq s TYR 5 CO 0.02 0.06 0.98 -1.50 -1.57 0.00 0.00 175.55 173.54 1lqq s ILE 6 N 0.94 4.17 1.04 2.71 1.10 -0.13 -0.58 121.20 130.45 1lqq s ILE 6 Ca 0.34 1.42 -0.17 0.00 -0.51 0.00 0.00 60.65 61.73 1lqq s ILE 6 Cb -0.17 -3.61 0.23 0.00 0.15 0.00 0.00 42.46 39.06 1lqq s ILE 6 CO 0.15 -0.23 1.25 0.00 -2.11 0.00 0.00 174.94 174.01 1lqq s ALA 7 N -2.03 1.72 0.00 1.50 0.00 -1.26 -4.11 121.76 117.59 1lqq s ALA 7 Ca 0.62 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1lqq s ALA 7 Cb -0.13 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1lqq s ALA 7 CO 0.17 -2.80 0.00 1.17 0.00 0.00 0.00 175.76 174.30 1lqq n LYS 8 N -4.08 0.00 0.09 0.00 0.00 0.25 -4.58 118.16 109.84 1lqq n LYS 8 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.45 1lqq n LYS 8 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1lqq n LYS 8 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1lqq n ASN 9 N -2.52 -0.11 -3.19 3.14 2.85 -1.26 -5.00 115.26 109.17 1lqq n ASN 9 Ca 0.00 0.31 -0.25 0.00 -0.11 0.00 0.00 54.58 54.53 1lqq n ASN 9 Cb 0.00 0.26 -0.06 0.00 1.24 0.00 0.00 39.78 41.22 1lqq n ASN 9 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1lqq n TYR 10 N -3.11 2.38 -3.26 1.20 4.02 -1.26 -4.86 117.16 112.27 1lqq n TYR 10 Ca 0.00 -3.94 -0.17 0.00 -0.01 0.00 0.00 57.90 53.78 1lqq n TYR 10 Cb 0.00 -0.47 0.06 0.00 -0.02 0.00 0.00 39.34 38.90 1lqq n TYR 10 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1lqq n ASN 11 N 0.53 -5.16 -4.54 7.72 4.05 -1.26 -2.59 115.26 114.02 1lqq n ASN 11 Ca 0.28 -0.38 -0.26 0.00 0.45 0.00 0.00 54.58 54.67 1lqq n ASN 11 Cb 0.47 -3.77 -0.10 0.00 1.23 0.00 0.00 39.78 37.61 1lqq n ASN 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1lqq n VAL 13 N -0.90 0.00 -3.39 0.00 0.24 -1.26 0.88 118.33 113.90 1lqq n VAL 13 Ca -0.06 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.80 1lqq n VAL 13 Cb 0.67 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.96 3.35 -1.11 6.34 2.02 -1.26 -4.63 117.35 121.10 1lqq s TYR 14 Ca 0.00 -1.54 -0.22 0.00 -0.37 0.00 0.00 57.07 54.94 1lqq s TYR 14 Cb 0.00 -3.71 -0.01 0.00 -0.40 0.00 0.00 41.96 37.84 1lqq s TYR 14 CO 0.00 -1.01 1.79 -2.00 -1.57 0.00 0.00 175.55 172.77 1lqq s GLU 15 N 1.38 3.10 0.12 -0.62 2.56 -1.26 -2.95 118.70 121.03 1lqq s GLU 15 Ca 0.05 -1.16 0.02 0.00 0.00 0.00 0.00 54.97 53.88 1lqq s GLU 15 Cb -0.27 -5.30 -0.04 0.00 2.00 0.00 0.00 34.13 30.52 1lqq s GLU 15 CO 0.01 -3.06 0.25 0.00 -0.56 0.00 0.00 175.26 171.90 1lqq n PHE 17 N -0.24 0.00 -3.52 0.00 3.72 -1.26 -4.70 117.46 111.45 1lqq n PHE 17 Ca -0.06 -0.54 -0.29 0.00 -0.05 0.00 0.00 57.45 56.50 1lqq n PHE 17 Cb 0.53 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.86 1lqq n PHE 17 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1lqq s ARG 18 N -1.46 0.65 0.08 -1.08 1.81 -1.26 -5.00 118.95 112.69 1lqq s ARG 18 Ca 0.14 -1.35 -0.02 0.00 -1.72 0.00 0.00 55.73 52.77 1lqq s ARG 18 Cb 0.12 -1.50 0.13 0.00 -0.45 0.00 0.00 34.95 33.25 1lqq s ARG 18 CO 0.01 -1.17 0.43 -3.47 -0.68 0.00 0.00 175.30 170.42 1lqq n ASP 19 N 4.11 -0.10 -0.29 0.23 2.03 -1.26 0.71 116.55 121.98 1lqq n ASP 19 Ca 0.09 0.48 -0.12 0.00 0.52 0.00 0.00 54.79 55.76 1lqq n ASP 19 Cb 0.37 -0.14 -0.09 0.00 -0.72 0.00 0.00 41.12 40.54 1lqq n ASP 19 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1lqq h SER 20 N 0.00 -1.98 -0.92 1.67 0.87 -1.94 0.32 113.55 111.57 1lqq h SER 20 Ca 0.13 0.29 0.23 0.00 -1.23 0.00 0.00 61.79 61.21 1lqq h SER 20 Cb 0.21 0.86 -0.17 0.00 -0.44 0.00 0.00 62.40 62.85 1lqq h SER 20 CO -0.28 -0.31 -0.03 0.22 -0.53 0.00 0.00 176.83 175.90 1lqq h TYR 21 N -0.17 -0.14 0.07 2.24 3.20 -0.13 0.63 116.97 122.67 1lqq h TYR 21 Ca 0.14 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1lqq h TYR 21 Cb 0.50 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1lqq h TYR 21 CO -0.88 -0.38 -0.03 0.00 -1.64 0.00 0.00 178.16 175.23 1lqq h ASN 23 N -0.37 0.00 0.00 0.00 -1.24 0.26 0.16 115.58 114.39 1lqq h ASN 23 Ca -0.01 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.70 1lqq h ASN 23 Cb 0.32 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 1lqq h ASN 23 CO 0.02 0.00 -1.93 0.47 -1.29 0.00 0.00 177.43 174.70 1lqq n ASP 24 N -2.79 1.94 0.00 1.15 8.00 -0.46 -4.31 116.55 120.09 1lqq n ASP 24 Ca -0.00 0.36 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 1lqq n ASP 24 Cb 0.65 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1lqq n ASP 24 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1lqq h LEU 25 N -1.00 -1.11 0.33 0.64 5.85 0.15 0.69 115.31 120.87 1lqq h LEU 25 Ca -0.45 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1lqq h LEU 25 Cb 1.37 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1lqq h LEU 25 CO -0.27 -0.39 -0.16 0.00 -0.34 0.00 0.00 178.44 177.28 1lqq h THR 27 N -0.48 0.86 -1.24 0.00 1.35 -1.72 -0.19 112.91 111.49 1lqq h THR 27 Ca -0.05 -0.09 0.36 0.00 -0.55 0.00 0.00 66.41 66.08 1lqq h THR 27 Cb 0.37 0.58 -0.07 0.00 -1.73 0.00 0.00 68.15 67.30 1lqq h THR 27 CO 0.08 0.05 0.87 0.50 -0.25 0.00 0.00 175.52 176.76 1lqq h LYS 28 N 0.26 0.09 0.00 4.72 3.11 -0.59 0.47 116.57 124.63 1lqq h LYS 28 Ca 0.18 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1lqq h LYS 28 Cb 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1lqq h LYS 28 CO -0.20 0.06 -0.67 -0.91 -2.81 0.00 0.00 179.45 174.92 1lqq h ASN 29 N 0.09 0.00 0.00 4.20 -0.26 -1.06 -3.47 115.58 115.08 1lqq h ASN 29 Ca 0.62 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 1lqq h ASN 29 Cb 2.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.53 1lqq h ASN 29 CO -0.10 0.09 0.00 0.61 -1.06 0.00 0.00 177.43 176.97 1lqq n GLY 30 N 1.31 1.91 3.86 2.83 0.00 0.17 -4.78 105.19 110.49 1lqq n GLY 30 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 3.11 0.08 4.61 0.00 -0.24 -4.22 121.76 123.11 1lqq s ALA 31 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1lqq s ALA 31 Cb 0.00 -3.05 -0.22 0.00 0.00 0.00 0.00 23.12 19.85 1lqq s ALA 31 CO 0.00 -0.41 1.19 1.03 0.00 0.00 0.00 175.76 177.57 1lqq h SER 32 N 0.41 0.82 -5.37 0.00 0.87 -0.72 -3.37 113.55 106.18 1lqq h SER 32 Ca -0.46 -0.69 -0.14 0.00 -1.23 0.00 0.00 61.79 59.27 1lqq h SER 32 Cb 1.19 -0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 62.77 1lqq h SER 32 CO 0.62 1.49 -0.41 -0.55 -0.53 0.00 0.00 176.83 177.46 1lqq s SER 33 N -7.29 0.08 -0.00 6.23 0.15 -1.12 -4.95 113.70 106.80 1lqq s SER 33 Ca -0.09 -1.08 -0.00 0.00 0.70 0.00 0.00 55.95 55.49 1lqq s SER 33 Cb 0.07 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1lqq s SER 33 CO 0.91 -0.91 0.01 -0.83 1.20 0.00 0.00 173.24 173.62 1lqq s GLY 34 N -3.04 0.01 0.11 9.45 0.00 -1.26 -1.26 107.32 111.32 1lqq s GLY 34 Ca 0.25 0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 1lqq s GLY 34 CO 0.06 0.09 0.28 -0.47 0.00 0.00 0.00 173.10 173.06 1lqq s TYR 35 N 0.13 0.05 -0.18 1.90 6.14 0.08 -3.21 117.35 122.26 1lqq s TYR 35 Ca -0.01 -0.43 -0.06 0.00 0.64 0.00 0.00 57.07 57.20 1lqq s TYR 35 Cb -0.02 0.06 -0.04 0.00 0.42 0.00 0.00 41.96 42.39 1lqq s TYR 35 CO -0.00 -0.63 0.04 0.00 0.64 0.00 0.00 175.55 175.60 1lqq s GLN 37 N 0.53 1.37 0.07 0.00 2.00 0.11 -4.78 119.66 118.97 1lqq s GLN 37 Ca 0.01 -1.64 0.01 0.00 -2.00 0.00 0.00 55.36 51.74 1lqq s GLN 37 Cb -0.13 -1.06 -0.04 0.00 0.80 0.00 0.00 33.01 32.59 1lqq s GLN 37 CO 0.01 0.11 -0.06 1.67 -0.50 0.00 0.00 175.29 176.53 1lqq s TRP 38 N -3.04 0.71 0.06 1.67 -2.14 -1.26 -0.13 118.94 114.80 1lqq s TRP 38 Ca 0.25 -0.82 0.00 0.00 2.66 0.00 0.00 56.10 58.18 1lqq s TRP 38 Cb 0.01 -0.43 0.00 0.00 -3.10 0.00 0.00 33.47 29.95 1lqq s TRP 38 CO 0.08 -0.19 0.00 0.00 -2.66 0.00 0.00 176.95 174.18 1lqq n ALA 39 N 0.48 3.00 0.00 2.67 0.00 -0.03 -4.99 120.51 121.64 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 0.59 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 2.12 4.18 0.32 0.00 0.00 -1.13 -4.91 105.19 105.77 1lqq n GLY 40 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 1.02 -0.00 1.61 3.64 -1.99 -3.13 116.57 117.72 1lqq h LYS 41 Ca 0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1lqq h LYS 41 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1lqq h LYS 41 CO 0.00 0.88 -0.27 0.66 -2.27 0.00 0.00 179.45 178.45 1lqq n TYR 42 N -4.26 0.00 0.00 1.91 4.01 -1.26 -4.69 117.16 112.86 1lqq n TYR 42 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1lqq n TYR 42 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.00 0.84 3.86 2.72 0.00 -1.19 -4.84 105.19 107.58 1lqq n GLY 43 Ca 0.02 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.00 4.72 -0.10 1.61 2.47 -1.26 -0.85 114.94 117.53 1lqq s ASN 44 Ca 0.00 -1.04 -0.32 0.00 0.42 0.00 0.00 52.86 51.93 1lqq s ASN 44 Cb 0.00 -0.13 0.12 0.00 -1.45 0.00 0.00 41.25 39.79 1lqq s ASN 44 CO 0.00 -0.82 1.40 0.00 -3.72 0.00 0.00 177.10 173.96 1lqq s ALA 45 N -2.63 -2.72 -0.18 1.71 0.00 0.82 -4.72 121.76 114.04 1lqq s ALA 45 Ca 0.41 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1lqq s ALA 45 Cb -0.01 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1lqq s ALA 45 CO 0.24 -1.14 0.10 0.00 0.00 0.00 0.00 175.76 174.96 1lqq s TRP 47 N 0.09 3.25 -0.04 0.00 -0.00 0.21 -0.96 118.94 121.48 1lqq s TRP 47 Ca 0.08 -0.76 -0.03 0.00 -0.00 0.00 0.00 56.10 55.39 1lqq s TRP 47 Cb -0.12 -2.75 -0.04 0.00 -0.00 0.00 0.00 33.47 30.57 1lqq s TRP 47 CO -0.00 -0.66 0.12 0.00 -0.00 0.00 0.00 176.95 176.40 1lqq s TYR 49 N -1.17 3.11 -1.43 0.00 1.51 -0.39 -2.37 117.35 116.61 1lqq s TYR 49 Ca 0.22 -0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1lqq s TYR 49 Cb -0.12 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1lqq s TYR 49 CO 0.12 0.09 0.65 0.00 -1.11 0.00 0.00 175.55 175.30 1lqq n ALA 50 N 3.35 -1.81 -2.22 3.71 0.00 0.65 -0.37 120.51 123.83 1lqq n ALA 50 Ca -0.17 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1lqq n ALA 50 Cb 0.53 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 -6.96 4.36 0.20 0.00 1.98 0.18 -3.41 118.68 115.04 1lqq s LEU 51 Ca 0.19 2.24 -0.02 0.00 -2.89 0.00 0.00 54.13 53.65 1lqq s LEU 51 Cb -0.10 -3.58 -0.02 0.00 0.66 0.00 0.00 46.19 43.15 1lqq s LEU 51 CO 0.86 -0.63 -0.13 -2.65 -1.89 0.00 0.00 176.35 171.91 1lqq n PRO 52 N 4.14 0.00 -0.01 0.98 -0.02 -1.26 0.45 135.00 139.27 1lqq n PRO 52 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 1lqq n PRO 52 Cb 0.43 -0.32 -0.13 0.00 -0.02 0.00 0.00 33.50 33.47 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 1.00 0.78 -0.44 2.55 9.92 -1.26 -4.11 116.55 124.99 1lqq n ASP 53 Ca -0.00 0.36 0.04 0.00 -0.53 0.00 0.00 54.79 54.66 1lqq n ASP 53 Cb 0.06 0.13 0.10 0.00 -0.64 0.00 0.00 41.12 40.77 1lqq n ASP 53 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1lqq n ASN 54 N -2.96 1.26 -4.09 -2.24 0.23 -1.26 -4.70 115.26 101.50 1lqq n ASN 54 Ca -0.16 -2.00 -0.36 0.00 -0.53 0.00 0.00 54.58 51.52 1lqq n ASN 54 Cb 0.99 -0.16 -0.10 0.00 -2.08 0.00 0.00 39.78 38.43 1lqq n ASN 54 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1lqq s VAL 55 N -1.69 3.72 -0.48 3.53 1.01 -1.26 -5.04 120.40 120.20 1lqq s VAL 55 Ca 0.16 -3.00 -0.29 0.00 0.00 0.00 0.00 61.98 58.84 1lqq s VAL 55 Cb 0.08 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1lqq s VAL 55 CO 0.10 -0.88 2.37 -0.81 0.00 0.00 0.00 175.10 175.88 1lqq n PRO 56 N 3.43 1.07 0.00 2.72 -0.04 -1.26 -4.86 135.00 136.06 1lqq n PRO 56 Ca 0.08 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1lqq n PRO 56 Cb 0.38 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 7.69 0.00 -3.94 0.52 -0.00 -1.26 -4.00 119.36 118.37 1lqq n ILE 57 Ca 0.41 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.83 1lqq n ILE 57 Cb 0.37 -1.44 -0.14 0.00 -0.00 0.00 0.00 39.64 38.43 1lqq n ILE 57 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1lqq s ARG 58 N -2.47 1.87 -0.37 6.28 3.00 0.26 -4.47 118.95 123.04 1lqq s ARG 58 Ca 0.00 -1.70 0.11 0.00 -1.00 0.00 0.00 55.73 53.14 1lqq s ARG 58 Cb 0.00 -3.26 0.34 0.00 0.00 0.00 0.00 34.95 32.02 1lqq s ARG 58 CO 0.00 -0.88 0.70 1.33 0.00 0.00 0.00 175.30 176.46 1lqq n VAL 59 N 4.42 -0.24 -3.43 7.11 0.24 -1.26 -4.55 118.33 120.63 1lqq n VAL 59 Ca -0.03 -4.50 -0.23 0.00 -2.04 0.00 0.00 64.34 57.54 1lqq n VAL 59 Cb 0.42 -0.48 0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1lqq n VAL 59 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1lqq s PRO 60 N -2.25 2.25 0.31 7.34 0.04 -1.26 -5.00 135.00 136.43 1lqq s PRO 60 Ca 0.39 -1.85 -0.00 0.00 0.04 0.00 0.00 61.00 59.58 1lqq s PRO 60 Cb 0.33 -2.39 0.50 0.00 0.04 0.00 0.00 34.50 32.98 1lqq s PRO 60 CO -0.08 -0.79 1.95 0.78 0.04 0.00 0.00 177.00 178.89 1lqq h GLY 61 N 0.40 1.00 -2.64 0.56 0.00 -1.96 -3.45 103.07 96.98 1lqq h GLY 61 Ca -0.32 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 46.64 1lqq h GLY 61 CO 0.48 0.41 0.30 1.25 0.00 0.00 0.00 176.54 178.97 1lqq s LYS 62 N -5.67 1.36 0.75 4.80 2.20 -1.26 -4.68 119.74 117.24 1lqq s LYS 62 Ca -0.11 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 1lqq s LYS 62 Cb 0.17 0.54 0.04 0.00 -1.51 0.00 0.00 37.83 37.07 1lqq s LYS 62 CO 0.78 -0.61 1.08 0.00 -0.36 0.00 0.00 175.35 176.24