#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1daq s SER 2 N 0.00 -0.76 0.10 7.83 0.01 -1.26 -5.18 113.70 114.44 1daq s SER 2 Ca 0.00 1.41 -0.20 0.00 1.31 0.00 0.00 55.95 58.47 1daq s SER 2 Cb 0.00 1.41 0.05 0.00 0.21 0.00 0.00 66.02 67.69 1daq s SER 2 CO 0.00 -0.24 0.49 0.28 0.41 0.00 0.00 173.24 174.18 1daq s THR 3 N 0.61 0.04 -0.19 1.44 -1.32 -1.26 -5.15 115.64 109.81 1daq s THR 3 Ca -0.02 -0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.14 1daq s THR 3 Cb -0.05 -1.04 0.05 0.00 -1.51 0.00 0.00 72.50 69.95 1daq s THR 3 CO -0.03 -0.17 -0.01 -0.54 -2.21 0.00 0.00 174.62 171.66 1daq s LYS 4 N -3.16 1.04 -0.20 7.08 1.02 -1.26 -5.10 119.74 119.16 1daq s LYS 4 Ca -0.01 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1daq s LYS 4 Cb 0.00 -2.14 0.14 0.00 -0.52 0.00 0.00 37.83 35.31 1daq s LYS 4 CO -0.07 -0.57 1.05 -0.48 -0.92 0.00 0.00 175.35 174.36 1daq s LEU 5 N 1.71 -0.34 -0.25 3.17 2.34 -1.26 -4.92 118.68 119.14 1daq s LEU 5 Ca -0.01 0.43 -0.02 0.00 0.06 0.00 0.00 54.13 54.58 1daq s LEU 5 Cb -0.17 1.76 0.12 0.00 -0.56 0.00 0.00 46.19 47.35 1daq s LEU 5 CO -0.07 -0.27 0.31 -0.47 -1.06 0.00 0.00 176.35 174.78 1daq s TYR 6 N -0.86 -0.56 0.00 3.48 5.04 -1.26 -4.93 117.35 118.26 1daq s TYR 6 Ca 0.00 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1daq s TYR 6 Cb -0.01 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.04 1daq s TYR 6 CO -0.01 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.85 1daq n GLY 7 N 5.33 0.80 3.89 8.97 0.00 -0.33 -4.64 105.19 119.21 1daq n GLY 7 Ca -0.03 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1daq n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1daq s ASP 8 N -2.59 6.51 -0.18 1.61 -1.08 -1.26 0.20 116.67 119.89 1daq s ASP 8 Ca 0.00 0.67 -0.14 0.00 -0.52 0.00 0.00 52.55 52.56 1daq s ASP 8 Cb 0.00 -2.12 -0.07 0.00 -1.46 0.00 0.00 42.92 39.27 1daq s ASP 8 CO 0.00 -0.01 -0.21 0.52 0.52 0.00 0.00 175.17 175.99 1daq n VAL 9 N -0.11 1.47 -1.11 1.11 0.31 -1.26 -3.17 118.33 115.58 1daq n VAL 9 Ca -0.02 0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1daq n VAL 9 Cb 0.52 -2.27 0.27 0.00 -0.91 0.00 0.00 33.84 31.45 1daq n VAL 9 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1daq n ASN 10 N -4.50 4.00 -3.88 4.52 0.23 -1.26 -3.55 115.26 110.83 1daq n ASN 10 Ca -0.18 -3.25 -0.28 0.00 -0.53 0.00 0.00 54.58 50.34 1daq n ASN 10 Cb 0.48 -0.64 0.02 0.00 -2.08 0.00 0.00 39.78 37.56 1daq n ASN 10 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1daq n ASP 11 N -0.48 -3.44 -0.12 0.53 2.03 -1.26 -4.88 116.55 108.93 1daq n ASP 11 Ca 0.31 -0.82 -0.26 0.00 0.52 0.00 0.00 54.79 54.54 1daq n ASP 11 Cb 1.11 -3.80 -0.11 0.00 -0.72 0.00 0.00 41.12 37.60 1daq n ASP 11 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1daq n ASP 12 N -2.89 1.96 0.00 1.67 2.03 -1.26 -5.00 116.55 113.05 1daq n ASP 12 Ca -0.07 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1daq n ASP 12 Cb 0.58 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1daq n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1daq n GLY 13 N 1.53 -0.47 3.74 0.27 0.00 -1.26 -5.13 105.19 103.87 1daq n GLY 13 Ca -0.48 0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1daq n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1daq s LYS 14 N -1.87 0.58 -0.44 1.61 0.00 -1.26 -4.17 119.74 114.18 1daq s LYS 14 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 55.97 55.42 1daq s LYS 14 Cb 0.00 0.18 0.03 0.00 0.00 0.00 0.00 37.83 38.04 1daq s LYS 14 CO 0.00 -0.27 0.68 0.54 0.00 0.00 0.00 175.35 176.30 1daq s VAL 15 N -2.42 4.78 0.05 1.79 0.11 0.55 -4.18 120.40 121.08 1daq s VAL 15 Ca 0.18 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1daq s VAL 15 Cb 0.02 -4.24 -0.00 0.00 -1.53 0.00 0.00 36.38 30.63 1daq s VAL 15 CO -0.02 -0.64 0.06 -0.46 -3.33 0.00 0.00 175.10 170.72 1daq n ASN 16 N 6.39 -0.17 -0.34 3.54 0.23 -1.26 -4.83 115.26 118.82 1daq n ASN 16 Ca -0.01 -1.28 0.19 0.00 -0.53 0.00 0.00 54.58 52.95 1daq n ASN 16 Cb 0.48 0.33 0.42 0.00 -2.08 0.00 0.00 39.78 38.93 1daq n ASN 16 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1daq h SER 17 N 0.28 0.62 -0.93 0.53 0.87 -1.94 0.66 113.55 113.64 1daq h SER 17 Ca -0.04 0.12 0.19 0.00 -1.23 0.00 0.00 61.79 60.83 1daq h SER 17 Cb 0.17 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1daq h SER 17 CO 0.05 0.10 0.60 0.74 -0.53 0.00 0.00 176.83 177.79 1daq h THR 18 N 0.54 0.71 -0.72 2.23 2.02 -1.95 0.94 112.91 116.68 1daq h THR 18 Ca 0.63 -0.19 -0.23 0.00 0.77 0.00 0.00 66.41 67.39 1daq h THR 18 Cb 1.30 0.10 -0.14 0.00 -1.74 0.00 0.00 68.15 67.68 1daq h THR 18 CO -0.43 0.10 0.29 0.47 0.37 0.00 0.00 175.52 176.33 1daq n ASP 19 N -4.59 4.57 0.22 4.18 8.00 0.23 -4.32 116.55 124.83 1daq n ASP 19 Ca 0.20 -3.16 0.07 0.00 0.71 0.00 0.00 54.79 52.61 1daq n ASP 19 Cb 0.62 -0.74 0.50 0.00 -0.02 0.00 0.00 41.12 41.48 1daq n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1daq h ALA 20 N 2.52 1.37 0.73 2.24 0.00 0.13 -1.63 119.26 124.61 1daq h ALA 20 Ca 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1daq h ALA 20 Cb 2.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 1daq h ALA 20 CO 0.73 0.32 -0.49 0.28 0.00 0.00 0.00 179.25 180.08 1daq h VAL 21 N 0.00 0.00 0.00 0.00 2.07 -1.76 0.38 116.25 116.95 1daq h VAL 21 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1daq h VAL 21 Cb 0.52 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1daq h VAL 21 CO 0.03 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.58 1daq h ALA 22 N -1.14 1.12 0.61 1.67 0.00 -1.87 -2.84 119.26 116.81 1daq h ALA 22 Ca -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1daq h ALA 22 Cb 0.94 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1daq h ALA 22 CO 0.07 0.06 -0.30 1.25 0.00 0.00 0.00 179.25 180.34 1daq h LEU 23 N 0.00 -0.70 -0.98 0.00 6.46 -0.25 0.11 115.31 119.95 1daq h LEU 23 Ca -0.00 0.02 0.30 0.00 -0.12 0.00 0.00 57.88 58.08 1daq h LEU 23 Cb 0.27 0.18 -0.15 0.00 -0.73 0.00 0.00 40.66 40.24 1daq h LEU 23 CO 0.01 -0.31 0.51 0.50 -0.62 0.00 0.00 178.44 178.53 1daq h LYS 24 N -1.20 0.32 -0.14 1.25 3.64 -0.06 1.99 116.57 122.37 1daq h LYS 24 Ca -0.08 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 1daq h LYS 24 Cb 0.63 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1daq h LYS 24 CO 0.14 0.21 -0.53 0.00 -2.27 0.00 0.00 179.45 177.00 1daq h ARG 25 N 0.33 0.39 -0.00 1.90 -0.00 -1.42 -1.84 114.38 113.74 1daq h ARG 25 Ca 0.69 -0.24 -0.20 0.00 -0.50 0.00 0.00 59.98 59.74 1daq h ARG 25 Cb 1.53 0.02 0.02 0.00 0.00 0.00 0.00 29.97 31.54 1daq h ARG 25 CO -0.60 0.82 -0.79 -0.92 0.00 0.00 0.00 179.97 178.48 1daq h TYR 26 N 0.30 0.79 -0.53 3.04 5.03 0.49 -2.34 116.97 123.76 1daq h TYR 26 Ca 0.01 -0.43 0.00 0.00 2.58 0.00 0.00 58.73 60.89 1daq h TYR 26 Cb 1.03 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.19 1daq h TYR 26 CO 0.03 1.26 0.35 0.28 -1.32 0.00 0.00 178.16 178.76 1daq h VAL 27 N 0.10 1.14 -0.67 1.81 2.07 0.24 -2.09 116.25 118.85 1daq h VAL 27 Ca -0.10 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1daq h VAL 27 Cb 1.48 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1daq h VAL 27 CO 0.16 0.14 0.36 0.25 0.02 0.00 0.00 177.57 178.49 1daq h LEU 28 N 0.72 0.85 0.00 2.57 6.46 -1.38 -3.48 115.31 121.05 1daq h LEU 28 Ca 0.19 -0.10 0.39 0.00 -0.12 0.00 0.00 57.88 58.24 1daq h LEU 28 Cb -0.07 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 39.57 1daq h LEU 28 CO -0.04 0.70 0.96 -2.11 -0.62 0.00 0.00 178.44 177.33 1daq n ARG 29 N -4.51 0.02 -3.34 1.25 -4.01 -0.79 -5.09 116.66 100.20 1daq n ARG 29 Ca 0.05 -0.51 -0.47 0.00 -1.04 0.00 0.00 57.85 55.89 1daq n ARG 29 Cb 0.10 0.98 -0.03 0.00 -3.04 0.00 0.00 32.46 30.47 1daq n ARG 29 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 1daq s SER 30 N -3.81 6.65 0.00 2.89 0.01 -1.26 -3.42 113.70 114.75 1daq s SER 30 Ca 0.31 -2.57 0.00 0.00 1.31 0.00 0.00 55.95 55.00 1daq s SER 30 Cb -0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1daq s SER 30 CO -0.03 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1daq n GLY 31 N 4.14 0.00 3.95 3.44 0.00 -1.26 -5.07 105.19 110.38 1daq n GLY 31 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1daq n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1daq s ILE 32 N -1.86 2.01 -0.18 -0.61 -4.36 -1.26 -5.07 121.20 109.86 1daq s ILE 32 Ca 0.00 -0.14 0.01 0.00 -0.26 0.00 0.00 60.65 60.26 1daq s ILE 32 Cb 0.00 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.86 1daq s ILE 32 CO 0.00 0.00 -0.19 -0.44 0.24 0.00 0.00 174.94 174.55 1daq s SER 33 N -4.91 3.20 0.06 4.36 0.01 -1.26 -5.06 113.70 110.09 1daq s SER 33 Ca 0.74 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 1daq s SER 33 Cb -0.03 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 1daq s SER 33 CO 0.52 -0.00 0.01 0.27 0.41 0.00 0.00 173.24 174.44 1daq s ILE 34 N 1.30 0.20 -1.45 1.44 -4.36 -1.26 -4.91 121.20 112.16 1daq s ILE 34 Ca 0.05 -1.67 -0.11 0.00 -0.26 0.00 0.00 60.65 58.66 1daq s ILE 34 Cb -0.13 -1.44 -0.06 0.00 1.25 0.00 0.00 42.46 42.07 1daq s ILE 34 CO -0.12 -0.92 2.64 0.59 0.24 0.00 0.00 174.94 177.37 1daq n ASN 35 N 0.14 6.93 0.00 4.36 3.02 -1.19 -4.56 115.26 123.95 1daq n ASN 35 Ca -0.15 -2.59 0.04 0.00 -0.03 0.00 0.00 54.58 51.85 1daq n ASN 35 Cb 0.61 -1.49 0.18 0.00 -0.61 0.00 0.00 39.78 38.47 1daq n ASN 35 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1daq n THR 36 N 4.09 1.39 -0.03 3.41 5.66 -1.26 -3.37 114.28 124.17 1daq n THR 36 Ca 0.67 0.35 -0.01 0.00 -3.05 0.00 0.00 64.05 62.00 1daq n THR 36 Cb 0.26 -1.21 -0.01 0.00 -1.55 0.00 0.00 70.33 67.81 1daq n THR 36 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1daq h ASP 37 N 0.00 -0.22 -1.17 1.09 5.19 -1.93 -2.74 116.42 116.63 1daq h ASP 37 Ca 0.00 0.03 -0.61 0.00 -0.62 0.00 0.00 57.03 55.83 1daq h ASP 37 Cb 0.13 0.09 -0.39 0.00 0.18 0.00 0.00 39.33 39.35 1daq h ASP 37 CO 0.00 -0.04 -0.32 -0.46 -3.12 0.00 0.00 179.24 175.30 1daq n ASN 38 N -3.11 5.58 -0.06 6.45 6.94 -1.23 -4.60 115.26 125.24 1daq n ASN 38 Ca -0.00 -3.76 -0.17 0.00 -0.02 0.00 0.00 54.58 50.63 1daq n ASN 38 Cb 0.03 -0.56 -0.14 0.00 -2.36 0.00 0.00 39.78 36.76 1daq n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1daq n ALA 39 N -0.65 1.24 -2.79 -2.53 0.00 -1.03 -1.19 120.51 113.56 1daq n ALA 39 Ca 0.46 -0.89 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 1daq n ALA 39 Cb 0.74 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 1daq n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1daq s ASP 40 N -6.52 6.44 0.00 0.00 2.15 -1.16 -4.46 116.67 113.11 1daq s ASP 40 Ca -0.23 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1daq s ASP 40 Cb 0.08 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 1daq s ASP 40 CO 0.73 0.15 0.76 0.18 -0.17 0.00 0.00 175.17 176.82 1daq n LEU 41 N 0.42 0.00 -0.56 -1.34 4.32 -1.26 -4.84 117.00 113.74 1daq n LEU 41 Ca -0.06 -0.95 -0.00 0.00 -0.02 0.00 0.00 56.01 54.98 1daq n LEU 41 Cb 0.52 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1daq n LEU 41 CO 0.48 0.53 0.25 0.59 -1.22 0.00 0.00 177.39 178.02 1daq n ASN 42 N 0.00 -0.03 -3.56 -1.43 4.13 -1.26 -5.01 115.26 108.10 1daq n ASN 42 Ca 0.00 -1.39 -0.19 0.00 1.68 0.00 0.00 54.58 54.68 1daq n ASN 42 Cb 0.61 -0.05 0.07 0.00 -1.54 0.00 0.00 39.78 38.87 1daq n ASN 42 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1daq n GLU 43 N 0.02 -6.01 -0.01 3.52 1.02 -1.26 -4.90 120.64 113.02 1daq n GLU 43 Ca -0.02 0.75 -0.01 0.00 -0.02 0.00 0.00 57.16 57.87 1daq n GLU 43 Cb 0.59 -5.59 -0.01 0.00 -0.02 0.00 0.00 31.44 26.41 1daq n GLU 43 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1daq n ASP 44 N -3.09 4.22 0.00 1.62 8.00 -1.26 -5.07 116.55 120.98 1daq n ASP 44 Ca -0.27 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1daq n ASP 44 Cb 0.66 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1daq n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1daq n GLY 45 N 3.26 3.19 0.00 0.44 0.00 -1.26 -4.92 105.19 105.90 1daq n GLY 45 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1daq n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1daq n ARG 46 N 0.00 0.00 -3.31 1.61 3.00 -1.26 -3.01 116.66 113.68 1daq n ARG 46 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.65 1daq n ARG 46 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1daq n ARG 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1daq s VAL 47 N 0.35 -0.22 0.27 1.55 -7.23 -1.26 -4.55 120.40 109.31 1daq s VAL 47 Ca 0.00 -1.40 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1daq s VAL 47 Cb 0.00 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.19 1daq s VAL 47 CO 0.00 -0.70 1.65 0.78 -0.31 0.00 0.00 175.10 176.52 1daq h ASN 48 N 6.54 0.26 0.00 4.85 -0.26 -1.96 -3.41 115.58 121.60 1daq h ASN 48 Ca 0.10 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1daq h ASN 48 Cb 1.02 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 1daq h ASN 48 CO 0.22 0.70 0.00 -1.20 -1.06 0.00 0.00 177.43 176.09 1daq n SER 49 N -3.97 0.00 -0.03 5.81 7.64 -1.26 -4.95 113.62 116.86 1daq n SER 49 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 1daq n SER 49 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 1daq n SER 49 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1daq h THR 50 N 0.00 1.48 0.04 0.44 2.02 -1.97 -3.13 112.91 111.79 1daq h THR 50 Ca 0.00 -1.44 -0.21 0.00 0.77 0.00 0.00 66.41 65.53 1daq h THR 50 Cb 0.00 2.45 0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1daq h THR 50 CO 0.00 0.38 -0.82 0.44 0.37 0.00 0.00 175.52 175.88 1daq h ASP 51 N -0.58 0.66 -0.97 4.18 5.19 -1.90 -3.24 116.42 119.76 1daq h ASP 51 Ca -0.00 -0.79 0.19 0.00 -0.62 0.00 0.00 57.03 55.81 1daq h ASP 51 Cb 0.62 -0.21 -0.18 0.00 0.18 0.00 0.00 39.33 39.75 1daq h ASP 51 CO 0.00 1.37 -0.24 -0.11 -3.12 0.00 0.00 179.24 177.15 1daq n LEU 52 N -4.06 -0.35 0.30 1.55 7.94 -1.25 0.96 117.00 122.09 1daq n LEU 52 Ca -0.11 1.66 -0.12 0.00 -1.11 0.00 0.00 56.01 56.32 1daq n LEU 52 Cb 0.79 -0.50 -0.06 0.00 0.53 0.00 0.00 43.42 44.17 1daq n LEU 52 CO 0.51 -1.59 0.52 1.23 -1.11 0.00 0.00 177.39 176.95 1daq h GLY 53 N 0.00 -0.90 -0.45 -3.96 0.00 -1.60 0.04 103.07 96.21 1daq h GLY 53 Ca 0.46 0.35 0.34 0.00 0.00 0.00 0.00 47.33 48.49 1daq h GLY 53 CO -0.99 -0.32 0.83 -2.22 0.00 0.00 0.00 176.54 173.83 1daq h ILE 54 N -0.79 0.39 0.60 2.60 1.08 -0.99 0.67 117.51 121.08 1daq h ILE 54 Ca -0.08 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1daq h ILE 54 Cb 0.62 0.26 0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1daq h ILE 54 CO 0.11 0.02 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.23 1daq h LEU 55 N 0.13 -0.69 0.00 1.44 -0.00 0.12 0.38 115.31 116.69 1daq h LEU 55 Ca 0.62 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.52 1daq h LEU 55 Cb 2.14 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.98 1daq h LEU 55 CO -0.13 -0.39 0.00 2.29 -0.00 0.00 0.00 178.44 180.21 1daq n LYS 56 N -4.77 0.14 -0.08 1.13 -0.00 0.10 0.21 118.16 114.89 1daq n LYS 56 Ca -0.10 0.18 -0.23 0.00 -0.00 0.00 0.00 58.31 58.16 1daq n LYS 56 Cb 0.32 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.73 1daq n LYS 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1daq n ARG 57 N -1.24 0.62 -0.01 -1.58 0.63 0.21 -3.89 116.66 111.40 1daq n ARG 57 Ca 0.04 0.43 -0.13 0.00 -0.92 0.00 0.00 57.85 57.28 1daq n ARG 57 Cb 0.06 -1.69 -0.14 0.00 0.45 0.00 0.00 32.46 31.14 1daq n ARG 57 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1daq n TYR 58 N -4.11 1.06 0.47 -0.14 0.18 0.13 -3.75 117.16 111.00 1daq n TYR 58 Ca -0.36 0.32 0.06 0.00 1.88 0.00 0.00 57.90 59.80 1daq n TYR 58 Cb 0.82 -1.17 0.28 0.00 -0.38 0.00 0.00 39.34 38.89 1daq n TYR 58 CO 0.00 0.00 0.00 0.44 -2.08 0.00 0.00 176.86 175.22 1daq n ILE 59 N -3.19 1.02 -0.22 -3.48 -6.64 0.56 0.45 119.36 107.86 1daq n ILE 59 Ca -0.23 0.25 0.08 0.00 -1.77 0.00 0.00 62.75 61.08 1daq n ILE 59 Cb 1.05 -1.04 0.35 0.00 -1.44 0.00 0.00 39.64 38.56 1daq n ILE 59 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 1daq h LEU 60 N 0.00 0.69 0.00 7.28 5.85 -1.67 -3.43 115.31 124.03 1daq h LEU 60 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1daq h LEU 60 Cb 0.19 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1daq h LEU 60 CO 0.00 0.42 0.00 2.29 -0.34 0.00 0.00 178.44 180.81 1daq n LYS 61 N -4.50 0.00 0.19 1.25 0.00 -1.01 -4.92 118.16 109.17 1daq n LYS 61 Ca 0.13 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.53 1daq n LYS 61 Cb 0.29 0.00 0.52 0.00 -0.00 0.00 0.00 35.03 35.83 1daq n LYS 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1daq h GLU 62 N 0.00 0.00 -3.30 -1.58 5.08 -1.40 -3.42 114.58 109.96 1daq h GLU 62 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1daq h GLU 62 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1daq h GLU 62 CO 0.00 0.00 1.18 1.51 -1.00 0.00 0.00 179.01 180.70 1daq n ILE 63 N -2.25 0.00 0.00 3.13 0.13 0.17 -3.18 119.36 117.36 1daq n ILE 63 Ca -0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 1daq n ILE 63 Cb 0.23 -0.30 0.00 0.00 -0.84 0.00 0.00 39.64 38.72 1daq n ILE 63 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1daq n ASP 64 N 6.67 0.00 0.00 9.51 2.03 -1.26 -4.97 116.55 128.53 1daq n ASP 64 Ca 0.44 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1daq n ASP 64 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1daq n ASP 64 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1daq n THR 65 N 0.00 0.00 -2.20 5.18 5.66 -1.19 -4.98 114.28 116.74 1daq n THR 65 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1daq n THR 65 Cb 0.00 -0.38 -0.01 0.00 -1.55 0.00 0.00 70.33 68.39 1daq n THR 65 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1daq n LEU 66 N -2.12 -5.11 -3.42 1.09 0.00 -1.26 -4.77 117.00 101.41 1daq n LEU 66 Ca 0.00 1.15 -0.35 0.00 0.00 0.00 0.00 56.01 56.81 1daq n LEU 66 Cb 0.23 -2.42 -0.03 0.00 0.00 0.00 0.00 43.42 41.21 1daq n LEU 66 CO 0.00 -2.22 2.63 -0.81 0.00 0.00 0.00 177.39 176.99 1daq n PRO 67 N 0.73 2.50 -1.50 1.96 -0.04 -1.26 -4.91 135.00 132.48 1daq n PRO 67 Ca -0.13 -1.95 -0.60 0.00 -0.04 0.00 0.00 63.50 60.77 1daq n PRO 67 Cb 0.20 -2.81 -0.09 0.00 -0.04 0.00 0.00 33.50 30.76 1daq n PRO 67 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1daq n TYR 68 N 5.18 1.49 -3.89 0.54 0.18 -1.26 -4.91 117.16 114.48 1daq n TYR 68 Ca 0.56 0.98 -0.10 0.00 1.88 0.00 0.00 57.90 61.21 1daq n TYR 68 Cb 0.27 -2.04 -0.09 0.00 -0.38 0.00 0.00 39.34 37.10 1daq n TYR 68 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1daq s LYS 69 N 3.27 0.65 0.63 -3.48 2.20 -1.26 -5.17 119.74 116.59 1daq s LYS 69 Ca 0.98 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 55.80 1daq s LYS 69 Cb -1.36 0.26 0.03 0.00 -1.51 0.00 0.00 37.83 35.24 1daq s LYS 69 CO 0.72 -0.18 0.95 1.21 -0.36 0.00 0.00 175.35 177.69 1daq s ASN 70 N -2.18 5.34 0.00 1.43 3.84 -1.26 -4.87 114.94 117.25 1daq s ASN 70 Ca -0.04 0.67 0.00 0.00 0.21 0.00 0.00 52.86 53.69 1daq s ASN 70 Cb -0.01 -1.53 0.00 0.00 -0.55 0.00 0.00 41.25 39.16 1daq s ASN 70 CO -0.05 -1.25 0.00 0.61 -2.79 0.00 0.00 177.10 173.62