#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu s SER 2 N 0.00 3.19 0.52 1.61 1.04 -1.26 -5.11 113.70 113.69 2diu s SER 2 Ca 0.00 -3.17 -0.22 0.00 0.48 0.00 0.00 55.95 53.04 2diu s SER 2 Cb 0.00 -0.99 -0.06 0.00 0.10 0.00 0.00 66.02 65.07 2diu s SER 2 CO 0.00 -0.17 1.23 -0.94 0.98 0.00 0.00 173.24 174.33 2diu s SER 3 N -0.32 5.69 0.09 7.02 1.04 -1.26 -4.73 113.70 121.23 2diu s SER 3 Ca 0.26 2.45 0.00 0.00 0.48 0.00 0.00 55.95 59.13 2diu s SER 3 Cb -0.07 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2diu s SER 3 CO -0.13 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.45 2diu n GLY 4 N 0.52 -2.05 3.66 7.32 0.00 -1.26 -4.82 105.19 108.56 2diu n GLY 4 Ca 0.10 -1.41 -0.56 0.00 0.00 0.00 0.00 46.02 44.14 2diu n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2diu n SER 5 N 0.04 1.91 -3.94 1.61 2.88 -1.26 -4.92 113.62 109.94 2diu n SER 5 Ca 0.00 1.10 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 2diu n SER 5 Cb 0.02 -1.13 -0.14 0.00 -0.75 0.00 0.00 64.21 62.21 2diu n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diu s SER 6 N 2.17 4.42 0.00 -3.46 1.04 -1.26 -5.06 113.70 111.55 2diu s SER 6 Ca 0.93 -3.21 0.00 0.00 0.48 0.00 0.00 55.95 54.15 2diu s SER 6 Cb -1.06 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2diu s SER 6 CO 0.59 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2diu n GLY 7 N 2.85 -2.61 0.12 7.32 0.00 -1.26 -4.66 105.19 106.94 2diu n GLY 7 Ca 0.08 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 2diu n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu n HIS 9 N -3.41 -2.04 -3.68 0.00 -0.00 -1.26 -4.74 115.22 100.09 2diu n HIS 9 Ca -0.23 -0.20 -0.27 0.00 -0.00 0.00 0.00 57.72 57.02 2diu n HIS 9 Cb 1.05 -1.53 -0.17 0.00 -0.00 0.00 0.00 29.99 29.34 2diu n HIS 9 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2diu s THR 10 N -2.24 0.28 0.24 1.59 2.01 -0.08 -4.87 115.64 112.57 2diu s THR 10 Ca 0.60 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 2diu s THR 10 Cb -0.16 -0.86 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 2diu s THR 10 CO 0.60 -0.25 0.54 -0.76 -0.69 0.00 0.00 174.62 174.05 2diu s LEU 11 N 1.97 4.14 0.17 4.42 1.43 -1.26 -0.64 118.68 128.91 2diu s LEU 11 Ca 0.00 0.83 0.10 0.00 -1.03 0.00 0.00 54.13 54.03 2diu s LEU 11 Cb -0.17 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2diu s LEU 11 CO -0.09 -0.10 -0.16 -0.76 0.23 0.00 0.00 176.35 175.47 2diu s LEU 12 N -3.03 2.74 -0.26 1.79 1.43 -0.42 -4.81 118.68 116.13 2diu s LEU 12 Ca 0.46 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2diu s LEU 12 Cb -0.11 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.69 2diu s LEU 12 CO 0.24 0.13 -0.07 -0.31 0.23 0.00 0.00 176.35 176.57 2diu s TYR 13 N -1.54 2.94 0.17 0.29 2.02 0.05 -1.80 117.35 119.49 2diu s TYR 13 Ca 0.22 -2.16 -0.09 0.00 -0.37 0.00 0.00 57.07 54.67 2diu s TYR 13 Cb -0.09 -1.88 -0.07 0.00 -0.40 0.00 0.00 41.96 39.53 2diu s TYR 13 CO 0.12 -0.85 0.48 0.08 -1.57 0.00 0.00 175.55 173.82 2diu s VAL 14 N 1.21 5.00 0.21 0.71 1.01 0.38 -0.78 120.40 128.14 2diu s VAL 14 Ca -0.06 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2diu s VAL 14 Cb -0.19 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2diu s VAL 14 CO -0.06 0.07 0.16 -0.31 0.00 0.00 0.00 175.10 174.95 2diu s TYR 15 N -1.65 1.17 -1.09 5.22 1.51 0.15 -0.70 117.35 121.96 2diu s TYR 15 Ca 0.42 -1.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.09 2diu s TYR 15 Cb -0.12 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 2diu s TYR 15 CO 0.21 -0.67 0.92 0.09 -1.11 0.00 0.00 175.55 174.98 2diu n ASN 16 N -0.37 -3.17 -4.92 2.29 3.02 0.07 -1.22 115.26 110.96 2diu n ASN 16 Ca 0.02 -0.60 -0.29 0.00 -0.03 0.00 0.00 54.58 53.68 2diu n ASN 16 Cb 0.66 -4.85 -0.04 0.00 -0.61 0.00 0.00 39.78 34.93 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2diu s LEU 17 N -5.86 4.25 -0.94 3.41 1.43 -0.45 -4.35 118.68 116.18 2diu s LEU 17 Ca 0.11 0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 53.42 2diu s LEU 17 Cb -0.01 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 2diu s LEU 17 CO 0.69 0.01 1.94 -2.16 0.23 0.00 0.00 176.35 177.06 2diu s PRO 18 N -3.01 2.55 0.32 1.29 0.04 -1.26 -4.67 135.00 130.27 2diu s PRO 18 Ca 0.39 -0.41 0.06 0.00 0.04 0.00 0.00 61.00 61.08 2diu s PRO 18 Cb -0.12 -5.09 0.70 0.00 0.04 0.00 0.00 34.50 30.04 2diu s PRO 18 CO 0.27 -3.45 1.85 0.00 0.04 0.00 0.00 177.00 175.72 2diu h ALA 19 N 11.07 1.69 -0.18 8.56 0.00 -1.95 -1.78 119.26 136.68 2diu h ALA 19 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2diu h ALA 19 Cb 1.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2diu h ALA 19 CO 1.21 0.06 0.08 -0.91 0.00 0.00 0.00 179.25 179.69 2diu h ASN 20 N 0.82 0.24 -1.76 0.00 2.35 -1.99 -3.41 115.58 111.83 2diu h ASN 20 Ca 0.47 -0.15 -0.59 0.00 -0.55 0.00 0.00 56.30 55.48 2diu h ASN 20 Cb 0.62 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 2diu h ASN 20 CO -0.23 0.33 1.50 0.29 -1.65 0.00 0.00 177.43 177.66 2diu n LYS 21 N -4.86 1.69 -1.25 0.81 4.76 -0.67 -4.81 118.16 113.83 2diu n LYS 21 Ca -0.04 0.43 -0.49 0.00 -2.87 0.00 0.00 58.31 55.34 2diu n LYS 21 Cb 0.11 -3.10 -0.07 0.00 -1.84 0.00 0.00 35.03 30.14 2diu n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2diu n ASP 22 N 11.75 0.44 -0.31 4.39 8.00 -1.26 -4.46 116.55 135.09 2diu n ASP 22 Ca 0.33 0.91 0.10 0.00 0.71 0.00 0.00 54.79 56.83 2diu n ASP 22 Cb 0.41 -0.70 0.22 0.00 -0.02 0.00 0.00 41.12 41.03 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2diu h GLY 23 N 3.05 1.01 -0.26 0.44 0.00 -1.87 0.51 103.07 105.94 2diu h GLY 23 Ca -0.37 0.17 0.25 0.00 0.00 0.00 0.00 47.33 47.38 2diu h GLY 23 CO 0.62 -0.41 0.47 0.07 0.00 0.00 0.00 176.54 177.29 2diu h LYS 24 N 0.04 0.41 -0.10 4.80 2.10 -2.00 0.23 116.57 122.05 2diu h LYS 24 Ca 0.51 -0.02 -0.17 0.00 -2.00 0.00 0.00 60.65 58.96 2diu h LYS 24 Cb 0.96 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 32.21 2diu h LYS 24 CO -0.85 0.27 -0.62 0.66 -2.00 0.00 0.00 179.45 176.92 2diu h SER 25 N 0.42 0.71 0.75 7.07 4.64 -0.32 -3.27 113.55 123.55 2diu h SER 25 Ca 0.61 -0.66 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2diu h SER 25 Cb 1.21 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2diu h SER 25 CO -0.54 1.26 -0.36 0.58 -0.87 0.00 0.00 176.83 176.90 2diu h VAL 26 N 0.22 0.00 -0.20 0.95 2.07 -0.02 -3.09 116.25 116.18 2diu h VAL 26 Ca -0.05 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2diu h VAL 26 Cb 1.26 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2diu h VAL 26 CO 0.13 0.00 -0.12 -1.54 0.02 0.00 0.00 177.57 176.06 2diu n SER 27 N -4.69 -0.21 -0.17 0.57 3.41 0.58 -1.13 113.62 111.97 2diu n SER 27 Ca -0.12 0.95 -0.04 0.00 -0.26 0.00 0.00 58.87 59.40 2diu n SER 27 Cb 0.39 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2diu n ASN 28 N -3.35 -0.43 -0.38 4.04 5.15 -1.23 0.16 115.26 119.22 2diu n ASN 28 Ca 0.00 1.14 0.32 0.00 -0.60 0.00 0.00 54.58 55.44 2diu n ASN 28 Cb 0.05 -0.30 0.59 0.00 -0.53 0.00 0.00 39.78 39.59 2diu n ASN 28 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2diu h ARG 29 N 0.00 0.12 0.09 1.20 9.65 -1.04 0.96 114.38 125.35 2diu h ARG 29 Ca 0.07 -0.01 -0.27 0.00 -1.10 0.00 0.00 59.98 58.67 2diu h ARG 29 Cb 0.17 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2diu h ARG 29 CO -0.38 0.08 -1.15 -0.07 2.80 0.00 0.00 179.97 181.25 2diu h LEU 30 N 0.12 0.66 -0.68 3.80 4.07 0.23 -3.28 115.31 120.23 2diu h LEU 30 Ca 0.81 -0.60 0.13 0.00 0.08 0.00 0.00 57.88 58.29 2diu h LEU 30 Cb 2.23 -0.21 -0.09 0.00 1.08 0.00 0.00 40.66 43.68 2diu h LEU 30 CO -0.57 1.43 0.21 0.03 -1.08 0.00 0.00 178.44 178.45 2diu h ARG 31 N 0.21 0.33 -0.02 1.13 3.08 0.54 -0.87 114.38 118.78 2diu h ARG 31 Ca -0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2diu h ARG 31 Cb 1.83 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.80 2diu h ARG 31 CO 0.21 0.22 0.01 0.00 -1.07 0.00 0.00 179.97 179.34 2diu h ARG 32 N 0.34 0.02 -0.00 0.04 2.47 -1.49 0.27 114.38 116.04 2diu h ARG 32 Ca 0.37 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2diu h ARG 32 Cb 0.56 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2diu h ARG 32 CO -0.42 0.02 0.00 -0.07 0.56 0.00 0.00 179.97 180.06 2diu h LEU 33 N 0.02 0.00 0.12 3.04 3.38 -1.36 -0.37 115.31 120.14 2diu h LEU 33 Ca 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 2diu h LEU 33 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2diu h LEU 33 CO -0.00 0.00 -1.73 0.77 0.09 0.00 0.00 178.44 177.57 2diu h SER 34 N 0.00 0.40 0.39 -0.43 4.64 -0.17 -2.94 113.55 115.43 2diu h SER 34 Ca 0.00 -0.88 -0.06 0.00 -0.47 0.00 0.00 61.79 60.38 2diu h SER 34 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2diu h SER 34 CO -0.00 1.75 -0.28 -0.78 -0.87 0.00 0.00 176.83 176.65 2diu h ASP 35 N -0.14 0.00 0.51 4.97 3.58 0.14 1.23 116.42 126.71 2diu h ASP 35 Ca -0.37 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.78 2diu h ASP 35 Cb 1.90 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 2diu h ASP 35 CO 0.06 0.28 -1.45 0.78 -2.88 0.00 0.00 179.24 176.03 2diu h ASN 36 N 0.00 0.38 1.23 2.28 4.21 -1.23 -3.32 115.58 119.14 2diu h ASN 36 Ca -0.00 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 57.01 2diu h ASN 36 Cb 0.55 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 2diu h ASN 36 CO 0.04 1.40 -0.70 0.00 -1.29 0.00 0.00 177.43 176.88 2diu n GLY 38 N 1.18 0.76 1.23 0.00 0.00 0.30 -4.66 105.19 104.01 2diu n GLY 38 Ca 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2diu n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2diu n GLY 39 N -0.23 1.76 3.05 -0.02 0.00 0.35 -3.90 105.19 106.20 2diu n GLY 39 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2diu n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2diu s LYS 40 N -2.05 0.30 -0.66 1.61 2.20 -0.61 -4.02 119.74 116.51 2diu s LYS 40 Ca 0.06 0.73 -0.26 0.00 -0.36 0.00 0.00 55.97 56.14 2diu s LYS 40 Cb -0.02 -0.16 -0.12 0.00 -1.51 0.00 0.00 37.83 36.03 2diu s LYS 40 CO 0.04 -0.45 2.43 1.55 -0.36 0.00 0.00 175.35 178.57 2diu n VAL 41 N 5.37 -0.05 0.04 4.02 3.14 -1.26 -1.09 118.33 128.50 2diu n VAL 41 Ca -0.06 -0.62 -0.11 0.00 -2.96 0.00 0.00 64.34 60.59 2diu n VAL 41 Cb 0.50 -2.20 -0.04 0.00 -1.06 0.00 0.00 33.84 31.03 2diu n VAL 41 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2diu h LEU 42 N 19.32 -0.86 -7.75 6.55 3.38 -0.05 -3.47 115.31 132.44 2diu h LEU 42 Ca -0.14 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2diu h LEU 42 Cb 1.19 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 42.22 2diu h LEU 42 CO 1.16 -0.34 0.30 -0.44 0.09 0.00 0.00 178.44 179.21 2diu s SER 43 N -4.90 -0.28 -0.24 -0.43 0.01 -1.01 -5.02 113.70 101.83 2diu s SER 43 Ca -0.15 -0.46 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2diu s SER 43 Cb 0.10 0.64 0.08 0.00 0.21 0.00 0.00 66.02 67.04 2diu s SER 43 CO 0.66 -1.16 0.07 -0.63 0.41 0.00 0.00 173.24 172.59 2diu s ILE 44 N -3.71 0.46 -0.08 1.44 1.01 -1.26 -0.90 121.20 118.15 2diu s ILE 44 Ca 0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 2diu s ILE 44 Cb -0.04 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 2diu s ILE 44 CO 0.03 -0.44 -0.04 0.42 0.00 0.00 0.00 174.94 174.91 2diu s THR 45 N 1.86 3.97 0.00 2.92 -4.23 -0.23 -4.97 115.64 114.96 2diu s THR 45 Ca 0.04 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2diu s THR 45 Cb -0.17 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2diu s THR 45 CO -0.18 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2diu n GLY 46 N 2.29 1.74 1.22 3.99 0.00 -1.26 0.23 105.19 113.40 2diu n GLY 46 Ca -0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 2diu n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s SER 48 N -0.19 1.50 0.18 0.00 1.04 0.14 -0.75 113.70 115.61 2diu s SER 48 Ca 0.23 -1.15 -0.09 0.00 0.48 0.00 0.00 55.95 55.42 2diu s SER 48 Cb 0.18 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2diu s SER 48 CO 0.06 -0.50 0.30 0.00 0.98 0.00 0.00 173.24 174.08 2diu s ALA 49 N -3.52 0.08 -0.03 5.32 0.00 0.12 -1.07 121.76 122.65 2diu s ALA 49 Ca 0.23 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2diu s ALA 49 Cb 0.05 0.95 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2diu s ALA 49 CO 0.04 -0.68 -0.00 0.42 0.00 0.00 0.00 175.76 175.54 2diu s ILE 50 N -3.99 0.20 0.30 0.00 1.01 -0.08 -0.47 121.20 118.16 2diu s ILE 50 Ca 0.20 0.08 0.11 0.00 0.00 0.00 0.00 60.65 61.04 2diu s ILE 50 Cb 0.03 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 2diu s ILE 50 CO 0.03 0.15 -0.12 -0.76 0.00 0.00 0.00 174.94 174.24 2diu s LEU 51 N 1.06 2.74 -0.22 2.97 1.02 -0.74 0.68 118.68 126.18 2diu s LEU 51 Ca -0.09 -1.03 0.01 0.00 0.02 0.00 0.00 54.13 53.04 2diu s LEU 51 Cb -0.14 -1.17 0.05 0.00 0.02 0.00 0.00 46.19 44.96 2diu s LEU 51 CO -0.02 -0.07 -0.10 -0.60 0.02 0.00 0.00 176.35 175.59 2diu s ARG 52 N -3.58 2.05 0.02 1.70 6.06 -0.25 -1.30 118.95 123.65 2diu s ARG 52 Ca 0.31 -1.02 0.02 0.00 -2.50 0.00 0.00 55.73 52.55 2diu s ARG 52 Cb -0.02 -2.60 -0.04 0.00 0.06 0.00 0.00 34.95 32.35 2diu s ARG 52 CO 0.16 -0.49 -0.00 -0.06 -2.50 0.00 0.00 175.30 172.41 2diu s PHE 53 N 1.31 3.04 0.16 5.12 0.40 0.19 -1.58 117.98 126.62 2diu s PHE 53 Ca -0.04 0.05 -0.22 0.00 -0.60 0.00 0.00 56.93 56.12 2diu s PHE 53 Cb -0.18 -1.64 0.06 0.00 0.51 0.00 0.00 43.02 41.77 2diu s PHE 53 CO -0.07 0.46 1.62 0.97 0.70 0.00 0.00 175.22 178.90 2diu h ILE 54 N 3.40 0.34 -4.46 0.64 6.09 -1.83 -0.17 117.51 121.53 2diu h ILE 54 Ca -0.49 0.00 -0.36 0.00 -1.37 0.00 0.00 64.86 62.65 2diu h ILE 54 Cb 1.17 0.34 -0.10 0.00 0.47 0.00 0.00 36.82 38.71 2diu h ILE 54 CO 0.58 0.00 -0.32 0.54 -3.07 0.00 0.00 178.15 175.88 2diu s ASN 55 N -5.07 1.24 0.06 2.19 2.20 -1.26 -3.96 114.94 110.35 2diu s ASN 55 Ca -0.15 -1.61 -0.19 0.00 -0.94 0.00 0.00 52.86 49.97 2diu s ASN 55 Cb 0.13 0.62 -0.08 0.00 -2.00 0.00 0.00 41.25 39.92 2diu s ASN 55 CO 0.68 -1.20 1.31 -0.61 -2.94 0.00 0.00 177.10 174.35 2diu h GLN 56 N 2.12 -0.35 0.00 3.55 4.15 -1.88 -2.38 115.11 120.32 2diu h GLN 56 Ca -0.27 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2diu h GLN 56 Cb 1.24 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2diu h GLN 56 CO 0.38 -0.23 0.00 -3.47 -1.93 0.00 0.00 178.83 173.58 2diu n ASP 57 N -4.17 0.00 -0.33 -0.69 2.03 -1.26 0.59 116.55 112.72 2diu n ASP 57 Ca -0.04 0.66 0.05 0.00 0.52 0.00 0.00 54.79 55.98 2diu n ASP 57 Cb 0.22 -0.33 0.12 0.00 -0.72 0.00 0.00 41.12 40.42 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2diu h SER 58 N 0.00 -0.88 -0.23 1.67 0.02 -1.79 0.35 113.55 112.69 2diu h SER 58 Ca 0.00 0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2diu h SER 58 Cb 0.00 0.58 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2diu h SER 58 CO 0.00 -0.31 0.08 0.00 -1.14 0.00 0.00 176.83 175.47 2diu h ALA 59 N 1.92 0.26 0.21 3.77 0.00 0.68 -3.02 119.26 123.09 2diu h ALA 59 Ca 0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2diu h ALA 59 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2diu h ALA 59 CO -0.96 -0.33 -0.40 0.93 0.00 0.00 0.00 179.25 178.49 2diu h GLU 60 N 0.20 -0.64 -1.06 0.00 5.08 0.32 0.62 114.58 119.10 2diu h GLU 60 Ca 0.10 0.04 0.31 0.00 -1.00 0.00 0.00 59.36 58.81 2diu h GLU 60 Cb 0.06 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2diu h GLU 60 CO -0.10 -0.42 1.13 0.00 -1.00 0.00 0.00 179.01 178.62 2diu h ARG 61 N -0.66 0.00 0.04 2.33 3.08 -1.20 1.28 114.38 119.25 2diu h ARG 61 Ca -0.02 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 2diu h ARG 61 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 2diu h ARG 61 CO -0.15 0.00 -2.11 0.00 -1.07 0.00 0.00 179.97 176.64 2diu n ALA 62 N -2.35 1.29 0.20 0.04 0.00 -0.11 -3.30 120.51 116.29 2diu n ALA 62 Ca 0.24 -0.91 0.07 0.00 0.00 0.00 0.00 53.44 52.84 2diu n ALA 62 Cb 1.46 -0.49 0.39 0.00 0.00 0.00 0.00 19.45 20.81 2diu n ALA 62 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2diu h GLN 63 N 0.02 0.00 0.00 0.00 -0.00 0.70 -0.42 115.11 115.41 2diu h GLN 63 Ca -0.45 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.13 2diu h GLN 63 Cb 2.04 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.51 2diu h GLN 63 CO 0.03 0.32 -1.12 1.57 0.00 0.00 0.00 178.83 179.64 2diu h LYS 64 N 0.00 0.00 0.00 1.69 5.09 -0.45 -3.25 116.57 119.65 2diu h LYS 64 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2diu h LYS 64 Cb 0.81 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.14 2diu h LYS 64 CO 0.04 0.14 -0.23 -0.09 -2.09 0.00 0.00 179.45 177.22 2diu h ARG 65 N 0.00 0.00 -0.46 0.07 9.65 -1.50 -3.38 114.38 118.76 2diu h ARG 65 Ca -0.07 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.91 2diu h ARG 65 Cb 1.26 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.75 2diu h ARG 65 CO 0.02 0.00 -0.16 0.52 2.80 0.00 0.00 179.97 183.15 2diu h MET 66 N -0.64 -0.06 -1.63 0.20 2.86 -1.30 0.16 114.93 114.52 2diu h MET 66 Ca 0.00 0.00 0.52 0.00 -2.06 0.00 0.00 59.70 58.16 2diu h MET 66 Cb 0.23 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.79 2diu h MET 66 CO 0.00 -0.04 1.12 -0.85 1.06 0.00 0.00 176.91 178.20 2diu n GLU 67 N -5.37 -0.02 -0.02 1.72 0.28 -1.23 0.23 120.64 116.23 2diu n GLU 67 Ca 0.04 1.16 0.08 0.00 -0.16 0.00 0.00 57.16 58.28 2diu n GLU 67 Cb 0.28 -2.46 -0.16 0.00 1.43 0.00 0.00 31.44 30.53 2diu n GLU 67 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2diu n ASN 68 N -4.33 0.17 -4.61 -1.84 4.13 0.22 -4.54 115.26 104.47 2diu n ASN 68 Ca 0.42 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.39 2diu n ASN 68 Cb 1.75 1.86 0.21 0.00 -1.54 0.00 0.00 39.78 42.06 2diu n ASN 68 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2diu s GLU 69 N -3.36 -0.11 -0.44 3.52 2.56 0.62 -4.91 118.70 116.58 2diu s GLU 69 Ca -0.08 0.63 0.02 0.00 0.00 0.00 0.00 54.97 55.54 2diu s GLU 69 Cb 0.13 -1.66 0.14 0.00 2.00 0.00 0.00 34.13 34.73 2diu s GLU 69 CO 0.87 -3.13 0.24 0.16 -0.56 0.00 0.00 175.26 172.84 2diu s ASP 70 N -3.11 3.60 0.22 -1.70 -4.77 -1.26 -3.35 116.67 106.30 2diu s ASP 70 Ca 0.67 -2.61 0.00 0.00 -3.30 0.00 0.00 52.55 47.30 2diu s ASP 70 Cb -0.21 -1.00 0.51 0.00 -1.09 0.00 0.00 42.92 41.14 2diu s ASP 70 CO 0.60 -0.27 1.14 0.55 0.70 0.00 0.00 175.17 177.89 2diu n VAL 71 N 3.55 -0.30 -3.15 2.11 3.14 -1.21 -4.27 118.33 118.20 2diu n VAL 71 Ca 0.09 1.61 0.05 0.00 -2.96 0.00 0.00 64.34 63.13 2diu n VAL 71 Cb 0.35 -2.33 -0.01 0.00 -1.06 0.00 0.00 33.84 30.79 2diu n VAL 71 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2diu s PHE 72 N -5.69 -0.60 -0.04 1.45 0.08 -1.26 -4.94 117.98 106.98 2diu s PHE 72 Ca -0.10 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.48 2diu s PHE 72 Cb 0.21 0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.83 2diu s PHE 72 CO 0.57 -0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.76 2diu n GLY 73 N 5.36 -0.17 3.52 4.36 0.00 -1.26 -4.79 105.19 112.21 2diu n GLY 73 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2diu n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2diu s ASN 74 N -1.40 -0.85 0.54 1.61 2.47 -1.26 -5.15 114.94 110.90 2diu s ASN 74 Ca 0.00 1.38 -0.21 0.00 0.42 0.00 0.00 52.86 54.45 2diu s ASN 74 Cb 0.00 1.98 -0.05 0.00 -1.45 0.00 0.00 41.25 41.73 2diu s ASN 74 CO 0.00 -0.22 1.31 -0.60 -3.72 0.00 0.00 177.10 173.87 2diu s ARG 75 N 2.79 3.18 0.23 0.43 3.52 -1.26 -3.30 118.95 124.53 2diu s ARG 75 Ca -0.05 2.11 0.12 0.00 -0.13 0.00 0.00 55.73 57.78 2diu s ARG 75 Cb -0.12 -2.22 -0.05 0.00 -1.56 0.00 0.00 34.95 31.00 2diu s ARG 75 CO -0.17 -1.12 -0.22 0.96 -0.81 0.00 0.00 175.30 173.94 2diu s ILE 76 N -1.37 2.39 0.02 4.11 -4.36 -1.21 -4.78 121.20 116.00 2diu s ILE 76 Ca 0.72 -2.19 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 2diu s ILE 76 Cb -0.37 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 2diu s ILE 76 CO 0.44 -0.24 -0.16 -0.63 0.24 0.00 0.00 174.94 174.59 2diu s ILE 77 N -2.04 2.95 -0.08 8.37 1.01 -0.36 -4.24 121.20 126.81 2diu s ILE 77 Ca 0.25 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.86 2diu s ILE 77 Cb -0.07 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2diu s ILE 77 CO 0.12 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 2diu s VAL 78 N -0.90 1.10 0.03 2.92 1.01 -1.26 0.32 120.40 123.61 2diu s VAL 78 Ca 0.15 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2diu s VAL 78 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2diu s VAL 78 CO 0.05 0.36 -0.06 -0.55 0.00 0.00 0.00 175.10 174.90 2diu s SER 79 N 1.00 0.65 0.28 3.32 0.15 0.04 -4.93 113.70 114.21 2diu s SER 79 Ca -0.08 -0.46 0.15 0.00 0.70 0.00 0.00 55.95 56.26 2diu s SER 79 Cb -0.15 0.04 0.10 0.00 -1.71 0.00 0.00 66.02 64.30 2diu s SER 79 CO -0.00 -0.18 1.46 -0.26 1.20 0.00 0.00 173.24 175.45 2diu h PHE 80 N 4.79 0.00 -2.44 3.44 -1.00 -1.87 0.17 116.94 120.03 2diu h PHE 80 Ca -0.33 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 59.88 2diu h PHE 80 Cb 1.20 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.67 2diu h PHE 80 CO 0.61 0.51 -0.63 0.95 -1.61 0.00 0.00 178.31 178.13 2diu s THR 81 N -3.00 3.67 0.34 -1.55 -4.23 -1.26 -4.76 115.64 104.85 2diu s THR 81 Ca 0.04 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 2diu s THR 81 Cb 0.08 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 2diu s THR 81 CO 0.74 -0.28 1.21 -2.16 -0.54 0.00 0.00 174.62 173.60 2diu s PRO 82 N -3.44 4.35 0.36 3.99 0.04 -1.26 -4.89 135.00 134.14 2diu s PRO 82 Ca 0.30 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.42 2diu s PRO 82 Cb -0.08 -3.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 2diu s PRO 82 CO 0.20 -0.12 0.50 0.15 0.04 0.00 0.00 177.00 177.77 2diu s LYS 83 N -1.83 3.05 -1.21 4.56 1.02 -1.26 -4.55 119.74 119.51 2diu s LYS 83 Ca 0.50 -1.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 2diu s LYS 83 Cb -0.35 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2diu s LYS 83 CO 0.46 -0.02 1.05 -1.71 -0.92 0.00 0.00 175.35 174.21 2diu n ASN 84 N -1.69 -5.13 -2.58 2.83 2.85 -1.26 -4.94 115.26 105.34 2diu n ASN 84 Ca 0.02 -0.51 -0.13 0.00 -0.11 0.00 0.00 54.58 53.84 2diu n ASN 84 Cb 0.58 -4.68 0.03 0.00 1.24 0.00 0.00 39.78 36.95 2diu n ASN 84 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2diu n ARG 85 N -4.47 2.12 -3.28 1.20 5.12 -1.26 -5.02 116.66 111.06 2diu n ARG 85 Ca -0.05 -3.72 0.03 0.00 -1.93 0.00 0.00 57.85 52.18 2diu n ARG 85 Cb 0.58 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 30.16 2diu n ARG 85 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2diu s GLU 86 N -3.43 0.21 0.37 5.56 -1.05 -1.26 -5.15 118.70 113.95 2diu s GLU 86 Ca 0.35 0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 55.50 2diu s GLU 86 Cb 0.41 0.29 -0.13 0.00 -0.44 0.00 0.00 34.13 34.26 2diu s GLU 86 CO -0.03 -0.11 -0.02 1.47 0.95 0.00 0.00 175.26 177.52 2diu n LEU 87 N 5.02 -2.68 -4.55 1.83 -0.00 -1.26 -4.74 117.00 110.62 2diu n LEU 87 Ca -0.08 0.60 -0.43 0.00 -0.00 0.00 0.00 56.01 56.10 2diu n LEU 87 Cb 0.53 -0.71 -0.01 0.00 -0.00 0.00 0.00 43.42 43.24 2diu n LEU 87 CO -0.06 -3.68 1.73 0.00 -0.00 0.00 0.00 177.39 175.38 2diu s GLU 89 N 3.74 0.55 0.00 0.00 2.56 -1.26 -5.10 118.70 119.20 2diu s GLU 89 Ca 0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 54.97 55.38 2diu s GLU 89 Cb 0.02 0.26 -0.02 0.00 2.00 0.00 0.00 34.13 36.38 2diu s GLU 89 CO 0.03 -0.21 -0.11 2.41 -0.56 0.00 0.00 175.26 176.82 2diu n THR 90 N 0.31 1.18 0.01 -1.70 -1.04 -1.26 -5.00 114.28 106.78 2diu n THR 90 Ca -0.07 0.30 -0.02 0.00 -2.04 0.00 0.00 64.05 62.22 2diu n THR 90 Cb 0.59 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 2diu n THR 90 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2diu n SER 91 N -3.68 0.76 0.00 8.00 2.88 -1.26 -5.15 113.62 115.18 2diu n SER 91 Ca -0.04 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2diu n SER 91 Cb 0.16 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2diu n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diu n GLY 92 N 3.07 0.59 0.16 0.46 0.00 -1.26 -4.84 105.19 103.38 2diu n GLY 92 Ca -0.04 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2diu n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diu h PRO 93 N 0.00 0.00 -4.21 1.61 0.13 -2.06 -3.45 132.00 124.02 2diu h PRO 93 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2diu h PRO 93 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2diu h PRO 93 CO 0.00 0.00 1.40 0.45 -0.23 0.00 0.00 178.00 179.62 2diu n SER 94 N -2.43 0.29 -4.41 1.44 2.88 -1.26 -4.85 113.62 105.27 2diu n SER 94 Ca 0.02 0.20 -0.29 0.00 -1.33 0.00 0.00 58.87 57.47 2diu n SER 94 Cb 0.24 -0.75 0.21 0.00 -0.75 0.00 0.00 64.21 63.16 2diu n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2diu s SER 95 N 7.09 1.74 0.00 -3.46 0.01 -1.26 -5.05 113.70 112.76 2diu s SER 95 Ca 1.10 1.08 0.00 0.00 1.31 0.00 0.00 55.95 59.44 2diu s SER 95 Cb -1.06 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2diu s SER 95 CO 0.42 -3.67 0.00 0.61 0.41 0.00 0.00 173.24 171.01