#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 6.39 0.80 1.61 0.01 -1.26 -5.02 113.70 116.23 2diu s SER 2 Ca 0.00 -1.50 -0.15 0.00 1.31 0.00 0.00 55.95 55.61 2diu s SER 2 Cb 0.00 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2diu s SER 2 CO 0.00 -1.26 0.48 -1.20 0.41 0.00 0.00 173.24 171.67 2diu n SER 3 N 7.16 -1.52 -0.22 2.44 7.64 -1.26 -4.54 113.62 123.32 2diu n SER 3 Ca 0.09 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2diu n SER 3 Cb 0.47 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2diu n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diu n GLY 4 N 1.62 0.91 3.47 0.23 0.00 -1.26 -5.03 105.19 105.13 2diu n GLY 4 Ca 0.09 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 2diu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2diu s SER 5 N -2.15 6.50 -0.47 1.61 1.04 -1.26 -4.95 113.70 114.02 2diu s SER 5 Ca 0.00 -1.70 0.04 0.00 0.48 0.00 0.00 55.95 54.77 2diu s SER 5 Cb 0.00 -2.43 0.12 0.00 0.10 0.00 0.00 66.02 63.81 2diu s SER 5 CO 0.00 -1.22 0.20 -0.44 0.98 0.00 0.00 173.24 172.76 2diu s SER 6 N 3.84 4.45 0.15 7.02 0.01 -1.26 -4.65 113.70 123.26 2diu s SER 6 Ca 0.32 -2.78 0.00 0.00 1.31 0.00 0.00 55.95 54.80 2diu s SER 6 Cb -0.07 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2diu s SER 6 CO -0.05 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2diu n GLY 7 N 3.42 -1.58 0.14 3.44 0.00 -1.26 -5.01 105.19 104.34 2diu n GLY 7 Ca 0.05 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.26 -0.83 -3.89 0.00 -0.00 -1.26 -4.70 115.22 100.28 2diu n HIS 9 Ca -0.52 0.28 -0.30 0.00 -0.00 0.00 0.00 57.72 57.18 2diu n HIS 9 Cb 0.86 -1.84 -0.16 0.00 -0.00 0.00 0.00 29.99 28.85 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 -2.46 1.30 0.12 1.59 2.01 -0.19 -4.93 115.64 113.08 2diu s THR 10 Ca 0.60 -1.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 2diu s THR 10 Cb -0.22 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 2diu s THR 10 CO 0.65 -0.16 0.38 -0.76 -0.69 0.00 0.00 174.62 174.04 2diu s LEU 11 N 1.49 4.28 0.25 4.42 1.43 -1.26 0.14 118.68 129.44 2diu s LEU 11 Ca -0.04 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 53.80 2diu s LEU 11 Cb -0.18 -3.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2diu s LEU 11 CO -0.07 0.08 -0.10 -0.76 0.23 0.00 0.00 176.35 175.74 2diu s LEU 12 N -2.46 2.92 -0.21 1.79 1.43 0.25 -4.83 118.68 117.57 2diu s LEU 12 Ca 0.39 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2diu s LEU 12 Cb -0.12 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.66 2diu s LEU 12 CO 0.23 0.04 -0.07 -0.31 0.23 0.00 0.00 176.35 176.46 2diu s TYR 13 N -2.23 2.31 0.14 0.29 2.02 0.22 -1.02 117.35 119.09 2diu s TYR 13 Ca 0.29 -1.61 -0.09 0.00 -0.37 0.00 0.00 57.07 55.29 2diu s TYR 13 Cb -0.07 -1.57 -0.06 0.00 -0.40 0.00 0.00 41.96 39.87 2diu s TYR 13 CO 0.17 -0.74 0.45 0.08 -1.57 0.00 0.00 175.55 173.94 2diu s VAL 14 N 1.43 5.04 0.26 0.71 1.01 0.99 -0.27 120.40 129.57 2diu s VAL 14 Ca -0.03 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2diu s VAL 14 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2diu s VAL 14 CO -0.07 0.13 0.21 -0.31 0.00 0.00 0.00 175.10 175.06 2diu s TYR 15 N -1.58 1.40 -1.16 5.22 1.51 0.23 -0.69 117.35 122.28 2diu s TYR 15 Ca 0.39 -1.49 -0.02 0.00 -1.01 0.00 0.00 57.07 54.94 2diu s TYR 15 Cb -0.13 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2diu s TYR 15 CO 0.21 -0.77 0.94 0.09 -1.11 0.00 0.00 175.55 174.91 2diu n ASN 16 N -0.87 -3.41 -4.92 2.29 4.13 -0.71 -1.34 115.26 110.44 2diu n ASN 16 Ca 0.04 -0.67 -0.31 0.00 1.68 0.00 0.00 54.58 55.32 2diu n ASN 16 Cb 0.64 -5.02 -0.04 0.00 -1.54 0.00 0.00 39.78 33.83 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diu s LEU 17 N -6.10 4.34 -0.64 3.41 1.43 -0.87 -4.34 118.68 115.90 2diu s LEU 17 Ca 0.15 0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 53.31 2diu s LEU 17 Cb -0.02 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 2diu s LEU 17 CO 0.74 0.13 1.88 -2.16 0.23 0.00 0.00 176.35 177.17 2diu s PRO 18 N -2.62 2.61 0.19 1.29 0.04 -1.26 -4.73 135.00 130.52 2diu s PRO 18 Ca 0.36 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 2diu s PRO 18 Cb -0.13 -4.46 0.11 0.00 0.04 0.00 0.00 34.50 30.06 2diu s PRO 18 CO 0.27 -2.81 1.82 0.00 0.04 0.00 0.00 177.00 176.32 2diu h ALA 19 N 14.63 0.83 -0.48 8.56 0.00 -1.96 -2.80 119.26 138.05 2diu h ALA 19 Ca -0.22 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.66 2diu h ALA 19 Cb 1.15 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2diu h ALA 19 CO 1.22 0.32 0.18 -0.97 0.00 0.00 0.00 179.25 180.00 2diu h ASN 20 N 0.88 0.19 -2.10 0.00 -1.24 -2.01 -3.40 115.58 107.90 2diu h ASN 20 Ca 0.23 0.05 -0.57 0.00 0.71 0.00 0.00 56.30 56.72 2diu h ASN 20 Cb 0.01 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2diu h ASN 20 CO -0.04 0.14 1.42 -0.54 -1.29 0.00 0.00 177.43 177.12 2diu s LYS 21 N -6.13 3.39 -0.03 6.67 -0.14 -1.06 -4.83 119.74 117.61 2diu s LYS 21 Ca -0.13 2.18 -0.30 0.00 -1.36 0.00 0.00 55.97 56.36 2diu s LYS 21 Cb 0.14 -4.32 -0.15 0.00 -1.68 0.00 0.00 37.83 31.83 2diu s LYS 21 CO 0.73 -1.81 0.82 -0.25 -0.76 0.00 0.00 175.35 174.08 2diu n ASP 22 N 10.60 0.07 -0.13 2.83 9.92 -1.26 -4.54 116.55 134.04 2diu n ASP 22 Ca 0.27 0.85 -0.04 0.00 -0.53 0.00 0.00 54.79 55.34 2diu n ASP 22 Cb 0.44 -0.67 0.03 0.00 -0.64 0.00 0.00 41.12 40.28 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2diu h GLY 23 N 2.33 0.37 -0.14 0.44 0.00 -1.88 0.10 103.07 104.30 2diu h GLY 23 Ca -0.37 0.10 0.27 0.00 0.00 0.00 0.00 47.33 47.33 2diu h GLY 23 CO 0.50 -0.14 0.68 0.07 0.00 0.00 0.00 176.54 177.65 2diu h LYS 24 N 0.05 0.35 0.10 4.80 2.10 -2.01 0.50 116.57 122.46 2diu h LYS 24 Ca 0.21 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.64 2diu h LYS 24 Cb 0.32 -0.08 0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2diu h LYS 24 CO -0.40 0.23 -0.83 0.77 -2.00 0.00 0.00 179.45 177.22 2diu h SER 25 N 0.36 0.56 0.15 7.07 0.02 -1.37 -3.25 113.55 117.08 2diu h SER 25 Ca 0.59 -0.88 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2diu h SER 25 Cb 1.56 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 2diu h SER 25 CO -0.27 1.38 -0.23 0.58 -1.14 0.00 0.00 176.83 177.15 2diu h VAL 26 N -0.19 0.49 -0.80 2.27 2.07 0.56 -2.04 116.25 118.62 2diu h VAL 26 Ca -0.13 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.57 2diu h VAL 26 Cb 1.60 0.49 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 2diu h VAL 26 CO 0.16 0.00 0.25 0.77 0.02 0.00 0.00 177.57 178.77 2diu h SER 27 N -0.44 0.12 -0.53 0.57 4.64 -1.15 0.60 113.55 117.35 2diu h SER 27 Ca 0.02 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2diu h SER 27 Cb 0.45 0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2diu h SER 27 CO -0.11 -0.02 0.35 -1.13 -0.87 0.00 0.00 176.83 175.05 2diu h ASN 28 N 0.32 0.60 -0.72 4.97 -1.24 -1.46 0.26 115.58 118.31 2diu h ASN 28 Ca 0.47 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.50 2diu h ASN 28 Cb 0.82 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.68 2diu h ASN 28 CO -0.52 0.43 0.44 -0.09 -1.29 0.00 0.00 177.43 176.40 2diu h ARG 29 N 0.71 0.82 -0.19 6.67 9.65 -0.22 -2.50 114.38 129.31 2diu h ARG 29 Ca 0.20 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.82 2diu h ARG 29 Cb -0.07 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 28.33 2diu h ARG 29 CO -0.05 0.54 -0.71 -0.07 2.80 0.00 0.00 179.97 182.48 2diu h LEU 30 N 0.84 0.92 -0.84 3.80 4.07 -0.88 -3.25 115.31 119.97 2diu h LEU 30 Ca 0.30 -0.57 0.19 0.00 0.08 0.00 0.00 57.88 57.88 2diu h LEU 30 Cb 0.08 -0.27 -0.15 0.00 1.08 0.00 0.00 40.66 41.40 2diu h LEU 30 CO -0.14 1.37 -0.08 0.03 -1.08 0.00 0.00 178.44 178.55 2diu h ARG 31 N 0.56 0.04 -0.75 1.13 3.08 -0.03 0.48 114.38 118.90 2diu h ARG 31 Ca -0.03 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2diu h ARG 31 Cb 1.33 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 2diu h ARG 31 CO 0.15 0.03 0.35 0.00 -1.07 0.00 0.00 179.97 179.42 2diu h ARG 32 N 0.04 1.09 0.00 0.04 2.47 -1.56 0.22 114.38 116.67 2diu h ARG 32 Ca 0.45 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 2diu h ARG 32 Cb 0.79 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2diu h ARG 32 CO -0.80 0.86 -0.08 -0.07 0.56 0.00 0.00 179.97 180.43 2diu h LEU 33 N 1.06 0.00 0.00 3.04 3.38 -0.21 -2.57 115.31 120.01 2diu h LEU 33 Ca 0.26 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.95 2diu h LEU 33 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2diu h LEU 33 CO -0.03 0.08 -1.80 -0.24 0.09 0.00 0.00 178.44 176.54 2diu n SER 34 N -3.36 0.66 -0.12 -0.43 2.88 0.22 -3.84 113.62 109.63 2diu n SER 34 Ca -0.01 0.31 -0.10 0.00 -1.33 0.00 0.00 58.87 57.74 2diu n SER 34 Cb 0.26 0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2diu h ASP 35 N 0.00 0.53 -0.53 -3.46 3.58 -0.21 1.55 116.42 117.88 2diu h ASP 35 Ca -0.31 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 56.87 2diu h ASP 35 Cb 1.95 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.84 2diu h ASP 35 CO 0.06 0.60 0.13 -1.13 -2.88 0.00 0.00 179.24 176.03 2diu h ASN 36 N 0.44 0.84 -0.75 2.28 -0.73 -1.67 -2.32 115.58 113.66 2diu h ASN 36 Ca 0.12 -0.16 -0.38 0.00 1.87 0.00 0.00 56.30 57.75 2diu h ASN 36 Cb 0.27 -0.22 -0.23 0.00 0.27 0.00 0.00 38.32 38.41 2diu h ASN 36 CO -0.00 0.82 0.49 0.00 -0.37 0.00 0.00 177.43 178.36 2diu n GLY 38 N -0.72 -1.28 3.36 0.00 0.00 -0.79 -4.67 105.19 101.10 2diu n GLY 38 Ca 0.45 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.94 2diu n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2diu s GLY 39 N -2.96 1.31 -0.11 -0.02 0.00 0.52 -4.43 107.32 101.63 2diu s GLY 39 Ca 0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 2diu s GLY 39 CO 0.88 -1.14 0.16 1.25 0.00 0.00 0.00 173.10 174.25 2diu s LYS 40 N -3.85 0.06 -0.75 2.90 2.20 -0.96 -4.14 119.74 115.19 2diu s LYS 40 Ca 0.33 0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 56.09 2diu s LYS 40 Cb 0.03 -0.65 -0.07 0.00 -1.51 0.00 0.00 37.83 35.62 2diu s LYS 40 CO 0.14 -0.42 2.15 0.54 -0.36 0.00 0.00 175.35 177.41 2diu s VAL 41 N 2.27 3.22 0.12 4.02 0.11 -1.26 -1.53 120.40 127.36 2diu s VAL 41 Ca 0.04 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 2diu s VAL 41 Cb -0.13 -3.53 -0.08 0.00 -1.53 0.00 0.00 36.38 31.11 2diu s VAL 41 CO -0.07 -0.50 1.58 -0.07 -3.33 0.00 0.00 175.10 172.71 2diu h LEU 42 N 19.38 -1.35 -8.08 2.54 3.38 -1.47 -3.47 115.31 126.25 2diu h LEU 42 Ca -0.05 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2diu h LEU 42 Cb 1.07 0.53 -0.03 0.00 0.09 0.00 0.00 40.66 42.33 2diu h LEU 42 CO 1.14 -0.46 0.18 -0.44 0.09 0.00 0.00 178.44 178.95 2diu s SER 43 N -4.82 0.02 -0.22 -0.43 0.01 -1.10 -5.04 113.70 102.12 2diu s SER 43 Ca -0.16 -1.02 -0.04 0.00 1.31 0.00 0.00 55.95 56.05 2diu s SER 43 Cb 0.08 0.78 0.09 0.00 0.21 0.00 0.00 66.02 67.18 2diu s SER 43 CO 0.63 -1.51 0.17 -0.63 0.41 0.00 0.00 173.24 172.31 2diu s ILE 44 N -2.97 -0.21 -0.11 1.44 1.01 -1.26 -1.94 121.20 117.16 2diu s ILE 44 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 2diu s ILE 44 Cb -0.05 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 2diu s ILE 44 CO 0.11 -0.35 -0.05 0.42 0.00 0.00 0.00 174.94 175.07 2diu s THR 45 N 2.23 3.84 0.00 2.92 -4.23 -0.44 -4.97 115.64 114.98 2diu s THR 45 Ca 0.06 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2diu s THR 45 Cb -0.16 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2diu s THR 45 CO -0.18 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2diu n GLY 46 N 2.74 1.68 1.15 3.99 0.00 -1.26 -0.16 105.19 113.34 2diu n GLY 46 Ca -0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.02 1.08 0.13 0.00 1.04 0.78 -1.73 113.70 114.98 2diu s SER 48 Ca 0.18 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.20 2diu s SER 48 Cb 0.14 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2diu s SER 48 CO 0.04 -0.66 0.36 0.00 0.98 0.00 0.00 173.24 173.96 2diu s ALA 49 N -3.75 -0.67 -0.09 5.32 0.00 0.13 -1.33 121.76 121.37 2diu s ALA 49 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2diu s ALA 49 Cb 0.07 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.90 2diu s ALA 49 CO 0.08 -0.63 -0.08 0.42 0.00 0.00 0.00 175.76 175.55 2diu s ILE 50 N -3.84 0.96 0.27 0.00 1.01 -0.82 -0.00 121.20 118.77 2diu s ILE 50 Ca 0.06 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.51 2diu s ILE 50 Cb 0.02 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2diu s ILE 50 CO -0.09 0.34 0.05 -0.76 0.00 0.00 0.00 174.94 174.48 2diu s LEU 51 N 1.38 3.32 -0.11 2.97 1.02 -0.19 -1.18 118.68 125.89 2diu s LEU 51 Ca -0.02 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 53.56 2diu s LEU 51 Cb -0.14 -1.84 0.02 0.00 0.02 0.00 0.00 46.19 44.25 2diu s LEU 51 CO -0.04 -0.04 -0.16 -0.60 0.02 0.00 0.00 176.35 175.53 2diu s ARG 52 N -3.73 2.27 0.25 1.70 3.52 -0.58 -0.58 118.95 121.80 2diu s ARG 52 Ca 0.32 -0.58 0.11 0.00 -0.13 0.00 0.00 55.73 55.46 2diu s ARG 52 Cb -0.06 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.34 2diu s ARG 52 CO 0.21 -0.08 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.41 2diu s PHE 53 N 1.03 2.40 0.04 5.12 0.40 0.12 -2.27 117.98 124.83 2diu s PHE 53 Ca -0.05 -0.30 -0.22 0.00 -0.60 0.00 0.00 56.93 55.75 2diu s PHE 53 Cb -0.15 -1.09 -0.14 0.00 0.51 0.00 0.00 43.02 42.15 2diu s PHE 53 CO -0.02 0.64 1.45 0.97 0.70 0.00 0.00 175.22 178.95 2diu h ILE 54 N 2.41 1.27 -4.75 0.64 2.10 -1.82 -0.47 117.51 116.90 2diu h ILE 54 Ca -0.43 -0.89 -0.39 0.00 1.08 0.00 0.00 64.86 64.24 2diu h ILE 54 Cb 1.24 1.65 -0.13 0.00 -1.09 0.00 0.00 36.82 38.49 2diu h ILE 54 CO 0.57 0.25 -0.50 0.54 -1.08 0.00 0.00 178.15 177.93 2diu s ASN 55 N -5.75 1.19 0.04 2.19 2.20 -1.26 -4.05 114.94 109.49 2diu s ASN 55 Ca -0.14 -1.63 -0.21 0.00 -0.94 0.00 0.00 52.86 49.94 2diu s ASN 55 Cb 0.05 0.52 -0.11 0.00 -2.00 0.00 0.00 41.25 39.71 2diu s ASN 55 CO 0.71 -1.02 1.31 -0.61 -2.94 0.00 0.00 177.10 174.55 2diu h GLN 56 N 2.27 -0.66 -0.64 3.55 5.75 -1.91 -2.52 115.11 120.94 2diu h GLN 56 Ca -0.28 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.32 2diu h GLN 56 Cb 1.24 0.15 -0.08 0.00 1.07 0.00 0.00 27.48 29.86 2diu h GLN 56 CO 0.41 -0.44 -0.38 -3.47 -2.65 0.00 0.00 178.83 172.30 2diu n ASP 57 N -4.06 -0.68 -0.28 -0.69 2.03 -1.26 0.17 116.55 111.78 2diu n ASP 57 Ca -0.08 1.21 0.08 0.00 0.52 0.00 0.00 54.79 56.52 2diu n ASP 57 Cb 0.28 -0.18 0.23 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.26 -0.42 1.67 0.02 -1.88 -0.09 113.55 113.11 2diu h SER 58 Ca 0.10 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2diu h SER 58 Cb 0.26 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2diu h SER 58 CO -0.61 0.05 0.07 0.00 -1.14 0.00 0.00 176.83 175.20 2diu h ALA 59 N 1.62 0.56 0.16 3.77 0.00 0.22 -3.23 119.26 122.36 2diu h ALA 59 Ca 0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2diu h ALA 59 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2diu h ALA 59 CO -0.47 0.27 -0.19 0.93 0.00 0.00 0.00 179.25 179.79 2diu h GLU 60 N 0.55 -0.34 -1.29 0.00 5.08 0.14 0.20 114.58 118.91 2diu h GLU 60 Ca 0.13 0.02 0.42 0.00 -1.00 0.00 0.00 59.36 58.93 2diu h GLU 60 Cb 0.37 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2diu h GLU 60 CO 0.01 -0.23 0.87 0.54 -1.00 0.00 0.00 179.01 179.20 2diu n ARG 61 N -3.48 -0.02 0.05 2.33 1.74 -0.74 0.21 116.66 116.76 2diu n ARG 61 Ca -0.04 0.97 -0.22 0.00 -0.77 0.00 0.00 57.85 57.79 2diu n ARG 61 Cb 0.17 -2.01 -0.15 0.00 -1.02 0.00 0.00 32.46 29.45 2diu n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ALA 62 N 1.12 0.03 0.00 7.54 0.00 -1.34 -2.36 119.26 124.26 2diu h ALA 62 Ca 0.73 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2diu h ALA 62 Cb 2.57 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.67 2diu h ALA 62 CO -0.25 0.70 -0.18 0.37 0.00 0.00 0.00 179.25 179.88 2diu h GLN 63 N -0.19 0.00 0.00 0.00 -0.00 0.56 0.34 115.11 115.82 2diu h GLN 63 Ca -0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.36 2diu h GLN 63 Cb 1.85 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.32 2diu h GLN 63 CO 0.14 0.18 -1.08 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 -0.50 -3.26 116.57 119.59 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 0.35 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.68 2diu h LYS 64 CO 0.02 0.07 -0.21 -2.13 -2.09 0.00 0.00 179.45 175.11 2diu n ARG 65 N -2.74 0.19 -0.24 0.07 3.00 -0.82 -4.27 116.66 111.86 2diu n ARG 65 Ca -0.02 0.36 0.04 0.00 -0.00 0.00 0.00 57.85 58.23 2diu n ARG 65 Cb 0.62 -1.13 0.15 0.00 0.00 0.00 0.00 32.46 32.09 2diu n ARG 65 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2diu h MET 66 N -0.41 0.17 -0.99 -0.14 2.86 -0.57 0.31 114.93 116.16 2diu h MET 66 Ca 0.00 -0.01 0.33 0.00 -2.06 0.00 0.00 59.70 57.96 2diu h MET 66 Cb 0.21 -0.04 -0.18 0.00 0.06 0.00 0.00 31.60 31.66 2diu h MET 66 CO 0.00 0.11 0.27 1.05 1.06 0.00 0.00 176.91 179.40 2diu h GLU 67 N 0.17 0.03 0.00 1.72 4.11 -1.68 1.90 114.58 120.83 2diu h GLU 67 Ca 0.38 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2diu h GLU 67 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2diu h GLU 67 CO -0.56 0.02 -0.54 -0.91 0.07 0.00 0.00 179.01 177.10 2diu h ASN 68 N 0.03 0.00 -3.66 3.06 4.21 -1.16 -3.39 115.58 114.68 2diu h ASN 68 Ca 0.70 -0.01 -0.45 0.00 1.21 0.00 0.00 56.30 57.75 2diu h ASN 68 Cb 1.65 0.00 0.18 0.00 -1.12 0.00 0.00 38.32 39.03 2diu h ASN 68 CO -0.83 0.01 0.13 -1.61 -1.29 0.00 0.00 177.43 173.83 2diu s GLU 69 N -3.28 -0.06 -0.37 0.81 0.41 0.64 -4.91 118.70 111.94 2diu s GLU 69 Ca 0.03 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 2diu s GLU 69 Cb 0.08 -1.67 0.13 0.00 -1.78 0.00 0.00 34.13 30.89 2diu s GLU 69 CO 0.73 -3.11 0.19 -0.51 -0.49 0.00 0.00 175.26 172.07 2diu s ASP 70 N -3.07 3.49 0.19 -0.19 1.11 -1.26 -3.11 116.67 113.83 2diu s ASP 70 Ca 0.66 -2.14 -0.09 0.00 0.18 0.00 0.00 52.55 51.16 2diu s ASP 70 Cb -0.21 -0.72 0.27 0.00 1.07 0.00 0.00 42.92 43.33 2diu s ASP 70 CO 0.60 -0.33 1.15 0.55 1.18 0.00 0.00 175.17 178.32 2diu n VAL 71 N 4.15 -0.34 -3.16 -1.27 3.14 -1.06 -4.34 118.33 115.45 2diu n VAL 71 Ca 0.06 1.70 0.05 0.00 -2.96 0.00 0.00 64.34 63.19 2diu n VAL 71 Cb 0.38 -2.31 -0.02 0.00 -1.06 0.00 0.00 33.84 30.83 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 -5.83 -0.97 -0.61 1.45 0.08 -1.26 -4.93 117.98 105.91 2diu s PHE 72 Ca -0.11 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.01 2diu s PHE 72 Cb 0.18 0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.98 2diu s PHE 72 CO 0.55 -0.53 0.00 0.41 -0.10 0.00 0.00 175.22 175.55 2diu n GLY 73 N 5.44 0.55 3.40 4.36 0.00 -1.26 -4.82 105.19 112.86 2diu n GLY 73 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.48 -0.46 -0.05 1.61 2.47 -1.26 -5.16 114.94 110.62 2diu s ASN 74 Ca 0.00 0.42 -0.16 0.00 0.42 0.00 0.00 52.86 53.54 2diu s ASN 74 Cb 0.00 0.45 -0.05 0.00 -1.45 0.00 0.00 41.25 40.20 2diu s ASN 74 CO 0.00 -0.56 0.42 -0.60 -3.72 0.00 0.00 177.10 172.64 2diu s ARG 75 N -1.40 4.08 0.13 0.43 3.00 -1.26 -2.55 118.95 121.38 2diu s ARG 75 Ca -0.11 0.40 0.03 0.00 -1.00 0.00 0.00 55.73 55.05 2diu s ARG 75 Cb -0.02 -3.30 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 2diu s ARG 75 CO 0.06 0.50 0.20 0.96 0.00 0.00 0.00 175.30 177.03 2diu s ILE 76 N -0.45 4.97 -0.14 4.11 -4.36 -1.18 -4.83 121.20 119.32 2diu s ILE 76 Ca 0.24 -0.78 -0.01 0.00 -0.26 0.00 0.00 60.65 59.83 2diu s ILE 76 Cb -0.16 -3.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.01 2diu s ILE 76 CO 0.12 -0.04 -0.10 -0.63 0.24 0.00 0.00 174.94 174.53 2diu s ILE 77 N -1.67 3.34 -0.23 8.37 1.01 -0.45 -4.28 121.20 127.29 2diu s ILE 77 Ca 0.33 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2diu s ILE 77 Cb -0.11 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2diu s ILE 77 CO 0.26 0.51 -0.06 -0.69 0.00 0.00 0.00 174.94 174.97 2diu s VAL 78 N 0.34 3.11 0.03 2.92 1.01 -1.26 0.76 120.40 127.32 2diu s VAL 78 Ca -0.09 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2diu s VAL 78 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2diu s VAL 78 CO 0.05 0.34 -0.18 -0.55 0.00 0.00 0.00 175.10 174.76 2diu s SER 79 N 1.41 2.14 0.44 3.32 0.15 0.63 -4.94 113.70 116.86 2diu s SER 79 Ca 0.04 -0.47 0.24 0.00 0.70 0.00 0.00 55.95 56.46 2diu s SER 79 Cb -0.15 -0.18 0.45 0.00 -1.71 0.00 0.00 66.02 64.44 2diu s SER 79 CO -0.04 0.13 1.65 -0.26 1.20 0.00 0.00 173.24 175.91 2diu h PHE 80 N 5.01 0.00 -2.66 3.44 -1.00 -1.88 0.66 116.94 120.51 2diu h PHE 80 Ca -0.40 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.78 2diu h PHE 80 Cb 1.17 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.61 2diu h PHE 80 CO 0.50 0.00 -0.69 0.95 -1.61 0.00 0.00 178.31 177.46 2diu s THR 81 N -3.25 3.32 0.47 -1.55 -4.23 -1.26 -4.77 115.64 104.37 2diu s THR 81 Ca 0.07 -1.75 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 2diu s THR 81 Cb 0.06 -2.70 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 2diu s THR 81 CO 0.66 -0.22 1.16 -2.16 -0.54 0.00 0.00 174.62 173.51 2diu s PRO 82 N -3.18 3.70 -0.34 3.99 0.04 -1.26 -4.87 135.00 133.08 2diu s PRO 82 Ca 0.28 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2diu s PRO 82 Cb -0.08 -2.34 0.47 0.00 0.04 0.00 0.00 34.50 32.59 2diu s PRO 82 CO 0.17 -0.60 1.42 1.63 0.04 0.00 0.00 177.00 179.67 2diu n LYS 83 N -0.61 2.55 -0.00 4.56 5.02 -1.26 -4.74 118.16 123.68 2diu n LYS 83 Ca 0.08 -3.57 -0.12 0.00 -2.02 0.00 0.00 58.31 52.68 2diu n LYS 83 Cb 0.49 -2.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 2diu n LYS 83 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2diu h ASN 84 N 1.55 0.05 -2.04 4.39 -1.24 -2.06 -3.46 115.58 112.77 2diu h ASN 84 Ca 0.31 -0.31 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 2diu h ASN 84 Cb 1.43 -0.01 -0.13 0.00 0.73 0.00 0.00 38.32 40.34 2diu h ASN 84 CO 0.65 0.34 -0.59 -0.13 -1.29 0.00 0.00 177.43 176.41 2diu s ARG 85 N -4.98 1.89 -0.08 6.67 1.81 -1.26 -5.15 118.95 117.86 2diu s ARG 85 Ca -0.15 -2.09 0.05 0.00 -1.72 0.00 0.00 55.73 51.82 2diu s ARG 85 Cb 0.04 -1.37 -0.01 0.00 -0.45 0.00 0.00 34.95 33.16 2diu s ARG 85 CO 0.68 -0.14 -0.23 -1.21 -0.68 0.00 0.00 175.30 173.72 2diu s GLU 86 N -3.78 2.78 0.64 3.54 0.41 -1.26 -5.11 118.70 115.92 2diu s GLU 86 Ca 0.32 -0.86 0.04 0.00 -0.41 0.00 0.00 54.97 54.06 2diu s GLU 86 Cb 0.09 -2.27 0.10 0.00 -1.78 0.00 0.00 34.13 30.27 2diu s GLU 86 CO 0.16 0.32 0.88 -0.51 -0.49 0.00 0.00 175.26 175.62 2diu s LEU 87 N -0.00 3.08 -0.11 1.80 1.02 -1.26 -5.13 118.68 118.07 2diu s LEU 87 Ca -0.08 -0.52 -0.09 0.00 0.02 0.00 0.00 54.13 53.47 2diu s LEU 87 Cb -0.15 -1.95 0.03 0.00 0.02 0.00 0.00 46.19 44.14 2diu s LEU 87 CO 0.05 -1.57 0.29 0.00 0.02 0.00 0.00 176.35 175.14 2diu s GLU 89 N 0.51 4.10 0.16 0.00 0.41 -1.26 -5.09 118.70 117.53 2diu s GLU 89 Ca -0.03 0.33 0.10 0.00 -0.41 0.00 0.00 54.97 54.96 2diu s GLU 89 Cb -0.04 -3.33 -0.04 0.00 -1.78 0.00 0.00 34.13 28.93 2diu s GLU 89 CO -0.03 0.43 -0.23 0.95 -0.49 0.00 0.00 175.26 175.89 2diu s THR 90 N -0.22 2.15 -0.65 3.63 -4.23 -1.26 -5.04 115.64 110.01 2diu s THR 90 Ca 0.22 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 2diu s THR 90 Cb -0.15 -1.96 0.45 0.00 1.34 0.00 0.00 72.50 72.17 2diu s THR 90 CO 0.10 -0.09 1.98 -0.24 -0.54 0.00 0.00 174.62 175.83 2diu n SER 91 N 0.56 7.51 -1.38 3.99 2.88 -1.26 -5.02 113.62 120.91 2diu n SER 91 Ca -0.15 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.60 2diu n SER 91 Cb 0.55 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.89 -4.37 3.61 0.46 0.00 -1.26 -4.75 105.19 97.99 2diu n GLY 92 Ca 0.61 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2diu n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diu s PRO 93 N -4.19 3.50 -0.54 1.61 0.04 -1.26 -4.95 135.00 129.20 2diu s PRO 93 Ca 0.00 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2diu s PRO 93 Cb 0.00 -4.12 0.15 0.00 0.04 0.00 0.00 34.50 30.57 2diu s PRO 93 CO 0.00 -1.66 0.36 0.45 0.04 0.00 0.00 177.00 176.19 2diu s SER 94 N 5.20 3.74 0.06 6.66 0.15 -1.26 -4.95 113.70 123.30 2diu s SER 94 Ca 0.74 -3.22 -0.19 0.00 0.70 0.00 0.00 55.95 53.98 2diu s SER 94 Cb -0.21 -1.22 -0.13 0.00 -1.71 0.00 0.00 66.02 62.75 2diu s SER 94 CO 0.33 -0.17 1.38 0.77 1.20 0.00 0.00 173.24 176.74 2diu h SER 95 N 5.98 0.46 0.00 5.45 4.64 -2.02 -3.55 113.55 124.52 2diu h SER 95 Ca 0.09 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2diu h SER 95 Cb 0.85 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2diu h SER 95 CO 0.57 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.97