#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 5.57 -0.67 1.61 0.15 -1.26 -4.95 113.70 114.15 2diu s SER 2 Ca 0.00 -1.73 -0.02 0.00 0.70 0.00 0.00 55.95 54.90 2diu s SER 2 Cb 0.00 -1.96 0.41 0.00 -1.71 0.00 0.00 66.02 62.76 2diu s SER 2 CO 0.00 -0.59 2.05 -1.54 1.20 0.00 0.00 173.24 174.36 2diu n SER 3 N 4.85 7.58 0.00 5.45 3.41 -1.26 -4.90 113.62 128.74 2diu n SER 3 Ca -0.08 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 2diu n SER 3 Cb 0.42 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2diu n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diu n GLY 4 N -0.73 2.98 0.48 5.00 0.00 -1.26 -5.09 105.19 106.57 2diu n GLY 4 Ca 0.59 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 2diu n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2diu n SER 5 N 0.00 1.53 -4.52 1.61 7.64 -1.26 -4.86 113.62 113.76 2diu n SER 5 Ca 0.00 0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 2diu n SER 5 Cb 0.00 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2diu n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diu s SER 6 N -6.06 6.29 0.00 6.43 0.01 -1.26 -4.08 113.70 115.02 2diu s SER 6 Ca -0.19 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2diu s SER 6 Cb 0.04 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2diu s SER 6 CO 0.27 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2diu n GLY 7 N 5.72 -0.35 3.65 3.44 0.00 -1.26 -5.11 105.19 111.27 2diu n GLY 7 Ca 0.10 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 2diu n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s HIS 9 N 3.90 2.46 -0.31 0.00 0.09 -1.24 -4.47 115.29 115.72 2diu s HIS 9 Ca 0.59 1.48 0.02 0.00 -0.00 0.00 0.00 55.06 57.16 2diu s HIS 9 Cb -0.22 -3.55 0.08 0.00 -0.00 0.00 0.00 32.58 28.89 2diu s HIS 9 CO 0.19 -2.26 -0.00 0.99 -0.00 0.00 0.00 174.74 173.66 2diu s THR 10 N -1.50 2.39 0.27 1.30 2.01 -0.25 -4.93 115.64 114.94 2diu s THR 10 Ca 0.73 -1.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.59 2diu s THR 10 Cb -0.33 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 2diu s THR 10 CO 0.37 -0.34 0.73 -0.76 -0.69 0.00 0.00 174.62 173.93 2diu s LEU 11 N 1.03 4.20 0.12 4.42 1.43 -1.26 -1.64 118.68 126.97 2diu s LEU 11 Ca 0.02 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 2diu s LEU 11 Cb -0.20 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2diu s LEU 11 CO -0.06 -0.09 -0.03 -0.76 0.23 0.00 0.00 176.35 175.65 2diu s LEU 12 N -2.47 3.31 -0.23 1.79 1.43 0.15 -4.82 118.68 117.85 2diu s LEU 12 Ca 0.49 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2diu s LEU 12 Cb -0.13 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.08 2diu s LEU 12 CO 0.19 0.15 -0.13 -0.31 0.23 0.00 0.00 176.35 176.48 2diu s TYR 13 N -1.39 3.02 0.00 0.29 2.02 0.39 -1.15 117.35 120.53 2diu s TYR 13 Ca 0.25 -1.84 -0.02 0.00 -0.37 0.00 0.00 57.07 55.09 2diu s TYR 13 Cb -0.11 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2diu s TYR 13 CO 0.17 -0.81 0.16 0.08 -1.57 0.00 0.00 175.55 173.58 2diu s VAL 14 N 1.24 5.24 0.23 0.71 1.01 -0.12 -0.02 120.40 128.68 2diu s VAL 14 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2diu s VAL 14 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2diu s VAL 14 CO -0.08 0.30 0.17 -0.31 0.00 0.00 0.00 175.10 175.17 2diu s TYR 15 N -1.32 1.27 -1.16 5.22 1.51 0.98 -0.90 117.35 122.95 2diu s TYR 15 Ca 0.27 -1.43 -0.01 0.00 -1.01 0.00 0.00 57.07 54.89 2diu s TYR 15 Cb -0.13 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2diu s TYR 15 CO 0.19 -0.69 0.98 0.09 -1.11 0.00 0.00 175.55 175.00 2diu n ASN 16 N -0.53 -2.98 -4.89 2.29 4.13 -0.55 -1.13 115.26 111.60 2diu n ASN 16 Ca 0.03 -0.63 -0.30 0.00 1.68 0.00 0.00 54.58 55.36 2diu n ASN 16 Cb 0.65 -5.11 -0.03 0.00 -1.54 0.00 0.00 39.78 33.75 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 -6.13 3.97 -1.06 3.41 1.43 -0.59 -4.32 118.68 115.40 2diu s LEU 17 Ca 0.09 0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 53.88 2diu s LEU 17 Cb -0.01 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 2diu s LEU 17 CO 0.73 -0.27 1.94 -2.16 0.23 0.00 0.00 176.35 176.81 2diu s PRO 18 N -3.60 2.52 0.15 1.29 0.04 -1.26 -4.81 135.00 129.34 2diu s PRO 18 Ca 0.48 -0.78 -0.26 0.00 0.04 0.00 0.00 61.00 60.48 2diu s PRO 18 Cb -0.11 -5.16 -0.01 0.00 0.04 0.00 0.00 34.50 29.26 2diu s PRO 18 CO 0.29 -3.71 1.59 0.00 0.04 0.00 0.00 177.00 175.22 2diu h ALA 19 N 10.42 -0.40 -0.83 8.56 0.00 -1.93 -1.00 119.26 134.08 2diu h ALA 19 Ca 0.16 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2diu h ALA 19 Cb 0.97 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 2diu h ALA 19 CO 1.22 -0.83 0.15 -0.97 0.00 0.00 0.00 179.25 178.82 2diu h ASN 20 N -0.37 -0.12 -2.38 0.00 -1.24 -2.02 -3.38 115.58 106.07 2diu h ASN 20 Ca 0.12 0.19 -0.58 0.00 0.71 0.00 0.00 56.30 56.74 2diu h ASN 20 Cb 0.58 0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 2diu h ASN 20 CO -0.46 -0.15 1.37 -0.54 -1.29 0.00 0.00 177.43 176.36 2diu s LYS 21 N -6.01 3.26 -0.21 6.67 -0.14 -0.38 -4.85 119.74 118.08 2diu s LYS 21 Ca -0.13 1.70 -0.35 0.00 -1.36 0.00 0.00 55.97 55.84 2diu s LYS 21 Cb 0.24 -4.27 -0.16 0.00 -1.68 0.00 0.00 37.83 31.96 2diu s LYS 21 CO 0.76 -1.95 1.07 -0.25 -0.76 0.00 0.00 175.35 174.23 2diu n ASP 22 N 10.84 0.51 -0.30 2.83 8.00 -1.26 -4.54 116.55 132.62 2diu n ASP 22 Ca 0.26 0.94 -0.06 0.00 0.71 0.00 0.00 54.79 56.63 2diu n ASP 22 Cb 0.46 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 3.23 -0.34 -0.90 0.44 0.00 -1.88 -0.23 103.07 103.39 2diu h GLY 23 Ca -0.38 0.59 0.13 0.00 0.00 0.00 0.00 47.33 47.67 2diu h GLY 23 CO 0.66 -0.14 -0.37 1.17 0.00 0.00 0.00 176.54 177.86 2diu n LYS 24 N -5.40 -0.23 -0.14 4.80 4.81 -1.26 0.54 118.16 121.28 2diu n LYS 24 Ca 0.05 1.39 -0.09 0.00 -0.87 0.00 0.00 58.31 58.79 2diu n LYS 24 Cb 0.35 -2.06 -0.00 0.00 0.02 0.00 0.00 35.03 33.34 2diu n LYS 24 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2diu h SER 25 N 0.00 0.54 0.26 3.14 0.02 -1.40 -3.00 113.55 113.10 2diu h SER 25 Ca 0.30 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2diu h SER 25 Cb 0.52 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2diu h SER 25 CO -0.89 0.51 -0.45 0.58 -1.14 0.00 0.00 176.83 175.44 2diu h VAL 26 N 0.54 0.11 -0.07 2.27 2.07 0.11 -2.78 116.25 118.50 2diu h VAL 26 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2diu h VAL 26 Cb 0.10 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2diu h VAL 26 CO -0.02 0.00 -0.07 -1.28 0.02 0.00 0.00 177.57 176.22 2diu h SER 27 N -0.78 -0.25 -0.72 0.57 0.87 -0.72 -1.65 113.55 110.89 2diu h SER 27 Ca -0.01 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.67 2diu h SER 27 Cb 0.74 0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.71 2diu h SER 27 CO -0.17 -0.04 -0.35 -3.20 -0.53 0.00 0.00 176.83 172.53 2diu n ASN 28 N -3.11 -0.62 -0.26 6.23 5.15 -1.14 0.16 115.26 121.68 2diu n ASN 28 Ca -0.00 1.26 0.06 0.00 -0.60 0.00 0.00 54.58 55.30 2diu n ASN 28 Cb 0.04 -0.22 0.17 0.00 -0.53 0.00 0.00 39.78 39.24 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 0.14 -0.10 1.20 9.65 -1.03 -1.00 114.38 123.25 2diu h ARG 29 Ca 0.18 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 2diu h ARG 29 Cb 0.36 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2diu h ARG 29 CO -0.69 0.10 -0.07 -0.07 2.80 0.00 0.00 179.97 182.04 2diu h LEU 30 N 0.15 0.23 -0.88 3.80 4.07 0.21 -3.22 115.31 119.67 2diu h LEU 30 Ca 0.42 -0.45 0.18 0.00 0.08 0.00 0.00 57.88 58.11 2diu h LEU 30 Cb 0.75 -0.06 -0.17 0.00 1.08 0.00 0.00 40.66 42.26 2diu h LEU 30 CO -0.62 0.63 -0.21 0.54 -1.08 0.00 0.00 178.44 177.70 2diu n ARG 31 N -4.70 -0.08 -0.15 1.13 1.74 0.77 0.12 116.66 115.50 2diu n ARG 31 Ca -0.07 1.37 -0.07 0.00 -0.77 0.00 0.00 57.85 58.32 2diu n ARG 31 Cb 0.29 -2.06 0.02 0.00 -1.02 0.00 0.00 32.46 29.70 2diu n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ARG 32 N 0.00 0.53 0.00 5.56 2.47 -1.49 0.33 114.38 121.78 2diu h ARG 32 Ca 0.43 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2diu h ARG 32 Cb 0.67 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2diu h ARG 32 CO -0.90 0.35 0.00 -0.07 0.56 0.00 0.00 179.97 179.91 2diu h LEU 33 N 0.55 0.00 0.10 3.04 3.38 0.95 -2.35 115.31 120.98 2diu h LEU 33 Ca 0.18 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.78 2diu h LEU 33 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2diu h LEU 33 CO -0.08 0.00 -2.06 -1.54 0.09 0.00 0.00 178.44 174.85 2diu n SER 34 N -3.04 2.02 -0.17 -0.43 3.41 -0.08 -3.36 113.62 111.95 2diu n SER 34 Ca -0.02 0.16 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 2diu n SER 34 Cb 0.15 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.64 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2diu h ASP 35 N 0.06 0.79 -0.06 4.04 1.82 -0.02 1.89 116.42 124.94 2diu h ASP 35 Ca -0.44 -0.03 -0.18 0.00 -0.39 0.00 0.00 57.03 55.99 2diu h ASP 35 Cb 2.02 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 41.84 2diu h ASP 35 CO 0.06 0.59 -0.66 -1.13 -1.61 0.00 0.00 179.24 176.49 2diu h ASN 36 N 0.93 0.69 -0.23 2.28 -0.73 -1.60 -3.14 115.58 113.78 2diu h ASN 36 Ca 0.25 -0.69 -0.04 0.00 1.87 0.00 0.00 56.30 57.69 2diu h ASN 36 Cb -0.07 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.29 2diu h ASN 36 CO -0.05 1.28 0.05 0.00 -0.37 0.00 0.00 177.43 178.34 2diu n GLY 38 N 0.15 -1.23 3.74 0.00 0.00 -0.33 -4.55 105.19 102.96 2diu n GLY 38 Ca 0.12 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.06 0.48 -0.20 -0.02 0.00 0.63 -4.14 107.32 101.02 2diu s GLY 39 Ca 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.93 2diu s GLY 39 CO 0.78 -0.42 0.37 1.25 0.00 0.00 0.00 173.10 175.08 2diu s LYS 40 N -3.03 0.29 -0.75 2.90 2.20 -0.84 -3.43 119.74 117.08 2diu s LYS 40 Ca 0.18 0.82 -0.25 0.00 -0.36 0.00 0.00 55.97 56.36 2diu s LYS 40 Cb -0.04 -0.01 -0.15 0.00 -1.51 0.00 0.00 37.83 36.13 2diu s LYS 40 CO 0.12 -0.37 2.40 1.55 -0.36 0.00 0.00 175.35 178.69 2diu n VAL 41 N 5.37 -0.02 -0.01 4.02 3.14 -1.26 -1.90 118.33 127.67 2diu n VAL 41 Ca -0.07 -0.55 -0.10 0.00 -2.96 0.00 0.00 64.34 60.66 2diu n VAL 41 Cb 0.50 -1.95 -0.03 0.00 -1.06 0.00 0.00 33.84 31.29 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 20.68 -0.94 -8.02 6.55 3.38 -1.32 -3.46 115.31 132.18 2diu h LEU 42 Ca -0.05 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2diu h LEU 42 Cb 1.08 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 2diu h LEU 42 CO 1.10 -0.34 0.21 -0.44 0.09 0.00 0.00 178.44 179.07 2diu s SER 43 N -4.96 -0.22 -0.22 -0.43 0.01 -1.11 -5.04 113.70 101.74 2diu s SER 43 Ca -0.15 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.39 2diu s SER 43 Cb 0.11 0.74 0.07 0.00 0.21 0.00 0.00 66.02 67.15 2diu s SER 43 CO 0.67 -1.38 0.07 -0.63 0.41 0.00 0.00 173.24 172.38 2diu s ILE 44 N -3.74 0.35 -0.22 1.44 1.01 -1.26 -1.59 121.20 117.18 2diu s ILE 44 Ca 0.12 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 2diu s ILE 44 Cb -0.06 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2diu s ILE 44 CO 0.08 -0.39 0.08 0.42 0.00 0.00 0.00 174.94 175.13 2diu s THR 45 N 1.92 4.71 0.00 2.92 -4.23 -0.33 -4.96 115.64 115.66 2diu s THR 45 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2diu s THR 45 Cb -0.17 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2diu s THR 45 CO -0.16 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2diu n GLY 46 N 4.25 2.26 0.86 3.99 0.00 -1.26 0.26 105.19 115.55 2diu n GLY 46 Ca -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.09 1.82 0.18 0.00 1.04 0.14 -1.48 113.70 115.30 2diu s SER 48 Ca 0.12 -1.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 2diu s SER 48 Cb 0.09 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.25 2diu s SER 48 CO 0.03 -0.61 0.41 0.00 0.98 0.00 0.00 173.24 174.05 2diu s ALA 49 N -3.48 -0.53 -0.12 5.32 0.00 -0.08 -1.19 121.76 121.69 2diu s ALA 49 Ca 0.34 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 2diu s ALA 49 Cb 0.07 0.84 0.04 0.00 0.00 0.00 0.00 23.12 24.07 2diu s ALA 49 CO 0.13 -0.72 0.03 0.42 0.00 0.00 0.00 175.76 175.61 2diu s ILE 50 N -3.91 0.34 0.24 0.00 1.01 -0.62 -0.95 121.20 117.30 2diu s ILE 50 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2diu s ILE 50 Cb 0.01 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2diu s ILE 50 CO -0.02 0.03 0.27 -0.76 0.00 0.00 0.00 174.94 174.47 2diu s LEU 51 N 1.97 4.07 -0.14 2.97 1.02 -0.30 -0.86 118.68 127.40 2diu s LEU 51 Ca 0.03 -0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.12 2diu s LEU 51 Cb -0.14 -2.61 0.01 0.00 0.02 0.00 0.00 46.19 43.47 2diu s LEU 51 CO -0.06 -0.04 -0.19 -0.60 0.02 0.00 0.00 176.35 175.47 2diu s ARG 52 N -3.84 2.73 0.19 1.70 3.52 -0.80 -0.67 118.95 121.78 2diu s ARG 52 Ca 0.33 -0.74 0.11 0.00 -0.13 0.00 0.00 55.73 55.30 2diu s ARG 52 Cb -0.09 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 2diu s ARG 52 CO 0.27 -0.09 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.37 2diu s PHE 53 N 1.03 2.31 0.11 5.12 0.40 -0.65 -1.98 117.98 124.32 2diu s PHE 53 Ca -0.03 -0.36 -0.26 0.00 -0.60 0.00 0.00 56.93 55.68 2diu s PHE 53 Cb -0.15 -1.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.15 2diu s PHE 53 CO -0.05 0.50 1.65 0.97 0.70 0.00 0.00 175.22 178.99 2diu h ILE 54 N 3.20 0.51 -4.39 0.64 6.09 -1.84 -0.64 117.51 121.09 2diu h ILE 54 Ca -0.46 0.00 -0.31 0.00 -1.37 0.00 0.00 64.86 62.71 2diu h ILE 54 Cb 1.21 0.51 -0.11 0.00 0.47 0.00 0.00 36.82 38.90 2diu h ILE 54 CO 0.48 0.00 -0.34 0.54 -3.07 0.00 0.00 178.15 175.76 2diu s ASN 55 N -4.87 0.94 0.04 2.19 2.20 -1.26 -3.63 114.94 110.56 2diu s ASN 55 Ca -0.15 -1.51 -0.13 0.00 -0.94 0.00 0.00 52.86 50.13 2diu s ASN 55 Cb 0.08 0.58 -0.05 0.00 -2.00 0.00 0.00 41.25 39.86 2diu s ASN 55 CO 0.65 -1.14 1.22 -0.61 -2.94 0.00 0.00 177.10 174.28 2diu h GLN 56 N 2.21 -0.24 0.00 3.55 4.15 -1.88 -2.11 115.11 120.79 2diu h GLN 56 Ca -0.28 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2diu h GLN 56 Cb 1.24 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2diu h GLN 56 CO 0.40 -0.16 0.00 -3.47 -1.93 0.00 0.00 178.83 173.67 2diu n ASP 57 N -3.68 0.00 -0.33 -0.69 -0.08 -1.26 0.67 116.55 111.18 2diu n ASP 57 Ca -0.03 0.68 0.08 0.00 -1.51 0.00 0.00 54.79 54.01 2diu n ASP 57 Cb 0.15 -0.33 0.19 0.00 2.34 0.00 0.00 41.12 43.47 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2diu h SER 58 N 0.00 -0.69 -0.53 1.67 0.02 -1.86 0.56 113.55 112.72 2diu h SER 58 Ca 0.00 0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2diu h SER 58 Cb 0.00 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2diu h SER 58 CO 0.00 -0.31 0.34 0.00 -1.14 0.00 0.00 176.83 175.71 2diu h ALA 59 N 1.93 0.67 0.20 3.77 0.00 0.95 -3.08 119.26 123.71 2diu h ALA 59 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2diu h ALA 59 Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2diu h ALA 59 CO -0.92 0.07 -0.35 0.93 0.00 0.00 0.00 179.25 178.98 2diu h GLU 60 N 0.68 -0.57 -1.37 0.00 5.08 0.35 0.50 114.58 119.25 2diu h GLU 60 Ca 0.20 0.04 0.40 0.00 -1.00 0.00 0.00 59.36 59.00 2diu h GLU 60 Cb -0.04 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2diu h GLU 60 CO -0.07 -0.38 1.19 0.00 -1.00 0.00 0.00 179.01 178.75 2diu h ARG 61 N -0.59 0.00 0.06 2.33 3.08 -1.33 1.44 114.38 119.36 2diu h ARG 61 Ca -0.02 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.70 2diu h ARG 61 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2diu h ARG 61 CO -0.13 0.00 -1.86 0.00 -1.07 0.00 0.00 179.97 176.91 2diu n ALA 62 N -2.58 1.21 0.22 0.04 0.00 -0.22 -3.15 120.51 116.03 2diu n ALA 62 Ca 0.30 -0.69 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2diu n ALA 62 Cb 1.61 -0.76 0.35 0.00 0.00 0.00 0.00 19.45 20.65 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 0.03 0.00 0.00 0.00 -0.00 0.65 0.04 115.11 115.84 2diu h GLN 63 Ca -0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.26 2diu h GLN 63 Cb 2.03 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.50 2diu h GLN 63 CO 0.08 0.15 -1.11 0.36 0.00 0.00 0.00 178.83 178.31 2diu n LYS 64 N -3.20 0.61 -0.04 1.69 -0.00 0.16 -3.22 118.16 114.17 2diu n LYS 64 Ca 0.02 0.13 -0.17 0.00 -0.00 0.00 0.00 58.31 58.28 2diu n LYS 64 Cb 0.48 -1.81 -0.14 0.00 -0.00 0.00 0.00 35.03 33.56 2diu n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2diu n ARG 65 N -2.70 0.71 -0.08 -1.58 -4.01 -1.15 -4.35 116.66 103.49 2diu n ARG 65 Ca -0.02 0.22 -0.13 0.00 -1.04 0.00 0.00 57.85 56.88 2diu n ARG 65 Cb 0.60 -1.66 -0.05 0.00 -3.04 0.00 0.00 32.46 28.31 2diu n ARG 65 CO 0.00 0.00 0.00 0.52 -3.04 0.00 0.00 177.63 175.11 2diu h MET 66 N 0.04 0.56 -1.17 2.89 2.86 -1.15 0.15 114.93 119.10 2diu h MET 66 Ca -0.45 -0.28 0.37 0.00 -2.06 0.00 0.00 59.70 57.27 2diu h MET 66 Cb 2.02 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 33.56 2diu h MET 66 CO 0.04 0.86 0.73 1.05 1.06 0.00 0.00 176.91 180.66 2diu h GLU 67 N 0.26 0.21 0.00 1.72 4.11 -1.74 0.71 114.58 119.85 2diu h GLU 67 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2diu h GLU 67 Cb 0.74 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2diu h GLU 67 CO 0.05 0.14 -1.57 0.09 0.07 0.00 0.00 179.01 177.79 2diu n ASN 68 N -4.76 0.42 -4.39 3.06 4.13 -1.16 -4.60 115.26 107.95 2diu n ASN 68 Ca 0.33 -0.40 -0.29 0.00 1.68 0.00 0.00 54.58 55.90 2diu n ASN 68 Cb 1.19 1.56 0.23 0.00 -1.54 0.00 0.00 39.78 41.22 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 -3.30 -0.76 -0.16 3.52 2.56 0.25 -4.95 118.70 115.85 2diu s GLU 69 Ca -0.01 0.52 -0.04 0.00 0.00 0.00 0.00 54.97 55.44 2diu s GLU 69 Cb 0.15 -1.60 0.07 0.00 2.00 0.00 0.00 34.13 34.75 2diu s GLU 69 CO 0.89 -3.53 0.20 0.16 -0.56 0.00 0.00 175.26 172.41 2diu s ASP 70 N -3.07 1.21 0.05 -1.70 1.47 -1.26 -3.71 116.67 109.67 2diu s ASP 70 Ca 0.68 -0.04 -0.22 0.00 1.18 0.00 0.00 52.55 54.15 2diu s ASP 70 Cb -0.20 0.32 -0.14 0.00 -0.34 0.00 0.00 42.92 42.57 2diu s ASP 70 CO 0.61 -0.30 1.51 0.58 0.68 0.00 0.00 175.17 178.25 2diu h VAL 71 N 6.33 1.22 -0.79 2.11 2.07 -1.93 -3.45 116.25 121.81 2diu h VAL 71 Ca -0.15 -0.70 0.17 0.00 0.82 0.00 0.00 66.70 66.84 2diu h VAL 71 Cb 1.14 1.48 -0.22 0.00 -1.52 0.00 0.00 31.29 32.17 2diu h VAL 71 CO 0.23 0.20 0.03 -0.36 0.02 0.00 0.00 177.57 177.69 2diu s PHE 72 N -5.14 -0.91 -0.61 1.57 0.08 -1.26 -4.95 117.98 106.76 2diu s PHE 72 Ca -0.14 1.15 -0.08 0.00 0.12 0.00 0.00 56.93 57.98 2diu s PHE 72 Cb 0.05 0.39 0.08 0.00 -0.57 0.00 0.00 43.02 42.97 2diu s PHE 72 CO 0.70 -0.49 0.19 0.41 -0.10 0.00 0.00 175.22 175.94 2diu n GLY 73 N 5.33 -0.33 3.64 4.36 0.00 -1.26 -4.79 105.19 112.13 2diu n GLY 73 Ca -0.06 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.99 -0.60 0.11 1.61 2.47 -1.26 -5.10 114.94 110.19 2diu s ASN 74 Ca 0.27 1.06 -0.23 0.00 0.42 0.00 0.00 52.86 54.37 2diu s ASN 74 Cb -0.16 1.15 -0.07 0.00 -1.45 0.00 0.00 41.25 40.72 2diu s ASN 74 CO 0.33 -0.17 0.71 -0.60 -3.72 0.00 0.00 177.10 173.65 2diu s ARG 75 N 0.80 4.45 0.18 0.43 6.06 -1.26 -3.14 118.95 126.47 2diu s ARG 75 Ca -0.03 1.01 0.04 0.00 -2.50 0.00 0.00 55.73 54.26 2diu s ARG 75 Cb -0.05 -3.28 -0.04 0.00 0.06 0.00 0.00 34.95 31.65 2diu s ARG 75 CO -0.10 0.54 0.24 0.96 -2.50 0.00 0.00 175.30 174.43 2diu s ILE 76 N -0.92 4.94 -0.24 4.11 -4.36 -1.24 -4.79 121.20 118.70 2diu s ILE 76 Ca 0.34 -0.94 -0.01 0.00 -0.26 0.00 0.00 60.65 59.78 2diu s ILE 76 Cb -0.22 -3.57 0.02 0.00 1.25 0.00 0.00 42.46 39.95 2diu s ILE 76 CO 0.23 -0.16 -0.08 -0.63 0.24 0.00 0.00 174.94 174.54 2diu s ILE 77 N -1.82 2.74 -0.20 8.37 1.01 -0.28 -4.34 121.20 126.66 2diu s ILE 77 Ca 0.33 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 2diu s ILE 77 Cb -0.10 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2diu s ILE 77 CO 0.26 0.25 0.10 -0.69 0.00 0.00 0.00 174.94 174.86 2diu s VAL 78 N 1.31 4.98 0.02 2.92 1.01 -1.26 -0.01 120.40 129.37 2diu s VAL 78 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2diu s VAL 78 Cb -0.16 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2diu s VAL 78 CO -0.06 0.42 -0.02 -0.55 0.00 0.00 0.00 175.10 174.89 2diu s SER 79 N 0.63 0.23 0.26 3.32 0.15 0.98 -4.87 113.70 114.40 2diu s SER 79 Ca 0.05 -0.49 0.16 0.00 0.70 0.00 0.00 55.95 56.37 2diu s SER 79 Cb -0.13 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2diu s SER 79 CO 0.01 -0.31 1.37 -0.26 1.20 0.00 0.00 173.24 175.26 2diu h PHE 80 N 4.61 0.00 -2.29 3.44 -1.00 -1.87 0.11 116.94 119.94 2diu h PHE 80 Ca -0.32 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 59.95 2diu h PHE 80 Cb 1.21 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.72 2diu h PHE 80 CO 0.66 0.47 -0.52 0.95 -1.61 0.00 0.00 178.31 178.26 2diu s THR 81 N -2.98 4.59 0.39 -1.55 -4.23 -1.26 -4.78 115.64 105.82 2diu s THR 81 Ca 0.03 -1.28 -0.26 0.00 -1.18 0.00 0.00 61.69 59.01 2diu s THR 81 Cb 0.08 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 2diu s THR 81 CO 0.75 -0.30 1.19 -2.16 -0.54 0.00 0.00 174.62 173.56 2diu s PRO 82 N -3.72 4.08 -0.65 3.99 0.04 -1.26 -4.85 135.00 132.63 2diu s PRO 82 Ca 0.33 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 2diu s PRO 82 Cb -0.08 -2.73 0.42 0.00 0.04 0.00 0.00 34.50 32.14 2diu s PRO 82 CO 0.25 -0.32 1.82 1.63 0.04 0.00 0.00 177.00 180.43 2diu n LYS 83 N 0.17 2.92 -1.06 4.56 5.02 -1.26 -4.73 118.16 123.78 2diu n LYS 83 Ca 0.04 -3.62 -0.16 0.00 -2.02 0.00 0.00 58.31 52.56 2diu n LYS 83 Cb 0.46 -2.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.11 2diu n LYS 83 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2diu n ASN 84 N -0.72 5.82 -3.60 4.39 4.13 -1.26 -4.70 115.26 119.31 2diu n ASN 84 Ca 0.55 -2.78 -0.20 0.00 1.68 0.00 0.00 54.58 53.83 2diu n ASN 84 Cb 0.56 -1.27 0.06 0.00 -1.54 0.00 0.00 39.78 37.59 2diu n ASN 84 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2diu n ARG 85 N 1.54 -5.83 -3.59 3.52 5.12 -1.26 -4.98 116.66 111.17 2diu n ARG 85 Ca 0.37 0.72 -0.09 0.00 -1.93 0.00 0.00 57.85 56.92 2diu n ARG 85 Cb 0.69 -5.52 -0.05 0.00 -1.16 0.00 0.00 32.46 26.43 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 -5.80 0.48 0.09 5.56 4.04 -1.26 -5.09 118.70 116.71 2diu s GLU 86 Ca 0.09 0.14 0.00 0.00 0.04 0.00 0.00 54.97 55.24 2diu s GLU 86 Cb -0.04 0.23 0.00 0.00 0.02 0.00 0.00 34.13 34.33 2diu s GLU 86 CO 0.78 -0.14 0.00 1.28 -1.84 0.00 0.00 175.26 175.33 2diu n LEU 87 N 0.78 0.22 -3.83 1.83 4.77 -1.26 -4.74 117.00 114.78 2diu n LEU 87 Ca -0.08 0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.77 2diu n LEU 87 Cb 0.58 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 2diu n LEU 87 CO 0.13 -0.50 -0.25 0.00 -1.33 0.00 0.00 177.39 175.45 2diu n GLU 89 N -3.45 0.23 -1.59 0.00 -0.58 -1.26 -4.66 120.64 109.33 2diu n GLU 89 Ca -0.09 0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.61 2diu n GLU 89 Cb 0.44 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.75 2diu n GLU 89 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2diu s THR 90 N -1.90 3.02 -0.13 2.62 2.01 -1.26 -4.81 115.64 115.18 2diu s THR 90 Ca 0.61 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 2diu s THR 90 Cb -0.39 -3.18 0.08 0.00 0.01 0.00 0.00 72.50 69.02 2diu s THR 90 CO 0.62 -0.04 0.76 -0.94 -0.69 0.00 0.00 174.62 174.32 2diu s SER 91 N 10.48 -0.62 0.00 3.53 1.04 -1.26 -5.11 113.70 121.75 2diu s SER 91 Ca 0.90 0.86 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2diu s SER 91 Cb -0.12 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2diu s SER 91 CO 0.09 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2diu n GLY 92 N 1.39 0.11 3.77 7.32 0.00 -1.26 -5.14 105.19 111.39 2diu n GLY 92 Ca -0.16 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.26 0.03 1.61 0.04 -1.26 -5.06 135.00 133.62 2diu s PRO 93 Ca 0.00 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.68 2diu s PRO 93 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2diu s PRO 93 CO 0.00 -0.91 -0.20 -1.12 0.04 0.00 0.00 177.00 174.81 2diu s SER 94 N -1.92 2.35 0.45 6.66 0.01 -1.26 -5.15 113.70 114.85 2diu s SER 94 Ca 0.72 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.56 2diu s SER 94 Cb -0.23 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 2diu s SER 94 CO 0.29 0.16 0.17 -0.44 0.41 0.00 0.00 173.24 173.84 2diu s SER 95 N -1.02 4.36 0.00 2.44 0.01 -1.26 -5.37 113.70 112.86 2diu s SER 95 Ca 0.07 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2diu s SER 95 Cb -0.08 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2diu s SER 95 CO 0.01 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.59