#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 3.49 -1.24 1.61 0.01 -1.26 -4.96 113.70 111.35 2diu s SER 2 Ca 0.00 0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.29 2diu s SER 2 Cb 0.00 -0.35 0.11 0.00 0.21 0.00 0.00 66.02 65.99 2diu s SER 2 CO 0.00 -2.48 1.59 -0.44 0.41 0.00 0.00 173.24 172.31 2diu s SER 3 N -4.83 6.90 -0.91 2.44 0.01 -1.26 -4.35 113.70 111.70 2diu s SER 3 Ca 0.71 -2.58 -0.04 0.00 1.31 0.00 0.00 55.95 55.36 2diu s SER 3 Cb -0.05 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2diu s SER 3 CO 0.51 -1.03 0.79 0.61 0.41 0.00 0.00 173.24 174.53 2diu n GLY 4 N 5.01 -0.66 3.26 3.44 0.00 -1.26 -4.85 105.19 110.14 2diu n GLY 4 Ca 0.43 0.32 -0.53 0.00 0.00 0.00 0.00 46.02 46.24 2diu n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2diu n SER 5 N -2.90 -0.26 -4.14 1.61 3.41 -1.26 -4.95 113.62 105.13 2diu n SER 5 Ca -0.11 1.08 -0.23 0.00 -0.26 0.00 0.00 58.87 59.35 2diu n SER 5 Cb 0.61 -0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 63.55 2diu n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diu s SER 6 N -0.20 1.82 0.00 4.04 0.01 -1.26 -5.09 113.70 113.01 2diu s SER 6 Ca 0.80 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2diu s SER 6 Cb -1.12 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2diu s SER 6 CO 0.53 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2diu n GLY 7 N 2.41 2.96 0.13 3.44 0.00 -1.26 -4.97 105.19 107.91 2diu n GLY 7 Ca -0.16 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.47 -1.81 -3.64 0.00 -0.00 -1.26 -4.69 115.22 100.35 2diu n HIS 9 Ca -0.39 0.11 -0.27 0.00 -0.00 0.00 0.00 57.72 57.18 2diu n HIS 9 Cb 1.00 -1.47 -0.17 0.00 -0.00 0.00 0.00 29.99 29.36 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 -2.14 0.10 0.10 1.59 2.01 -0.19 -4.84 115.64 112.26 2diu s THR 10 Ca 0.46 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 2diu s THR 10 Cb -0.07 -0.74 -0.07 0.00 0.01 0.00 0.00 72.50 71.63 2diu s THR 10 CO 0.53 -0.30 0.52 -0.76 -0.69 0.00 0.00 174.62 173.91 2diu s LEU 11 N 2.05 4.41 0.16 4.42 1.43 -1.26 -0.66 118.68 129.23 2diu s LEU 11 Ca 0.02 1.07 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 2diu s LEU 11 Cb -0.16 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2diu s LEU 11 CO -0.11 0.19 0.01 -0.76 0.23 0.00 0.00 176.35 175.90 2diu s LEU 12 N -1.61 3.35 -0.21 1.79 1.43 -0.42 -4.80 118.68 118.21 2diu s LEU 12 Ca 0.33 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2diu s LEU 12 Cb -0.16 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2diu s LEU 12 CO 0.18 0.10 -0.08 -0.31 0.23 0.00 0.00 176.35 176.47 2diu s TYR 13 N -1.68 2.38 0.04 0.29 2.02 0.24 -1.82 117.35 118.81 2diu s TYR 13 Ca 0.27 -1.63 -0.05 0.00 -0.37 0.00 0.00 57.07 55.29 2diu s TYR 13 Cb -0.10 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 2diu s TYR 13 CO 0.19 -0.75 0.28 0.08 -1.57 0.00 0.00 175.55 173.78 2diu s VAL 14 N 1.41 5.29 0.23 0.71 1.01 -0.23 -0.18 120.40 128.65 2diu s VAL 14 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2diu s VAL 14 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2diu s VAL 14 CO -0.07 0.26 0.17 -0.31 0.00 0.00 0.00 175.10 175.14 2diu s TYR 15 N -1.41 1.27 -1.02 5.22 1.51 0.25 -0.92 117.35 122.24 2diu s TYR 15 Ca 0.32 -1.43 -0.02 0.00 -1.01 0.00 0.00 57.07 54.93 2diu s TYR 15 Cb -0.13 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 2diu s TYR 15 CO 0.20 -0.70 0.87 0.09 -1.11 0.00 0.00 175.55 174.90 2diu n ASN 16 N -0.55 -3.81 -4.88 2.29 5.03 -0.72 -1.15 115.26 111.47 2diu n ASN 16 Ca 0.03 -0.59 -0.34 0.00 0.87 0.00 0.00 54.58 54.55 2diu n ASN 16 Cb 0.65 -4.71 -0.05 0.00 -1.02 0.00 0.00 39.78 34.65 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2diu s LEU 17 N -5.60 4.28 -0.95 3.41 1.43 -1.00 -4.33 118.68 115.92 2diu s LEU 17 Ca 0.18 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.36 2diu s LEU 17 Cb -0.02 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2diu s LEU 17 CO 0.66 0.28 1.95 -2.16 0.23 0.00 0.00 176.35 177.31 2diu s PRO 18 N -1.77 2.54 0.16 1.29 0.04 -1.26 -4.69 135.00 131.30 2diu s PRO 18 Ca 0.25 -0.44 -0.23 0.00 0.04 0.00 0.00 61.00 60.61 2diu s PRO 18 Cb -0.12 -5.09 0.05 0.00 0.04 0.00 0.00 34.50 29.37 2diu s PRO 18 CO 0.16 -3.49 1.60 0.00 0.04 0.00 0.00 177.00 175.30 2diu h ALA 19 N 11.01 -0.21 -1.00 8.56 0.00 -1.95 -0.50 119.26 135.18 2diu h ALA 19 Ca 0.12 0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.43 2diu h ALA 19 Cb 0.99 0.71 -0.18 0.00 0.00 0.00 0.00 17.79 19.31 2diu h ALA 19 CO 1.21 -0.74 0.15 -0.91 0.00 0.00 0.00 179.25 178.96 2diu h ASN 20 N -0.27 -0.29 -2.14 0.00 4.21 -2.00 -3.36 115.58 111.73 2diu h ASN 20 Ca 0.16 0.28 -0.56 0.00 1.21 0.00 0.00 56.30 57.39 2diu h ASN 20 Cb 0.54 0.44 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 2diu h ASN 20 CO -0.53 -0.38 1.44 -0.54 -1.29 0.00 0.00 177.43 176.14 2diu s LYS 21 N -5.89 2.99 -0.31 0.81 -0.14 -0.20 -4.84 119.74 112.16 2diu s LYS 21 Ca -0.12 1.65 -0.36 0.00 -1.36 0.00 0.00 55.97 55.77 2diu s LYS 21 Cb 0.30 -4.36 -0.16 0.00 -1.68 0.00 0.00 37.83 31.94 2diu s LYS 21 CO 0.78 -2.27 1.18 -0.25 -0.76 0.00 0.00 175.35 174.03 2diu n ASP 22 N 12.03 0.75 -0.35 2.83 8.00 -1.26 -4.47 116.55 134.08 2diu n ASP 22 Ca 0.28 0.94 0.11 0.00 0.71 0.00 0.00 54.79 56.83 2diu n ASP 22 Cb 0.48 -0.71 0.22 0.00 -0.02 0.00 0.00 41.12 41.09 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 3.63 0.99 -0.36 0.44 0.00 -1.88 0.67 103.07 106.57 2diu h GLY 23 Ca -0.36 0.24 0.25 0.00 0.00 0.00 0.00 47.33 47.46 2diu h GLY 23 CO 0.72 -0.45 0.37 0.50 0.00 0.00 0.00 176.54 177.68 2diu h LYS 24 N 0.00 0.31 -0.04 4.80 1.79 -2.00 0.26 116.57 121.69 2diu h LYS 24 Ca 0.54 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.97 2diu h LYS 24 Cb 1.00 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2diu h LYS 24 CO -0.98 0.20 -0.09 1.03 -1.08 0.00 0.00 179.45 178.53 2diu h SER 25 N 0.31 0.14 0.46 0.86 0.87 0.02 -3.14 113.55 113.09 2diu h SER 25 Ca 0.59 -0.59 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2diu h SER 25 Cb 1.20 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2diu h SER 25 CO -0.59 0.71 -0.40 0.58 -0.53 0.00 0.00 176.83 176.60 2diu h VAL 26 N -0.42 0.00 -1.11 2.23 2.07 -0.38 -1.98 116.25 116.66 2diu h VAL 26 Ca -0.00 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.91 2diu h VAL 26 Cb 0.70 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.31 2diu h VAL 26 CO 0.02 0.00 0.66 -1.28 0.02 0.00 0.00 177.57 176.99 2diu h SER 27 N -0.85 0.36 0.35 0.57 0.87 -0.70 0.23 113.55 114.38 2diu h SER 27 Ca -0.06 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2diu h SER 27 Cb 0.72 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2diu h SER 27 CO -0.02 -0.25 -0.17 -1.13 -0.53 0.00 0.00 176.83 174.74 2diu h ASN 28 N 0.14 -0.39 -0.70 6.23 -1.24 -1.35 0.29 115.58 118.56 2diu h ASN 28 Ca 0.80 -0.11 0.14 0.00 0.71 0.00 0.00 56.30 57.84 2diu h ASN 28 Cb 2.17 0.10 -0.10 0.00 0.73 0.00 0.00 38.32 41.22 2diu h ASN 28 CO -0.59 -0.11 0.17 -0.09 -1.29 0.00 0.00 177.43 175.52 2diu h ARG 29 N -0.69 0.27 -0.11 6.67 9.65 0.13 -1.74 114.38 128.57 2diu h ARG 29 Ca -0.05 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 2diu h ARG 29 Cb 0.48 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2diu h ARG 29 CO 0.08 0.18 -0.16 -0.07 2.80 0.00 0.00 179.97 182.80 2diu h LEU 30 N 0.28 0.33 -0.93 3.80 4.07 -1.27 -3.23 115.31 118.36 2diu h LEU 30 Ca 0.39 -0.52 0.21 0.00 0.08 0.00 0.00 57.88 58.04 2diu h LEU 30 Cb 0.63 -0.09 -0.17 0.00 1.08 0.00 0.00 40.66 42.10 2diu h LEU 30 CO -0.47 0.79 -0.12 0.54 -1.08 0.00 0.00 178.44 178.09 2diu n ARG 31 N -4.57 -0.08 -0.10 1.13 1.74 0.10 0.99 116.66 115.87 2diu n ARG 31 Ca -0.07 1.42 -0.09 0.00 -0.77 0.00 0.00 57.85 58.34 2diu n ARG 31 Cb 0.38 -2.18 -0.01 0.00 -1.02 0.00 0.00 32.46 29.63 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 0.45 0.00 5.56 2.47 -1.51 0.37 114.38 121.71 2diu h ARG 32 Ca 0.49 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.17 2diu h ARG 32 Cb 0.88 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2diu h ARG 32 CO -0.92 0.32 -0.05 -0.07 0.56 0.00 0.00 179.97 179.81 2diu h LEU 33 N 0.45 0.00 0.01 3.04 3.38 0.59 -1.93 115.31 120.85 2diu h LEU 33 Ca 0.12 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 2diu h LEU 33 Cb -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2diu h LEU 33 CO -0.02 0.05 -1.72 -1.28 0.09 0.00 0.00 178.44 175.55 2diu h SER 34 N 0.00 0.05 -0.26 -0.43 0.87 0.05 -3.18 113.55 110.64 2diu h SER 34 Ca -0.00 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2diu h SER 34 Cb 0.15 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2diu h SER 34 CO 0.01 1.09 0.05 -0.78 -0.53 0.00 0.00 176.83 176.67 2diu h ASP 35 N 0.01 0.41 0.69 6.23 3.58 0.43 1.67 116.42 129.45 2diu h ASP 35 Ca -0.29 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 56.80 2diu h ASP 35 Cb 2.01 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 2diu h ASP 35 CO 0.08 0.56 -0.48 -1.13 -2.88 0.00 0.00 179.24 175.39 2diu h ASN 36 N 0.25 0.00 -0.69 2.28 -0.73 -1.58 -2.85 115.58 112.26 2diu h ASN 36 Ca 0.08 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.02 2diu h ASN 36 Cb 0.32 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.78 2diu h ASN 36 CO 0.00 0.48 0.29 0.00 -0.37 0.00 0.00 177.43 177.84 2diu n GLY 38 N -0.19 -1.28 3.63 0.00 0.00 -0.68 -4.57 105.19 102.09 2diu n GLY 38 Ca 0.38 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.00 0.69 -0.12 -0.02 0.00 0.56 -4.37 107.32 101.07 2diu s GLY 39 Ca 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 2diu s GLY 39 CO 0.84 -0.62 0.24 1.25 0.00 0.00 0.00 173.10 174.81 2diu s LYS 40 N -3.47 0.12 -0.82 2.90 2.20 -0.97 -4.03 119.74 115.67 2diu s LYS 40 Ca 0.22 0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 56.27 2diu s LYS 40 Cb -0.02 -0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 2diu s LYS 40 CO 0.12 -0.28 2.00 0.54 -0.36 0.00 0.00 175.35 177.37 2diu s VAL 41 N 2.30 3.36 0.13 4.02 0.11 -1.26 0.27 120.40 129.33 2diu s VAL 41 Ca 0.01 -0.21 -0.31 0.00 -2.93 0.00 0.00 61.98 58.54 2diu s VAL 41 Cb -0.12 -3.84 -0.07 0.00 -1.53 0.00 0.00 36.38 30.82 2diu s VAL 41 CO -0.08 -0.80 1.57 -0.07 -3.33 0.00 0.00 175.10 172.40 2diu h LEU 42 N 18.25 -1.49 -7.90 2.54 3.38 -0.49 -3.46 115.31 126.13 2diu h LEU 42 Ca 0.01 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2diu h LEU 42 Cb 1.04 0.60 -0.07 0.00 0.09 0.00 0.00 40.66 42.33 2diu h LEU 42 CO 1.18 -0.44 0.17 -0.44 0.09 0.00 0.00 178.44 179.00 2diu s SER 43 N -4.89 -0.27 -0.24 -0.43 0.01 -0.99 -5.02 113.70 101.87 2diu s SER 43 Ca -0.15 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 2diu s SER 43 Cb 0.09 0.69 0.08 0.00 0.21 0.00 0.00 66.02 67.08 2diu s SER 43 CO 0.63 -1.27 0.07 -0.63 0.41 0.00 0.00 173.24 172.46 2diu s ILE 44 N -3.91 0.50 -0.17 1.44 1.01 -1.26 -0.90 121.20 117.90 2diu s ILE 44 Ca 0.11 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 2diu s ILE 44 Cb -0.05 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2diu s ILE 44 CO 0.04 -0.42 0.05 0.42 0.00 0.00 0.00 174.94 175.04 2diu s THR 45 N 1.84 4.68 0.00 2.92 -4.23 -0.15 -4.96 115.64 115.75 2diu s THR 45 Ca 0.04 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2diu s THR 45 Cb -0.17 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2diu s THR 45 CO -0.17 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2diu n GLY 46 N 3.46 2.23 1.22 3.99 0.00 -1.26 0.30 105.19 115.12 2diu n GLY 46 Ca -0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.21 0.18 0.00 1.04 0.15 -1.76 113.70 114.51 2diu s SER 48 Ca 0.19 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 2diu s SER 48 Cb 0.15 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2diu s SER 48 CO 0.05 -0.56 0.31 0.00 0.98 0.00 0.00 173.24 174.01 2diu s ALA 49 N -3.66 -0.01 -0.03 5.32 0.00 -0.10 -0.98 121.76 122.30 2diu s ALA 49 Ca 0.23 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2diu s ALA 49 Cb 0.06 0.90 0.03 0.00 0.00 0.00 0.00 23.12 24.11 2diu s ALA 49 CO 0.04 -0.67 0.05 0.42 0.00 0.00 0.00 175.76 175.60 2diu s ILE 50 N -3.98 -0.09 0.27 0.00 1.01 -0.08 -1.06 121.20 117.27 2diu s ILE 50 Ca 0.18 0.35 0.09 0.00 0.00 0.00 0.00 60.65 61.28 2diu s ILE 50 Cb 0.03 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.33 2diu s ILE 50 CO 0.01 0.15 0.03 -0.76 0.00 0.00 0.00 174.94 174.37 2diu s LEU 51 N 1.77 3.26 -0.21 2.97 1.02 -0.76 0.26 118.68 126.99 2diu s LEU 51 Ca -0.00 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 53.54 2diu s LEU 51 Cb -0.12 -1.77 0.04 0.00 0.02 0.00 0.00 46.19 44.36 2diu s LEU 51 CO -0.03 -0.04 -0.13 -0.60 0.02 0.00 0.00 176.35 175.57 2diu s ARG 52 N -3.71 2.35 0.11 1.70 6.06 0.14 -1.30 118.95 124.30 2diu s ARG 52 Ca 0.32 -1.01 0.05 0.00 -2.50 0.00 0.00 55.73 52.59 2diu s ARG 52 Cb -0.06 -2.61 -0.04 0.00 0.06 0.00 0.00 34.95 32.30 2diu s ARG 52 CO 0.21 -0.42 0.03 -0.06 -2.50 0.00 0.00 175.30 172.56 2diu s PHE 53 N 1.27 3.01 0.29 5.12 0.40 0.17 -2.29 117.98 125.96 2diu s PHE 53 Ca -0.02 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2diu s PHE 53 Cb -0.17 -1.52 0.45 0.00 0.51 0.00 0.00 43.02 42.29 2diu s PHE 53 CO -0.08 0.50 1.84 0.97 0.70 0.00 0.00 175.22 179.14 2diu h ILE 54 N 2.66 1.22 -3.51 0.64 2.10 -1.83 -0.49 117.51 118.30 2diu h ILE 54 Ca -0.47 -0.80 -0.09 0.00 1.08 0.00 0.00 64.86 64.58 2diu h ILE 54 Cb 1.17 0.72 -0.05 0.00 -1.09 0.00 0.00 36.82 37.57 2diu h ILE 54 CO 0.61 0.29 0.02 0.54 -1.08 0.00 0.00 178.15 178.53 2diu s ASN 55 N -6.61 0.21 0.03 2.19 2.20 -1.26 -4.08 114.94 107.61 2diu s ASN 55 Ca -0.09 -1.11 -0.13 0.00 -0.94 0.00 0.00 52.86 50.58 2diu s ASN 55 Cb 0.16 0.71 -0.06 0.00 -2.00 0.00 0.00 41.25 40.05 2diu s ASN 55 CO 0.79 -1.38 1.20 -0.61 -2.94 0.00 0.00 177.10 174.17 2diu h GLN 56 N 2.10 -0.37 -0.69 3.55 5.75 -1.88 -2.21 115.11 121.36 2diu h GLN 56 Ca -0.28 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.31 2diu h GLN 56 Cb 1.25 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.80 2diu h GLN 56 CO 0.36 -0.25 -0.40 -3.47 -2.65 0.00 0.00 178.83 172.42 2diu n ASP 57 N -3.44 -0.72 -0.31 -0.69 2.03 -1.26 0.21 116.55 112.37 2diu n ASP 57 Ca -0.05 1.23 0.10 0.00 0.52 0.00 0.00 54.79 56.59 2diu n ASP 57 Cb 0.17 -0.16 0.26 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.55 -0.15 1.67 0.02 -1.85 -1.21 113.55 112.58 2diu h SER 58 Ca 0.11 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2diu h SER 58 Cb 0.29 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2diu h SER 58 CO -0.65 0.18 -0.02 0.00 -1.14 0.00 0.00 176.83 175.20 2diu h ALA 59 N 1.61 0.20 -0.09 3.77 0.00 0.31 -3.22 119.26 121.85 2diu h ALA 59 Ca 0.51 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2diu h ALA 59 Cb 0.80 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2diu h ALA 59 CO -0.40 -0.07 -0.37 0.93 0.00 0.00 0.00 179.25 179.34 2diu h GLU 60 N -0.02 -0.39 -1.68 0.00 5.08 0.74 0.48 114.58 118.80 2diu h GLU 60 Ca 0.04 0.03 0.49 0.00 -1.00 0.00 0.00 59.36 58.92 2diu h GLU 60 Cb 0.43 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 2diu h GLU 60 CO 0.01 -0.26 1.20 0.00 -1.00 0.00 0.00 179.01 178.96 2diu h ARG 61 N -0.40 0.01 0.03 2.33 3.08 -1.49 1.69 114.38 119.64 2diu h ARG 61 Ca 0.02 -0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.79 2diu h ARG 61 Cb 0.46 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 2diu h ARG 61 CO -0.29 0.01 -1.53 0.00 -1.07 0.00 0.00 179.97 177.09 2diu h ALA 62 N 1.19 0.57 0.00 0.04 0.00 -0.75 -2.96 119.26 117.36 2diu h ALA 62 Ca 0.82 -1.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2diu h ALA 62 Cb 3.21 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 21.30 2diu h ALA 62 CO -0.06 1.42 -0.44 0.37 0.00 0.00 0.00 179.25 180.53 2diu h GLN 63 N 0.02 0.00 0.00 0.00 -0.00 0.67 -0.25 115.11 115.55 2diu h GLN 63 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.41 2diu h GLN 63 Cb 1.96 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.43 2diu h GLN 63 CO 0.11 0.44 -0.95 1.57 0.00 0.00 0.00 178.83 180.00 2diu h LYS 64 N 0.00 0.00 0.02 1.69 5.09 -0.23 -3.00 116.57 120.14 2diu h LYS 64 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.40 2diu h LYS 64 Cb 1.20 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.48 2diu h LYS 64 CO 0.06 0.03 -2.03 2.89 -2.09 0.00 0.00 179.45 178.30 2diu n ARG 65 N -2.74 0.67 -0.02 0.07 -4.01 -1.12 -4.24 116.66 105.28 2diu n ARG 65 Ca -0.00 0.19 -0.16 0.00 -1.04 0.00 0.00 57.85 56.83 2diu n ARG 65 Cb 0.57 -1.67 -0.12 0.00 -3.04 0.00 0.00 32.46 28.20 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 0.01 0.21 -1.20 2.89 2.86 -1.18 -1.03 114.93 117.49 2diu h MET 66 Ca -0.42 -0.25 0.35 0.00 -2.06 0.00 0.00 59.70 57.32 2diu h MET 66 Cb 2.07 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 33.76 2diu h MET 66 CO 0.05 1.00 0.86 1.05 1.06 0.00 0.00 176.91 180.93 2diu h GLU 67 N -0.47 0.03 0.06 1.72 4.11 -1.69 0.25 114.58 118.59 2diu h GLU 67 Ca -0.05 -0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.01 2diu h GLU 67 Cb 1.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2diu h GLU 67 CO 0.07 0.02 -2.17 0.09 0.07 0.00 0.00 179.01 177.09 2diu n ASN 68 N -4.21 1.78 -3.82 3.06 5.03 -1.22 -4.43 115.26 111.45 2diu n ASN 68 Ca 0.26 0.09 -0.30 0.00 0.87 0.00 0.00 54.58 55.51 2diu n ASN 68 Cb 1.25 -0.47 0.28 0.00 -1.02 0.00 0.00 39.78 39.82 2diu n ASN 68 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2diu s GLU 69 N -2.54 -2.43 -0.24 3.52 0.41 0.08 -4.78 118.70 112.71 2diu s GLU 69 Ca -0.24 0.44 -0.03 0.00 -0.41 0.00 0.00 54.97 54.73 2diu s GLU 69 Cb 0.08 -1.41 0.13 0.00 -1.78 0.00 0.00 34.13 31.15 2diu s GLU 69 CO 0.72 -4.62 0.36 0.16 -0.49 0.00 0.00 175.26 171.39 2diu s ASP 70 N -2.77 0.35 0.18 -0.19 -4.77 -1.26 -2.87 116.67 105.35 2diu s ASP 70 Ca 0.68 0.18 -0.14 0.00 -3.30 0.00 0.00 52.55 49.97 2diu s ASP 70 Cb -0.19 1.05 0.17 0.00 -1.09 0.00 0.00 42.92 42.86 2diu s ASP 70 CO 0.61 -0.30 1.21 0.52 0.70 0.00 0.00 175.17 177.91 2diu n VAL 71 N 5.36 -0.42 -3.15 2.11 0.31 -1.20 -4.24 118.33 117.10 2diu n VAL 71 Ca -0.04 1.83 0.04 0.00 -0.01 0.00 0.00 64.34 66.17 2diu n VAL 71 Cb 0.50 -2.41 -0.00 0.00 -0.91 0.00 0.00 33.84 31.01 2diu n VAL 71 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2diu s PHE 72 N -5.72 -1.74 -0.58 3.52 0.08 -1.26 -4.93 117.98 107.35 2diu s PHE 72 Ca -0.11 1.40 -0.02 0.00 0.12 0.00 0.00 56.93 58.32 2diu s PHE 72 Cb 0.15 0.44 0.02 0.00 -0.57 0.00 0.00 43.02 43.07 2diu s PHE 72 CO 0.55 -0.98 0.09 0.41 -0.10 0.00 0.00 175.22 175.19 2diu n GLY 73 N 5.42 -0.49 3.38 4.36 0.00 -1.26 -4.88 105.19 111.73 2diu n GLY 73 Ca 0.02 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2diu n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2diu s ASN 74 N -2.16 -0.55 0.34 1.61 4.22 -1.26 -5.15 114.94 111.99 2diu s ASN 74 Ca 0.10 1.15 -0.28 0.00 -2.14 0.00 0.00 52.86 51.68 2diu s ASN 74 Cb -0.05 1.46 -0.10 0.00 1.28 0.00 0.00 41.25 43.84 2diu s ASN 74 CO 0.12 -0.22 1.26 -0.13 -2.04 0.00 0.00 177.10 176.08 2diu s ARG 75 N 2.38 4.30 0.21 3.55 0.52 -1.26 -3.21 118.95 125.43 2diu s ARG 75 Ca -0.05 2.10 0.08 0.00 -0.52 0.00 0.00 55.73 57.35 2diu s ARG 75 Cb -0.11 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 2diu s ARG 75 CO -0.15 -0.19 -0.02 0.96 0.02 0.00 0.00 175.30 175.92 2diu s ILE 76 N -1.20 3.54 -0.19 1.52 -4.36 -1.14 -4.80 121.20 114.58 2diu s ILE 76 Ca 0.50 -1.63 -0.00 0.00 -0.26 0.00 0.00 60.65 59.26 2diu s ILE 76 Cb -0.37 -2.82 0.01 0.00 1.25 0.00 0.00 42.46 40.53 2diu s ILE 76 CO 0.49 -0.20 -0.15 -0.63 0.24 0.00 0.00 174.94 174.69 2diu s ILE 77 N -1.92 2.51 -0.18 8.37 1.01 -0.30 -4.21 121.20 126.48 2diu s ILE 77 Ca 0.28 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2diu s ILE 77 Cb -0.08 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2diu s ILE 77 CO 0.18 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 174.89 2diu s VAL 78 N 1.27 3.57 0.08 2.92 1.01 -1.26 0.86 120.40 128.86 2diu s VAL 78 Ca 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2diu s VAL 78 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2diu s VAL 78 CO -0.08 0.47 -0.08 -0.55 0.00 0.00 0.00 175.10 174.85 2diu s SER 79 N 0.79 1.17 0.31 3.32 0.15 0.75 -4.86 113.70 115.33 2diu s SER 79 Ca -0.02 -0.80 0.21 0.00 0.70 0.00 0.00 55.95 56.05 2diu s SER 79 Cb -0.15 0.04 0.15 0.00 -1.71 0.00 0.00 66.02 64.36 2diu s SER 79 CO 0.02 -0.31 1.34 -0.26 1.20 0.00 0.00 173.24 175.22 2diu h PHE 80 N 3.65 0.00 -2.71 3.44 0.04 -1.87 0.70 116.94 120.19 2diu h PHE 80 Ca -0.36 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.81 2diu h PHE 80 Cb 1.18 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.22 2diu h PHE 80 CO 0.62 0.13 -0.66 0.95 -0.60 0.00 0.00 178.31 178.75 2diu s THR 81 N -3.20 3.57 0.85 -1.55 -4.23 -1.26 -4.79 115.64 105.04 2diu s THR 81 Ca 0.03 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 2diu s THR 81 Cb 0.07 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 71.19 2diu s THR 81 CO 0.73 -0.18 1.09 -2.16 -0.54 0.00 0.00 174.62 173.56 2diu s PRO 82 N -3.13 1.63 -0.49 3.99 0.04 -1.26 -4.89 135.00 130.89 2diu s PRO 82 Ca 0.28 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2diu s PRO 82 Cb -0.08 -1.84 0.47 0.00 0.04 0.00 0.00 34.50 33.08 2diu s PRO 82 CO 0.18 -2.02 1.92 1.63 0.04 0.00 0.00 177.00 178.76 2diu n LYS 83 N -3.75 2.27 0.13 4.56 4.76 -1.26 -4.56 118.16 120.32 2diu n LYS 83 Ca 0.08 -2.70 -0.07 0.00 -2.87 0.00 0.00 58.31 52.75 2diu n LYS 83 Cb 0.54 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 2diu n LYS 83 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2diu h ASN 84 N 1.40 -0.36 -3.07 4.39 -1.24 -2.07 -3.46 115.58 111.18 2diu h ASN 84 Ca 0.53 0.01 -0.21 0.00 0.71 0.00 0.00 56.30 57.34 2diu h ASN 84 Cb 1.64 0.09 -0.32 0.00 0.73 0.00 0.00 38.32 40.46 2diu h ASN 84 CO 1.18 0.09 -0.52 -0.13 -1.29 0.00 0.00 177.43 176.75 2diu s ARG 85 N -2.93 0.16 -0.35 6.67 1.81 -1.26 -5.13 118.95 117.92 2diu s ARG 85 Ca -0.06 0.65 -0.07 0.00 -1.72 0.00 0.00 55.73 54.53 2diu s ARG 85 Cb 0.01 -0.09 0.04 0.00 -0.45 0.00 0.00 34.95 34.46 2diu s ARG 85 CO 0.19 -0.24 0.13 -1.83 -0.68 0.00 0.00 175.30 172.87 2diu s GLU 86 N 1.96 2.62 -0.30 3.54 -1.05 -1.26 -5.05 118.70 119.16 2diu s GLU 86 Ca -0.03 -1.20 0.02 0.00 -0.15 0.00 0.00 54.97 53.61 2diu s GLU 86 Cb -0.11 -3.51 0.09 0.00 -0.44 0.00 0.00 34.13 30.15 2diu s GLU 86 CO -0.08 -0.70 0.02 -0.51 0.95 0.00 0.00 175.26 174.94 2diu s LEU 87 N 1.41 3.60 -0.19 1.83 1.43 -1.26 -5.09 118.68 120.41 2diu s LEU 87 Ca -0.01 -1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 51.06 2diu s LEU 87 Cb -0.20 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.66 2diu s LEU 87 CO 0.03 -0.33 1.06 0.00 0.23 0.00 0.00 176.35 177.34 2diu s GLU 89 N 2.94 1.12 -0.15 0.00 0.41 -1.26 -5.03 118.70 116.73 2diu s GLU 89 Ca 0.46 -0.20 -0.12 0.00 -0.41 0.00 0.00 54.97 54.70 2diu s GLU 89 Cb -0.17 -1.52 -0.07 0.00 -1.78 0.00 0.00 34.13 30.60 2diu s GLU 89 CO 0.10 -0.35 -0.05 1.15 -0.49 0.00 0.00 175.26 175.63 2diu h THR 90 N 6.30 0.26 -0.49 3.63 2.02 -2.09 -3.49 112.91 119.05 2diu h THR 90 Ca -0.24 -1.31 0.22 0.00 0.77 0.00 0.00 66.41 65.85 2diu h THR 90 Cb 1.12 0.60 -0.22 0.00 -1.74 0.00 0.00 68.15 67.91 2diu h THR 90 CO 0.35 0.09 0.15 -0.55 0.37 0.00 0.00 175.52 175.92 2diu s SER 91 N -5.99 -0.52 0.47 4.18 0.15 -1.26 -5.15 113.70 105.57 2diu s SER 91 Ca -0.17 0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.69 2diu s SER 91 Cb 0.03 1.47 -0.13 0.00 -1.71 0.00 0.00 66.02 65.68 2diu s SER 91 CO 0.30 -0.10 0.24 0.61 1.20 0.00 0.00 173.24 175.49 2diu n GLY 92 N 5.33 -2.28 3.69 9.45 0.00 -1.26 -4.84 105.19 115.28 2diu n GLY 92 Ca -0.07 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.37 4.28 -1.37 1.61 0.04 -1.26 -3.47 135.00 133.46 2diu s PRO 93 Ca 0.62 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.55 2diu s PRO 93 Cb -0.55 -3.51 0.14 0.00 0.04 0.00 0.00 34.50 30.62 2diu s PRO 93 CO 0.61 -0.56 0.34 0.43 0.04 0.00 0.00 177.00 177.86 2diu n SER 94 N 5.08 -0.86 -4.70 6.66 7.64 -1.26 -4.79 113.62 121.39 2diu n SER 94 Ca 0.13 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 2diu n SER 94 Cb 0.43 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 2diu n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diu s SER 95 N -3.05 6.90 0.00 6.43 1.04 -1.23 -5.31 113.70 118.48 2diu s SER 95 Ca 0.48 2.13 0.12 0.00 0.48 0.00 0.00 55.95 59.16 2diu s SER 95 Cb -0.28 -2.57 0.75 0.00 0.10 0.00 0.00 66.02 64.02 2diu s SER 95 CO 0.78 -0.64 1.18 0.61 0.98 0.00 0.00 173.24 176.14