#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 6.46 -0.22 1.61 0.01 -1.26 -4.95 113.70 115.35 2diu s SER 2 Ca 0.00 -1.68 -0.27 0.00 1.31 0.00 0.00 55.95 55.31 2diu s SER 2 Cb 0.00 -2.40 0.10 0.00 0.21 0.00 0.00 66.02 63.94 2diu s SER 2 CO 0.00 -1.18 0.91 -0.55 0.41 0.00 0.00 173.24 172.83 2diu s SER 3 N 3.66 -0.53 -0.37 2.44 0.15 -1.26 -5.13 113.70 112.65 2diu s SER 3 Ca 0.28 0.88 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 2diu s SER 3 Cb -0.10 0.84 0.08 0.00 -1.71 0.00 0.00 66.02 65.13 2diu s SER 3 CO -0.02 -0.27 0.15 -0.83 1.20 0.00 0.00 173.24 173.46 2diu s GLY 4 N -0.21 1.91 0.14 9.45 0.00 -1.26 -5.06 107.32 112.29 2diu s GLY 4 Ca -0.00 -2.18 -0.23 0.00 0.00 0.00 0.00 44.72 42.31 2diu s GLY 4 CO -0.01 0.90 0.60 -0.45 0.00 0.00 0.00 173.10 174.14 2diu s SER 5 N 1.68 -0.56 -0.06 1.64 0.15 -1.26 -5.17 113.70 110.12 2diu s SER 5 Ca 0.03 0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.71 2diu s SER 5 Cb -0.22 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 2diu s SER 5 CO -0.01 -0.94 -0.02 -0.44 1.20 0.00 0.00 173.24 173.02 2diu s SER 6 N -2.64 5.01 0.00 5.45 0.01 -1.26 -5.09 113.70 115.17 2diu s SER 6 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2diu s SER 6 Cb -0.01 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2diu s SER 6 CO -0.11 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2diu n GLY 7 N 2.01 4.92 3.83 3.44 0.00 -1.26 -5.17 105.19 112.97 2diu n GLY 7 Ca -0.18 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.40 -0.72 -3.89 0.00 -0.00 -1.26 -4.75 115.22 103.19 2diu n HIS 9 Ca 0.00 0.26 -0.29 0.00 -0.00 0.00 0.00 57.72 57.69 2diu n HIS 9 Cb 0.61 -1.83 -0.16 0.00 -0.00 0.00 0.00 29.99 28.61 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 1.20 0.08 1.59 2.01 -0.11 -4.94 115.64 113.01 2diu s THR 10 Ca 0.61 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 2diu s THR 10 Cb -0.21 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2diu s THR 10 CO 0.64 0.02 0.28 -0.76 -0.69 0.00 0.00 174.62 174.11 2diu s LEU 11 N 1.57 4.33 0.18 4.42 1.43 -1.26 -0.01 118.68 129.34 2diu s LEU 11 Ca -0.02 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2diu s LEU 11 Cb -0.17 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2diu s LEU 11 CO -0.07 0.14 0.01 -0.76 0.23 0.00 0.00 176.35 175.90 2diu s LEU 12 N -2.43 3.36 -0.25 1.79 1.43 0.46 -4.80 118.68 118.24 2diu s LEU 12 Ca 0.36 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2diu s LEU 12 Cb -0.13 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.16 2diu s LEU 12 CO 0.25 0.08 -0.05 -0.31 0.23 0.00 0.00 176.35 176.55 2diu s TYR 13 N -1.77 2.64 0.10 0.29 2.02 0.11 -1.25 117.35 119.48 2diu s TYR 13 Ca 0.28 -1.97 -0.08 0.00 -0.37 0.00 0.00 57.07 54.94 2diu s TYR 13 Cb -0.09 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 39.65 2diu s TYR 13 CO 0.19 -0.81 0.39 0.08 -1.57 0.00 0.00 175.55 173.83 2diu s VAL 14 N 1.31 5.13 0.25 0.71 1.01 0.11 -0.03 120.40 128.89 2diu s VAL 14 Ca -0.04 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2diu s VAL 14 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2diu s VAL 14 CO -0.07 0.19 0.18 -0.31 0.00 0.00 0.00 175.10 175.09 2diu s TYR 15 N -1.50 1.40 -1.20 5.22 1.51 0.17 -0.25 117.35 122.70 2diu s TYR 15 Ca 0.36 -1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 54.95 2diu s TYR 15 Cb -0.13 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2diu s TYR 15 CO 0.20 -0.68 0.93 0.09 -1.11 0.00 0.00 175.55 174.98 2diu n ASN 16 N -0.72 -2.52 -4.88 2.29 4.13 -0.14 -0.82 115.26 112.60 2diu n ASN 16 Ca 0.03 -0.68 -0.31 0.00 1.68 0.00 0.00 54.58 55.31 2diu n ASN 16 Cb 0.65 -4.90 -0.05 0.00 -1.54 0.00 0.00 39.78 33.94 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 -6.30 4.10 -0.97 3.41 1.43 -0.12 -4.23 118.68 116.00 2diu s LEU 17 Ca 0.07 0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 53.87 2diu s LEU 17 Cb -0.01 -3.73 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 2diu s LEU 17 CO 0.75 -0.15 1.94 -2.16 0.23 0.00 0.00 176.35 176.97 2diu s PRO 18 N -3.10 2.54 0.16 1.29 0.04 -1.26 -4.75 135.00 129.92 2diu s PRO 18 Ca 0.48 -0.49 -0.18 0.00 0.04 0.00 0.00 61.00 60.85 2diu s PRO 18 Cb -0.11 -5.10 0.07 0.00 0.04 0.00 0.00 34.50 29.40 2diu s PRO 18 CO 0.24 -3.52 1.66 0.00 0.04 0.00 0.00 177.00 175.42 2diu h ALA 19 N 10.93 0.17 -0.77 8.56 0.00 -1.94 -1.77 119.26 134.45 2diu h ALA 19 Ca 0.12 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.34 2diu h ALA 19 Cb 0.99 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 2diu h ALA 19 CO 1.21 -0.50 -0.08 -0.91 0.00 0.00 0.00 179.25 178.97 2diu h ASN 20 N -0.06 -0.51 -2.40 0.00 2.35 -2.01 -3.39 115.58 109.57 2diu h ASN 20 Ca 0.18 0.21 -0.54 0.00 -0.55 0.00 0.00 56.30 55.60 2diu h ASN 20 Cb 0.33 0.41 0.01 0.00 0.05 0.00 0.00 38.32 39.11 2diu h ASN 20 CO -0.40 -0.22 1.23 -0.54 -1.65 0.00 0.00 177.43 175.85 2diu s LYS 21 N -6.17 4.00 -0.31 0.81 -0.14 -0.67 -4.85 119.74 112.42 2diu s LYS 21 Ca -0.14 2.39 -0.43 0.00 -1.36 0.00 0.00 55.97 56.44 2diu s LYS 21 Cb 0.22 -4.15 -0.18 0.00 -1.68 0.00 0.00 37.83 32.05 2diu s LYS 21 CO 0.75 -1.10 1.56 -0.25 -0.76 0.00 0.00 175.35 175.56 2diu n ASP 22 N 8.04 1.52 -0.41 2.83 9.92 -1.26 -4.59 116.55 132.60 2diu n ASP 22 Ca 0.21 1.14 0.36 0.00 -0.53 0.00 0.00 54.79 55.96 2diu n ASP 22 Cb 0.42 -1.01 0.62 0.00 -0.64 0.00 0.00 41.12 40.52 2diu n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2diu n GLY 23 N 3.62 -0.77 0.15 0.44 0.00 -1.26 0.88 105.19 108.25 2diu n GLY 23 Ca 0.27 0.74 -0.06 0.00 0.00 0.00 0.00 46.02 46.96 2diu n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diu h LYS 24 N 0.00 0.18 -0.27 1.61 6.56 -2.01 -0.97 116.57 121.68 2diu h LYS 24 Ca 0.83 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 60.35 2diu h LYS 24 Cb 2.53 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 34.15 2diu h LYS 24 CO -0.53 0.12 -0.07 0.77 -2.06 0.00 0.00 179.45 177.68 2diu h SER 25 N 0.18 0.52 0.11 0.86 0.02 0.17 -3.18 113.55 112.24 2diu h SER 25 Ca 0.16 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2diu h SER 25 Cb 0.17 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2diu h SER 25 CO -0.20 0.77 -0.18 0.58 -1.14 0.00 0.00 176.83 176.65 2diu h VAL 26 N 0.27 0.00 -0.27 2.27 2.07 -1.04 -2.53 116.25 117.01 2diu h VAL 26 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2diu h VAL 26 Cb 0.54 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2diu h VAL 26 CO 0.03 0.00 -0.16 -1.20 0.02 0.00 0.00 177.57 176.26 2diu n SER 27 N -3.44 -0.29 -0.37 0.57 7.64 -0.40 -0.46 113.62 116.88 2diu n SER 27 Ca -0.04 1.06 -0.05 0.00 1.01 0.00 0.00 58.87 60.86 2diu n SER 27 Cb 0.15 -0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2diu n ASN 28 N -3.55 -0.75 -0.34 6.43 5.15 -1.19 0.17 115.26 121.18 2diu n ASN 28 Ca 0.01 1.61 0.21 0.00 -0.60 0.00 0.00 54.58 55.81 2diu n ASN 28 Cb 0.07 -0.30 0.46 0.00 -0.53 0.00 0.00 39.78 39.48 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 0.44 0.10 1.20 9.65 -0.32 0.83 114.38 126.28 2diu h ARG 29 Ca 0.25 -0.03 -0.27 0.00 -1.10 0.00 0.00 59.98 58.83 2diu h ARG 29 Cb 0.48 -0.10 0.03 0.00 -1.39 0.00 0.00 29.97 28.98 2diu h ARG 29 CO -0.89 0.29 -1.12 -0.07 2.80 0.00 0.00 179.97 180.99 2diu h LEU 30 N 0.45 0.81 -0.88 3.80 4.07 0.24 -3.32 115.31 120.47 2diu h LEU 30 Ca 0.64 -0.82 0.19 0.00 0.08 0.00 0.00 57.88 57.97 2diu h LEU 30 Cb 1.46 -0.25 -0.17 0.00 1.08 0.00 0.00 40.66 42.78 2diu h LEU 30 CO -0.41 1.54 -0.18 0.03 -1.08 0.00 0.00 178.44 178.35 2diu h ARG 31 N 0.17 0.01 -0.22 1.13 3.08 0.21 0.29 114.38 119.06 2diu h ARG 31 Ca -0.17 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.91 2diu h ARG 31 Cb 1.81 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.83 2diu h ARG 31 CO 0.21 0.01 0.05 0.00 -1.07 0.00 0.00 179.97 179.17 2diu h ARG 32 N 0.01 0.14 0.00 0.04 2.47 -1.60 0.52 114.38 115.96 2diu h ARG 32 Ca 0.44 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.15 2diu h ARG 32 Cb 0.71 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2diu h ARG 32 CO -0.89 0.09 -0.00 -0.07 0.56 0.00 0.00 179.97 179.66 2diu h LEU 33 N 0.14 0.00 0.00 3.04 3.38 -0.62 -1.31 115.31 119.94 2diu h LEU 33 Ca 0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 2diu h LEU 33 Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2diu h LEU 33 CO -0.12 0.00 -1.60 -1.28 0.09 0.00 0.00 178.44 175.54 2diu h SER 34 N 0.00 0.00 -0.45 -0.43 0.87 0.30 -3.12 113.55 110.72 2diu h SER 34 Ca -0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2diu h SER 34 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2diu h SER 34 CO 0.00 0.90 -0.07 -0.78 -0.53 0.00 0.00 176.83 176.35 2diu h ASP 35 N 0.00 0.84 0.55 6.23 1.82 0.11 1.76 116.42 127.73 2diu h ASP 35 Ca -0.24 -0.35 -0.20 0.00 -0.39 0.00 0.00 57.03 55.85 2diu h ASP 35 Cb 1.90 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.67 2diu h ASP 35 CO 0.07 0.99 -0.87 -1.13 -1.61 0.00 0.00 179.24 176.70 2diu h ASN 36 N 0.68 0.28 -0.38 2.28 -0.73 -1.53 -3.10 115.58 113.09 2diu h ASN 36 Ca 0.12 -0.23 -0.04 0.00 1.87 0.00 0.00 56.30 58.02 2diu h ASN 36 Cb 0.60 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 2diu h ASN 36 CO 0.04 1.02 0.05 0.00 -0.37 0.00 0.00 177.43 178.17 2diu n GLY 38 N 0.28 -1.07 3.78 0.00 0.00 -0.65 -4.38 105.19 103.14 2diu n GLY 38 Ca 0.19 0.75 -0.09 0.00 0.00 0.00 0.00 46.02 46.86 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 -2.71 0.48 -0.17 -0.02 0.00 0.59 -4.17 107.32 101.32 2diu s GLY 39 Ca 0.10 -0.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 2diu s GLY 39 CO 0.82 -0.38 0.37 1.25 0.00 0.00 0.00 173.10 175.16 2diu s LYS 40 N -2.39 0.29 -0.68 2.90 2.20 -0.64 -4.08 119.74 117.34 2diu s LYS 40 Ca 0.17 0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 56.39 2diu s LYS 40 Cb -0.05 0.12 -0.07 0.00 -1.51 0.00 0.00 37.83 36.32 2diu s LYS 40 CO 0.12 -0.23 2.18 0.54 -0.36 0.00 0.00 175.35 177.60 2diu s VAL 41 N 2.14 3.18 0.14 4.02 0.11 -1.26 -1.09 120.40 127.65 2diu s VAL 41 Ca -0.04 -0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 58.78 2diu s VAL 41 Cb -0.11 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2diu s VAL 41 CO -0.11 -0.43 1.67 -0.07 -3.33 0.00 0.00 175.10 172.82 2diu h LEU 42 N 19.25 -0.45 -7.79 2.54 3.38 -1.34 -3.47 115.31 127.44 2diu h LEU 42 Ca -0.11 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2diu h LEU 42 Cb 1.12 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 2diu h LEU 42 CO 1.15 -0.17 0.40 -0.44 0.09 0.00 0.00 178.44 179.47 2diu s SER 43 N -5.12 -0.19 -0.22 -0.43 0.01 -1.10 -5.04 113.70 101.60 2diu s SER 43 Ca -0.14 -0.51 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 2diu s SER 43 Cb 0.12 0.58 0.07 0.00 0.21 0.00 0.00 66.02 67.00 2diu s SER 43 CO 0.69 -1.07 0.09 -0.63 0.41 0.00 0.00 173.24 172.72 2diu s ILE 44 N -3.41 0.17 -0.12 1.44 1.01 -1.26 -1.60 121.20 117.43 2diu s ILE 44 Ca 0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2diu s ILE 44 Cb -0.03 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2diu s ILE 44 CO 0.04 -0.42 -0.01 0.42 0.00 0.00 0.00 174.94 174.97 2diu s THR 45 N 2.00 4.19 0.00 2.92 -4.23 -0.57 -4.97 115.64 114.98 2diu s THR 45 Ca 0.04 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2diu s THR 45 Cb -0.16 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2diu s THR 45 CO -0.18 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2diu n GLY 46 N 2.78 1.61 0.91 3.99 0.00 -1.26 0.03 105.19 113.26 2diu n GLY 46 Ca -0.18 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.15 2.12 0.10 0.00 1.04 0.10 -0.95 113.70 115.97 2diu s SER 48 Ca 0.15 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.17 2diu s SER 48 Cb 0.11 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2diu s SER 48 CO 0.04 -0.52 0.33 0.00 0.98 0.00 0.00 173.24 174.07 2diu s ALA 49 N -3.33 -0.70 -0.09 5.32 0.00 0.65 -1.51 121.76 122.10 2diu s ALA 49 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2diu s ALA 49 Cb 0.06 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2diu s ALA 49 CO 0.12 -0.56 -0.08 0.42 0.00 0.00 0.00 175.76 175.65 2diu s ILE 50 N -3.57 0.95 0.23 0.00 1.01 -0.63 0.04 121.20 119.24 2diu s ILE 50 Ca 0.02 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.47 2diu s ILE 50 Cb 0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2diu s ILE 50 CO -0.10 0.34 0.01 -0.76 0.00 0.00 0.00 174.94 174.43 2diu s LEU 51 N 1.37 3.26 -0.14 2.97 1.02 -0.38 -0.90 118.68 125.89 2diu s LEU 51 Ca -0.02 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.62 2diu s LEU 51 Cb -0.14 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.25 2diu s LEU 51 CO -0.04 0.03 -0.21 -0.60 0.02 0.00 0.00 176.35 175.55 2diu s ARG 52 N -3.41 2.93 0.11 1.70 3.52 -0.25 -0.40 118.95 123.15 2diu s ARG 52 Ca 0.30 -0.82 0.11 0.00 -0.13 0.00 0.00 55.73 55.18 2diu s ARG 52 Cb -0.08 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 2diu s ARG 52 CO 0.20 -0.05 -0.27 -0.06 -0.81 0.00 0.00 175.30 174.31 2diu s PHE 53 N 0.90 2.32 0.19 5.12 0.40 0.98 -1.62 117.98 126.27 2diu s PHE 53 Ca -0.05 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 2diu s PHE 53 Cb -0.15 -1.28 0.13 0.00 0.51 0.00 0.00 43.02 42.23 2diu s PHE 53 CO -0.03 0.30 1.82 0.97 0.70 0.00 0.00 175.22 178.97 2diu h ILE 54 N 3.94 1.05 -4.59 0.64 2.10 -1.82 -0.26 117.51 118.57 2diu h ILE 54 Ca -0.50 -0.23 -0.38 0.00 1.08 0.00 0.00 64.86 64.83 2diu h ILE 54 Cb 1.16 0.33 -0.11 0.00 -1.09 0.00 0.00 36.82 37.11 2diu h ILE 54 CO 0.40 0.12 -0.38 0.54 -1.08 0.00 0.00 178.15 177.75 2diu s ASN 55 N -5.61 1.30 0.04 2.19 2.20 -1.26 -4.19 114.94 109.61 2diu s ASN 55 Ca -0.13 -1.63 -0.21 0.00 -0.94 0.00 0.00 52.86 49.94 2diu s ASN 55 Cb 0.14 0.59 -0.11 0.00 -2.00 0.00 0.00 41.25 39.86 2diu s ASN 55 CO 0.75 -1.14 1.33 -0.61 -2.94 0.00 0.00 177.10 174.49 2diu h GLN 56 N 2.16 -0.64 -0.08 3.55 5.75 -1.89 -2.66 115.11 121.29 2diu h GLN 56 Ca -0.27 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.28 2diu h GLN 56 Cb 1.24 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 2diu h GLN 56 CO 0.38 -0.43 -0.05 -3.47 -2.65 0.00 0.00 178.83 172.62 2diu n ASP 57 N -4.15 -0.09 -0.32 -0.69 2.03 -1.26 0.73 116.55 112.79 2diu n ASP 57 Ca -0.08 0.77 0.08 0.00 0.52 0.00 0.00 54.79 56.09 2diu n ASP 57 Cb 0.29 -0.33 0.19 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.63 -0.77 1.67 0.02 -1.83 0.88 113.55 112.89 2diu h SER 58 Ca 0.01 0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2diu h SER 58 Cb 0.03 0.50 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2diu h SER 58 CO -0.08 -0.30 0.41 0.00 -1.14 0.00 0.00 176.83 175.72 2diu h ALA 59 N 1.91 1.25 0.30 3.77 0.00 0.67 -3.21 119.26 123.96 2diu h ALA 59 Ca 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2diu h ALA 59 Cb 0.89 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2diu h ALA 59 CO -0.89 0.60 -0.17 0.93 0.00 0.00 0.00 179.25 179.72 2diu h GLU 60 N 1.10 -0.42 -0.91 0.00 4.39 0.43 -0.27 114.58 118.91 2diu h GLU 60 Ca 0.27 0.03 0.32 0.00 0.34 0.00 0.00 59.36 60.33 2diu h GLU 60 Cb 0.05 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.69 2diu h GLU 60 CO -0.04 -0.28 0.57 0.54 -1.16 0.00 0.00 179.01 178.64 2diu n ARG 61 N -3.26 -0.03 0.05 2.33 1.74 -0.74 0.25 116.66 117.00 2diu n ARG 61 Ca -0.05 0.88 -0.20 0.00 -0.77 0.00 0.00 57.85 57.71 2diu n ARG 61 Cb 0.17 -1.71 -0.14 0.00 -1.02 0.00 0.00 32.46 29.77 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 1.15 -0.07 0.00 7.54 0.00 -1.48 -1.75 119.26 124.65 2diu h ALA 62 Ca 0.60 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2diu h ALA 62 Cb 1.89 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2diu h ALA 62 CO -0.36 0.38 -0.13 0.37 0.00 0.00 0.00 179.25 179.51 2diu h GLN 63 N -0.32 0.00 0.00 0.00 -0.00 0.51 0.33 115.11 115.62 2diu h GLN 63 Ca -0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.35 2diu h GLN 63 Cb 1.61 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 29.06 2diu h GLN 63 CO 0.15 0.13 -1.45 0.36 0.00 0.00 0.00 178.83 178.02 2diu n LYS 64 N -3.56 0.62 -0.06 1.69 -0.00 0.15 -3.47 118.16 113.53 2diu n LYS 64 Ca -0.01 0.19 -0.04 0.00 -0.00 0.00 0.00 58.31 58.45 2diu n LYS 64 Cb 0.27 -1.78 -0.01 0.00 -0.00 0.00 0.00 35.03 33.51 2diu n LYS 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2diu h ARG 65 N 0.00 0.00 -0.43 -1.58 9.65 -0.80 -3.38 114.38 117.83 2diu h ARG 65 Ca -0.16 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2diu h ARG 65 Cb 1.55 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.06 2diu h ARG 65 CO 0.04 0.00 -0.01 0.52 2.80 0.00 0.00 179.97 183.32 2diu h MET 66 N -0.98 0.10 -1.20 0.20 2.86 -0.59 0.71 114.93 116.02 2diu h MET 66 Ca 0.00 -0.01 0.44 0.00 -2.06 0.00 0.00 59.70 58.08 2diu h MET 66 Cb 0.40 -0.02 -0.15 0.00 0.06 0.00 0.00 31.60 31.89 2diu h MET 66 CO 0.00 0.07 0.73 -0.85 1.06 0.00 0.00 176.91 177.92 2diu n GLU 67 N -5.21 -0.04 0.02 1.72 0.28 -1.23 0.23 120.64 116.40 2diu n GLU 67 Ca 0.04 1.26 0.11 0.00 -0.16 0.00 0.00 57.16 58.41 2diu n GLU 67 Cb 0.23 -2.40 -0.12 0.00 1.43 0.00 0.00 31.44 30.58 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 -4.86 0.28 -4.69 -1.84 5.03 -0.37 -4.54 115.26 104.28 2diu n ASN 68 Ca 0.38 -0.01 -0.29 0.00 0.87 0.00 0.00 54.58 55.54 2diu n ASN 68 Cb 1.42 1.52 0.17 0.00 -1.02 0.00 0.00 39.78 41.88 2diu n ASN 68 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2diu s GLU 69 N -3.43 0.52 -0.22 3.52 2.56 0.62 -4.94 118.70 117.32 2diu s GLU 69 Ca -0.05 0.51 -0.04 0.00 0.00 0.00 0.00 54.97 55.39 2diu s GLU 69 Cb 0.13 -1.75 0.07 0.00 2.00 0.00 0.00 34.13 34.59 2diu s GLU 69 CO 0.87 -2.67 0.09 0.34 -0.56 0.00 0.00 175.26 173.34 2diu s ASP 70 N -3.51 2.91 0.14 -1.70 2.15 -1.26 -3.47 116.67 111.93 2diu s ASP 70 Ca 0.65 -0.92 -0.26 0.00 0.43 0.00 0.00 52.55 52.45 2diu s ASP 70 Cb -0.18 -0.37 -0.01 0.00 -0.30 0.00 0.00 42.92 42.06 2diu s ASP 70 CO 0.57 -0.37 1.60 0.58 -0.17 0.00 0.00 175.17 177.37 2diu h VAL 71 N 6.44 0.22 -1.05 1.11 2.07 -1.92 -3.43 116.25 119.68 2diu h VAL 71 Ca -0.17 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.49 2diu h VAL 71 Cb 1.09 0.22 -0.21 0.00 -1.52 0.00 0.00 31.29 30.87 2diu h VAL 71 CO 0.35 0.00 -0.08 -0.36 0.02 0.00 0.00 177.57 177.51 2diu s PHE 72 N -5.96 -1.18 -1.59 1.57 0.08 -1.26 -4.95 117.98 104.70 2diu s PHE 72 Ca -0.15 1.51 -0.20 0.00 0.12 0.00 0.00 56.93 58.20 2diu s PHE 72 Cb 0.11 0.51 0.20 0.00 -0.57 0.00 0.00 43.02 43.27 2diu s PHE 72 CO 0.66 -0.62 0.50 0.41 -0.10 0.00 0.00 175.22 176.07 2diu n GLY 73 N 5.37 -0.39 3.64 4.36 0.00 -1.26 -4.82 105.19 112.10 2diu n GLY 73 Ca -0.06 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.99 -0.29 0.07 1.61 2.47 -1.26 -5.07 114.94 109.48 2diu s ASN 74 Ca 0.71 0.54 -0.21 0.00 0.42 0.00 0.00 52.86 54.32 2diu s ASN 74 Cb -0.41 0.62 -0.07 0.00 -1.45 0.00 0.00 41.25 39.95 2diu s ASN 74 CO 0.87 -0.09 0.61 -0.60 -3.72 0.00 0.00 177.10 174.16 2diu s ARG 75 N 0.29 4.29 0.18 0.43 3.52 -1.26 -3.13 118.95 123.27 2diu s ARG 75 Ca 0.03 0.81 0.04 0.00 -0.13 0.00 0.00 55.73 56.48 2diu s ARG 75 Cb -0.05 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 2diu s ARG 75 CO -0.11 0.56 0.26 0.96 -0.81 0.00 0.00 175.30 176.16 2diu s ILE 76 N -0.86 5.05 -0.26 4.11 -4.36 -1.23 -4.75 121.20 118.90 2diu s ILE 76 Ca 0.31 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 59.82 2diu s ILE 76 Cb -0.20 -3.64 0.05 0.00 1.25 0.00 0.00 42.46 39.93 2diu s ILE 76 CO 0.20 -0.17 -0.11 -0.63 0.24 0.00 0.00 174.94 174.47 2diu s ILE 77 N -1.83 2.24 -0.20 8.37 1.01 -0.00 -4.33 121.20 126.46 2diu s ILE 77 Ca 0.33 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.33 2diu s ILE 77 Cb -0.10 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2diu s ILE 77 CO 0.27 0.02 0.19 -0.69 0.00 0.00 0.00 174.94 174.73 2diu s VAL 78 N 1.13 5.36 0.04 2.92 1.01 -1.26 0.45 120.40 130.06 2diu s VAL 78 Ca -0.07 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2diu s VAL 78 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2diu s VAL 78 CO -0.05 0.39 -0.06 -0.55 0.00 0.00 0.00 175.10 174.83 2diu s SER 79 N 0.63 0.65 0.22 3.32 0.15 0.96 -4.88 113.70 114.76 2diu s SER 79 Ca 0.10 -0.60 0.15 0.00 0.70 0.00 0.00 55.95 56.30 2diu s SER 79 Cb -0.12 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2diu s SER 79 CO 0.02 -0.29 1.29 -0.26 1.20 0.00 0.00 173.24 175.20 2diu h PHE 80 N 4.32 0.00 -2.66 3.44 -1.00 -1.87 0.30 116.94 119.48 2diu h PHE 80 Ca -0.34 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 59.86 2diu h PHE 80 Cb 1.20 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.66 2diu h PHE 80 CO 0.64 0.51 -0.62 0.95 -1.61 0.00 0.00 178.31 178.18 2diu s THR 81 N -2.96 3.91 0.62 -1.55 -4.23 -1.26 -4.76 115.64 105.40 2diu s THR 81 Ca 0.02 -1.43 -0.17 0.00 -1.18 0.00 0.00 61.69 58.93 2diu s THR 81 Cb 0.08 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 2diu s THR 81 CO 0.76 -0.18 1.12 -2.16 -0.54 0.00 0.00 174.62 173.62 2diu s PRO 82 N -3.19 3.00 -0.44 3.99 0.04 -1.26 -4.87 135.00 132.27 2diu s PRO 82 Ca 0.29 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 2diu s PRO 82 Cb -0.09 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.59 2diu s PRO 82 CO 0.20 -1.11 2.60 1.63 0.04 0.00 0.00 177.00 180.37 2diu n LYS 83 N -2.01 2.31 -1.11 4.56 4.76 -1.26 -4.46 118.16 120.95 2diu n LYS 83 Ca 0.11 -2.26 -0.16 0.00 -2.87 0.00 0.00 58.31 53.13 2diu n LYS 83 Cb 0.52 -2.05 0.16 0.00 -1.84 0.00 0.00 35.03 31.81 2diu n LYS 83 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2diu n ASN 84 N 0.70 3.70 0.00 4.39 5.15 -1.26 -4.37 115.26 123.57 2diu n ASN 84 Ca 0.46 -3.74 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 2diu n ASN 84 Cb 0.55 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 2diu n ASN 84 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2diu n ARG 85 N -1.07 1.62 -3.98 1.20 5.12 -1.26 -4.97 116.66 113.31 2diu n ARG 85 Ca 0.46 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 56.04 2diu n ARG 85 Cb 1.17 -0.98 -0.14 0.00 -1.16 0.00 0.00 32.46 31.35 2diu n ARG 85 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2diu s GLU 86 N -1.92 2.44 -0.05 5.56 8.01 -1.26 -4.99 118.70 126.48 2diu s GLU 86 Ca 0.00 -1.24 -0.20 0.00 0.01 0.00 0.00 54.97 53.54 2diu s GLU 86 Cb 0.00 -3.04 -0.15 0.00 -4.31 0.00 0.00 34.13 26.64 2diu s GLU 86 CO 0.00 -0.56 0.81 -0.07 0.01 0.00 0.00 175.26 175.45 2diu h LEU 87 N 7.92 -0.20 -3.79 1.80 3.38 -1.93 -3.34 115.31 119.16 2diu h LEU 87 Ca -0.23 -0.32 -0.51 0.00 0.09 0.00 0.00 57.88 56.91 2diu h LEU 87 Cb 1.06 0.05 -0.29 0.00 0.09 0.00 0.00 40.66 41.57 2diu h LEU 87 CO 0.52 0.35 0.16 0.00 0.09 0.00 0.00 178.44 179.55 2diu n GLU 89 N -0.93 -5.66 -1.71 0.00 4.07 -1.25 -4.80 120.64 110.36 2diu n GLU 89 Ca 0.51 0.62 -0.58 0.00 -0.06 0.00 0.00 57.16 57.65 2diu n GLU 89 Cb 0.95 -5.47 -0.07 0.00 -0.06 0.00 0.00 31.44 26.78 2diu n GLU 89 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2diu n THR 90 N -4.64 0.25 0.38 6.31 -1.04 -1.26 -4.80 114.28 109.47 2diu n THR 90 Ca -0.03 -0.05 0.13 0.00 -2.04 0.00 0.00 64.05 62.07 2diu n THR 90 Cb 0.56 -1.11 0.52 0.00 -1.82 0.00 0.00 70.33 68.49 2diu n THR 90 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2diu h SER 91 N 6.76 0.00 -6.74 8.00 4.64 -2.04 -3.47 113.55 120.70 2diu h SER 91 Ca -0.46 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.37 2diu h SER 91 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2diu h SER 91 CO 0.95 0.00 -1.10 0.61 -0.87 0.00 0.00 176.83 176.42 2diu n GLY 92 N -0.04 -1.26 3.60 -0.77 0.00 -1.26 -4.78 105.19 100.68 2diu n GLY 92 Ca 0.02 0.61 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.88 3.38 0.03 1.61 0.04 -1.26 -4.99 135.00 128.93 2diu s PRO 93 Ca 0.01 1.29 0.08 0.00 0.04 0.00 0.00 61.00 62.41 2diu s PRO 93 Cb -0.00 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 2diu s PRO 93 CO 0.88 -1.80 -0.23 0.45 0.04 0.00 0.00 177.00 176.34 2diu s SER 94 N 5.58 2.73 0.18 6.66 0.15 -1.26 -5.14 113.70 122.60 2diu s SER 94 Ca 0.75 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.95 2diu s SER 94 Cb -0.20 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2diu s SER 94 CO 0.33 0.23 0.09 -0.44 1.20 0.00 0.00 173.24 174.65 2diu s SER 95 N -1.00 5.26 0.00 5.45 0.01 -1.26 -5.31 113.70 116.86 2diu s SER 95 Ca 0.09 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2diu s SER 95 Cb -0.09 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2diu s SER 95 CO 0.01 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.34