#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu n SER 2 N 0.00 1.92 -4.68 1.61 3.41 -1.26 -4.91 113.62 109.71 2diu n SER 2 Ca 0.00 0.37 -0.45 0.00 -0.26 0.00 0.00 58.87 58.53 2diu n SER 2 Cb 0.00 -0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 62.98 2diu n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2diu n SER 3 N -4.24 3.10 -2.66 4.04 7.64 -1.26 -4.91 113.62 115.34 2diu n SER 3 Ca -0.33 1.10 -0.04 0.00 1.01 0.00 0.00 58.87 60.61 2diu n SER 3 Cb 0.76 -1.44 0.06 0.00 -1.01 0.00 0.00 64.21 62.58 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 3.06 -1.94 3.52 0.23 0.00 -1.26 -5.17 105.19 103.63 2diu n GLY 4 Ca 0.15 1.27 -0.09 0.00 0.00 0.00 0.00 46.02 47.35 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 0.43 -0.11 -0.17 1.61 1.04 -1.26 -5.04 113.70 110.20 2diu s SER 5 Ca 0.24 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 2diu s SER 5 Cb 0.18 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.88 2diu s SER 5 CO -0.09 -1.07 2.43 -1.54 0.98 0.00 0.00 173.24 173.95 2diu n SER 6 N -0.34 5.87 -3.66 7.02 3.41 -1.26 -4.74 113.62 119.92 2diu n SER 6 Ca -0.05 -2.76 -0.05 0.00 -0.26 0.00 0.00 58.87 55.75 2diu n SER 6 Cb 0.62 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.33 2diu n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2diu s GLY 7 N 1.16 -0.56 -0.62 5.00 0.00 -1.26 -5.03 107.32 106.00 2diu s GLY 7 Ca 0.31 2.00 -0.01 0.00 0.00 0.00 0.00 44.72 47.03 2diu s GLY 7 CO -0.03 2.66 1.90 0.00 0.00 0.00 0.00 173.10 177.62 2diu n HIS 9 N -0.86 -1.85 -3.87 0.00 -0.00 -1.26 -4.77 115.22 102.61 2diu n HIS 9 Ca 0.59 0.20 -0.30 0.00 -0.00 0.00 0.00 57.72 58.22 2diu n HIS 9 Cb 0.68 -1.73 -0.16 0.00 -0.00 0.00 0.00 29.99 28.78 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 -2.35 1.31 0.23 1.59 2.01 -0.33 -4.95 115.64 113.16 2diu s THR 10 Ca 0.55 -1.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 2diu s THR 10 Cb -0.20 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 2diu s THR 10 CO 0.69 -0.30 0.52 -0.76 -0.69 0.00 0.00 174.62 174.09 2diu s LEU 11 N 1.46 4.15 0.24 4.42 1.43 -1.26 -0.66 118.68 128.46 2diu s LEU 11 Ca 0.00 0.81 0.10 0.00 -1.03 0.00 0.00 54.13 54.01 2diu s LEU 11 Cb -0.18 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2diu s LEU 11 CO -0.11 -0.09 -0.07 -0.76 0.23 0.00 0.00 176.35 175.56 2diu s LEU 12 N -2.99 3.02 -0.23 1.79 1.43 0.23 -4.82 118.68 117.10 2diu s LEU 12 Ca 0.45 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2diu s LEU 12 Cb -0.11 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2diu s LEU 12 CO 0.24 0.05 -0.08 -0.31 0.23 0.00 0.00 176.35 176.48 2diu s TYR 13 N -2.12 2.59 0.11 0.29 2.02 -0.00 -1.25 117.35 118.98 2diu s TYR 13 Ca 0.29 -1.84 -0.08 0.00 -0.37 0.00 0.00 57.07 55.07 2diu s TYR 13 Cb -0.07 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.76 2diu s TYR 13 CO 0.17 -0.79 0.39 0.08 -1.57 0.00 0.00 175.55 173.84 2diu s VAL 14 N 1.33 5.12 0.24 0.71 1.01 0.11 -0.60 120.40 128.32 2diu s VAL 14 Ca -0.05 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2diu s VAL 14 Cb -0.18 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2diu s VAL 14 CO -0.06 0.18 0.20 -0.31 0.00 0.00 0.00 175.10 175.11 2diu s TYR 15 N -1.51 1.30 -1.14 5.22 1.51 0.17 -0.35 117.35 122.56 2diu s TYR 15 Ca 0.36 -1.44 -0.01 0.00 -1.01 0.00 0.00 57.07 54.97 2diu s TYR 15 Cb -0.13 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2diu s TYR 15 CO 0.20 -0.74 0.96 -1.71 -1.11 0.00 0.00 175.55 173.16 2diu n ASN 16 N -0.69 -2.97 -4.90 2.29 2.85 -0.39 -1.38 115.26 110.06 2diu n ASN 16 Ca 0.03 -0.62 -0.31 0.00 -0.11 0.00 0.00 54.58 53.57 2diu n ASN 16 Cb 0.65 -5.05 -0.04 0.00 1.24 0.00 0.00 39.78 36.57 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2diu s LEU 17 N -6.07 4.24 -0.98 1.20 1.43 -0.71 -4.39 118.68 113.40 2diu s LEU 17 Ca 0.09 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 2diu s LEU 17 Cb -0.01 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.83 2diu s LEU 17 CO 0.72 0.01 1.94 -2.16 0.23 0.00 0.00 176.35 177.09 2diu s PRO 18 N -2.84 2.54 0.27 1.29 0.04 -1.26 -4.73 135.00 130.30 2diu s PRO 18 Ca 0.41 -0.52 -0.00 0.00 0.04 0.00 0.00 61.00 60.93 2diu s PRO 18 Cb -0.12 -5.11 0.59 0.00 0.04 0.00 0.00 34.50 29.91 2diu s PRO 18 CO 0.26 -3.54 1.72 0.00 0.04 0.00 0.00 177.00 175.47 2diu h ALA 19 N 10.88 1.26 -0.67 8.56 0.00 -1.94 0.16 119.26 137.52 2diu h ALA 19 Ca 0.13 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2diu h ALA 19 Cb 0.99 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2diu h ALA 19 CO 1.21 -0.26 0.37 -0.91 0.00 0.00 0.00 179.25 179.66 2diu h ASN 20 N 0.44 0.54 -2.21 0.00 4.21 -2.01 -3.40 115.58 113.15 2diu h ASN 20 Ca 0.49 0.03 -0.58 0.00 1.21 0.00 0.00 56.30 57.45 2diu h ASN 20 Cb 0.84 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2diu h ASN 20 CO -0.47 0.35 1.40 -0.54 -1.29 0.00 0.00 177.43 176.88 2diu s LYS 21 N -6.09 3.36 -0.35 0.81 -0.14 0.04 -4.85 119.74 112.52 2diu s LYS 21 Ca -0.13 2.00 -0.44 0.00 -1.36 0.00 0.00 55.97 56.04 2diu s LYS 21 Cb 0.16 -4.29 -0.19 0.00 -1.68 0.00 0.00 37.83 31.83 2diu s LYS 21 CO 0.76 -1.84 1.53 -0.25 -0.76 0.00 0.00 175.35 174.78 2diu n ASP 22 N 10.64 1.23 -0.29 2.83 8.00 -1.26 -4.52 116.55 133.18 2diu n ASP 22 Ca 0.26 1.16 0.11 0.00 0.71 0.00 0.00 54.79 57.04 2diu n ASP 22 Cb 0.45 -0.94 0.22 0.00 -0.02 0.00 0.00 41.12 40.82 2diu n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2diu n GLY 23 N 3.55 -1.20 0.32 0.44 0.00 -1.26 0.43 105.19 107.47 2diu n GLY 23 Ca 0.28 0.84 0.00 0.00 0.00 0.00 0.00 46.02 47.14 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 -0.04 0.04 1.61 1.57 -2.01 0.80 116.57 118.54 2diu h LYS 24 Ca 0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2diu h LYS 24 Cb 0.96 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2diu h LYS 24 CO -0.81 -0.02 -0.02 1.03 -0.57 0.00 0.00 179.45 179.06 2diu h SER 25 N -0.04 -0.04 -0.18 0.86 0.87 -0.34 -3.10 113.55 111.58 2diu h SER 25 Ca 0.35 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2diu h SER 25 Cb 0.58 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 2diu h SER 25 CO -0.82 0.36 -0.28 0.58 -0.53 0.00 0.00 176.83 176.14 2diu h VAL 26 N -0.45 0.00 -0.16 2.23 2.07 -0.57 -2.01 116.25 117.36 2diu h VAL 26 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2diu h VAL 26 Cb 0.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2diu h VAL 26 CO 0.01 0.00 -0.12 -1.28 0.02 0.00 0.00 177.57 176.20 2diu h SER 27 N -0.22 -0.43 -0.78 0.57 0.87 -1.00 -0.90 113.55 111.66 2diu h SER 27 Ca 0.03 0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.76 2diu h SER 27 Cb 0.31 0.18 -0.12 0.00 -0.44 0.00 0.00 62.40 62.34 2diu h SER 27 CO -0.29 -0.06 -0.34 -3.20 -0.53 0.00 0.00 176.83 172.41 2diu n ASN 28 N -3.39 -0.59 -0.29 6.23 5.15 -1.10 0.19 115.26 121.46 2diu n ASN 28 Ca -0.00 1.36 0.09 0.00 -0.60 0.00 0.00 54.58 55.43 2diu n ASN 28 Cb 0.06 -0.27 0.25 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.41 -0.16 1.20 9.65 -0.43 -0.98 114.38 124.07 2diu h ARG 29 Ca 0.23 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.99 2diu h ARG 29 Cb 0.42 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2diu h ARG 29 CO -0.76 0.27 -0.28 -0.07 2.80 0.00 0.00 179.97 181.94 2diu h LEU 30 N 0.43 0.52 -0.97 3.80 4.07 0.27 -3.24 115.31 120.19 2diu h LEU 30 Ca 0.49 -0.54 0.21 0.00 0.08 0.00 0.00 57.88 58.12 2diu h LEU 30 Cb 0.85 -0.15 -0.18 0.00 1.08 0.00 0.00 40.66 42.26 2diu h LEU 30 CO -0.47 0.96 -0.17 0.03 -1.08 0.00 0.00 178.44 177.70 2diu h ARG 31 N 0.10 0.00 -0.35 1.13 3.08 0.87 0.55 114.38 119.77 2diu h ARG 31 Ca 0.01 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2diu h ARG 31 Cb 0.86 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2diu h ARG 31 CO 0.06 0.00 0.22 0.00 -1.07 0.00 0.00 179.97 179.18 2diu h ARG 32 N 0.00 0.43 0.00 0.04 2.47 -1.52 0.58 114.38 116.38 2diu h ARG 32 Ca 0.49 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.18 2diu h ARG 32 Cb 0.83 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2diu h ARG 32 CO -0.97 0.28 -0.06 -0.07 0.56 0.00 0.00 179.97 179.72 2diu h LEU 33 N 0.44 0.00 0.00 3.04 3.38 -0.06 -1.91 115.31 120.21 2diu h LEU 33 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2diu h LEU 33 Cb -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2diu h LEU 33 CO -0.05 0.06 -1.67 -0.24 0.09 0.00 0.00 178.44 176.63 2diu n SER 34 N -3.59 0.68 0.06 -0.43 2.88 0.21 -3.49 113.62 109.93 2diu n SER 34 Ca -0.02 0.30 -0.01 0.00 -1.33 0.00 0.00 58.87 57.81 2diu n SER 34 Cb 0.16 0.36 0.26 0.00 -0.75 0.00 0.00 64.21 64.24 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 0.35 0.95 -3.46 1.82 0.91 0.43 116.42 117.41 2diu h ASP 35 Ca -0.24 -0.11 -0.21 0.00 -0.39 0.00 0.00 57.03 56.08 2diu h ASP 35 Cb 1.74 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 41.63 2diu h ASP 35 CO 0.05 0.61 -1.10 -1.13 -1.61 0.00 0.00 179.24 176.06 2diu h ASN 36 N 0.32 0.00 -0.72 2.28 -0.73 -1.62 -3.27 115.58 111.84 2diu h ASN 36 Ca 0.05 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.94 2diu h ASN 36 Cb 0.62 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.04 2diu h ASN 36 CO 0.04 0.93 0.36 0.00 -0.37 0.00 0.00 177.43 178.39 2diu n GLY 38 N -0.38 -0.90 3.72 0.00 0.00 -0.85 -4.42 105.19 102.35 2diu n GLY 38 Ca 0.41 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 47.13 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 -2.54 0.69 -0.15 -0.02 0.00 0.14 -4.14 107.32 101.30 2diu s GLY 39 Ca 0.13 -0.97 -0.07 0.00 0.00 0.00 0.00 44.72 43.82 2diu s GLY 39 CO 0.86 -0.50 0.33 1.25 0.00 0.00 0.00 173.10 175.03 2diu s LYS 40 N -2.52 0.27 -0.65 2.90 2.36 0.07 -4.29 119.74 117.88 2diu s LYS 40 Ca 0.20 0.75 -0.26 0.00 -2.55 0.00 0.00 55.97 54.11 2diu s LYS 40 Cb -0.04 0.01 -0.03 0.00 -1.05 0.00 0.00 37.83 36.72 2diu s LYS 40 CO 0.14 -0.21 1.94 0.54 1.55 0.00 0.00 175.35 179.31 2diu s VAL 41 N 1.82 3.33 0.10 4.02 0.11 -1.26 0.17 120.40 128.69 2diu s VAL 41 Ca -0.06 0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 2diu s VAL 41 Cb -0.10 -3.84 -0.10 0.00 -1.53 0.00 0.00 36.38 30.80 2diu s VAL 41 CO -0.11 -0.81 1.65 -0.07 -3.33 0.00 0.00 175.10 172.43 2diu h LEU 42 N 17.09 -0.65 -7.86 2.54 3.38 -1.06 -3.47 115.31 125.28 2diu h LEU 42 Ca -0.20 0.07 0.10 0.00 0.09 0.00 0.00 57.88 57.94 2diu h LEU 42 Cb 1.14 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 2diu h LEU 42 CO 1.21 -0.34 0.30 -0.44 0.09 0.00 0.00 178.44 179.26 2diu s SER 43 N -4.80 -0.25 -0.24 -0.43 0.01 -1.06 -5.03 113.70 101.90 2diu s SER 43 Ca -0.16 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 56.54 2diu s SER 43 Cb 0.07 0.66 0.08 0.00 0.21 0.00 0.00 66.02 67.04 2diu s SER 43 CO 0.65 -1.21 0.09 -0.63 0.41 0.00 0.00 173.24 172.55 2diu s ILE 44 N -3.74 0.23 -0.10 1.44 1.01 -1.26 -1.04 121.20 117.74 2diu s ILE 44 Ca 0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 2diu s ILE 44 Cb -0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2diu s ILE 44 CO 0.05 -0.48 0.02 0.42 0.00 0.00 0.00 174.94 174.95 2diu s THR 45 N 1.97 4.46 0.00 2.92 -4.23 -0.37 -4.96 115.64 115.43 2diu s THR 45 Ca 0.05 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2diu s THR 45 Cb -0.16 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2diu s THR 45 CO -0.21 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2diu n GLY 46 N 2.31 1.29 0.94 3.99 0.00 -1.26 0.28 105.19 112.73 2diu n GLY 46 Ca -0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 0.06 1.56 0.14 0.00 1.04 0.14 -1.26 113.70 115.38 2diu s SER 48 Ca 0.11 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 2diu s SER 48 Cb 0.09 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2diu s SER 48 CO 0.03 -0.57 0.34 0.00 0.98 0.00 0.00 173.24 174.02 2diu s ALA 49 N -3.54 -0.48 -0.07 5.32 0.00 0.53 -1.24 121.76 122.28 2diu s ALA 49 Ca 0.29 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2diu s ALA 49 Cb 0.06 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2diu s ALA 49 CO 0.08 -0.64 -0.06 0.42 0.00 0.00 0.00 175.76 175.57 2diu s ILE 50 N -3.88 0.72 0.27 0.00 1.01 -0.21 0.04 121.20 119.16 2diu s ILE 50 Ca 0.09 -0.18 0.10 0.00 0.00 0.00 0.00 60.65 60.65 2diu s ILE 50 Cb 0.03 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2diu s ILE 50 CO -0.07 0.29 -0.00 -0.76 0.00 0.00 0.00 174.94 174.40 2diu s LEU 51 N 1.23 3.18 -0.12 2.97 1.02 -0.38 -0.44 118.68 126.14 2diu s LEU 51 Ca -0.05 -0.66 0.02 0.00 0.02 0.00 0.00 54.13 53.45 2diu s LEU 51 Cb -0.14 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.39 2diu s LEU 51 CO -0.02 -0.02 -0.17 -0.60 0.02 0.00 0.00 176.35 175.56 2diu s ARG 52 N -3.68 2.45 0.23 1.70 3.52 0.13 -0.60 118.95 122.69 2diu s ARG 52 Ca 0.32 -0.64 0.12 0.00 -0.13 0.00 0.00 55.73 55.39 2diu s ARG 52 Cb -0.06 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.23 2diu s ARG 52 CO 0.20 -0.06 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.35 2diu s PHE 53 N 0.97 2.27 0.05 5.12 0.40 0.16 -0.75 117.98 126.20 2diu s PHE 53 Ca -0.06 -0.35 -0.22 0.00 -0.60 0.00 0.00 56.93 55.70 2diu s PHE 53 Cb -0.15 -1.06 -0.13 0.00 0.51 0.00 0.00 43.02 42.18 2diu s PHE 53 CO -0.02 0.59 1.47 0.97 0.70 0.00 0.00 175.22 178.93 2diu h ILE 54 N 2.79 1.26 -4.68 0.64 2.10 -1.83 -0.86 117.51 116.93 2diu h ILE 54 Ca -0.43 -0.83 -0.35 0.00 1.08 0.00 0.00 64.86 64.33 2diu h ILE 54 Cb 1.23 1.57 -0.13 0.00 -1.09 0.00 0.00 36.82 38.39 2diu h ILE 54 CO 0.53 0.24 -0.51 0.54 -1.08 0.00 0.00 178.15 177.87 2diu s ASN 55 N -5.73 0.93 0.06 2.19 2.20 -1.26 -4.16 114.94 109.17 2diu s ASN 55 Ca -0.14 -1.56 -0.24 0.00 -0.94 0.00 0.00 52.86 49.98 2diu s ASN 55 Cb 0.05 0.49 -0.11 0.00 -2.00 0.00 0.00 41.25 39.68 2diu s ASN 55 CO 0.71 -0.99 1.37 -0.61 -2.94 0.00 0.00 177.10 174.64 2diu h GLN 56 N 2.34 -0.64 -0.14 3.55 4.15 -1.91 -2.40 115.11 120.07 2diu h GLN 56 Ca -0.30 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.18 2diu h GLN 56 Cb 1.24 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 2diu h GLN 56 CO 0.43 -0.43 -0.08 -3.47 -1.93 0.00 0.00 178.83 173.36 2diu n ASP 57 N -4.41 -0.14 -0.31 -0.69 -0.08 -1.26 0.13 116.55 109.79 2diu n ASP 57 Ca -0.08 0.82 0.16 0.00 -1.51 0.00 0.00 54.79 54.18 2diu n ASP 57 Cb 0.31 -0.32 0.34 0.00 2.34 0.00 0.00 41.12 43.79 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 0.12 -0.59 1.67 0.02 -1.84 0.40 113.55 113.33 2diu h SER 58 Ca 0.02 0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 2diu h SER 58 Cb 0.06 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2diu h SER 58 CO -0.13 -0.16 0.15 0.00 -1.14 0.00 0.00 176.83 175.55 2diu h ALA 59 N 1.81 0.78 0.08 3.77 0.00 0.16 -3.22 119.26 122.64 2diu h ALA 59 Ca 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2diu h ALA 59 Cb 1.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2diu h ALA 59 CO -0.65 0.48 -0.13 0.93 0.00 0.00 0.00 179.25 179.87 2diu h GLU 60 N 0.85 -0.21 -0.81 0.00 5.08 0.39 0.28 114.58 120.17 2diu h GLU 60 Ca 0.19 0.01 0.33 0.00 -1.00 0.00 0.00 59.36 58.90 2diu h GLU 60 Cb 0.34 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.49 2diu h GLU 60 CO 0.00 -0.14 0.42 0.54 -1.00 0.00 0.00 179.01 178.83 2diu n ARG 61 N -3.13 -0.05 0.03 2.33 1.74 -0.97 0.21 116.66 116.83 2diu n ARG 61 Ca -0.03 1.11 -0.19 0.00 -0.77 0.00 0.00 57.85 57.98 2diu n ARG 61 Cb 0.11 -1.99 -0.11 0.00 -1.02 0.00 0.00 32.46 29.44 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 1.61 0.09 -0.34 7.54 0.00 -1.37 0.05 119.26 126.84 2diu h ALA 62 Ca 0.68 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2diu h ALA 62 Cb 1.79 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2diu h ALA 62 CO -0.62 0.54 0.05 0.37 0.00 0.00 0.00 179.25 179.58 2diu h GLN 63 N 0.16 0.50 0.00 0.00 -0.00 0.62 0.42 115.11 116.81 2diu h GLN 63 Ca -0.11 -0.09 -0.16 0.00 -0.00 0.00 0.00 58.65 58.29 2diu h GLN 63 Cb 1.56 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.93 2diu h GLN 63 CO 0.17 0.50 -1.19 1.57 0.00 0.00 0.00 178.83 179.88 2diu h LYS 64 N 0.49 0.00 0.23 1.69 5.09 -0.48 -3.15 116.57 120.44 2diu h LYS 64 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.84 2diu h LYS 64 Cb 0.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.58 2diu h LYS 64 CO 0.00 0.37 -0.11 -0.09 -2.09 0.00 0.00 179.45 177.53 2diu h ARG 65 N 0.00 -0.30 0.22 0.07 9.65 -0.52 -3.29 114.38 120.20 2diu h ARG 65 Ca -0.12 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2diu h ARG 65 Cb 1.55 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 30.18 2diu h ARG 65 CO 0.05 -0.13 -0.25 0.52 2.80 0.00 0.00 179.97 182.97 2diu h MET 66 N -1.06 -0.49 -1.72 0.20 2.86 -1.12 0.38 114.93 113.98 2diu h MET 66 Ca -0.03 0.03 0.52 0.00 -2.06 0.00 0.00 59.70 58.16 2diu h MET 66 Cb 0.31 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 2diu h MET 66 CO 0.05 -0.33 1.21 -0.85 1.06 0.00 0.00 176.91 178.05 2diu n GLU 67 N -5.37 -0.01 -0.04 1.72 0.28 -1.19 0.24 120.64 116.27 2diu n GLU 67 Ca -0.08 1.09 0.04 0.00 -0.16 0.00 0.00 57.16 58.05 2diu n GLU 67 Cb 0.28 -2.39 -0.16 0.00 1.43 0.00 0.00 31.44 30.60 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 -4.08 0.29 -4.28 -1.84 4.13 -0.66 -4.54 115.26 104.28 2diu n ASN 68 Ca 0.42 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.39 2diu n ASN 68 Cb 1.81 1.64 0.23 0.00 -1.54 0.00 0.00 39.78 41.91 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 -3.13 -0.77 -0.42 3.52 2.56 0.65 -4.92 118.70 116.20 2diu s GLU 69 Ca -0.08 0.38 0.02 0.00 0.00 0.00 0.00 54.97 55.29 2diu s GLU 69 Cb 0.11 -1.61 0.14 0.00 2.00 0.00 0.00 34.13 34.77 2diu s GLU 69 CO 0.83 -3.51 0.25 -0.51 -0.56 0.00 0.00 175.26 171.77 2diu s ASP 70 N -3.30 3.19 0.22 -1.70 1.01 -1.26 -3.38 116.67 111.46 2diu s ASP 70 Ca 0.68 -2.57 -0.09 0.00 0.71 0.00 0.00 52.55 51.28 2diu s ASP 70 Cb -0.17 -0.76 0.34 0.00 1.01 0.00 0.00 42.92 43.34 2diu s ASP 70 CO 0.59 -0.26 1.30 0.55 0.21 0.00 0.00 175.17 177.56 2diu n VAL 71 N 3.57 -0.37 -3.15 -1.27 3.14 -1.15 -4.30 118.33 114.79 2diu n VAL 71 Ca 0.13 1.92 0.05 0.00 -2.96 0.00 0.00 64.34 63.48 2diu n VAL 71 Cb 0.37 -2.63 -0.01 0.00 -1.06 0.00 0.00 33.84 30.51 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 -5.99 -1.15 -0.29 1.45 0.08 -1.26 -4.93 117.98 105.88 2diu s PHE 72 Ca -0.12 0.93 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2diu s PHE 72 Cb 0.21 0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.96 2diu s PHE 72 CO 0.64 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 2diu n GLY 73 N 5.37 -0.10 3.60 4.36 0.00 -1.26 -4.83 105.19 112.34 2diu n GLY 73 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.62 -0.88 0.18 1.61 2.47 -1.26 -5.15 114.94 110.28 2diu s ASN 74 Ca 0.00 1.45 -0.30 0.00 0.42 0.00 0.00 52.86 54.43 2diu s ASN 74 Cb 0.00 1.34 -0.08 0.00 -1.45 0.00 0.00 41.25 41.06 2diu s ASN 74 CO 0.00 -0.24 1.11 -0.13 -3.72 0.00 0.00 177.10 174.13 2diu s ARG 75 N 1.46 4.58 0.16 0.43 3.00 -1.26 -2.96 118.95 124.36 2diu s ARG 75 Ca -0.09 1.74 0.05 0.00 0.00 0.00 0.00 55.73 57.43 2diu s ARG 75 Cb -0.05 -3.27 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 2diu s ARG 75 CO -0.17 0.05 0.15 0.96 0.00 0.00 0.00 175.30 176.29 2diu s ILE 76 N -0.20 4.56 -0.00 1.52 -4.36 -1.22 -4.86 121.20 116.63 2diu s ILE 76 Ca 0.50 -1.05 0.03 0.00 -0.26 0.00 0.00 60.65 59.86 2diu s ILE 76 Cb -0.30 -3.33 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 2diu s ILE 76 CO 0.35 -0.11 -0.06 -0.63 0.24 0.00 0.00 174.94 174.73 2diu s ILE 77 N -1.76 3.73 -0.08 8.37 1.01 -0.48 -3.79 121.20 128.21 2diu s ILE 77 Ca 0.31 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2diu s ILE 77 Cb -0.10 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2diu s ILE 77 CO 0.24 0.41 -0.09 -0.69 0.00 0.00 0.00 174.94 174.81 2diu s VAL 78 N -0.99 0.94 0.04 2.92 1.01 -1.26 0.46 120.40 123.51 2diu s VAL 78 Ca 0.17 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2diu s VAL 78 Cb -0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2diu s VAL 78 CO 0.07 0.33 -0.07 -0.55 0.00 0.00 0.00 175.10 174.88 2diu s SER 79 N 1.10 0.79 0.35 3.32 0.15 0.23 -4.90 113.70 114.73 2diu s SER 79 Ca -0.07 -0.54 0.18 0.00 0.70 0.00 0.00 55.95 56.22 2diu s SER 79 Cb -0.14 0.04 0.18 0.00 -1.71 0.00 0.00 66.02 64.39 2diu s SER 79 CO -0.01 -0.21 1.51 -0.26 1.20 0.00 0.00 173.24 175.47 2diu h PHE 80 N 4.52 0.00 -2.68 3.44 -1.00 -1.88 0.04 116.94 119.38 2diu h PHE 80 Ca -0.35 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 59.84 2diu h PHE 80 Cb 1.20 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.66 2diu h PHE 80 CO 0.65 0.30 -0.63 0.95 -1.61 0.00 0.00 178.31 177.96 2diu s THR 81 N -3.06 3.81 0.70 -1.55 -4.23 -1.26 -4.78 115.64 105.27 2diu s THR 81 Ca 0.05 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 58.95 2diu s THR 81 Cb 0.06 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.97 2diu s THR 81 CO 0.71 -0.18 1.10 -2.16 -0.54 0.00 0.00 174.62 173.56 2diu s PRO 82 N -3.17 2.59 -0.88 3.99 0.04 -1.26 -4.89 135.00 131.43 2diu s PRO 82 Ca 0.29 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 2diu s PRO 82 Cb -0.09 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.65 2diu s PRO 82 CO 0.20 -1.40 2.49 1.63 0.04 0.00 0.00 177.00 179.95 2diu n LYS 83 N -2.85 3.56 0.00 4.56 4.76 -1.26 -4.11 118.16 122.82 2diu n LYS 83 Ca 0.10 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.47 2diu n LYS 83 Cb 0.52 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 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 1.03 1.05 -3.55 4.39 5.15 -1.26 -5.07 115.26 117.00 2diu n ASN 84 Ca 0.55 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.42 2diu n ASN 84 Cb 0.38 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.53 2diu n ASN 84 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2diu s ARG 85 N -1.56 0.29 -0.16 1.20 0.52 -1.26 -5.15 118.95 112.83 2diu s ARG 85 Ca 0.00 0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 55.67 2diu s ARG 85 Cb 0.00 -0.10 0.14 0.00 0.52 0.00 0.00 34.95 35.51 2diu s ARG 85 CO 0.00 -0.41 1.08 -2.00 0.02 0.00 0.00 175.30 173.99 2diu s GLU 86 N 2.54 0.48 0.10 3.54 2.56 -1.26 -4.82 118.70 121.85 2diu s GLU 86 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 54.97 54.92 2diu s GLU 86 Cb -0.13 0.23 -0.06 0.00 2.00 0.00 0.00 34.13 36.16 2diu s GLU 86 CO -0.13 -0.18 0.41 -0.51 -0.56 0.00 0.00 175.26 174.30 2diu s LEU 87 N -1.52 4.32 -0.02 2.70 1.43 -1.26 -5.02 118.68 119.31 2diu s LEU 87 Ca 0.03 0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 53.60 2diu s LEU 87 Cb -0.01 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 2diu s LEU 87 CO -0.03 0.13 1.98 0.00 0.23 0.00 0.00 176.35 178.66 2diu n GLU 89 N 7.46 0.01 -4.31 0.00 4.07 -1.26 -4.99 120.64 121.61 2diu n GLU 89 Ca 0.22 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.00 2diu n GLU 89 Cb 0.38 -0.34 -0.09 0.00 -0.06 0.00 0.00 31.44 31.33 2diu n GLU 89 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2diu n THR 90 N -2.53 -1.06 -4.42 6.31 -2.24 -1.26 -4.93 114.28 104.16 2diu n THR 90 Ca -0.00 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 2diu n THR 90 Cb 0.01 -1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 67.05 2diu n THR 90 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2diu s SER 91 N -4.27 4.16 -0.62 3.42 1.04 -1.26 -5.09 113.70 111.08 2diu s SER 91 Ca 0.09 -0.39 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 2diu s SER 91 Cb -0.05 -0.76 0.16 0.00 0.10 0.00 0.00 66.02 65.47 2diu s SER 91 CO 0.99 0.22 0.54 -0.83 0.98 0.00 0.00 173.24 175.14 2diu s GLY 92 N -1.81 2.29 0.79 7.32 0.00 -1.26 -5.07 107.32 109.59 2diu s GLY 92 Ca 0.18 -2.85 -0.11 0.00 0.00 0.00 0.00 44.72 41.94 2diu s GLY 92 CO 0.09 1.19 1.09 2.56 0.00 0.00 0.00 173.10 178.03 2diu s PRO 93 N 0.93 2.10 0.29 2.90 0.04 -1.26 -5.06 135.00 134.94 2diu s PRO 93 Ca 0.10 1.12 0.07 0.00 0.04 0.00 0.00 61.00 62.32 2diu s PRO 93 Cb -0.22 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2diu s PRO 93 CO -0.02 -1.74 0.27 -1.12 0.04 0.00 0.00 177.00 174.43 2diu s SER 94 N -3.40 5.58 -0.30 6.66 0.01 -1.26 -5.12 113.70 115.87 2diu s SER 94 Ca 0.61 -0.29 -0.16 0.00 1.31 0.00 0.00 55.95 57.42 2diu s SER 94 Cb -0.17 -1.29 0.18 0.00 0.21 0.00 0.00 66.02 64.95 2diu s SER 94 CO 0.56 -0.19 1.13 -0.55 0.41 0.00 0.00 173.24 174.61 2diu s SER 95 N -3.94 -0.28 0.00 2.44 0.15 -1.26 -5.29 113.70 105.51 2diu s SER 95 Ca 0.37 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2diu s SER 95 Cb -0.07 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2diu s SER 95 CO 0.27 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.25