#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkb s GLU 4 N 2.87 3.34 -0.36 0.00 -1.05 -0.39 -1.90 118.70 121.22 2wkb s GLU 4 Ca 0.16 -0.70 -0.12 0.00 -0.15 0.00 0.00 54.97 54.16 2wkb s GLU 4 Cb -0.13 -2.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 2wkb s GLU 4 CO -0.21 0.16 0.22 -1.17 0.95 0.00 0.00 175.26 175.21 2wkb s LEU 5 N 0.49 4.60 -0.21 1.83 2.96 0.37 -0.74 118.68 127.98 2wkb s LEU 5 Ca -0.09 -0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 53.10 2wkb s LEU 5 Cb -0.16 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.45 2wkb s LEU 5 CO 0.04 -0.31 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.05 2wkb s ILE 6 N 1.64 3.00 0.02 6.68 1.01 0.27 -0.04 121.20 133.79 2wkb s ILE 6 Ca 0.04 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 2wkb s ILE 6 Cb -0.18 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 39.96 2wkb s ILE 6 CO 0.08 0.42 0.42 0.28 0.00 0.00 0.00 174.94 176.15 2wkb s THR 7 N 1.42 0.05 -1.53 2.92 -1.32 -0.85 -0.73 115.64 115.60 2wkb s THR 7 Ca 0.05 -0.40 0.17 0.00 -1.21 0.00 0.00 61.69 60.29 2wkb s THR 7 Cb -0.14 -0.86 0.59 0.00 -1.51 0.00 0.00 72.50 70.57 2wkb s THR 7 CO -0.06 -0.22 1.48 -0.46 -2.21 0.00 0.00 174.62 173.15 2wkb n ASN 8 N 0.77 3.78 -4.61 8.08 0.23 -0.97 -0.42 115.26 122.13 2wkb n ASN 8 Ca -0.19 -2.22 -0.39 0.00 -0.53 0.00 0.00 54.58 51.25 2wkb n ASN 8 Cb 0.58 -0.48 -0.09 0.00 -2.08 0.00 0.00 39.78 37.71 2wkb n ASN 8 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2wkb s ILE 9 N -1.55 5.22 -0.16 1.53 1.01 -1.26 -4.75 121.20 121.25 2wkb s ILE 9 Ca 0.43 0.45 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 2wkb s ILE 9 Cb 0.25 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 2wkb s ILE 9 CO 0.24 0.20 0.80 -0.55 0.00 0.00 0.00 174.94 175.63 2wkb s SER 10 N 1.57 6.94 0.09 3.58 0.15 -1.26 -4.94 113.70 119.84 2wkb s SER 10 Ca 0.13 1.15 0.03 0.00 0.70 0.00 0.00 55.95 57.96 2wkb s SER 10 Cb -0.16 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2wkb s SER 10 CO 0.10 -0.35 -0.09 0.27 1.20 0.00 0.00 173.24 174.36 2wkb s ILE 11 N 1.96 0.87 0.71 6.45 -4.36 -1.26 -5.15 121.20 120.42 2wkb s ILE 11 Ca 0.38 -1.65 -0.14 0.00 -0.26 0.00 0.00 60.65 58.98 2wkb s ILE 11 Cb -0.17 -1.36 0.03 0.00 1.25 0.00 0.00 42.46 42.21 2wkb s ILE 11 CO 0.13 -0.60 1.12 -2.84 0.24 0.00 0.00 174.94 172.99 2wkb s PRO 12 N -2.89 2.49 0.26 0.37 0.02 -1.26 -4.74 135.00 129.25 2wkb s PRO 12 Ca 0.05 1.41 -0.02 0.00 0.02 0.00 0.00 61.00 62.46 2wkb s PRO 12 Cb -0.02 -1.91 0.53 0.00 0.02 0.00 0.00 34.50 33.12 2wkb s PRO 12 CO -0.01 -1.50 1.72 -0.44 -0.33 0.00 0.00 177.00 176.44 2wkb h ASP 13 N -0.37 0.26 -0.58 2.53 3.32 -2.01 -1.30 116.42 118.27 2wkb h ASP 13 Ca -0.46 0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.74 2wkb h ASP 13 Cb 1.25 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 2wkb h ASP 13 CO 0.52 0.06 0.36 -2.24 -1.72 0.00 0.00 179.24 176.22 2wkb h ASP 14 N 0.42 0.58 -0.11 6.45 2.03 -2.00 -0.36 116.42 123.43 2wkb h ASP 14 Ca 0.45 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.64 2wkb h ASP 14 Cb 0.75 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.11 2wkb h ASP 14 CO -0.45 0.41 -0.29 0.50 -1.03 0.00 0.00 179.24 178.37 2wkb h LYS 15 N 0.70 0.58 -0.46 4.15 3.64 -1.66 -2.05 116.57 121.47 2wkb h LYS 15 Ca 0.23 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2wkb h LYS 15 Cb 0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2wkb h LYS 15 CO -0.10 0.81 0.17 0.00 -2.27 0.00 0.00 179.45 178.07 2wkb h ALA 16 N 1.18 0.60 -0.56 5.00 0.00 -0.65 0.06 119.26 124.89 2wkb h ALA 16 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wkb h ALA 16 Cb 0.76 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2wkb h ALA 16 CO 0.06 0.21 0.30 1.96 0.00 0.00 0.00 179.25 181.78 2wkb h GLN 17 N 0.60 0.78 -0.66 0.00 1.08 -0.87 -0.95 115.11 115.10 2wkb h GLN 17 Ca 0.15 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 2wkb h GLN 17 Cb 0.21 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 2wkb h GLN 17 CO -0.01 0.61 0.37 -0.91 -0.95 0.00 0.00 178.83 177.94 2wkb h ASN 18 N 0.75 0.55 -0.27 1.46 2.35 -1.16 0.95 115.58 120.21 2wkb h ASN 18 Ca 0.20 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2wkb h ASN 18 Cb 0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2wkb h ASN 18 CO -0.03 0.36 0.14 0.74 -1.65 0.00 0.00 177.43 176.99 2wkb h THR 19 N 0.69 1.14 -0.51 2.81 2.02 -0.62 -1.52 112.91 116.91 2wkb h THR 19 Ca 0.29 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2wkb h THR 19 Cb 0.16 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2wkb h THR 19 CO -0.17 0.14 -0.02 -0.07 0.37 0.00 0.00 175.52 175.76 2wkb h LEU 20 N 0.31 0.86 -0.25 2.58 3.38 -0.92 -1.32 115.31 119.96 2wkb h LEU 20 Ca 0.09 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2wkb h LEU 20 Cb 0.10 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2wkb h LEU 20 CO -0.01 0.94 -0.13 0.28 0.09 0.00 0.00 178.44 179.61 2wkb h SER 21 N 0.81 -0.43 -0.55 -0.43 0.02 -0.66 -0.53 113.55 111.79 2wkb h SER 21 Ca 0.15 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 2wkb h SER 21 Cb 0.52 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2wkb h SER 21 CO 0.03 -0.16 0.05 -0.33 -1.14 0.00 0.00 176.83 175.28 2wkb h GLU 22 N -0.10 0.98 -0.50 3.45 5.08 -1.05 -1.15 114.58 121.28 2wkb h GLU 22 Ca 0.13 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2wkb h GLU 22 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2wkb h GLU 22 CO -0.31 0.93 0.25 0.82 -1.00 0.00 0.00 179.01 179.70 2wkb h ILE 23 N 0.91 1.19 -0.54 3.13 2.04 -0.95 -1.50 117.51 121.79 2wkb h ILE 23 Ca 0.18 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2wkb h ILE 23 Cb 0.46 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2wkb h ILE 23 CO 0.02 0.21 0.18 -0.33 0.00 0.00 0.00 178.15 178.23 2wkb h GLU 24 N 0.67 0.80 -0.49 2.37 5.08 -0.60 -0.89 114.58 121.52 2wkb h GLU 24 Ca 0.17 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2wkb h GLU 24 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2wkb h GLU 24 CO -0.02 0.68 0.22 -0.44 -1.00 0.00 0.00 179.01 178.45 2wkb h ASP 25 N 0.78 0.66 -1.00 1.42 3.32 -1.06 -1.04 116.42 119.50 2wkb h ASP 25 Ca 0.18 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wkb h ASP 25 Cb 0.21 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 2wkb h ASP 25 CO -0.01 0.63 0.66 0.00 -1.72 0.00 0.00 179.24 178.80 2wkb h ALA 26 N 1.06 1.27 0.40 3.45 0.00 -0.72 0.68 119.26 125.40 2wkb h ALA 26 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wkb h ALA 26 Cb 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wkb h ALA 26 CO -0.02 0.66 -0.19 0.82 0.00 0.00 0.00 179.25 180.52 2wkb h ILE 27 N 1.35 0.60 -0.34 0.00 2.04 -0.84 0.27 117.51 120.60 2wkb h ILE 27 Ca 0.37 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2wkb h ILE 27 Cb -0.16 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2wkb h ILE 27 CO -0.08 0.05 0.10 -1.28 0.00 0.00 0.00 178.15 176.95 2wkb h SER 28 N -0.70 0.09 -0.10 1.72 0.87 -0.84 -1.25 113.55 113.35 2wkb h SER 28 Ca -0.06 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2wkb h SER 28 Cb 0.50 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2wkb h SER 28 CO 0.09 0.09 -0.10 0.78 -0.53 0.00 0.00 176.83 177.16 2wkb h ASN 29 N 0.24 0.25 -0.03 6.23 2.35 0.47 0.14 115.58 125.23 2wkb h ASN 29 Ca 0.15 -0.49 -0.10 0.00 -0.55 0.00 0.00 56.30 55.31 2wkb h ASN 29 Cb 0.14 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.45 2wkb h ASN 29 CO -0.17 0.69 -0.39 0.40 -1.65 0.00 0.00 177.43 176.31 2wkb h ILE 30 N -0.18 1.46 -0.01 2.81 2.04 -0.99 -3.24 117.51 119.40 2wkb h ILE 30 Ca 0.01 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2wkb h ILE 30 Cb 0.62 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2wkb h ILE 30 CO 0.02 0.54 -0.21 0.18 0.00 0.00 0.00 178.15 178.68 2wkb n LEU 31 N -4.38 0.77 0.00 1.44 4.77 -0.47 -4.92 117.00 114.21 2wkb n LEU 31 Ca -0.09 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2wkb n LEU 31 Cb 0.55 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2wkb n LEU 31 CO 0.43 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2wkb n GLY 32 N 1.33 1.99 3.72 -0.72 0.00 0.46 -5.00 105.19 106.97 2wkb n GLY 32 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2wkb n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkb s LYS 33 N -0.64 2.49 0.42 1.61 -0.14 -0.99 -4.88 119.74 117.62 2wkb s LYS 33 Ca 0.00 -1.35 -0.23 0.00 -1.36 0.00 0.00 55.97 53.03 2wkb s LYS 33 Cb 0.00 -2.28 -0.11 0.00 -1.68 0.00 0.00 37.83 33.75 2wkb s LYS 33 CO 0.00 0.30 0.79 -2.30 -0.76 0.00 0.00 175.35 173.38 2wkb n PRO 34 N -1.05 0.94 -2.44 -1.68 -0.02 -1.26 -4.41 135.00 125.08 2wkb n PRO 34 Ca -0.06 0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 61.53 2wkb n PRO 34 Cb 0.59 -1.78 0.01 0.00 -0.02 0.00 0.00 33.50 32.30 2wkb n PRO 34 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2wkb n VAL 35 N -0.71 2.18 0.25 -1.45 0.24 -1.26 -4.89 118.33 112.68 2wkb n VAL 35 Ca 0.11 -4.51 0.07 0.00 -2.04 0.00 0.00 64.34 57.97 2wkb n VAL 35 Cb 0.39 -0.91 0.60 0.00 -1.47 0.00 0.00 33.84 32.45 2wkb n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wkb h ALA 36 N 2.58 1.78 -0.05 2.33 0.00 -2.03 -2.98 119.26 120.89 2wkb h ALA 36 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wkb h ALA 36 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wkb h ALA 36 CO 0.77 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.80 2wkb n TYR 37 N -4.33 0.03 -2.20 0.00 4.02 -1.26 -5.01 117.16 108.40 2wkb n TYR 37 Ca -0.03 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 2wkb n TYR 37 Cb 0.17 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 2wkb n TYR 37 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 2wkb s ILE 38 N -1.92 3.32 0.06 -0.72 2.07 -1.13 -4.28 121.20 118.60 2wkb s ILE 38 Ca 0.28 0.98 -0.07 0.00 -1.41 0.00 0.00 60.65 60.43 2wkb s ILE 38 Cb 0.20 -3.63 -0.05 0.00 0.13 0.00 0.00 42.46 39.11 2wkb s ILE 38 CO 0.29 0.09 0.33 -0.04 -1.91 0.00 0.00 174.94 173.70 2wkb s MET 39 N 0.78 3.63 0.14 3.50 -1.94 0.12 -5.02 119.30 120.52 2wkb s MET 39 Ca 0.62 -0.03 0.01 0.00 -1.71 0.00 0.00 55.69 54.58 2wkb s MET 39 Cb -0.36 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 2wkb s MET 39 CO 0.32 0.58 0.00 -1.54 -0.01 0.00 0.00 175.02 174.38 2wkb s SER 40 N -1.93 0.92 -0.10 3.03 1.04 -1.26 -0.81 113.70 114.60 2wkb s SER 40 Ca 0.33 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.31 2wkb s SER 40 Cb -0.13 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.24 2wkb s SER 40 CO 0.19 -0.60 0.77 0.21 0.98 0.00 0.00 173.24 174.79 2wkb s ASN 41 N -3.10 -0.59 -0.39 7.02 2.47 -0.80 -4.97 114.94 114.58 2wkb s ASN 41 Ca 0.21 0.69 0.02 0.00 0.42 0.00 0.00 52.86 54.20 2wkb s ASN 41 Cb 0.06 0.55 0.11 0.00 -1.45 0.00 0.00 41.25 40.52 2wkb s ASN 41 CO 0.01 -0.51 0.13 -0.47 -3.72 0.00 0.00 177.10 172.54 2wkb s TYR 42 N -1.04 3.66 -0.44 0.43 5.04 -1.26 -0.48 117.35 123.26 2wkb s TYR 42 Ca -0.08 -2.83 -0.14 0.00 -2.44 0.00 0.00 57.07 51.58 2wkb s TYR 42 Cb -0.01 -3.02 0.06 0.00 0.35 0.00 0.00 41.96 39.34 2wkb s TYR 42 CO 0.07 -0.94 0.34 0.34 -1.34 0.00 0.00 175.55 174.02 2wkb s ASP 43 N 1.09 6.04 -0.23 4.32 -1.08 0.95 -5.00 116.67 122.74 2wkb s ASP 43 Ca 0.11 -1.22 -0.28 0.00 -0.52 0.00 0.00 52.55 50.64 2wkb s ASP 43 Cb -0.21 -2.14 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2wkb s ASP 43 CO -0.06 -0.56 0.99 -0.47 0.52 0.00 0.00 175.17 175.59 2wkb s TYR 44 N 1.61 3.33 -0.39 -5.34 5.04 -1.26 -2.00 117.35 118.34 2wkb s TYR 44 Ca 0.04 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 56.06 2wkb s TYR 44 Cb -0.22 -3.23 0.13 0.00 0.35 0.00 0.00 41.96 38.99 2wkb s TYR 44 CO 0.07 -0.47 0.21 -0.65 -1.34 0.00 0.00 175.55 173.37 2wkb s GLN 45 N 3.13 0.96 0.45 4.97 -1.52 0.44 -4.95 119.66 123.14 2wkb s GLN 45 Ca 0.42 -1.64 0.13 0.00 -1.95 0.00 0.00 55.36 52.31 2wkb s GLN 45 Cb -0.15 -1.94 1.02 0.00 -0.22 0.00 0.00 33.01 31.71 2wkb s GLN 45 CO 0.06 -1.15 2.04 -0.22 -0.25 0.00 0.00 175.29 175.77 2wkb h LYS 46 N 7.03 0.14 -0.11 2.91 3.64 -1.86 -1.99 116.57 126.33 2wkb h LYS 46 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wkb h LYS 46 Cb 0.95 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2wkb h LYS 46 CO 0.41 0.19 0.00 0.09 -2.27 0.00 0.00 179.45 177.88 2wkb n ASN 47 N -4.41 1.83 -4.76 4.20 3.02 -1.26 -4.86 115.26 109.03 2wkb n ASN 47 Ca -0.01 -1.67 -0.41 0.00 -0.03 0.00 0.00 54.58 52.45 2wkb n ASN 47 Cb 0.17 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2wkb n ASN 47 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wkb s LEU 48 N -1.76 4.34 0.11 3.41 2.96 -0.75 -4.96 118.68 122.03 2wkb s LEU 48 Ca 0.35 2.94 0.07 0.00 -0.22 0.00 0.00 54.13 57.27 2wkb s LEU 48 Cb 0.19 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 2wkb s LEU 48 CO 0.30 -0.88 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.15 2wkb s ARG 49 N -0.88 1.02 -0.07 1.98 0.52 -1.26 -4.51 118.95 115.75 2wkb s ARG 49 Ca 0.60 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 54.62 2wkb s ARG 49 Cb -0.47 -1.08 0.04 0.00 0.52 0.00 0.00 34.95 33.96 2wkb s ARG 49 CO 0.51 0.23 0.17 0.12 0.02 0.00 0.00 175.30 176.36 2wkb s PHE 50 N -1.58 -0.21 -1.42 -0.53 5.36 -0.49 -4.87 117.98 114.25 2wkb s PHE 50 Ca 0.06 0.55 -0.08 0.00 -0.96 0.00 0.00 56.93 56.50 2wkb s PHE 50 Cb -0.08 -0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.61 2wkb s PHE 50 CO 0.04 -0.17 0.58 0.43 -1.46 0.00 0.00 175.22 174.64 2wkb n SER 51 N 4.03 -4.87 0.00 6.13 7.64 -1.26 -2.04 113.62 123.25 2wkb n SER 51 Ca -0.24 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2wkb n SER 51 Cb 0.53 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.76 2wkb n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wkb n GLY 52 N -1.37 0.58 2.91 0.23 0.00 -1.26 -5.03 105.19 101.25 2wkb n GLY 52 Ca -0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 2wkb n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wkb s SER 53 N -2.29 0.37 -0.13 1.61 0.15 -0.87 -5.01 113.70 107.54 2wkb s SER 53 Ca 0.00 -0.05 0.15 0.00 0.70 0.00 0.00 55.95 56.74 2wkb s SER 53 Cb 0.00 -0.07 0.65 0.00 -1.71 0.00 0.00 66.02 64.89 2wkb s SER 53 CO 0.00 0.02 1.53 -3.20 1.20 0.00 0.00 173.24 172.79 2wkb n ASN 54 N 3.15 4.44 -4.71 5.45 5.15 -1.26 -1.39 115.26 126.07 2wkb n ASN 54 Ca -0.14 -2.50 -0.30 0.00 -0.60 0.00 0.00 54.58 51.04 2wkb n ASN 54 Cb 0.58 -0.57 0.13 0.00 -0.53 0.00 0.00 39.78 39.39 2wkb n ASN 54 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wkb s GLU 55 N -2.00 1.47 -0.06 1.20 0.41 -1.26 -4.86 118.70 113.60 2wkb s GLU 55 Ca 0.45 1.10 -0.37 0.00 -0.41 0.00 0.00 54.97 55.75 2wkb s GLU 55 Cb 0.31 -1.81 -0.18 0.00 -1.78 0.00 0.00 34.13 30.67 2wkb s GLU 55 CO 0.19 -2.18 1.02 0.41 -0.49 0.00 0.00 175.26 174.22 2wkb n GLY 56 N -0.78 -0.19 3.62 -1.39 0.00 -1.26 -4.87 105.19 100.31 2wkb n GLY 56 Ca 0.08 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.67 2wkb n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wkb s TYR 57 N 0.36 -0.78 -0.13 1.61 5.04 -1.26 -4.81 117.35 117.38 2wkb s TYR 57 Ca 0.83 1.90 0.01 0.00 -2.44 0.00 0.00 57.07 57.37 2wkb s TYR 57 Cb -1.16 0.27 0.02 0.00 0.35 0.00 0.00 41.96 41.44 2wkb s TYR 57 CO 0.54 -0.38 -0.13 0.00 -1.34 0.00 0.00 175.55 174.24 2wkb s PHE 59 N 1.36 2.99 -0.23 0.00 5.36 0.09 -1.63 117.98 125.93 2wkb s PHE 59 Ca 0.01 -0.52 -0.03 0.00 -0.96 0.00 0.00 56.93 55.43 2wkb s PHE 59 Cb -0.13 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 2wkb s PHE 59 CO -0.07 -0.23 -0.06 0.08 -1.46 0.00 0.00 175.22 173.48 2wkb s VAL 60 N 0.81 3.10 -0.18 3.12 1.01 -0.26 -0.56 120.40 127.44 2wkb s VAL 60 Ca -0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2wkb s VAL 60 Cb -0.15 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2wkb s VAL 60 CO 0.02 0.37 -0.06 -0.60 0.00 0.00 0.00 175.10 174.83 2wkb s ARG 61 N 1.42 3.47 -0.28 2.72 3.52 0.08 -0.56 118.95 129.32 2wkb s ARG 61 Ca 0.04 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2wkb s ARG 61 Cb -0.15 -2.90 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 2wkb s ARG 61 CO -0.05 0.03 -0.00 -0.51 -0.81 0.00 0.00 175.30 173.95 2wkb s LEU 62 N 0.90 3.61 -0.30 -0.88 1.43 0.32 -1.26 118.68 122.51 2wkb s LEU 62 Ca -0.01 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.04 2wkb s LEU 62 Cb -0.15 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2wkb s LEU 62 CO 0.01 -0.19 0.07 -0.89 0.23 0.00 0.00 176.35 175.58 2wkb s THR 63 N 1.34 3.87 -0.92 5.49 2.01 -1.26 -0.69 115.64 125.48 2wkb s THR 63 Ca -0.01 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 2wkb s THR 63 Cb -0.18 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2wkb s THR 63 CO -0.02 0.06 0.79 -1.20 -0.69 0.00 0.00 174.62 173.57 2wkb n SER 64 N 4.85 -4.11 0.01 3.53 7.64 -0.22 -4.46 113.62 120.85 2wkb n SER 64 Ca -0.14 -0.40 -0.03 0.00 1.01 0.00 0.00 58.87 59.31 2wkb n SER 64 Cb 0.48 -3.71 -0.01 0.00 -1.01 0.00 0.00 64.21 59.95 2wkb n SER 64 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2wkb n ILE 65 N -3.93 1.32 0.00 0.44 2.08 -1.26 -4.75 119.36 113.26 2wkb n ILE 65 Ca -0.06 0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.57 2wkb n ILE 65 Cb 0.57 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 2wkb n ILE 65 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2wkb n SER 71 N -3.80 0.00 -0.93 4.38 2.88 -1.26 -5.09 113.62 109.80 2wkb n SER 71 Ca -0.04 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.54 2wkb n SER 71 Cb 0.17 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.81 2wkb n SER 71 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wkb n ASN 72 N 0.00 2.65 0.08 -3.46 3.02 -1.26 -4.06 115.26 112.23 2wkb n ASN 72 Ca 0.00 -2.22 0.02 0.00 -0.03 0.00 0.00 54.58 52.34 2wkb n ASN 72 Cb 0.00 -0.41 0.36 0.00 -0.61 0.00 0.00 39.78 39.12 2wkb n ASN 72 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2wkb h ASN 73 N 2.08 0.32 0.45 6.41 2.35 -1.99 0.10 115.58 125.30 2wkb h ASN 73 Ca 0.00 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.48 2wkb h ASN 73 Cb 0.86 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2wkb h ASN 73 CO 0.12 0.44 -0.88 -1.28 -1.65 0.00 0.00 177.43 174.18 2wkb h SER 74 N 0.33 0.39 -0.48 5.81 0.87 -2.00 -1.30 113.55 117.17 2wkb h SER 74 Ca 0.07 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2wkb h SER 74 Cb 0.34 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2wkb h SER 74 CO 0.02 1.09 0.30 -0.07 -0.53 0.00 0.00 176.83 177.64 2wkb h LEU 75 N 0.17 0.56 -0.85 2.23 4.07 -1.60 -1.50 115.31 118.39 2wkb h LEU 75 Ca -0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 2wkb h LEU 75 Cb 1.51 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 43.06 2wkb h LEU 75 CO 0.14 0.43 0.47 0.25 -1.08 0.00 0.00 178.44 178.65 2wkb h LEU 76 N 0.64 1.05 -1.22 1.67 5.85 -0.83 -1.90 115.31 120.57 2wkb h LEU 76 Ca 0.17 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2wkb h LEU 76 Cb -0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2wkb h LEU 76 CO -0.04 0.85 0.15 0.00 -0.34 0.00 0.00 178.44 179.06 2wkb h ALA 77 N 1.25 1.38 -0.26 1.25 0.00 -1.03 -0.76 119.26 121.09 2wkb h ALA 77 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2wkb h ALA 77 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wkb h ALA 77 CO -0.05 0.46 0.02 0.22 0.00 0.00 0.00 179.25 179.89 2wkb h ASP 78 N 0.68 0.44 -0.45 0.00 1.82 -0.96 -1.20 116.42 116.76 2wkb h ASP 78 Ca 0.16 -0.29 -0.05 0.00 -0.39 0.00 0.00 57.03 56.46 2wkb h ASP 78 Cb 0.20 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2wkb h ASP 78 CO -0.01 0.62 0.09 0.50 -1.61 0.00 0.00 179.24 178.83 2wkb h LYS 79 N 0.24 0.73 -0.70 0.28 1.63 -0.82 -1.98 116.57 115.95 2wkb h LYS 79 Ca 0.08 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 2wkb h LYS 79 Cb 0.39 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 2wkb h LYS 79 CO 0.01 0.74 0.35 0.82 -3.45 0.00 0.00 179.45 177.92 2wkb h ILE 80 N 0.60 1.23 -0.85 2.00 2.04 -1.09 -0.30 117.51 121.13 2wkb h ILE 80 Ca 0.14 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.40 2wkb h ILE 80 Cb 0.35 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2wkb h ILE 80 CO 0.01 0.26 0.57 0.74 0.00 0.00 0.00 178.15 179.72 2wkb h THR 81 N 0.97 1.20 -0.10 -0.27 2.02 -0.97 0.09 112.91 115.84 2wkb h THR 81 Ca 0.24 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2wkb h THR 81 Cb 0.09 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2wkb h THR 81 CO -0.03 0.21 -0.01 0.11 0.37 0.00 0.00 175.52 176.16 2wkb h LYS 82 N 1.14 0.19 -0.39 6.66 1.79 -0.56 -1.26 116.57 124.14 2wkb h LYS 82 Ca 0.32 -0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.80 2wkb h LYS 82 Cb -0.10 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.45 2wkb h LYS 82 CO -0.07 0.47 -0.15 0.82 -1.08 0.00 0.00 179.45 179.43 2wkb h ILE 83 N -0.11 0.49 -0.45 1.86 2.04 -0.72 -1.61 117.51 119.02 2wkb h ILE 83 Ca 0.03 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.76 2wkb h ILE 83 Cb 0.39 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2wkb h ILE 83 CO 0.01 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.85 2wkb h LEU 84 N -0.08 0.99 -1.15 1.44 3.38 -0.87 -1.37 115.31 117.65 2wkb h LEU 84 Ca 0.19 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2wkb h LEU 84 Cb 0.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2wkb h LEU 84 CO -0.45 1.18 0.37 0.77 0.09 0.00 0.00 178.44 180.41 2wkb h SER 85 N 0.80 0.86 0.42 -0.43 4.64 -1.06 0.75 113.55 119.53 2wkb h SER 85 Ca 0.10 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2wkb h SER 85 Cb 0.82 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2wkb h SER 85 CO 0.07 0.70 -0.20 -1.13 -0.87 0.00 0.00 176.83 175.39 2wkb h ASN 86 N 0.97 -0.48 0.50 4.97 -0.00 -1.16 -2.17 115.58 118.22 2wkb h ASN 86 Ca 0.25 0.02 -0.17 0.00 -0.00 0.00 0.00 56.30 56.39 2wkb h ASN 86 Cb 0.03 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.47 2wkb h ASN 86 CO -0.04 -0.30 -0.75 0.45 -0.00 0.00 0.00 177.43 176.79 2wkb h HIS 87 N -0.66 0.27 0.00 0.67 3.86 -1.22 -3.29 115.15 114.78 2wkb h HIS 87 Ca -0.06 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2wkb h HIS 87 Cb 0.44 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2wkb h HIS 87 CO 0.09 0.87 -0.82 1.28 0.86 0.00 0.00 177.93 180.22 2wkb n LEU 88 N -3.75 0.56 -3.79 2.43 4.32 0.24 -5.01 117.00 111.99 2wkb n LEU 88 Ca -0.03 -0.42 -0.28 0.00 -0.02 0.00 0.00 56.01 55.26 2wkb n LEU 88 Cb 0.72 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.57 2wkb n LEU 88 CO 0.46 0.14 0.16 -1.20 -1.22 0.00 0.00 177.39 175.73 2wkb n SER 89 N -1.44 -5.27 -4.85 -1.43 7.64 -0.81 -4.99 113.62 102.47 2wkb n SER 89 Ca 0.02 -0.69 -0.36 0.00 1.01 0.00 0.00 58.87 58.85 2wkb n SER 89 Cb 0.24 -4.33 -0.06 0.00 -1.01 0.00 0.00 64.21 59.05 2wkb n SER 89 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wkb s VAL 90 N -3.32 5.03 0.25 0.44 0.11 -1.25 -5.02 120.40 116.63 2wkb s VAL 90 Ca 0.61 0.67 -0.31 0.00 -2.93 0.00 0.00 61.98 60.01 2wkb s VAL 90 Cb -0.29 -3.69 -0.13 0.00 -1.53 0.00 0.00 36.38 30.74 2wkb s VAL 90 CO 0.79 0.39 1.52 0.29 -3.33 0.00 0.00 175.10 174.77 2wkb n LYS 91 N 1.24 2.35 0.02 1.54 5.02 -1.26 -4.44 118.16 122.62 2wkb n LYS 91 Ca -0.10 0.84 0.18 0.00 -2.02 0.00 0.00 58.31 57.21 2wkb n LYS 91 Cb 0.52 -2.57 0.67 0.00 -0.02 0.00 0.00 35.03 33.63 2wkb n LYS 91 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2wkb h PRO 92 N 4.84 0.03 0.00 1.97 0.11 -1.95 -0.09 132.00 136.92 2wkb h PRO 92 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wkb h PRO 92 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wkb h PRO 92 CO 0.80 0.02 0.00 2.89 -0.21 0.00 0.00 178.00 181.50 2wkb n ARG 93 N -4.40 0.37 -0.96 1.05 1.85 -1.26 -1.89 116.66 111.42 2wkb n ARG 93 Ca 0.08 0.06 -0.07 0.00 -1.00 0.00 0.00 57.85 56.92 2wkb n ARG 93 Cb 0.54 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.62 2wkb n ARG 93 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wkb n ARG 94 N -1.26 2.05 -4.64 2.89 5.12 -0.05 -4.91 116.66 115.86 2wkb n ARG 94 Ca 0.12 -3.34 -0.32 0.00 -1.93 0.00 0.00 57.85 52.38 2wkb n ARG 94 Cb 0.17 -1.87 -0.16 0.00 -1.16 0.00 0.00 32.46 29.44 2wkb n ARG 94 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wkb s VAL 95 N -3.50 2.02 -0.06 1.55 1.01 -0.79 -1.09 120.40 119.54 2wkb s VAL 95 Ca 0.46 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2wkb s VAL 95 Cb 0.41 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 35.02 2wkb s VAL 95 CO -0.01 0.54 -0.05 -0.47 0.00 0.00 0.00 175.10 175.11 2wkb s TYR 96 N 0.84 0.91 -0.13 5.22 5.04 -0.65 -5.01 117.35 123.57 2wkb s TYR 96 Ca -0.07 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 2wkb s TYR 96 Cb -0.15 -0.81 0.01 0.00 0.35 0.00 0.00 41.96 41.36 2wkb s TYR 96 CO -0.02 -0.26 -0.19 0.42 -1.34 0.00 0.00 175.55 174.16 2wkb s ILE 97 N 1.15 1.79 -0.07 3.14 1.01 -1.26 -1.10 121.20 125.86 2wkb s ILE 97 Ca -0.07 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.81 2wkb s ILE 97 Cb -0.14 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2wkb s ILE 97 CO -0.01 0.50 -0.23 -0.70 0.00 0.00 0.00 174.94 174.49 2wkb s GLU 98 N 0.92 2.59 -0.25 2.79 2.12 0.27 -4.97 118.70 122.17 2wkb s GLU 98 Ca -0.06 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.32 2wkb s GLU 98 Cb -0.15 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 2wkb s GLU 98 CO -0.02 0.27 0.19 -0.06 -0.54 0.00 0.00 175.26 175.10 2wkb s PHE 99 N 0.08 3.30 -0.03 5.30 0.08 -1.26 -0.52 117.98 124.93 2wkb s PHE 99 Ca -0.10 0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.24 2wkb s PHE 99 Cb -0.15 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.96 2wkb s PHE 99 CO 0.05 0.01 -0.19 1.03 -0.10 0.00 0.00 175.22 176.02 2wkb s ARG 100 N 1.24 2.31 0.01 0.44 0.52 0.13 -4.97 118.95 118.63 2wkb s ARG 100 Ca 0.08 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 2wkb s ARG 100 Cb -0.14 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 2wkb s ARG 100 CO 0.06 0.59 -0.10 0.16 0.02 0.00 0.00 175.30 176.04 2wkb s ASP 101 N -0.71 4.41 0.00 0.23 1.47 -1.26 -1.06 116.67 119.75 2wkb s ASP 101 Ca 0.11 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.63 2wkb s ASP 101 Cb -0.10 -0.96 0.00 0.00 -0.34 0.00 0.00 42.92 41.51 2wkb s ASP 101 CO 0.00 0.28 0.00 -3.20 0.68 0.00 0.00 175.17 172.93 2wkb n ASN 106 N 1.60 0.00 -4.48 2.11 2.85 -1.26 -4.93 115.26 111.15 2wkb n ASN 106 Ca -0.16 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 53.98 2wkb n ASN 106 Cb 0.52 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.41 2wkb n ASN 106 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2wkb s PHE 107 N 0.00 2.77 0.13 1.20 0.40 -1.26 -5.13 117.98 116.09 2wkb s PHE 107 Ca 0.00 -0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2wkb s PHE 107 Cb 0.00 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2wkb s PHE 107 CO 0.00 0.14 -0.14 0.00 0.70 0.00 0.00 175.22 175.92 2wkb s ALA 108 N -0.53 1.56 -0.12 5.36 0.00 -1.26 -5.15 121.76 121.63 2wkb s ALA 108 Ca 0.07 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 2wkb s ALA 108 Cb -0.12 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.97 2wkb s ALA 108 CO 0.02 0.09 0.29 -0.06 0.00 0.00 0.00 175.76 176.09 2wkb s PHE 109 N -2.31 -0.37 0.19 0.00 0.08 -1.26 -5.15 117.98 109.16 2wkb s PHE 109 Ca 0.11 0.87 -0.14 0.00 0.12 0.00 0.00 56.93 57.90 2wkb s PHE 109 Cb -0.04 0.10 -0.07 0.00 -0.57 0.00 0.00 43.02 42.44 2wkb s PHE 109 CO 0.03 -0.23 0.58 0.45 -0.10 0.00 0.00 175.22 175.95 2wkb s SER 110 N 0.97 6.79 0.55 1.36 0.15 -1.26 -4.99 113.70 117.27 2wkb s SER 110 Ca -0.07 1.08 0.32 0.00 0.70 0.00 0.00 55.95 57.99 2wkb s SER 110 Cb -0.08 -2.29 1.58 0.00 -1.71 0.00 0.00 66.02 63.52 2wkb s SER 110 CO -0.07 0.02 2.09 1.23 1.20 0.00 0.00 173.24 177.71 2wkb h GLY 111 N 3.16 0.00 1.95 9.45 0.00 -2.02 -3.01 103.07 112.61 2wkb h GLY 111 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2wkb h GLY 111 CO 0.67 0.00 -0.14 1.48 0.00 0.00 0.00 176.54 178.55 2wkb h SER 112 N 0.00 0.06 -1.92 0.19 4.64 -1.94 -0.72 113.55 113.86 2wkb h SER 112 Ca -0.00 -0.01 0.56 0.00 -0.47 0.00 0.00 61.79 61.87 2wkb h SER 112 Cb 0.36 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 2wkb h SER 112 CO 0.01 0.20 1.37 -0.07 -0.87 0.00 0.00 176.83 177.47 2wkb h LEU 113 N 0.06 0.02 0.00 5.97 3.38 -1.95 -2.78 115.31 120.00 2wkb h LEU 113 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2wkb h LEU 113 Cb 0.28 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wkb h LEU 113 CO 0.02 -0.02 -1.06 0.49 0.09 0.00 0.00 178.44 177.96 2wkb n PHE 114 N -4.01 0.00 -0.01 1.13 3.72 -0.72 -4.94 117.46 112.63 2wkb n PHE 114 Ca 0.44 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.82 2wkb n PHE 114 Cb 1.97 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 40.46 2wkb n PHE 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wkb n GLY 115 N 3.00 -0.29 0.00 1.37 0.00 -0.36 -5.17 105.19 103.74 2wkb n GLY 115 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2wkb n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93