#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 1.08 2.09 -0.30 0.00 -1.05 -0.06 -1.75 118.70 118.71 2wkb s GLU 4 Ca -0.07 -0.53 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 2wkb s GLU 4 Cb -0.14 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 2wkb s GLU 4 CO -0.01 -0.01 0.34 -1.17 0.95 0.00 0.00 175.26 175.36 2wkb s LEU 5 N 0.83 4.19 -0.18 1.83 2.96 0.70 -0.63 118.68 128.38 2wkb s LEU 5 Ca -0.10 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2wkb s LEU 5 Cb -0.15 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.19 2wkb s LEU 5 CO 0.01 -0.23 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.04 2wkb s ILE 6 N 2.01 2.60 -0.05 6.68 1.01 0.12 -0.09 121.20 133.48 2wkb s ILE 6 Ca 0.13 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 2wkb s ILE 6 Cb -0.16 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.24 2wkb s ILE 6 CO 0.11 0.50 0.44 0.28 0.00 0.00 0.00 174.94 176.28 2wkb s THR 7 N 1.10 0.03 -1.77 2.92 -1.32 -0.93 -0.51 115.64 115.16 2wkb s THR 7 Ca 0.00 -0.26 0.12 0.00 -1.21 0.00 0.00 61.69 60.33 2wkb s THR 7 Cb -0.14 -0.74 0.37 0.00 -1.51 0.00 0.00 72.50 70.48 2wkb s THR 7 CO -0.05 -0.15 1.28 -0.46 -2.21 0.00 0.00 174.62 173.03 2wkb n ASN 8 N 1.39 2.38 -4.64 8.08 0.23 -1.10 -0.79 115.26 120.80 2wkb n ASN 8 Ca -0.20 -2.08 -0.39 0.00 -0.53 0.00 0.00 54.58 51.38 2wkb n ASN 8 Cb 0.56 -0.32 -0.08 0.00 -2.08 0.00 0.00 39.78 37.86 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 -1.54 5.17 -0.15 1.53 1.01 -1.26 -4.77 121.20 121.19 2wkb s ILE 9 Ca 0.27 0.70 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 2wkb s ILE 9 Cb 0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2wkb s ILE 9 CO 0.17 0.20 0.66 -0.55 0.00 0.00 0.00 174.94 175.42 2wkb s SER 10 N 1.28 6.80 0.05 3.58 0.15 -1.26 -4.91 113.70 119.38 2wkb s SER 10 Ca 0.18 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.81 2wkb s SER 10 Cb -0.15 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2wkb s SER 10 CO 0.09 -0.22 -0.06 0.27 1.20 0.00 0.00 173.24 174.51 2wkb s ILE 11 N 1.54 0.45 0.82 6.45 -4.36 -1.26 -5.15 121.20 119.69 2wkb s ILE 11 Ca 0.32 -1.38 -0.12 0.00 -0.26 0.00 0.00 60.65 59.20 2wkb s ILE 11 Cb -0.16 -0.96 0.09 0.00 1.25 0.00 0.00 42.46 42.67 2wkb s ILE 11 CO 0.12 -0.63 1.17 -2.84 0.24 0.00 0.00 174.94 173.01 2wkb s PRO 12 N -2.51 1.64 0.30 0.37 0.02 -1.26 -4.72 135.00 128.85 2wkb s PRO 12 Ca -0.03 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2wkb s PRO 12 Cb -0.03 -1.79 0.48 0.00 0.02 0.00 0.00 34.50 33.18 2wkb s PRO 12 CO -0.03 -2.18 1.89 -0.44 -0.33 0.00 0.00 177.00 175.91 2wkb h ASP 13 N -1.11 0.75 -0.15 2.53 3.32 -2.01 -1.00 116.42 118.75 2wkb h ASP 13 Ca -0.45 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 2wkb h ASP 13 Cb 1.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 2wkb h ASP 13 CO 0.46 0.68 -0.32 -2.24 -1.72 0.00 0.00 179.24 176.10 2wkb h ASP 14 N 0.81 0.67 0.20 6.45 2.03 -2.00 -0.27 116.42 124.31 2wkb h ASP 14 Ca 0.19 -0.27 -0.18 0.00 -0.73 0.00 0.00 57.03 56.05 2wkb h ASP 14 Cb 0.16 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2wkb h ASP 14 CO -0.02 0.94 -0.70 0.50 -1.03 0.00 0.00 179.24 178.93 2wkb h LYS 15 N 0.55 0.45 -0.37 4.15 3.64 -1.76 -2.09 116.57 121.13 2wkb h LYS 15 Ca 0.06 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2wkb h LYS 15 Cb 0.82 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2wkb h LYS 15 CO 0.07 0.98 0.22 0.00 -2.27 0.00 0.00 179.45 178.45 2wkb h ALA 16 N 0.92 0.46 -0.93 5.00 0.00 -0.99 -0.25 119.26 123.48 2wkb h ALA 16 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wkb h ALA 16 Cb 1.27 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 2wkb h ALA 16 CO 0.12 -0.12 0.61 1.96 0.00 0.00 0.00 179.25 181.82 2wkb h GLN 17 N 0.45 1.16 -0.52 0.00 1.08 -0.90 -0.94 115.11 115.44 2wkb h GLN 17 Ca 0.14 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 2wkb h GLN 17 Cb -0.01 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.14 2wkb h GLN 17 CO -0.06 0.77 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.55 2wkb h ASN 18 N 1.19 1.00 -0.07 1.46 2.35 -1.11 -0.15 115.58 120.25 2wkb h ASN 18 Ca 0.36 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2wkb h ASN 18 Cb -0.04 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 2wkb h ASN 18 CO -0.11 1.13 0.03 0.74 -1.65 0.00 0.00 177.43 177.57 2wkb h THR 19 N 0.88 1.12 -0.66 2.81 2.02 -0.73 0.14 112.91 118.49 2wkb h THR 19 Ca 0.13 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2wkb h THR 19 Cb 0.70 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2wkb h THR 19 CO 0.05 0.10 0.19 -0.07 0.37 0.00 0.00 175.52 176.16 2wkb h LEU 20 N -0.02 0.95 -0.59 2.58 3.38 -0.97 -1.34 115.31 119.30 2wkb h LEU 20 Ca 0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2wkb h LEU 20 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wkb h LEU 20 CO -0.00 0.90 0.18 -1.28 0.09 0.00 0.00 178.44 178.33 2wkb h SER 21 N 0.98 0.85 -0.60 -0.43 0.87 -0.75 -0.57 113.55 113.91 2wkb h SER 21 Ca 0.21 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2wkb h SER 21 Cb 0.30 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2wkb h SER 21 CO -0.01 0.84 0.16 -0.33 -0.53 0.00 0.00 176.83 176.96 2wkb h GLU 22 N 0.83 0.95 -0.66 2.24 5.08 -0.49 -1.65 114.58 120.88 2wkb h GLU 22 Ca 0.19 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2wkb h GLU 22 Cb 0.29 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2wkb h GLU 22 CO -0.01 0.86 0.30 0.82 -1.00 0.00 0.00 179.01 179.98 2wkb h ILE 23 N 0.86 1.23 -0.86 3.13 2.04 -1.00 -0.33 117.51 122.58 2wkb h ILE 23 Ca 0.19 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2wkb h ILE 23 Cb 0.33 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2wkb h ILE 23 CO -0.00 0.27 0.54 -0.33 0.00 0.00 0.00 178.15 178.63 2wkb h GLU 24 N 0.92 0.99 -0.24 2.37 5.08 -0.85 -0.71 114.58 122.14 2wkb h GLU 24 Ca 0.22 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 2wkb h GLU 24 Cb 0.15 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2wkb h GLU 24 CO -0.02 0.65 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.75 2wkb h ASP 25 N 1.02 0.66 -0.60 1.42 3.32 -1.04 -1.39 116.42 119.80 2wkb h ASP 25 Ca 0.36 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2wkb h ASP 25 Cb 0.10 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2wkb h ASP 25 CO -0.15 1.01 0.36 0.00 -1.72 0.00 0.00 179.24 178.74 2wkb h ALA 26 N 1.02 0.78 -0.42 3.45 0.00 -0.31 0.34 119.26 124.11 2wkb h ALA 26 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wkb h ALA 26 Cb 0.97 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2wkb h ALA 26 CO 0.09 0.08 0.21 0.82 0.00 0.00 0.00 179.25 180.45 2wkb h ILE 27 N 0.70 1.17 0.01 0.00 2.04 -0.88 0.45 117.51 121.01 2wkb h ILE 27 Ca 0.24 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2wkb h ILE 27 Cb 0.04 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2wkb h ILE 27 CO -0.11 0.18 -0.01 0.28 0.00 0.00 0.00 178.15 178.50 2wkb h SER 28 N 0.54 -0.01 -0.35 1.72 0.02 -0.96 0.12 113.55 114.62 2wkb h SER 28 Ca 0.14 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2wkb h SER 28 Cb 0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2wkb h SER 28 CO -0.02 0.03 0.14 -1.13 -1.14 0.00 0.00 176.83 174.71 2wkb h ASN 29 N -0.06 0.18 -0.17 3.07 -1.24 -0.21 0.55 115.58 117.70 2wkb h ASN 29 Ca -0.00 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 56.90 2wkb h ASN 29 Cb 0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2wkb h ASN 29 CO 0.00 0.14 -0.38 0.40 -1.29 0.00 0.00 177.43 176.31 2wkb h ILE 30 N 0.30 1.29 -0.01 2.57 1.08 -0.84 -3.11 117.51 118.79 2wkb h ILE 30 Ca 0.15 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 2wkb h ILE 30 Cb 0.10 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2wkb h ILE 30 CO -0.14 0.50 -0.06 -0.11 -0.69 0.00 0.00 178.15 177.66 2wkb n LEU 31 N -4.05 0.58 -1.96 1.44 7.94 0.40 -4.93 117.00 116.42 2wkb n LEU 31 Ca -0.02 -0.11 -0.09 0.00 -1.11 0.00 0.00 56.01 54.68 2wkb n LEU 31 Cb 0.52 -0.09 -0.02 0.00 0.53 0.00 0.00 43.42 44.35 2wkb n LEU 31 CO 0.46 0.10 -0.11 0.61 -1.11 0.00 0.00 177.39 177.34 2wkb n GLY 32 N 1.18 0.09 3.01 -3.96 0.00 0.16 -4.93 105.19 100.74 2wkb n GLY 32 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2wkb n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wkb s LYS 33 N -4.09 0.33 0.55 1.61 -2.85 -1.14 -5.05 119.74 109.10 2wkb s LYS 33 Ca 0.00 -0.50 -0.19 0.00 -1.00 0.00 0.00 55.97 54.28 2wkb s LYS 33 Cb 0.00 0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.84 2wkb s LYS 33 CO 0.00 -0.06 1.13 -1.25 0.10 0.00 0.00 175.35 175.27 2wkb s PRO 34 N -1.31 3.33 -1.36 1.78 0.04 -1.26 -4.34 135.00 131.87 2wkb s PRO 34 Ca -0.14 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 2wkb s PRO 34 Cb -0.09 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.52 2wkb s PRO 34 CO -0.00 -0.87 1.94 1.33 0.04 0.00 0.00 177.00 179.45 2wkb n VAL 35 N -1.32 3.78 -1.60 -0.36 0.24 -1.26 -4.91 118.33 112.90 2wkb n VAL 35 Ca 0.12 -3.69 -0.44 0.00 -2.04 0.00 0.00 64.34 58.28 2wkb n VAL 35 Cb 0.51 -2.47 -0.04 0.00 -1.47 0.00 0.00 33.84 30.37 2wkb n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wkb n ALA 36 N 6.88 1.55 -1.80 2.33 0.00 -1.26 -3.57 120.51 124.63 2wkb n ALA 36 Ca 0.49 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 2wkb n ALA 36 Cb 0.42 -2.77 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 2wkb n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wkb n TYR 37 N 9.98 -0.24 -2.86 0.00 4.01 -1.26 -4.98 117.16 121.81 2wkb n TYR 37 Ca 0.28 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.67 2wkb n TYR 37 Cb 0.39 -1.98 -0.06 0.00 -0.31 0.00 0.00 39.34 37.38 2wkb n TYR 37 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2wkb s ILE 38 N -2.37 4.33 -0.06 -0.72 2.07 -1.23 -4.55 121.20 118.66 2wkb s ILE 38 Ca 0.00 1.63 -0.04 0.00 -1.41 0.00 0.00 60.65 60.83 2wkb s ILE 38 Cb 0.00 -3.89 -0.04 0.00 0.13 0.00 0.00 42.46 38.66 2wkb s ILE 38 CO 0.00 0.05 0.15 -0.04 -1.91 0.00 0.00 174.94 173.19 2wkb s MET 39 N -2.30 3.39 0.13 3.50 -1.94 0.04 -5.02 119.30 117.10 2wkb s MET 39 Ca 0.51 -0.25 0.02 0.00 -1.71 0.00 0.00 55.69 54.26 2wkb s MET 39 Cb -0.16 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 2wkb s MET 39 CO 0.21 0.72 -0.03 -1.54 -0.01 0.00 0.00 175.02 174.37 2wkb s SER 40 N -1.47 1.13 -0.01 3.03 1.04 -1.26 -0.48 113.70 115.69 2wkb s SER 40 Ca 0.21 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.26 2wkb s SER 40 Cb -0.12 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.19 2wkb s SER 40 CO 0.11 -0.52 0.68 0.21 0.98 0.00 0.00 173.24 174.70 2wkb s ASN 41 N -3.10 -0.62 -0.30 7.02 2.47 -0.72 -4.97 114.94 114.73 2wkb s ASN 41 Ca 0.18 0.53 0.02 0.00 0.42 0.00 0.00 52.86 54.00 2wkb s ASN 41 Cb 0.06 0.54 0.07 0.00 -1.45 0.00 0.00 41.25 40.46 2wkb s ASN 41 CO -0.01 -0.68 -0.03 -0.47 -3.72 0.00 0.00 177.10 172.20 2wkb s TYR 42 N -1.80 3.40 -0.49 0.43 6.14 -1.26 -0.22 117.35 123.56 2wkb s TYR 42 Ca -0.07 -2.40 -0.09 0.00 0.64 0.00 0.00 57.07 55.15 2wkb s TYR 42 Cb -0.00 -2.27 0.12 0.00 0.42 0.00 0.00 41.96 40.23 2wkb s TYR 42 CO 0.04 -0.89 0.36 0.34 0.64 0.00 0.00 175.55 176.05 2wkb s ASP 43 N 1.13 5.72 -0.30 4.32 3.68 0.87 -5.00 116.67 127.09 2wkb s ASP 43 Ca -0.03 -1.98 -0.29 0.00 2.13 0.00 0.00 52.55 52.39 2wkb s ASP 43 Cb -0.20 -2.01 -0.01 0.00 -1.45 0.00 0.00 42.92 39.25 2wkb s ASP 43 CO -0.05 -0.68 1.59 -0.47 0.13 0.00 0.00 175.17 175.69 2wkb s TYR 44 N 1.27 2.15 -0.47 -5.34 5.04 -1.26 -2.20 117.35 116.54 2wkb s TYR 44 Ca 0.07 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.35 2wkb s TYR 44 Cb -0.25 -4.08 0.13 0.00 0.35 0.00 0.00 41.96 38.10 2wkb s TYR 44 CO -0.01 -2.61 0.24 -0.65 -1.34 0.00 0.00 175.55 171.17 2wkb s GLN 45 N 4.93 1.60 0.54 4.97 -1.52 0.03 -4.97 119.66 125.24 2wkb s GLN 45 Ca 0.70 -2.26 0.22 0.00 -1.95 0.00 0.00 55.36 52.07 2wkb s GLN 45 Cb -0.21 -2.82 1.43 0.00 -0.22 0.00 0.00 33.01 31.19 2wkb s GLN 45 CO 0.30 -1.12 2.12 1.57 -0.25 0.00 0.00 175.29 177.91 2wkb h LYS 46 N 6.70 0.00 -0.18 2.91 2.10 -1.86 -2.13 116.57 124.11 2wkb h LYS 46 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2wkb h LYS 46 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2wkb h LYS 46 CO 0.58 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.12 2wkb n ASN 47 N -4.30 1.91 -4.75 7.07 3.02 -1.26 -4.85 115.26 112.10 2wkb n ASN 47 Ca 0.01 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 2wkb n ASN 47 Cb 0.25 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.59 4.35 0.16 3.41 2.96 -0.80 -4.98 118.68 122.19 2wkb s LEU 48 Ca 0.33 2.88 0.11 0.00 -0.22 0.00 0.00 54.13 57.23 2wkb s LEU 48 Cb 0.18 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2wkb s LEU 48 CO 0.27 -0.88 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.05 2wkb s ARG 49 N -0.31 1.40 -0.09 1.98 0.52 -1.26 -4.54 118.95 116.65 2wkb s ARG 49 Ca 0.64 -1.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2wkb s ARG 49 Cb -0.47 -1.76 0.04 0.00 0.52 0.00 0.00 34.95 33.29 2wkb s ARG 49 CO 0.45 0.40 0.21 0.12 0.02 0.00 0.00 175.30 176.50 2wkb s PHE 50 N -1.42 -0.26 -1.53 -0.53 5.36 -0.52 -4.87 117.98 114.21 2wkb s PHE 50 Ca 0.16 0.65 -0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2wkb s PHE 50 Cb -0.09 0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.60 2wkb s PHE 50 CO 0.07 -0.20 0.05 0.43 -1.46 0.00 0.00 175.22 174.11 2wkb n SER 51 N 4.10 -5.29 -0.19 6.13 7.64 -1.26 -1.80 113.62 122.95 2wkb n SER 51 Ca -0.25 -0.04 -0.02 0.00 1.01 0.00 0.00 58.87 59.57 2wkb n SER 51 Cb 0.53 -4.34 -0.01 0.00 -1.01 0.00 0.00 64.21 59.38 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 -1.05 0.58 3.06 0.23 0.00 -1.26 -5.04 105.19 101.71 2wkb n GLY 52 Ca -0.21 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.61 1.29 -0.13 1.61 0.15 -0.75 -5.00 113.70 108.26 2wkb s SER 53 Ca 0.00 -0.23 0.13 0.00 0.70 0.00 0.00 55.95 56.55 2wkb s SER 53 Cb 0.00 -0.13 0.61 0.00 -1.71 0.00 0.00 66.02 64.78 2wkb s SER 53 CO 0.00 0.12 1.47 -3.20 1.20 0.00 0.00 173.24 172.82 2wkb n ASN 54 N 2.70 4.24 -4.72 5.45 5.15 -1.26 -1.44 115.26 125.39 2wkb n ASN 54 Ca -0.14 -2.51 -0.31 0.00 -0.60 0.00 0.00 54.58 51.02 2wkb n ASN 54 Cb 0.56 -0.57 0.13 0.00 -0.53 0.00 0.00 39.78 39.37 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 -2.04 1.55 -0.16 1.20 0.41 -1.26 -4.87 118.70 113.54 2wkb s GLU 55 Ca 0.42 1.23 -0.42 0.00 -0.41 0.00 0.00 54.97 55.79 2wkb s GLU 55 Cb 0.29 -1.81 -0.19 0.00 -1.78 0.00 0.00 34.13 30.64 2wkb s GLU 55 CO 0.17 -2.16 1.32 0.41 -0.49 0.00 0.00 175.26 174.51 2wkb n GLY 56 N -0.63 0.05 3.37 -1.39 0.00 -1.26 -4.89 105.19 100.43 2wkb n GLY 56 Ca 0.09 0.84 -0.14 0.00 0.00 0.00 0.00 46.02 46.82 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 1.24 -0.47 -0.06 1.61 5.04 -1.26 -4.82 117.35 118.63 2wkb s TYR 57 Ca 0.95 1.06 0.01 0.00 -2.44 0.00 0.00 57.07 56.64 2wkb s TYR 57 Cb -1.28 0.19 0.02 0.00 0.35 0.00 0.00 41.96 41.24 2wkb s TYR 57 CO 0.64 -0.33 -0.05 0.00 -1.34 0.00 0.00 175.55 174.48 2wkb s PHE 59 N 1.14 3.02 -0.20 0.00 5.36 0.33 -1.65 117.98 125.97 2wkb s PHE 59 Ca -0.07 -0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 55.38 2wkb s PHE 59 Cb -0.14 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 2wkb s PHE 59 CO -0.01 -0.23 -0.07 0.08 -1.46 0.00 0.00 175.22 173.53 2wkb s VAL 60 N 0.90 3.24 -0.22 3.12 1.01 -0.10 0.15 120.40 128.51 2wkb s VAL 60 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2wkb s VAL 60 Cb -0.14 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2wkb s VAL 60 CO 0.02 0.45 -0.05 -0.60 0.00 0.00 0.00 175.10 174.91 2wkb s ARG 61 N 1.28 3.35 -0.26 2.72 3.52 0.20 -0.71 118.95 129.06 2wkb s ARG 61 Ca 0.03 -0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 54.95 2wkb s ARG 61 Cb -0.14 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2wkb s ARG 61 CO -0.03 -0.19 0.02 -0.51 -0.81 0.00 0.00 175.30 173.78 2wkb s LEU 62 N 1.43 3.38 -0.15 -0.88 1.02 -0.03 -0.88 118.68 122.57 2wkb s LEU 62 Ca 0.05 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.65 2wkb s LEU 62 Cb -0.14 -1.80 0.01 0.00 0.02 0.00 0.00 46.19 44.28 2wkb s LEU 62 CO -0.04 -0.10 -0.20 -0.89 0.02 0.00 0.00 176.35 175.14 2wkb s THR 63 N 1.48 1.95 -1.45 5.49 2.01 -1.26 -1.38 115.64 122.48 2wkb s THR 63 Ca 0.04 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 2wkb s THR 63 Cb -0.16 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.65 2wkb s THR 63 CO -0.00 0.53 0.86 -1.20 -0.69 0.00 0.00 174.62 174.11 2wkb n SER 64 N 4.33 -3.29 -4.51 3.53 7.64 0.52 -4.23 113.62 117.60 2wkb n SER 64 Ca -0.20 -0.80 -0.39 0.00 1.01 0.00 0.00 58.87 58.49 2wkb n SER 64 Cb 0.51 -3.91 -0.11 0.00 -1.01 0.00 0.00 64.21 59.68 2wkb n SER 64 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wkb s ILE 65 N -3.46 4.97 -0.05 0.44 1.01 -1.26 -4.24 121.20 118.61 2wkb s ILE 65 Ca 0.40 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2wkb s ILE 65 Cb -0.20 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2wkb s ILE 65 CO 0.83 0.13 -0.11 -0.83 0.00 0.00 0.00 174.94 174.96 2wkb s GLY 66 N 1.69 1.61 -0.09 6.18 0.00 -1.26 -4.07 107.32 111.38 2wkb s GLY 66 Ca 0.06 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2wkb s GLY 66 CO 0.09 -0.75 -0.21 -0.32 0.00 0.00 0.00 173.10 171.90 2wkb s GLY 67 N -0.84 1.38 -0.03 0.20 0.00 -1.26 -5.14 107.32 101.64 2wkb s GLY 67 Ca 0.12 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.92 2wkb s GLY 67 CO 0.01 -0.45 -0.21 -0.42 0.00 0.00 0.00 173.10 172.03 2wkb s ILE 68 N 0.07 2.51 0.08 0.90 -1.09 -1.26 -4.93 121.20 117.47 2wkb s ILE 68 Ca -0.09 -0.96 -0.08 0.00 -2.23 0.00 0.00 60.65 57.29 2wkb s ILE 68 Cb -0.15 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.78 2wkb s ILE 68 CO 0.06 0.57 0.16 0.20 -1.23 0.00 0.00 174.94 174.69 2wkb s ASN 69 N -0.72 0.17 0.40 3.58 0.01 -1.26 -4.88 114.94 112.23 2wkb s ASN 69 Ca 0.11 -0.69 0.15 0.00 -0.71 0.00 0.00 52.86 51.72 2wkb s ASN 69 Cb -0.10 0.31 1.00 0.00 0.41 0.00 0.00 41.25 42.87 2wkb s ASN 69 CO 0.00 -0.70 1.86 0.03 -1.51 0.00 0.00 177.10 176.78 2wkb h ARG 70 N 2.86 0.48 -0.09 -0.60 2.47 -2.00 6.18 114.38 123.67 2wkb h ARG 70 Ca -0.34 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 2wkb h ARG 70 Cb 1.19 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2wkb h ARG 70 CO 0.57 0.31 0.00 0.43 0.56 0.00 0.00 179.97 181.85 2wkb n SER 71 N -4.54 1.15 -0.03 7.04 7.64 -1.26 -4.40 113.62 119.23 2wkb n SER 71 Ca 0.19 -1.56 -0.06 0.00 1.01 0.00 0.00 58.87 58.45 2wkb n SER 71 Cb 0.62 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 2wkb n SER 71 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2wkb n ASN 72 N -0.04 1.44 -0.24 6.43 5.15 1.87 -4.84 115.26 125.04 2wkb n ASN 72 Ca 0.17 0.22 -0.04 0.00 -0.60 0.00 0.00 54.58 54.33 2wkb n ASN 72 Cb 0.26 -0.52 0.13 0.00 -0.53 0.00 0.00 39.78 39.12 2wkb n ASN 72 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2wkb h ASN 73 N -0.49 0.98 -1.01 1.20 7.08 0.24 -3.15 115.58 120.44 2wkb h ASN 73 Ca -0.05 -0.14 0.02 0.00 -3.08 0.00 0.00 56.30 53.06 2wkb h ASN 73 Cb 0.61 -0.25 -0.05 0.00 -2.08 0.00 0.00 38.32 36.54 2wkb h ASN 73 CO -0.03 0.86 0.66 -1.28 -2.08 0.00 0.00 177.43 175.57 2wkb h SER 74 N 1.05 1.13 -0.46 6.14 0.87 -1.80 0.58 113.55 121.05 2wkb h SER 74 Ca 0.25 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.85 2wkb h SER 74 Cb 0.18 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 2wkb h SER 74 CO -0.02 0.80 0.13 -0.07 -0.53 0.00 0.00 176.83 177.13 2wkb h LEU 75 N 1.32 0.08 -0.16 2.23 4.07 -1.87 0.49 115.31 121.47 2wkb h LEU 75 Ca 0.38 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.41 2wkb h LEU 75 Cb -0.08 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2wkb h LEU 75 CO -0.10 0.08 0.08 0.25 -1.08 0.00 0.00 178.44 177.67 2wkb h LEU 76 N 0.28 0.21 -1.09 1.67 5.85 -0.68 -1.89 115.31 119.65 2wkb h LEU 76 Ca 0.23 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2wkb h LEU 76 Cb 0.27 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2wkb h LEU 76 CO -0.27 0.25 0.61 0.00 -0.34 0.00 0.00 178.44 178.70 2wkb h ALA 77 N 0.96 1.56 -0.06 1.25 0.00 0.31 -0.77 119.26 122.51 2wkb h ALA 77 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wkb h ALA 77 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wkb h ALA 77 CO -0.01 0.23 0.03 0.22 0.00 0.00 0.00 179.25 179.72 2wkb h ASP 78 N 0.97 0.08 -0.77 0.00 3.58 -0.68 -1.54 116.42 118.07 2wkb h ASP 78 Ca 0.45 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 2wkb h ASP 78 Cb 0.42 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 2wkb h ASP 78 CO -0.21 0.21 0.39 0.50 -2.88 0.00 0.00 179.24 177.24 2wkb h LYS 79 N -0.05 1.09 -0.50 0.28 1.63 -0.58 -2.04 116.57 116.40 2wkb h LYS 79 Ca 0.02 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 59.55 2wkb h LYS 79 Cb 0.15 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2wkb h LYS 79 CO -0.00 0.84 -0.18 0.82 -3.45 0.00 0.00 179.45 177.47 2wkb h ILE 80 N 1.08 1.27 -0.57 2.00 2.04 -1.04 -1.32 117.51 120.96 2wkb h ILE 80 Ca 0.27 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.80 2wkb h ILE 80 Cb 0.09 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2wkb h ILE 80 CO -0.04 0.47 0.35 0.74 0.00 0.00 0.00 178.15 179.67 2wkb h THR 81 N 0.86 1.08 -0.62 -0.27 2.02 -1.11 0.08 112.91 114.96 2wkb h THR 81 Ca 0.12 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2wkb h THR 81 Cb 0.76 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2wkb h THR 81 CO 0.06 0.13 0.41 0.11 0.37 0.00 0.00 175.52 176.60 2wkb h LYS 82 N 0.71 0.83 -0.56 6.66 1.57 -1.10 -0.42 116.57 124.26 2wkb h LYS 82 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2wkb h LYS 82 Cb -0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2wkb h LYS 82 CO -0.09 0.56 0.27 0.82 -0.57 0.00 0.00 179.45 180.44 2wkb h ILE 83 N 0.85 1.20 -0.35 1.86 2.04 -0.66 -2.15 117.51 120.30 2wkb h ILE 83 Ca 0.23 -0.57 -0.16 0.00 1.00 0.00 0.00 64.86 65.36 2wkb h ILE 83 Cb -0.08 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2wkb h ILE 83 CO -0.05 0.23 -0.41 -0.07 0.00 0.00 0.00 178.15 177.85 2wkb h LEU 84 N 0.75 0.96 -1.04 1.44 3.38 -0.67 0.79 115.31 120.91 2wkb h LEU 84 Ca 0.19 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2wkb h LEU 84 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wkb h LEU 84 CO -0.02 1.25 -0.43 0.77 0.09 0.00 0.00 178.44 180.10 2wkb h SER 85 N 0.69 0.00 0.43 -0.43 4.64 -1.04 0.36 113.55 118.20 2wkb h SER 85 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2wkb h SER 85 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2wkb h SER 85 CO 0.10 0.43 -0.21 -1.13 -0.87 0.00 0.00 176.83 175.15 2wkb h ASN 86 N 0.00 -0.49 0.16 4.97 -1.24 -1.13 -2.50 115.58 115.35 2wkb h ASN 86 Ca -0.00 0.02 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 2wkb h ASN 86 Cb 0.85 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 2wkb h ASN 86 CO 0.06 -0.24 -0.63 0.45 -1.29 0.00 0.00 177.43 175.78 2wkb h HIS 87 N -0.81 0.59 -0.00 0.67 3.86 -0.76 -3.30 115.15 115.41 2wkb h HIS 87 Ca -0.06 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2wkb h HIS 87 Cb 0.44 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2wkb h HIS 87 CO 0.05 0.96 -0.58 1.28 0.86 0.00 0.00 177.93 180.51 2wkb n LEU 88 N -3.90 0.92 -3.25 2.43 4.32 0.13 -4.98 117.00 112.66 2wkb n LEU 88 Ca -0.04 -0.57 -0.23 0.00 -0.02 0.00 0.00 56.01 55.15 2wkb n LEU 88 Cb 0.65 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.47 2wkb n LEU 88 CO 0.47 0.21 0.02 -1.20 -1.22 0.00 0.00 177.39 175.66 2wkb n SER 89 N -1.01 -5.26 -4.79 -1.43 7.64 -0.94 -4.97 113.62 102.86 2wkb n SER 89 Ca 0.04 -0.38 -0.39 0.00 1.01 0.00 0.00 58.87 59.15 2wkb n SER 89 Cb 0.25 -4.26 -0.06 0.00 -1.01 0.00 0.00 64.21 59.13 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 -3.12 4.67 0.29 0.44 0.11 -1.26 -5.03 120.40 116.51 2wkb s VAL 90 Ca 0.39 1.39 -0.29 0.00 -2.93 0.00 0.00 61.98 60.54 2wkb s VAL 90 Cb -0.19 -3.99 -0.13 0.00 -1.53 0.00 0.00 36.38 30.54 2wkb s VAL 90 CO 0.48 0.50 1.27 0.29 -3.33 0.00 0.00 175.10 174.31 2wkb n LYS 91 N 1.99 1.92 0.22 1.54 5.02 -1.26 -4.44 118.16 123.15 2wkb n LYS 91 Ca -0.08 0.68 0.05 0.00 -2.02 0.00 0.00 58.31 56.94 2wkb n LYS 91 Cb 0.50 -2.24 0.50 0.00 -0.02 0.00 0.00 35.03 33.77 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 3.00 0.00 0.00 1.97 0.11 -1.95 0.54 132.00 135.67 2wkb h PRO 92 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wkb h PRO 92 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wkb h PRO 92 CO 0.67 0.19 0.00 2.89 -0.21 0.00 0.00 178.00 181.54 2wkb n ARG 93 N -4.30 0.14 -0.64 1.05 1.85 -1.26 -1.85 116.66 111.65 2wkb n ARG 93 Ca -0.02 0.48 0.04 0.00 -1.00 0.00 0.00 57.85 57.35 2wkb n ARG 93 Cb 0.26 -1.83 0.27 0.00 -1.05 0.00 0.00 32.46 30.10 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 -2.11 3.03 -4.45 2.89 5.12 0.18 -4.86 116.66 116.46 2wkb n ARG 94 Ca 0.01 -2.97 -0.34 0.00 -1.93 0.00 0.00 57.85 52.62 2wkb n ARG 94 Cb 0.14 -1.94 -0.12 0.00 -1.16 0.00 0.00 32.46 29.38 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 -2.93 3.76 -0.04 1.55 1.01 -0.77 -0.99 120.40 121.99 2wkb s VAL 95 Ca 0.46 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2wkb s VAL 95 Cb 0.38 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2wkb s VAL 95 CO 0.09 0.50 -0.03 -0.47 0.00 0.00 0.00 175.10 175.19 2wkb s TYR 96 N 0.37 0.64 -0.09 5.22 5.04 -0.66 -5.00 117.35 122.87 2wkb s TYR 96 Ca -0.05 -0.15 0.03 0.00 -2.44 0.00 0.00 57.07 54.46 2wkb s TYR 96 Cb -0.14 -0.63 0.01 0.00 0.35 0.00 0.00 41.96 41.54 2wkb s TYR 96 CO 0.03 -0.20 -0.20 0.42 -1.34 0.00 0.00 175.55 174.27 2wkb s ILE 97 N 1.10 1.73 -0.05 3.14 1.01 -1.26 -0.92 121.20 125.95 2wkb s ILE 97 Ca -0.08 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2wkb s ILE 97 Cb -0.14 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2wkb s ILE 97 CO -0.01 0.49 -0.17 -0.70 0.00 0.00 0.00 174.94 174.54 2wkb s GLU 98 N 0.54 1.94 -0.12 2.79 2.12 0.11 -4.98 118.70 121.10 2wkb s GLU 98 Ca -0.15 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 2wkb s GLU 98 Cb -0.17 -1.63 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 2wkb s GLU 98 CO 0.06 0.20 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.88 2wkb s PHE 99 N 0.19 3.03 0.01 5.30 0.08 -1.26 -0.85 117.98 124.48 2wkb s PHE 99 Ca -0.08 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.89 2wkb s PHE 99 Cb -0.13 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2wkb s PHE 99 CO 0.03 0.18 -0.06 -0.98 -0.10 0.00 0.00 175.22 174.30 2wkb s ARG 100 N -0.24 0.42 -0.35 0.44 1.70 -0.48 -4.99 118.95 115.46 2wkb s ARG 100 Ca 0.04 -0.35 -0.05 0.00 -0.47 0.00 0.00 55.73 54.91 2wkb s ARG 100 Cb -0.13 -0.34 0.06 0.00 -0.57 0.00 0.00 34.95 33.98 2wkb s ARG 100 CO 0.02 0.08 0.12 0.34 -1.08 0.00 0.00 175.30 174.78 2wkb s ASP 101 N -0.57 5.22 0.00 -2.89 -1.08 -1.26 -0.36 116.67 115.74 2wkb s ASP 101 Ca -0.02 -1.42 0.17 0.00 -0.52 0.00 0.00 52.55 50.76 2wkb s ASP 101 Cb -0.04 -1.83 0.27 0.00 -1.46 0.00 0.00 42.92 39.86 2wkb s ASP 101 CO -0.00 -0.38 1.19 0.00 0.52 0.00 0.00 175.17 176.50 2wkb h SER 103 N 3.36 0.00 0.20 0.00 4.64 -1.92 -1.34 113.55 118.50 2wkb h SER 103 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2wkb h SER 103 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 2wkb h SER 103 CO 0.00 0.00 -1.88 0.00 -0.87 0.00 0.00 176.83 174.08 2wkb n ALA 104 N -2.08 2.45 0.52 5.18 0.00 -1.26 -4.49 120.51 120.83 2wkb n ALA 104 Ca -0.01 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 52.93 2wkb n ALA 104 Cb 0.30 -0.72 0.40 0.00 0.00 0.00 0.00 19.45 19.44 2wkb n ALA 104 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wkb h GLN 105 N 0.00 0.00 -6.34 0.00 1.08 -1.61 -3.47 115.11 104.77 2wkb h GLN 105 Ca -0.11 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.48 2wkb h GLN 105 Cb 1.28 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.58 2wkb h GLN 105 CO 0.01 0.00 -0.72 -0.80 -0.95 0.00 0.00 178.83 176.37 2wkb s ASN 106 N -4.74 4.06 -0.10 1.46 0.01 -1.22 -5.12 114.94 109.29 2wkb s ASN 106 Ca 0.09 -0.75 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 2wkb s ASN 106 Cb 0.11 -0.59 -0.03 0.00 0.41 0.00 0.00 41.25 41.15 2wkb s ASN 106 CO 0.57 0.06 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.83 2wkb s PHE 107 N -2.07 3.05 -0.00 2.20 0.08 -1.26 -5.02 117.98 114.95 2wkb s PHE 107 Ca 0.27 0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.38 2wkb s PHE 107 Cb -0.07 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2wkb s PHE 107 CO 0.16 0.29 -0.15 0.00 -0.10 0.00 0.00 175.22 175.42 2wkb s ALA 108 N -0.53 1.24 -0.02 5.36 0.00 -1.26 -5.14 121.76 121.41 2wkb s ALA 108 Ca 0.08 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2wkb s ALA 108 Cb -0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 2wkb s ALA 108 CO 0.02 0.30 -0.09 -0.06 0.00 0.00 0.00 175.76 175.93 2wkb s PHE 109 N -0.41 0.87 0.15 0.00 0.08 -1.26 -5.13 117.98 112.28 2wkb s PHE 109 Ca 0.05 -0.20 -0.21 0.00 0.12 0.00 0.00 56.93 56.70 2wkb s PHE 109 Cb -0.06 -0.60 -0.08 0.00 -0.57 0.00 0.00 43.02 41.71 2wkb s PHE 109 CO -0.00 -0.06 0.67 0.45 -0.10 0.00 0.00 175.22 176.18 2wkb s SER 110 N 0.04 7.13 0.27 1.36 0.15 -1.26 -4.94 113.70 116.45 2wkb s SER 110 Ca -0.00 1.40 0.22 0.00 0.70 0.00 0.00 55.95 58.27 2wkb s SER 110 Cb -0.06 -2.41 1.03 0.00 -1.71 0.00 0.00 66.02 62.87 2wkb s SER 110 CO 0.00 0.17 1.67 0.61 1.20 0.00 0.00 173.24 176.89 2wkb n GLY 111 N 1.30 -1.09 0.11 9.45 0.00 -1.26 -1.78 105.19 111.92 2wkb n GLY 111 Ca -0.06 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2wkb n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wkb n SER 112 N -2.22 0.59 0.25 1.61 3.41 -1.26 -1.48 113.62 114.52 2wkb n SER 112 Ca 0.01 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 2wkb n SER 112 Cb 0.14 -0.77 0.66 0.00 -0.26 0.00 0.00 64.21 63.99 2wkb n SER 112 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wkb h LEU 113 N 0.00 0.00 0.00 1.04 3.38 -1.76 -3.35 115.31 114.62 2wkb h LEU 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wkb h LEU 113 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wkb h LEU 113 CO 0.00 0.15 -0.94 0.49 0.09 0.00 0.00 178.44 178.22 2wkb n PHE 114 N -3.77 0.00 0.00 1.13 3.72 -0.85 -5.08 117.46 112.60 2wkb n PHE 114 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wkb n PHE 114 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 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 3.32 3.39 0.00 1.37 0.00 -0.55 -5.18 105.19 107.54 2wkb n GLY 115 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2wkb n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93