#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrs n SER 5 N 0.00 -5.75 -4.73 2.61 7.64 -1.26 -4.92 113.62 107.21 1wrs n SER 5 Ca 0.00 -0.86 -0.33 0.00 1.01 0.00 0.00 58.87 58.69 1wrs n SER 5 Cb 0.00 -3.61 0.09 0.00 -1.01 0.00 0.00 64.21 59.68 1wrs n SER 5 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wrs s PRO 6 N -5.32 2.15 0.00 1.43 0.04 -1.26 -4.95 135.00 127.09 1wrs s PRO 6 Ca 0.36 1.55 0.13 0.00 0.04 0.00 0.00 61.00 63.08 1wrs s PRO 6 Cb -0.12 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.65 1wrs s PRO 6 CO 0.84 -1.78 0.88 0.66 0.04 0.00 0.00 177.00 177.64 1wrs n TYR 7 N -2.98 0.00 -2.28 0.56 4.01 -1.26 -4.97 117.16 110.25 1wrs n TYR 7 Ca 0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 1wrs n TYR 7 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 1wrs n TYR 7 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1wrs n SER 8 N 0.61 -5.69 -4.65 7.72 7.64 -1.26 -4.90 113.62 113.10 1wrs n SER 8 Ca 0.07 0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 1wrs n SER 8 Cb 0.31 -4.79 -0.02 0.00 -1.01 0.00 0.00 64.21 58.70 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wrs s ALA 9 N -2.96 3.53 0.06 -0.43 0.00 -1.26 -4.85 121.76 115.84 1wrs s ALA 9 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1wrs s ALA 9 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1wrs s ALA 9 CO 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.31 1wrs n ALA 10 N 7.07 -1.07 -2.82 0.00 0.00 -1.26 -4.67 120.51 117.76 1wrs n ALA 10 Ca 0.14 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1wrs n ALA 10 Cb 0.46 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 1wrs n ALA 10 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wrs s MET 11 N -0.59 3.58 -0.34 0.00 1.00 -1.26 -4.99 119.30 116.70 1wrs s MET 11 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 55.69 55.27 1wrs s MET 11 Cb 0.00 -3.00 0.22 0.00 0.00 0.00 0.00 34.83 32.05 1wrs s MET 11 CO 0.00 0.41 2.05 0.00 0.00 0.00 0.00 175.02 177.47 1wrs n ALA 12 N 3.07 5.23 -2.64 3.03 0.00 -1.26 -4.90 120.51 123.04 1wrs n ALA 12 Ca -0.18 -1.80 -0.40 0.00 0.00 0.00 0.00 53.44 51.07 1wrs n ALA 12 Cb 0.53 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 1wrs n ALA 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wrs s GLU 13 N -1.92 4.14 0.03 0.00 0.41 -1.26 -5.02 118.70 115.08 1wrs s GLU 13 Ca 0.34 0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 55.12 1wrs s GLU 13 Cb 0.26 -3.62 -0.07 0.00 -1.78 0.00 0.00 34.13 28.93 1wrs s GLU 13 CO -0.01 -0.32 1.53 -0.65 -0.49 0.00 0.00 175.26 175.32 1wrs s GLN 14 N 2.20 4.24 -0.25 1.61 -0.21 -1.26 -4.88 119.66 121.10 1wrs s GLN 14 Ca 0.26 2.15 0.13 0.00 0.02 0.00 0.00 55.36 57.92 1wrs s GLN 14 Cb -0.16 -3.60 0.58 0.00 1.00 0.00 0.00 33.01 30.83 1wrs s GLN 14 CO 0.09 -0.67 1.54 0.54 -2.12 0.00 0.00 175.29 174.68 1wrs n ARG 15 N 5.57 2.84 -2.42 2.91 1.74 -1.26 -4.68 116.66 121.35 1wrs n ARG 15 Ca 0.15 -3.00 -0.38 0.00 -0.77 0.00 0.00 57.85 53.84 1wrs n ARG 15 Cb 0.42 -1.94 0.02 0.00 -1.02 0.00 0.00 32.46 29.94 1wrs n ARG 15 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1wrs n HIS 16 N -0.59 3.04 0.00 -1.55 8.25 -1.26 -4.60 115.22 118.50 1wrs n HIS 16 Ca 0.30 -2.69 0.00 0.00 -0.26 0.00 0.00 57.72 55.08 1wrs n HIS 16 Cb 1.08 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1wrs n HIS 16 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1wrs n GLN 17 N -0.27 0.00 0.24 -0.41 7.27 -1.26 -4.35 117.38 118.59 1wrs n GLN 17 Ca 0.47 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.68 1wrs n GLN 17 Cb 0.30 0.00 0.61 0.00 2.41 0.00 0.00 30.24 33.56 1wrs n GLN 17 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1wrs h GLU 18 N 0.00 0.00 -0.09 3.69 4.11 -1.98 0.88 114.58 121.19 1wrs h GLU 18 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1wrs h GLU 18 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1wrs h GLU 18 CO 0.00 0.00 -0.13 2.35 0.07 0.00 0.00 179.01 181.30 1wrs h TRP 19 N 0.00 -0.33 -0.04 2.06 2.91 -1.81 0.40 115.95 119.14 1wrs h TRP 19 Ca 0.08 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.13 1wrs h TRP 19 Cb 1.21 0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 30.02 1wrs h TRP 19 CO 0.00 -0.20 0.10 1.25 -1.03 0.00 0.00 178.44 178.57 1wrs h LEU 20 N -0.18 0.00 0.00 0.65 5.85 0.61 -3.05 115.31 119.19 1wrs h LEU 20 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wrs h LEU 20 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1wrs h LEU 20 CO -0.20 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 178.44 1wrs n ARG 21 N -3.31 0.00 -0.48 1.25 5.12 0.12 0.20 116.66 119.56 1wrs n ARG 21 Ca -0.02 0.40 0.37 0.00 -1.93 0.00 0.00 57.85 56.67 1wrs n ARG 21 Cb 0.18 -1.11 0.59 0.00 -1.16 0.00 0.00 32.46 30.96 1wrs n ARG 21 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1wrs n PHE 22 N -1.69 0.24 -0.06 -1.55 7.35 -1.14 -0.24 117.46 120.38 1wrs n PHE 22 Ca 0.00 0.24 -0.04 0.00 -0.76 0.00 0.00 57.45 56.90 1wrs n PHE 22 Cb 0.00 -0.64 -0.03 0.00 0.35 0.00 0.00 39.48 39.16 1wrs n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wrs h VAL 23 N 0.00 0.30 -0.75 -2.13 2.07 -1.50 -2.87 116.25 111.38 1wrs h VAL 23 Ca 0.72 -1.24 0.23 0.00 0.82 0.00 0.00 66.70 67.22 1wrs h VAL 23 Cb 2.64 0.58 -0.14 0.00 -1.52 0.00 0.00 31.29 32.85 1wrs h VAL 23 CO -0.16 0.10 0.10 -0.67 0.02 0.00 0.00 177.57 176.95 1wrs n ASP 24 N -4.72 -0.01 0.11 0.57 2.03 0.13 0.67 116.55 115.33 1wrs n ASP 24 Ca -0.04 1.26 -0.24 0.00 0.52 0.00 0.00 54.79 56.30 1wrs n ASP 24 Cb 0.14 -0.49 -0.15 0.00 -0.72 0.00 0.00 41.12 39.89 1wrs n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wrs h LEU 25 N 0.00 0.72 -0.89 -2.67 3.38 -1.61 -3.32 115.31 110.92 1wrs h LEU 25 Ca 0.49 -0.93 0.15 0.00 0.09 0.00 0.00 57.88 57.68 1wrs h LEU 25 Cb 1.09 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1wrs h LEU 25 CO -0.68 1.75 -0.30 -0.11 0.09 0.00 0.00 178.44 179.19 1wrs n LEU 26 N -3.67 -0.48 0.03 1.67 7.94 0.21 -0.97 117.00 121.73 1wrs n LEU 26 Ca -0.21 1.54 -0.13 0.00 -1.11 0.00 0.00 56.01 56.11 1wrs n LEU 26 Cb 1.08 -0.39 -0.09 0.00 0.53 0.00 0.00 43.42 44.55 1wrs n LEU 26 CO 0.56 -1.42 0.56 0.07 -1.11 0.00 0.00 177.39 176.05 1wrs h LYS 27 N 0.00 -0.12 -0.91 1.96 2.10 -1.66 -2.54 116.57 115.39 1wrs h LYS 27 Ca 0.35 0.01 0.25 0.00 -2.00 0.00 0.00 60.65 59.26 1wrs h LYS 27 Cb 0.57 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.88 1wrs h LYS 27 CO -0.89 0.33 0.64 -0.91 -2.00 0.00 0.00 179.45 176.62 1wrs h ASN 28 N -0.63 0.11 0.00 7.07 2.35 -1.34 -2.78 115.58 120.36 1wrs h ASN 28 Ca -0.01 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1wrs h ASN 28 Cb 0.51 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1wrs h ASN 28 CO 0.02 0.04 -0.34 0.00 -1.65 0.00 0.00 177.43 175.50 1wrs h ALA 29 N 1.57 0.06 -0.83 -0.83 0.00 -1.04 -3.38 119.26 114.81 1wrs h ALA 29 Ca 0.45 -0.55 0.15 0.00 0.00 0.00 0.00 54.91 54.97 1wrs h ALA 29 Cb 1.60 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.47 1wrs h ALA 29 CO -0.06 0.22 -0.24 0.98 0.00 0.00 0.00 179.25 180.15 1wrs n TYR 30 N -4.61 0.22 -0.45 0.00 9.36 -0.96 0.47 117.16 121.18 1wrs n TYR 30 Ca -0.12 1.01 0.38 0.00 3.32 0.00 0.00 57.90 62.49 1wrs n TYR 30 Cb 0.39 -0.93 0.64 0.00 -0.63 0.00 0.00 39.34 38.81 1wrs n TYR 30 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1wrs n GLN 31 N -5.31 -0.03 0.00 2.98 7.27 -1.19 -3.41 117.38 117.69 1wrs n GLN 31 Ca 0.12 1.16 0.00 0.00 0.07 0.00 0.00 57.00 58.35 1wrs n GLN 31 Cb 0.39 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.74 1wrs n GLN 31 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1wrs n ASN 32 N -4.52 0.00 0.00 1.69 2.85 0.18 -5.05 115.26 110.40 1wrs n ASN 32 Ca 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 1wrs n ASN 32 Cb 1.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.51 1wrs n ASN 32 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1wrs n ASP 33 N -1.34 0.00 -0.01 1.20 5.68 -1.03 -5.00 116.55 116.05 1wrs n ASP 33 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.39 1wrs n ASP 33 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wrs n LEU 34 N 0.00 0.07 -0.33 -2.12 7.99 -1.23 -4.45 117.00 116.93 1wrs n LEU 34 Ca 0.00 -0.04 0.16 0.00 -0.01 0.00 0.00 56.01 56.12 1wrs n LEU 34 Cb 0.00 0.00 0.36 0.00 -0.11 0.00 0.00 43.42 43.67 1wrs n LEU 34 CO 0.00 0.02 1.11 1.12 -1.51 0.00 0.00 177.39 178.12 1wrs h HIS 35 N 0.00 0.85 0.49 -1.77 2.07 -1.88 -1.47 115.15 113.43 1wrs h HIS 35 Ca 0.00 0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1wrs h HIS 35 Cb 0.92 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 30.68 1wrs h HIS 35 CO 0.00 0.00 -0.30 -0.07 -3.07 0.00 0.00 177.93 174.50 1wrs h LEU 36 N 0.49 -0.75 -1.78 6.12 3.38 -1.97 0.74 115.31 121.54 1wrs h LEU 36 Ca 0.61 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1wrs h LEU 36 Cb 1.17 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1wrs h LEU 36 CO -0.51 -0.46 0.16 1.55 0.09 0.00 0.00 178.44 179.27 1wrs h PRO 37 N -0.73 0.00 0.00 1.13 0.13 -1.76 -2.62 132.00 128.14 1wrs h PRO 37 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1wrs h PRO 37 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1wrs h PRO 37 CO 0.07 0.00 -0.22 1.25 -0.23 0.00 0.00 178.00 178.87 1wrs h LEU 38 N 0.00 0.00 -1.62 1.56 6.46 -0.20 -3.32 115.31 118.18 1wrs h LEU 38 Ca 0.00 -0.30 0.22 0.00 -0.12 0.00 0.00 57.88 57.67 1wrs h LEU 38 Cb 0.32 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 1wrs h LEU 38 CO 0.00 0.77 0.60 -0.07 -0.62 0.00 0.00 178.44 179.13 1wrs h LEU 39 N -1.00 0.31 -0.42 2.25 -0.00 -0.58 0.47 115.31 116.33 1wrs h LEU 39 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1wrs h LEU 39 Cb 0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1wrs h LEU 39 CO -0.02 0.12 0.34 -3.20 -0.00 0.00 0.00 178.44 175.67 1wrs n ASN 40 N -4.46 0.16 -0.02 -0.43 5.15 -1.02 -0.91 115.26 113.74 1wrs n ASN 40 Ca 0.19 0.39 -0.05 0.00 -0.60 0.00 0.00 54.58 54.51 1wrs n ASN 40 Cb 0.76 -0.34 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1wrs n LEU 41 N -1.69 1.32 -1.76 1.20 4.77 0.16 -4.65 117.00 116.35 1wrs n LEU 41 Ca -0.00 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1wrs n LEU 41 Cb 0.35 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1wrs n LEU 41 CO 0.03 -0.41 1.13 0.23 -1.33 0.00 0.00 177.39 177.04 1wrs n MET 42 N -3.81 1.58 -3.85 3.23 0.00 -1.02 -4.80 117.12 108.45 1wrs n MET 42 Ca -0.09 -1.15 -0.07 0.00 0.00 0.00 0.00 57.70 56.40 1wrs n MET 42 Cb 0.30 -1.45 -0.02 0.00 0.00 0.00 0.00 33.22 32.05 1wrs n MET 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1wrs s LEU 43 N -1.33 -0.24 0.00 4.03 2.96 -0.09 -4.94 118.68 119.08 1wrs s LEU 43 Ca 0.23 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1wrs s LEU 43 Cb 0.18 2.70 0.00 0.00 0.50 0.00 0.00 46.19 49.57 1wrs s LEU 43 CO 0.00 -1.34 0.00 0.41 -1.32 0.00 0.00 176.35 174.10 1wrs n THR 44 N -0.47 0.00 -0.06 3.68 -1.04 -1.26 -4.76 114.28 110.37 1wrs n THR 44 Ca -0.04 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.77 1wrs n THR 44 Cb 0.59 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.97 1wrs n THR 44 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1wrs n PRO 45 N 0.00 0.70 -0.04 -2.82 -0.04 -1.26 -3.85 135.00 127.69 1wrs n PRO 45 Ca 0.00 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1wrs n PRO 45 Cb 0.00 -1.61 0.43 0.00 -0.04 0.00 0.00 33.50 32.28 1wrs n PRO 45 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wrs h ASP 46 N 0.00 0.47 -0.16 3.54 3.32 -2.00 -1.26 116.42 120.33 1wrs h ASP 46 Ca -0.50 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1wrs h ASP 46 Cb 1.95 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 1wrs h ASP 46 CO -0.01 0.32 0.06 -0.33 -1.72 0.00 0.00 179.24 177.56 1wrs h GLU 47 N 0.54 0.23 -1.01 3.56 3.07 -1.98 -0.79 114.58 118.20 1wrs h GLU 47 Ca 0.20 -0.04 0.24 0.00 -0.50 0.00 0.00 59.36 59.25 1wrs h GLU 47 Cb 0.11 -0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 27.88 1wrs h GLU 47 CO -0.05 0.32 0.63 -0.09 -1.40 0.00 0.00 179.01 178.42 1wrs h ARG 48 N 0.10 0.50 0.00 2.33 9.65 -1.34 0.39 114.38 126.01 1wrs h ARG 48 Ca 0.05 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1wrs h ARG 48 Cb 0.17 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1wrs h ARG 48 CO -0.00 0.33 0.00 0.39 2.80 0.00 0.00 179.97 183.49 1wrs n GLU 49 N -4.71 0.00 -0.22 0.20 1.02 -0.87 -3.47 120.64 112.59 1wrs n GLU 49 Ca 0.25 0.34 0.02 0.00 -0.02 0.00 0.00 57.16 57.75 1wrs n GLU 49 Cb 0.77 -0.90 0.12 0.00 -0.02 0.00 0.00 31.44 31.41 1wrs n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wrs h ALA 50 N -2.00 0.66 -0.37 0.62 0.00 -1.10 -2.10 119.26 114.97 1wrs h ALA 50 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1wrs h ALA 50 Cb 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1wrs h ALA 50 CO 0.00 -0.40 -0.47 1.25 0.00 0.00 0.00 179.25 179.63 1wrs h LEU 51 N 0.11 -1.57 -0.67 0.00 6.46 -0.39 -0.79 115.31 118.45 1wrs h LEU 51 Ca 0.35 0.21 0.10 0.00 -0.12 0.00 0.00 57.88 58.42 1wrs h LEU 51 Cb 0.58 0.65 -0.08 0.00 -0.73 0.00 0.00 40.66 41.08 1wrs h LEU 51 CO -0.57 -0.33 0.28 1.23 -0.62 0.00 0.00 178.44 178.43 1wrs h GLY 52 N -0.31 0.97 0.00 3.75 0.00 -1.43 -1.61 103.07 104.44 1wrs h GLY 52 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1wrs h GLY 52 CO -0.51 -0.01 0.00 2.41 0.00 0.00 0.00 176.54 178.42 1wrs n THR 53 N -4.96 0.00 0.17 4.70 -1.04 -0.39 -0.18 114.28 112.58 1wrs n THR 53 Ca 0.10 0.83 0.11 0.00 -2.04 0.00 0.00 64.05 63.05 1wrs n THR 53 Cb 0.30 -1.64 0.26 0.00 -1.82 0.00 0.00 70.33 67.43 1wrs n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1wrs h ARG 54 N 0.00 0.00 0.22 -2.82 3.08 -1.36 1.02 114.38 114.52 1wrs h ARG 54 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1wrs h ARG 54 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1wrs h ARG 54 CO 0.00 0.00 -1.51 0.28 -1.07 0.00 0.00 179.97 177.67 1wrs h VAL 55 N 0.00 1.18 0.02 2.04 2.07 -0.75 -2.77 116.25 118.04 1wrs h VAL 55 Ca 0.15 -2.61 -0.23 0.00 0.82 0.00 0.00 66.70 64.83 1wrs h VAL 55 Cb 2.05 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 34.75 1wrs h VAL 55 CO -0.00 0.81 -1.14 0.08 0.02 0.00 0.00 177.57 177.34 1wrs h ARG 56 N 0.06 0.05 0.13 1.57 -0.00 0.44 -2.90 114.38 113.73 1wrs h ARG 56 Ca -0.28 -0.08 -0.24 0.00 -0.00 0.00 0.00 59.98 59.38 1wrs h ARG 56 Cb 2.08 0.03 0.03 0.00 -0.00 0.00 0.00 29.97 32.11 1wrs h ARG 56 CO 0.22 0.98 -1.01 0.97 -0.00 0.00 0.00 179.97 181.13 1wrs h ILE 57 N 0.01 1.40 -0.05 0.08 2.10 -1.37 -2.40 117.51 117.28 1wrs h ILE 57 Ca -0.07 -2.46 -0.00 0.00 1.08 0.00 0.00 64.86 63.41 1wrs h ILE 57 Cb 1.84 2.93 -0.00 0.00 -1.09 0.00 0.00 36.82 40.50 1wrs h ILE 57 CO 0.14 0.72 0.03 1.62 -1.08 0.00 0.00 178.15 179.57 1wrs h VAL 58 N -0.06 1.09 0.00 2.19 3.04 -1.60 -0.90 116.25 120.01 1wrs h VAL 58 Ca -0.16 -0.27 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 1wrs h VAL 58 Cb 1.75 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 1wrs h VAL 58 CO 0.19 0.08 -0.28 1.05 -1.01 0.00 0.00 177.57 177.60 1wrs h GLU 59 N -0.03 0.00 -0.12 4.17 4.11 -1.62 -1.61 114.58 119.48 1wrs h GLU 59 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.34 1wrs h GLU 59 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1wrs h GLU 59 CO -0.00 0.28 -0.33 0.93 0.07 0.00 0.00 179.01 179.96 1wrs h GLU 60 N 0.00 0.44 -0.00 1.06 4.39 -1.04 -3.18 114.58 116.25 1wrs h GLU 60 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1wrs h GLU 60 Cb 0.56 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1wrs h GLU 60 CO 0.04 0.92 -0.09 1.28 -1.16 0.00 0.00 179.01 180.00 1wrs n LEU 61 N -4.38 0.20 0.00 1.33 4.77 -0.38 -3.54 117.00 115.00 1wrs n LEU 61 Ca -0.07 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 1wrs n LEU 61 Cb 0.50 -0.31 0.29 0.00 -2.33 0.00 0.00 43.42 41.57 1wrs n LEU 61 CO 0.43 0.04 0.53 -0.11 -1.33 0.00 0.00 177.39 176.95 1wrs n LEU 62 N -1.27 0.00 -0.98 2.23 7.94 -0.62 -1.59 117.00 122.71 1wrs n LEU 62 Ca 0.11 0.04 0.10 0.00 -1.11 0.00 0.00 56.01 55.15 1wrs n LEU 62 Cb 0.29 -0.04 0.26 0.00 0.53 0.00 0.00 43.42 44.46 1wrs n LEU 62 CO 0.26 -0.03 0.72 0.54 -1.11 0.00 0.00 177.39 177.77 1wrs n ARG 63 N -1.04 2.26 -1.16 1.96 1.74 -1.23 -4.92 116.66 114.27 1wrs n ARG 63 Ca 0.07 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 1wrs n ARG 63 Cb 0.04 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wrs n GLY 64 N 1.38 0.00 0.29 -0.13 0.00 -0.62 -4.63 105.19 101.48 1wrs n GLY 64 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1wrs n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wrs h GLU 65 N 0.00 0.69 -4.44 1.61 4.39 -1.91 -3.44 114.58 111.47 1wrs h GLU 65 Ca 0.00 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.36 1wrs h GLU 65 Cb 0.00 -0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 28.40 1wrs h GLU 65 CO 0.00 0.66 -0.63 -1.64 -1.16 0.00 0.00 179.01 176.24 1wrs s MET 66 N -5.10 0.98 -0.38 2.33 -1.94 -1.26 -5.11 119.30 108.83 1wrs s MET 66 Ca -0.09 -1.47 -0.00 0.00 -1.71 0.00 0.00 55.69 52.42 1wrs s MET 66 Cb 0.15 0.25 0.26 0.00 2.01 0.00 0.00 34.83 37.50 1wrs s MET 66 CO 0.78 -0.29 1.12 0.45 -0.01 0.00 0.00 175.02 177.08 1wrs n SER 67 N -0.13 -1.79 0.00 3.03 2.88 -1.26 -5.02 113.62 111.34 1wrs n SER 67 Ca -0.04 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.34 1wrs n SER 67 Cb 0.64 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs n GLN 68 N 1.66 0.00 -0.61 -1.46 10.64 -1.26 -4.90 117.38 121.45 1wrs n GLN 68 Ca 0.04 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.15 1wrs n GLN 68 Cb 0.68 0.00 0.15 0.00 -0.86 0.00 0.00 30.24 30.21 1wrs n GLN 68 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1wrs n ARG 69 N 0.00 2.27 -0.74 2.61 3.00 -1.26 -3.54 116.66 119.01 1wrs n ARG 69 Ca 0.00 -1.70 0.05 0.00 -0.00 0.00 0.00 57.85 56.20 1wrs n ARG 69 Cb 0.00 -1.76 0.10 0.00 0.00 0.00 0.00 32.46 30.80 1wrs n ARG 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1wrs n GLU 70 N -0.12 0.79 0.08 -0.14 -0.58 -1.26 -4.60 120.64 114.80 1wrs n GLU 70 Ca 0.26 -2.38 0.11 0.00 -0.42 0.00 0.00 57.16 54.74 1wrs n GLU 70 Cb 1.01 -0.93 -0.03 0.00 -0.57 0.00 0.00 31.44 30.92 1wrs n GLU 70 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wrs n LEU 71 N -0.52 0.67 0.07 -4.62 4.77 -1.23 -4.35 117.00 111.79 1wrs n LEU 71 Ca 0.11 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1wrs n LEU 71 Cb 0.82 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1wrs n LEU 71 CO -0.02 -0.14 -0.06 0.29 -1.33 0.00 0.00 177.39 176.13 1wrs n LYS 72 N -2.55 0.00 0.00 3.23 5.02 -1.26 -4.79 118.16 117.81 1wrs n LYS 72 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 1wrs n LYS 72 Cb 0.55 -0.14 0.47 0.00 -0.02 0.00 0.00 35.03 35.89 1wrs n LYS 72 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wrs n ASN 73 N -3.12 0.00 -0.27 4.39 4.13 -1.26 -2.57 115.26 116.55 1wrs n ASN 73 Ca 0.00 -0.79 0.07 0.00 1.68 0.00 0.00 54.58 55.54 1wrs n ASN 73 Cb 0.06 0.00 0.22 0.00 -1.54 0.00 0.00 39.78 38.52 1wrs n ASN 73 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1wrs h GLU 74 N 0.00 0.44 0.00 3.52 -0.00 -1.81 -2.85 114.58 113.88 1wrs h GLU 74 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 59.36 59.20 1wrs h GLU 74 Cb 0.00 -0.10 -0.29 0.00 -0.00 0.00 0.00 28.75 28.36 1wrs h GLU 74 CO 0.00 0.29 -0.89 -0.11 -0.00 0.00 0.00 179.01 178.31 1wrs n LEU 75 N -5.00 1.16 -1.69 3.06 7.94 -1.19 -4.99 117.00 116.29 1wrs n LEU 75 Ca 0.16 -2.18 -0.05 0.00 -1.11 0.00 0.00 56.01 52.83 1wrs n LEU 75 Cb 0.47 -0.08 -0.01 0.00 0.53 0.00 0.00 43.42 44.33 1wrs n LEU 75 CO 0.17 0.60 -0.02 0.61 -1.11 0.00 0.00 177.39 177.65 1wrs n GLY 76 N 0.19 -0.07 0.00 -3.96 0.00 -1.06 -4.74 105.19 95.54 1wrs n GLY 76 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1wrs n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrs n ALA 77 N -0.90 0.00 0.00 4.61 0.00 -1.26 -5.03 120.51 117.94 1wrs n ALA 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wrs n ALA 77 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1wrs n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wrs n GLY 78 N 2.16 1.00 0.78 0.00 0.00 -1.26 -4.98 105.19 102.90 1wrs n GLY 78 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1wrs n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wrs n ILE 79 N -0.10 0.32 -0.07 -0.61 2.08 -1.26 -2.48 119.36 117.25 1wrs n ILE 79 Ca 0.00 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 1wrs n ILE 79 Cb 0.00 -0.57 -0.07 0.00 -0.75 0.00 0.00 39.64 38.26 1wrs n ILE 79 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wrs n ALA 80 N 0.49 1.70 -0.07 -1.39 0.00 -1.26 -4.55 120.51 115.44 1wrs n ALA 80 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.78 1wrs n ALA 80 Cb 0.22 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 1wrs n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wrs n THR 81 N -2.89 1.29 0.13 0.00 -2.24 -1.04 -4.25 114.28 105.27 1wrs n THR 81 Ca -0.25 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1wrs n THR 81 Cb 0.77 -2.27 0.35 0.00 -2.10 0.00 0.00 70.33 67.07 1wrs n THR 81 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1wrs h ILE 82 N -0.88 0.04 0.00 2.28 -0.00 -1.83 -2.42 117.51 114.69 1wrs h ILE 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1wrs h ILE 82 Cb 0.66 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 37.65 1wrs h ILE 82 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 178.15 178.50 1wrs n THR 83 N -2.93 0.00 -0.00 0.16 -2.24 -1.26 -2.84 114.28 105.17 1wrs n THR 83 Ca 0.08 0.89 0.23 0.00 -2.27 0.00 0.00 64.05 62.98 1wrs n THR 83 Cb 1.04 -1.88 0.69 0.00 -2.10 0.00 0.00 70.33 68.08 1wrs n THR 83 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wrs h ARG 84 N 0.00 0.00 -0.74 -0.78 -0.00 -1.72 0.33 114.38 111.46 1wrs h ARG 84 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 59.98 60.15 1wrs h ARG 84 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 29.84 1wrs h ARG 84 CO 0.00 0.00 0.03 0.78 -0.00 0.00 0.00 179.97 180.78 1wrs h GLY 85 N 0.00 0.87 0.00 0.08 0.00 -1.29 -2.84 103.07 99.89 1wrs h GLY 85 Ca 0.28 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1wrs h GLY 85 CO -0.00 -0.27 -0.78 -1.26 0.00 0.00 0.00 176.54 174.23 1wrs n SER 86 N -5.31 1.10 -0.29 0.19 2.88 -0.06 -3.93 113.62 108.19 1wrs n SER 86 Ca 0.14 0.17 0.03 0.00 -1.33 0.00 0.00 58.87 57.88 1wrs n SER 86 Cb 0.47 -0.39 0.11 0.00 -0.75 0.00 0.00 64.21 63.65 1wrs n SER 86 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wrs h ASN 87 N -0.32 -0.75 0.00 -3.46 2.35 -1.24 -3.43 115.58 108.73 1wrs h ASN 87 Ca -0.09 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1wrs h ASN 87 Cb 0.66 0.51 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1wrs h ASN 87 CO -0.05 -0.27 0.00 -0.24 -1.65 0.00 0.00 177.43 175.21 1wrs n SER 88 N -5.53 0.00 -1.73 5.81 2.88 -1.07 -3.67 113.62 110.31 1wrs n SER 88 Ca 0.12 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.61 1wrs n SER 88 Cb 0.43 -2.06 -0.01 0.00 -0.75 0.00 0.00 64.21 61.82 1wrs n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wrs n LEU 89 N 0.00 -0.11 -0.41 2.46 7.99 -1.26 -2.48 117.00 123.19 1wrs n LEU 89 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 1wrs n LEU 89 Cb 0.00 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1wrs n LEU 89 CO 0.00 0.01 0.00 1.17 -1.51 0.00 0.00 177.39 177.06 1wrs n LYS 90 N -1.25 -0.71 0.21 3.23 3.00 -1.24 -4.56 118.16 116.84 1wrs n LYS 90 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.43 1wrs n LYS 90 Cb 0.18 -0.33 0.16 0.00 0.00 0.00 0.00 35.03 35.04 1wrs n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wrs h ALA 91 N 1.57 0.96 -2.26 3.14 0.00 -1.86 -3.46 119.26 117.36 1wrs h ALA 91 Ca 0.00 -0.06 -0.51 0.00 0.00 0.00 0.00 54.91 54.34 1wrs h ALA 91 Cb 0.04 -0.01 0.19 0.00 0.00 0.00 0.00 17.79 18.02 1wrs h ALA 91 CO 0.00 0.08 0.21 0.00 0.00 0.00 0.00 179.25 179.54 1wrs s ALA 92 N -3.18 1.31 1.15 0.00 0.00 -1.26 -4.96 121.76 114.81 1wrs s ALA 92 Ca 0.07 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 1wrs s ALA 92 Cb 0.05 -3.42 0.25 0.00 0.00 0.00 0.00 23.12 20.00 1wrs s ALA 92 CO 0.68 -2.82 0.82 -0.35 0.00 0.00 0.00 175.76 174.09 1wrs n PRO 93 N -4.27 -2.18 0.04 0.00 -0.04 -1.26 -4.95 135.00 122.34 1wrs n PRO 93 Ca 0.11 -0.61 0.03 0.00 -0.04 0.00 0.00 63.50 62.99 1wrs n PRO 93 Cb 0.52 -2.08 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 1wrs n PRO 93 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wrs n VAL 94 N -4.83 0.96 0.39 0.52 0.31 -1.26 -3.83 118.33 110.58 1wrs n VAL 94 Ca 0.03 -0.65 0.05 0.00 -0.01 0.00 0.00 64.34 63.76 1wrs n VAL 94 Cb 0.55 -0.56 0.23 0.00 -0.91 0.00 0.00 33.84 33.16 1wrs n VAL 94 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1wrs n GLU 95 N -2.77 0.03 -0.05 5.55 2.13 -1.26 -2.85 120.64 121.41 1wrs n GLU 95 Ca -0.08 0.29 -0.12 0.00 0.66 0.00 0.00 57.16 57.92 1wrs n GLU 95 Cb 0.76 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.91 1wrs n GLU 95 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1wrs h LEU 96 N 0.00 0.25 -1.85 4.31 6.46 -1.95 -2.87 115.31 119.66 1wrs h LEU 96 Ca 0.00 -0.32 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1wrs h LEU 96 Cb 0.17 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1wrs h LEU 96 CO 0.00 0.51 0.18 0.03 -0.62 0.00 0.00 178.44 178.53 1wrs h ARG 97 N -0.01 0.19 0.00 1.25 -0.00 -1.79 0.28 114.38 114.31 1wrs h ARG 97 Ca 0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1wrs h ARG 97 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.31 1wrs h ARG 97 CO 0.01 0.13 0.00 1.96 0.00 0.00 0.00 179.97 182.07 1wrs h GLN 98 N 0.20 0.00 0.00 0.04 1.08 -1.66 -3.30 115.11 111.48 1wrs h GLN 98 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1wrs h GLN 98 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1wrs h GLN 98 CO -0.02 0.00 0.00 1.87 -0.95 0.00 0.00 178.83 179.73 1wrs n TRP 99 N -3.05 0.00 -0.31 2.96 -0.00 0.00 -4.59 117.44 112.46 1wrs n TRP 99 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.54 1wrs n TRP 99 Cb 0.39 -0.09 0.07 0.00 -0.00 0.00 0.00 31.31 31.67 1wrs n TRP 99 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1wrs n LEU 100 N -2.38 -0.44 -0.23 5.87 7.99 -0.68 0.13 117.00 127.26 1wrs n LEU 100 Ca 0.00 1.44 0.18 0.00 -0.01 0.00 0.00 56.01 57.62 1wrs n LEU 100 Cb 0.00 -0.37 0.34 0.00 -0.11 0.00 0.00 43.42 43.28 1wrs n LEU 100 CO 0.00 -1.33 0.68 -0.62 -1.51 0.00 0.00 177.39 174.61 1wrs n GLU 101 N -5.28 -0.05 0.02 3.23 1.02 -1.24 0.28 120.64 118.63 1wrs n GLU 101 Ca 0.11 0.98 -0.07 0.00 -0.02 0.00 0.00 57.16 58.15 1wrs n GLU 101 Cb 0.37 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 1wrs n GLU 101 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wrs h GLU 102 N 0.00 0.00 0.15 3.49 3.07 0.78 -2.99 114.58 119.08 1wrs h GLU 102 Ca 0.54 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.10 1wrs h GLU 102 Cb 1.34 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.26 1wrs h GLU 102 CO -0.57 0.72 -1.34 0.28 -1.40 0.00 0.00 179.01 176.70 1wrs h VAL 103 N 0.00 1.40 0.41 3.13 2.07 0.47 -3.21 116.25 120.52 1wrs h VAL 103 Ca -0.15 -2.96 -0.02 0.00 0.82 0.00 0.00 66.70 64.40 1wrs h VAL 103 Cb 1.87 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 34.58 1wrs h VAL 103 CO 0.10 0.87 -0.20 -0.07 0.02 0.00 0.00 177.57 178.29 1wrs h LEU 104 N 0.09 -0.47 0.00 2.57 3.38 -0.09 -1.37 115.31 119.42 1wrs h LEU 104 Ca -0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1wrs h LEU 104 Cb 2.02 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.89 1wrs h LEU 104 CO 0.21 -0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1wrs n LEU 105 N -5.15 0.00 0.17 1.67 4.77 -1.13 -3.08 117.00 114.26 1wrs n LEU 105 Ca -0.08 0.97 -0.16 0.00 -0.03 0.00 0.00 56.01 56.71 1wrs n LEU 105 Cb 0.26 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1wrs n LEU 105 CO 0.22 -0.47 0.52 0.11 -1.33 0.00 0.00 177.39 176.44 1wrs h LYS 106 N 0.00 -0.76 0.00 3.23 6.56 -1.71 -3.52 116.57 120.38 1wrs h LYS 106 Ca 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1wrs h LYS 106 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1wrs h LYS 106 CO 0.00 -0.51 0.00 -1.13 -2.06 0.00 0.00 179.45 175.75