#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 -1.30 -0.13 2.61 2.88 -1.26 -4.97 113.62 111.45 1wrs n SER 5 Ca 0.00 -3.06 -0.05 0.00 -1.33 0.00 0.00 58.87 54.43 1wrs n SER 5 Cb 0.00 0.63 0.14 0.00 -0.75 0.00 0.00 64.21 64.23 1wrs n SER 5 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1wrs h PRO 6 N 3.85 0.84 -7.11 -1.46 0.14 -2.11 -3.43 132.00 122.71 1wrs h PRO 6 Ca -0.04 -0.23 -0.49 0.00 0.14 0.00 0.00 66.00 65.38 1wrs h PRO 6 Cb 0.97 -0.10 0.06 0.00 0.14 0.00 0.00 31.00 32.07 1wrs h PRO 6 CO 0.38 0.83 0.41 -0.47 0.14 0.00 0.00 178.00 179.29 1wrs s TYR 7 N -5.02 2.78 0.00 1.56 6.14 -1.26 -5.03 117.35 116.52 1wrs s TYR 7 Ca -0.10 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.16 1wrs s TYR 7 Cb 0.15 -3.19 0.00 0.00 0.42 0.00 0.00 41.96 39.34 1wrs s TYR 7 CO 0.82 -1.36 0.00 -1.13 0.64 0.00 0.00 175.55 174.52 1wrs n SER 8 N -1.47 -0.89 -2.24 4.32 3.41 -1.26 -5.03 113.62 110.47 1wrs n SER 8 Ca 0.11 -0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 58.61 1wrs n SER 8 Cb 0.52 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wrs n ALA 9 N -3.00 0.76 -0.67 7.33 0.00 -1.26 -4.94 120.51 118.72 1wrs n ALA 9 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 1wrs n ALA 9 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1wrs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs n ALA 10 N -0.88 -0.03 -1.25 0.00 0.00 -1.26 -4.88 120.51 112.22 1wrs n ALA 10 Ca -0.11 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1wrs n ALA 10 Cb 0.73 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 19.37 1wrs n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs s MET 11 N -1.39 2.15 0.05 0.00 0.23 -1.26 -4.97 119.30 114.11 1wrs s MET 11 Ca 0.00 1.14 -0.35 0.00 -1.03 0.00 0.00 55.69 55.46 1wrs s MET 11 Cb 0.00 -1.89 -0.19 0.00 -1.53 0.00 0.00 34.83 31.22 1wrs s MET 11 CO 0.00 -1.71 1.45 0.00 -2.03 0.00 0.00 175.02 172.73 1wrs h ALA 12 N -1.18 -1.26 -1.46 3.16 0.00 -2.06 -3.47 119.26 112.99 1wrs h ALA 12 Ca -0.44 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.30 1wrs h ALA 12 Cb 1.24 0.48 -0.26 0.00 0.00 0.00 0.00 17.79 19.25 1wrs h ALA 12 CO 0.51 -1.17 0.60 -2.00 0.00 0.00 0.00 179.25 177.19 1wrs s GLU 13 N -5.61 0.44 -0.12 0.00 2.12 -1.26 -5.13 118.70 109.14 1wrs s GLU 13 Ca -0.18 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 1wrs s GLU 13 Cb 0.02 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 1wrs s GLU 13 CO 0.55 -0.10 1.27 1.14 -0.54 0.00 0.00 175.26 177.57 1wrs s GLN 14 N -0.53 4.26 -0.30 4.30 0.00 -1.26 -4.89 119.66 121.25 1wrs s GLN 14 Ca 0.02 1.70 0.20 0.00 -0.00 0.00 0.00 55.36 57.28 1wrs s GLN 14 Cb -0.03 -3.71 0.48 0.00 0.00 0.00 0.00 33.01 29.76 1wrs s GLN 14 CO -0.04 -0.64 1.03 2.89 0.00 0.00 0.00 175.29 178.53 1wrs n ARG 15 N 6.20 1.39 0.00 9.60 1.85 -1.26 -4.81 116.66 129.63 1wrs n ARG 15 Ca 0.13 -3.32 0.00 0.00 -1.00 0.00 0.00 57.85 53.66 1wrs n ARG 15 Cb 0.45 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1wrs n ARG 15 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1wrs n HIS 16 N -0.31 0.00 0.00 2.89 -0.00 -1.26 -4.92 115.22 111.62 1wrs n HIS 16 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1wrs n HIS 16 Cb 0.81 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.68 1wrs n HIS 16 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wrs n GLN 17 N 0.00 0.00 -0.36 1.57 6.02 -1.26 -3.02 117.38 120.33 1wrs n GLN 17 Ca 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 57.00 57.30 1wrs n GLN 17 Cb 0.00 -0.15 0.64 0.00 1.02 0.00 0.00 30.24 31.75 1wrs n GLN 17 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1wrs h GLU 18 N 0.00 0.17 0.12 -1.09 -0.00 -1.96 0.17 114.58 112.00 1wrs h GLU 18 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 59.36 59.36 1wrs h GLU 18 Cb 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 28.67 1wrs h GLU 18 CO 0.00 0.12 -0.45 2.35 -0.00 0.00 0.00 179.01 181.02 1wrs h TRP 19 N 0.18 -1.31 -0.87 2.06 2.91 -1.92 -1.98 115.95 115.03 1wrs h TRP 19 Ca 0.63 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.76 1wrs h TRP 19 Cb 2.05 0.55 -0.07 0.00 -0.51 0.00 0.00 29.16 31.19 1wrs h TRP 19 CO -0.00 -0.52 0.53 -0.07 -1.03 0.00 0.00 178.44 177.35 1wrs h LEU 20 N -0.66 0.80 -0.33 0.65 3.38 -0.59 -2.91 115.31 115.65 1wrs h LEU 20 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1wrs h LEU 20 Cb 0.66 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1wrs h LEU 20 CO -0.23 0.49 -0.32 0.03 0.09 0.00 0.00 178.44 178.49 1wrs h ARG 21 N 0.93 -0.16 -1.00 1.13 2.47 -0.67 1.63 114.38 118.71 1wrs h ARG 21 Ca 0.39 0.01 0.41 0.00 -1.26 0.00 0.00 59.98 59.53 1wrs h ARG 21 Cb 0.26 0.04 -0.18 0.00 -1.65 0.00 0.00 29.97 28.43 1wrs h ARG 21 CO -0.20 -0.10 0.51 0.35 0.56 0.00 0.00 179.97 181.08 1wrs h PHE 22 N -0.16 0.78 0.00 3.04 3.57 -1.30 0.34 116.94 123.21 1wrs h PHE 22 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1wrs h PHE 22 Cb 0.31 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1wrs h PHE 22 CO -0.77 -0.46 0.00 0.28 -2.23 0.00 0.00 178.31 175.13 1wrs n VAL 23 N -5.26 0.00 -0.53 1.41 0.31 0.28 -2.61 118.33 111.93 1wrs n VAL 23 Ca 0.37 0.30 0.41 0.00 -0.01 0.00 0.00 64.34 65.40 1wrs n VAL 23 Cb 1.24 -0.90 0.65 0.00 -0.91 0.00 0.00 33.84 33.92 1wrs n VAL 23 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1wrs n ASP 24 N -1.41 0.06 -0.03 4.52 -0.08 0.48 0.20 116.55 120.29 1wrs n ASP 24 Ca 0.00 0.95 -0.13 0.00 -1.51 0.00 0.00 54.79 54.10 1wrs n ASP 24 Cb 0.00 -0.47 -0.11 0.00 2.34 0.00 0.00 41.12 42.88 1wrs n ASP 24 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1wrs h LEU 25 N 0.00 0.02 -0.03 -2.67 5.85 -0.45 -3.25 115.31 114.78 1wrs h LEU 25 Ca 0.77 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1wrs h LEU 25 Cb 2.89 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 43.86 1wrs h LEU 25 CO -0.15 0.69 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.05 1wrs h LEU 26 N -0.65 -1.65 -2.18 2.25 4.07 0.25 -0.66 115.31 116.74 1wrs h LEU 26 Ca -0.00 0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.17 1wrs h LEU 26 Cb 0.69 0.63 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 1wrs h LEU 26 CO 0.00 -0.51 0.28 0.07 -1.08 0.00 0.00 178.44 177.20 1wrs h LYS 27 N -0.65 0.00 0.00 1.13 2.10 -1.60 0.99 116.57 118.54 1wrs h LYS 27 Ca 0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 1wrs h LYS 27 Cb 0.71 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1wrs h LYS 27 CO -0.37 0.00 -1.07 -0.91 -2.00 0.00 0.00 179.45 175.10 1wrs h ASN 28 N 0.00 0.00 0.23 7.07 2.35 -1.18 -3.37 115.58 120.68 1wrs h ASN 28 Ca 0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.46 1wrs h ASN 28 Cb 0.59 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.90 1wrs h ASN 28 CO -0.00 0.11 -2.06 0.00 -1.65 0.00 0.00 177.43 173.83 1wrs n ALA 29 N -2.22 1.52 -0.12 -0.83 0.00 0.14 -4.33 120.51 114.68 1wrs n ALA 29 Ca -0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.24 1wrs n ALA 29 Cb 0.61 -0.50 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1wrs n ALA 29 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wrs h TYR 30 N 0.00 -1.45 0.00 0.00 5.03 -1.17 1.65 116.97 121.04 1wrs h TYR 30 Ca -0.42 0.07 0.00 0.00 2.58 0.00 0.00 58.73 60.96 1wrs h TYR 30 Cb 2.12 0.69 0.00 0.00 1.55 0.00 0.00 36.73 41.08 1wrs h TYR 30 CO 0.00 -0.47 0.16 1.96 -1.32 0.00 0.00 178.16 178.48 1wrs h GLN 31 N -0.39 0.00 0.00 1.82 1.08 -1.78 0.30 115.11 116.15 1wrs h GLN 31 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1wrs h GLN 31 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1wrs h GLN 31 CO -0.56 0.00 -1.62 -1.71 -0.95 0.00 0.00 178.83 173.98 1wrs n ASN 32 N -2.71 0.33 -0.14 1.46 4.05 0.39 -4.97 115.26 113.66 1wrs n ASN 32 Ca -0.02 -0.20 -0.01 0.00 0.45 0.00 0.00 54.58 54.79 1wrs n ASN 32 Cb 0.20 1.56 -0.00 0.00 1.23 0.00 0.00 39.78 42.77 1wrs n ASN 32 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1wrs n ASP 33 N -2.10 -1.79 -0.00 1.20 8.00 0.47 -4.91 116.55 117.41 1wrs n ASP 33 Ca -0.01 0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1wrs n ASP 33 Cb 0.51 -0.78 -0.11 0.00 -0.02 0.00 0.00 41.12 40.71 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wrs n LEU 34 N -0.18 0.50 0.11 0.64 7.99 -0.81 -4.42 117.00 120.83 1wrs n LEU 34 Ca -0.02 -0.31 0.20 0.00 -0.01 0.00 0.00 56.01 55.87 1wrs n LEU 34 Cb 0.39 0.00 0.71 0.00 -0.11 0.00 0.00 43.42 44.42 1wrs n LEU 34 CO 0.02 0.13 1.18 1.12 -1.51 0.00 0.00 177.39 178.32 1wrs h HIS 35 N 0.00 0.00 0.29 -1.77 2.07 -1.87 -2.12 115.15 111.75 1wrs h HIS 35 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1wrs h HIS 35 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1wrs h HIS 35 CO 0.00 0.00 -0.14 -0.07 -3.07 0.00 0.00 177.93 174.65 1wrs h LEU 36 N 0.00 -0.33 -1.64 6.12 3.38 -1.94 0.96 115.31 121.87 1wrs h LEU 36 Ca 0.19 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.37 1wrs h LEU 36 Cb 1.20 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 1wrs h LEU 36 CO -0.00 -0.07 0.57 1.55 0.09 0.00 0.00 178.44 180.58 1wrs h PRO 37 N -0.71 0.30 -0.14 1.13 0.13 -1.80 -0.52 132.00 130.39 1wrs h PRO 37 Ca -0.04 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1wrs h PRO 37 Cb 0.30 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.37 1wrs h PRO 37 CO 0.07 0.20 -0.67 -0.07 -0.23 0.00 0.00 178.00 177.30 1wrs h LEU 38 N 0.31 0.84 -0.74 1.56 3.38 -1.40 -3.19 115.31 116.07 1wrs h LEU 38 Ca 0.43 -0.63 0.14 0.00 0.09 0.00 0.00 57.88 57.91 1wrs h LEU 38 Cb 1.19 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 1wrs h LEU 38 CO -0.13 1.33 0.28 -0.07 0.09 0.00 0.00 178.44 179.94 1wrs h LEU 39 N 0.40 0.25 -0.09 1.67 4.07 0.88 0.96 115.31 123.45 1wrs h LEU 39 Ca -0.04 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1wrs h LEU 39 Cb 1.30 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1wrs h LEU 39 CO 0.14 0.10 0.00 0.59 -1.08 0.00 0.00 178.44 178.19 1wrs n ASN 40 N -5.01 0.05 -0.03 -0.43 4.13 -1.05 -2.96 115.26 109.96 1wrs n ASN 40 Ca 0.14 -1.19 -0.05 0.00 1.68 0.00 0.00 54.58 55.16 1wrs n ASN 40 Cb 0.40 -0.03 -0.02 0.00 -1.54 0.00 0.00 39.78 38.60 1wrs n ASN 40 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1wrs n LEU 41 N -0.44 1.38 -2.32 3.41 7.94 0.33 -4.72 117.00 122.58 1wrs n LEU 41 Ca 0.00 0.22 -0.34 0.00 -1.11 0.00 0.00 56.01 54.78 1wrs n LEU 41 Cb 0.01 -0.56 0.09 0.00 0.53 0.00 0.00 43.42 43.49 1wrs n LEU 41 CO 0.00 -0.45 1.44 0.23 -1.11 0.00 0.00 177.39 177.50 1wrs n MET 42 N -3.86 2.67 0.00 1.96 0.00 -1.07 -4.88 117.12 111.95 1wrs n MET 42 Ca -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 57.70 54.35 1wrs n MET 42 Cb 0.28 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.22 1wrs n MET 42 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1wrs n LEU 43 N -0.93 0.00 0.00 4.03 0.00 -1.15 -4.96 117.00 113.98 1wrs n LEU 43 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.64 1wrs n LEU 43 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.15 1wrs n LEU 43 CO 0.78 0.00 0.00 1.07 0.00 0.00 0.00 177.39 179.24 1wrs n THR 44 N 0.00 0.00 0.00 1.96 5.66 -1.26 -3.91 114.28 116.72 1wrs n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wrs n THR 44 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wrs n THR 44 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1wrs n PRO 45 N 0.00 0.00 0.20 1.09 -0.04 -1.26 -3.66 135.00 131.33 1wrs n PRO 45 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1wrs n PRO 45 Cb 0.00 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.16 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 0.00 0.36 3.54 5.19 -2.00 -2.49 116.42 121.02 1wrs h ASP 46 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1wrs h ASP 46 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1wrs h ASP 46 CO 0.00 0.00 -0.17 -0.33 -3.12 0.00 0.00 179.24 175.62 1wrs h GLU 47 N 0.00 -0.47 -0.98 3.56 5.08 -1.97 -1.87 114.58 117.94 1wrs h GLU 47 Ca 0.00 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1wrs h GLU 47 Cb 0.06 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 1wrs h GLU 47 CO 0.00 -0.17 0.61 -0.09 -1.00 0.00 0.00 179.01 178.36 1wrs h ARG 48 N -1.01 0.97 0.31 2.33 2.43 -1.52 0.70 114.38 118.59 1wrs h ARG 48 Ca -0.05 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1wrs h ARG 48 Cb 0.51 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1wrs h ARG 48 CO 0.08 0.64 -0.15 0.93 -1.51 0.00 0.00 179.97 179.96 1wrs h GLU 49 N 0.99 -0.40 -0.25 0.20 5.08 -1.54 -3.02 114.58 115.64 1wrs h GLU 49 Ca 0.47 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.82 1wrs h GLU 49 Cb 0.42 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1wrs h GLU 49 CO -0.25 -0.27 -0.00 0.00 -1.00 0.00 0.00 179.01 177.49 1wrs h ALA 50 N -1.73 1.53 -0.83 3.43 0.00 -1.26 0.53 119.26 120.93 1wrs h ALA 50 Ca -0.04 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 54.95 1wrs h ALA 50 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1wrs h ALA 50 CO 0.07 0.35 0.66 1.25 0.00 0.00 0.00 179.25 181.58 1wrs h LEU 51 N 0.37 0.00 0.20 0.00 6.46 0.39 0.70 115.31 123.43 1wrs h LEU 51 Ca 0.08 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.51 1wrs h LEU 51 Cb 0.25 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1wrs h LEU 51 CO 0.01 0.00 -1.60 1.23 -0.62 0.00 0.00 178.44 177.45 1wrs h GLY 52 N 0.00 0.49 0.50 3.75 0.00 -0.76 -3.04 103.07 104.00 1wrs h GLY 52 Ca 0.40 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 1wrs h GLY 52 CO -0.00 1.09 -0.49 0.00 0.00 0.00 0.00 176.54 177.14 1wrs h THR 53 N 0.12 0.00 -0.78 4.70 1.03 -0.57 1.14 112.91 118.54 1wrs h THR 53 Ca -0.29 0.00 0.18 0.00 -0.01 0.00 0.00 66.41 66.29 1wrs h THR 53 Cb 2.11 0.00 -0.12 0.00 -1.07 0.00 0.00 68.15 69.08 1wrs h THR 53 CO 0.21 0.00 0.22 0.08 -0.01 0.00 0.00 175.52 176.02 1wrs h ARG 54 N -0.98 0.28 0.00 0.00 0.11 -1.67 2.33 114.38 114.44 1wrs h ARG 54 Ca -0.06 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 1wrs h ARG 54 Cb 0.85 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.87 1wrs h ARG 54 CO -0.06 0.18 -0.07 0.28 0.10 0.00 0.00 179.97 180.40 1wrs h VAL 55 N 0.29 0.24 0.16 0.08 2.07 -1.09 0.51 116.25 118.51 1wrs h VAL 55 Ca 0.46 -0.56 -0.28 0.00 0.82 0.00 0.00 66.70 67.13 1wrs h VAL 55 Cb 0.81 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1wrs h VAL 55 CO -0.53 0.07 -1.33 0.08 0.02 0.00 0.00 177.57 175.88 1wrs h ARG 56 N 0.00 0.34 -0.06 1.57 0.11 1.25 -2.33 114.38 115.26 1wrs h ARG 56 Ca -0.00 -0.58 -0.13 0.00 0.10 0.00 0.00 59.98 59.38 1wrs h ARG 56 Cb 0.44 0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 1wrs h ARG 56 CO 0.01 1.28 -0.53 0.97 0.10 0.00 0.00 179.97 181.79 1wrs h ILE 57 N -0.17 1.37 0.48 0.08 -0.00 0.28 -2.59 117.51 116.96 1wrs h ILE 57 Ca -0.26 -1.82 -0.02 0.00 -0.00 0.00 0.00 64.86 62.76 1wrs h ILE 57 Cb 1.86 1.91 -0.00 0.00 -0.00 0.00 0.00 36.82 40.59 1wrs h ILE 57 CO 0.14 0.53 -0.31 0.58 -0.00 0.00 0.00 178.15 179.10 1wrs h VAL 58 N 0.14 0.00 -1.11 2.19 2.07 -0.96 0.91 116.25 119.49 1wrs h VAL 58 Ca 0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 1wrs h VAL 58 Cb 0.99 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1wrs h VAL 58 CO 0.08 0.00 1.06 -0.33 0.02 0.00 0.00 177.57 178.39 1wrs h GLU 59 N -0.75 0.00 0.04 1.57 5.08 -1.33 1.23 114.58 120.43 1wrs h GLU 59 Ca -0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.99 1wrs h GLU 59 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1wrs h GLU 59 CO 0.06 0.00 -1.68 0.93 -1.00 0.00 0.00 179.01 177.32 1wrs h GLU 60 N 0.00 0.09 -0.04 2.33 3.07 -0.59 -3.26 114.58 116.19 1wrs h GLU 60 Ca 0.53 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1wrs h GLU 60 Cb 2.63 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 30.60 1wrs h GLU 60 CO -0.01 0.78 0.25 1.37 -1.40 0.00 0.00 179.01 180.01 1wrs h LEU 61 N 0.03 0.00 -2.02 1.33 8.10 0.89 0.84 115.31 124.47 1wrs h LEU 61 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.71 1wrs h LEU 61 Cb 2.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.22 1wrs h LEU 61 CO 0.10 0.00 0.00 -0.11 -4.11 0.00 0.00 178.44 174.32 1wrs n LEU 62 N -3.05 2.77 0.07 0.17 7.94 -1.01 -4.59 117.00 119.29 1wrs n LEU 62 Ca -0.01 -1.38 0.00 0.00 -1.11 0.00 0.00 56.01 53.50 1wrs n LEU 62 Cb 0.32 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.80 1wrs n LEU 62 CO 0.17 0.46 0.36 -2.11 -1.11 0.00 0.00 177.39 175.16 1wrs n ARG 63 N 0.56 0.01 -0.45 1.96 1.85 0.29 -2.64 116.66 118.23 1wrs n ARG 63 Ca 0.00 0.20 0.38 0.00 -1.00 0.00 0.00 57.85 57.43 1wrs n ARG 63 Cb 0.46 -1.15 0.59 0.00 -1.05 0.00 0.00 32.46 31.31 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wrs n GLY 64 N -0.72 -0.80 0.18 2.89 0.00 -1.26 -1.88 105.19 103.60 1wrs n GLY 64 Ca 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 1wrs n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wrs n GLU 65 N -3.44 0.28 -3.51 1.61 1.02 -1.08 -5.10 120.64 110.42 1wrs n GLU 65 Ca 0.32 0.11 -0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1wrs n GLU 65 Cb 1.64 -0.96 -0.04 0.00 -0.02 0.00 0.00 31.44 32.05 1wrs n GLU 65 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1wrs s MET 66 N -2.08 0.97 0.00 3.49 1.75 -0.79 -5.11 119.30 117.53 1wrs s MET 66 Ca -0.15 0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1wrs s MET 66 Cb 0.02 0.45 0.00 0.00 2.84 0.00 0.00 34.83 38.15 1wrs s MET 66 CO 0.23 -0.35 0.00 -1.13 -0.65 0.00 0.00 175.02 173.12 1wrs n SER 67 N 0.45 0.00 -0.03 1.11 3.41 -1.26 -4.45 113.62 112.85 1wrs n SER 67 Ca -0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.41 1wrs n SER 67 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wrs n GLN 68 N 0.00 0.16 0.00 4.33 10.64 -1.26 -4.63 117.38 126.62 1wrs n GLN 68 Ca 0.00 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1wrs n GLN 68 Cb 0.00 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 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 -2.74 0.59 -0.02 2.61 3.00 -1.26 -3.90 116.66 114.94 1wrs n ARG 69 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.73 1wrs n ARG 69 Cb 0.62 -1.22 -0.00 0.00 0.00 0.00 0.00 32.46 31.85 1wrs n ARG 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1wrs h GLU 70 N 0.74 0.00 0.00 -0.14 4.39 -2.02 -3.48 114.58 114.08 1wrs h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wrs h GLU 70 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1wrs h GLU 70 CO 0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1wrs n LEU 71 N -3.02 0.00 -4.35 1.33 4.32 -1.25 -4.66 117.00 109.36 1wrs n LEU 71 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.57 1wrs n LEU 71 Cb 0.04 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.84 1wrs n LEU 71 CO 0.01 0.00 -0.28 2.29 -1.22 0.00 0.00 177.39 178.19 1wrs n LYS 72 N 0.00 0.21 0.00 3.23 2.85 -1.26 -4.98 118.16 118.21 1wrs n LYS 72 Ca 0.00 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1wrs n LYS 72 Cb 0.00 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 1wrs n LYS 72 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wrs n ASN 73 N 1.88 0.00 0.00 -5.58 4.13 -1.26 -5.10 115.26 109.32 1wrs n ASN 73 Ca 0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1wrs n ASN 73 Cb 0.42 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 1wrs n ASN 73 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1wrs n GLU 74 N 0.00 0.00 -0.00 3.52 -0.00 -1.26 -4.93 120.64 117.96 1wrs n GLU 74 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.20 1wrs n GLU 74 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.39 1wrs n GLU 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1wrs n LEU 75 N -1.21 0.14 -0.10 -1.84 -0.00 -1.26 -4.66 117.00 108.07 1wrs n LEU 75 Ca 0.00 -0.20 -0.14 0.00 -0.00 0.00 0.00 56.01 55.67 1wrs n LEU 75 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1wrs n LEU 75 CO 0.00 0.04 0.50 1.23 -0.00 0.00 0.00 177.39 179.16 1wrs h GLY 76 N 1.54 -1.02 0.00 -3.96 0.00 -1.99 -3.44 103.07 94.20 1wrs h GLY 76 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1wrs h GLY 76 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.39 1wrs n ALA 77 N -3.06 0.00 0.00 3.60 0.00 -1.26 -5.10 120.51 114.69 1wrs n ALA 77 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1wrs n ALA 77 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.57 2.90 0.35 0.00 0.00 -1.26 -4.84 105.19 101.77 1wrs n GLY 78 Ca 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.67 1wrs n GLY 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wrs h ILE 79 N 0.00 0.96 -1.45 -0.61 2.10 -1.99 -2.01 117.51 114.51 1wrs h ILE 79 Ca 0.00 -0.20 0.43 0.00 1.08 0.00 0.00 64.86 66.17 1wrs h ILE 79 Cb 0.00 0.33 -0.07 0.00 -1.09 0.00 0.00 36.82 35.99 1wrs h ILE 79 CO 0.00 0.11 1.03 0.00 -1.08 0.00 0.00 178.15 178.20 1wrs n ALA 80 N -2.48 1.40 0.00 0.18 0.00 -1.26 0.73 120.51 119.08 1wrs n ALA 80 Ca 0.10 0.53 -0.02 0.00 0.00 0.00 0.00 53.44 54.06 1wrs n ALA 80 Cb 0.30 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1wrs n ALA 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wrs h THR 81 N 0.00 0.00 0.00 0.00 2.02 -1.68 -3.33 112.91 109.91 1wrs h THR 81 Ca 0.72 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1wrs h THR 81 Cb 2.79 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1wrs h THR 81 CO -0.07 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.12 1wrs n ILE 82 N -4.75 1.51 -0.03 3.11 -5.35 0.22 -2.78 119.36 111.30 1wrs n ILE 82 Ca -0.02 0.44 -0.13 0.00 -0.27 0.00 0.00 62.75 62.78 1wrs n ILE 82 Cb 0.05 -1.36 -0.11 0.00 -1.74 0.00 0.00 39.64 36.48 1wrs n ILE 82 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1wrs h THR 83 N 0.00 1.42 0.00 7.28 1.35 -0.99 -3.36 112.91 118.62 1wrs h THR 83 Ca 0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1wrs h THR 83 Cb 0.10 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1wrs h THR 83 CO 0.00 0.40 0.00 0.54 -0.25 0.00 0.00 175.52 176.21 1wrs n ARG 84 N -4.77 0.00 -0.00 4.72 3.00 -1.12 -2.15 116.66 116.34 1wrs n ARG 84 Ca -0.09 0.73 -0.00 0.00 -0.01 0.00 0.00 57.85 58.49 1wrs n ARG 84 Cb 0.34 -1.46 -0.00 0.00 0.00 0.00 0.00 32.46 31.34 1wrs n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wrs n GLY 85 N -0.98 -0.01 0.05 -0.13 0.00 -1.24 -0.14 105.19 102.74 1wrs n GLY 85 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1wrs n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wrs h SER 86 N 0.00 0.00 0.00 1.61 4.64 -1.68 -3.34 113.55 114.78 1wrs h SER 86 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wrs h SER 86 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wrs h SER 86 CO -0.01 0.54 0.00 0.59 -0.87 0.00 0.00 176.83 177.08 1wrs n ASN 87 N -4.22 0.00 -0.26 4.97 4.13 -0.70 -3.23 115.26 115.94 1wrs n ASN 87 Ca -0.04 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.38 1wrs n ASN 87 Cb 0.14 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 38.82 1wrs n ASN 87 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1wrs h SER 88 N 0.00 0.54 0.10 6.41 0.02 -0.67 -2.00 113.55 117.95 1wrs h SER 88 Ca 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wrs h SER 88 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1wrs h SER 88 CO 0.00 0.23 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.81 1wrs h LEU 89 N 0.55 -0.11 -0.28 5.07 4.07 -1.80 -3.37 115.31 119.44 1wrs h LEU 89 Ca 0.48 -0.44 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1wrs h LEU 89 Cb 0.98 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 1wrs h LEU 89 CO -0.21 0.53 -0.34 0.11 -1.08 0.00 0.00 178.44 177.45 1wrs h LYS 90 N -0.90 -0.21 -0.06 1.13 1.57 -1.73 -3.03 116.57 113.34 1wrs h LYS 90 Ca -0.01 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1wrs h LYS 90 Cb 0.55 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1wrs h LYS 90 CO 0.02 -0.14 -0.04 0.00 -0.57 0.00 0.00 179.45 178.73 1wrs n ALA 91 N -2.95 -0.04 0.00 3.86 0.00 -0.79 -4.78 120.51 115.81 1wrs n ALA 91 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1wrs n ALA 91 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1wrs n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs n ALA 92 N -2.73 0.00 -1.55 0.00 0.00 -1.14 -5.08 120.51 110.01 1wrs n ALA 92 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1wrs n ALA 92 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1wrs n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wrs n PRO 93 N 0.00 0.84 -0.00 0.00 -0.02 -1.26 -4.66 135.00 129.90 1wrs n PRO 93 Ca 0.00 -0.20 0.05 0.00 -2.02 0.00 0.00 63.50 61.32 1wrs n PRO 93 Cb 0.00 -3.35 -0.06 0.00 -0.02 0.00 0.00 33.50 30.07 1wrs n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wrs n VAL 94 N 8.11 0.00 0.10 -1.45 0.31 -1.26 -4.51 118.33 119.62 1wrs n VAL 94 Ca 0.42 -0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.45 1wrs n VAL 94 Cb 0.48 0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 34.23 1wrs n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wrs h GLU 95 N 0.00 0.00 -1.23 5.55 5.08 -1.98 -3.25 114.58 118.75 1wrs h GLU 95 Ca 0.00 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 58.72 1wrs h GLU 95 Cb 0.28 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1wrs h GLU 95 CO 0.00 0.80 0.84 -0.07 -1.00 0.00 0.00 179.01 179.58 1wrs h LEU 96 N 0.00 0.20 -1.03 1.33 3.38 -1.97 0.71 115.31 117.93 1wrs h LEU 96 Ca -0.01 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1wrs h LEU 96 Cb 1.52 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1wrs h LEU 96 CO 0.10 -0.01 0.13 0.03 0.09 0.00 0.00 178.44 178.78 1wrs h ARG 97 N 0.15 0.82 -0.09 1.13 -0.00 -1.88 0.36 114.38 114.87 1wrs h ARG 97 Ca 0.66 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.98 59.91 1wrs h ARG 97 Cb 2.20 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 32.04 1wrs h ARG 97 CO -0.18 0.74 -0.22 1.96 0.00 0.00 0.00 179.97 182.27 1wrs h GLN 98 N 0.79 0.15 0.00 0.04 4.20 0.24 -3.05 115.11 117.48 1wrs h GLN 98 Ca 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1wrs h GLN 98 Cb 0.30 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1wrs h GLN 98 CO -0.00 0.37 -0.41 2.35 -0.67 0.00 0.00 178.83 180.47 1wrs h TRP 99 N 0.14 0.00 -0.98 2.96 7.01 -1.20 -3.37 115.95 120.51 1wrs h TRP 99 Ca 0.02 0.00 0.37 0.00 2.11 0.00 0.00 58.89 61.40 1wrs h TRP 99 Cb 0.47 0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 27.39 1wrs h TRP 99 CO 0.00 0.17 0.58 1.28 -2.79 0.00 0.00 178.44 177.68 1wrs n LEU 100 N -4.65 0.24 -0.33 0.65 7.99 0.12 0.18 117.00 121.21 1wrs n LEU 100 Ca -0.07 1.29 0.18 0.00 -0.01 0.00 0.00 56.01 57.40 1wrs n LEU 100 Cb 0.23 -0.63 0.35 0.00 -0.11 0.00 0.00 43.42 43.26 1wrs n LEU 100 CO 0.09 -1.43 0.88 -0.33 -1.51 0.00 0.00 177.39 175.09 1wrs h GLU 101 N 0.00 0.05 -0.00 3.23 5.08 -1.69 1.78 114.58 123.02 1wrs h GLU 101 Ca 0.72 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.88 1wrs h GLU 101 Cb 2.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.34 1wrs h GLU 101 CO -0.54 0.03 -0.88 1.49 -1.00 0.00 0.00 179.01 178.11 1wrs h GLU 102 N 0.05 0.27 0.00 2.33 4.81 0.17 -2.76 114.58 119.45 1wrs h GLU 102 Ca 0.64 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1wrs h GLU 102 Cb 1.40 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1wrs h GLU 102 CO -0.83 0.99 -0.55 0.28 -0.73 0.00 0.00 179.01 178.17 1wrs h VAL 103 N 0.15 0.99 0.44 0.32 2.07 0.21 -3.23 116.25 117.20 1wrs h VAL 103 Ca -0.05 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1wrs h VAL 103 Cb 1.51 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1wrs h VAL 103 CO 0.14 0.33 -0.38 -0.07 0.02 0.00 0.00 177.57 177.61 1wrs h LEU 104 N -1.00 -1.02 0.02 2.57 3.38 0.18 0.20 115.31 119.65 1wrs h LEU 104 Ca -0.13 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wrs h LEU 104 Cb 0.92 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1wrs h LEU 104 CO -0.08 -0.55 -0.10 -0.07 0.09 0.00 0.00 178.44 177.73 1wrs h LEU 105 N -0.83 -0.30 -0.59 1.67 3.38 -1.57 -2.76 115.31 114.31 1wrs h LEU 105 Ca -0.04 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1wrs h LEU 105 Cb 0.72 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 1wrs h LEU 105 CO -0.03 -0.11 -0.45 0.11 0.09 0.00 0.00 178.44 178.06 1wrs h LYS 106 N -0.14 -0.22 0.00 1.13 1.57 -1.57 -3.51 116.57 113.82 1wrs h LYS 106 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wrs h LYS 106 Cb 0.15 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wrs h LYS 106 CO -0.05 -0.15 0.00 0.45 -0.57 0.00 0.00 179.45 179.13