#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrs h SER 5 N 0.00 0.00 -4.15 1.08 0.02 -2.14 -3.47 113.55 104.89 1wrs h SER 5 Ca 0.00 -0.50 -0.51 0.00 -0.84 0.00 0.00 61.79 59.94 1wrs h SER 5 Cb 0.00 0.00 0.19 0.00 0.14 0.00 0.00 62.40 62.73 1wrs h SER 5 CO 0.00 1.10 0.20 -2.16 -1.14 0.00 0.00 176.83 174.83 1wrs s PRO 6 N -2.20 0.86 0.03 3.45 0.04 -1.26 -5.04 135.00 130.88 1wrs s PRO 6 Ca -0.20 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.33 1wrs s PRO 6 Cb 0.02 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 1wrs s PRO 6 CO 0.48 -2.70 -0.16 0.71 0.04 0.00 0.00 177.00 175.37 1wrs s TYR 7 N -2.65 1.40 -0.29 0.56 1.51 -1.26 -5.13 117.35 111.49 1wrs s TYR 7 Ca 0.67 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 56.24 1wrs s TYR 7 Cb -0.23 -0.85 0.14 0.00 -0.11 0.00 0.00 41.96 40.91 1wrs s TYR 7 CO 0.59 0.03 0.93 0.45 -1.11 0.00 0.00 175.55 176.44 1wrs s SER 8 N -0.93 -0.59 -0.08 2.29 0.15 -1.26 -5.05 113.70 108.22 1wrs s SER 8 Ca 0.04 0.93 -0.18 0.00 0.70 0.00 0.00 55.95 57.44 1wrs s SER 8 Cb -0.07 1.31 -0.29 0.00 -1.71 0.00 0.00 66.02 65.26 1wrs s SER 8 CO 0.01 -0.14 0.67 0.00 1.20 0.00 0.00 173.24 174.98 1wrs h ALA 9 N 6.39 0.08 -6.22 5.45 0.00 -2.04 -3.48 119.26 119.44 1wrs h ALA 9 Ca -0.27 -0.97 -0.43 0.00 0.00 0.00 0.00 54.91 53.24 1wrs h ALA 9 Cb 1.19 0.36 0.06 0.00 0.00 0.00 0.00 17.79 19.40 1wrs h ALA 9 CO 0.18 0.69 -0.92 0.00 0.00 0.00 0.00 179.25 179.20 1wrs n ALA 10 N -2.87 -2.40 -1.33 0.00 0.00 -1.26 -4.77 120.51 107.88 1wrs n ALA 10 Ca -0.21 -0.22 -0.38 0.00 0.00 0.00 0.00 53.44 52.63 1wrs n ALA 10 Cb 0.89 -3.50 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 1wrs n ALA 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wrs n MET 11 N -4.19 2.70 -0.00 0.00 2.81 -1.26 -4.91 117.12 112.26 1wrs n MET 11 Ca -0.15 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.60 1wrs n MET 11 Cb 0.62 -2.93 -0.00 0.00 -0.71 0.00 0.00 33.22 30.20 1wrs n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wrs n ALA 12 N 5.33 -0.00 0.00 3.04 0.00 -1.26 -4.93 120.51 122.68 1wrs n ALA 12 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1wrs n ALA 12 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1wrs n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wrs n GLU 13 N -0.43 0.00 -3.62 0.00 2.13 -1.26 -5.09 120.64 112.37 1wrs n GLU 13 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 1wrs n GLU 13 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1wrs n GLU 13 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1wrs s GLN 14 N -1.10 3.83 0.00 5.31 -2.07 -1.26 -4.74 119.66 119.64 1wrs s GLN 14 Ca 0.00 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.15 1wrs s GLN 14 Cb 0.00 -3.60 0.00 0.00 -1.09 0.00 0.00 33.01 28.32 1wrs s GLN 14 CO 0.00 -0.21 0.00 -2.13 -1.32 0.00 0.00 175.29 171.63 1wrs n ARG 15 N 5.03 0.00 -0.01 9.60 0.63 -1.26 -4.89 116.66 125.76 1wrs n ARG 15 Ca -0.14 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.83 1wrs n ARG 15 Cb 0.52 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.66 1wrs n ARG 15 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1wrs n HIS 16 N -0.39 0.01 0.00 -0.14 -0.00 -1.26 -3.76 115.22 109.68 1wrs n HIS 16 Ca 0.00 -0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1wrs n HIS 16 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.58 0.00 -0.41 1.57 3.00 -1.26 -2.98 117.38 116.71 1wrs n GLN 17 Ca 0.06 0.17 0.39 0.00 -0.01 0.00 0.00 57.00 57.60 1wrs n GLN 17 Cb 0.04 -0.60 0.75 0.00 0.00 0.00 0.00 30.24 30.43 1wrs n GLN 17 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1wrs h GLU 18 N 0.00 0.03 0.46 -1.09 3.07 -1.97 0.31 114.58 115.38 1wrs h GLU 18 Ca 0.00 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1wrs h GLU 18 Cb 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1wrs h GLU 18 CO 0.00 0.02 -0.44 2.35 -1.40 0.00 0.00 179.01 179.53 1wrs h TRP 19 N 0.03 -1.22 -0.36 4.33 2.91 -1.71 -0.09 115.95 119.85 1wrs h TRP 19 Ca 0.66 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.79 1wrs h TRP 19 Cb 2.56 0.47 -0.01 0.00 -0.51 0.00 0.00 29.16 31.67 1wrs h TRP 19 CO -0.00 -0.61 0.58 1.25 -1.03 0.00 0.00 178.44 178.63 1wrs h LEU 20 N -0.91 0.00 0.01 0.65 5.85 -0.27 -2.54 115.31 118.10 1wrs h LEU 20 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1wrs h LEU 20 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1wrs h LEU 20 CO -0.06 0.00 -0.01 0.03 -0.34 0.00 0.00 178.44 178.07 1wrs h ARG 21 N 0.00 -0.02 -0.78 1.25 2.47 -0.91 0.13 114.38 116.51 1wrs h ARG 21 Ca 0.17 0.00 0.29 0.00 -1.26 0.00 0.00 59.98 59.18 1wrs h ARG 21 Cb 1.32 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.55 1wrs h ARG 21 CO -0.00 -0.01 0.48 1.97 0.56 0.00 0.00 179.97 182.97 1wrs n PHE 22 N -2.09 0.54 -0.03 3.04 1.16 -0.97 0.26 117.46 119.36 1wrs n PHE 22 Ca -0.00 0.54 -0.13 0.00 -1.87 0.00 0.00 57.45 55.99 1wrs n PHE 22 Cb 0.01 -0.95 -0.11 0.00 -1.61 0.00 0.00 39.48 36.82 1wrs n PHE 22 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1wrs h VAL 23 N 0.00 1.49 0.00 1.97 2.07 -1.47 -2.94 116.25 117.37 1wrs h VAL 23 Ca 0.54 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1wrs h VAL 23 Cb 1.65 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1wrs h VAL 23 CO -0.35 0.41 0.00 -0.67 0.02 0.00 0.00 177.57 176.98 1wrs n ASP 24 N -4.76 0.00 -0.28 0.57 2.03 0.71 -0.82 116.55 114.00 1wrs n ASP 24 Ca -0.09 0.86 0.10 0.00 0.52 0.00 0.00 54.79 56.17 1wrs n ASP 24 Cb 0.34 -0.36 0.24 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.04 -0.24 -2.67 3.38 -1.61 -1.59 115.31 112.62 1wrs h LEU 25 Ca 0.00 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1wrs h LEU 25 Cb 0.00 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1wrs h LEU 25 CO 0.00 -0.08 -0.42 0.25 0.09 0.00 0.00 178.44 178.28 1wrs h LEU 26 N 0.26 -1.35 -1.22 1.67 6.46 -0.79 0.11 115.31 120.47 1wrs h LEU 26 Ca 0.49 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 58.41 1wrs h LEU 26 Cb 0.91 0.57 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 1wrs h LEU 26 CO -0.58 -0.40 0.18 0.50 -0.62 0.00 0.00 178.44 177.53 1wrs h LYS 27 N -0.42 0.73 -0.00 1.25 3.64 -0.25 -2.14 116.57 119.38 1wrs h LYS 27 Ca 0.10 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1wrs h LYS 27 Cb 0.60 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1wrs h LYS 27 CO -0.47 0.61 -0.05 0.09 -2.27 0.00 0.00 179.45 177.37 1wrs n ASN 28 N -4.33 0.09 -0.10 4.20 4.13 -0.71 -4.24 115.26 114.29 1wrs n ASN 28 Ca 0.04 0.05 -0.13 0.00 1.68 0.00 0.00 54.58 56.22 1wrs n ASN 28 Cb 0.17 -0.31 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 1wrs n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wrs n ALA 29 N -1.34 0.94 -0.35 5.41 0.00 0.31 -4.43 120.51 121.05 1wrs n ALA 29 Ca 0.11 -0.88 0.30 0.00 0.00 0.00 0.00 53.44 52.97 1wrs n ALA 29 Cb 0.29 0.05 0.46 0.00 0.00 0.00 0.00 19.45 20.25 1wrs n ALA 29 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wrs n TYR 30 N -4.42 0.00 -0.23 0.00 9.36 -0.87 0.86 117.16 121.86 1wrs n TYR 30 Ca -0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.00 1wrs n TYR 30 Cb 0.59 -0.28 0.12 0.00 -0.63 0.00 0.00 39.34 39.15 1wrs n TYR 30 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1wrs h GLN 31 N 0.00 0.54 0.00 2.98 4.15 -1.77 -3.39 115.11 117.62 1wrs h GLN 31 Ca 0.53 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.92 1wrs h GLN 31 Cb 2.47 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 30.04 1wrs h GLN 31 CO -0.01 0.36 0.00 0.09 -1.93 0.00 0.00 178.83 177.34 1wrs n ASN 32 N -4.89 0.00 0.00 -0.69 4.13 0.25 -5.05 115.26 109.01 1wrs n ASN 32 Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1wrs n ASN 32 Cb 0.25 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 1wrs n ASN 32 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1wrs n ASP 33 N -1.80 0.00 -0.00 6.41 -0.08 -1.18 -4.99 116.55 114.92 1wrs n ASP 33 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1wrs n ASP 33 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wrs n LEU 34 N 0.00 0.83 0.29 -2.67 7.99 -1.25 -4.30 117.00 117.89 1wrs n LEU 34 Ca 0.00 -0.40 0.17 0.00 -0.01 0.00 0.00 56.01 55.77 1wrs n LEU 34 Cb 0.00 -0.01 0.95 0.00 -0.11 0.00 0.00 43.42 44.25 1wrs n LEU 34 CO 0.00 0.20 1.14 1.12 -1.51 0.00 0.00 177.39 178.35 1wrs h HIS 35 N 0.00 0.00 0.19 -1.77 2.07 -1.89 -1.68 115.15 112.07 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 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 1wrs h HIS 35 CO 0.00 0.00 -0.09 -0.07 -3.07 0.00 0.00 177.93 174.70 1wrs h LEU 36 N 0.00 -0.21 -1.38 6.12 3.38 -1.97 -1.67 115.31 119.59 1wrs h LEU 36 Ca 0.02 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.08 1wrs h LEU 36 Cb 0.10 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1wrs h LEU 36 CO -0.00 0.27 0.54 -0.65 0.09 0.00 0.00 178.44 178.68 1wrs h PRO 37 N -1.06 0.62 -0.48 1.13 0.10 -1.81 -0.11 132.00 130.40 1wrs h PRO 37 Ca -0.03 -0.04 -0.03 0.00 0.10 0.00 0.00 66.00 66.00 1wrs h PRO 37 Cb 0.23 -0.14 -0.02 0.00 0.10 0.00 0.00 31.00 31.17 1wrs h PRO 37 CO 0.04 0.41 0.16 -0.07 0.10 0.00 0.00 178.00 178.65 1wrs h LEU 38 N 0.64 0.68 -1.58 2.35 3.38 -1.37 -1.95 115.31 117.46 1wrs h LEU 38 Ca 0.40 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.37 1wrs h LEU 38 Cb 0.65 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1wrs h LEU 38 CO -0.16 0.69 0.57 0.25 0.09 0.00 0.00 178.44 179.88 1wrs h LEU 39 N 0.63 0.36 0.00 1.67 5.85 -0.02 0.88 115.31 124.68 1wrs h LEU 39 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1wrs h LEU 39 Cb 0.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1wrs h LEU 39 CO -0.01 0.15 0.00 0.59 -0.34 0.00 0.00 178.44 178.84 1wrs n ASN 40 N -4.48 0.00 -0.02 1.25 3.02 -0.73 -3.38 115.26 110.92 1wrs n ASN 40 Ca 0.18 -1.11 -0.06 0.00 -0.03 0.00 0.00 54.58 53.56 1wrs n ASN 40 Cb 0.68 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wrs n LEU 41 N -0.71 1.16 -0.12 3.41 4.32 0.30 -4.67 117.00 120.70 1wrs n LEU 41 Ca 0.07 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1wrs n LEU 41 Cb 0.03 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1wrs n LEU 41 CO 0.05 -0.32 0.43 1.15 -1.22 0.00 0.00 177.39 177.48 1wrs n MET 42 N -3.70 0.97 0.00 3.23 0.00 -1.10 -4.79 117.12 111.73 1wrs n MET 42 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.60 1wrs n MET 42 Cb 0.33 -1.11 0.00 0.00 0.00 0.00 0.00 33.22 32.44 1wrs n MET 42 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1wrs n LEU 43 N -0.38 0.00 0.00 3.17 -0.00 -1.22 -5.09 117.00 113.48 1wrs n LEU 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1wrs n LEU 43 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1wrs n LEU 43 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.46 1wrs n THR 44 N -0.00 0.00 0.00 1.47 5.66 -1.26 -4.05 114.28 116.09 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 -0.61 0.00 -0.11 1.09 -0.04 -1.26 -4.15 135.00 129.92 1wrs n PRO 45 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1wrs n PRO 45 Cb 0.00 0.00 0.57 0.00 -0.04 0.00 0.00 33.50 34.03 1wrs n PRO 45 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1wrs h ASP 46 N 0.00 0.25 0.26 3.54 2.03 -2.00 -2.37 116.42 118.13 1wrs h ASP 46 Ca 0.00 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1wrs h ASP 46 Cb 0.00 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 1wrs h ASP 46 CO 0.00 0.13 -0.28 -0.33 -1.03 0.00 0.00 179.24 177.73 1wrs h GLU 47 N 0.27 -0.52 -1.05 4.15 5.08 -1.97 -1.46 114.58 119.08 1wrs h GLU 47 Ca 0.33 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 59.01 1wrs h GLU 47 Cb 0.90 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.15 1wrs h GLU 47 CO -0.08 -0.35 0.64 -0.09 -1.00 0.00 0.00 179.01 178.14 1wrs h ARG 48 N -0.54 0.40 0.14 2.33 2.43 -1.59 0.66 114.38 118.20 1wrs h ARG 48 Ca -0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1wrs h ARG 48 Cb 0.47 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1wrs h ARG 48 CO -0.05 0.26 -0.07 1.49 -1.51 0.00 0.00 179.97 180.10 1wrs h GLU 49 N 0.41 -0.18 0.18 0.20 4.81 -1.23 -3.19 114.58 115.58 1wrs h GLU 49 Ca 0.67 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.90 1wrs h GLU 49 Cb 1.56 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1wrs h GLU 49 CO -0.44 -0.12 -0.09 0.00 -0.73 0.00 0.00 179.01 177.64 1wrs h ALA 50 N -1.85 -0.25 -0.69 2.92 0.00 -0.93 -2.93 119.26 115.54 1wrs h ALA 50 Ca -0.02 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.88 1wrs h ALA 50 Cb 0.14 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 1wrs h ALA 50 CO 0.03 -0.49 -0.11 -0.11 0.00 0.00 0.00 179.25 178.57 1wrs n LEU 51 N -5.07 -0.19 0.02 0.00 0.00 0.23 -0.87 117.00 111.12 1wrs n LEU 51 Ca -0.09 1.18 -0.01 0.00 0.00 0.00 0.00 56.01 57.09 1wrs n LEU 51 Cb 0.22 -0.38 -0.00 0.00 0.00 0.00 0.00 43.42 43.25 1wrs n LEU 51 CO 0.32 -1.15 0.38 1.23 0.00 0.00 0.00 177.39 178.17 1wrs h GLY 52 N 0.00 -0.07 -0.06 -3.96 0.00 -1.53 -2.97 103.07 94.49 1wrs h GLY 52 Ca 0.36 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1wrs h GLY 52 CO -0.69 -0.02 -0.04 2.41 0.00 0.00 0.00 176.54 178.20 1wrs n THR 53 N -2.22 -0.04 -0.20 4.70 -1.04 -0.05 -1.80 114.28 113.64 1wrs n THR 53 Ca -0.01 1.11 -0.05 0.00 -2.04 0.00 0.00 64.05 63.06 1wrs n THR 53 Cb 0.03 -1.46 -0.05 0.00 -1.82 0.00 0.00 70.33 67.03 1wrs n THR 53 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wrs n ARG 54 N -2.89 -0.21 0.31 -2.82 3.00 -0.19 0.17 116.66 114.04 1wrs n ARG 54 Ca 0.00 1.00 0.21 0.00 -0.01 0.00 0.00 57.85 59.05 1wrs n ARG 54 Cb 0.02 -1.48 1.11 0.00 0.00 0.00 0.00 32.46 32.11 1wrs n ARG 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1wrs h VAL 55 N 0.00 0.00 0.17 1.55 3.04 -1.18 -0.77 116.25 119.06 1wrs h VAL 55 Ca 0.08 -0.02 -0.33 0.00 -1.01 0.00 0.00 66.70 65.41 1wrs h VAL 55 Cb 0.19 0.95 0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1wrs h VAL 55 CO -0.44 0.00 -1.59 0.08 -1.01 0.00 0.00 177.57 174.61 1wrs h ARG 56 N 0.00 0.36 0.11 4.17 -0.00 0.23 -2.89 114.38 116.36 1wrs h ARG 56 Ca 0.00 -0.62 -0.28 0.00 -0.00 0.00 0.00 59.98 59.08 1wrs h ARG 56 Cb 0.03 0.23 -0.00 0.00 -0.00 0.00 0.00 29.97 30.22 1wrs h ARG 56 CO 0.00 1.26 -1.34 0.97 -0.00 0.00 0.00 179.97 180.87 1wrs h ILE 57 N 0.10 1.38 -0.42 0.08 -0.00 -0.37 -2.73 117.51 115.56 1wrs h ILE 57 Ca -0.28 -2.99 -0.15 0.00 -0.00 0.00 0.00 64.86 61.44 1wrs h ILE 57 Cb 2.08 2.86 -0.01 0.00 -0.00 0.00 0.00 36.82 41.74 1wrs h ILE 57 CO 0.19 0.86 -0.34 1.62 -0.00 0.00 0.00 178.15 180.49 1wrs h VAL 58 N 0.06 1.27 -0.01 2.19 3.04 -1.30 -1.01 116.25 120.49 1wrs h VAL 58 Ca -0.16 -1.51 -0.13 0.00 -1.01 0.00 0.00 66.70 63.88 1wrs h VAL 58 Cb 1.97 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 1wrs h VAL 58 CO 0.18 0.51 -0.61 1.05 -1.01 0.00 0.00 177.57 177.69 1wrs h GLU 59 N 0.80 0.05 -0.02 4.17 4.11 -1.60 -2.40 114.58 119.69 1wrs h GLU 59 Ca 0.08 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 1wrs h GLU 59 Cb 0.93 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wrs h GLU 59 CO 0.09 0.64 -0.23 1.49 0.07 0.00 0.00 179.01 181.07 1wrs h GLU 60 N 0.04 0.19 0.00 1.06 4.81 -1.37 -3.24 114.58 116.07 1wrs h GLU 60 Ca -0.01 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1wrs h GLU 60 Cb 1.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1wrs h GLU 60 CO 0.08 0.87 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.95 1wrs h LEU 61 N -0.43 0.00 -1.96 1.64 3.38 -1.23 0.59 115.31 117.31 1wrs h LEU 61 Ca -0.02 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.22 1wrs h LEU 61 Cb 0.94 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1wrs h LEU 61 CO 0.05 0.22 0.69 0.25 0.09 0.00 0.00 178.44 179.74 1wrs h LEU 62 N 0.00 0.03 -0.61 1.67 6.46 -1.45 0.17 115.31 121.58 1wrs h LEU 62 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1wrs h LEU 62 Cb 0.50 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1wrs h LEU 62 CO 0.03 0.01 0.00 0.54 -0.62 0.00 0.00 178.44 178.40 1wrs n ARG 63 N -4.27 0.52 -0.39 1.25 1.74 -0.88 -4.62 116.66 110.00 1wrs n ARG 63 Ca 0.20 -0.30 0.08 0.00 -0.77 0.00 0.00 57.85 57.06 1wrs n ARG 63 Cb 1.01 -0.78 0.22 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.16 4.37 0.29 -0.13 0.00 0.20 -4.77 105.19 105.31 1wrs n GLY 64 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.83 -0.09 0.00 1.61 1.02 0.45 -4.22 120.64 118.59 1wrs n GLU 65 Ca 0.21 1.24 0.00 0.00 -0.02 0.00 0.00 57.16 58.59 1wrs n GLU 65 Cb 0.84 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1wrs n GLU 65 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1wrs n MET 66 N -5.28 0.00 -2.67 3.49 1.56 -1.26 -4.51 117.12 108.45 1wrs n MET 66 Ca 0.12 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.51 1wrs n MET 66 Cb 0.39 0.00 0.06 0.00 2.15 0.00 0.00 33.22 35.82 1wrs n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1wrs n SER 67 N 0.00 -1.45 0.00 6.12 2.88 -1.26 -5.03 113.62 114.87 1wrs n SER 67 Ca 0.00 -1.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1wrs n SER 67 Cb 0.00 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 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 1.88 0.00 -0.70 -1.46 10.64 -1.26 -4.75 117.38 121.72 1wrs n GLN 68 Ca 0.05 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.13 1wrs n GLN 68 Cb 0.68 -0.71 0.16 0.00 -0.86 0.00 0.00 30.24 29.51 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 -2.34 2.29 -0.52 2.61 3.00 -1.26 -4.28 116.66 116.17 1wrs n ARG 69 Ca 0.00 -1.90 0.05 0.00 -0.00 0.00 0.00 57.85 56.00 1wrs n ARG 69 Cb 0.34 -1.81 0.24 0.00 0.00 0.00 0.00 32.46 31.23 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 -0.24 3.24 -4.91 -0.14 -0.58 -1.26 -4.84 120.64 111.91 1wrs n GLU 70 Ca 0.31 -1.88 -0.33 0.00 -0.42 0.00 0.00 57.16 54.84 1wrs n GLU 70 Cb 1.11 -1.91 -0.14 0.00 -0.57 0.00 0.00 31.44 29.93 1wrs n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1wrs s LEU 71 N -1.60 2.59 -0.77 -4.62 1.43 -1.26 -5.07 118.68 109.37 1wrs s LEU 71 Ca 0.33 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1wrs s LEU 71 Cb 0.24 -1.55 0.20 0.00 0.03 0.00 0.00 46.19 45.12 1wrs s LEU 71 CO 0.11 0.23 0.71 -1.59 0.23 0.00 0.00 176.35 176.04 1wrs s LYS 72 N -0.06 3.44 -0.02 1.70 -2.85 -1.26 -4.83 119.74 115.86 1wrs s LYS 72 Ca -0.04 -2.37 0.08 0.00 -1.00 0.00 0.00 55.97 52.64 1wrs s LYS 72 Cb -0.14 -4.35 0.26 0.00 -2.06 0.00 0.00 37.83 31.53 1wrs s LYS 72 CO 0.04 -1.28 1.16 -1.71 0.10 0.00 0.00 175.35 173.66 1wrs n ASN 73 N 4.09 1.70 0.00 0.03 5.15 -1.26 -4.90 115.26 120.07 1wrs n ASN 73 Ca 0.10 -2.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.02 1wrs n ASN 73 Cb 0.45 -0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1wrs n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wrs n GLU 74 N 0.30 0.00 0.14 1.20 1.02 -1.26 -3.41 120.64 118.62 1wrs n GLU 74 Ca 0.09 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.27 1wrs n GLU 74 Cb 0.30 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 32.16 1wrs n GLU 74 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wrs h LEU 75 N 0.00 0.19 0.16 -4.62 6.46 -2.01 -2.98 115.31 112.52 1wrs h LEU 75 Ca 0.00 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1wrs h LEU 75 Cb 0.00 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1wrs h LEU 75 CO 0.00 0.30 -0.42 1.23 -0.62 0.00 0.00 178.44 178.93 1wrs h GLY 76 N 0.58 -0.87 0.00 3.75 0.00 -1.95 -3.46 103.07 101.13 1wrs h GLY 76 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1wrs h GLY 76 CO 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.28 1wrs n ALA 77 N -2.82 0.87 0.00 3.60 0.00 -1.12 -5.07 120.51 115.97 1wrs n ALA 77 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wrs n ALA 77 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.42 2.94 0.53 0.00 0.00 -1.25 -4.92 105.19 102.07 1wrs n GLY 78 Ca 0.00 0.08 0.42 0.00 0.00 0.00 0.00 46.02 46.51 1wrs n GLY 78 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wrs n ILE 79 N 0.00 -0.09 0.23 -0.61 0.13 -1.26 0.56 119.36 118.32 1wrs n ILE 79 Ca 0.00 1.40 -0.14 0.00 -1.10 0.00 0.00 62.75 62.91 1wrs n ILE 79 Cb 0.00 -2.31 -0.08 0.00 -0.84 0.00 0.00 39.64 36.41 1wrs n ILE 79 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wrs h ALA 80 N 1.07 -0.59 -0.85 1.51 0.00 -2.00 -2.60 119.26 115.79 1wrs h ALA 80 Ca 0.79 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.69 1wrs h ALA 80 Cb 2.95 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 20.80 1wrs h ALA 80 CO -0.17 -0.69 -0.22 1.15 0.00 0.00 0.00 179.25 179.32 1wrs h THR 81 N -0.87 0.14 0.00 0.00 2.02 -0.24 0.11 112.91 114.07 1wrs h THR 81 Ca -0.06 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 1wrs h THR 81 Cb 0.57 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1wrs h THR 81 CO 0.10 0.00 -0.48 0.16 0.37 0.00 0.00 175.52 175.67 1wrs h ILE 82 N -0.00 1.22 0.00 3.11 3.07 -1.56 -2.86 117.51 120.48 1wrs h ILE 82 Ca 0.40 -1.72 0.00 0.00 1.55 0.00 0.00 64.86 65.10 1wrs h ILE 82 Cb 0.62 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 1wrs h ILE 82 CO -0.88 0.47 0.00 0.41 -1.05 0.00 0.00 178.15 177.10 1wrs n THR 83 N -3.78 0.00 0.05 0.16 -1.04 0.37 -2.22 114.28 107.81 1wrs n THR 83 Ca -0.01 1.29 0.03 0.00 -2.04 0.00 0.00 64.05 63.32 1wrs n THR 83 Cb 0.53 -2.28 0.14 0.00 -1.82 0.00 0.00 70.33 66.90 1wrs n THR 83 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1wrs n ARG 84 N -1.53 0.03 0.18 -2.82 0.00 -1.12 -0.67 116.66 110.73 1wrs n ARG 84 Ca 0.00 0.48 0.03 0.00 -0.00 0.00 0.00 57.85 58.35 1wrs n ARG 84 Cb 0.00 -1.70 0.33 0.00 -0.00 0.00 0.00 32.46 31.08 1wrs n ARG 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1wrs h GLY 85 N 0.00 0.00 -5.35 2.89 0.00 -1.20 -3.37 103.07 96.04 1wrs h GLY 85 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1wrs h GLY 85 CO 0.00 0.00 -0.79 -1.26 0.00 0.00 0.00 176.54 174.49 1wrs n SER 86 N -3.85 -0.67 0.02 0.19 2.88 0.15 -4.53 113.62 107.81 1wrs n SER 86 Ca -0.01 -3.15 0.11 0.00 -1.33 0.00 0.00 58.87 54.49 1wrs n SER 86 Cb 0.48 0.58 0.04 0.00 -0.75 0.00 0.00 64.21 64.56 1wrs n SER 86 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wrs n ASN 87 N 0.14 0.64 0.00 -3.46 2.85 -1.15 -4.95 115.26 109.33 1wrs n ASN 87 Ca 0.12 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1wrs n ASN 87 Cb 0.72 0.75 0.00 0.00 1.24 0.00 0.00 39.78 42.50 1wrs n ASN 87 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wrs n SER 88 N -1.82 0.00 0.23 1.20 2.88 -1.26 -4.52 113.62 110.32 1wrs n SER 88 Ca 0.03 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.66 1wrs n SER 88 Cb 0.41 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.40 1wrs n SER 88 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wrs h LEU 89 N 0.00 0.00 -1.24 2.46 4.07 -1.98 -2.91 115.31 115.71 1wrs h LEU 89 Ca 0.00 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.22 1wrs h LEU 89 Cb 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.64 1wrs h LEU 89 CO 0.00 0.23 0.65 0.07 -1.08 0.00 0.00 178.44 178.30 1wrs h LYS 90 N 0.00 0.45 -0.01 1.13 2.10 -1.92 0.48 116.57 118.80 1wrs h LYS 90 Ca -0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1wrs h LYS 90 Cb 0.56 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1wrs h LYS 90 CO 0.03 0.30 0.00 0.00 -2.00 0.00 0.00 179.45 177.78 1wrs n ALA 91 N -2.42 1.48 -0.24 0.07 0.00 -1.10 -4.22 120.51 114.09 1wrs n ALA 91 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 1wrs n ALA 91 Cb 0.83 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.35 -0.35 -1.53 0.00 0.00 0.17 -3.90 120.51 114.55 1wrs n ALA 92 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 53.44 53.65 1wrs n ALA 92 Cb 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 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 -4.72 0.46 0.24 0.00 -0.01 -1.26 -4.71 135.00 125.00 1wrs n PRO 93 Ca 0.01 -0.23 0.14 0.00 -0.01 0.00 0.00 63.50 63.42 1wrs n PRO 93 Cb 0.15 -2.57 0.77 0.00 -0.01 0.00 0.00 33.50 31.84 1wrs n PRO 93 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1wrs h VAL 94 N 7.63 0.00 0.00 -1.45 2.07 -1.98 -0.87 116.25 121.65 1wrs h VAL 94 Ca -0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1wrs h VAL 94 Cb 1.18 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1wrs h VAL 94 CO 1.27 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 178.19 1wrs h GLU 95 N 0.00 0.00 -0.80 1.57 5.08 -1.89 -2.97 114.58 115.57 1wrs h GLU 95 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wrs h GLU 95 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1wrs h GLU 95 CO 0.00 0.34 0.42 -0.07 -1.00 0.00 0.00 179.01 178.70 1wrs h LEU 96 N 0.00 1.01 -1.22 1.33 3.38 -1.49 -2.56 115.31 115.76 1wrs h LEU 96 Ca -0.00 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.96 1wrs h LEU 96 Cb 0.65 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1wrs h LEU 96 CO 0.04 0.84 0.57 0.03 0.09 0.00 0.00 178.44 180.01 1wrs h ARG 97 N 1.11 0.82 0.00 1.13 -0.00 -1.68 0.44 114.38 116.21 1wrs h ARG 97 Ca 0.28 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.67 1wrs h ARG 97 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 29.97 29.84 1wrs h ARG 97 CO -0.04 0.55 -0.17 1.96 0.00 0.00 0.00 179.97 182.27 1wrs h GLN 98 N 0.85 0.00 0.00 0.04 1.08 -1.56 -3.19 115.11 112.33 1wrs h GLN 98 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1wrs h GLN 98 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1wrs h GLN 98 CO -0.17 0.17 -0.24 1.87 -0.95 0.00 0.00 178.83 179.50 1wrs n TRP 99 N -4.25 0.02 -0.37 2.96 -0.00 -0.39 -4.70 117.44 110.72 1wrs n TRP 99 Ca -0.02 0.01 -0.03 0.00 -0.00 0.00 0.00 57.50 57.45 1wrs n TRP 99 Cb 0.24 -0.15 0.01 0.00 -0.00 0.00 0.00 31.31 31.41 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 -2.98 -0.69 -0.39 5.87 7.99 0.01 0.28 117.00 127.08 1wrs n LEU 100 Ca -0.03 1.63 0.31 0.00 -0.01 0.00 0.00 56.01 57.91 1wrs n LEU 100 Cb 0.13 -0.34 0.50 0.00 -0.11 0.00 0.00 43.42 43.60 1wrs n LEU 100 CO 0.05 -1.43 0.90 -1.84 -1.51 0.00 0.00 177.39 173.56 1wrs n GLU 101 N -5.32 -0.01 -0.04 3.23 0.28 -1.20 0.32 120.64 117.89 1wrs n GLU 101 Ca 0.08 0.78 -0.12 0.00 -0.16 0.00 0.00 57.16 57.74 1wrs n GLU 101 Cb 0.34 -1.66 -0.14 0.00 1.43 0.00 0.00 31.44 31.41 1wrs n GLU 101 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1wrs n GLU 102 N -3.66 0.67 0.11 3.44 0.00 0.14 -2.20 120.64 119.14 1wrs n GLU 102 Ca 0.28 0.23 0.13 0.00 0.00 0.00 0.00 57.16 57.80 1wrs n GLU 102 Cb 1.20 -1.71 0.37 0.00 0.00 0.00 0.00 31.44 31.29 1wrs n GLU 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1wrs h VAL 103 N 0.01 0.00 0.00 6.31 2.07 0.54 -3.27 116.25 121.92 1wrs h VAL 103 Ca -0.38 -0.51 -0.20 0.00 0.82 0.00 0.00 66.70 66.44 1wrs h VAL 103 Cb 2.05 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1wrs h VAL 103 CO 0.06 0.00 -1.61 -0.11 0.02 0.00 0.00 177.57 175.94 1wrs n LEU 104 N -2.30 1.80 0.05 2.57 7.94 0.18 -4.15 117.00 123.10 1wrs n LEU 104 Ca 0.05 0.31 -0.06 0.00 -1.11 0.00 0.00 56.01 55.20 1wrs n LEU 104 Cb 0.44 -0.71 -0.03 0.00 0.53 0.00 0.00 43.42 43.64 1wrs n LEU 104 CO 0.31 0.08 0.51 0.25 -1.11 0.00 0.00 177.39 177.42 1wrs h LEU 105 N -0.89 -0.52 0.00 -1.96 5.85 -1.59 -3.31 115.31 112.88 1wrs h LEU 105 Ca -0.30 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1wrs h LEU 105 Cb 1.21 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1wrs h LEU 105 CO -0.18 -0.20 0.00 1.17 -0.34 0.00 0.00 178.44 178.89 1wrs n LYS 106 N -3.44 0.00 0.00 1.25 4.81 -1.23 -5.08 118.16 114.47 1wrs n LYS 106 Ca -0.03 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1wrs n LYS 106 Cb 0.14 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1wrs n LYS 106 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00