#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 0.32 -4.11 1.08 4.64 -2.07 -3.47 113.55 109.95 1wrs h SER 5 Ca 0.00 -0.82 -0.49 0.00 -0.47 0.00 0.00 61.79 60.01 1wrs h SER 5 Cb 0.00 -0.11 0.06 0.00 -0.31 0.00 0.00 62.40 62.04 1wrs h SER 5 CO 0.00 1.64 0.40 -2.16 -0.87 0.00 0.00 176.83 175.84 1wrs s PRO 6 N -2.47 3.46 -0.61 4.77 0.05 -1.26 -4.95 135.00 133.99 1wrs s PRO 6 Ca -0.22 1.42 -0.28 0.00 0.05 0.00 0.00 61.00 61.97 1wrs s PRO 6 Cb 0.05 -2.04 0.03 0.00 0.05 0.00 0.00 34.50 32.59 1wrs s PRO 6 CO 0.74 -0.72 1.25 0.71 0.05 0.00 0.00 177.00 179.03 1wrs s TYR 7 N -2.04 2.48 0.00 0.56 1.51 -1.26 -4.45 117.35 114.15 1wrs s TYR 7 Ca 0.68 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 57.08 1wrs s TYR 7 Cb -0.19 -4.52 0.00 0.00 -0.11 0.00 0.00 41.96 37.14 1wrs s TYR 7 CO 0.28 -1.76 0.00 0.45 -1.11 0.00 0.00 175.55 173.41 1wrs n SER 8 N 8.86 0.00 -3.63 2.29 2.88 -1.26 -5.14 113.62 117.61 1wrs n SER 8 Ca 0.08 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.50 1wrs n SER 8 Cb 0.49 0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 64.12 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs s ALA 9 N -1.50 -1.86 0.00 -1.46 0.00 -1.26 -4.58 121.76 111.09 1wrs s ALA 9 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1wrs s ALA 9 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1wrs s ALA 9 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.47 1wrs n ALA 10 N 2.47 0.13 -0.35 0.00 0.00 -1.26 -4.71 120.51 116.79 1wrs n ALA 10 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wrs n ALA 10 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1wrs n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs n MET 11 N -1.11 0.66 -3.57 0.00 0.00 -1.26 -5.13 117.12 106.72 1wrs n MET 11 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.62 1wrs n MET 11 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 33.22 33.13 1wrs n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wrs s ALA 12 N 0.00 -1.95 -0.35 3.17 0.00 -1.26 -5.12 121.76 116.25 1wrs s ALA 12 Ca 0.00 1.51 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 1wrs s ALA 12 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1wrs s ALA 12 CO 0.00 -0.42 1.12 -1.21 0.00 0.00 0.00 175.76 175.25 1wrs s GLU 13 N -1.69 3.98 -0.13 0.00 2.02 -1.26 -4.78 118.70 116.84 1wrs s GLU 13 Ca 0.02 1.00 -0.29 0.00 0.02 0.00 0.00 54.97 55.72 1wrs s GLU 13 Cb -0.01 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1wrs s GLU 13 CO -0.02 -1.02 1.22 -0.65 0.02 0.00 0.00 175.26 174.81 1wrs s GLN 14 N 3.87 4.28 -1.29 1.61 -0.21 -1.26 -4.94 119.66 121.72 1wrs s GLN 14 Ca 0.47 1.64 -0.14 0.00 0.02 0.00 0.00 55.36 57.36 1wrs s GLN 14 Cb -0.12 -3.69 0.13 0.00 1.00 0.00 0.00 33.01 30.33 1wrs s GLN 14 CO 0.19 -0.61 1.74 0.54 -2.12 0.00 0.00 175.29 175.03 1wrs n ARG 15 N 6.11 3.31 0.00 2.91 1.74 -1.26 -3.79 116.66 125.68 1wrs n ARG 15 Ca 0.13 -3.45 0.00 0.00 -0.77 0.00 0.00 57.85 53.76 1wrs n ARG 15 Cb 0.45 -3.16 0.00 0.00 -1.02 0.00 0.00 32.46 28.73 1wrs n ARG 15 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wrs n HIS 16 N 5.94 0.00 0.00 -1.55 -0.00 -1.26 -4.89 115.22 113.45 1wrs n HIS 16 Ca 0.43 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.61 1wrs n HIS 16 Cb 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 1wrs n HIS 16 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1wrs n GLN 17 N 0.00 0.00 -0.41 1.57 7.27 -1.25 -2.58 117.38 121.99 1wrs n GLN 17 Ca 0.00 0.00 0.34 0.00 0.07 0.00 0.00 57.00 57.41 1wrs n GLN 17 Cb 0.00 -0.15 0.64 0.00 2.41 0.00 0.00 30.24 33.15 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 0.15 0.15 3.69 4.11 -1.96 0.85 114.58 121.57 1wrs h GLU 18 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.44 1wrs h GLU 18 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1wrs h GLU 18 CO 0.00 0.10 -0.29 2.35 0.07 0.00 0.00 179.01 181.24 1wrs h TRP 19 N 0.16 -0.80 -0.91 2.06 2.91 -1.91 -1.44 115.95 116.02 1wrs h TRP 19 Ca 0.71 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.81 1wrs h TRP 19 Cb 2.30 0.33 -0.06 0.00 -0.51 0.00 0.00 29.16 31.22 1wrs h TRP 19 CO -0.00 -0.40 0.59 1.25 -1.03 0.00 0.00 178.44 178.84 1wrs h LEU 20 N -0.53 0.91 0.00 0.65 7.12 0.96 -3.17 115.31 121.24 1wrs h LEU 20 Ca 0.02 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1wrs h LEU 20 Cb 0.55 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1wrs h LEU 20 CO -0.16 0.58 0.00 0.54 -0.13 0.00 0.00 178.44 179.27 1wrs n ARG 21 N -4.50 0.00 -0.18 1.25 5.12 -0.56 -0.49 116.66 117.31 1wrs n ARG 21 Ca 0.14 0.56 0.15 0.00 -1.93 0.00 0.00 57.85 56.77 1wrs n ARG 21 Cb 0.21 -1.32 0.28 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.87 0.56 0.20 -1.55 7.35 -1.13 0.38 117.46 121.40 1wrs n PHE 22 Ca 0.00 0.65 -0.11 0.00 -0.76 0.00 0.00 57.45 57.23 1wrs n PHE 22 Cb 0.00 -1.04 -0.06 0.00 0.35 0.00 0.00 39.48 38.73 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 0.29 -0.96 -2.13 2.07 -1.23 -2.82 116.25 111.47 1wrs h VAL 23 Ca 0.43 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.41 1wrs h VAL 23 Cb 1.08 0.45 -0.12 0.00 -1.52 0.00 0.00 31.29 31.19 1wrs h VAL 23 CO -0.45 0.06 -0.57 -0.67 0.02 0.00 0.00 177.57 175.96 1wrs n ASP 24 N -5.16 -1.02 -0.02 0.57 2.03 0.16 -0.24 116.55 112.87 1wrs n ASP 24 Ca -0.09 1.74 -0.09 0.00 0.52 0.00 0.00 54.79 56.87 1wrs n ASP 24 Cb 0.27 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.70 -0.55 -2.67 3.38 -1.59 -2.74 115.31 110.44 1wrs h LEU 25 Ca 0.15 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1wrs h LEU 25 Cb 0.40 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1wrs h LEU 25 CO -0.91 -0.27 -0.33 -0.11 0.09 0.00 0.00 178.44 176.92 1wrs n LEU 26 N -5.36 -0.59 0.00 1.67 0.00 0.67 -1.22 117.00 112.18 1wrs n LEU 26 Ca -0.02 1.42 0.00 0.00 0.00 0.00 0.00 56.01 57.41 1wrs n LEU 26 Cb 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 43.42 43.35 1wrs n LEU 26 CO 0.18 -1.02 0.35 1.17 0.00 0.00 0.00 177.39 178.06 1wrs n LYS 27 N -4.24 0.00 -0.27 1.96 0.00 -0.68 -1.59 118.16 113.34 1wrs n LYS 27 Ca 0.01 0.36 0.06 0.00 0.00 0.00 0.00 58.31 58.74 1wrs n LYS 27 Cb 0.14 -1.19 0.13 0.00 0.00 0.00 0.00 35.03 34.11 1wrs n LYS 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1wrs n ASN 28 N -1.31 -0.23 0.24 3.14 3.02 -1.06 -0.91 115.26 118.15 1wrs n ASN 28 Ca 0.00 1.27 -0.15 0.00 -0.03 0.00 0.00 54.58 55.67 1wrs n ASN 28 Cb 0.00 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 1wrs n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wrs h ALA 29 N 1.48 -0.61 -1.22 5.41 0.00 -1.09 -3.00 119.26 120.24 1wrs h ALA 29 Ca 0.37 -0.17 0.44 0.00 0.00 0.00 0.00 54.91 55.55 1wrs h ALA 29 Cb 0.62 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 1wrs h ALA 29 CO -0.75 -0.75 0.75 -0.92 0.00 0.00 0.00 179.25 177.57 1wrs h TYR 30 N -0.78 0.64 -0.86 0.00 5.03 -0.01 0.72 116.97 121.71 1wrs h TYR 30 Ca -0.06 0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.49 1wrs h TYR 30 Cb 0.54 -0.15 -0.13 0.00 1.55 0.00 0.00 36.73 38.55 1wrs h TYR 30 CO -0.01 -0.33 0.30 0.37 -1.32 0.00 0.00 178.16 177.18 1wrs h GLN 31 N 0.04 0.30 0.00 1.82 4.15 -1.37 -3.33 115.11 116.72 1wrs h GLN 31 Ca 0.85 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.25 1wrs h GLN 31 Cb 2.53 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 30.15 1wrs h GLN 31 CO -0.57 0.20 0.00 0.09 -1.93 0.00 0.00 178.83 176.62 1wrs n ASN 32 N -5.12 0.00 0.00 -0.69 4.13 0.24 -5.04 115.26 108.78 1wrs n ASN 32 Ca 0.20 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1wrs n ASN 32 Cb 0.63 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1wrs n ASN 32 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1wrs n ASP 33 N -1.47 0.00 -0.03 6.41 8.00 -0.89 -4.99 116.55 123.58 1wrs n ASP 33 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1wrs n ASP 33 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.00 0.85 -0.06 0.64 7.99 -1.23 -4.29 117.00 120.89 1wrs n LEU 34 Ca 0.00 -0.31 0.21 0.00 -0.01 0.00 0.00 56.01 55.90 1wrs n LEU 34 Cb 0.00 -0.10 0.66 0.00 -0.11 0.00 0.00 43.42 43.87 1wrs n LEU 34 CO 0.00 0.20 1.20 1.12 -1.51 0.00 0.00 177.39 178.41 1wrs h HIS 35 N 0.13 0.10 0.52 -1.77 2.07 -1.87 -1.57 115.15 112.76 1wrs h HIS 35 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.50 1wrs h HIS 35 Cb 0.51 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.46 1wrs h HIS 35 CO 0.00 0.04 -0.25 -0.07 -3.07 0.00 0.00 177.93 174.58 1wrs h LEU 36 N 0.08 -0.59 -0.76 6.12 3.38 -1.96 0.01 115.31 121.59 1wrs h LEU 36 Ca 0.30 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.33 1wrs h LEU 36 Cb 1.09 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1wrs h LEU 36 CO -0.03 -0.19 0.41 -0.65 0.09 0.00 0.00 178.44 178.07 1wrs h PRO 37 N -1.11 0.68 -0.60 1.13 0.10 -1.79 -1.88 132.00 128.53 1wrs h PRO 37 Ca -0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 66.00 65.98 1wrs h PRO 37 Cb 0.59 -0.15 -0.03 0.00 0.10 0.00 0.00 31.00 31.51 1wrs h PRO 37 CO 0.12 0.45 0.33 -0.07 0.10 0.00 0.00 178.00 178.93 1wrs h LEU 38 N 0.70 0.75 -0.48 2.35 -0.00 -1.30 -2.55 115.31 114.77 1wrs h LEU 38 Ca 0.36 -0.09 0.09 0.00 -0.00 0.00 0.00 57.88 58.25 1wrs h LEU 38 Cb 0.34 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 40.73 1wrs h LEU 38 CO -0.25 0.62 0.02 -0.07 -0.00 0.00 0.00 178.44 178.76 1wrs h LEU 39 N 0.81 -0.17 0.00 1.67 4.07 -0.18 0.30 115.31 121.81 1wrs h LEU 39 Ca 0.21 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1wrs h LEU 39 Cb 0.04 0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1wrs h LEU 39 CO -0.03 -0.05 0.05 0.59 -1.08 0.00 0.00 178.44 177.91 1wrs n ASN 40 N -5.21 0.00 -0.07 -0.43 4.13 -0.96 -2.48 115.26 110.24 1wrs n ASN 40 Ca 0.05 0.24 -0.08 0.00 1.68 0.00 0.00 54.58 56.48 1wrs n ASN 40 Cb 0.26 -0.24 -0.03 0.00 -1.54 0.00 0.00 39.78 38.23 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1wrs n LEU 41 N -1.21 1.80 -2.82 3.41 4.32 0.10 -4.62 117.00 117.98 1wrs n LEU 41 Ca 0.00 0.30 -0.35 0.00 -0.02 0.00 0.00 56.01 55.94 1wrs n LEU 41 Cb 0.05 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 1wrs n LEU 41 CO 0.00 -0.34 1.59 1.15 -1.22 0.00 0.00 177.39 178.57 1wrs n MET 42 N -4.30 2.85 0.00 3.23 0.00 -1.10 -4.84 117.12 112.96 1wrs n MET 42 Ca -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 57.70 54.43 1wrs n MET 42 Cb 0.44 -2.25 0.00 0.00 0.00 0.00 0.00 33.22 31.42 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 0.11 0.00 0.00 3.17 0.00 -1.04 -4.98 117.00 114.26 1wrs n LEU 43 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.53 1wrs n LEU 43 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.77 1wrs n LEU 43 CO 0.45 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.25 1wrs n THR 44 N -0.34 0.00 0.00 1.96 -1.04 -1.26 -4.34 114.28 109.26 1wrs n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wrs n THR 44 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.46 0.00 -0.05 -2.82 -0.04 -1.26 -4.63 135.00 124.74 1wrs n PRO 45 Ca 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.71 1wrs n PRO 45 Cb 0.00 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.13 1wrs n PRO 45 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wrs h ASP 46 N 0.00 0.00 0.07 3.54 3.58 -2.00 -1.98 116.42 119.64 1wrs h ASP 46 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wrs h ASP 46 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1wrs h ASP 46 CO 0.00 0.00 -0.20 -0.33 -2.88 0.00 0.00 179.24 175.83 1wrs h GLU 47 N 0.00 -0.30 -0.88 0.28 4.39 -1.98 0.68 114.58 116.78 1wrs h GLU 47 Ca 0.33 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.10 1wrs h GLU 47 Cb 1.74 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.41 1wrs h GLU 47 CO -0.00 -0.20 0.58 0.00 -1.16 0.00 0.00 179.01 178.22 1wrs h ARG 48 N -0.31 1.02 0.12 2.33 2.47 -1.62 -1.56 114.38 116.83 1wrs h ARG 48 Ca -0.01 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1wrs h ARG 48 Cb 0.30 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1wrs h ARG 48 CO -0.10 0.68 -0.06 0.93 0.56 0.00 0.00 179.97 181.98 1wrs h GLU 49 N 1.05 -0.16 -1.20 0.04 5.08 -1.33 -3.20 114.58 114.86 1wrs h GLU 49 Ca 0.36 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.08 1wrs h GLU 49 Cb 0.10 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1wrs h GLU 49 CO -0.12 -0.10 0.86 0.00 -1.00 0.00 0.00 179.01 178.65 1wrs h ALA 50 N -1.76 3.11 0.21 3.43 0.00 0.34 -2.63 119.26 121.96 1wrs h ALA 50 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wrs h ALA 50 Cb 0.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wrs h ALA 50 CO 0.03 -1.46 -0.10 -0.07 0.00 0.00 0.00 179.25 177.64 1wrs h LEU 51 N 0.02 -0.24 -1.96 0.00 4.07 -1.34 -2.45 115.31 113.41 1wrs h LEU 51 Ca 0.58 0.01 0.37 0.00 0.08 0.00 0.00 57.88 58.91 1wrs h LEU 51 Cb 2.28 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 44.03 1wrs h LEU 51 CO -0.02 -0.15 0.94 1.23 -1.08 0.00 0.00 178.44 179.36 1wrs h GLY 52 N -0.33 0.00 0.00 0.83 0.00 -1.47 -1.82 103.07 100.28 1wrs h GLY 52 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1wrs h GLY 52 CO 0.05 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.00 1wrs n THR 53 N -4.07 0.00 -0.32 4.70 -1.04 -1.06 -1.45 114.28 111.04 1wrs n THR 53 Ca 0.27 0.68 0.17 0.00 -2.04 0.00 0.00 64.05 63.14 1wrs n THR 53 Cb 1.35 -1.43 0.35 0.00 -1.82 0.00 0.00 70.33 68.79 1wrs n THR 53 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1wrs h ARG 54 N 0.00 0.13 -0.04 -2.82 0.11 -1.27 1.58 114.38 112.08 1wrs h ARG 54 Ca 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1wrs h ARG 54 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1wrs h ARG 54 CO 0.00 0.09 -0.12 0.28 0.10 0.00 0.00 179.97 180.32 1wrs h VAL 55 N 0.14 1.11 0.22 0.08 2.07 -1.43 0.28 116.25 118.71 1wrs h VAL 55 Ca 0.63 -0.49 -0.33 0.00 0.82 0.00 0.00 66.70 67.33 1wrs h VAL 55 Cb 1.37 1.21 0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1wrs h VAL 55 CO -0.74 0.15 -1.42 0.03 0.02 0.00 0.00 177.57 175.61 1wrs h ARG 56 N 0.05 0.55 -0.01 1.57 3.08 0.34 -2.77 114.38 117.19 1wrs h ARG 56 Ca 0.01 -0.88 -0.19 0.00 0.07 0.00 0.00 59.98 58.99 1wrs h ARG 56 Cb 0.24 0.32 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1wrs h ARG 56 CO 0.02 1.42 -0.84 0.97 -1.07 0.00 0.00 179.97 180.47 1wrs h ILE 57 N 0.17 1.48 0.83 2.04 -0.00 -0.71 -2.42 117.51 118.90 1wrs h ILE 57 Ca -0.24 -2.53 -0.04 0.00 -0.00 0.00 0.00 64.86 62.06 1wrs h ILE 57 Cb 2.11 2.40 0.00 0.00 -0.00 0.00 0.00 36.82 41.33 1wrs h ILE 57 CO 0.27 0.74 -0.43 0.58 -0.00 0.00 0.00 178.15 179.30 1wrs h VAL 58 N 0.12 0.00 -0.81 2.19 2.07 -0.53 -1.56 116.25 117.73 1wrs h VAL 58 Ca -0.04 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.71 1wrs h VAL 58 Cb 1.45 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1wrs h VAL 58 CO 0.13 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.96 1wrs h GLU 59 N -1.16 0.07 -0.21 1.57 5.08 -1.54 0.30 114.58 118.70 1wrs h GLU 59 Ca -0.11 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1wrs h GLU 59 Cb 0.90 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1wrs h GLU 59 CO 0.16 0.05 -0.15 1.49 -1.00 0.00 0.00 179.01 179.57 1wrs h GLU 60 N 0.08 0.35 0.00 2.33 4.81 -0.79 -2.42 114.58 118.93 1wrs h GLU 60 Ca 0.39 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.39 1wrs h GLU 60 Cb 1.44 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 1wrs h GLU 60 CO -0.04 0.50 -0.67 1.37 -0.73 0.00 0.00 179.01 179.44 1wrs h LEU 61 N 0.32 0.00 -2.27 1.64 8.10 0.44 -2.72 115.31 120.82 1wrs h LEU 61 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 1wrs h LEU 61 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1wrs h LEU 61 CO 0.03 0.67 0.00 -0.07 -4.11 0.00 0.00 178.44 174.96 1wrs h LEU 62 N 0.00 0.00 -3.09 0.17 3.38 -1.13 -0.17 115.31 114.48 1wrs h LEU 62 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1wrs h LEU 62 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1wrs h LEU 62 CO 0.09 0.00 -0.23 -1.14 0.09 0.00 0.00 178.44 177.25 1wrs n ARG 63 N -2.81 1.66 0.24 1.13 0.63 -1.04 -4.78 116.66 111.70 1wrs n ARG 63 Ca -0.02 -3.02 0.05 0.00 -0.92 0.00 0.00 57.85 53.94 1wrs n ARG 63 Cb 0.09 -1.64 0.11 0.00 0.45 0.00 0.00 32.46 31.47 1wrs n ARG 63 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1wrs h GLY 64 N 0.77 0.00 -1.55 5.14 0.00 -0.90 -0.48 103.07 106.05 1wrs h GLY 64 Ca 0.04 0.00 0.51 0.00 0.00 0.00 0.00 47.33 47.88 1wrs h GLY 64 CO 0.09 0.00 1.26 0.83 0.00 0.00 0.00 176.54 178.72 1wrs h GLU 65 N 0.00 0.01 -2.22 4.80 5.08 -1.86 -2.89 114.58 117.49 1wrs h GLU 65 Ca 0.08 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.91 1wrs h GLU 65 Cb 2.10 -0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.99 1wrs h GLU 65 CO -0.00 0.00 -0.91 -1.64 -1.00 0.00 0.00 179.01 175.46 1wrs s MET 66 N -4.91 0.89 0.00 2.33 -1.94 -0.19 -5.01 119.30 110.48 1wrs s MET 66 Ca -0.05 -1.92 0.00 0.00 -1.71 0.00 0.00 55.69 52.01 1wrs s MET 66 Cb 0.26 -1.24 0.00 0.00 2.01 0.00 0.00 34.83 35.86 1wrs s MET 66 CO 0.87 -1.37 0.00 0.43 -0.01 0.00 0.00 175.02 174.95 1wrs n SER 67 N 2.96 0.00 0.00 3.03 7.64 -1.09 -5.06 113.62 121.10 1wrs n SER 67 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wrs n SER 67 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wrs n GLN 68 N 0.00 0.54 0.00 1.43 6.02 -1.26 -4.67 117.38 119.45 1wrs n GLN 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wrs n GLN 68 Cb 0.00 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1wrs n GLN 68 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wrs n ARG 69 N -2.33 0.76 -0.19 -1.09 0.63 -1.26 -4.05 116.66 109.13 1wrs n ARG 69 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1wrs n ARG 69 Cb 0.45 -1.20 0.05 0.00 0.45 0.00 0.00 32.46 32.21 1wrs n ARG 69 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1wrs n GLU 70 N 0.46 1.42 -0.94 -0.14 0.28 -1.26 -4.94 120.64 115.52 1wrs n GLU 70 Ca 0.00 -0.55 -0.35 0.00 -0.16 0.00 0.00 57.16 56.10 1wrs n GLU 70 Cb 0.32 -1.39 0.06 0.00 1.43 0.00 0.00 31.44 31.86 1wrs n GLU 70 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1wrs n LEU 71 N 0.17 -4.41 -4.72 -1.84 -0.00 -1.26 -4.79 117.00 100.15 1wrs n LEU 71 Ca 0.08 0.19 -0.42 0.00 -0.00 0.00 0.00 56.01 55.87 1wrs n LEU 71 Cb 0.59 -0.85 -0.03 0.00 -0.00 0.00 0.00 43.42 43.13 1wrs n LEU 71 CO 0.09 -5.17 1.06 -1.59 -0.00 0.00 0.00 177.39 171.78 1wrs s LYS 72 N -2.41 4.32 -0.10 1.47 -2.85 -1.26 -4.86 119.74 114.05 1wrs s LYS 72 Ca 0.44 2.07 0.08 0.00 -1.00 0.00 0.00 55.97 57.56 1wrs s LYS 72 Cb -0.16 -3.25 0.41 0.00 -2.06 0.00 0.00 37.83 32.77 1wrs s LYS 72 CO 0.78 -0.43 1.17 -1.71 0.10 0.00 0.00 175.35 175.26 1wrs n ASN 73 N 3.92 3.15 -0.70 0.03 5.15 -1.26 -4.85 115.26 120.70 1wrs n ASN 73 Ca 0.11 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 1wrs n ASN 73 Cb 0.42 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1wrs n ASN 73 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1wrs n GLU 74 N 0.39 -1.19 0.00 1.20 0.28 -1.26 -4.37 120.64 115.68 1wrs n GLU 74 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1wrs n GLU 74 Cb 0.65 -3.41 0.00 0.00 1.43 0.00 0.00 31.44 30.11 1wrs n GLU 74 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1wrs n LEU 75 N -0.70 0.00 -0.04 -1.84 7.94 -1.26 -4.90 117.00 116.21 1wrs n LEU 75 Ca 0.00 -0.19 -0.04 0.00 -1.11 0.00 0.00 56.01 54.67 1wrs n LEU 75 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1wrs n LEU 75 CO 0.00 0.00 -0.28 0.61 -1.11 0.00 0.00 177.39 176.61 1wrs n GLY 76 N 1.05 -0.49 0.00 -3.96 0.00 -1.26 -5.09 105.19 95.44 1wrs n GLY 76 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.32 0.00 0.00 4.61 0.00 -1.26 -5.12 120.51 115.42 1wrs n ALA 77 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wrs n ALA 77 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 1.87 1.60 0.51 0.00 0.00 -1.26 -4.84 105.19 103.06 1wrs n GLY 78 Ca 0.00 -0.68 0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.36 0.00 0.00 -0.61 0.13 -1.26 -2.10 119.36 115.16 1wrs n ILE 79 Ca 0.00 1.13 0.00 0.00 -1.10 0.00 0.00 62.75 62.78 1wrs n ILE 79 Cb 0.00 -1.96 0.00 0.00 -0.84 0.00 0.00 39.64 36.84 1wrs n ILE 79 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wrs n ALA 80 N -2.37 -0.06 -0.58 1.51 0.00 -1.26 -1.43 120.51 116.32 1wrs n ALA 80 Ca 0.27 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.15 1wrs n ALA 80 Cb 1.45 0.00 0.70 0.00 0.00 0.00 0.00 19.45 21.60 1wrs n ALA 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wrs n THR 81 N -0.74 -0.05 0.02 0.00 5.66 -0.89 0.97 114.28 119.25 1wrs n THR 81 Ca 0.00 1.37 -0.06 0.00 -3.05 0.00 0.00 64.05 62.31 1wrs n THR 81 Cb 0.00 -2.28 -0.11 0.00 -1.55 0.00 0.00 70.33 66.39 1wrs n THR 81 CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 175.07 172.18 1wrs h ILE 82 N 0.00 0.99 0.30 1.09 3.07 -1.57 -3.20 117.51 118.20 1wrs h ILE 82 Ca 0.82 -2.71 -0.01 0.00 1.55 0.00 0.00 64.86 64.51 1wrs h ILE 82 Cb 3.16 2.45 -0.02 0.00 -0.27 0.00 0.00 36.82 42.14 1wrs h ILE 82 CO -0.10 0.56 -0.33 0.74 -1.05 0.00 0.00 178.15 177.98 1wrs h THR 83 N 0.00 0.00 0.00 0.16 2.02 0.18 -1.59 112.91 113.68 1wrs h THR 83 Ca -0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1wrs h THR 83 Cb 1.84 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1wrs h THR 83 CO 0.08 0.00 -0.06 0.08 0.37 0.00 0.00 175.52 175.99 1wrs h ARG 84 N -0.63 0.00 0.00 6.66 -0.00 -1.75 0.17 114.38 118.83 1wrs h ARG 84 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 1wrs h ARG 84 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.52 1wrs h ARG 84 CO -0.05 0.06 0.00 0.41 -0.00 0.00 0.00 179.97 180.39 1wrs n GLY 85 N -0.98 -0.35 0.69 0.08 0.00 -0.61 -0.93 105.19 103.09 1wrs n GLY 85 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wrs n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wrs n SER 86 N -0.78 0.16 -0.91 1.61 2.88 -0.22 -4.51 113.62 111.84 1wrs n SER 86 Ca 0.05 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.66 1wrs n SER 86 Cb 0.02 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.70 1wrs n SER 86 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wrs n ASN 87 N -1.90 2.64 -0.33 -3.46 3.02 -0.12 -4.43 115.26 110.68 1wrs n ASN 87 Ca 0.00 -2.02 0.28 0.00 -0.03 0.00 0.00 54.58 52.81 1wrs n ASN 87 Cb 0.03 -0.33 0.53 0.00 -0.61 0.00 0.00 39.78 39.40 1wrs n ASN 87 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1wrs h SER 88 N 2.83 0.39 0.00 6.41 0.02 -1.23 -0.86 113.55 121.11 1wrs h SER 88 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1wrs h SER 88 Cb 0.68 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1wrs h SER 88 CO 0.01 -0.30 0.00 0.18 -1.14 0.00 0.00 176.83 175.58 1wrs n LEU 89 N -5.17 0.00 -0.34 5.07 4.77 -1.26 -3.23 117.00 116.84 1wrs n LEU 89 Ca 0.35 0.76 0.05 0.00 -0.03 0.00 0.00 56.01 57.13 1wrs n LEU 89 Cb 1.14 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 42.10 1wrs n LEU 89 CO 0.05 -0.26 0.67 0.50 -1.33 0.00 0.00 177.39 177.02 1wrs h LYS 90 N 0.00 -0.00 -0.56 3.23 1.63 -1.75 -1.78 116.57 117.34 1wrs h LYS 90 Ca 0.00 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1wrs h LYS 90 Cb 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.56 1wrs h LYS 90 CO 0.00 -0.00 -0.33 0.00 -3.45 0.00 0.00 179.45 175.67 1wrs n ALA 91 N -3.54 -0.36 0.03 5.00 0.00 -0.38 -4.81 120.51 116.44 1wrs n ALA 91 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1wrs n ALA 91 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.28 0.00 -1.55 0.00 0.00 -0.67 -5.05 120.51 109.95 1wrs n ALA 92 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1wrs n ALA 92 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.56 0.46 -0.06 0.00 -0.02 -1.25 -4.52 135.00 127.04 1wrs n PRO 93 Ca 0.00 -0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 60.58 1wrs n PRO 93 Cb 0.00 -3.35 -0.05 0.00 -0.02 0.00 0.00 33.50 30.08 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 8.37 0.71 0.31 -1.45 0.31 -1.26 -4.54 118.33 120.78 1wrs n VAL 94 Ca 0.49 -0.22 0.16 0.00 -0.01 0.00 0.00 64.34 64.76 1wrs n VAL 94 Cb 0.40 -1.35 0.71 0.00 -0.91 0.00 0.00 33.84 32.69 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 -0.26 0.00 -0.81 5.55 5.08 -1.98 -3.00 114.58 119.16 1wrs h GLU 95 Ca -0.31 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1wrs h GLU 95 Cb 1.35 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 1wrs h GLU 95 CO -0.13 0.00 0.36 1.25 -1.00 0.00 0.00 179.01 179.49 1wrs h LEU 96 N 0.00 0.37 -1.45 1.33 5.85 -1.92 0.18 115.31 119.68 1wrs h LEU 96 Ca 0.00 0.11 0.17 0.00 0.84 0.00 0.00 57.88 59.00 1wrs h LEU 96 Cb 0.35 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1wrs h LEU 96 CO 0.00 0.13 0.57 0.03 -0.34 0.00 0.00 178.44 178.83 1wrs h ARG 97 N 0.50 0.48 -0.24 1.25 -0.00 -1.83 0.33 114.38 114.88 1wrs h ARG 97 Ca 0.45 -0.03 0.07 0.00 -0.50 0.00 0.00 59.98 59.98 1wrs h ARG 97 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.56 1wrs h ARG 97 CO -0.41 0.32 0.43 -0.56 0.00 0.00 0.00 179.97 179.75 1wrs h GLN 98 N 0.50 0.00 0.00 0.04 3.07 -0.84 -2.23 115.11 115.65 1wrs h GLN 98 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.19 1wrs h GLN 98 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 1wrs h GLN 98 CO -0.18 0.00 -0.53 1.87 0.09 0.00 0.00 178.83 180.08 1wrs n TRP 99 N -3.32 0.00 -0.65 0.06 -0.00 0.11 -4.58 117.44 109.05 1wrs n TRP 99 Ca 0.04 0.00 0.50 0.00 -0.00 0.00 0.00 57.50 58.04 1wrs n TRP 99 Cb 0.55 -0.27 0.80 0.00 -0.00 0.00 0.00 31.31 32.39 1wrs n TRP 99 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wrs h LEU 100 N -0.53 0.03 -1.37 5.87 -0.00 -1.22 1.03 115.31 119.12 1wrs h LEU 100 Ca 0.00 0.02 0.33 0.00 -0.00 0.00 0.00 57.88 58.23 1wrs h LEU 100 Cb 0.53 0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 41.11 1wrs h LEU 100 CO 0.00 -0.03 0.73 1.05 -0.00 0.00 0.00 178.44 180.18 1wrs h GLU 101 N 0.00 0.27 0.00 1.13 4.11 -1.65 1.71 114.58 120.15 1wrs h GLU 101 Ca 0.91 -0.02 -0.25 0.00 0.07 0.00 0.00 59.36 60.07 1wrs h GLU 101 Cb 3.55 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 32.70 1wrs h GLU 101 CO -0.07 0.18 -1.69 0.39 0.07 0.00 0.00 179.01 177.89 1wrs n GLU 102 N -4.66 0.63 0.00 1.06 1.02 0.35 -2.71 120.64 116.34 1wrs n GLU 102 Ca 0.30 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.80 1wrs n GLU 102 Cb 1.07 -1.77 0.36 0.00 -0.02 0.00 0.00 31.44 31.08 1wrs n GLU 102 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wrs n VAL 103 N -2.95 0.00 -0.09 2.62 0.31 0.11 -3.40 118.33 114.93 1wrs n VAL 103 Ca -0.16 -0.28 -0.19 0.00 -0.01 0.00 0.00 64.34 63.69 1wrs n VAL 103 Cb 0.99 0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 34.62 1wrs n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1wrs n LEU 104 N 0.27 1.46 0.00 7.52 7.94 0.54 -4.51 117.00 130.23 1wrs n LEU 104 Ca 0.16 0.25 0.09 0.00 -1.11 0.00 0.00 56.01 55.40 1wrs n LEU 104 Cb 0.42 -0.60 0.40 0.00 0.53 0.00 0.00 43.42 44.17 1wrs n LEU 104 CO 0.19 0.29 0.80 0.00 -1.11 0.00 0.00 177.39 177.56 1wrs n LEU 105 N -3.94 0.02 0.33 -1.96 -0.00 -1.10 -3.18 117.00 107.17 1wrs n LEU 105 Ca -0.35 0.50 0.15 0.00 -0.00 0.00 0.00 56.01 56.31 1wrs n LEU 105 Cb 0.72 -0.50 0.80 0.00 -0.00 0.00 0.00 43.42 44.43 1wrs n LEU 105 CO 0.04 -0.19 1.11 0.07 -0.00 0.00 0.00 177.39 178.42 1wrs h LYS 106 N 0.00 0.00 0.00 1.47 5.09 -1.78 -3.51 116.57 117.84 1wrs h LYS 106 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1wrs h LYS 106 Cb 0.32 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.65 1wrs h LYS 106 CO 0.00 0.00 0.00 -1.13 -2.09 0.00 0.00 179.45 176.23