#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 0.57 -3.89 1.08 0.02 -2.14 -3.43 113.55 105.77 1wrs h SER 5 Ca 0.00 -0.20 -0.52 0.00 -0.84 0.00 0.00 61.79 60.22 1wrs h SER 5 Cb 0.00 -0.15 0.07 0.00 0.14 0.00 0.00 62.40 62.46 1wrs h SER 5 CO 0.00 0.62 0.66 -2.84 -1.14 0.00 0.00 176.83 174.13 1wrs s PRO 6 N -5.41 4.33 0.54 3.45 0.02 -1.26 -5.03 135.00 131.63 1wrs s PRO 6 Ca -0.13 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.17 1wrs s PRO 6 Cb 0.10 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.58 1wrs s PRO 6 CO 0.76 -0.23 0.17 0.71 -0.33 0.00 0.00 177.00 178.08 1wrs s TYR 7 N -1.13 1.69 0.15 6.54 2.02 -1.26 -5.08 117.35 120.28 1wrs s TYR 7 Ca 0.49 -0.94 -0.31 0.00 -0.37 0.00 0.00 57.07 55.94 1wrs s TYR 7 Cb -0.41 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1wrs s TYR 7 CO 0.54 -0.08 1.51 -1.54 -1.57 0.00 0.00 175.55 174.41 1wrs s SER 8 N -4.06 6.66 0.00 2.29 1.04 -1.26 -5.00 113.70 113.37 1wrs s SER 8 Ca 0.15 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1wrs s SER 8 Cb -0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1wrs s SER 8 CO 0.09 -0.77 0.00 0.00 0.98 0.00 0.00 173.24 173.54 1wrs n ALA 9 N 3.94 0.00 -2.58 5.32 0.00 -1.26 -4.92 120.51 121.02 1wrs n ALA 9 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1wrs n ALA 9 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1wrs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs s ALA 10 N -3.61 2.85 0.48 0.00 0.00 -1.26 -5.00 121.76 115.22 1wrs s ALA 10 Ca 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1wrs s ALA 10 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 23.12 18.92 1wrs s ALA 10 CO 0.00 -3.05 0.79 1.41 0.00 0.00 0.00 175.76 174.91 1wrs s MET 11 N 5.38 3.57 -0.49 0.00 1.75 -1.26 -4.91 119.30 123.33 1wrs s MET 11 Ca 0.37 0.25 -0.38 0.00 -1.25 0.00 0.00 55.69 54.67 1wrs s MET 11 Cb -0.08 -2.37 -0.15 0.00 2.84 0.00 0.00 34.83 35.07 1wrs s MET 11 CO 0.18 -0.20 2.24 0.00 -0.65 0.00 0.00 175.02 176.59 1wrs n ALA 12 N -2.18 0.63 -3.24 4.11 0.00 -1.26 -4.83 120.51 113.73 1wrs n ALA 12 Ca 0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1wrs n ALA 12 Cb 0.55 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 1wrs n ALA 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wrs n GLU 13 N 7.99 3.30 -3.06 0.00 0.28 -1.26 -4.94 120.64 122.95 1wrs n GLU 13 Ca 0.50 -4.65 -0.00 0.00 -0.16 0.00 0.00 57.16 52.85 1wrs n GLU 13 Cb 0.11 -2.35 -0.00 0.00 1.43 0.00 0.00 31.44 30.63 1wrs n GLU 13 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1wrs n GLN 14 N 0.93 -1.20 -2.40 3.44 6.02 -1.26 -4.98 117.38 117.93 1wrs n GLN 14 Ca 0.29 1.34 -0.13 0.00 -0.01 0.00 0.00 57.00 58.49 1wrs n GLN 14 Cb 0.38 -2.07 0.04 0.00 1.02 0.00 0.00 30.24 29.61 1wrs n GLN 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wrs n ARG 15 N 1.28 0.76 0.00 -1.09 5.12 -1.26 -4.94 116.66 116.53 1wrs n ARG 15 Ca -0.01 -2.11 0.00 0.00 -1.93 0.00 0.00 57.85 53.80 1wrs n ARG 15 Cb 0.35 -0.12 0.00 0.00 -1.16 0.00 0.00 32.46 31.53 1wrs n ARG 15 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1wrs n HIS 16 N -1.79 0.00 0.00 -1.55 -0.00 -1.26 -4.33 115.22 106.29 1wrs n HIS 16 Ca 0.10 -0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1wrs n HIS 16 Cb 0.40 -0.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 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 0.51 0.00 -0.26 1.57 6.02 -1.26 -3.27 117.38 120.69 1wrs n GLN 17 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 57.00 57.22 1wrs n GLN 17 Cb 0.17 0.00 0.40 0.00 1.02 0.00 0.00 30.24 31.83 1wrs n GLN 17 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wrs n GLU 18 N 0.00 -0.03 0.02 -1.09 1.02 -1.26 0.26 120.64 119.56 1wrs n GLU 18 Ca 0.00 0.78 -0.13 0.00 -0.02 0.00 0.00 57.16 57.78 1wrs n GLU 18 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1wrs n GLU 18 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1wrs h TRP 19 N 0.00 -1.31 -0.56 -0.32 2.91 -1.76 -1.98 115.95 112.92 1wrs h TRP 19 Ca 0.53 0.05 0.08 0.00 1.13 0.00 0.00 58.89 60.68 1wrs h TRP 19 Cb 1.63 0.59 -0.06 0.00 -0.51 0.00 0.00 29.16 30.80 1wrs h TRP 19 CO -0.00 -0.51 0.21 1.25 -1.03 0.00 0.00 178.44 178.36 1wrs h LEU 20 N -0.55 0.22 -0.07 0.65 5.85 0.36 -2.99 115.31 118.78 1wrs h LEU 20 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1wrs h LEU 20 Cb 0.66 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1wrs h LEU 20 CO -0.38 0.15 -0.09 0.03 -0.34 0.00 0.00 178.44 177.80 1wrs h ARG 21 N 0.40 -0.06 -0.94 1.25 3.08 -1.25 0.34 114.38 117.20 1wrs h ARG 21 Ca 0.28 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.70 1wrs h ARG 21 Cb 0.31 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.23 1wrs h ARG 21 CO -0.27 -0.04 0.54 0.34 -1.07 0.00 0.00 179.97 179.47 1wrs n PHE 22 N -3.15 0.87 -0.03 3.04 7.35 -1.12 -0.01 117.46 124.40 1wrs n PHE 22 Ca -0.00 0.87 -0.13 0.00 -0.76 0.00 0.00 57.45 57.43 1wrs n PHE 22 Cb 0.05 -1.29 -0.11 0.00 0.35 0.00 0.00 39.48 38.48 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 1.53 -0.45 -2.13 2.07 -0.45 -2.90 116.25 113.92 1wrs h VAL 23 Ca 0.72 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1wrs h VAL 23 Cb 2.05 2.61 -0.06 0.00 -1.52 0.00 0.00 31.29 34.36 1wrs h VAL 23 CO -0.57 0.41 -0.31 -0.78 0.02 0.00 0.00 177.57 176.34 1wrs h ASP 24 N -0.68 -1.12 -0.39 0.57 1.82 0.24 -0.42 116.42 116.43 1wrs h ASP 24 Ca -0.00 0.17 0.07 0.00 -0.39 0.00 0.00 57.03 56.87 1wrs h ASP 24 Cb 0.67 0.49 -0.06 0.00 0.68 0.00 0.00 39.33 41.11 1wrs h ASP 24 CO 0.00 -0.15 0.04 -0.07 -1.61 0.00 0.00 179.24 177.45 1wrs h LEU 25 N -0.05 -0.07 -0.58 2.28 3.38 -1.65 -3.02 115.31 115.60 1wrs h LEU 25 Ca 0.07 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1wrs h LEU 25 Cb 0.25 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1wrs h LEU 25 CO -0.46 -0.00 -0.34 -0.11 0.09 0.00 0.00 178.44 177.62 1wrs n LEU 26 N -5.14 -0.62 0.08 1.67 0.00 -0.19 -0.73 117.00 112.08 1wrs n LEU 26 Ca 0.03 1.22 -0.04 0.00 0.00 0.00 0.00 56.01 57.21 1wrs n LEU 26 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 43.42 43.37 1wrs n LEU 26 CO 0.21 -0.93 0.51 0.50 0.00 0.00 0.00 177.39 177.68 1wrs h LYS 27 N 0.00 -0.23 0.00 1.96 3.64 -1.36 -1.27 116.57 119.31 1wrs h LYS 27 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1wrs h LYS 27 Cb 0.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1wrs h LYS 27 CO -0.55 -0.15 0.69 -0.91 -2.27 0.00 0.00 179.45 176.26 1wrs h ASN 28 N -0.24 0.00 0.18 4.20 2.35 -1.43 0.36 115.58 121.01 1wrs h ASN 28 Ca -0.02 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.39 1wrs h ASN 28 Cb 0.19 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1wrs h ASN 28 CO 0.02 0.00 -2.13 0.00 -1.65 0.00 0.00 177.43 173.67 1wrs n ALA 29 N -1.52 1.46 -0.36 -0.83 0.00 0.09 -4.19 120.51 115.16 1wrs n ALA 29 Ca -0.01 -1.07 0.05 0.00 0.00 0.00 0.00 53.44 52.41 1wrs n ALA 29 Cb 0.70 -0.44 0.20 0.00 0.00 0.00 0.00 19.45 19.91 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 1.14 0.00 0.00 5.03 0.89 0.79 116.97 124.82 1wrs h TYR 30 Ca -0.45 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.87 1wrs h TYR 30 Cb 2.13 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 40.04 1wrs h TYR 30 CO 0.01 0.51 -0.11 1.96 -1.32 0.00 0.00 178.16 179.21 1wrs h GLN 31 N 1.05 0.00 0.00 1.82 4.20 -1.74 -2.98 115.11 117.46 1wrs h GLN 31 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1wrs h GLN 31 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wrs h GLN 31 CO -0.22 0.11 -1.61 0.09 -0.67 0.00 0.00 178.83 176.53 1wrs n ASN 32 N -3.25 0.40 0.00 1.46 4.13 -0.09 -4.97 115.26 112.94 1wrs n ASN 32 Ca 0.00 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1wrs n ASN 32 Cb 0.37 1.61 0.00 0.00 -1.54 0.00 0.00 39.78 40.22 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 -1.96 -1.86 0.00 6.41 2.03 0.26 -4.92 116.55 116.51 1wrs n ASP 33 Ca -0.01 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.41 1wrs n ASP 33 Cb 0.47 -0.41 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wrs n LEU 34 N 0.00 0.54 -0.33 -2.67 7.99 -0.49 -4.38 117.00 117.66 1wrs n LEU 34 Ca 0.00 -0.20 0.27 0.00 -0.01 0.00 0.00 56.01 56.06 1wrs n LEU 34 Cb 0.14 -0.02 0.57 0.00 -0.11 0.00 0.00 43.42 44.00 1wrs n LEU 34 CO 0.00 0.11 1.24 1.12 -1.51 0.00 0.00 177.39 178.35 1wrs h HIS 35 N 0.00 0.52 0.54 -1.77 2.07 -1.83 -2.56 115.15 112.11 1wrs h HIS 35 Ca 0.00 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 1wrs h HIS 35 Cb 0.74 -0.15 0.01 0.00 2.57 0.00 0.00 27.41 30.58 1wrs h HIS 35 CO 0.00 0.02 -0.26 -0.07 -3.07 0.00 0.00 177.93 174.55 1wrs h LEU 36 N 0.28 -0.61 -1.50 6.12 3.38 -1.91 0.21 115.31 121.28 1wrs h LEU 36 Ca 0.61 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.89 1wrs h LEU 36 Cb 1.76 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.58 1wrs h LEU 36 CO -0.25 -0.35 0.71 -0.65 0.09 0.00 0.00 178.44 177.98 1wrs h PRO 37 N -0.89 0.29 0.05 1.13 0.10 -1.80 0.95 132.00 131.84 1wrs h PRO 37 Ca -0.07 -0.02 -0.27 0.00 0.10 0.00 0.00 66.00 65.74 1wrs h PRO 37 Cb 0.55 -0.07 0.02 0.00 0.10 0.00 0.00 31.00 31.61 1wrs h PRO 37 CO 0.12 0.19 -1.07 -0.07 0.10 0.00 0.00 178.00 177.27 1wrs h LEU 38 N 0.30 0.85 -2.41 2.35 3.38 -1.36 -3.15 115.31 115.27 1wrs h LEU 38 Ca 0.59 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1wrs h LEU 38 Cb 1.69 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1wrs h LEU 38 CO -0.24 1.53 0.17 -0.07 0.09 0.00 0.00 178.44 179.93 1wrs h LEU 39 N 0.27 0.00 -1.17 1.67 4.07 0.20 0.38 115.31 120.73 1wrs h LEU 39 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1wrs h LEU 39 Cb 1.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.48 1wrs h LEU 39 CO 0.21 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 178.16 1wrs n ASN 40 N -3.30 1.73 0.01 -0.43 5.03 -0.88 -4.02 115.26 113.40 1wrs n ASN 40 Ca -0.01 -1.82 -0.02 0.00 0.87 0.00 0.00 54.58 53.60 1wrs n ASN 40 Cb 0.26 -0.16 -0.01 0.00 -1.02 0.00 0.00 39.78 38.85 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1wrs n LEU 41 N 0.39 1.23 -0.31 3.41 4.77 0.13 -4.63 117.00 121.98 1wrs n LEU 41 Ca 0.14 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1wrs n LEU 41 Cb 0.31 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1wrs n LEU 41 CO 0.11 -0.62 0.19 1.15 -1.33 0.00 0.00 177.39 176.90 1wrs n MET 42 N -3.65 0.56 -4.03 3.23 0.00 -1.08 -4.69 117.12 107.47 1wrs n MET 42 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.59 1wrs n MET 42 Cb 0.13 -1.17 -0.09 0.00 0.00 0.00 0.00 33.22 32.08 1wrs n MET 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wrs s LEU 43 N -0.38 2.22 0.00 3.17 1.02 -1.26 -5.02 118.68 118.43 1wrs s LEU 43 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.28 1wrs s LEU 43 Cb 0.00 0.39 0.00 0.00 0.02 0.00 0.00 46.19 46.60 1wrs s LEU 43 CO 0.00 -0.61 0.00 0.41 0.02 0.00 0.00 176.35 176.17 1wrs n THR 44 N 0.19 0.00 -0.10 5.49 -1.04 -1.26 -4.84 114.28 112.72 1wrs n THR 44 Ca -0.15 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.68 1wrs n THR 44 Cb 0.61 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.67 0.28 -2.82 -0.04 -1.26 -4.22 135.00 127.61 1wrs n PRO 45 Ca 0.00 0.16 0.15 0.00 -0.04 0.00 0.00 63.50 63.77 1wrs n PRO 45 Cb 0.00 -1.56 0.80 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.01 0.00 -0.58 3.54 3.32 -2.00 -2.19 116.42 118.53 1wrs h ASP 46 Ca -0.55 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.44 1wrs h ASP 46 Cb 1.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.48 1wrs h ASP 46 CO -0.05 0.08 0.12 -0.33 -1.72 0.00 0.00 179.24 177.34 1wrs h GLU 47 N 0.00 0.94 -0.18 3.56 5.08 -1.97 -2.32 114.58 119.68 1wrs h GLU 47 Ca -0.00 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 1wrs h GLU 47 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1wrs h GLU 47 CO 0.01 0.88 -0.46 0.00 -1.00 0.00 0.00 179.01 178.44 1wrs h ARG 48 N 0.84 0.45 0.45 2.33 3.08 -1.59 -1.92 114.38 118.02 1wrs h ARG 48 Ca 0.18 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1wrs h ARG 48 Cb 0.38 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wrs h ARG 48 CO 0.01 0.82 -0.22 0.93 -1.07 0.00 0.00 179.97 180.44 1wrs h GLU 49 N 0.36 -0.58 -1.00 0.04 5.08 -1.27 -2.91 114.58 114.30 1wrs h GLU 49 Ca 0.02 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.56 1wrs h GLU 49 Cb 0.95 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1wrs h GLU 49 CO 0.08 -0.39 0.63 0.00 -1.00 0.00 0.00 179.01 178.33 1wrs h ALA 50 N -1.61 1.58 -0.03 3.43 0.00 -1.51 -2.84 119.26 118.28 1wrs h ALA 50 Ca -0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wrs h ALA 50 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wrs h ALA 50 CO 0.10 0.15 -0.13 -0.07 0.00 0.00 0.00 179.25 179.30 1wrs h LEU 51 N 0.93 -0.42 -0.66 0.00 3.38 -1.32 -2.21 115.31 115.01 1wrs h LEU 51 Ca 0.51 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.65 1wrs h LEU 51 Cb 0.59 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1wrs h LEU 51 CO -0.28 -0.12 -0.29 1.23 0.09 0.00 0.00 178.44 179.07 1wrs h GLY 52 N -0.14 0.10 0.00 0.83 0.00 -1.31 -2.57 103.07 99.98 1wrs h GLY 52 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1wrs h GLY 52 CO -0.10 -0.23 0.00 2.41 0.00 0.00 0.00 176.54 178.62 1wrs n THR 53 N -5.45 0.00 -0.35 4.70 -1.04 -0.86 0.82 114.28 112.09 1wrs n THR 53 Ca 0.06 0.95 0.02 0.00 -2.04 0.00 0.00 64.05 63.04 1wrs n THR 53 Cb 0.36 -1.39 0.09 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.01 0.00 -2.82 3.08 -1.25 1.35 114.38 114.73 1wrs h ARG 54 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1wrs h ARG 54 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wrs h ARG 54 CO 0.00 -0.01 -0.13 0.28 -1.07 0.00 0.00 179.97 179.04 1wrs h VAL 55 N -0.01 0.71 0.23 2.04 2.07 -0.88 0.89 116.25 121.30 1wrs h VAL 55 Ca 0.40 -0.54 -0.33 0.00 0.82 0.00 0.00 66.70 67.04 1wrs h VAL 55 Cb 0.65 1.33 0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1wrs h VAL 55 CO -0.96 0.13 -1.52 0.08 0.02 0.00 0.00 177.57 175.32 1wrs h ARG 56 N 0.00 0.48 -0.05 1.57 0.11 0.80 -2.76 114.38 114.53 1wrs h ARG 56 Ca -0.00 -0.82 -0.19 0.00 0.10 0.00 0.00 59.98 59.07 1wrs h ARG 56 Cb 0.32 0.30 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 1wrs h ARG 56 CO 0.02 1.39 -0.79 0.97 0.10 0.00 0.00 179.97 181.65 1wrs h ILE 57 N 0.13 1.40 0.45 0.08 -0.00 -0.48 -2.87 117.51 116.22 1wrs h ILE 57 Ca -0.26 -2.27 -0.02 0.00 -0.00 0.00 0.00 64.86 62.30 1wrs h ILE 57 Cb 2.14 2.23 0.00 0.00 -0.00 0.00 0.00 36.82 41.19 1wrs h ILE 57 CO 0.25 0.68 -0.22 0.58 -0.00 0.00 0.00 178.15 179.44 1wrs h VAL 58 N 0.24 0.00 -0.93 2.19 2.07 -0.91 -1.70 116.25 117.21 1wrs h VAL 58 Ca -0.04 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.62 1wrs h VAL 58 Cb 1.39 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.98 1wrs h VAL 58 CO 0.13 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 177.13 1wrs h GLU 59 N -0.64 -0.01 -0.36 1.57 4.39 -1.57 0.33 114.58 118.30 1wrs h GLU 59 Ca -0.06 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1wrs h GLU 59 Cb 0.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1wrs h GLU 59 CO 0.10 -0.00 0.15 0.93 -1.16 0.00 0.00 179.01 179.03 1wrs h GLU 60 N -0.01 0.31 -0.07 2.33 3.07 -1.45 -1.26 114.58 117.51 1wrs h GLU 60 Ca 0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1wrs h GLU 60 Cb 0.67 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1wrs h GLU 60 CO -0.96 0.21 0.00 1.28 -1.40 0.00 0.00 179.01 178.14 1wrs n LEU 61 N -4.97 0.56 -0.72 1.33 4.77 0.63 -3.54 117.00 115.05 1wrs n LEU 61 Ca 0.01 -0.25 0.05 0.00 -0.03 0.00 0.00 56.01 55.79 1wrs n LEU 61 Cb 0.11 -0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 1wrs n LEU 61 CO 0.29 0.12 0.31 -0.11 -1.33 0.00 0.00 177.39 176.67 1wrs n LEU 62 N -0.35 1.81 0.01 2.23 7.94 0.83 -4.84 117.00 124.63 1wrs n LEU 62 Ca 0.11 -2.83 -0.02 0.00 -1.11 0.00 0.00 56.01 52.16 1wrs n LEU 62 Cb 0.13 -0.29 -0.01 0.00 0.53 0.00 0.00 43.42 43.78 1wrs n LEU 62 CO 0.08 0.87 -0.15 -1.14 -1.11 0.00 0.00 177.39 175.94 1wrs n ARG 63 N -0.59 0.11 0.00 1.96 0.00 -0.93 -4.93 116.66 112.28 1wrs n ARG 63 Ca 0.12 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1wrs n ARG 63 Cb 0.81 -0.65 0.00 0.00 0.00 0.00 0.00 32.46 32.61 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wrs n GLY 64 N 3.00 0.92 1.83 5.14 0.00 -1.26 -5.11 105.19 109.71 1wrs n GLY 64 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 0.00 1.61 -0.58 -1.26 -5.08 120.64 115.33 1wrs n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wrs n GLU 65 Cb 0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.80 1wrs n GLU 65 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1wrs n MET 66 N -3.34 0.00 -2.74 3.49 1.56 -1.26 -4.87 117.12 109.95 1wrs n MET 66 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.35 1wrs n MET 66 Cb 0.00 0.00 0.06 0.00 2.15 0.00 0.00 33.22 35.43 1wrs n MET 66 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1wrs n SER 67 N 0.17 -2.73 0.05 6.12 3.41 -1.26 -4.61 113.62 114.77 1wrs n SER 67 Ca 0.00 -3.35 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1wrs n SER 67 Cb 0.00 1.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 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 1.35 0.00 -0.06 4.33 6.02 -1.26 -4.74 117.38 123.01 1wrs n GLN 68 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1wrs n GLN 68 Cb 0.65 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.54 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 -3.28 0.78 -0.65 -1.09 3.00 -1.26 -3.97 116.66 110.20 1wrs n ARG 69 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1wrs n ARG 69 Cb 0.13 -1.11 0.19 0.00 0.00 0.00 0.00 32.46 31.67 1wrs n ARG 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wrs n GLU 70 N 0.77 2.67 -1.85 -0.14 -0.00 -1.26 -4.93 120.64 115.90 1wrs n GLU 70 Ca 0.00 -1.90 -0.30 0.00 -0.00 0.00 0.00 57.16 54.96 1wrs n GLU 70 Cb 0.39 -1.86 0.19 0.00 -0.00 0.00 0.00 31.44 30.16 1wrs n GLU 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wrs s LEU 71 N -1.85 2.52 -0.33 -1.84 1.02 -1.25 -4.86 118.68 112.08 1wrs s LEU 71 Ca 0.34 0.29 -0.11 0.00 0.02 0.00 0.00 54.13 54.67 1wrs s LEU 71 Cb 0.27 -2.28 -0.01 0.00 0.02 0.00 0.00 46.19 44.19 1wrs s LEU 71 CO 0.08 -2.90 0.20 -0.75 0.02 0.00 0.00 176.35 173.00 1wrs s LYS 72 N -5.85 3.35 0.00 1.70 2.36 -1.26 -4.93 119.74 115.10 1wrs s LYS 72 Ca 0.74 -0.73 0.00 0.00 -2.55 0.00 0.00 55.97 53.43 1wrs s LYS 72 Cb -0.04 -3.69 0.00 0.00 -1.05 0.00 0.00 37.83 33.05 1wrs s LYS 72 CO 0.53 -0.46 0.00 0.09 1.55 0.00 0.00 175.35 177.06 1wrs n ASN 73 N 5.04 0.00 0.00 1.43 3.02 -1.26 -5.02 115.26 118.47 1wrs n ASN 73 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1wrs n ASN 73 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1wrs n ASN 73 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wrs n GLU 74 N 0.00 3.36 0.00 3.52 0.00 -1.26 -4.89 120.64 121.37 1wrs n GLU 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1wrs n GLU 74 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 31.44 31.10 1wrs n GLU 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1wrs n LEU 75 N -0.08 0.00 0.08 -1.84 4.77 -1.26 -4.83 117.00 113.83 1wrs n LEU 75 Ca 0.00 -0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 55.54 1wrs n LEU 75 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1wrs n LEU 75 CO 0.00 0.00 0.51 1.23 -1.33 0.00 0.00 177.39 177.80 1wrs h GLY 76 N 0.00 -0.84 0.00 -0.72 0.00 -1.94 -3.48 103.07 96.09 1wrs h GLY 76 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1wrs h GLY 76 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.25 1wrs n ALA 77 N -2.40 0.00 0.00 3.60 0.00 -1.26 -5.09 120.51 115.36 1wrs n ALA 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1wrs n ALA 77 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.14 1.94 0.36 0.00 0.00 -1.26 -4.97 105.19 100.12 1wrs n GLY 78 Ca 0.00 0.05 0.34 0.00 0.00 0.00 0.00 46.02 46.40 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 0.02 0.60 -0.61 6.09 -1.95 -0.05 117.51 121.61 1wrs h ILE 79 Ca 0.00 -0.01 -0.03 0.00 -1.37 0.00 0.00 64.86 63.45 1wrs h ILE 79 Cb 0.00 -0.00 0.01 0.00 0.47 0.00 0.00 36.82 37.29 1wrs h ILE 79 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 178.15 174.79 1wrs h ALA 80 N 1.89 -0.92 -1.04 0.18 0.00 -2.01 -2.89 119.26 114.47 1wrs h ALA 80 Ca 0.85 -0.18 0.41 0.00 0.00 0.00 0.00 54.91 56.00 1wrs h ALA 80 Cb 2.37 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 20.32 1wrs h ALA 80 CO -0.68 -0.86 0.60 2.41 0.00 0.00 0.00 179.25 180.71 1wrs n THR 81 N -4.86 -0.35 0.15 0.00 -1.04 -0.06 0.81 114.28 108.93 1wrs n THR 81 Ca -0.10 1.85 0.07 0.00 -2.04 0.00 0.00 64.05 63.82 1wrs n THR 81 Cb 0.32 -3.01 0.06 0.00 -1.82 0.00 0.00 70.33 65.88 1wrs n THR 81 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1wrs h ILE 82 N 0.00 0.40 0.40 12.58 3.07 -1.48 -3.21 117.51 129.28 1wrs h ILE 82 Ca 0.81 -1.60 -0.02 0.00 1.55 0.00 0.00 64.86 65.60 1wrs h ILE 82 Cb 2.28 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 40.95 1wrs h ILE 82 CO -0.64 0.23 -0.19 0.74 -1.05 0.00 0.00 178.15 177.24 1wrs h THR 83 N 0.00 0.57 0.00 0.16 2.02 0.62 -2.84 112.91 113.45 1wrs h THR 83 Ca -0.02 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1wrs h THR 83 Cb 1.22 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1wrs h THR 83 CO 0.03 0.07 0.00 -2.11 0.37 0.00 0.00 175.52 173.88 1wrs n ARG 84 N -5.23 0.02 0.08 6.66 0.00 -1.19 -2.80 116.66 114.21 1wrs n ARG 84 Ca -0.10 0.17 -0.09 0.00 -0.00 0.00 0.00 57.85 57.83 1wrs n ARG 84 Cb 0.28 -1.50 -0.01 0.00 -0.00 0.00 0.00 32.46 31.23 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 3.23 0.22 0.00 2.89 0.00 -1.50 -2.95 103.07 104.96 1wrs h GLY 85 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1wrs h GLY 85 CO 0.00 0.34 -0.40 1.48 0.00 0.00 0.00 176.54 177.96 1wrs h SER 86 N 0.11 0.00 0.00 0.19 4.64 -1.39 -3.31 113.55 113.79 1wrs h SER 86 Ca -0.04 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1wrs h SER 86 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1wrs h SER 86 CO 0.13 0.88 0.00 0.59 -0.87 0.00 0.00 176.83 177.57 1wrs n ASN 87 N -4.63 0.07 -0.56 4.97 3.02 -1.17 -3.88 115.26 113.08 1wrs n ASN 87 Ca -0.11 -0.91 0.45 0.00 -0.03 0.00 0.00 54.58 53.99 1wrs n ASN 87 Cb 0.32 -0.04 0.77 0.00 -0.61 0.00 0.00 39.78 40.22 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 0.09 0.05 -0.74 6.41 0.02 -1.61 0.50 113.55 118.27 1wrs h SER 88 Ca 0.00 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.13 1wrs h SER 88 Cb 0.04 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.50 1wrs h SER 88 CO 0.00 -0.03 0.23 -0.07 -1.14 0.00 0.00 176.83 175.82 1wrs h LEU 89 N 0.02 0.14 0.00 5.07 3.38 -1.89 -3.03 115.31 119.00 1wrs h LEU 89 Ca 0.82 0.13 -0.16 0.00 0.09 0.00 0.00 57.88 58.76 1wrs h LEU 89 Cb 3.15 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 44.02 1wrs h LEU 89 CO -0.09 0.02 -1.36 0.29 0.09 0.00 0.00 178.44 177.39 1wrs n LYS 90 N -5.09 0.35 -0.36 1.13 5.02 0.15 -4.56 118.16 114.81 1wrs n LYS 90 Ca 0.14 0.15 0.31 0.00 -2.02 0.00 0.00 58.31 56.89 1wrs n LYS 90 Cb 0.44 -1.10 0.47 0.00 -0.02 0.00 0.00 35.03 34.82 1wrs n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wrs n ALA 91 N -3.93 1.10 -2.29 7.82 0.00 0.19 -4.33 120.51 119.06 1wrs n ALA 91 Ca -0.23 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1wrs n ALA 91 Cb 0.55 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 1wrs n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs s ALA 92 N -4.10 3.43 0.11 0.00 0.00 -1.14 -4.99 121.76 115.07 1wrs s ALA 92 Ca -0.03 -0.37 -0.35 0.00 0.00 0.00 0.00 51.96 51.21 1wrs s ALA 92 Cb 0.15 -2.57 -0.15 0.00 0.00 0.00 0.00 23.12 20.55 1wrs s ALA 92 CO 0.51 -0.04 1.48 -2.30 0.00 0.00 0.00 175.76 175.41 1wrs n PRO 93 N -1.46 1.66 0.08 0.00 -0.02 -1.26 -4.80 135.00 129.20 1wrs n PRO 93 Ca 0.01 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 1wrs n PRO 93 Cb 0.54 -2.31 0.33 0.00 -0.02 0.00 0.00 33.50 32.04 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 3.06 1.38 1.06 -1.45 0.31 -1.26 -0.97 118.33 120.46 1wrs n VAL 94 Ca 0.18 0.54 0.11 0.00 -0.01 0.00 0.00 64.34 65.16 1wrs n VAL 94 Cb 0.24 -1.51 0.34 0.00 -0.91 0.00 0.00 33.84 32.00 1wrs n VAL 94 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wrs n GLU 95 N -1.89 1.87 -0.10 5.55 -0.58 -1.26 -4.22 120.64 120.00 1wrs n GLU 95 Ca 0.00 -1.31 -0.22 0.00 -0.42 0.00 0.00 57.16 55.21 1wrs n GLU 95 Cb 0.06 -1.41 -0.11 0.00 -0.57 0.00 0.00 31.44 29.40 1wrs n GLU 95 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1wrs n LEU 96 N 0.53 1.87 -0.35 -4.62 7.94 -0.14 -4.14 117.00 118.09 1wrs n LEU 96 Ca 0.16 0.42 0.27 0.00 -1.11 0.00 0.00 56.01 55.75 1wrs n LEU 96 Cb 0.38 -0.96 0.53 0.00 0.53 0.00 0.00 43.42 43.89 1wrs n LEU 96 CO 0.13 0.30 1.15 -0.09 -1.11 0.00 0.00 177.39 177.76 1wrs h ARG 97 N -0.98 0.24 -0.90 1.96 9.65 -1.73 0.65 114.38 123.26 1wrs h ARG 97 Ca -0.36 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.54 1wrs h ARG 97 Cb 1.33 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.80 1wrs h ARG 97 CO -0.22 0.16 0.58 1.96 2.80 0.00 0.00 179.97 185.25 1wrs h GLN 98 N 0.25 1.10 0.00 0.20 4.20 -1.79 -2.55 115.11 116.51 1wrs h GLN 98 Ca 0.75 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.40 1wrs h GLN 98 Cb 1.91 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.44 1wrs h GLN 98 CO -0.55 0.73 -0.17 2.35 -0.67 0.00 0.00 178.83 180.52 1wrs h TRP 99 N 1.13 0.00 -1.16 2.96 7.01 0.06 -3.38 115.95 122.58 1wrs h TRP 99 Ca 0.36 0.00 0.43 0.00 2.11 0.00 0.00 58.89 61.78 1wrs h TRP 99 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 29.16 26.91 1wrs h TRP 99 CO -0.02 0.00 0.69 -0.07 -2.79 0.00 0.00 178.44 176.26 1wrs h LEU 100 N -0.68 0.30 -1.96 0.65 -0.00 -1.22 1.29 115.31 113.69 1wrs h LEU 100 Ca 0.00 0.20 0.42 0.00 -0.00 0.00 0.00 57.88 58.50 1wrs h LEU 100 Cb 0.17 0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.97 1wrs h LEU 100 CO 0.00 -0.31 1.07 -0.33 -0.00 0.00 0.00 178.44 178.87 1wrs h GLU 101 N 0.06 0.00 0.01 1.13 4.39 -1.62 1.51 114.58 120.05 1wrs h GLU 101 Ca 0.84 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 60.21 1wrs h GLU 101 Cb 2.39 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.98 1wrs h GLU 101 CO -0.60 0.00 -2.03 0.39 -1.16 0.00 0.00 179.01 175.61 1wrs n GLU 102 N -4.03 0.66 0.00 2.33 1.02 0.44 -2.56 120.64 118.50 1wrs n GLU 102 Ca 0.32 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.75 1wrs n GLU 102 Cb 1.53 -1.67 0.36 0.00 -0.02 0.00 0.00 31.44 31.63 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 -2.96 0.00 -0.11 2.62 0.31 0.24 -3.36 118.33 115.08 1wrs n VAL 103 Ca -0.25 -0.08 -0.23 0.00 -0.01 0.00 0.00 64.34 63.76 1wrs n VAL 103 Cb 1.09 0.31 -0.08 0.00 -0.91 0.00 0.00 33.84 34.25 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 -0.95 1.66 -0.00 7.52 7.94 0.45 -4.31 117.00 129.31 1wrs n LEU 104 Ca 0.10 0.25 -0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1wrs n LEU 104 Cb 0.34 -0.66 -0.00 0.00 0.53 0.00 0.00 43.42 43.63 1wrs n LEU 104 CO 0.29 0.49 0.03 0.25 -1.11 0.00 0.00 177.39 177.34 1wrs h LEU 105 N -0.75 -0.01 -0.44 -1.96 7.12 -1.60 -3.32 115.31 114.35 1wrs h LEU 105 Ca -0.56 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.45 1wrs h LEU 105 Cb 1.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1wrs h LEU 105 CO -0.33 0.06 0.08 1.17 -0.13 0.00 0.00 178.44 179.29 1wrs n LYS 106 N -2.43 0.04 -0.61 1.25 4.81 -1.21 -5.06 118.16 114.95 1wrs n LYS 106 Ca -0.00 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1wrs n LYS 106 Cb 0.01 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1wrs n LYS 106 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44