#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrs s SER 5 N 0.00 3.98 0.42 1.69 1.04 -1.26 -4.91 113.70 114.65 1wrs s SER 5 Ca 0.00 1.43 0.12 0.00 0.48 0.00 0.00 55.95 57.98 1wrs s SER 5 Cb 0.00 -2.13 0.97 0.00 0.10 0.00 0.00 66.02 64.96 1wrs s SER 5 CO 0.00 -2.31 1.98 -0.65 0.98 0.00 0.00 173.24 173.24 1wrs h PRO 6 N -1.32 0.46 -7.17 4.02 0.10 -2.02 -3.43 132.00 122.63 1wrs h PRO 6 Ca -0.48 -0.03 -0.40 0.00 0.10 0.00 0.00 66.00 65.19 1wrs h PRO 6 Cb 1.27 -0.10 0.21 0.00 0.10 0.00 0.00 31.00 32.48 1wrs h PRO 6 CO 0.56 0.30 -0.02 -0.47 0.10 0.00 0.00 178.00 178.48 1wrs s TYR 7 N -5.44 -0.07 -1.27 0.65 5.04 -1.26 -3.48 117.35 111.51 1wrs s TYR 7 Ca -0.08 0.59 -0.12 0.00 -2.44 0.00 0.00 57.07 55.03 1wrs s TYR 7 Cb 0.19 -3.11 0.10 0.00 0.35 0.00 0.00 41.96 39.49 1wrs s TYR 7 CO 0.75 -4.51 0.48 0.45 -1.34 0.00 0.00 175.55 171.38 1wrs n SER 8 N -5.27 -3.05 -1.19 4.32 2.88 -1.26 -4.51 113.62 105.54 1wrs n SER 8 Ca 0.12 -0.49 0.16 0.00 -1.33 0.00 0.00 58.87 57.33 1wrs n SER 8 Cb 0.59 -2.55 -0.04 0.00 -0.75 0.00 0.00 64.21 61.46 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs n ALA 9 N -3.57 -3.07 0.00 -1.46 0.00 -1.23 -4.99 120.51 106.19 1wrs n ALA 9 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1wrs n ALA 9 Cb 0.52 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.07 0.00 0.02 0.00 0.00 -1.26 -4.69 120.51 112.51 1wrs n ALA 10 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wrs n ALA 10 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.53 0.00 -0.57 0.00 2.81 -1.26 -4.98 117.12 112.58 1wrs n MET 11 Ca 0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1wrs n MET 11 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -2.57 2.08 -2.75 3.04 0.00 -1.26 -5.08 120.51 113.97 1wrs n ALA 12 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1wrs n ALA 12 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 0.03 -3.38 -2.58 0.00 2.13 -1.26 -4.91 120.64 110.66 1wrs n GLU 13 Ca -0.01 2.71 -0.39 0.00 0.66 0.00 0.00 57.16 60.13 1wrs n GLU 13 Cb 0.65 -4.71 -0.05 0.00 0.27 0.00 0.00 31.44 27.60 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 -1.28 4.63 0.41 5.31 -2.07 -1.26 -5.04 119.66 120.37 1wrs s GLN 14 Ca -0.07 1.64 0.01 0.00 -1.82 0.00 0.00 55.36 55.13 1wrs s GLN 14 Cb 0.00 -3.10 -0.01 0.00 -1.09 0.00 0.00 33.01 28.81 1wrs s GLN 14 CO 0.68 0.26 0.62 1.03 -1.32 0.00 0.00 175.29 176.56 1wrs s ARG 15 N -1.55 3.15 0.00 9.60 0.52 -1.26 -5.00 118.95 124.41 1wrs s ARG 15 Ca 0.46 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 1wrs s ARG 15 Cb -0.28 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1wrs s ARG 15 CO 0.35 -0.14 0.00 1.58 0.02 0.00 0.00 175.30 177.11 1wrs n HIS 16 N -1.96 0.00 0.00 -0.53 -0.00 -1.26 -4.85 115.22 106.62 1wrs n HIS 16 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1wrs n HIS 16 Cb 0.57 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 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 -0.15 1.57 6.02 -1.26 -3.64 117.38 119.92 1wrs n GLN 17 Ca 0.00 0.01 0.29 0.00 -0.01 0.00 0.00 57.00 57.29 1wrs n GLN 17 Cb 0.17 -0.21 0.70 0.00 1.02 0.00 0.00 30.24 31.91 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 0.00 0.17 -1.09 9.09 -2.01 0.24 114.58 120.97 1wrs h GLU 18 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 1wrs h GLU 18 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 1wrs h GLU 18 CO 0.00 0.00 -0.51 2.35 0.05 0.00 0.00 179.01 180.90 1wrs h TRP 19 N 0.00 -1.47 -1.04 2.06 2.91 -1.89 0.11 115.95 116.62 1wrs h TRP 19 Ca 0.42 0.04 0.29 0.00 1.13 0.00 0.00 58.89 60.77 1wrs h TRP 19 Cb 1.94 0.62 -0.05 0.00 -0.51 0.00 0.00 29.16 31.16 1wrs h TRP 19 CO 0.00 -0.59 0.73 1.25 -1.03 0.00 0.00 178.44 178.80 1wrs h LEU 20 N -0.76 0.12 0.00 0.65 6.46 -0.59 -2.64 115.31 118.54 1wrs h LEU 20 Ca -0.01 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1wrs h LEU 20 Cb 0.75 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 1wrs h LEU 20 CO -0.25 0.03 0.00 0.54 -0.62 0.00 0.00 178.44 178.14 1wrs n ARG 21 N -4.32 0.00 -0.26 1.25 5.12 0.01 0.99 116.66 119.44 1wrs n ARG 21 Ca 0.23 0.22 0.26 0.00 -1.93 0.00 0.00 57.85 56.63 1wrs n ARG 21 Cb 1.04 -1.17 0.48 0.00 -1.16 0.00 0.00 32.46 31.66 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 -1.15 0.95 0.00 -1.55 7.35 -1.08 -0.03 117.46 121.95 1wrs n PHE 22 Ca 0.00 0.95 0.00 0.00 -0.76 0.00 0.00 57.45 57.64 1wrs n PHE 22 Cb 0.00 -1.37 0.00 0.00 0.35 0.00 0.00 39.48 38.46 1wrs n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wrs n VAL 23 N -4.83 0.00 -0.61 -2.13 0.31 -1.02 -1.75 118.33 108.30 1wrs n VAL 23 Ca 0.31 0.63 0.47 0.00 -0.01 0.00 0.00 64.34 65.73 1wrs n VAL 23 Cb 1.06 -1.34 0.72 0.00 -0.91 0.00 0.00 33.84 33.36 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 -1.34 0.00 0.09 4.52 2.03 0.28 0.37 116.55 122.49 1wrs n ASP 24 Ca 0.00 0.88 -0.04 0.00 0.52 0.00 0.00 54.79 56.15 1wrs n ASP 24 Cb 0.00 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 1wrs n ASP 24 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1wrs h LEU 25 N 0.00 -0.20 -0.34 -2.67 5.85 -0.48 -3.08 115.31 114.39 1wrs h LEU 25 Ca 0.82 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.61 1wrs h LEU 25 Cb 3.36 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 44.35 1wrs h LEU 25 CO -0.01 -0.05 -0.40 0.25 -0.34 0.00 0.00 178.44 177.89 1wrs h LEU 26 N -0.44 -1.31 -0.88 2.25 5.85 0.77 0.37 115.31 121.92 1wrs h LEU 26 Ca -0.02 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.01 1wrs h LEU 26 Cb 0.19 0.57 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 1wrs h LEU 26 CO 0.04 -0.37 -0.48 0.50 -0.34 0.00 0.00 178.44 177.79 1wrs h LYS 27 N -0.35 -0.06 0.00 1.25 3.11 -1.19 0.76 116.57 120.10 1wrs h LYS 27 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1wrs h LYS 27 Cb 0.58 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1wrs h LYS 27 CO -0.52 -0.04 0.00 0.09 -2.81 0.00 0.00 179.45 176.17 1wrs n ASN 28 N -5.37 0.00 -0.08 4.20 3.02 -0.90 -3.78 115.26 112.36 1wrs n ASN 28 Ca 0.05 -0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.32 1wrs n ASN 28 Cb 0.33 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.12 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 3.33 0.08 -0.24 5.41 0.00 0.27 -3.33 119.26 124.78 1wrs h ALA 29 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1wrs h ALA 29 Cb 0.25 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1wrs h ALA 29 CO 0.00 0.22 -0.16 -0.92 0.00 0.00 0.00 179.25 178.40 1wrs h TYR 30 N -1.00 -0.50 -0.82 0.00 3.20 -1.40 1.59 116.97 118.05 1wrs h TYR 30 Ca -0.10 0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.04 1wrs h TYR 30 Cb 0.98 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1wrs h TYR 30 CO 0.18 -0.11 0.88 0.37 -1.64 0.00 0.00 178.16 177.85 1wrs h GLN 31 N -0.02 0.00 0.00 1.82 4.15 -1.76 1.24 115.11 120.53 1wrs h GLN 31 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 1wrs h GLN 31 Cb 0.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1wrs h GLN 31 CO -0.23 0.00 -1.53 -1.71 -1.93 0.00 0.00 178.83 173.43 1wrs n ASN 32 N -3.51 0.59 0.00 -0.69 5.15 0.44 -4.98 115.26 112.26 1wrs n ASN 32 Ca 0.17 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1wrs n ASN 32 Cb 1.15 0.70 0.00 0.00 -0.53 0.00 0.00 39.78 41.10 1wrs n ASN 32 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wrs n ASP 33 N -2.69 -1.70 -0.00 1.20 -0.08 0.43 -4.93 116.55 108.78 1wrs n ASP 33 Ca -0.08 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.28 1wrs n ASP 33 Cb 0.74 -0.36 -0.11 0.00 2.34 0.00 0.00 41.12 43.74 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 0.52 0.04 -2.67 7.99 -1.02 -4.46 117.00 117.41 1wrs n LEU 34 Ca 0.00 -0.33 0.21 0.00 -0.01 0.00 0.00 56.01 55.88 1wrs n LEU 34 Cb 0.11 0.00 0.66 0.00 -0.11 0.00 0.00 43.42 44.08 1wrs n LEU 34 CO 0.00 0.13 1.19 1.12 -1.51 0.00 0.00 177.39 178.32 1wrs h HIS 35 N 0.00 0.00 0.06 -1.77 2.07 -1.87 -1.22 115.15 112.42 1wrs h HIS 35 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wrs h HIS 35 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 1wrs h HIS 35 CO 0.00 0.00 -0.03 -0.07 -3.07 0.00 0.00 177.93 174.76 1wrs h LEU 36 N 0.00 -0.07 -2.05 6.12 3.38 -1.94 -0.37 115.31 120.39 1wrs h LEU 36 Ca 0.25 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1wrs h LEU 36 Cb 1.53 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1wrs h LEU 36 CO -0.00 0.20 0.36 1.55 0.09 0.00 0.00 178.44 180.64 1wrs h PRO 37 N -0.59 0.00 0.06 1.13 0.13 -1.81 0.35 132.00 131.28 1wrs h PRO 37 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1wrs h PRO 37 Cb 0.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1wrs h PRO 37 CO 0.01 0.00 -1.40 -0.07 -0.23 0.00 0.00 178.00 176.32 1wrs h LEU 38 N 0.00 0.21 -1.75 1.56 3.38 -1.29 -3.26 115.31 114.16 1wrs h LEU 38 Ca 0.11 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1wrs h LEU 38 Cb 0.84 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1wrs h LEU 38 CO -0.00 1.24 0.36 0.25 0.09 0.00 0.00 178.44 180.37 1wrs h LEU 39 N 0.04 0.26 -0.20 1.67 5.85 0.15 0.47 115.31 123.54 1wrs h LEU 39 Ca -0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1wrs h LEU 39 Cb 1.94 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1wrs h LEU 39 CO 0.14 0.15 0.00 0.59 -0.34 0.00 0.00 178.44 178.99 1wrs n ASN 40 N -4.46 0.30 -0.02 1.25 4.13 -1.09 -3.19 115.26 112.17 1wrs n ASN 40 Ca 0.08 -1.41 -0.03 0.00 1.68 0.00 0.00 54.58 54.90 1wrs n ASN 40 Cb 0.39 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.60 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 -0.62 0.83 -2.06 3.41 4.32 0.16 -4.68 117.00 118.36 1wrs n LEU 41 Ca 0.16 0.13 -0.24 0.00 -0.02 0.00 0.00 56.01 56.04 1wrs n LEU 41 Cb 0.12 -0.49 0.08 0.00 -1.62 0.00 0.00 43.42 41.51 1wrs n LEU 41 CO 0.12 -0.46 1.27 1.15 -1.22 0.00 0.00 177.39 178.26 1wrs n MET 42 N -3.32 2.16 0.00 3.23 0.00 -1.04 -4.82 117.12 113.34 1wrs n MET 42 Ca -0.05 -2.36 0.00 0.00 0.00 0.00 0.00 57.70 55.29 1wrs n MET 42 Cb 0.18 -1.93 0.00 0.00 0.00 0.00 0.00 33.22 31.48 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 -0.38 0.00 0.00 3.17 7.94 -1.19 -4.96 117.00 121.58 1wrs n LEU 43 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1wrs n LEU 43 Cb 0.80 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.75 1wrs n LEU 43 CO 0.55 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.24 1wrs n THR 44 N 0.00 0.00 0.00 1.96 -1.04 -1.26 -3.98 114.28 109.96 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 -0.75 0.00 0.00 -2.82 -0.04 -1.26 -3.16 135.00 126.97 1wrs n PRO 45 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wrs n PRO 45 Cb 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 1wrs n PRO 45 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wrs n ASP 46 N 0.00 0.00 0.00 3.54 9.92 -1.26 -2.78 116.55 125.97 1wrs n ASP 46 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1wrs n ASP 46 Cb 0.00 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1wrs n ASP 46 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1wrs n GLU 47 N -1.24 0.00 -0.08 -1.24 2.13 -1.26 0.13 120.64 119.07 1wrs n GLU 47 Ca 0.00 0.00 0.23 0.00 0.66 0.00 0.00 57.16 58.06 1wrs n GLU 47 Cb 0.07 -0.70 0.47 0.00 0.27 0.00 0.00 31.44 31.55 1wrs n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wrs h ARG 48 N 0.00 0.00 0.00 5.31 2.47 -1.47 -0.53 114.38 120.16 1wrs h ARG 48 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wrs h ARG 48 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1wrs h ARG 48 CO 0.00 0.00 -0.08 0.93 0.56 0.00 0.00 179.97 181.38 1wrs h GLU 49 N 0.00 0.00 0.77 0.04 5.08 -1.55 -3.39 114.58 115.53 1wrs h GLU 49 Ca 0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1wrs h GLU 49 Cb 2.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.65 1wrs h GLU 49 CO -0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 179.01 177.53 1wrs h ALA 50 N -1.82 -1.27 -0.48 3.43 0.00 0.18 -2.92 119.26 116.38 1wrs h ALA 50 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1wrs h ALA 50 Cb 0.08 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1wrs h ALA 50 CO 0.00 -1.22 -0.28 1.28 0.00 0.00 0.00 179.25 179.03 1wrs n LEU 51 N -5.44 -0.51 -0.22 0.00 4.32 -0.28 0.19 117.00 115.06 1wrs n LEU 51 Ca -0.14 1.05 0.02 0.00 -0.02 0.00 0.00 56.01 56.92 1wrs n LEU 51 Cb 0.48 -0.21 0.13 0.00 -1.62 0.00 0.00 43.42 42.20 1wrs n LEU 51 CO 0.33 -0.79 0.87 1.23 -1.22 0.00 0.00 177.39 177.81 1wrs h GLY 52 N 0.00 0.77 0.00 -0.72 0.00 -1.71 -2.40 103.07 99.02 1wrs h GLY 52 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1wrs h GLY 52 CO -0.45 -0.20 0.00 2.41 0.00 0.00 0.00 176.54 178.30 1wrs n THR 53 N -5.24 0.00 -0.28 4.70 -1.04 0.51 -1.68 114.28 111.25 1wrs n THR 53 Ca 0.11 0.94 -0.07 0.00 -2.04 0.00 0.00 64.05 62.98 1wrs n THR 53 Cb 0.39 -1.91 -0.07 0.00 -1.82 0.00 0.00 70.33 66.92 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 -0.46 -0.29 0.06 -2.82 1.74 -0.20 0.26 116.66 114.95 1wrs n ARG 54 Ca 0.00 1.04 0.14 0.00 -0.77 0.00 0.00 57.85 58.26 1wrs n ARG 54 Cb 0.00 -1.53 0.62 0.00 -1.02 0.00 0.00 32.46 30.52 1wrs n ARG 54 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1wrs h VAL 55 N 0.00 0.88 0.18 1.55 2.07 -1.54 0.12 116.25 119.51 1wrs h VAL 55 Ca 0.11 -0.04 -0.31 0.00 0.82 0.00 0.00 66.70 67.28 1wrs h VAL 55 Cb 0.27 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1wrs h VAL 55 CO -0.63 0.02 -1.40 0.03 0.02 0.00 0.00 177.57 175.62 1wrs h ARG 56 N 0.13 0.38 -0.01 1.57 3.08 0.45 -2.83 114.38 117.15 1wrs h ARG 56 Ca 0.17 -0.66 -0.18 0.00 0.07 0.00 0.00 59.98 59.39 1wrs h ARG 56 Cb 0.53 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1wrs h ARG 56 CO -0.02 1.30 -0.82 0.97 -1.07 0.00 0.00 179.97 180.34 1wrs h ILE 57 N 0.10 1.50 0.90 2.04 -0.00 0.37 -2.52 117.51 119.91 1wrs h ILE 57 Ca -0.21 -2.56 -0.04 0.00 -0.00 0.00 0.00 64.86 62.05 1wrs h ILE 57 Cb 2.06 2.41 0.01 0.00 -0.00 0.00 0.00 36.82 41.30 1wrs h ILE 57 CO 0.23 0.74 -0.43 0.58 -0.00 0.00 0.00 178.15 179.27 1wrs h VAL 58 N 0.08 0.00 -0.85 2.19 2.07 -0.85 -0.69 116.25 118.19 1wrs h VAL 58 Ca -0.03 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.57 1wrs h VAL 58 Cb 1.42 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1wrs h VAL 58 CO 0.12 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 177.94 1wrs h GLU 59 N -1.31 0.42 -0.13 1.57 5.08 -1.56 0.24 114.58 118.88 1wrs h GLU 59 Ca -0.12 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1wrs h GLU 59 Cb 0.93 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1wrs h GLU 59 CO 0.20 0.28 -0.20 1.49 -1.00 0.00 0.00 179.01 179.78 1wrs h GLU 60 N 0.43 0.37 -0.01 2.33 4.81 -1.22 -3.10 114.58 118.19 1wrs h GLU 60 Ca 0.43 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1wrs h GLU 60 Cb 1.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1wrs h GLU 60 CO -0.16 0.80 0.00 1.28 -0.73 0.00 0.00 179.01 180.20 1wrs n LEU 61 N -4.50 0.73 0.30 1.64 4.77 -0.29 -2.63 117.00 117.02 1wrs n LEU 61 Ca -0.07 -0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.55 1wrs n LEU 61 Cb 0.41 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1wrs n LEU 61 CO 0.40 0.12 0.46 0.25 -1.33 0.00 0.00 177.39 177.30 1wrs h LEU 62 N 1.13 -0.64 -2.53 2.23 6.46 -0.48 -3.29 115.31 118.19 1wrs h LEU 62 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1wrs h LEU 62 Cb 0.24 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1wrs h LEU 62 CO 0.00 -0.42 0.00 0.54 -0.62 0.00 0.00 178.44 177.94 1wrs n ARG 63 N -4.25 2.48 -0.80 1.25 1.74 -1.26 -4.37 116.66 111.45 1wrs n ARG 63 Ca -0.09 -2.21 -0.11 0.00 -0.77 0.00 0.00 57.85 54.66 1wrs n ARG 63 Cb 0.30 -1.43 0.16 0.00 -1.02 0.00 0.00 32.46 30.48 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wrs n GLY 64 N 1.16 3.45 0.43 -0.13 0.00 -1.08 -4.65 105.19 104.38 1wrs n GLY 64 Ca 0.17 -0.73 0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 -0.00 -2.75 1.61 1.02 -1.26 -3.45 120.64 115.42 1wrs n GLU 65 Ca 0.36 0.69 -0.42 0.00 -0.02 0.00 0.00 57.16 57.77 1wrs n GLU 65 Cb 1.22 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 31.03 1wrs n GLU 65 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wrs s MET 66 N -4.21 3.19 0.00 3.49 -1.94 -1.26 -4.76 119.30 113.81 1wrs s MET 66 Ca -0.03 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1wrs s MET 66 Cb 0.17 -4.32 0.00 0.00 2.01 0.00 0.00 34.83 32.69 1wrs s MET 66 CO 0.56 -1.94 0.00 0.45 -0.01 0.00 0.00 175.02 174.08 1wrs n SER 67 N 8.20 0.00 -0.01 3.03 2.88 -1.22 -5.03 113.62 121.46 1wrs n SER 67 Ca 0.02 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.57 1wrs n SER 67 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 1.15 0.00 -1.46 6.02 -1.26 -4.57 117.38 117.25 1wrs n GLN 68 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1wrs n GLN 68 Cb 0.00 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.89 0.68 -0.49 -1.09 3.00 -1.26 -2.97 116.66 112.64 1wrs n ARG 69 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.88 1wrs n ARG 69 Cb 0.34 -1.21 0.16 0.00 0.00 0.00 0.00 32.46 31.75 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 0.52 1.25 -1.00 -0.14 0.28 -1.26 -5.08 120.64 115.21 1wrs n GLU 70 Ca 0.00 -2.81 -0.35 0.00 -0.16 0.00 0.00 57.16 53.84 1wrs n GLU 70 Cb 0.29 -1.37 0.04 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.02 -5.73 -4.60 -1.84 -0.00 -1.16 -4.63 117.00 98.03 1wrs n LEU 71 Ca 0.16 0.21 -0.57 0.00 -0.00 0.00 0.00 56.01 55.81 1wrs n LEU 71 Cb 0.71 -0.75 -0.07 0.00 -0.00 0.00 0.00 43.42 43.31 1wrs n LEU 71 CO -0.02 -5.82 0.88 2.29 -0.00 0.00 0.00 177.39 174.72 1wrs n LYS 72 N 2.36 0.63 -0.10 1.47 2.85 -1.26 -4.82 118.16 119.29 1wrs n LYS 72 Ca -0.01 0.23 0.06 0.00 -1.05 0.00 0.00 58.31 57.54 1wrs n LYS 72 Cb 0.54 -1.81 0.11 0.00 -0.65 0.00 0.00 35.03 33.22 1wrs n LYS 72 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1wrs n ASN 73 N 2.77 2.45 -0.81 -5.58 5.15 -1.26 -4.95 115.26 113.02 1wrs n ASN 73 Ca 0.22 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.55 1wrs n ASN 73 Cb 0.12 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 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 -0.89 -0.98 0.00 1.20 0.28 -1.26 -4.35 120.64 114.64 1wrs n GLU 74 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1wrs n GLU 74 Cb 0.53 -3.46 0.00 0.00 1.43 0.00 0.00 31.44 29.94 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 -0.81 0.00 -0.09 -1.84 7.94 -1.26 -4.86 117.00 116.08 1wrs n LEU 75 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1wrs n LEU 75 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1wrs n LEU 75 CO 0.00 0.00 -0.43 1.23 -1.11 0.00 0.00 177.39 177.08 1wrs h GLY 76 N 0.00 0.00 0.00 -3.96 0.00 -1.99 -3.50 103.07 93.62 1wrs h GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wrs h GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1wrs n ALA 77 N -3.51 0.00 -3.64 3.60 0.00 -1.26 -5.13 120.51 110.58 1wrs n ALA 77 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 1wrs n ALA 77 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1wrs n ALA 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wrs s GLY 78 N 0.00 0.14 0.42 0.00 0.00 -1.26 -4.80 107.32 101.81 1wrs s GLY 78 Ca 0.00 3.01 0.25 0.00 0.00 0.00 0.00 44.72 47.98 1wrs s GLY 78 CO 0.00 1.49 1.68 1.19 0.00 0.00 0.00 173.10 177.46 1wrs h ILE 79 N 2.64 0.28 -0.12 0.90 6.09 -1.97 0.62 117.51 125.95 1wrs h ILE 79 Ca -0.18 -0.07 -0.02 0.00 -1.37 0.00 0.00 64.86 63.21 1wrs h ILE 79 Cb 1.19 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 1wrs h ILE 79 CO 0.20 0.04 -0.04 0.00 -3.07 0.00 0.00 178.15 175.29 1wrs h ALA 80 N 1.63 1.71 0.00 0.18 0.00 -2.01 -2.97 119.26 117.80 1wrs h ALA 80 Ca 0.73 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.39 1wrs h ALA 80 Cb 2.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1wrs h ALA 80 CO -0.39 0.22 -0.80 1.15 0.00 0.00 0.00 179.25 179.43 1wrs h THR 81 N 0.18 1.09 0.00 0.00 2.02 -0.15 -3.33 112.91 112.72 1wrs h THR 81 Ca 0.04 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1wrs h THR 81 Cb 0.19 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1wrs h THR 81 CO 0.01 0.37 0.00 2.30 0.37 0.00 0.00 175.52 178.57 1wrs n ILE 82 N -4.51 0.00 0.00 3.11 -5.35 -0.86 -2.69 119.36 109.06 1wrs n ILE 82 Ca -0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1wrs n ILE 82 Cb 0.57 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1wrs n ILE 82 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1wrs n THR 83 N -0.62 0.00 0.07 7.28 -2.24 -1.12 -4.10 114.28 113.54 1wrs n THR 83 Ca 0.01 0.03 0.20 0.00 -2.27 0.00 0.00 64.05 62.03 1wrs n THR 83 Cb 0.00 -0.64 0.74 0.00 -2.10 0.00 0.00 70.33 68.34 1wrs n THR 83 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wrs h ARG 84 N 0.00 0.00 -0.66 -0.78 -0.00 -1.74 0.15 114.38 111.36 1wrs h ARG 84 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 60.07 1wrs h ARG 84 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.90 1wrs h ARG 84 CO 0.00 0.00 0.31 0.78 -0.00 0.00 0.00 179.97 181.06 1wrs h GLY 85 N 0.00 0.96 0.03 0.08 0.00 -1.72 0.90 103.07 103.32 1wrs h GLY 85 Ca 0.21 -0.19 -0.34 0.00 0.00 0.00 0.00 47.33 47.01 1wrs h GLY 85 CO -0.00 0.05 -1.85 -1.14 0.00 0.00 0.00 176.54 173.60 1wrs n SER 86 N -4.90 1.91 -0.03 0.19 3.41 -0.08 -4.13 113.62 110.00 1wrs n SER 86 Ca 0.09 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1wrs n SER 86 Cb 0.25 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1wrs n SER 86 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wrs n ASN 87 N -4.29 0.05 -0.38 4.04 5.03 0.33 -4.08 115.26 115.95 1wrs n ASN 87 Ca -0.42 -1.58 0.37 0.00 0.87 0.00 0.00 54.58 53.83 1wrs n ASN 87 Cb 0.79 -0.02 0.62 0.00 -1.02 0.00 0.00 39.78 40.15 1wrs n ASN 87 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1wrs h SER 88 N 0.01 0.00 0.14 6.41 0.02 0.69 -1.11 113.55 119.71 1wrs h SER 88 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1wrs h SER 88 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1wrs h SER 88 CO 0.00 0.00 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.55 1wrs h LEU 89 N 0.00 -0.15 0.00 5.07 3.38 -1.82 -3.10 115.31 118.68 1wrs h LEU 89 Ca 0.64 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1wrs h LEU 89 Cb 3.08 0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.86 1wrs h LEU 89 CO -0.01 -0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.71 1wrs n LYS 90 N -2.51 0.00 -0.12 1.13 4.76 -0.46 -4.22 118.16 116.75 1wrs n LYS 90 Ca -0.02 0.23 -0.03 0.00 -2.87 0.00 0.00 58.31 55.62 1wrs n LYS 90 Cb 0.07 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1wrs n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wrs n ALA 91 N -1.19 -0.18 -1.13 7.82 0.00 -0.96 -4.39 120.51 120.48 1wrs n ALA 91 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 1wrs n ALA 91 Cb 0.00 0.09 0.13 0.00 0.00 0.00 0.00 19.45 19.67 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 -4.43 1.65 0.23 0.00 0.00 -1.17 -4.92 121.76 113.12 1wrs s ALA 92 Ca -0.03 0.11 -0.32 0.00 0.00 0.00 0.00 51.96 51.72 1wrs s ALA 92 Cb 0.03 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 1wrs s ALA 92 CO 0.17 -2.30 1.67 -0.35 0.00 0.00 0.00 175.76 174.95 1wrs n PRO 93 N -3.87 2.68 0.20 0.00 -0.04 -1.26 -4.80 135.00 127.91 1wrs n PRO 93 Ca 0.08 0.96 0.13 0.00 -0.04 0.00 0.00 63.50 64.63 1wrs n PRO 93 Cb 0.54 -2.78 0.28 0.00 -0.04 0.00 0.00 33.50 31.50 1wrs n PRO 93 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wrs h VAL 94 N 3.63 0.00 0.00 0.52 2.07 -1.83 -3.10 116.25 117.54 1wrs h VAL 94 Ca -0.44 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1wrs h VAL 94 Cb 1.21 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1wrs h VAL 94 CO 0.90 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.87 1wrs n GLU 95 N -2.90 0.49 0.09 1.57 1.02 -1.26 -2.56 120.64 117.09 1wrs n GLU 95 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 1wrs n GLU 95 Cb 0.48 -1.18 -0.13 0.00 -0.02 0.00 0.00 31.44 30.58 1wrs n GLU 95 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wrs h LEU 96 N 0.00 0.30 -2.00 -4.62 5.85 -1.94 -3.23 115.31 109.67 1wrs h LEU 96 Ca 0.00 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1wrs h LEU 96 Cb 0.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1wrs h LEU 96 CO 0.00 1.26 -0.10 0.03 -0.34 0.00 0.00 178.44 179.29 1wrs h ARG 97 N 0.05 0.00 0.00 1.25 -0.00 -1.76 0.48 114.38 114.40 1wrs h ARG 97 Ca -0.10 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.36 1wrs h ARG 97 Cb 1.92 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.88 1wrs h ARG 97 CO 0.18 0.10 -0.07 -0.56 0.00 0.00 0.00 179.97 179.62 1wrs h GLN 98 N 0.00 0.00 0.00 0.04 3.07 -1.76 -2.93 115.11 113.53 1wrs h GLN 98 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1wrs h GLN 98 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1wrs h GLN 98 CO 0.01 0.07 -0.36 1.87 0.09 0.00 0.00 178.83 180.51 1wrs n TRP 99 N -3.94 0.00 -0.57 0.06 -0.00 -0.66 -4.64 117.44 107.70 1wrs n TRP 99 Ca -0.03 0.00 0.45 0.00 -0.00 0.00 0.00 57.50 57.93 1wrs n TRP 99 Cb 0.16 -0.18 0.74 0.00 -0.00 0.00 0.00 31.31 32.03 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 -0.36 0.11 -1.21 5.87 -0.00 -1.08 1.00 115.31 119.64 1wrs h LEU 100 Ca 0.00 0.07 0.37 0.00 -0.00 0.00 0.00 57.88 58.32 1wrs h LEU 100 Cb 0.36 0.07 -0.14 0.00 -0.00 0.00 0.00 40.66 40.96 1wrs h LEU 100 CO 0.00 -0.11 0.69 -0.33 -0.00 0.00 0.00 178.44 178.69 1wrs h GLU 101 N 0.02 0.20 0.00 1.13 4.39 -1.71 1.77 114.58 120.39 1wrs h GLU 101 Ca 0.88 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 60.35 1wrs h GLU 101 Cb 3.18 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 31.75 1wrs h GLU 101 CO -0.23 0.13 -1.57 0.39 -1.16 0.00 0.00 179.01 176.57 1wrs n GLU 102 N -4.88 0.63 0.00 2.33 1.02 0.34 -2.70 120.64 117.38 1wrs n GLU 102 Ca 0.34 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 1wrs n GLU 102 Cb 1.18 -1.78 0.34 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.92 0.00 -0.08 2.62 0.31 0.21 -3.24 118.33 115.23 1wrs n VAL 103 Ca -0.13 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1wrs n VAL 103 Cb 0.92 0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 34.61 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 0.33 1.22 0.10 7.52 7.94 0.55 -4.48 117.00 130.17 1wrs n LEU 104 Ca 0.16 0.21 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 1wrs n LEU 104 Cb 0.43 -0.50 -0.00 0.00 0.53 0.00 0.00 43.42 43.88 1wrs n LEU 104 CO 0.19 0.22 0.32 0.17 -1.11 0.00 0.00 177.39 177.18 1wrs h LEU 105 N -0.59 0.00 -1.66 -1.96 8.10 -1.63 -3.14 115.31 114.43 1wrs h LEU 105 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.62 1wrs h LEU 105 Cb 1.25 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1wrs h LEU 105 CO -0.22 0.77 -0.06 0.50 -4.11 0.00 0.00 178.44 175.33 1wrs h LYS 106 N 0.00 0.00 0.00 0.17 3.64 -1.72 -3.51 116.57 115.15 1wrs h LYS 106 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1wrs h LYS 106 Cb 1.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1wrs h LYS 106 CO 0.10 0.06 0.00 0.43 -2.27 0.00 0.00 179.45 177.77