#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwm n VAL 2 N 0.00 0.00 -3.17 3.17 0.24 -1.26 -5.10 118.33 112.21 1lwm n VAL 2 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1lwm n VAL 2 Cb 0.00 -1.47 -0.04 0.00 -1.47 0.00 0.00 33.84 30.85 1lwm n VAL 2 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1lwm s THR 3 N 0.09 -0.52 0.27 3.34 -1.32 -1.26 -5.00 115.64 111.24 1lwm s THR 3 Ca 0.00 -1.11 0.19 0.00 -1.21 0.00 0.00 61.69 59.56 1lwm s THR 3 Cb 0.00 -0.46 0.16 0.00 -1.51 0.00 0.00 72.50 70.69 1lwm s THR 3 CO 0.00 -0.43 1.83 1.55 -2.21 0.00 0.00 174.62 175.35 1lwm h PRO 4 N 6.21 0.00 -6.69 7.08 0.13 -2.06 -3.45 132.00 133.21 1lwm h PRO 4 Ca 0.09 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.69 1lwm h PRO 4 Cb 1.07 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.41 1lwm h PRO 4 CO 0.16 0.32 -0.69 -2.13 -0.23 0.00 0.00 178.00 175.43 1lwm n ARG 5 N -3.68 -0.20 0.00 0.86 0.63 -1.26 -4.81 116.66 108.20 1lwm n ARG 5 Ca -0.01 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1lwm n ARG 5 Cb 0.43 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1lwm n GLU 6 N -1.16 0.00 -0.01 -0.14 4.07 -1.26 -5.01 120.64 117.13 1lwm n GLU 6 Ca 0.06 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.06 1lwm n GLU 6 Cb 0.53 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.88 1lwm n GLU 6 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1lwm h PRO 7 N 0.00 -0.31 -6.47 5.31 0.11 -2.02 -3.43 132.00 125.19 1lwm h PRO 7 Ca 0.00 0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.68 1lwm h PRO 7 Cb 0.00 0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.20 1lwm h PRO 7 CO 0.00 -0.21 -0.25 0.21 -0.21 0.00 0.00 178.00 177.54 1lwm s LYS 8 N -6.05 3.13 0.36 1.05 2.20 -1.26 -5.13 119.74 114.03 1lwm s LYS 8 Ca -0.15 -0.77 0.07 0.00 -0.36 0.00 0.00 55.97 54.76 1lwm s LYS 8 Cb 0.11 -2.72 -0.07 0.00 -1.51 0.00 0.00 37.83 33.64 1lwm s LYS 8 CO 0.67 -0.04 -0.02 0.21 -0.36 0.00 0.00 175.35 175.80 1lwm s LYS 9 N -4.31 1.81 -0.40 4.03 2.20 -1.26 -5.06 119.74 116.75 1lwm s LYS 9 Ca 0.45 -1.98 0.11 0.00 -0.36 0.00 0.00 55.97 54.20 1lwm s LYS 9 Cb -0.10 -1.47 0.38 0.00 -1.51 0.00 0.00 37.83 35.13 1lwm s LYS 9 CO 0.34 0.00 0.85 0.54 -0.36 0.00 0.00 175.35 176.72 1lwm n ARG 10 N -0.82 1.65 -1.11 4.03 5.12 -1.26 -4.88 116.66 119.39 1lwm n ARG 10 Ca -0.05 -3.73 -0.16 0.00 -1.93 0.00 0.00 57.85 51.99 1lwm n ARG 10 Cb 0.65 -1.75 0.16 0.00 -1.16 0.00 0.00 32.46 30.37 1lwm n ARG 10 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1lwm n THR 11 N 0.04 2.87 -3.49 0.55 -2.24 -1.26 -4.84 114.28 105.91 1lwm n THR 11 Ca 0.24 -2.72 -0.41 0.00 -2.27 0.00 0.00 64.05 58.89 1lwm n THR 11 Cb 0.65 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1lwm n THR 11 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1lwm s THR 12 N -3.61 5.20 -0.23 4.28 2.01 -1.26 -4.76 115.64 117.26 1lwm s THR 12 Ca 0.51 -3.64 0.06 0.00 0.31 0.00 0.00 61.69 58.93 1lwm s THR 12 Cb 0.44 -4.16 -0.18 0.00 0.01 0.00 0.00 72.50 68.61 1lwm s THR 12 CO 0.03 -1.14 -0.14 -2.11 -0.69 0.00 0.00 174.62 170.57 1lwm n ARG 13 N 2.52 0.69 -3.29 4.92 -4.01 -1.26 -5.06 116.66 111.17 1lwm n ARG 13 Ca 0.23 0.10 -0.22 0.00 -1.04 0.00 0.00 57.85 56.92 1lwm n ARG 13 Cb 0.38 -1.49 0.02 0.00 -3.04 0.00 0.00 32.46 28.34 1lwm n ARG 13 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1lwm n LYS 14 N -3.07 -1.61 -1.43 2.89 5.02 -1.26 -4.66 118.16 114.03 1lwm n LYS 14 Ca -0.40 1.41 0.19 0.00 -2.02 0.00 0.00 58.31 57.50 1lwm n LYS 14 Cb 1.00 -2.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1lwm n LYS 14 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1lwm n LYS 15 N 0.30 -2.88 -3.11 1.97 4.76 -1.26 -4.82 118.16 113.12 1lwm n LYS 15 Ca -0.03 1.90 -0.32 0.00 -2.87 0.00 0.00 58.31 56.99 1lwm n LYS 15 Cb 0.56 -3.51 -0.05 0.00 -1.84 0.00 0.00 35.03 30.19 1lwm n LYS 15 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1lwm s LYS 16 N -2.19 3.89 -0.38 1.97 1.02 -1.26 -5.05 119.74 117.75 1lwm s LYS 16 Ca 0.00 0.53 -0.04 0.00 0.02 0.00 0.00 55.97 56.48 1lwm s LYS 16 Cb 0.00 -2.46 0.20 0.00 -0.52 0.00 0.00 37.83 35.05 1lwm s LYS 16 CO 0.00 0.13 0.98 0.16 -0.92 0.00 0.00 175.35 175.70 1lwm s ASP 17 N -2.58 -0.61 1.05 2.83 -4.77 -1.26 -5.13 116.67 106.20 1lwm s ASP 17 Ca 0.52 -0.60 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 1lwm s ASP 17 Cb -0.10 0.80 0.06 0.00 -1.09 0.00 0.00 42.92 42.58 1lwm s ASP 17 CO 0.22 -0.04 0.20 -0.81 0.70 0.00 0.00 175.17 175.45 1lwm n PRO 18 N 3.06 -1.49 -1.53 2.11 -0.04 -1.26 -4.84 135.00 131.01 1lwm n PRO 18 Ca 0.11 -0.33 -0.48 0.00 -0.04 0.00 0.00 63.50 62.77 1lwm n PRO 18 Cb 0.62 -0.31 -0.05 0.00 -0.04 0.00 0.00 33.50 33.71 1lwm n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1lwm n ASN 19 N -3.37 2.69 -4.11 3.54 2.04 -1.26 -4.92 115.26 109.87 1lwm n ASN 19 Ca 0.03 0.42 -0.12 0.00 -0.44 0.00 0.00 54.58 54.47 1lwm n ASN 19 Cb 0.11 -1.38 -0.09 0.00 -2.53 0.00 0.00 39.78 35.90 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1lwm s ALA 20 N 7.21 0.86 1.10 -2.53 0.00 -1.26 -4.90 121.76 122.24 1lwm s ALA 20 Ca 1.04 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1lwm s ALA 20 Cb -0.66 1.32 0.18 0.00 0.00 0.00 0.00 23.12 23.96 1lwm s ALA 20 CO 0.45 -0.66 0.31 -2.30 0.00 0.00 0.00 175.76 173.56 1lwm n PRO 21 N -0.31 -2.45 -1.75 0.00 -0.02 -1.26 -4.87 135.00 124.34 1lwm n PRO 21 Ca 0.01 -0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 60.37 1lwm n PRO 21 Cb 0.65 -1.59 0.01 0.00 -0.02 0.00 0.00 33.50 32.55 1lwm n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1lwm n LYS 22 N -2.40 2.31 -1.68 -0.52 4.81 -1.26 -4.85 118.16 114.58 1lwm n LYS 22 Ca 0.05 0.82 -0.49 0.00 -0.87 0.00 0.00 58.31 57.82 1lwm n LYS 22 Cb 0.46 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.87 1lwm n LYS 22 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1lwm n ARG 23 N 0.04 2.03 -0.62 1.64 3.00 -1.26 -4.92 116.66 116.58 1lwm n ARG 23 Ca 0.04 0.74 -0.13 0.00 -0.00 0.00 0.00 57.85 58.50 1lwm n ARG 23 Cb 0.40 -2.60 0.10 0.00 0.00 0.00 0.00 32.46 30.36 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lwm n ALA 24 N 6.75 0.81 -2.51 5.13 0.00 -1.26 -5.00 120.51 124.42 1lwm n ALA 24 Ca 0.24 -0.73 -0.28 0.00 0.00 0.00 0.00 53.44 52.67 1lwm n ALA 24 Cb 0.28 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 1lwm n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1lwm s LEU 25 N 2.93 2.74 0.40 0.00 1.02 -1.26 -5.05 118.68 119.46 1lwm s LEU 25 Ca 0.25 -0.65 0.08 0.00 0.02 0.00 0.00 54.13 53.83 1lwm s LEU 25 Cb -0.03 -1.49 -0.02 0.00 0.02 0.00 0.00 46.19 44.67 1lwm s LEU 25 CO 0.25 0.13 0.40 -0.94 0.02 0.00 0.00 176.35 176.21 1lwm s SER 26 N -2.58 5.23 0.57 2.29 1.04 -1.26 -4.51 113.70 114.49 1lwm s SER 26 Ca 0.22 -0.63 0.29 0.00 0.48 0.00 0.00 55.95 56.31 1lwm s SER 26 Cb -0.09 -0.67 1.48 0.00 0.10 0.00 0.00 66.02 66.84 1lwm s SER 26 CO 0.12 -0.62 1.93 0.00 0.98 0.00 0.00 173.24 175.65 1lwm h ALA 27 N 0.98 2.29 0.01 5.32 0.00 -1.85 0.27 119.26 126.27 1lwm h ALA 27 Ca -0.42 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 1lwm h ALA 27 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1lwm h ALA 27 CO 0.55 -0.73 -0.96 -0.92 0.00 0.00 0.00 179.25 177.19 1lwm h TYR 28 N 0.00 0.64 -0.42 0.00 3.20 -1.93 -2.63 116.97 115.82 1lwm h TYR 28 Ca 0.24 -0.35 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 1lwm h TYR 28 Cb 1.17 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1lwm h TYR 28 CO 0.00 1.17 0.12 1.98 -1.64 0.00 0.00 178.16 179.79 1lwm h MET 29 N 0.24 0.66 0.28 1.82 4.05 -0.85 0.56 114.93 121.69 1lwm h MET 29 Ca -0.08 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1lwm h MET 29 Cb 1.60 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.31 1lwm h MET 29 CO 0.17 0.66 -0.13 0.74 0.23 0.00 0.00 176.91 178.57 1lwm h PHE 30 N 0.54 -0.35 0.00 1.39 0.04 -1.49 -1.03 116.94 116.04 1lwm h PHE 30 Ca 0.13 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1lwm h PHE 30 Cb 0.28 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1lwm h PHE 30 CO 0.01 -0.07 0.00 0.34 -0.60 0.00 0.00 178.31 178.00 1lwm n PHE 31 N -5.15 0.66 0.00 -0.55 -0.00 -0.99 -2.10 117.46 109.33 1lwm n PHE 31 Ca -0.10 0.26 -0.19 0.00 -0.00 0.00 0.00 57.45 57.42 1lwm n PHE 31 Cb 0.24 -0.92 -0.14 0.00 -0.00 0.00 0.00 39.48 38.66 1lwm n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1lwm h ALA 32 N 2.31 -0.00 0.00 3.13 0.00 0.49 -1.22 119.26 123.98 1lwm h ALA 32 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 1lwm h ALA 32 Cb 0.35 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1lwm h ALA 32 CO 0.00 0.38 -0.18 -0.91 0.00 0.00 0.00 179.25 178.54 1lwm h ASN 33 N -0.56 0.00 0.08 0.00 2.35 -1.06 0.37 115.58 116.77 1lwm h ASN 33 Ca -0.15 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.32 1lwm h ASN 33 Cb 1.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.84 1lwm h ASN 33 CO 0.08 0.18 -1.51 -0.33 -1.65 0.00 0.00 177.43 174.20 1lwm h GLU 34 N 0.00 0.18 0.00 0.81 5.08 -1.52 -3.26 114.58 115.87 1lwm h GLU 34 Ca -0.00 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1lwm h GLU 34 Cb 0.76 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1lwm h GLU 34 CO 0.02 1.15 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.95 1lwm h ASN 35 N -0.40 0.00 1.73 1.42 -0.26 -1.24 -2.50 115.58 114.32 1lwm h ASN 35 Ca -0.35 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 1lwm h ASN 35 Cb 1.70 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.96 1lwm h ASN 35 CO -0.01 0.32 -0.03 0.08 -1.06 0.00 0.00 177.43 176.73 1lwm h ARG 36 N 0.00 0.00 0.12 0.81 -0.00 -1.08 -2.42 114.38 111.82 1lwm h ARG 36 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.63 1lwm h ARG 36 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.03 1lwm h ARG 36 CO 0.04 0.03 -1.86 0.22 -0.00 0.00 0.00 179.97 178.40 1lwm h ASP 37 N 0.00 0.40 -0.45 0.08 3.58 -1.56 -1.66 116.42 116.82 1lwm h ASP 37 Ca -0.00 -0.79 -0.06 0.00 0.42 0.00 0.00 57.03 56.60 1lwm h ASP 37 Cb 0.90 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1lwm h ASP 37 CO 0.00 1.69 0.03 0.40 -2.88 0.00 0.00 179.24 178.49 1lwm h ILE 38 N 0.07 1.26 0.06 2.25 2.04 -1.47 -0.34 117.51 121.38 1lwm h ILE 38 Ca -0.37 -0.98 -0.28 0.00 1.00 0.00 0.00 64.86 64.22 1lwm h ILE 38 Cb 2.04 1.02 0.03 0.00 -0.74 0.00 0.00 36.82 39.17 1lwm h ILE 38 CO 0.11 0.34 -1.15 0.58 0.00 0.00 0.00 178.15 178.03 1lwm h VAL 39 N 0.62 1.28 -0.40 1.67 2.07 -1.59 -2.65 116.25 117.25 1lwm h VAL 39 Ca 0.13 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.32 1lwm h VAL 39 Cb 0.45 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1lwm h VAL 39 CO 0.02 0.72 0.27 -0.09 0.02 0.00 0.00 177.57 178.51 1lwm h ARG 40 N 0.34 0.44 -0.03 1.57 2.43 -1.23 0.58 114.38 118.48 1lwm h ARG 40 Ca -0.16 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.78 1lwm h ARG 40 Cb 1.81 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1lwm h ARG 40 CO 0.22 0.29 -0.83 1.03 -1.51 0.00 0.00 179.97 179.17 1lwm h SER 41 N 0.45 0.44 0.76 -3.80 0.87 -1.04 -1.96 113.55 109.28 1lwm h SER 41 Ca 0.16 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1lwm h SER 41 Cb 0.08 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1lwm h SER 41 CO -0.04 1.10 -0.18 -0.62 -0.53 0.00 0.00 176.83 176.56 1lwm n GLU 42 N -3.77 0.08 -2.78 2.24 1.02 -0.34 -4.03 120.64 113.06 1lwm n GLU 42 Ca -0.05 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 1lwm n GLU 42 Cb 0.77 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.70 1lwm n GLU 42 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1lwm n ASN 43 N -1.44 1.61 -0.16 1.62 0.23 0.19 -4.93 115.26 112.38 1lwm n ASN 43 Ca 0.07 -2.88 0.29 0.00 -0.53 0.00 0.00 54.58 51.53 1lwm n ASN 43 Cb 0.33 -0.55 0.68 0.00 -2.08 0.00 0.00 39.78 38.16 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1lwm h PRO 44 N 2.97 0.00 -0.34 -0.53 0.11 -1.50 0.13 132.00 132.84 1lwm h PRO 44 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1lwm h PRO 44 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1lwm h PRO 44 CO 0.53 0.00 0.09 0.22 -0.21 0.00 0.00 178.00 178.63 1lwm h ASP 45 N 0.00 0.51 -1.52 -2.05 1.82 -1.92 -3.45 116.42 109.81 1lwm h ASP 45 Ca 0.43 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1lwm h ASP 45 Cb 2.07 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.94 1lwm h ASP 45 CO -0.00 0.60 0.00 2.30 -1.61 0.00 0.00 179.24 180.53 1lwm n ILE 46 N -4.63 0.00 -3.13 2.25 -5.35 0.44 -5.13 119.36 103.81 1lwm n ILE 46 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1lwm n ILE 46 Cb 0.19 -1.61 0.00 0.00 -1.74 0.00 0.00 39.64 36.48 1lwm n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1lwm n THR 47 N -0.60 0.00 -0.34 7.28 -2.24 -1.26 -5.00 114.28 112.12 1lwm n THR 47 Ca 0.00 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 62.12 1lwm n THR 47 Cb 0.00 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 68.94 1lwm n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1lwm h PHE 48 N 0.86 0.12 -0.84 4.78 3.57 -1.94 -0.21 116.94 123.29 1lwm h PHE 48 Ca 0.00 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.85 1lwm h PHE 48 Cb 0.00 -0.03 -0.14 0.00 2.79 0.00 0.00 35.95 38.56 1lwm h PHE 48 CO 0.00 0.00 0.46 0.41 -2.23 0.00 0.00 178.31 176.96 1lwm n GLY 49 N -1.72 -0.61 0.00 2.40 0.00 -1.26 -1.75 105.19 102.25 1lwm n GLY 49 Ca 0.27 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1lwm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lwm n GLN 50 N -4.76 0.29 0.08 1.61 -0.00 -0.65 -4.75 117.38 109.20 1lwm n GLN 50 Ca 0.31 -0.08 -0.14 0.00 -0.00 0.00 0.00 57.00 57.09 1lwm n GLN 50 Cb 1.06 -0.47 -0.08 0.00 -0.00 0.00 0.00 30.24 30.75 1lwm n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1lwm h VAL 51 N 0.56 1.45 0.00 -0.39 2.07 -0.22 -1.75 116.25 117.96 1lwm h VAL 51 Ca 0.00 -2.70 -0.18 0.00 0.82 0.00 0.00 66.70 64.64 1lwm h VAL 51 Cb 0.28 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1lwm h VAL 51 CO 0.00 0.80 -0.86 1.23 0.02 0.00 0.00 177.57 178.76 1lwm h GLY 52 N 1.42 0.03 1.88 2.17 0.00 -1.69 -1.76 103.07 105.12 1lwm h GLY 52 Ca -0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1lwm h GLY 52 CO 0.18 0.06 -0.76 1.70 0.00 0.00 0.00 176.54 177.72 1lwm h LYS 53 N 0.01 0.00 0.02 4.80 3.64 -1.76 -1.76 116.57 121.53 1lwm h LYS 53 Ca -0.02 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1lwm h LYS 53 Cb 1.51 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1lwm h LYS 53 CO 0.11 0.62 -0.21 0.87 -2.27 0.00 0.00 179.45 178.58 1lwm h LYS 54 N 0.00 0.10 -0.29 1.90 1.57 -1.31 -2.52 116.57 116.02 1lwm h LYS 54 Ca -0.03 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1lwm h LYS 54 Cb 1.53 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1lwm h LYS 54 CO 0.08 0.99 -0.13 1.37 -0.57 0.00 0.00 179.45 181.19 1lwm h LEU 55 N -0.72 0.48 -0.37 2.94 8.10 -1.43 -2.26 115.31 122.05 1lwm h LEU 55 Ca -0.03 -0.13 -0.03 0.00 0.11 0.00 0.00 57.88 57.80 1lwm h LEU 55 Cb 1.08 -0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 41.16 1lwm h LEU 55 CO 0.04 0.65 0.10 1.23 -4.11 0.00 0.00 178.44 176.34 1lwm h GLY 56 N 0.93 0.62 1.63 0.17 0.00 -1.38 -0.65 103.07 104.39 1lwm h GLY 56 Ca 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1lwm h GLY 56 CO 0.03 0.36 0.10 0.83 0.00 0.00 0.00 176.54 177.86 1lwm h GLU 57 N 0.44 0.48 -0.13 4.80 5.08 -1.22 -1.44 114.58 122.59 1lwm h GLU 57 Ca 0.12 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1lwm h GLU 57 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1lwm h GLU 57 CO -0.00 0.43 -0.54 -0.22 -1.00 0.00 0.00 179.01 177.68 1lwm h LYS 58 N 0.47 0.38 -0.21 2.33 3.64 -1.01 -2.64 116.57 119.53 1lwm h LYS 58 Ca 0.11 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1lwm h LYS 58 Cb 0.16 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1lwm h LYS 58 CO -0.01 0.82 -0.03 2.35 -2.27 0.00 0.00 179.45 180.32 1lwm h TRP 59 N 0.30 0.43 -1.00 1.91 2.91 -0.18 0.37 115.95 120.69 1lwm h TRP 59 Ca 0.01 -0.09 0.05 0.00 1.13 0.00 0.00 58.89 59.99 1lwm h TRP 59 Cb 1.04 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.52 1lwm h TRP 59 CO 0.03 0.61 0.65 1.57 -1.03 0.00 0.00 178.44 180.27 1lwm h LYS 60 N 0.13 1.19 -0.00 2.65 2.10 -1.26 0.11 116.57 121.49 1lwm h LYS 60 Ca 0.06 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1lwm h LYS 60 Cb 0.46 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1lwm h LYS 60 CO 0.02 0.79 -0.18 0.00 -2.00 0.00 0.00 179.45 178.08 1lwm n ALA 61 N -2.37 2.84 -1.77 0.07 0.00 -1.00 -4.88 120.51 113.40 1lwm n ALA 61 Ca 0.14 -0.25 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 1lwm n ALA 61 Cb 0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1lwm n ALA 61 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1lwm s LEU 62 N -2.73 3.95 0.27 0.00 0.05 0.13 -5.02 118.68 115.32 1lwm s LEU 62 Ca 0.21 2.23 -0.18 0.00 0.05 0.00 0.00 54.13 56.44 1lwm s LEU 62 Cb 0.19 -4.34 -0.09 0.00 -2.05 0.00 0.00 46.19 39.90 1lwm s LEU 62 CO 0.54 -0.96 0.75 0.28 -0.55 0.00 0.00 176.35 176.41 1lwm s THR 63 N -1.63 4.59 0.36 5.48 -1.32 -1.26 -4.95 115.64 116.91 1lwm s THR 63 Ca 0.66 1.19 0.35 0.00 -1.21 0.00 0.00 61.69 62.68 1lwm s THR 63 Cb -0.26 -3.76 0.35 0.00 -1.51 0.00 0.00 72.50 67.31 1lwm s THR 63 CO 0.31 0.04 2.07 1.55 -2.21 0.00 0.00 174.62 176.38 1lwm h PRO 64 N 2.92 0.00 -0.79 7.08 0.13 -1.95 -1.83 132.00 137.56 1lwm h PRO 64 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1lwm h PRO 64 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1lwm h PRO 64 CO 0.65 0.00 0.52 0.93 -0.23 0.00 0.00 178.00 179.87 1lwm h GLU 65 N 0.00 1.05 0.00 0.86 5.08 -2.00 0.25 114.58 119.82 1lwm h GLU 65 Ca 0.00 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 1lwm h GLU 65 Cb 0.08 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1lwm h GLU 65 CO 0.00 0.70 -1.84 0.39 -1.00 0.00 0.00 179.01 177.25 1lwm n GLU 66 N -4.41 0.65 0.08 2.33 -0.58 -0.73 -4.03 120.64 113.95 1lwm n GLU 66 Ca 0.09 0.07 0.13 0.00 -0.42 0.00 0.00 57.16 57.03 1lwm n GLU 66 Cb 0.03 -1.66 0.46 0.00 -0.57 0.00 0.00 31.44 29.69 1lwm n GLU 66 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1lwm n LYS 67 N -2.73 0.19 -0.35 3.49 4.81 -0.97 -4.02 118.16 118.57 1lwm n LYS 67 Ca -0.16 0.21 -0.04 0.00 -0.87 0.00 0.00 58.31 57.45 1lwm n LYS 67 Cb 0.90 -1.74 -0.01 0.00 0.02 0.00 0.00 35.03 34.20 1lwm n LYS 67 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1lwm n GLN 68 N -2.08 -0.27 -0.02 1.64 6.02 0.87 0.40 117.38 123.94 1lwm n GLN 68 Ca 0.05 1.36 -0.04 0.00 -0.01 0.00 0.00 57.00 58.36 1lwm n GLN 68 Cb 0.37 -2.01 0.19 0.00 1.02 0.00 0.00 30.24 29.81 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1lwm h PRO 69 N 0.00 0.58 0.00 -1.09 0.13 -1.87 -1.96 132.00 127.79 1lwm h PRO 69 Ca 0.25 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1lwm h PRO 69 Cb 0.47 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1lwm h PRO 69 CO -0.87 0.73 0.00 0.66 -0.23 0.00 0.00 178.00 178.29 1lwm n TYR 70 N -4.15 0.00 -0.25 1.56 4.01 0.16 -1.26 117.16 117.23 1lwm n TYR 70 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1lwm n TYR 70 Cb 0.37 -0.35 0.16 0.00 -0.31 0.00 0.00 39.34 39.22 1lwm n TYR 70 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1lwm h GLU 71 N 0.00 0.13 -0.77 -0.72 4.57 -0.99 0.41 114.58 117.21 1lwm h GLU 71 Ca 0.00 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1lwm h GLU 71 Cb 0.00 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1lwm h GLU 71 CO 0.00 0.08 0.50 0.00 -1.18 0.00 0.00 179.01 178.42 1lwm h ALA 72 N 1.67 1.64 0.00 2.92 0.00 -1.44 0.27 119.26 124.32 1lwm h ALA 72 Ca 0.41 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 1lwm h ALA 72 Cb 0.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1lwm h ALA 72 CO -0.62 0.25 -0.51 -0.22 0.00 0.00 0.00 179.25 178.15 1lwm h LYS 73 N 0.84 0.00 0.00 0.00 1.63 0.11 -2.21 116.57 116.94 1lwm h LYS 73 Ca 0.33 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.04 1lwm h LYS 73 Cb 0.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1lwm h LYS 73 CO -0.11 0.51 -0.39 0.00 -3.45 0.00 0.00 179.45 176.00 1lwm h ALA 74 N 1.49 0.90 0.10 5.00 0.00 0.72 -1.04 119.26 126.44 1lwm h ALA 74 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 1lwm h ALA 74 Cb 0.93 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1lwm h ALA 74 CO 0.07 0.49 -1.17 1.96 0.00 0.00 0.00 179.25 180.59 1lwm h GLN 75 N 0.00 0.35 -0.03 0.00 1.08 -0.85 0.17 115.11 115.84 1lwm h GLN 75 Ca -0.00 -0.51 -0.18 0.00 -1.45 0.00 0.00 58.65 56.50 1lwm h GLN 75 Cb 1.02 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1lwm h GLN 75 CO 0.05 1.21 -0.79 0.00 -0.95 0.00 0.00 178.83 178.36 1lwm h ALA 76 N 0.58 0.61 0.00 3.87 0.00 -1.32 -2.05 119.26 120.96 1lwm h ALA 76 Ca -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 1lwm h ALA 76 Cb 1.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1lwm h ALA 76 CO 0.20 0.84 -0.87 0.22 0.00 0.00 0.00 179.25 179.64 1lwm h ASP 77 N 0.15 0.00 0.77 0.00 1.82 -1.23 -2.55 116.42 115.38 1lwm h ASP 77 Ca -0.03 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.48 1lwm h ASP 77 Cb 1.37 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.37 1lwm h ASP 77 CO 0.12 0.56 -0.62 0.50 -1.61 0.00 0.00 179.24 178.20 1lwm h LYS 78 N 0.00 0.00 0.00 0.28 3.64 -0.58 -2.20 116.57 117.71 1lwm h LYS 78 Ca -0.06 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 1lwm h LYS 78 Cb 1.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1lwm h LYS 78 CO 0.06 0.62 -1.10 0.87 -2.27 0.00 0.00 179.45 177.63 1lwm h LYS 79 N 0.00 0.00 -0.11 1.90 6.56 -1.40 -2.07 116.57 121.45 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.38 1lwm h LYS 79 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1lwm h LYS 79 CO 0.08 0.47 -0.76 0.00 -2.06 0.00 0.00 179.45 177.18 1lwm h ARG 80 N 0.00 0.56 0.09 3.15 3.08 -1.35 0.14 114.38 120.05 1lwm h ARG 80 Ca -0.11 -0.46 -0.29 0.00 0.07 0.00 0.00 59.98 59.19 1lwm h ARG 80 Cb 1.59 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1lwm h ARG 80 CO 0.07 1.09 -1.48 -0.92 -1.07 0.00 0.00 179.97 177.65 1lwm h TYR 81 N 0.38 0.36 0.00 3.04 3.20 -1.50 -2.97 116.97 119.47 1lwm h TYR 81 Ca -0.04 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 1lwm h TYR 81 Cb 1.35 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1lwm h TYR 81 CO 0.06 1.30 -0.21 1.05 -1.64 0.00 0.00 178.16 178.72 1lwm h GLU 82 N 0.05 0.00 0.04 1.82 -0.00 -1.42 -2.33 114.58 112.74 1lwm h GLU 82 Ca -0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.07 1lwm h GLU 82 Cb 1.98 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.74 1lwm h GLU 82 CO 0.15 0.21 -0.30 1.03 -0.00 0.00 0.00 179.01 180.11 1lwm h SER 83 N 0.00 0.20 -0.53 3.06 0.87 -0.81 -1.76 113.55 114.58 1lwm h SER 83 Ca -0.00 -0.91 -0.12 0.00 -1.23 0.00 0.00 61.79 59.53 1lwm h SER 83 Cb 1.14 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1lwm h SER 83 CO 0.03 1.09 -0.14 -0.08 -0.53 0.00 0.00 176.83 177.20 1lwm h GLU 84 N -0.66 1.04 -0.44 2.24 4.22 -1.60 -2.21 114.58 117.15 1lwm h GLU 84 Ca -0.05 -0.40 -0.14 0.00 0.08 0.00 0.00 59.36 58.85 1lwm h GLU 84 Cb 1.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1lwm h GLU 84 CO 0.06 1.09 -0.26 -0.22 -2.18 0.00 0.00 179.01 177.50 1lwm h LYS 85 N 0.91 0.95 -0.63 1.92 3.64 -1.53 -2.20 116.57 119.63 1lwm h LYS 85 Ca 0.13 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1lwm h LYS 85 Cb 0.72 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1lwm h LYS 85 CO 0.06 1.09 0.33 1.49 -2.27 0.00 0.00 179.45 180.14 1lwm h GLU 86 N 0.81 0.89 -0.66 1.90 4.81 -1.20 -2.36 114.58 118.77 1lwm h GLU 86 Ca 0.10 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1lwm h GLU 86 Cb 0.83 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1lwm h GLU 86 CO 0.07 0.69 0.08 -0.07 -0.73 0.00 0.00 179.01 179.05 1lwm h LEU 87 N 0.86 1.07 -0.15 1.64 3.38 -1.32 -1.25 115.31 119.55 1lwm h LEU 87 Ca 0.22 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1lwm h LEU 87 Cb 0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1lwm h LEU 87 CO -0.03 1.07 -0.05 0.22 0.09 0.00 0.00 178.44 179.75 1lwm h TYR 88 N 1.03 -0.10 0.00 1.13 5.03 -1.05 0.17 116.97 123.18 1lwm h TYR 88 Ca 0.20 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 1lwm h TYR 88 Cb 0.48 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1lwm h TYR 88 CO 0.04 -0.08 -0.33 -2.95 -1.32 0.00 0.00 178.16 173.52 1lwm h ASN 89 N -0.02 0.00 1.67 -2.11 -1.07 -1.33 0.22 115.58 112.94 1lwm h ASN 89 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.44 1lwm h ASN 89 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 1lwm h ASN 89 CO -0.16 0.33 0.00 0.00 0.07 0.00 0.00 177.43 177.67 1lwm h ALA 90 N 1.67 1.00 0.00 4.14 0.00 -0.27 -1.48 119.26 124.32 1lwm h ALA 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lwm h ALA 90 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1lwm h ALA 90 CO 0.04 0.00 -0.99 -2.37 0.00 0.00 0.00 179.25 175.93 1lwm n THR 91 N -2.64 0.00 -0.05 0.00 5.66 0.51 -4.48 114.28 113.28 1lwm n THR 91 Ca 0.05 -0.24 0.01 0.00 -3.05 0.00 0.00 64.05 60.82 1lwm n THR 91 Cb 0.47 0.69 -0.16 0.00 -1.55 0.00 0.00 70.33 69.78 1lwm n THR 91 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1lwm n LEU 92 N -1.56 0.05 0.00 1.09 7.94 0.73 -5.07 117.00 120.19 1lwm n LEU 92 Ca 0.01 0.02 0.02 0.00 -1.11 0.00 0.00 56.01 54.95 1lwm n LEU 92 Cb 0.26 0.22 0.11 0.00 0.53 0.00 0.00 43.42 44.53 1lwm n LEU 92 CO 0.27 0.22 0.35 0.00 -1.11 0.00 0.00 177.39 177.11