#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 -3.65 2.03 0.31 -1.26 -5.03 118.33 110.73 1lwm n VAL 2 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1lwm n VAL 2 Cb 0.00 -0.12 -0.09 0.00 -0.91 0.00 0.00 33.84 32.72 1lwm n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1lwm s THR 3 N -0.56 4.00 0.45 2.52 2.01 -1.26 -5.08 115.64 117.71 1lwm s THR 3 Ca 0.00 -2.61 -0.23 0.00 0.31 0.00 0.00 61.69 59.16 1lwm s THR 3 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1lwm s THR 3 CO 0.00 -0.86 1.17 -2.16 -0.69 0.00 0.00 174.62 172.08 1lwm s PRO 4 N 0.32 3.81 -0.34 4.92 0.04 -1.26 -4.41 135.00 138.08 1lwm s PRO 4 Ca 0.14 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 1lwm s PRO 4 Cb -0.20 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.88 1lwm s PRO 4 CO -0.04 -0.52 0.16 -2.13 0.04 0.00 0.00 177.00 174.52 1lwm n ARG 5 N -0.38 -3.23 -3.15 4.56 0.63 -1.26 -5.07 116.66 108.77 1lwm n ARG 5 Ca 0.07 2.63 0.05 0.00 -0.92 0.00 0.00 57.85 59.68 1lwm n ARG 5 Cb 0.48 -5.48 -0.02 0.00 0.45 0.00 0.00 32.46 27.89 1lwm n ARG 5 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1lwm s GLU 6 N -1.90 0.14 0.05 -0.14 2.56 -1.26 -5.06 118.70 113.09 1lwm s GLU 6 Ca 0.07 0.24 -0.20 0.00 0.00 0.00 0.00 54.97 55.08 1lwm s GLU 6 Cb -0.02 0.13 -0.14 0.00 2.00 0.00 0.00 34.13 36.11 1lwm s GLU 6 CO 0.78 -0.17 1.36 -1.00 -0.56 0.00 0.00 175.26 175.67 1lwm h PRO 7 N 7.92 0.38 -6.69 4.30 0.13 -1.97 -3.44 132.00 132.64 1lwm h PRO 7 Ca -0.12 -0.20 -0.51 0.00 -0.87 0.00 0.00 66.00 64.30 1lwm h PRO 7 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1lwm h PRO 7 CO -0.13 0.75 0.47 0.21 -0.23 0.00 0.00 178.00 179.06 1lwm s LYS 8 N -4.35 4.62 -0.07 0.86 2.20 -1.26 -5.05 119.74 116.70 1lwm s LYS 8 Ca -0.14 1.71 0.03 0.00 -0.36 0.00 0.00 55.97 57.22 1lwm s LYS 8 Cb 0.06 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1lwm s LYS 8 CO 0.76 0.13 -0.18 0.15 -0.36 0.00 0.00 175.35 175.86 1lwm s LYS 9 N -0.63 2.20 0.00 4.03 -0.14 -1.26 -5.10 119.74 118.85 1lwm s LYS 9 Ca 0.48 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.46 1lwm s LYS 9 Cb -0.30 -1.76 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1lwm s LYS 9 CO 0.36 0.13 0.00 -2.13 -0.76 0.00 0.00 175.35 172.95 1lwm n ARG 10 N 3.56 0.00 -1.89 1.68 0.63 -1.26 -5.04 116.66 114.33 1lwm n ARG 10 Ca -0.20 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.41 1lwm n ARG 10 Cb 0.52 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.47 1lwm n ARG 10 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1lwm n THR 11 N 0.00 3.04 -3.73 5.15 5.66 -1.26 -4.95 114.28 118.19 1lwm n THR 11 Ca 0.00 -4.01 -0.38 0.00 -3.05 0.00 0.00 64.05 56.61 1lwm n THR 11 Cb 0.00 -1.19 -0.12 0.00 -1.55 0.00 0.00 70.33 67.47 1lwm n THR 11 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1lwm s THR 12 N -4.96 3.80 -0.79 1.09 2.01 -1.26 -5.04 115.64 110.49 1lwm s THR 12 Ca 0.55 -1.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 1lwm s THR 12 Cb 0.44 -3.22 0.21 0.00 0.01 0.00 0.00 72.50 69.95 1lwm s THR 12 CO -0.12 -0.27 0.72 0.00 -0.69 0.00 0.00 174.62 174.26 1lwm s ARG 13 N 1.38 3.46 -0.10 4.92 1.70 -1.26 -4.78 118.95 124.28 1lwm s ARG 13 Ca -0.00 -2.42 -0.04 0.00 -0.47 0.00 0.00 55.73 52.80 1lwm s ARG 13 Cb -0.20 -4.35 0.02 0.00 -0.57 0.00 0.00 34.95 29.84 1lwm s ARG 13 CO 0.02 -1.28 0.08 1.17 -1.08 0.00 0.00 175.30 174.21 1lwm n LYS 14 N 4.02 -1.94 -2.69 3.89 3.00 -1.26 -5.06 118.16 118.11 1lwm n LYS 14 Ca 0.11 1.76 -0.06 0.00 -0.00 0.00 0.00 58.31 60.12 1lwm n LYS 14 Cb 0.46 -2.90 0.08 0.00 0.00 0.00 0.00 35.03 32.67 1lwm n LYS 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1lwm n LYS 15 N 0.63 0.74 0.00 1.64 3.00 -1.26 -5.04 118.16 117.87 1lwm n LYS 15 Ca -0.13 -1.42 0.00 0.00 -0.00 0.00 0.00 58.31 56.75 1lwm n LYS 15 Cb 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 34.87 1lwm n LYS 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1lwm n LYS 16 N -0.06 0.00 -3.49 1.64 5.02 -1.26 -5.02 118.16 114.98 1lwm n LYS 16 Ca -0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1lwm n LYS 16 Cb 0.75 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.78 1lwm n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1lwm n ASP 17 N 0.00 -6.07 -2.74 4.39 8.00 -1.26 -4.99 116.55 113.89 1lwm n ASP 17 Ca 0.00 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1lwm n ASP 17 Cb 0.00 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 1lwm n ASP 17 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1lwm n PRO 18 N -3.12 -0.60 -3.10 -0.24 -0.04 -1.26 -4.60 135.00 122.03 1lwm n PRO 18 Ca -0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 1lwm n PRO 18 Cb 0.59 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.08 1lwm n PRO 18 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lwm n ASN 19 N -2.35 -4.51 -3.88 3.54 5.03 -1.26 -4.98 115.26 106.85 1lwm n ASN 19 Ca 0.00 -0.16 -0.11 0.00 0.87 0.00 0.00 54.58 55.18 1lwm n ASN 19 Cb 0.00 -1.32 -0.10 0.00 -1.02 0.00 0.00 39.78 37.35 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lwm s ALA 20 N -1.24 -0.28 -0.10 5.41 0.00 -1.26 -4.63 121.76 119.66 1lwm s ALA 20 Ca 0.31 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1lwm s ALA 20 Cb -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1lwm s ALA 20 CO 0.73 -0.22 1.55 -1.25 0.00 0.00 0.00 175.76 176.57 1lwm s PRO 21 N -1.52 4.15 0.01 0.00 0.04 -1.26 -4.59 135.00 131.84 1lwm s PRO 21 Ca -0.14 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.14 1lwm s PRO 21 Cb -0.07 -3.93 0.54 0.00 0.04 0.00 0.00 34.50 31.08 1lwm s PRO 21 CO 0.01 -0.86 1.44 1.17 0.04 0.00 0.00 177.00 178.80 1lwm n LYS 22 N 7.05 0.04 -2.20 4.56 4.81 -1.26 -5.03 118.16 126.13 1lwm n LYS 22 Ca 0.17 0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.58 1lwm n LYS 22 Cb 0.44 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 1lwm n LYS 22 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1lwm n ARG 23 N -1.58 -2.94 -0.73 1.64 1.74 -1.26 -5.06 116.66 108.48 1lwm n ARG 23 Ca 0.05 2.39 -0.06 0.00 -0.77 0.00 0.00 57.85 59.46 1lwm n ARG 23 Cb 0.35 -3.61 0.04 0.00 -1.02 0.00 0.00 32.46 28.21 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lwm n ALA 24 N 1.07 -0.17 -2.38 7.54 0.00 -1.26 -5.05 120.51 120.27 1lwm n ALA 24 Ca -0.27 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.62 1lwm n ALA 24 Cb 0.41 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 1.08 0.43 0.00 1.43 -1.26 -5.06 118.68 115.30 1lwm s LEU 25 Ca 0.16 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 51.98 1lwm s LEU 25 Cb -0.01 0.64 0.00 0.00 0.03 0.00 0.00 46.19 46.86 1lwm s LEU 25 CO 0.11 -0.92 0.48 -0.44 0.23 0.00 0.00 176.35 175.81 1lwm s SER 26 N -3.16 5.27 0.60 2.29 0.01 -1.26 -4.60 113.70 112.84 1lwm s SER 26 Ca 0.36 -0.65 0.29 0.00 1.31 0.00 0.00 55.95 57.26 1lwm s SER 26 Cb 0.05 -0.51 1.47 0.00 0.21 0.00 0.00 66.02 67.25 1lwm s SER 26 CO 0.13 -0.76 1.88 0.00 0.41 0.00 0.00 173.24 174.91 1lwm h ALA 27 N 0.82 2.06 0.08 1.44 0.00 -1.86 0.28 119.26 122.07 1lwm h ALA 27 Ca -0.40 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 1lwm h ALA 27 Cb 1.27 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1lwm h ALA 27 CO 0.52 -0.68 -1.12 -0.92 0.00 0.00 0.00 179.25 177.05 1lwm h TYR 28 N 0.00 0.64 -0.21 0.00 3.20 -1.93 -2.65 116.97 116.02 1lwm h TYR 28 Ca 0.18 -0.41 -0.10 0.00 3.14 0.00 0.00 58.73 61.55 1lwm h TYR 28 Cb 1.14 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1lwm h TYR 28 CO 0.00 1.26 -0.28 1.98 -1.64 0.00 0.00 178.16 179.48 1lwm h MET 29 N 0.17 0.41 0.13 1.82 4.05 -0.82 0.28 114.93 120.98 1lwm h MET 29 Ca -0.12 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.13 1lwm h MET 29 Cb 1.80 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.58 1lwm h MET 29 CO 0.19 0.66 -0.06 0.74 0.23 0.00 0.00 176.91 178.67 1lwm h PHE 30 N 0.36 -0.16 0.00 1.39 0.04 -1.48 0.53 116.94 117.63 1lwm h PHE 30 Ca 0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1lwm h PHE 30 Cb 0.69 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1lwm h PHE 30 CO 0.02 0.31 0.00 0.35 -0.60 0.00 0.00 178.31 178.39 1lwm h PHE 31 N -0.84 0.00 0.02 -0.55 3.04 -1.48 -1.94 116.94 115.19 1lwm h PHE 31 Ca -0.02 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.55 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.01 1lwm h PHE 31 CO 0.10 0.00 -1.68 0.00 -2.02 0.00 0.00 178.31 174.71 1lwm h ALA 32 N 2.03 0.68 0.00 2.41 0.00 -0.44 -2.30 119.26 121.64 1lwm h ALA 32 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 54.91 53.42 1lwm h ALA 32 Cb 0.40 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1lwm h ALA 32 CO 0.00 1.51 -0.46 -0.91 0.00 0.00 0.00 179.25 179.38 1lwm h ASN 33 N 0.01 0.00 0.04 0.00 -0.26 -0.53 -1.41 115.58 113.43 1lwm h ASN 33 Ca -0.28 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.15 1lwm h ASN 33 Cb 2.00 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 39.22 1lwm h ASN 33 CO 0.09 0.46 -1.73 -0.62 -1.06 0.00 0.00 177.43 174.57 1lwm n GLU 34 N -3.31 0.63 0.14 0.81 4.71 -0.76 -3.87 120.64 119.00 1lwm n GLU 34 Ca 0.01 0.41 -0.00 0.00 -0.01 0.00 0.00 57.16 57.57 1lwm n GLU 34 Cb 0.67 -1.69 0.25 0.00 -1.01 0.00 0.00 31.44 29.66 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1lwm h ASN 35 N -0.62 0.09 0.74 1.62 2.35 -1.53 -2.27 115.58 115.97 1lwm h ASN 35 Ca -0.44 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.25 1lwm h ASN 35 Cb 1.60 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.94 1lwm h ASN 35 CO -0.15 0.55 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.00 1lwm h ARG 36 N 0.07 0.00 0.03 0.81 1.12 -1.43 -2.26 114.38 112.71 1lwm h ARG 36 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.58 1lwm h ARG 36 Cb 0.87 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.79 1lwm h ARG 36 CO 0.07 0.10 -1.60 0.22 -3.11 0.00 0.00 179.97 175.64 1lwm h ASP 37 N 0.00 0.09 -0.58 -3.80 3.58 -1.55 -2.08 116.42 112.08 1lwm h ASP 37 Ca -0.00 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 1lwm h ASP 37 Cb 0.50 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1lwm h ASP 37 CO 0.01 1.14 -0.01 0.40 -2.88 0.00 0.00 179.24 177.89 1lwm h ILE 38 N 0.01 1.27 0.22 2.25 2.04 -1.05 0.21 117.51 122.46 1lwm h ILE 38 Ca -0.25 -1.16 -0.30 0.00 1.00 0.00 0.00 64.86 64.15 1lwm h ILE 38 Cb 1.98 0.86 0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1lwm h ILE 38 CO 0.10 0.42 -1.31 0.58 0.00 0.00 0.00 178.15 177.93 1lwm h VAL 39 N 0.92 1.33 0.00 1.67 2.07 -1.55 -2.59 116.25 118.10 1lwm h VAL 39 Ca 0.16 -2.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.02 1lwm h VAL 39 Cb 0.57 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1lwm h VAL 39 CO 0.03 0.78 -0.12 0.03 0.02 0.00 0.00 177.57 178.31 1lwm h ARG 40 N 0.05 0.00 0.25 1.57 3.08 -1.34 0.32 114.38 118.30 1lwm h ARG 40 Ca -0.23 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.49 1lwm h ARG 40 Cb 2.03 0.00 0.04 0.00 0.08 0.00 0.00 29.97 32.12 1lwm h ARG 40 CO 0.25 0.12 -1.47 0.77 -1.07 0.00 0.00 179.97 178.57 1lwm h SER 41 N 0.00 0.81 1.15 7.04 0.02 -0.60 -1.30 113.55 120.66 1lwm h SER 41 Ca -0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 1lwm h SER 41 Cb 0.42 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1lwm h SER 41 CO 0.02 1.71 -0.08 -0.62 -1.14 0.00 0.00 176.83 176.71 1lwm n GLU 42 N -3.74 0.13 -2.78 3.45 1.02 -0.98 -4.45 120.64 113.30 1lwm n GLU 42 Ca -0.18 0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 1lwm n GLU 42 Cb 1.09 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 30.88 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 -1.85 -3.30 0.00 1.62 6.94 0.11 -4.99 115.26 113.79 1lwm n ASN 43 Ca 0.06 -2.96 0.04 0.00 -0.02 0.00 0.00 54.58 51.70 1lwm n ASN 43 Cb 0.38 1.70 0.20 0.00 -2.36 0.00 0.00 39.78 39.71 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1lwm n PRO 44 N 2.74 0.08 0.18 -0.53 -0.04 -0.49 -2.46 135.00 134.48 1lwm n PRO 44 Ca 0.17 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.91 1lwm n PRO 44 Cb 0.57 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.94 1lwm n PRO 44 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1lwm h ASP 45 N 0.00 0.07 -3.32 3.54 3.32 -1.93 -3.41 116.42 114.69 1lwm h ASP 45 Ca 0.00 -0.02 -0.66 0.00 0.02 0.00 0.00 57.03 56.38 1lwm h ASP 45 Cb 0.10 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 39.36 1lwm h ASP 45 CO 0.00 0.32 -0.76 0.27 -1.72 0.00 0.00 179.24 177.35 1lwm s ILE 46 N -4.48 3.11 0.00 0.35 -4.36 -1.03 -5.12 121.20 109.67 1lwm s ILE 46 Ca -0.04 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 1lwm s ILE 46 Cb 0.15 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.53 1lwm s ILE 46 CO 0.72 0.51 0.00 0.35 0.24 0.00 0.00 174.94 176.75 1lwm n THR 47 N 3.80 0.00 -0.28 8.37 -2.24 -1.26 -4.65 114.28 118.02 1lwm n THR 47 Ca -0.18 0.00 0.33 0.00 -2.27 0.00 0.00 64.05 61.93 1lwm n THR 47 Cb 0.52 -0.99 0.61 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.01 0.00 -0.84 4.78 3.04 -1.93 -1.24 116.94 120.75 1lwm h PHE 48 Ca 0.00 0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.18 1lwm h PHE 48 Cb 0.00 0.00 -0.16 0.00 2.56 0.00 0.00 35.95 38.35 1lwm h PHE 48 CO 0.00 0.00 0.01 0.41 -2.02 0.00 0.00 178.31 176.71 1lwm n GLY 49 N -1.73 -1.15 0.00 2.40 0.00 -1.26 -1.57 105.19 101.87 1lwm n GLY 49 Ca 0.25 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.10 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 -5.21 3.98 0.11 1.61 0.00 -0.57 -4.58 117.38 112.71 1lwm n GLN 50 Ca 0.20 -0.00 -0.21 0.00 0.00 0.00 0.00 57.00 56.98 1lwm n GLN 50 Cb 0.64 -0.30 -0.13 0.00 0.00 0.00 0.00 30.24 30.45 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 0.01 1.32 0.10 -0.39 2.07 -0.93 -1.15 116.25 117.28 1lwm h VAL 51 Ca 0.00 -2.59 -0.26 0.00 0.82 0.00 0.00 66.70 64.67 1lwm h VAL 51 Cb 0.00 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1lwm h VAL 51 CO 0.00 0.78 -1.17 1.23 0.02 0.00 0.00 177.57 178.43 1lwm h GLY 52 N 0.50 0.28 2.00 2.17 0.00 -1.50 -2.17 103.07 104.35 1lwm h GLY 52 Ca -0.19 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.30 1lwm h GLY 52 CO 0.24 0.61 -0.70 0.50 0.00 0.00 0.00 176.54 177.18 1lwm h LYS 53 N 0.08 0.00 0.02 4.80 1.79 -1.67 -1.62 116.57 119.97 1lwm h LYS 53 Ca -0.11 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.27 1lwm h LYS 53 Cb 1.89 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.55 1lwm h LYS 53 CO 0.19 0.70 -0.36 -0.22 -1.08 0.00 0.00 179.45 178.68 1lwm h LYS 54 N 0.00 0.20 -0.07 3.15 1.63 -1.26 -2.49 116.57 117.72 1lwm h LYS 54 Ca -0.01 -0.25 -0.09 0.00 -0.85 0.00 0.00 60.65 59.46 1lwm h LYS 54 Cb 1.52 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.22 1lwm h LYS 54 CO 0.09 1.01 -0.35 -0.07 -3.45 0.00 0.00 179.45 176.68 1lwm h LEU 55 N -0.51 0.14 -0.40 5.20 3.38 -1.48 -2.30 115.31 119.35 1lwm h LEU 55 Ca -0.05 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1lwm h LEU 55 Cb 1.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1lwm h LEU 55 CO 0.07 0.49 -0.03 1.23 0.09 0.00 0.00 178.44 180.29 1lwm h GLY 56 N 1.11 0.78 1.54 0.83 0.00 -1.33 -0.49 103.07 105.51 1lwm h GLY 56 Ca 0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1lwm h GLY 56 CO 0.05 0.55 -0.00 0.83 0.00 0.00 0.00 176.54 177.96 1lwm h GLU 57 N 0.54 0.58 -0.08 4.80 5.08 -1.24 -1.57 114.58 122.68 1lwm h GLU 57 Ca 0.11 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1lwm h GLU 57 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1lwm h GLU 57 CO 0.03 0.60 -0.55 0.87 -1.00 0.00 0.00 179.01 178.96 1lwm h LYS 58 N 0.55 0.24 -0.17 2.33 1.57 -1.17 -2.68 116.57 117.25 1lwm h LYS 58 Ca 0.12 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1lwm h LYS 58 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1lwm h LYS 58 CO 0.01 0.73 -0.05 2.35 -0.57 0.00 0.00 179.45 181.93 1lwm h TRP 59 N 0.19 0.37 -0.93 -1.35 2.91 -0.41 0.37 115.95 117.09 1lwm h TRP 59 Ca 0.00 -0.08 0.06 0.00 1.13 0.00 0.00 58.89 60.00 1lwm h TRP 59 Cb 1.03 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 29.52 1lwm h TRP 59 CO 0.02 0.60 0.59 1.57 -1.03 0.00 0.00 178.44 180.20 1lwm h LYS 60 N 0.03 1.06 -0.00 2.65 2.10 -1.27 0.16 116.57 121.30 1lwm h LYS 60 Ca 0.04 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1lwm h LYS 60 Cb 0.49 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1lwm h LYS 60 CO 0.02 0.70 -0.15 0.00 -2.00 0.00 0.00 179.45 178.01 1lwm n ALA 61 N -2.36 2.74 -2.27 0.07 0.00 -1.01 -4.84 120.51 112.84 1lwm n ALA 61 Ca 0.14 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1lwm n ALA 61 Cb 0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.90 4.34 0.22 0.00 0.05 0.13 -4.94 118.68 115.58 1lwm s LEU 62 Ca 0.16 2.12 -0.31 0.00 0.05 0.00 0.00 54.13 56.15 1lwm s LEU 62 Cb 0.19 -3.57 -0.15 0.00 -2.05 0.00 0.00 46.19 40.61 1lwm s LEU 62 CO 0.56 -0.64 1.10 1.07 -0.55 0.00 0.00 176.35 177.90 1lwm n THR 63 N 4.32 1.36 0.30 5.48 5.66 -1.26 -4.78 114.28 125.36 1lwm n THR 63 Ca 0.12 -0.34 0.18 0.00 -3.05 0.00 0.00 64.05 60.95 1lwm n THR 63 Cb 0.44 -0.93 0.92 0.00 -1.55 0.00 0.00 70.33 69.21 1lwm n THR 63 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1lwm h PRO 64 N 2.83 0.00 -0.15 1.09 0.11 -1.93 0.02 132.00 133.97 1lwm h PRO 64 Ca -0.41 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 1lwm h PRO 64 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1lwm h PRO 64 CO 0.66 0.00 -0.66 0.93 -0.21 0.00 0.00 178.00 178.72 1lwm h GLU 65 N 0.00 0.58 -0.01 1.05 5.08 -1.99 0.53 114.58 119.82 1lwm h GLU 65 Ca 0.02 -0.42 -0.19 0.00 -1.00 0.00 0.00 59.36 57.77 1lwm h GLU 65 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1lwm h GLU 65 CO -0.00 1.04 -0.84 0.93 -1.00 0.00 0.00 179.01 179.14 1lwm h GLU 66 N 0.42 0.24 0.00 2.33 4.39 -1.34 -3.13 114.58 117.49 1lwm h GLU 66 Ca -0.02 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1lwm h GLU 66 Cb 1.24 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1lwm h GLU 66 CO 0.12 0.95 -0.27 1.57 -1.16 0.00 0.00 179.01 180.23 1lwm h LYS 67 N 0.14 0.00 -0.74 2.33 5.09 -1.44 -3.37 116.57 118.58 1lwm h LYS 67 Ca -0.04 0.00 0.10 0.00 0.09 0.00 0.00 60.65 60.80 1lwm h LYS 67 Cb 1.45 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.68 1lwm h LYS 67 CO 0.13 0.00 -0.34 0.94 -2.09 0.00 0.00 179.45 178.09 1lwm n GLN 68 N -2.73 -0.22 -0.10 0.07 -0.06 0.17 0.36 117.38 114.87 1lwm n GLN 68 Ca 0.03 1.13 -0.06 0.00 -2.00 0.00 0.00 57.00 56.10 1lwm n GLN 68 Cb 0.50 -1.67 0.01 0.00 -4.06 0.00 0.00 30.24 25.03 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1lwm h PRO 69 N 0.00 0.25 0.49 3.69 0.11 -1.80 -2.01 132.00 132.74 1lwm h PRO 69 Ca 0.21 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1lwm h PRO 69 Cb 0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1lwm h PRO 69 CO -0.72 0.17 -0.41 1.88 -0.21 0.00 0.00 178.00 178.70 1lwm h TYR 70 N 0.26 -1.14 -1.04 0.65 0.05 -0.34 -1.72 116.97 113.70 1lwm h TYR 70 Ca 0.16 0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.21 1lwm h TYR 70 Cb 0.14 0.43 -0.10 0.00 1.01 0.00 0.00 36.73 38.21 1lwm h TYR 70 CO -0.15 -0.57 0.65 1.49 -1.05 0.00 0.00 178.16 178.53 1lwm h GLU 71 N -0.88 0.43 -0.85 4.88 4.22 -1.16 0.33 114.58 121.54 1lwm h GLU 71 Ca -0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1lwm h GLU 71 Cb 0.75 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1lwm h GLU 71 CO -0.01 0.28 0.42 0.00 -2.18 0.00 0.00 179.01 177.52 1lwm h ALA 72 N 1.65 1.10 -0.04 2.92 0.00 -0.76 -0.97 119.26 123.17 1lwm h ALA 72 Ca 0.62 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1lwm h ALA 72 Cb 1.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1lwm h ALA 72 CO -0.36 0.65 -0.52 -0.22 0.00 0.00 0.00 179.25 178.80 1lwm h LYS 73 N 1.21 0.11 0.00 0.00 3.64 0.48 -2.20 116.57 119.81 1lwm h LYS 73 Ca 0.29 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1lwm h LYS 73 Cb 0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1lwm h LYS 73 CO -0.04 0.60 -0.41 0.00 -2.27 0.00 0.00 179.45 177.34 1lwm h ALA 74 N 1.39 1.00 0.07 5.00 0.00 -0.54 -0.98 119.26 125.19 1lwm h ALA 74 Ca -0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.28 1lwm h ALA 74 Cb 0.95 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1lwm h ALA 74 CO 0.07 0.51 -1.10 0.37 0.00 0.00 0.00 179.25 179.10 1lwm h GLN 75 N 0.00 0.43 -0.05 0.00 5.75 -0.83 0.22 115.11 120.63 1lwm h GLN 75 Ca -0.00 -0.55 -0.15 0.00 -0.15 0.00 0.00 58.65 57.79 1lwm h GLN 75 Cb 0.92 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1lwm h GLN 75 CO 0.05 1.21 -0.65 0.00 -2.65 0.00 0.00 178.83 176.79 1lwm h ALA 76 N 0.58 0.80 0.00 3.38 0.00 -1.25 -2.14 119.26 120.62 1lwm h ALA 76 Ca -0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 1lwm h ALA 76 Cb 1.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1lwm h ALA 76 CO 0.19 0.77 -0.81 -0.44 0.00 0.00 0.00 179.25 178.96 1lwm h ASP 77 N 0.15 0.00 0.69 0.00 5.19 -1.19 -2.79 116.42 118.47 1lwm h ASP 77 Ca -0.01 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.26 1lwm h ASP 77 Cb 1.17 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1lwm h ASP 77 CO 0.10 0.37 -0.64 0.50 -3.12 0.00 0.00 179.24 176.44 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.11 -0.40 -1.92 116.57 120.92 1lwm h LYS 78 Ca -0.05 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.61 1lwm h LYS 78 Cb 1.33 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.53 1lwm h LYS 78 CO 0.04 0.64 -1.11 0.87 -2.81 0.00 0.00 179.45 177.08 1lwm h LYS 79 N 0.00 0.00 -0.02 1.90 1.79 -1.43 -2.04 116.57 116.76 1lwm h LYS 79 Ca -0.01 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1lwm h LYS 79 Cb 1.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1lwm h LYS 79 CO 0.08 0.54 -0.81 -0.09 -1.08 0.00 0.00 179.45 178.09 1lwm h ARG 80 N 0.00 0.24 0.07 3.15 9.65 -1.39 -0.26 114.38 125.85 1lwm h ARG 80 Ca -0.11 -0.23 -0.30 0.00 -1.10 0.00 0.00 59.98 58.24 1lwm h ARG 80 Cb 1.64 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.26 1lwm h ARG 80 CO 0.08 0.93 -1.57 -0.92 2.80 0.00 0.00 179.97 181.28 1lwm h TYR 81 N 0.15 0.27 0.00 2.20 3.20 -1.44 -3.15 116.97 118.21 1lwm h TYR 81 Ca -0.04 -0.20 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 1lwm h TYR 81 Cb 1.41 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1lwm h TYR 81 CO 0.03 1.28 -0.19 0.93 -1.64 0.00 0.00 178.16 178.56 1lwm h GLU 82 N 0.04 0.00 0.03 1.82 5.08 -1.42 -2.37 114.58 117.77 1lwm h GLU 82 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1lwm h GLU 82 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1lwm h GLU 82 CO 0.13 0.19 -0.02 1.03 -1.00 0.00 0.00 179.01 179.34 1lwm h SER 83 N 0.00 -0.04 -0.66 1.42 0.87 -1.14 -1.62 113.55 112.39 1lwm h SER 83 Ca -0.00 -0.66 -0.08 0.00 -1.23 0.00 0.00 61.79 59.82 1lwm h SER 83 Cb 1.09 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1lwm h SER 83 CO 0.03 0.70 0.11 -0.33 -0.53 0.00 0.00 176.83 176.81 1lwm h GLU 84 N -0.84 1.08 -0.49 2.24 4.39 -1.63 -2.23 114.58 117.10 1lwm h GLU 84 Ca -0.00 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 1lwm h GLU 84 Cb 0.70 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1lwm h GLU 84 CO 0.01 0.99 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.56 1lwm h LYS 85 N 1.00 0.86 -0.70 2.33 3.64 -1.53 -2.21 116.57 119.96 1lwm h LYS 85 Ca 0.20 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1lwm h LYS 85 Cb 0.43 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1lwm h LYS 85 CO 0.01 0.90 0.28 1.49 -2.27 0.00 0.00 179.45 179.86 1lwm h GLU 86 N 0.78 1.05 -0.62 1.90 4.22 -1.03 -1.93 114.58 118.96 1lwm h GLU 86 Ca 0.14 -0.19 -0.08 0.00 0.08 0.00 0.00 59.36 59.30 1lwm h GLU 86 Cb 0.57 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1lwm h GLU 86 CO 0.03 0.87 0.07 -0.07 -2.18 0.00 0.00 179.01 177.73 1lwm h LEU 87 N 1.01 1.02 0.11 1.64 3.38 -1.21 -0.83 115.31 120.43 1lwm h LEU 87 Ca 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1lwm h LEU 87 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1lwm h LEU 87 CO -0.02 1.04 -0.05 0.22 0.09 0.00 0.00 178.44 179.72 1lwm h TYR 88 N 0.96 -0.14 0.00 1.13 3.20 -1.11 0.19 116.97 121.20 1lwm h TYR 88 Ca 0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1lwm h TYR 88 Cb 0.48 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1lwm h TYR 88 CO 0.04 -0.05 -0.19 -0.97 -1.64 0.00 0.00 178.16 175.35 1lwm h ASN 89 N -0.19 0.00 1.37 -2.11 -1.24 -1.30 0.44 115.58 112.55 1lwm h ASN 89 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1lwm h ASN 89 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1lwm h ASN 89 CO 0.03 0.19 -0.35 0.00 -1.29 0.00 0.00 177.43 176.00 1lwm h ALA 90 N 1.81 0.80 0.00 1.57 0.00 -0.61 -0.74 119.26 122.09 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 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lwm h ALA 90 CO 0.02 0.00 -1.75 0.25 0.00 0.00 0.00 179.25 177.77 1lwm n THR 91 N -2.54 0.04 -0.02 0.00 -2.24 0.62 -4.35 114.28 105.80 1lwm n THR 91 Ca 0.03 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1lwm n THR 91 Cb 0.48 0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 1lwm n THR 91 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1lwm n LEU 92 N -2.14 0.00 0.00 3.22 0.00 0.07 -5.07 117.00 113.07 1lwm n LEU 92 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1lwm n LEU 92 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.99 1lwm n LEU 92 CO 0.45 0.04 0.00 0.00 0.00 0.00 0.00 177.39 177.88