#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 2.19 -3.73 2.03 0.24 -1.26 -4.99 118.33 112.81 1lwm n VAL 2 Ca 0.00 -4.53 -0.37 0.00 -2.04 0.00 0.00 64.34 57.40 1lwm n VAL 2 Cb 0.00 -0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 31.33 1lwm n VAL 2 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1lwm s THR 3 N -5.03 3.47 0.51 3.34 2.01 -1.26 -5.09 115.64 113.59 1lwm s THR 3 Ca 0.45 -1.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.27 1lwm s THR 3 Cb 0.41 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 1lwm s THR 3 CO -0.12 -0.69 1.14 -2.16 -0.69 0.00 0.00 174.62 172.11 1lwm s PRO 4 N 1.19 3.52 -0.05 4.92 0.04 -1.26 -5.06 135.00 138.30 1lwm s PRO 4 Ca 0.07 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1lwm s PRO 4 Cb -0.23 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1lwm s PRO 4 CO -0.03 -0.73 0.21 -0.98 0.04 0.00 0.00 177.00 175.51 1lwm s ARG 5 N -3.05 0.40 -0.39 4.56 1.70 -1.26 -5.12 118.95 115.80 1lwm s ARG 5 Ca 0.69 0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.98 1lwm s ARG 5 Cb -0.26 0.18 0.18 0.00 -0.57 0.00 0.00 34.95 34.49 1lwm s ARG 5 CO 0.30 -0.08 0.79 -1.83 -1.08 0.00 0.00 175.30 173.40 1lwm s GLU 6 N -0.59 0.62 1.13 3.89 -1.05 -1.26 -5.17 118.70 116.27 1lwm s GLU 6 Ca -0.07 -0.27 -0.19 0.00 -0.15 0.00 0.00 54.97 54.29 1lwm s GLU 6 Cb -0.04 0.06 0.12 0.00 -0.44 0.00 0.00 34.13 33.82 1lwm s GLU 6 CO 0.01 -0.87 0.03 -2.30 0.95 0.00 0.00 175.26 173.08 1lwm n PRO 7 N 3.97 -1.74 -3.50 -4.83 -0.02 -1.26 -4.05 135.00 123.57 1lwm n PRO 7 Ca 0.10 -0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 60.87 1lwm n PRO 7 Cb 0.59 -1.69 0.06 0.00 -0.02 0.00 0.00 33.50 32.44 1lwm n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lwm n LYS 8 N -2.15 -3.06 -0.08 -0.52 5.02 -1.26 -4.95 118.16 111.17 1lwm n LYS 8 Ca 0.01 0.69 -0.17 0.00 -2.02 0.00 0.00 58.31 56.82 1lwm n LYS 8 Cb 0.61 -5.18 -0.06 0.00 -0.02 0.00 0.00 35.03 30.38 1lwm n LYS 8 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1lwm n LYS 9 N -3.85 0.36 -2.25 1.97 3.00 -1.26 -5.12 118.16 111.01 1lwm n LYS 9 Ca -0.16 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1lwm n LYS 9 Cb 0.63 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.56 1lwm n LYS 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1lwm n ARG 10 N -3.82 -4.63 -3.40 1.64 3.00 -1.26 -4.99 116.66 103.20 1lwm n ARG 10 Ca -0.30 3.33 -0.26 0.00 -0.01 0.00 0.00 57.85 60.61 1lwm n ARG 10 Cb 0.68 -4.09 -0.09 0.00 0.00 0.00 0.00 32.46 28.96 1lwm n ARG 10 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1lwm n THR 11 N 1.89 -0.13 -1.02 0.55 5.66 -1.26 -4.85 114.28 115.12 1lwm n THR 11 Ca 0.00 -4.08 0.01 0.00 -3.05 0.00 0.00 64.05 56.93 1lwm n THR 11 Cb 0.00 -1.90 0.01 0.00 -1.55 0.00 0.00 70.33 66.90 1lwm n THR 11 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1lwm n THR 12 N 1.95 0.39 -0.53 1.09 -1.04 -1.26 -5.10 114.28 109.78 1lwm n THR 12 Ca 0.25 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 61.55 1lwm n THR 12 Cb 0.47 0.67 0.23 0.00 -1.82 0.00 0.00 70.33 69.88 1lwm n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1lwm n ARG 13 N -0.24 -1.93 -3.44 -2.82 1.74 -1.26 -4.97 116.66 103.74 1lwm n ARG 13 Ca 0.02 -0.52 -0.43 0.00 -0.77 0.00 0.00 57.85 56.14 1lwm n ARG 13 Cb 0.51 -2.22 -0.09 0.00 -1.02 0.00 0.00 32.46 29.64 1lwm n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1lwm s LYS 14 N -4.45 2.94 0.54 5.56 -0.14 -1.26 -5.07 119.74 117.86 1lwm s LYS 14 Ca 0.68 -1.21 -0.18 0.00 -1.36 0.00 0.00 55.97 53.91 1lwm s LYS 14 Cb -0.25 -4.03 -0.06 0.00 -1.68 0.00 0.00 37.83 31.82 1lwm s LYS 14 CO 0.63 -0.89 1.04 0.15 -0.76 0.00 0.00 175.35 175.52 1lwm s LYS 15 N 1.64 3.59 -0.34 1.68 -0.14 -1.26 -5.04 119.74 119.86 1lwm s LYS 15 Ca 0.04 1.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.90 1lwm s LYS 15 Cb -0.22 -2.07 0.11 0.00 -1.68 0.00 0.00 37.83 33.97 1lwm s LYS 15 CO 0.08 -0.59 0.12 0.21 -0.76 0.00 0.00 175.35 174.41 1lwm s LYS 16 N -3.72 0.93 0.07 1.68 2.47 -1.26 -5.12 119.74 114.79 1lwm s LYS 16 Ca 0.65 -1.38 0.04 0.00 -1.56 0.00 0.00 55.97 53.72 1lwm s LYS 16 Cb -0.15 -2.21 -0.04 0.00 -1.46 0.00 0.00 37.83 33.97 1lwm s LYS 16 CO 0.29 -1.02 -0.01 0.16 0.16 0.00 0.00 175.35 174.93 1lwm s ASP 17 N 1.25 4.95 0.99 1.43 1.47 -1.26 -5.12 116.67 120.39 1lwm s ASP 17 Ca 0.12 -0.17 -0.12 0.00 1.18 0.00 0.00 52.55 53.56 1lwm s ASP 17 Cb -0.19 -1.18 0.18 0.00 -0.34 0.00 0.00 42.92 41.39 1lwm s ASP 17 CO -0.17 0.20 0.41 -2.65 0.68 0.00 0.00 175.17 173.63 1lwm n PRO 18 N 0.76 -1.81 -1.39 2.11 -0.02 -1.26 -4.56 135.00 128.84 1lwm n PRO 18 Ca -0.12 -0.69 -0.50 0.00 -2.02 0.00 0.00 63.50 60.18 1lwm n PRO 18 Cb 0.52 -1.20 -0.13 0.00 -0.02 0.00 0.00 33.50 32.66 1lwm n PRO 18 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lwm n ASN 19 N -2.25 0.53 -4.39 2.55 5.03 -1.26 -4.89 115.26 110.58 1lwm n ASN 19 Ca 0.07 0.40 -0.20 0.00 0.87 0.00 0.00 54.58 55.71 1lwm n ASN 19 Cb 0.28 -0.92 -0.10 0.00 -1.02 0.00 0.00 39.78 38.02 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 7.66 2.28 0.38 5.41 0.00 -1.26 -4.45 121.76 131.78 1lwm s ALA 20 Ca 1.28 -1.74 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 1lwm s ALA 20 Cb -1.35 -0.15 -0.11 0.00 0.00 0.00 0.00 23.12 21.50 1lwm s ALA 20 CO 0.56 0.14 1.05 -2.30 0.00 0.00 0.00 175.76 175.22 1lwm n PRO 21 N -0.47 1.47 -0.80 0.00 -0.02 -1.26 -4.62 135.00 129.30 1lwm n PRO 21 Ca -0.07 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1lwm n PRO 21 Cb 0.60 -2.05 0.24 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.31 2.68 -2.97 -0.52 4.81 -1.26 -5.01 118.16 116.20 1lwm n LYS 22 Ca 0.09 -3.04 -0.01 0.00 -0.87 0.00 0.00 58.31 54.47 1lwm n LYS 22 Cb 0.37 -1.96 -0.01 0.00 0.02 0.00 0.00 35.03 33.45 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 -0.70 -2.07 -0.56 1.64 0.00 -1.26 -4.82 116.66 108.89 1lwm n ARG 23 Ca 0.34 1.76 -0.28 0.00 -0.00 0.00 0.00 57.85 59.67 1lwm n ARG 23 Cb 1.15 -1.85 0.26 0.00 0.00 0.00 0.00 32.46 32.01 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lwm s ALA 24 N -0.20 -0.55 0.25 5.13 0.00 -1.26 -4.92 121.76 120.22 1lwm s ALA 24 Ca -0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 1lwm s ALA 24 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1lwm s ALA 24 CO 0.19 -3.94 0.36 -0.51 0.00 0.00 0.00 175.76 171.87 1lwm s LEU 25 N -7.27 0.75 0.12 0.00 1.43 -1.26 -5.04 118.68 107.42 1lwm s LEU 25 Ca 0.68 -1.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1lwm s LEU 25 Cb -0.24 1.23 -0.04 0.00 0.03 0.00 0.00 46.19 47.17 1lwm s LEU 25 CO 0.64 -1.07 -0.10 -0.94 0.23 0.00 0.00 176.35 175.11 1lwm s SER 26 N -3.11 1.62 0.56 2.29 1.04 -1.26 -4.53 113.70 110.31 1lwm s SER 26 Ca 0.30 -0.93 0.32 0.00 0.48 0.00 0.00 55.95 56.12 1lwm s SER 26 Cb 0.02 0.00 1.48 0.00 0.10 0.00 0.00 66.02 67.62 1lwm s SER 26 CO 0.13 -0.31 1.83 0.00 0.98 0.00 0.00 173.24 175.87 1lwm h ALA 27 N 3.11 2.79 0.03 5.32 0.00 -1.84 0.38 119.26 129.05 1lwm h ALA 27 Ca -0.37 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 1lwm h ALA 27 Cb 1.19 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1lwm h ALA 27 CO 0.59 -1.17 -1.06 -0.92 0.00 0.00 0.00 179.25 176.70 1lwm h TYR 28 N 0.00 0.85 -0.19 0.00 3.20 -1.95 -2.62 116.97 116.26 1lwm h TYR 28 Ca 0.43 -0.48 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 1lwm h TYR 28 Cb 1.83 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.00 1lwm h TYR 28 CO 0.00 1.32 -0.22 0.52 -1.64 0.00 0.00 178.16 178.14 1lwm h MET 29 N 0.29 0.33 0.29 1.82 2.86 -0.67 0.35 114.93 120.21 1lwm h MET 29 Ca -0.12 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1lwm h MET 29 Cb 1.71 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.35 1lwm h MET 29 CO 0.20 0.55 -0.14 0.74 1.06 0.00 0.00 176.91 179.31 1lwm h PHE 30 N 0.30 -0.36 0.00 -0.22 0.04 -1.34 0.36 116.94 115.73 1lwm h PHE 30 Ca 0.05 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1lwm h PHE 30 Cb 0.57 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1lwm h PHE 30 CO 0.01 -0.06 0.00 0.35 -0.60 0.00 0.00 178.31 178.02 1lwm h PHE 31 N -1.00 0.00 0.04 -0.55 3.04 -1.46 -2.29 116.94 114.71 1lwm h PHE 31 Ca -0.04 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.61 1lwm h PHE 31 Cb 0.46 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1lwm h PHE 31 CO 0.04 0.00 -1.65 0.00 -2.02 0.00 0.00 178.31 174.68 1lwm h ALA 32 N 2.12 0.61 0.00 2.41 0.00 -0.27 -1.95 119.26 122.18 1lwm h ALA 32 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 54.91 53.44 1lwm h ALA 32 Cb 0.30 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1lwm h ALA 32 CO 0.00 1.45 -0.57 -0.91 0.00 0.00 0.00 179.25 179.21 1lwm h ASN 33 N 0.02 0.00 0.08 0.00 -0.26 -0.37 0.01 115.58 115.07 1lwm h ASN 33 Ca -0.27 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.15 1lwm h ASN 33 Cb 1.99 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.23 1lwm h ASN 33 CO 0.10 0.57 -1.74 1.21 -1.06 0.00 0.00 177.43 176.51 1lwm n GLU 34 N -3.80 0.69 0.19 0.81 4.07 -0.96 -3.89 120.64 117.75 1lwm n GLU 34 Ca -0.01 0.37 0.04 0.00 -0.06 0.00 0.00 57.16 57.50 1lwm n GLU 34 Cb 0.59 -1.72 0.37 0.00 -0.06 0.00 0.00 31.44 30.61 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1lwm h ASN 35 N -0.30 0.00 0.69 4.31 -0.26 -1.41 -2.17 115.58 116.44 1lwm h ASN 35 Ca -0.40 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.31 1lwm h ASN 35 Cb 1.78 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.04 1lwm h ASN 35 CO -0.01 0.38 -0.15 0.08 -1.06 0.00 0.00 177.43 176.66 1lwm h ARG 36 N 0.00 0.00 0.06 0.81 -0.00 -1.14 -2.22 114.38 111.89 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 59.68 1lwm h ARG 36 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.67 1lwm h ARG 36 CO 0.05 0.15 -1.57 -0.44 -0.00 0.00 0.00 179.97 178.16 1lwm h ASP 37 N 0.00 0.18 -0.70 0.08 5.19 -1.52 -2.17 116.42 117.48 1lwm h ASP 37 Ca -0.00 -0.30 -0.07 0.00 -0.62 0.00 0.00 57.03 56.04 1lwm h ASP 37 Cb 0.54 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1lwm h ASP 37 CO 0.02 1.26 0.16 0.40 -3.12 0.00 0.00 179.24 177.96 1lwm h ILE 38 N 0.03 1.26 0.12 0.35 2.04 -1.10 0.24 117.51 120.46 1lwm h ILE 38 Ca -0.24 -0.98 -0.26 0.00 1.00 0.00 0.00 64.86 64.37 1lwm h ILE 38 Cb 1.98 0.55 0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1lwm h ILE 38 CO 0.12 0.38 -1.10 0.58 0.00 0.00 0.00 178.15 178.12 1lwm h VAL 39 N 1.06 1.34 0.00 1.67 2.07 -1.53 -2.59 116.25 118.27 1lwm h VAL 39 Ca 0.22 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 1lwm h VAL 39 Cb 0.38 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1lwm h VAL 39 CO 0.00 0.73 -0.07 0.03 0.02 0.00 0.00 177.57 178.28 1lwm h ARG 40 N 0.09 0.00 0.24 1.57 3.08 -1.29 0.24 114.38 118.32 1lwm h ARG 40 Ca -0.17 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.54 1lwm h ARG 40 Cb 1.80 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.89 1lwm h ARG 40 CO 0.21 0.07 -1.54 0.77 -1.07 0.00 0.00 179.97 178.41 1lwm h SER 41 N 0.00 0.80 1.20 7.04 0.02 -0.50 -0.76 113.55 121.36 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 0.39 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1lwm h SER 41 CO 0.01 1.73 -0.12 -0.62 -1.14 0.00 0.00 176.83 176.69 1lwm n GLU 42 N -3.69 0.18 -2.87 3.45 1.02 -0.97 -4.37 120.64 113.39 1lwm n GLU 42 Ca -0.18 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 1lwm n GLU 42 Cb 1.10 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 30.85 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 -1.99 -2.21 0.00 1.62 6.94 0.82 -4.97 115.26 115.47 1lwm n ASN 43 Ca 0.06 -3.11 0.07 0.00 -0.02 0.00 0.00 54.58 51.58 1lwm n ASN 43 Cb 0.40 1.21 0.36 0.00 -2.36 0.00 0.00 39.78 39.40 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 1.76 0.20 0.05 -0.53 -0.04 -0.29 -2.72 135.00 133.43 1lwm n PRO 44 Ca 0.13 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1lwm n PRO 44 Cb 0.60 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.41 -0.68 3.54 5.19 -1.94 -3.45 116.42 119.50 1lwm h ASP 45 Ca 0.00 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1lwm h ASP 45 Cb 0.13 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1lwm h ASP 45 CO 0.00 0.86 0.00 2.30 -3.12 0.00 0.00 179.24 179.28 1lwm n ILE 46 N -3.95 0.00 -3.35 0.35 -5.35 -1.10 -5.14 119.36 100.81 1lwm n ILE 46 Ca -0.02 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 1lwm n ILE 46 Cb 0.57 -1.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 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 0.00 0.00 0.24 7.28 -2.24 -1.26 -5.00 114.28 113.29 1lwm n THR 47 Ca 0.00 -0.25 0.18 0.00 -2.27 0.00 0.00 64.05 61.71 1lwm n THR 47 Cb 0.00 0.20 0.84 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.19 0.00 -1.24 4.78 3.57 -1.96 -1.16 116.94 122.12 1lwm h PHE 48 Ca -0.06 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.80 1lwm h PHE 48 Cb 0.24 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 1lwm h PHE 48 CO 0.00 0.00 0.85 0.78 -2.23 0.00 0.00 178.31 177.71 1lwm h GLY 49 N 0.00 0.61 0.00 2.40 0.00 -1.99 -1.28 103.07 102.80 1lwm h GLY 49 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1lwm h GLY 49 CO -0.00 -0.11 -0.41 0.61 0.00 0.00 0.00 176.54 176.63 1lwm n GLN 50 N -4.39 3.00 -0.02 4.80 0.00 -0.73 -4.57 117.38 115.48 1lwm n GLN 50 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 57.14 1lwm n GLN 50 Cb 1.24 -0.64 -0.11 0.00 0.00 0.00 0.00 30.24 30.73 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 0.00 1.52 -0.07 -0.39 2.07 -0.87 -0.71 116.25 117.79 1lwm h VAL 51 Ca 0.00 -1.96 -0.16 0.00 0.82 0.00 0.00 66.70 65.40 1lwm h VAL 51 Cb 0.00 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1lwm h VAL 51 CO 0.00 0.54 -0.65 1.23 0.02 0.00 0.00 177.57 178.72 1lwm h GLY 52 N -0.41 0.31 2.00 2.17 0.00 -1.48 -1.82 103.07 103.85 1lwm h GLY 52 Ca -0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1lwm h GLY 52 CO 0.06 0.36 -0.61 0.07 0.00 0.00 0.00 176.54 176.42 1lwm h LYS 53 N 0.20 0.00 -0.01 4.80 5.09 -1.65 -1.54 116.57 123.46 1lwm h LYS 53 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.62 1lwm h LYS 53 Cb 1.18 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.51 1lwm h LYS 53 CO 0.10 0.61 -0.43 0.87 -2.09 0.00 0.00 179.45 178.52 1lwm h LYS 54 N 0.00 0.31 -0.02 0.07 1.79 -1.04 -2.27 116.57 115.41 1lwm h LYS 54 Ca -0.01 -0.32 -0.11 0.00 -2.18 0.00 0.00 60.65 58.03 1lwm h LYS 54 Cb 1.45 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.17 1lwm h LYS 54 CO 0.08 1.01 -0.50 1.37 -1.08 0.00 0.00 179.45 180.32 1lwm h LEU 55 N -0.25 0.06 -0.63 2.94 8.10 -1.40 -2.52 115.31 121.61 1lwm h LEU 55 Ca -0.05 -0.03 -0.13 0.00 0.11 0.00 0.00 57.88 57.79 1lwm h LEU 55 Cb 1.14 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 41.33 1lwm h LEU 55 CO 0.08 0.56 -0.28 1.23 -4.11 0.00 0.00 178.44 175.92 1lwm h GLY 56 N 1.48 0.84 0.94 0.17 0.00 -1.28 -1.42 103.07 103.80 1lwm h GLY 56 Ca -0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 1lwm h GLY 56 CO 0.07 0.69 -0.18 0.83 0.00 0.00 0.00 176.54 177.95 1lwm h GLU 57 N 0.66 0.67 -0.46 4.80 5.08 -1.25 -0.27 114.58 123.81 1lwm h GLU 57 Ca 0.08 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1lwm h GLU 57 Cb 0.81 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1lwm h GLU 57 CO 0.07 0.90 0.17 0.87 -1.00 0.00 0.00 179.01 180.02 1lwm h LYS 58 N 0.43 0.67 -0.10 2.33 1.79 -1.38 -1.89 116.57 118.41 1lwm h LYS 58 Ca 0.07 -0.10 -0.18 0.00 -2.18 0.00 0.00 60.65 58.26 1lwm h LYS 58 Cb 0.72 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1lwm h LYS 58 CO 0.05 0.57 -0.68 2.35 -1.08 0.00 0.00 179.45 180.65 1lwm h TRP 59 N 0.66 0.59 0.00 -1.35 2.91 -1.06 0.62 115.95 118.32 1lwm h TRP 59 Ca 0.16 -0.25 -0.02 0.00 1.13 0.00 0.00 58.89 59.91 1lwm h TRP 59 Cb 0.16 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 1lwm h TRP 59 CO 0.01 0.99 -0.09 1.57 -1.03 0.00 0.00 178.44 179.89 1lwm h LYS 60 N 0.31 0.00 -0.08 2.65 5.09 -0.25 -2.39 116.57 121.91 1lwm h LYS 60 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1lwm h LYS 60 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 1lwm h LYS 60 CO 0.12 0.09 0.00 0.00 -2.09 0.00 0.00 179.45 177.57 1lwm n ALA 61 N -2.46 2.11 -0.99 0.07 0.00 -0.96 -5.05 120.51 113.22 1lwm n ALA 61 Ca -0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 53.44 52.14 1lwm n ALA 61 Cb 0.17 -0.12 0.15 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.90 2.32 0.11 0.00 -0.00 0.22 -4.93 118.68 115.49 1lwm s LEU 62 Ca 0.06 1.72 -0.31 0.00 -0.00 0.00 0.00 54.13 55.60 1lwm s LEU 62 Cb 0.03 -4.10 -0.09 0.00 -0.00 0.00 0.00 46.19 42.03 1lwm s LEU 62 CO 0.04 -2.88 1.54 -0.89 -0.00 0.00 0.00 176.35 174.16 1lwm s THR 63 N -2.79 2.99 0.02 5.48 2.01 -1.26 -4.86 115.64 117.24 1lwm s THR 63 Ca 0.65 0.62 0.19 0.00 0.31 0.00 0.00 61.69 63.45 1lwm s THR 63 Cb -0.20 -3.40 0.19 0.00 0.01 0.00 0.00 72.50 69.10 1lwm s THR 63 CO 0.58 0.03 1.52 -0.65 -0.69 0.00 0.00 174.62 175.41 1lwm h PRO 64 N 7.37 0.00 -0.49 4.92 0.11 -1.96 -0.67 132.00 141.28 1lwm h PRO 64 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1lwm h PRO 64 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1lwm h PRO 64 CO 0.91 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.54 1lwm h GLU 65 N 0.00 0.92 0.12 1.05 4.39 -2.00 -0.11 114.58 118.95 1lwm h GLU 65 Ca 0.00 -0.34 -0.29 0.00 0.34 0.00 0.00 59.36 59.07 1lwm h GLU 65 Cb 0.37 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1lwm h GLU 65 CO 0.00 0.99 -1.43 0.93 -1.16 0.00 0.00 179.01 178.35 1lwm h GLU 66 N 0.78 0.25 0.00 2.33 4.39 -1.51 -3.27 114.58 117.55 1lwm h GLU 66 Ca 0.13 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 1lwm h GLU 66 Cb 0.64 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1lwm h GLU 66 CO 0.04 1.13 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.77 1lwm h LYS 67 N 0.07 0.00 0.61 2.33 3.64 -1.44 -2.55 116.57 119.23 1lwm h LYS 67 Ca -0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1lwm h LYS 67 Cb 2.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1lwm h LYS 67 CO 0.17 0.04 -0.29 1.96 -2.27 0.00 0.00 179.45 179.06 1lwm h GLN 68 N 0.00 -0.79 -0.73 1.90 4.20 -1.05 -1.65 115.11 116.99 1lwm h GLN 68 Ca -0.00 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1lwm h GLN 68 Cb 0.48 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1lwm h GLN 68 CO 0.01 -0.51 0.32 -1.00 -0.67 0.00 0.00 178.83 176.98 1lwm h PRO 69 N -1.19 1.06 0.26 1.46 0.13 -1.66 -2.29 132.00 129.76 1lwm h PRO 69 Ca -0.08 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1lwm h PRO 69 Cb 0.65 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1lwm h PRO 69 CO 0.14 0.85 -0.16 1.88 -0.23 0.00 0.00 178.00 180.48 1lwm h TYR 70 N 1.03 -0.42 -0.96 1.56 -1.99 -1.54 -1.52 116.97 113.13 1lwm h TYR 70 Ca 0.25 -0.00 0.13 0.00 2.00 0.00 0.00 58.73 61.10 1lwm h TYR 70 Cb 0.16 0.15 -0.09 0.00 2.00 0.00 0.00 36.73 38.95 1lwm h TYR 70 CO 0.01 -0.25 0.58 1.49 -0.00 0.00 0.00 178.16 179.99 1lwm h GLU 71 N -0.41 0.86 -0.27 4.88 4.57 -1.20 0.16 114.58 123.18 1lwm h GLU 71 Ca -0.02 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1lwm h GLU 71 Cb 0.34 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1lwm h GLU 71 CO 0.02 0.57 0.07 0.00 -1.18 0.00 0.00 179.01 178.50 1lwm h ALA 72 N 1.54 1.63 -0.08 2.92 0.00 -0.90 -1.23 119.26 123.15 1lwm h ALA 72 Ca 0.49 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 1lwm h ALA 72 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1lwm h ALA 72 CO -0.29 0.28 -0.56 -0.22 0.00 0.00 0.00 179.25 178.46 1lwm h LYS 73 N 0.38 0.23 0.00 0.00 1.63 0.30 -2.29 116.57 116.82 1lwm h LYS 73 Ca 0.09 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 1lwm h LYS 73 Cb 0.14 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1lwm h LYS 73 CO -0.01 0.73 -0.53 0.00 -3.45 0.00 0.00 179.45 176.20 1lwm h ALA 74 N 1.24 1.05 -0.08 5.00 0.00 -0.27 -1.64 119.26 124.56 1lwm h ALA 74 Ca -0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1lwm h ALA 74 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1lwm h ALA 74 CO 0.09 0.66 -0.78 0.37 0.00 0.00 0.00 179.25 179.59 1lwm h GLN 75 N 0.00 0.49 -0.10 0.00 5.75 -1.04 0.20 115.11 120.41 1lwm h GLN 75 Ca -0.01 -0.42 -0.14 0.00 -0.15 0.00 0.00 58.65 57.94 1lwm h GLN 75 Cb 0.98 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1lwm h GLN 75 CO 0.07 1.06 -0.53 0.00 -2.65 0.00 0.00 178.83 176.77 1lwm h ALA 76 N 0.82 0.90 0.00 3.38 0.00 -1.24 -2.07 119.26 121.05 1lwm h ALA 76 Ca -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1lwm h ALA 76 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1lwm h ALA 76 CO 0.14 0.68 -0.52 -0.44 0.00 0.00 0.00 179.25 179.11 1lwm h ASP 77 N 0.23 0.00 0.70 0.00 5.19 -1.23 -2.81 116.42 118.51 1lwm h ASP 77 Ca 0.01 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1lwm h ASP 77 Cb 1.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 1lwm h ASP 77 CO 0.09 0.27 -0.67 0.50 -3.12 0.00 0.00 179.24 176.30 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.64 -0.30 -2.13 116.57 121.34 1lwm h LYS 78 Ca -0.02 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1lwm h LYS 78 Cb 1.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1lwm h LYS 78 CO 0.03 0.67 -0.98 1.57 -2.27 0.00 0.00 179.45 178.47 1lwm h LYS 79 N 0.00 0.00 -0.15 1.90 2.10 -1.39 -2.28 116.57 116.75 1lwm h LYS 79 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 1lwm h LYS 79 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1lwm h LYS 79 CO 0.09 0.62 -0.73 -0.09 -2.00 0.00 0.00 179.45 177.33 1lwm h ARG 80 N 0.00 0.68 0.11 0.07 9.65 -1.38 0.22 114.38 123.73 1lwm h ARG 80 Ca -0.07 -0.54 -0.29 0.00 -1.10 0.00 0.00 59.98 57.99 1lwm h ARG 80 Cb 1.62 0.11 0.02 0.00 -1.39 0.00 0.00 29.97 30.33 1lwm h ARG 80 CO 0.08 1.16 -1.21 -0.92 2.80 0.00 0.00 179.97 181.88 1lwm h TYR 81 N 0.48 0.85 0.00 2.20 3.20 -1.47 -2.69 116.97 119.53 1lwm h TYR 81 Ca -0.04 -0.54 -0.03 0.00 3.14 0.00 0.00 58.73 61.26 1lwm h TYR 81 Cb 1.34 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1lwm h TYR 81 CO 0.07 1.39 -0.17 0.93 -1.64 0.00 0.00 178.16 178.75 1lwm h GLU 82 N 0.22 0.00 -0.00 1.82 5.08 -1.45 -2.48 114.58 117.77 1lwm h GLU 82 Ca -0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1lwm h GLU 82 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1lwm h GLU 82 CO 0.22 0.17 -0.04 0.66 -1.00 0.00 0.00 179.01 179.02 1lwm h SER 83 N 0.00 0.04 -0.59 1.42 4.64 -0.58 -1.81 113.55 116.67 1lwm h SER 83 Ca -0.00 -0.78 -0.07 0.00 -0.47 0.00 0.00 61.79 60.47 1lwm h SER 83 Cb 1.04 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1lwm h SER 83 CO 0.02 0.81 0.10 -0.33 -0.87 0.00 0.00 176.83 176.57 1lwm h GLU 84 N -0.73 0.98 -0.63 4.77 4.39 -1.54 -2.35 114.58 119.46 1lwm h GLU 84 Ca -0.01 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1lwm h GLU 84 Cb 0.82 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1lwm h GLU 84 CO 0.01 0.92 0.11 -0.22 -1.16 0.00 0.00 179.01 178.67 1lwm h LYS 85 N 0.88 1.01 -0.47 2.33 3.11 -1.54 -2.20 116.57 119.70 1lwm h LYS 85 Ca 0.18 -0.25 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1lwm h LYS 85 Cb 0.41 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 1lwm h LYS 85 CO 0.01 0.93 0.28 1.49 -2.81 0.00 0.00 179.45 179.35 1lwm h GLU 86 N 0.96 0.64 -0.84 1.90 4.81 -1.07 -2.23 114.58 118.75 1lwm h GLU 86 Ca 0.19 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1lwm h GLU 86 Cb 0.40 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1lwm h GLU 86 CO 0.01 0.48 0.41 -0.07 -0.73 0.00 0.00 179.01 179.10 1lwm h LEU 87 N 0.63 1.10 0.12 1.64 3.38 -1.22 -1.96 115.31 119.01 1lwm h LEU 87 Ca 0.17 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1lwm h LEU 87 Cb 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1lwm h LEU 87 CO -0.03 0.93 -0.16 0.22 0.09 0.00 0.00 178.44 179.49 1lwm h TYR 88 N 1.20 -0.41 -0.48 1.13 5.03 -1.00 0.64 116.97 123.09 1lwm h TYR 88 Ca 0.29 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1lwm h TYR 88 Cb 0.12 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 1lwm h TYR 88 CO 0.01 -0.24 0.31 -2.95 -1.32 0.00 0.00 178.16 173.98 1lwm h ASN 89 N -0.32 0.55 1.47 -2.11 -1.07 -1.26 -0.07 115.58 112.76 1lwm h ASN 89 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1lwm h ASN 89 Cb 0.33 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 1lwm h ASN 89 CO -0.07 0.40 0.00 0.00 0.07 0.00 0.00 177.43 177.84 1lwm h ALA 90 N 1.70 1.00 0.00 4.14 0.00 -0.72 -2.33 119.26 123.04 1lwm h ALA 90 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1lwm h ALA 90 Cb -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1lwm h ALA 90 CO -0.04 0.00 -1.23 2.41 0.00 0.00 0.00 179.25 180.39 1lwm n THR 91 N -3.04 0.50 -0.06 0.00 -1.04 0.16 -4.46 114.28 106.34 1lwm n THR 91 Ca 0.02 -0.54 -0.03 0.00 -2.04 0.00 0.00 64.05 61.47 1lwm n THR 91 Cb 0.41 -0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 68.64 1lwm n THR 91 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1lwm h LEU 92 N 0.00 0.00 -1.51 -4.42 7.12 -0.94 -3.51 115.31 112.05 1lwm h LEU 92 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1lwm h LEU 92 Cb 1.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1lwm h LEU 92 CO 0.00 0.64 0.00 0.00 -0.13 0.00 0.00 178.44 178.95