#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 0.91 -1.49 3.17 0.24 -1.26 -5.12 118.33 114.79 1lwm n VAL 2 Ca 0.00 -2.61 -0.48 0.00 -2.04 0.00 0.00 64.34 59.21 1lwm n VAL 2 Cb 0.00 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 1lwm n VAL 2 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1lwm n THR 3 N -0.53 1.63 -1.15 3.34 -2.24 -1.26 -4.93 114.28 109.14 1lwm n THR 3 Ca 0.04 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1lwm n THR 3 Cb 0.82 -0.40 0.19 0.00 -2.10 0.00 0.00 70.33 68.84 1lwm n THR 3 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1lwm s PRO 4 N -0.95 0.13 -0.39 -0.78 0.04 -1.26 -5.06 135.00 126.73 1lwm s PRO 4 Ca 0.67 0.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1lwm s PRO 4 Cb -0.89 -1.71 0.21 0.00 0.04 0.00 0.00 34.50 32.15 1lwm s PRO 4 CO 0.57 -2.91 1.01 -2.13 0.04 0.00 0.00 177.00 173.57 1lwm n ARG 5 N -4.29 0.22 -2.28 4.56 0.63 -1.26 -5.14 116.66 109.10 1lwm n ARG 5 Ca 0.06 -1.11 -0.42 0.00 -0.92 0.00 0.00 57.85 55.45 1lwm n ARG 5 Cb 0.58 -0.29 -0.03 0.00 0.45 0.00 0.00 32.46 33.16 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 0.93 4.36 0.19 -0.14 2.12 -1.26 -4.95 118.70 119.95 1lwm s GLU 6 Ca 0.25 1.93 -0.33 0.00 0.36 0.00 0.00 54.97 57.19 1lwm s GLU 6 Cb 0.10 -3.35 -0.15 0.00 0.26 0.00 0.00 34.13 31.00 1lwm s GLU 6 CO -0.09 -0.39 1.34 -2.30 -0.54 0.00 0.00 175.26 173.28 1lwm n PRO 7 N 4.21 1.68 -0.00 4.30 -0.02 -1.26 -4.90 135.00 139.01 1lwm n PRO 7 Ca 0.11 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1lwm n PRO 7 Cb 0.44 -2.22 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.18 0.92 -3.36 -0.52 5.02 -1.26 -4.97 118.16 116.17 1lwm n LYS 8 Ca 0.14 -0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 1lwm n LYS 8 Cb 0.28 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.86 1lwm n LYS 8 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1lwm s LYS 9 N -2.86 0.02 0.04 1.97 2.47 -1.26 -5.17 119.74 114.94 1lwm s LYS 9 Ca 0.03 0.04 0.02 0.00 -1.56 0.00 0.00 55.97 54.49 1lwm s LYS 9 Cb 0.13 0.01 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1lwm s LYS 9 CO 0.75 -0.00 0.08 0.50 0.16 0.00 0.00 175.35 176.84 1lwm s ARG 10 N 1.62 2.98 0.31 4.03 3.52 -1.26 -5.12 118.95 125.02 1lwm s ARG 10 Ca -0.03 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1lwm s ARG 10 Cb -0.01 -2.79 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1lwm s ARG 10 CO -0.13 0.60 0.15 0.25 -0.81 0.00 0.00 175.30 175.36 1lwm n THR 11 N 0.75 0.00 -3.70 4.11 -2.24 -1.26 -5.17 114.28 106.78 1lwm n THR 11 Ca -0.10 -1.93 -0.20 0.00 -2.27 0.00 0.00 64.05 59.55 1lwm n THR 11 Cb 0.52 0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.88 4.65 0.07 4.28 2.01 -1.26 -5.13 115.64 117.39 1lwm s THR 12 Ca 0.22 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.30 1lwm s THR 12 Cb 0.01 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1lwm s THR 12 CO 0.15 -0.25 -0.16 -0.13 -0.69 0.00 0.00 174.62 173.55 1lwm s ARG 13 N -4.09 0.90 -0.07 4.92 3.00 -1.26 -5.03 118.95 117.32 1lwm s ARG 13 Ca 0.40 -0.98 0.03 0.00 0.00 0.00 0.00 55.73 55.17 1lwm s ARG 13 Cb -0.09 -0.96 0.08 0.00 0.00 0.00 0.00 34.95 33.98 1lwm s ARG 13 CO 0.30 0.22 1.00 0.36 0.00 0.00 0.00 175.30 177.18 1lwm n LYS 14 N 1.29 0.28 -0.70 3.54 2.85 -1.26 -5.15 118.16 119.01 1lwm n LYS 14 Ca -0.21 -0.92 -0.33 0.00 -1.05 0.00 0.00 58.31 55.81 1lwm n LYS 14 Cb 0.54 0.47 0.16 0.00 -0.65 0.00 0.00 35.03 35.55 1lwm n LYS 14 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1lwm n LYS 15 N -0.32 -1.44 -0.02 -1.58 3.00 -1.26 -5.01 118.16 111.53 1lwm n LYS 15 Ca -0.22 -0.41 -0.03 0.00 -0.00 0.00 0.00 58.31 57.65 1lwm n LYS 15 Cb 0.69 -1.64 -0.01 0.00 0.00 0.00 0.00 35.03 34.07 1lwm n LYS 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1lwm n LYS 16 N -1.65 0.16 -3.45 1.64 0.00 -1.26 -4.93 118.16 108.67 1lwm n LYS 16 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 58.31 58.11 1lwm n LYS 16 Cb 0.63 -0.69 -0.10 0.00 0.00 0.00 0.00 35.03 34.87 1lwm n LYS 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1lwm n ASP 17 N -3.21 0.76 -2.85 3.14 2.03 -1.26 -5.12 116.55 110.04 1lwm n ASP 17 Ca -0.04 -2.71 -0.10 0.00 0.52 0.00 0.00 54.79 52.46 1lwm n ASP 17 Cb 0.16 -0.62 0.08 0.00 -0.72 0.00 0.00 41.12 40.01 1lwm n ASP 17 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1lwm n PRO 18 N 2.15 -1.73 -3.32 -0.67 -0.04 -1.26 -4.64 135.00 125.49 1lwm n PRO 18 Ca 0.26 -0.56 -0.20 0.00 -0.04 0.00 0.00 63.50 62.96 1lwm n PRO 18 Cb 0.46 -0.53 0.02 0.00 -0.04 0.00 0.00 33.50 33.41 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 -3.61 -6.14 0.00 3.54 5.03 -1.26 -5.00 115.26 107.81 1lwm n ASN 19 Ca 0.05 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.67 1lwm n ASN 19 Cb 0.19 -1.88 0.00 0.00 -1.02 0.00 0.00 39.78 37.07 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lwm n ALA 20 N 0.49 0.00 -0.67 5.41 0.00 -1.26 -4.87 120.51 119.62 1lwm n ALA 20 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 1lwm n ALA 20 Cb 0.57 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.20 1lwm n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1lwm n PRO 21 N -0.05 -1.66 0.00 0.00 -0.02 -1.26 -4.50 135.00 127.51 1lwm n PRO 21 Ca 0.00 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1lwm n PRO 21 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.09 3.12 -2.41 -0.52 4.81 -1.26 -4.99 118.16 114.83 1lwm n LYS 22 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.24 1lwm n LYS 22 Cb 0.63 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.69 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 0.00 2.97 -2.48 1.64 0.00 -1.26 -5.05 116.66 112.47 1lwm n ARG 23 Ca 0.00 -4.12 -0.29 0.00 -0.00 0.00 0.00 57.85 53.44 1lwm n ARG 23 Cb 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 32.46 30.42 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 -3.52 3.32 0.29 5.13 0.00 -1.26 -5.10 121.76 120.62 1lwm s ALA 24 Ca 0.44 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1lwm s ALA 24 Cb 0.40 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1lwm s ALA 24 CO -0.07 -0.38 0.51 -0.51 0.00 0.00 0.00 175.76 175.31 1lwm s LEU 25 N -4.70 0.45 0.73 0.00 1.43 -1.26 -5.00 118.68 110.33 1lwm s LEU 25 Ca 0.50 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1lwm s LEU 25 Cb -0.10 1.82 0.04 0.00 0.03 0.00 0.00 46.19 47.98 1lwm s LEU 25 CO 0.45 -1.25 1.09 -0.94 0.23 0.00 0.00 176.35 175.93 1lwm s SER 26 N -3.08 5.04 0.59 2.29 1.04 -1.26 -4.50 113.70 113.82 1lwm s SER 26 Ca 0.24 0.85 0.29 0.00 0.48 0.00 0.00 55.95 57.80 1lwm s SER 26 Cb -0.01 -1.54 1.48 0.00 0.10 0.00 0.00 66.02 66.05 1lwm s SER 26 CO 0.12 -1.54 1.90 0.00 0.98 0.00 0.00 173.24 174.70 1lwm h ALA 27 N -0.72 2.13 0.09 5.32 0.00 -1.85 0.26 119.26 124.48 1lwm h ALA 27 Ca -0.45 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1lwm h ALA 27 Cb 1.29 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1lwm h ALA 27 CO 0.64 -0.69 -1.14 -0.92 0.00 0.00 0.00 179.25 177.13 1lwm h TYR 28 N 0.00 0.66 -0.12 0.00 3.20 -1.92 -2.65 116.97 116.13 1lwm h TYR 28 Ca 0.20 -0.42 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1lwm h TYR 28 Cb 1.14 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1lwm h TYR 28 CO 0.00 1.28 -0.34 0.52 -1.64 0.00 0.00 178.16 177.97 1lwm h MET 29 N 0.17 0.24 0.22 1.82 2.86 -0.85 0.20 114.93 119.60 1lwm h MET 29 Ca -0.13 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1lwm h MET 29 Cb 1.82 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.47 1lwm h MET 29 CO 0.20 0.56 -0.11 0.74 1.06 0.00 0.00 176.91 179.36 1lwm h PHE 30 N 0.21 -0.28 0.00 -0.22 0.04 -1.43 0.97 116.94 116.22 1lwm h PHE 30 Ca 0.03 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1lwm h PHE 30 Cb 0.71 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.96 1lwm h PHE 30 CO 0.01 0.05 -0.02 0.35 -0.60 0.00 0.00 178.31 178.10 1lwm h PHE 31 N -0.97 0.00 0.01 -0.55 3.04 -1.49 -1.93 116.94 115.06 1lwm h PHE 31 Ca -0.03 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.46 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.93 1lwm h PHE 31 CO 0.05 0.02 -1.56 0.00 -2.02 0.00 0.00 178.31 174.81 1lwm h ALA 32 N 1.98 0.64 -0.05 2.41 0.00 -0.61 -1.95 119.26 121.68 1lwm h ALA 32 Ca -0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 54.91 53.48 1lwm h ALA 32 Cb 0.22 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1lwm h ALA 32 CO 0.00 1.47 -0.46 -0.91 0.00 0.00 0.00 179.25 179.35 1lwm h ASN 33 N 0.01 0.12 0.06 0.00 -0.26 -0.03 0.17 115.58 115.65 1lwm h ASN 33 Ca -0.23 -0.05 -0.33 0.00 -0.56 0.00 0.00 56.30 55.13 1lwm h ASN 33 Cb 1.96 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 39.16 1lwm h ASN 33 CO 0.10 0.57 -1.81 1.21 -1.06 0.00 0.00 177.43 176.43 1lwm n GLU 34 N -3.98 0.67 0.22 0.81 2.13 -0.97 -4.09 120.64 115.44 1lwm n GLU 34 Ca -0.02 0.37 0.08 0.00 0.66 0.00 0.00 57.16 58.25 1lwm n GLU 34 Cb 0.50 -1.69 0.52 0.00 0.27 0.00 0.00 31.44 31.04 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1lwm h ASN 35 N -0.39 0.00 0.66 4.31 -0.26 -1.41 -1.83 115.58 116.67 1lwm h ASN 35 Ca -0.43 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.29 1lwm h ASN 35 Cb 1.74 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.00 1lwm h ASN 35 CO -0.07 0.25 -0.11 0.08 -1.06 0.00 0.00 177.43 176.52 1lwm h ARG 36 N 0.00 0.00 0.01 0.81 -0.00 -1.12 -2.04 114.38 112.04 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 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.46 1lwm h ARG 36 CO 0.03 0.11 -1.71 -3.47 -0.00 0.00 0.00 179.97 174.93 1lwm n ASP 37 N -3.38 0.95 -0.14 0.08 2.03 -0.73 -1.68 116.55 113.68 1lwm n ASP 37 Ca -0.01 0.41 -0.11 0.00 0.52 0.00 0.00 54.79 55.61 1lwm n ASP 37 Cb 0.30 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.57 1lwm n ASP 37 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1lwm h ILE 38 N 0.00 1.27 0.19 5.18 1.08 -1.07 0.35 117.51 124.52 1lwm h ILE 38 Ca -0.29 -1.17 -0.29 0.00 -0.39 0.00 0.00 64.86 62.72 1lwm h ILE 38 Cb 2.01 1.17 0.02 0.00 -3.07 0.00 0.00 36.82 36.95 1lwm h ILE 38 CO 0.08 0.40 -1.37 0.58 -0.69 0.00 0.00 178.15 177.15 1lwm h VAL 39 N 0.62 1.22 0.00 1.67 2.07 -1.53 -2.62 116.25 117.67 1lwm h VAL 39 Ca 0.11 -2.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 1lwm h VAL 39 Cb 0.61 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1lwm h VAL 39 CO 0.04 0.78 -0.08 -0.09 0.02 0.00 0.00 177.57 178.24 1lwm h ARG 40 N -0.07 0.00 0.23 1.57 2.43 -1.35 0.29 114.38 117.48 1lwm h ARG 40 Ca -0.26 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.58 1lwm h ARG 40 Cb 1.96 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.53 1lwm h ARG 40 CO 0.19 0.08 -1.54 0.77 -1.51 0.00 0.00 179.97 177.96 1lwm h SER 41 N 0.00 0.75 1.20 -3.80 0.02 -0.33 -2.20 113.55 109.19 1lwm h SER 41 Ca -0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1lwm h SER 41 Cb 0.38 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1lwm h SER 41 CO 0.01 1.72 -0.02 -0.62 -1.14 0.00 0.00 176.83 176.79 1lwm n GLU 42 N -3.71 0.12 -3.15 3.45 -0.58 -0.97 -4.07 120.64 111.74 1lwm n GLU 42 Ca -0.20 0.10 -0.18 0.00 -0.42 0.00 0.00 57.16 56.46 1lwm n GLU 42 Cb 1.08 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 1lwm n GLU 42 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1lwm n ASN 43 N -1.85 0.40 0.30 1.62 3.02 1.00 -4.95 115.26 114.79 1lwm n ASN 43 Ca 0.06 -3.02 0.13 0.00 -0.03 0.00 0.00 54.58 51.73 1lwm n ASN 43 Cb 0.38 -0.37 0.66 0.00 -0.61 0.00 0.00 39.78 39.84 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1lwm h PRO 44 N 3.19 0.00 0.11 3.52 0.11 -1.54 0.26 132.00 137.65 1lwm h PRO 44 Ca 0.07 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.86 1lwm h PRO 44 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1lwm h PRO 44 CO 0.46 0.00 -1.68 0.22 -0.21 0.00 0.00 178.00 176.79 1lwm h ASP 45 N 0.00 0.35 -2.76 -2.05 1.82 -1.92 -3.48 116.42 108.38 1lwm h ASP 45 Ca 0.03 -0.58 -0.52 0.00 -0.39 0.00 0.00 57.03 55.56 1lwm h ASP 45 Cb 1.00 -0.12 0.23 0.00 0.68 0.00 0.00 39.33 41.12 1lwm h ASP 45 CO -0.00 1.50 -1.11 0.00 -1.61 0.00 0.00 179.24 178.03 1lwm n ILE 46 N -3.41 0.00 -4.21 2.25 3.06 0.92 -5.01 119.36 112.96 1lwm n ILE 46 Ca -0.21 -0.28 -0.25 0.00 -2.50 0.00 0.00 62.75 59.52 1lwm n ILE 46 Cb 1.05 -0.42 -0.08 0.00 0.54 0.00 0.00 39.64 40.73 1lwm n ILE 46 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1lwm s THR 47 N -2.25 2.30 0.05 9.51 -4.23 -1.26 -5.01 115.64 114.75 1lwm s THR 47 Ca 0.51 -1.75 0.32 0.00 -1.18 0.00 0.00 61.69 59.58 1lwm s THR 47 Cb -0.17 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.02 1lwm s THR 47 CO 0.71 -0.02 1.96 0.15 -0.54 0.00 0.00 174.62 176.89 1lwm h PHE 48 N 1.50 0.00 0.00 3.99 3.04 -1.97 -1.50 116.94 122.00 1lwm h PHE 48 Ca -0.43 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1lwm h PHE 48 Cb 1.25 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.76 1lwm h PHE 48 CO 0.65 0.00 0.00 0.78 -2.02 0.00 0.00 178.31 177.72 1lwm h GLY 49 N 1.17 0.00 0.00 2.40 0.00 -2.00 -2.29 103.07 102.34 1lwm h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lwm h GLY 49 CO 0.00 0.00 -0.74 -1.06 0.00 0.00 0.00 176.54 174.74 1lwm n GLN 50 N -2.53 2.79 0.08 4.80 1.13 -0.88 -4.54 117.38 118.24 1lwm n GLN 50 Ca -0.01 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.92 1lwm n GLN 50 Cb 0.11 -0.87 -0.08 0.00 0.11 0.00 0.00 30.24 29.51 1lwm n GLN 50 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1lwm h VAL 51 N 0.00 0.98 -0.13 5.09 2.07 -1.24 -0.21 116.25 122.82 1lwm h VAL 51 Ca 0.00 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1lwm h VAL 51 Cb 0.65 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1lwm h VAL 51 CO 0.00 0.11 -0.20 1.23 0.02 0.00 0.00 177.57 178.74 1lwm h GLY 52 N -0.40 0.23 2.00 2.17 0.00 -1.67 -1.70 103.07 103.69 1lwm h GLY 52 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1lwm h GLY 52 CO 0.03 0.14 -0.01 1.70 0.00 0.00 0.00 176.54 178.40 1lwm h LYS 53 N 0.20 0.00 0.19 4.80 3.64 -1.69 -1.99 116.57 121.72 1lwm h LYS 53 Ca 0.04 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.10 1lwm h LYS 53 Cb 0.47 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1lwm h LYS 53 CO 0.03 0.01 -1.46 -0.22 -2.27 0.00 0.00 179.45 175.54 1lwm h LYS 54 N 0.00 0.41 0.00 1.90 1.63 -0.16 -2.29 116.57 118.06 1lwm h LYS 54 Ca -0.00 -0.70 -0.11 0.00 -0.85 0.00 0.00 60.65 58.99 1lwm h LYS 54 Cb 0.75 0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 1lwm h LYS 54 CO 0.00 1.32 -0.54 -0.07 -3.45 0.00 0.00 179.45 176.71 1lwm h LEU 55 N 0.11 0.00 0.08 5.20 3.38 -1.31 -0.94 115.31 121.83 1lwm h LEU 55 Ca -0.23 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.45 1lwm h LEU 55 Cb 2.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.86 1lwm h LEU 55 CO 0.23 0.54 -1.21 1.23 0.09 0.00 0.00 178.44 179.32 1lwm h GLY 56 N 2.10 0.65 2.00 0.83 0.00 -1.41 -1.53 103.07 105.71 1lwm h GLY 56 Ca -0.01 -1.35 -0.14 0.00 0.00 0.00 0.00 47.33 45.83 1lwm h GLY 56 CO 0.07 1.19 -0.67 1.05 0.00 0.00 0.00 176.54 178.18 1lwm h GLU 57 N 0.26 0.00 0.06 4.80 4.11 -1.38 -1.59 114.58 120.84 1lwm h GLU 57 Ca -0.17 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.12 1lwm h GLU 57 Cb 1.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.14 1lwm h GLU 57 CO 0.23 0.67 -0.60 0.87 0.07 0.00 0.00 179.01 180.25 1lwm h LYS 58 N 0.00 0.30 -0.07 1.06 1.57 -1.22 -2.33 116.57 115.87 1lwm h LYS 58 Ca -0.01 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1lwm h LYS 58 Cb 1.30 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 1lwm h LYS 58 CO 0.09 1.13 0.00 2.35 -0.57 0.00 0.00 179.45 182.45 1lwm h TRP 59 N -0.34 0.14 -0.56 -1.35 2.91 -1.33 0.54 115.95 115.96 1lwm h TRP 59 Ca -0.09 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 59.94 1lwm h TRP 59 Cb 1.39 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.96 1lwm h TRP 59 CO 0.18 0.40 0.33 0.87 -1.03 0.00 0.00 178.44 179.19 1lwm h LYS 60 N -0.15 0.62 0.00 2.65 1.79 -1.41 0.16 116.57 120.22 1lwm h LYS 60 Ca 0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1lwm h LYS 60 Cb 0.34 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1lwm h LYS 60 CO 0.00 0.41 0.00 0.00 -1.08 0.00 0.00 179.45 178.78 1lwm n ALA 61 N -2.30 2.44 -2.16 3.86 0.00 -0.88 -4.82 120.51 116.66 1lwm n ALA 61 Ca 0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1lwm n ALA 61 Cb 0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.60 4.35 0.34 0.00 0.05 0.19 -4.94 118.68 116.07 1lwm s LEU 62 Ca 0.27 2.29 -0.26 0.00 0.05 0.00 0.00 54.13 56.47 1lwm s LEU 62 Cb 0.20 -3.58 -0.13 0.00 -2.05 0.00 0.00 46.19 40.63 1lwm s LEU 62 CO 0.45 -0.70 0.95 1.07 -0.55 0.00 0.00 176.35 177.57 1lwm n THR 63 N 4.23 2.10 0.29 5.48 5.66 -1.26 -4.69 114.28 126.09 1lwm n THR 63 Ca 0.12 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.79 1lwm n THR 63 Cb 0.42 -0.98 0.85 0.00 -1.55 0.00 0.00 70.33 69.07 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 1.70 0.00 -0.51 1.09 0.11 -1.94 -1.54 132.00 130.90 1lwm h PRO 64 Ca -0.41 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.75 1lwm h PRO 64 Cb 1.35 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 1lwm h PRO 64 CO 0.58 0.00 0.25 0.93 -0.21 0.00 0.00 178.00 179.55 1lwm h GLU 65 N 0.00 0.46 0.07 1.05 4.39 -2.00 0.35 114.58 118.90 1lwm h GLU 65 Ca 0.04 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1lwm h GLU 65 Cb 0.65 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1lwm h GLU 65 CO -0.00 0.31 -1.47 0.93 -1.16 0.00 0.00 179.01 177.62 1lwm h GLU 66 N 0.48 0.15 0.00 2.33 4.39 -1.64 -3.27 114.58 117.02 1lwm h GLU 66 Ca 0.23 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1lwm h GLU 66 Cb 0.16 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1lwm h GLU 66 CO -0.17 0.97 0.00 -0.22 -1.16 0.00 0.00 179.01 178.43 1lwm h LYS 67 N 0.04 0.00 0.51 2.33 3.64 -1.14 -2.68 116.57 119.26 1lwm h LYS 67 Ca -0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1lwm h LYS 67 Cb 1.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1lwm h LYS 67 CO 0.14 0.00 -0.24 1.96 -2.27 0.00 0.00 179.45 179.03 1lwm h GLN 68 N 0.00 -0.66 -0.43 1.90 4.20 -0.35 -1.66 115.11 118.10 1lwm h GLN 68 Ca 0.00 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1lwm h GLN 68 Cb 0.33 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1lwm h GLN 68 CO 0.00 -0.39 -0.06 -1.00 -0.67 0.00 0.00 178.83 176.71 1lwm h PRO 69 N -1.12 0.74 0.22 1.46 0.13 -1.71 -2.07 132.00 129.65 1lwm h PRO 69 Ca -0.07 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1lwm h PRO 69 Cb 0.57 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1lwm h PRO 69 CO 0.11 0.79 -0.11 1.88 -0.23 0.00 0.00 178.00 180.45 1lwm h TYR 70 N 0.68 -0.28 -0.93 1.56 0.05 -1.56 -1.37 116.97 115.13 1lwm h TYR 70 Ca 0.13 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.93 1lwm h TYR 70 Cb 0.51 0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 1lwm h TYR 70 CO 0.02 -0.08 0.61 1.49 -1.05 0.00 0.00 178.16 179.16 1lwm h GLU 71 N -0.43 1.16 -0.13 4.88 4.57 -1.25 -1.08 114.58 122.29 1lwm h GLU 71 Ca -0.03 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1lwm h GLU 71 Cb 0.33 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1lwm h GLU 71 CO 0.05 0.77 -0.04 0.00 -1.18 0.00 0.00 179.01 178.61 1lwm h ALA 72 N 1.37 1.69 -0.13 2.92 0.00 -1.20 -1.40 119.26 122.52 1lwm h ALA 72 Ca 0.36 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1lwm h ALA 72 Cb -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1lwm h ALA 72 CO -0.11 0.23 -0.66 -0.22 0.00 0.00 0.00 179.25 178.49 1lwm h LYS 73 N 0.19 0.50 0.00 0.00 1.63 -0.06 -2.20 116.57 116.62 1lwm h LYS 73 Ca 0.04 -0.37 -0.09 0.00 -0.85 0.00 0.00 60.65 59.38 1lwm h LYS 73 Cb 0.21 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1lwm h LYS 73 CO 0.01 0.99 -0.43 0.00 -3.45 0.00 0.00 179.45 176.57 1lwm h ALA 74 N 0.92 1.11 -0.02 5.00 0.00 -0.56 -1.60 119.26 124.11 1lwm h ALA 74 Ca -0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1lwm h ALA 74 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lwm h ALA 74 CO 0.12 0.54 -0.90 0.37 0.00 0.00 0.00 179.25 179.37 1lwm h GLN 75 N 0.00 0.42 -0.08 0.00 5.75 -1.13 0.23 115.11 120.29 1lwm h GLN 75 Ca -0.00 -0.43 -0.14 0.00 -0.15 0.00 0.00 58.65 57.93 1lwm h GLN 75 Cb 0.85 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1lwm h GLN 75 CO 0.06 1.09 -0.55 0.00 -2.65 0.00 0.00 178.83 176.77 1lwm h ALA 76 N 0.77 0.91 0.00 3.38 0.00 -1.17 -2.12 119.26 121.02 1lwm h ALA 76 Ca -0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1lwm h ALA 76 Cb 1.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1lwm h ALA 76 CO 0.16 0.69 -0.75 -0.44 0.00 0.00 0.00 179.25 178.91 1lwm h ASP 77 N 0.19 0.00 0.68 0.00 3.32 -1.26 -2.92 116.42 116.43 1lwm h ASP 77 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1lwm h ASP 77 Cb 1.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1lwm h ASP 77 CO 0.09 0.25 -0.64 0.50 -1.72 0.00 0.00 179.24 177.71 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.64 -0.32 -2.00 116.57 121.45 1lwm h LYS 78 Ca -0.04 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 1lwm h LYS 78 Cb 1.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1lwm h LYS 78 CO 0.03 0.64 -1.07 0.87 -2.27 0.00 0.00 179.45 177.65 1lwm h LYS 79 N 0.00 0.00 -0.05 1.90 1.57 -1.44 -2.18 116.57 116.37 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1lwm h LYS 79 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1lwm h LYS 79 CO 0.08 0.55 -0.80 0.00 -0.57 0.00 0.00 179.45 178.71 1lwm h ARG 80 N 0.00 0.40 0.15 3.15 3.08 -1.40 0.13 114.38 119.89 1lwm h ARG 80 Ca -0.10 -0.36 -0.31 0.00 0.07 0.00 0.00 59.98 59.28 1lwm h ARG 80 Cb 1.63 0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.77 1lwm h ARG 80 CO 0.08 1.01 -1.50 -0.92 -1.07 0.00 0.00 179.97 177.57 1lwm h TYR 81 N 0.26 0.59 0.00 3.04 5.03 -1.46 -2.92 116.97 121.51 1lwm h TYR 81 Ca -0.05 -0.43 -0.07 0.00 2.58 0.00 0.00 58.73 60.76 1lwm h TYR 81 Cb 1.40 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.64 1lwm h TYR 81 CO 0.05 1.44 -0.34 1.05 -1.32 0.00 0.00 178.16 179.04 1lwm h GLU 82 N 0.09 0.00 -0.00 1.82 -0.00 -1.45 -2.48 114.58 112.55 1lwm h GLU 82 Ca -0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.06 1lwm h GLU 82 Cb 2.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.80 1lwm h GLU 82 CO 0.19 0.34 -0.24 0.77 -0.00 0.00 0.00 179.01 180.07 1lwm h SER 83 N 0.00 0.22 -0.55 3.06 0.02 -0.82 -1.93 113.55 113.55 1lwm h SER 83 Ca -0.00 -0.77 -0.07 0.00 -0.84 0.00 0.00 61.79 60.11 1lwm h SER 83 Cb 1.19 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1lwm h SER 83 CO 0.04 0.96 0.07 -0.33 -1.14 0.00 0.00 176.83 176.43 1lwm h GLU 84 N -0.49 0.93 -0.67 3.45 5.08 -1.58 -2.27 114.58 119.02 1lwm h GLU 84 Ca -0.03 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1lwm h GLU 84 Cb 0.99 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1lwm h GLU 84 CO 0.05 0.91 0.15 -0.22 -1.00 0.00 0.00 179.01 178.89 1lwm h LYS 85 N 0.82 1.08 -0.71 2.33 3.64 -1.53 -2.20 116.57 120.00 1lwm h LYS 85 Ca 0.17 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1lwm h LYS 85 Cb 0.44 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1lwm h LYS 85 CO 0.01 0.96 0.38 1.49 -2.27 0.00 0.00 179.45 180.03 1lwm h GLU 86 N 1.02 1.00 -0.67 1.90 4.81 -1.13 -2.00 114.58 119.52 1lwm h GLU 86 Ca 0.21 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1lwm h GLU 86 Cb 0.38 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1lwm h GLU 86 CO 0.00 0.76 0.21 -0.07 -0.73 0.00 0.00 179.01 179.19 1lwm h LEU 87 N 0.98 0.97 0.11 1.64 3.38 -1.15 -1.23 115.31 120.01 1lwm h LEU 87 Ca 0.25 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1lwm h LEU 87 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1lwm h LEU 87 CO -0.04 0.92 -0.06 0.22 0.09 0.00 0.00 178.44 179.57 1lwm h TYR 88 N 0.97 -0.16 -0.08 1.13 5.03 -1.04 0.51 116.97 123.33 1lwm h TYR 88 Ca 0.22 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1lwm h TYR 88 Cb 0.29 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1lwm h TYR 88 CO 0.02 -0.10 -0.10 -0.97 -1.32 0.00 0.00 178.16 175.69 1lwm h ASN 89 N -0.17 0.10 1.76 -2.11 -1.24 -1.27 -1.04 115.58 111.62 1lwm h ASN 89 Ca -0.01 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1lwm h ASN 89 Cb 0.14 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 1lwm h ASN 89 CO 0.01 0.22 -0.00 0.00 -1.29 0.00 0.00 177.43 176.38 1lwm h ALA 90 N 1.79 1.00 0.00 1.57 0.00 -0.65 -1.99 119.26 120.98 1lwm h ALA 90 Ca 0.02 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1lwm h ALA 90 Cb 0.25 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1lwm h ALA 90 CO 0.01 0.00 -1.35 1.79 0.00 0.00 0.00 179.25 179.71 1lwm h THR 91 N 0.00 0.86 0.00 0.00 1.35 0.32 -3.39 112.91 112.05 1lwm h THR 91 Ca -0.00 -2.50 -0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1lwm h THR 91 Cb 0.88 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1lwm h THR 91 CO 0.00 0.49 -0.25 0.25 -0.25 0.00 0.00 175.52 175.76 1lwm h LEU 92 N 0.00 0.00 0.00 3.87 6.46 -1.27 -3.51 115.31 120.86 1lwm h LEU 92 Ca -0.17 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1lwm h LEU 92 Cb 1.75 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.68 1lwm h LEU 92 CO 0.07 0.64 0.00 0.00 -0.62 0.00 0.00 178.44 178.53