#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwm s VAL 2 N 0.00 -0.36 -0.40 2.03 -7.23 -1.26 -5.05 120.40 108.13 1lwm s VAL 2 Ca 0.00 -0.30 0.08 0.00 -1.81 0.00 0.00 61.98 59.95 1lwm s VAL 2 Cb 0.00 -0.83 0.26 0.00 0.56 0.00 0.00 36.38 36.37 1lwm s VAL 2 CO 0.00 -0.34 0.59 0.35 -0.31 0.00 0.00 175.10 175.39 1lwm n THR 3 N 5.31 -0.56 -2.25 5.32 -2.24 -1.26 -5.13 114.28 113.47 1lwm n THR 3 Ca -0.04 -3.78 -0.40 0.00 -2.27 0.00 0.00 64.05 57.55 1lwm n THR 3 Cb 0.48 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.10 4.37 0.00 -0.78 0.04 -1.26 -4.93 135.00 131.33 1lwm s PRO 4 Ca 0.35 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1lwm s PRO 4 Cb 0.20 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1lwm s PRO 4 CO -0.12 -0.11 0.00 -2.13 0.04 0.00 0.00 177.00 174.68 1lwm n ARG 5 N 0.75 0.00 -4.47 4.56 3.00 -1.26 -5.15 116.66 114.09 1lwm n ARG 5 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.60 1lwm n ARG 5 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.76 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1lwm s GLU 6 N 0.00 1.32 -0.40 -0.14 4.04 -1.26 -5.07 118.70 117.19 1lwm s GLU 6 Ca 0.00 -1.14 -0.33 0.00 0.04 0.00 0.00 54.97 53.55 1lwm s GLU 6 Cb 0.00 -1.59 -0.11 0.00 0.02 0.00 0.00 34.13 32.45 1lwm s GLU 6 CO 0.00 0.39 2.27 -2.30 -1.84 0.00 0.00 175.26 173.77 1lwm n PRO 7 N 1.33 1.09 -0.21 -4.83 -0.02 -1.26 -4.83 135.00 126.26 1lwm n PRO 7 Ca -0.18 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1lwm n PRO 7 Cb 0.53 -2.61 0.13 0.00 -0.02 0.00 0.00 33.50 31.53 1lwm n PRO 7 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1lwm h LYS 8 N 13.65 0.32 -4.26 -0.52 1.63 -2.04 -3.45 116.57 121.90 1lwm h LYS 8 Ca -0.26 -0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.25 1lwm h LYS 8 Cb 1.30 -0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 32.76 1lwm h LYS 8 CO 1.06 0.21 -0.30 0.21 -3.45 0.00 0.00 179.45 177.18 1lwm s LYS 9 N -6.08 1.72 -0.32 1.90 2.20 -1.26 -5.14 119.74 112.76 1lwm s LYS 9 Ca -0.13 -1.71 -0.02 0.00 -0.36 0.00 0.00 55.97 53.76 1lwm s LYS 9 Cb 0.18 0.40 0.12 0.00 -1.51 0.00 0.00 37.83 37.03 1lwm s LYS 9 CO 0.75 -0.68 0.21 0.50 -0.36 0.00 0.00 175.35 175.76 1lwm s ARG 10 N -3.44 0.36 -0.79 4.03 3.52 -1.26 -5.08 118.95 116.29 1lwm s ARG 10 Ca 0.32 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.94 1lwm s ARG 10 Cb 0.01 -1.07 -0.17 0.00 -1.56 0.00 0.00 34.95 32.17 1lwm s ARG 10 CO 0.19 -1.09 2.52 -2.37 -0.81 0.00 0.00 175.30 173.73 1lwm n THR 11 N 4.81 -0.03 -3.44 4.11 5.66 -1.26 -4.83 114.28 119.31 1lwm n THR 11 Ca 0.02 -0.40 -0.26 0.00 -3.05 0.00 0.00 64.05 60.36 1lwm n THR 11 Cb 0.42 -1.45 -0.11 0.00 -1.55 0.00 0.00 70.33 67.63 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 9.86 -0.01 -0.34 1.09 2.01 -1.26 -5.11 115.64 121.89 1lwm s THR 12 Ca 1.18 -1.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 1lwm s THR 12 Cb -0.71 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1lwm s THR 12 CO 0.38 -0.86 0.93 0.00 -0.69 0.00 0.00 174.62 174.37 1lwm s ARG 13 N 1.24 3.94 0.22 4.92 1.70 -1.26 -5.03 118.95 124.68 1lwm s ARG 13 Ca 0.17 0.72 0.09 0.00 -0.47 0.00 0.00 55.73 56.24 1lwm s ARG 13 Cb -0.21 -3.76 -0.05 0.00 -0.57 0.00 0.00 34.95 30.37 1lwm s ARG 13 CO -0.03 -0.86 -0.16 0.15 -1.08 0.00 0.00 175.30 173.33 1lwm s LYS 14 N 3.37 1.40 -0.16 3.89 1.02 -1.26 -5.05 119.74 122.95 1lwm s LYS 14 Ca 0.38 -1.62 0.14 0.00 0.02 0.00 0.00 55.97 54.89 1lwm s LYS 14 Cb -0.13 -1.27 0.38 0.00 -0.52 0.00 0.00 37.83 36.29 1lwm s LYS 14 CO 0.16 0.22 1.19 0.36 -0.92 0.00 0.00 175.35 176.36 1lwm n LYS 15 N -0.41 1.29 -2.57 1.68 -0.00 -1.26 -5.01 118.16 111.87 1lwm n LYS 15 Ca -0.07 -2.92 -0.42 0.00 -0.00 0.00 0.00 58.31 54.89 1lwm n LYS 15 Cb 0.60 -1.37 -0.02 0.00 -0.00 0.00 0.00 35.03 34.23 1lwm n LYS 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1lwm s LYS 16 N -2.69 3.58 -0.09 -1.58 2.20 -1.26 -4.55 119.74 115.36 1lwm s LYS 16 Ca 0.35 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1lwm s LYS 16 Cb 0.34 -3.98 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1lwm s LYS 16 CO -0.06 -1.59 0.12 -3.47 -0.36 0.00 0.00 175.35 169.99 1lwm n ASP 17 N 8.30 -3.80 -3.10 1.43 2.03 -1.26 -4.96 116.55 115.19 1lwm n ASP 17 Ca 0.10 1.26 0.00 0.00 0.52 0.00 0.00 54.79 56.67 1lwm n ASP 17 Cb 0.49 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1lwm n ASP 17 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1lwm n PRO 18 N 2.04 0.35 -1.52 -0.67 -0.02 -1.26 -4.61 135.00 129.32 1lwm n PRO 18 Ca -0.20 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.87 1lwm n PRO 18 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.72 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 -1.16 1.82 -4.34 2.55 5.03 -1.26 -4.92 115.26 112.97 1lwm n ASN 19 Ca 0.00 -0.08 -0.30 0.00 0.87 0.00 0.00 54.58 55.07 1lwm n ASN 19 Cb 0.00 -1.34 -0.14 0.00 -1.02 0.00 0.00 39.78 37.27 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 10.06 2.23 0.72 5.41 0.00 -1.26 -4.29 121.76 134.63 1lwm s ALA 20 Ca 1.11 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1lwm s ALA 20 Cb -0.62 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1lwm s ALA 20 CO 0.38 0.52 0.63 -2.30 0.00 0.00 0.00 175.76 174.99 1lwm n PRO 21 N 1.68 0.34 -1.35 0.00 -0.02 -1.26 -4.75 135.00 129.64 1lwm n PRO 21 Ca -0.17 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 1lwm n PRO 21 Cb 0.52 -1.91 0.11 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.99 2.59 -2.90 -0.52 4.81 -1.26 -5.01 118.16 114.88 1lwm n LYS 22 Ca 0.11 -3.73 -0.19 0.00 -0.87 0.00 0.00 58.31 53.63 1lwm n LYS 22 Cb 0.50 -1.93 0.02 0.00 0.02 0.00 0.00 35.03 33.63 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 -0.89 -1.00 -0.49 1.64 0.63 -1.26 -4.87 116.66 110.43 1lwm n ARG 23 Ca 0.31 0.93 -0.25 0.00 -0.92 0.00 0.00 57.85 57.93 1lwm n ARG 23 Cb 0.84 -1.28 0.19 0.00 0.45 0.00 0.00 32.46 32.67 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lwm n ALA 24 N 0.39 -2.65 -2.57 5.13 0.00 -1.26 -5.04 120.51 114.51 1lwm n ALA 24 Ca -0.04 -1.31 -0.09 0.00 0.00 0.00 0.00 53.44 51.99 1lwm n ALA 24 Cb 0.50 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.45 1.32 0.30 0.00 1.02 -1.26 -5.03 118.68 112.58 1lwm s LEU 25 Ca 0.50 -0.78 0.07 0.00 0.02 0.00 0.00 54.13 53.94 1lwm s LEU 25 Cb -0.10 1.02 -0.03 0.00 0.02 0.00 0.00 46.19 47.10 1lwm s LEU 25 CO 0.48 -0.78 0.26 -0.94 0.02 0.00 0.00 176.35 175.39 1lwm s SER 26 N -2.91 5.43 0.56 2.29 1.04 -1.26 -4.55 113.70 114.29 1lwm s SER 26 Ca 0.10 -0.37 0.30 0.00 0.48 0.00 0.00 55.95 56.46 1lwm s SER 26 Cb 0.05 -1.18 1.46 0.00 0.10 0.00 0.00 66.02 66.45 1lwm s SER 26 CO -0.06 -0.22 1.90 0.00 0.98 0.00 0.00 173.24 175.84 1lwm h ALA 27 N 1.33 2.54 0.03 5.32 0.00 -1.85 0.29 119.26 126.92 1lwm h ALA 27 Ca -0.46 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1lwm h ALA 27 Cb 1.25 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1lwm h ALA 27 CO 0.59 -0.89 -0.99 -0.92 0.00 0.00 0.00 179.25 177.04 1lwm h TYR 28 N 0.00 0.51 -0.28 0.00 3.20 -1.94 -2.65 116.97 115.81 1lwm h TYR 28 Ca 0.32 -0.29 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1lwm h TYR 28 Cb 1.41 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 1lwm h TYR 28 CO 0.00 1.13 -0.21 0.52 -1.64 0.00 0.00 178.16 177.97 1lwm h MET 29 N 0.17 0.52 0.23 1.82 2.86 -0.82 0.30 114.93 120.01 1lwm h MET 29 Ca -0.08 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1lwm h MET 29 Cb 1.64 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.26 1lwm h MET 29 CO 0.16 0.70 -0.11 0.74 1.06 0.00 0.00 176.91 179.46 1lwm h PHE 30 N 0.46 -0.28 0.00 -0.22 0.04 -1.44 0.42 116.94 115.92 1lwm h PHE 30 Ca 0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1lwm h PHE 30 Cb 0.62 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1lwm h PHE 30 CO 0.02 0.07 0.00 0.35 -0.60 0.00 0.00 178.31 178.15 1lwm h PHE 31 N -0.94 0.00 0.05 -0.55 3.04 -1.49 -2.21 116.94 114.84 1lwm h PHE 31 Ca -0.03 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.62 1lwm h PHE 31 Cb 0.48 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1lwm h PHE 31 CO 0.06 0.00 -1.64 0.00 -2.02 0.00 0.00 178.31 174.70 1lwm h ALA 32 N 2.02 0.56 0.00 2.41 0.00 -0.39 -2.07 119.26 121.79 1lwm h ALA 32 Ca 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 54.91 53.49 1lwm h ALA 32 Cb 0.26 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1lwm h ALA 32 CO 0.00 1.41 -0.51 -0.91 0.00 0.00 0.00 179.25 179.24 1lwm h ASN 33 N 0.03 0.00 0.06 0.00 -0.26 -0.32 0.85 115.58 115.94 1lwm h ASN 33 Ca -0.27 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.17 1lwm h ASN 33 Cb 1.99 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.23 1lwm h ASN 33 CO 0.10 0.51 -1.64 -0.62 -1.06 0.00 0.00 177.43 174.72 1lwm n GLU 34 N -3.93 0.66 0.12 0.81 1.02 -0.95 -4.07 120.64 114.31 1lwm n GLU 34 Ca -0.01 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.66 1lwm n GLU 34 Cb 0.52 -1.73 0.46 0.00 -0.02 0.00 0.00 31.44 30.68 1lwm n GLU 34 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1lwm n ASN 35 N -3.96 0.67 0.15 1.62 3.02 -0.78 -2.40 115.26 113.59 1lwm n ASN 35 Ca -0.32 0.63 0.03 0.00 -0.03 0.00 0.00 54.58 54.88 1lwm n ASN 35 Cb 0.87 -0.79 0.18 0.00 -0.61 0.00 0.00 39.78 39.43 1lwm n ASN 35 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1lwm h ARG 36 N 0.00 0.00 0.11 3.52 2.43 -0.97 -2.25 114.38 117.22 1lwm h ARG 36 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1lwm h ARG 36 Cb 0.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1lwm h ARG 36 CO 0.00 0.51 -1.98 -0.25 -1.51 0.00 0.00 179.97 176.74 1lwm n ASP 37 N -3.45 2.01 -0.17 -3.80 9.92 -1.01 -1.89 116.55 118.16 1lwm n ASP 37 Ca 0.00 0.23 -0.08 0.00 -0.53 0.00 0.00 54.79 54.41 1lwm n ASP 37 Cb 0.63 -0.79 0.01 0.00 -0.64 0.00 0.00 41.12 40.34 1lwm n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1lwm h ILE 38 N 0.07 1.22 0.15 0.53 2.04 -1.53 0.07 117.51 120.05 1lwm h ILE 38 Ca -0.41 -0.70 -0.31 0.00 1.00 0.00 0.00 64.86 64.44 1lwm h ILE 38 Cb 2.03 0.75 0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1lwm h ILE 38 CO 0.09 0.26 -1.30 0.58 0.00 0.00 0.00 178.15 177.78 1lwm h VAL 39 N 0.66 1.28 -0.30 1.67 2.07 -1.57 -2.65 116.25 117.41 1lwm h VAL 39 Ca 0.16 -2.51 0.05 0.00 0.82 0.00 0.00 66.70 65.22 1lwm h VAL 39 Cb 0.23 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1lwm h VAL 39 CO -0.01 0.76 0.20 -0.09 0.02 0.00 0.00 177.57 178.46 1lwm h ARG 40 N 0.24 0.18 0.05 1.57 2.43 -1.28 0.60 114.38 118.17 1lwm h ARG 40 Ca -0.21 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.72 1lwm h ARG 40 Cb 1.98 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1lwm h ARG 40 CO 0.25 0.12 -1.05 0.66 -1.51 0.00 0.00 179.97 178.44 1lwm h SER 41 N 0.19 0.39 0.81 -3.80 4.64 -0.98 -2.90 113.55 111.90 1lwm h SER 41 Ca 0.13 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1lwm h SER 41 Cb 0.29 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1lwm h SER 41 CO -0.02 1.21 -0.12 -0.62 -0.87 0.00 0.00 176.83 176.41 1lwm n GLU 42 N -3.62 0.09 -3.17 4.77 1.02 -0.10 -4.10 120.64 115.53 1lwm n GLU 42 Ca -0.06 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.86 1lwm n GLU 42 Cb 0.91 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.79 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 1.19 0.00 1.62 0.23 0.19 -4.92 115.26 112.13 1lwm n ASN 43 Ca 0.08 -3.05 0.08 0.00 -0.53 0.00 0.00 54.58 51.15 1lwm n ASN 43 Cb 0.33 -0.62 0.45 0.00 -2.08 0.00 0.00 39.78 37.86 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1lwm n PRO 44 N 0.35 0.62 0.00 -0.53 -0.04 -1.10 -2.14 135.00 132.15 1lwm n PRO 44 Ca 0.25 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1lwm n PRO 44 Cb 0.61 -1.38 0.04 0.00 -0.04 0.00 0.00 33.50 32.74 1lwm n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lwm n ASP 45 N -0.88 2.10 0.00 3.54 8.00 -1.26 -4.99 116.55 123.06 1lwm n ASP 45 Ca 0.11 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1lwm n ASP 45 Cb 0.05 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1lwm n ASP 45 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1lwm n ILE 46 N 0.56 0.00 -3.47 0.53 -5.35 -0.91 -5.17 119.36 105.55 1lwm n ILE 46 Ca 0.08 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.56 1lwm n ILE 46 Cb 0.38 -0.35 -0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 0.29 7.28 -2.24 -1.26 -5.02 114.28 113.33 1lwm n THR 47 Ca 0.00 -0.09 0.17 0.00 -2.27 0.00 0.00 64.05 61.86 1lwm n THR 47 Cb 0.00 0.06 0.89 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.06 0.00 0.00 4.78 3.04 -1.98 -0.98 116.94 122.85 1lwm h PHE 48 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1lwm h PHE 48 Cb 0.07 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1lwm h PHE 48 CO 0.00 0.05 0.00 0.41 -2.02 0.00 0.00 178.31 176.75 1lwm n GLY 49 N -0.71 -0.98 0.00 2.40 0.00 -1.26 -2.23 105.19 102.41 1lwm n GLY 49 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1lwm n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lwm n GLN 50 N -2.18 2.15 0.10 1.61 3.00 -0.77 -4.56 117.38 116.73 1lwm n GLN 50 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1lwm n GLN 50 Cb 0.10 -0.88 -0.08 0.00 0.00 0.00 0.00 30.24 29.37 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 0.91 -0.11 5.09 2.07 -1.05 -0.62 116.25 122.54 1lwm h VAL 51 Ca 0.00 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1lwm h VAL 51 Cb 0.34 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1lwm h VAL 51 CO 0.00 0.15 -0.14 1.23 0.02 0.00 0.00 177.57 178.83 1lwm h GLY 52 N -0.60 0.19 2.00 2.17 0.00 -1.71 -1.56 103.07 103.55 1lwm h GLY 52 Ca -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1lwm h GLY 52 CO 0.04 0.11 -0.25 0.50 0.00 0.00 0.00 176.54 176.94 1lwm h LYS 53 N 0.17 0.00 0.04 4.80 1.79 -1.74 -1.62 116.57 120.02 1lwm h LYS 53 Ca 0.03 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.22 1lwm h LYS 53 Cb 0.36 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1lwm h LYS 53 CO 0.02 0.25 -1.12 0.87 -1.08 0.00 0.00 179.45 178.39 1lwm h LYS 54 N 0.00 0.68 0.00 3.15 1.57 -0.13 -2.07 116.57 119.77 1lwm h LYS 54 Ca -0.00 -0.79 -0.06 0.00 -1.87 0.00 0.00 60.65 57.92 1lwm h LYS 54 Cb 0.94 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1lwm h LYS 54 CO 0.03 1.35 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.89 1lwm h LEU 55 N 0.36 0.00 0.06 2.94 3.38 -1.35 -2.18 115.31 118.51 1lwm h LEU 55 Ca -0.15 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.55 1lwm h LEU 55 Cb 1.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.54 1lwm h LEU 55 CO 0.22 0.30 -1.19 1.23 0.09 0.00 0.00 178.44 179.09 1lwm h GLY 56 N 2.86 0.42 1.54 0.83 0.00 -1.27 -1.86 103.07 105.59 1lwm h GLY 56 Ca -0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 47.33 46.13 1lwm h GLY 56 CO 0.04 0.83 -1.08 0.83 0.00 0.00 0.00 176.54 177.16 1lwm h GLU 57 N 0.14 0.39 -0.09 4.80 5.08 -1.36 -1.22 114.58 122.31 1lwm h GLU 57 Ca -0.14 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.61 1lwm h GLU 57 Cb 1.88 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1lwm h GLU 57 CO 0.20 1.18 -0.38 0.87 -1.00 0.00 0.00 179.01 179.88 1lwm h LYS 58 N 0.18 0.42 -0.23 2.33 6.56 -1.49 -2.39 116.57 121.96 1lwm h LYS 58 Ca -0.11 -0.33 -0.06 0.00 -1.06 0.00 0.00 60.65 59.09 1lwm h LYS 58 Cb 1.75 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.47 1lwm h LYS 58 CO 0.19 0.96 -0.10 2.35 -2.06 0.00 0.00 179.45 180.78 1lwm h TRP 59 N -0.02 0.54 -0.94 -1.35 2.91 -1.43 0.18 115.95 115.83 1lwm h TRP 59 Ca -0.02 -0.13 0.07 0.00 1.13 0.00 0.00 58.89 59.94 1lwm h TRP 59 Cb 1.02 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 29.48 1lwm h TRP 59 CO 0.12 0.74 0.61 1.57 -1.03 0.00 0.00 178.44 180.44 1lwm h LYS 60 N 0.18 1.03 -0.00 2.65 2.10 -1.29 0.10 116.57 121.35 1lwm h LYS 60 Ca 0.05 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1lwm h LYS 60 Cb 0.59 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1lwm h LYS 60 CO 0.03 0.68 -0.29 0.00 -2.00 0.00 0.00 179.45 177.87 1lwm n ALA 61 N -2.38 3.06 -1.77 0.07 0.00 -0.90 -4.89 120.51 113.70 1lwm n ALA 61 Ca 0.15 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 1lwm n ALA 61 Cb 0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.92 4.12 0.30 0.00 0.05 0.61 -5.02 118.68 115.83 1lwm s LEU 62 Ca 0.14 2.36 -0.17 0.00 0.05 0.00 0.00 54.13 56.51 1lwm s LEU 62 Cb 0.18 -4.10 -0.09 0.00 -2.05 0.00 0.00 46.19 40.14 1lwm s LEU 62 CO 0.61 -0.78 0.75 0.28 -0.55 0.00 0.00 176.35 176.66 1lwm s THR 63 N -1.45 4.62 0.64 5.48 -1.32 -1.26 -4.95 115.64 117.39 1lwm s THR 63 Ca 0.60 1.11 0.34 0.00 -1.21 0.00 0.00 61.69 62.53 1lwm s THR 63 Cb -0.30 -3.70 0.37 0.00 -1.51 0.00 0.00 72.50 67.36 1lwm s THR 63 CO 0.38 -0.06 2.13 -0.65 -2.21 0.00 0.00 174.62 174.21 1lwm h PRO 64 N 2.63 0.00 -0.52 7.08 0.11 -1.96 -1.05 132.00 138.29 1lwm h PRO 64 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1lwm h PRO 64 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1lwm h PRO 64 CO 0.65 0.00 0.28 0.93 -0.21 0.00 0.00 178.00 179.65 1lwm h GLU 65 N 0.00 0.71 0.00 1.05 5.08 -2.01 0.13 114.58 119.55 1lwm h GLU 65 Ca 0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1lwm h GLU 65 Cb 0.39 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1lwm h GLU 65 CO -0.00 0.53 -1.69 0.39 -1.00 0.00 0.00 179.01 177.24 1lwm n GLU 66 N -4.40 0.64 0.14 2.33 -0.58 -0.45 -4.08 120.64 114.23 1lwm n GLU 66 Ca 0.05 -0.05 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1lwm n GLU 66 Cb 0.10 -1.63 0.28 0.00 -0.57 0.00 0.00 31.44 29.62 1lwm n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1lwm h LYS 67 N 0.00 0.00 -0.91 3.49 3.64 -1.00 -3.37 116.57 118.43 1lwm h LYS 67 Ca -0.06 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.45 1lwm h LYS 67 Cb 1.15 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.83 1lwm h LYS 67 CO 0.01 0.00 -0.39 1.04 -2.27 0.00 0.00 179.45 177.84 1lwm n GLN 68 N -2.54 -0.25 -0.32 1.90 6.02 0.42 0.24 117.38 122.86 1lwm n GLN 68 Ca 0.05 1.39 -0.05 0.00 -0.01 0.00 0.00 57.00 58.38 1lwm n GLN 68 Cb 0.47 -2.06 0.08 0.00 1.02 0.00 0.00 30.24 29.75 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1lwm h PRO 69 N 0.00 1.23 0.00 -1.09 0.11 -1.88 -0.95 132.00 129.43 1lwm h PRO 69 Ca 0.28 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1lwm h PRO 69 Cb 0.51 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1lwm h PRO 69 CO -0.89 0.94 0.00 0.66 -0.21 0.00 0.00 178.00 178.50 1lwm n TYR 70 N -4.31 0.00 -0.24 0.65 4.01 0.14 -1.14 117.16 116.27 1lwm n TYR 70 Ca 0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.85 1lwm n TYR 70 Cb 0.13 -0.36 0.12 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.07 -0.58 -0.72 4.81 -1.01 0.46 114.58 117.61 1lwm h GLU 71 Ca 0.00 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1lwm h GLU 71 Cb 0.00 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1lwm h GLU 71 CO 0.00 0.04 0.39 0.00 -0.73 0.00 0.00 179.01 178.71 1lwm h ALA 72 N 1.68 1.71 0.00 2.92 0.00 -1.27 -0.05 119.26 124.24 1lwm h ALA 72 Ca 0.37 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1lwm h ALA 72 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1lwm h ALA 72 CO -0.66 0.22 -0.50 -0.22 0.00 0.00 0.00 179.25 178.10 1lwm h LYS 73 N 0.67 0.00 0.00 0.00 3.64 0.14 -2.17 116.57 118.85 1lwm h LYS 73 Ca 0.23 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 1lwm h LYS 73 Cb 0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1lwm h LYS 73 CO -0.06 0.50 -0.60 0.00 -2.27 0.00 0.00 179.45 177.02 1lwm h ALA 74 N 1.50 0.88 0.02 5.00 0.00 0.83 -0.79 119.26 126.69 1lwm h ALA 74 Ca -0.01 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 1lwm h ALA 74 Cb 0.95 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1lwm h ALA 74 CO 0.07 0.75 -0.99 1.96 0.00 0.00 0.00 179.25 181.03 1lwm h GLN 75 N 0.00 0.43 -0.03 0.00 7.50 -1.00 0.15 115.11 122.15 1lwm h GLN 75 Ca -0.01 -0.48 -0.17 0.00 0.50 0.00 0.00 58.65 58.49 1lwm h GLN 75 Cb 1.15 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.81 1lwm h GLN 75 CO 0.08 1.15 -0.73 0.00 -1.50 0.00 0.00 178.83 177.82 1lwm h ALA 76 N 0.68 0.71 0.00 3.87 0.00 -1.31 -2.16 119.26 121.05 1lwm h ALA 76 Ca -0.09 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 1lwm h ALA 76 Cb 1.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1lwm h ALA 76 CO 0.17 0.82 -0.70 -0.44 0.00 0.00 0.00 179.25 179.11 1lwm h ASP 77 N 0.13 0.00 0.70 0.00 3.32 -1.14 -2.52 116.42 116.90 1lwm h ASP 77 Ca -0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 1lwm h ASP 77 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1lwm h ASP 77 CO 0.11 0.49 -0.67 0.50 -1.72 0.00 0.00 179.24 177.95 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.64 -0.56 -2.00 116.57 121.21 1lwm h LYS 78 Ca -0.04 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1lwm h LYS 78 Cb 1.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1lwm h LYS 78 CO 0.06 0.67 -1.01 -0.22 -2.27 0.00 0.00 179.45 176.68 1lwm h LYS 79 N 0.00 0.00 -0.04 1.90 3.64 -1.40 -2.33 116.57 118.34 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1lwm h LYS 79 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1lwm h LYS 79 CO 0.09 0.54 -0.83 0.00 -2.27 0.00 0.00 179.45 176.98 1lwm h ARG 80 N 0.00 0.39 0.18 1.90 3.08 -1.34 0.14 114.38 118.74 1lwm h ARG 80 Ca -0.08 -0.37 -0.31 0.00 0.07 0.00 0.00 59.98 59.29 1lwm h ARG 80 Cb 1.59 0.09 0.02 0.00 0.08 0.00 0.00 29.97 31.75 1lwm h ARG 80 CO 0.07 1.03 -1.42 -0.92 -1.07 0.00 0.00 179.97 177.66 1lwm h TYR 81 N 0.25 0.69 0.00 3.04 3.20 -1.45 -2.69 116.97 120.01 1lwm h TYR 81 Ca -0.05 -0.50 -0.07 0.00 3.14 0.00 0.00 58.73 61.25 1lwm h TYR 81 Cb 1.43 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1lwm h TYR 81 CO 0.05 1.43 -0.33 1.05 -1.64 0.00 0.00 178.16 178.72 1lwm h GLU 82 N 0.10 0.00 0.03 1.82 -0.00 -1.47 -2.42 114.58 112.64 1lwm h GLU 82 Ca -0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.04 1lwm h GLU 82 Cb 2.07 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.82 1lwm h GLU 82 CO 0.22 0.33 -0.42 0.77 -0.00 0.00 0.00 179.01 179.91 1lwm h SER 83 N 0.00 0.32 -0.52 3.06 0.02 -0.77 -1.90 113.55 113.75 1lwm h SER 83 Ca -0.00 -0.83 -0.10 0.00 -0.84 0.00 0.00 61.79 60.01 1lwm h SER 83 Cb 1.21 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1lwm h SER 83 CO 0.04 1.12 -0.08 -0.33 -1.14 0.00 0.00 176.83 176.44 1lwm h GLU 84 N -0.44 0.98 -0.58 3.45 5.08 -1.55 -2.34 114.58 119.18 1lwm h GLU 84 Ca -0.06 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1lwm h GLU 84 Cb 1.21 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1lwm h GLU 84 CO 0.08 1.03 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.85 1lwm h LYS 85 N 0.85 1.06 -0.35 2.33 3.11 -1.53 -2.19 116.57 119.85 1lwm h LYS 85 Ca 0.14 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1lwm h LYS 85 Cb 0.64 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.77 1lwm h LYS 85 CO 0.04 1.06 0.22 0.93 -2.81 0.00 0.00 179.45 178.90 1lwm h GLU 86 N 0.95 0.47 -0.88 1.90 5.08 -1.20 -2.14 114.58 118.76 1lwm h GLU 86 Ca 0.16 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1lwm h GLU 86 Cb 0.61 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1lwm h GLU 86 CO 0.04 0.34 0.46 -0.07 -1.00 0.00 0.00 179.01 178.77 1lwm h LEU 87 N 0.47 1.13 0.10 1.33 4.07 -1.32 -1.91 115.31 119.18 1lwm h LEU 87 Ca 0.13 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1lwm h LEU 87 Cb -0.02 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 1lwm h LEU 87 CO -0.03 0.92 -0.16 0.22 -1.08 0.00 0.00 178.44 178.32 1lwm h TYR 88 N 1.25 -0.41 -0.33 1.13 3.20 -0.97 0.19 116.97 121.03 1lwm h TYR 88 Ca 0.31 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1lwm h TYR 88 Cb 0.07 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1lwm h TYR 88 CO 0.01 -0.24 0.17 -2.95 -1.64 0.00 0.00 178.16 173.51 1lwm h ASN 89 N -0.32 0.39 1.68 -2.11 -1.07 -1.22 -0.02 115.58 112.92 1lwm h ASN 89 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1lwm h ASN 89 Cb 0.33 -0.10 -0.00 0.00 -2.07 0.00 0.00 38.32 36.48 1lwm h ASN 89 CO -0.08 0.33 -0.03 0.00 0.07 0.00 0.00 177.43 177.71 1lwm h ALA 90 N 1.74 0.99 0.00 4.14 0.00 -0.64 -2.04 119.26 123.44 1lwm h ALA 90 Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1lwm h ALA 90 Cb 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1lwm h ALA 90 CO -0.02 0.04 -1.24 1.79 0.00 0.00 0.00 179.25 179.82 1lwm h THR 91 N 0.00 0.30 0.09 0.00 1.35 0.84 -3.36 112.91 112.14 1lwm h THR 91 Ca -0.00 -1.60 -0.32 0.00 -0.55 0.00 0.00 66.41 63.95 1lwm h THR 91 Cb 0.88 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 1lwm h THR 91 CO 0.00 0.17 -1.68 0.25 -0.25 0.00 0.00 175.52 174.01 1lwm h LEU 92 N 0.00 0.31 0.00 3.87 6.46 -1.01 -3.51 115.31 121.43 1lwm h LEU 92 Ca -0.10 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 1lwm h LEU 92 Cb 1.35 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1lwm h LEU 92 CO 0.03 1.46 0.00 0.00 -0.62 0.00 0.00 178.44 179.30