#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 -1.41 -3.16 2.03 0.31 -1.26 -4.98 118.33 109.86 1lwm n VAL 2 Ca 0.00 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.44 1lwm n VAL 2 Cb 0.00 -2.46 -0.05 0.00 -0.91 0.00 0.00 33.84 30.42 1lwm n VAL 2 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1lwm s THR 3 N -0.54 -0.34 0.73 2.52 -4.23 -1.26 -5.15 115.64 107.37 1lwm s THR 3 Ca 0.00 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1lwm s THR 3 Cb 0.00 -0.63 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 1lwm s THR 3 CO 0.00 -0.60 0.61 -2.65 -0.54 0.00 0.00 174.62 171.44 1lwm n PRO 4 N 3.30 0.32 0.00 3.99 -0.02 -1.26 -5.01 135.00 136.32 1lwm n PRO 4 Ca 0.20 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1lwm n PRO 4 Cb 0.50 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1lwm n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lwm n ARG 5 N -1.00 0.00 -1.65 -0.52 3.00 -1.26 -4.85 116.66 110.38 1lwm n ARG 5 Ca 0.11 0.00 -0.49 0.00 -0.01 0.00 0.00 57.85 57.46 1lwm n ARG 5 Cb 0.50 -0.10 -0.05 0.00 0.00 0.00 0.00 32.46 32.81 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1lwm n GLU 6 N -0.10 1.82 -0.27 5.56 4.07 -1.26 -4.97 120.64 125.50 1lwm n GLU 6 Ca 0.00 0.66 -0.07 0.00 -0.06 0.00 0.00 57.16 57.69 1lwm n GLU 6 Cb 0.00 -2.40 0.06 0.00 -0.06 0.00 0.00 31.44 29.04 1lwm n GLU 6 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1lwm n PRO 7 N 3.64 -1.48 -0.00 5.31 -0.04 -1.26 -5.01 135.00 136.15 1lwm n PRO 7 Ca 0.18 -0.43 0.04 0.00 -0.04 0.00 0.00 63.50 63.25 1lwm n PRO 7 Cb 0.25 -0.40 -0.06 0.00 -0.04 0.00 0.00 33.50 33.26 1lwm n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1lwm n LYS 8 N -2.30 1.81 -0.77 0.54 4.81 -1.26 -5.04 118.16 115.94 1lwm n LYS 8 Ca 0.04 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1lwm n LYS 8 Cb 0.14 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.12 1lwm n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1lwm n LYS 9 N -1.56 3.12 -3.82 1.64 5.02 -1.26 -4.86 118.16 116.43 1lwm n LYS 9 Ca -0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1lwm n LYS 9 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.20 1lwm n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lwm n ARG 10 N 0.00 -4.31 -0.31 1.97 5.12 -1.26 -4.86 116.66 113.01 1lwm n ARG 10 Ca 0.00 0.53 -0.01 0.00 -1.93 0.00 0.00 57.85 56.44 1lwm n ARG 10 Cb 0.00 -4.96 0.12 0.00 -1.16 0.00 0.00 32.46 26.46 1lwm n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lwm h THR 11 N -1.86 1.10 -0.07 0.55 1.03 -1.99 -3.42 112.91 108.25 1lwm h THR 11 Ca -0.62 -0.35 -0.67 0.00 -0.01 0.00 0.00 66.41 64.77 1lwm h THR 11 Cb 1.37 -0.01 -0.06 0.00 -1.07 0.00 0.00 68.15 68.39 1lwm h THR 11 CO 0.60 0.19 1.48 1.07 -0.01 0.00 0.00 175.52 178.85 1lwm n THR 12 N -4.58 0.01 -3.80 0.00 5.66 -1.26 -4.89 114.28 105.42 1lwm n THR 12 Ca 0.11 -0.02 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 1lwm n THR 12 Cb 0.12 -0.59 -0.14 0.00 -1.55 0.00 0.00 70.33 68.17 1lwm n THR 12 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1lwm s ARG 13 N 7.10 0.06 0.67 1.09 3.52 -1.26 -5.16 118.95 124.96 1lwm s ARG 13 Ca 1.25 0.20 0.01 0.00 -0.13 0.00 0.00 55.73 57.07 1lwm s ARG 13 Cb -1.37 -0.10 0.13 0.00 -1.56 0.00 0.00 34.95 32.06 1lwm s ARG 13 CO 0.59 -0.10 0.92 1.63 -0.81 0.00 0.00 175.30 177.53 1lwm n LYS 14 N 3.67 0.04 -3.72 5.12 5.02 -1.26 -5.13 118.16 121.91 1lwm n LYS 14 Ca -0.20 -2.66 -0.12 0.00 -2.02 0.00 0.00 58.31 53.30 1lwm n LYS 14 Cb 0.55 -0.56 -0.13 0.00 -0.02 0.00 0.00 35.03 34.87 1lwm n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1lwm s LYS 15 N -4.90 0.22 0.00 1.97 1.02 -1.26 -5.05 119.74 111.74 1lwm s LYS 15 Ca 0.62 0.59 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1lwm s LYS 15 Cb -0.04 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1lwm s LYS 15 CO 0.41 -0.18 0.00 1.17 -0.92 0.00 0.00 175.35 175.83 1lwm n LYS 16 N 4.37 0.00 -3.78 1.68 3.00 -1.26 -5.14 118.16 117.04 1lwm n LYS 16 Ca -0.23 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.95 1lwm n LYS 16 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.41 1lwm n LYS 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1lwm s ASP 17 N -1.10 -0.07 1.11 3.14 2.15 -1.26 -5.16 116.67 115.48 1lwm s ASP 17 Ca 0.00 0.22 -0.16 0.00 0.43 0.00 0.00 52.55 53.04 1lwm s ASP 17 Cb 0.00 0.14 0.19 0.00 -0.30 0.00 0.00 42.92 42.95 1lwm s ASP 17 CO 0.00 -0.11 0.33 -2.65 -0.17 0.00 0.00 175.17 172.56 1lwm n PRO 18 N 3.89 -2.49 -1.53 4.34 -0.02 -1.26 -4.64 135.00 133.29 1lwm n PRO 18 Ca -0.23 -0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 60.18 1lwm n PRO 18 Cb 0.53 -1.61 -0.08 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.09 1.46 -4.90 2.55 3.02 -1.26 -4.91 115.26 109.12 1lwm n ASN 19 Ca 0.05 -0.44 -0.27 0.00 -0.03 0.00 0.00 54.58 53.89 1lwm n ASN 19 Cb 0.46 -1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 38.25 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lwm s ALA 20 N 10.93 3.88 0.93 5.41 0.00 -1.26 -4.60 121.76 137.05 1lwm s ALA 20 Ca 1.10 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1lwm s ALA 20 Cb -0.51 -1.69 0.15 0.00 0.00 0.00 0.00 23.12 21.06 1lwm s ALA 20 CO 0.32 0.59 1.09 -1.25 0.00 0.00 0.00 175.76 176.52 1lwm s PRO 21 N -3.04 1.02 -0.07 0.00 0.04 -1.26 -4.88 135.00 126.81 1lwm s PRO 21 Ca 0.34 0.70 0.17 0.00 0.04 0.00 0.00 61.00 62.24 1lwm s PRO 21 Cb -0.11 -1.79 0.33 0.00 0.04 0.00 0.00 34.50 32.97 1lwm s PRO 21 CO 0.27 -2.38 1.15 1.17 0.04 0.00 0.00 177.00 177.25 1lwm n LYS 22 N -3.96 0.52 -3.01 4.56 3.00 -1.26 -5.05 118.16 112.97 1lwm n LYS 22 Ca 0.06 -2.19 -0.01 0.00 -0.00 0.00 0.00 58.31 56.17 1lwm n LYS 22 Cb 0.56 -0.65 -0.01 0.00 0.00 0.00 0.00 35.03 34.93 1lwm n LYS 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1lwm n ARG 23 N -0.19 -1.77 -1.93 1.64 0.63 -1.26 -4.97 116.66 108.81 1lwm n ARG 23 Ca 0.09 1.57 -0.29 0.00 -0.92 0.00 0.00 57.85 58.31 1lwm n ARG 23 Cb 0.90 -1.55 0.20 0.00 0.45 0.00 0.00 32.46 32.46 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 2.30 -1.44 -2.40 5.13 0.00 -1.26 -5.07 120.51 117.76 1lwm n ALA 24 Ca -0.07 -1.74 -0.14 0.00 0.00 0.00 0.00 53.44 51.50 1lwm n ALA 24 Cb 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 1.17 0.53 0.00 1.43 -1.26 -5.01 118.68 115.53 1lwm s LEU 25 Ca 0.75 -1.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1lwm s LEU 25 Cb -0.02 0.69 0.03 0.00 0.03 0.00 0.00 46.19 46.92 1lwm s LEU 25 CO 0.52 -0.97 0.74 -0.44 0.23 0.00 0.00 176.35 176.43 1lwm s SER 26 N -3.20 5.35 0.60 2.29 0.01 -1.26 -4.59 113.70 112.91 1lwm s SER 26 Ca 0.37 -0.08 0.29 0.00 1.31 0.00 0.00 55.95 57.83 1lwm s SER 26 Cb 0.04 -0.84 1.54 0.00 0.21 0.00 0.00 66.02 66.97 1lwm s SER 26 CO 0.16 -1.07 1.94 0.00 0.41 0.00 0.00 173.24 174.68 1lwm h ALA 27 N 0.18 1.95 0.09 1.44 0.00 -1.85 0.22 119.26 121.29 1lwm h ALA 27 Ca -0.42 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1lwm h ALA 27 Cb 1.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1lwm h ALA 27 CO 0.51 -0.57 -1.15 -0.92 0.00 0.00 0.00 179.25 177.12 1lwm h TYR 28 N 0.00 0.57 -0.16 0.00 3.20 -1.93 -2.64 116.97 116.02 1lwm h TYR 28 Ca 0.15 -0.38 -0.11 0.00 3.14 0.00 0.00 58.73 61.53 1lwm h TYR 28 Cb 0.95 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1lwm h TYR 28 CO 0.00 1.25 -0.38 0.52 -1.64 0.00 0.00 178.16 177.91 1lwm h MET 29 N 0.13 0.34 0.27 1.82 2.86 -0.93 0.22 114.93 119.64 1lwm h MET 29 Ca -0.12 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1lwm h MET 29 Cb 1.85 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1lwm h MET 29 CO 0.19 0.67 -0.13 0.74 1.06 0.00 0.00 176.91 179.45 1lwm h PHE 30 N 0.29 -0.34 0.00 -0.22 0.04 -1.45 0.08 116.94 115.34 1lwm h PHE 30 Ca 0.03 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1lwm h PHE 30 Cb 0.80 0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 1lwm h PHE 30 CO 0.02 -0.03 -0.03 0.35 -0.60 0.00 0.00 178.31 178.02 1lwm h PHE 31 N -0.99 0.00 0.08 -0.55 3.04 -1.51 -2.22 116.94 114.80 1lwm h PHE 31 Ca -0.04 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.62 1lwm h PHE 31 Cb 0.46 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 1lwm h PHE 31 CO 0.04 0.03 -1.47 0.00 -2.02 0.00 0.00 178.31 174.90 1lwm h ALA 32 N 1.97 0.35 -0.01 2.41 0.00 -0.56 -1.30 119.26 122.13 1lwm h ALA 32 Ca -0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 54.91 53.69 1lwm h ALA 32 Cb 0.27 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1lwm h ALA 32 CO 0.00 1.22 -0.46 -0.91 0.00 0.00 0.00 179.25 179.11 1lwm h ASN 33 N 0.05 0.01 0.07 0.00 -0.26 -0.38 0.11 115.58 115.17 1lwm h ASN 33 Ca -0.21 -0.01 -0.31 0.00 -0.56 0.00 0.00 56.30 55.21 1lwm h ASN 33 Cb 1.97 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.20 1lwm h ASN 33 CO 0.14 0.47 -1.72 -0.62 -1.06 0.00 0.00 177.43 174.65 1lwm n GLU 34 N -3.99 0.67 0.08 0.81 1.02 -0.96 -4.09 120.64 114.18 1lwm n GLU 34 Ca -0.02 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.63 1lwm n GLU 34 Cb 0.48 -1.72 0.45 0.00 -0.02 0.00 0.00 31.44 30.64 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 -3.90 0.49 0.14 1.62 5.03 -0.49 -2.43 115.26 115.72 1lwm n ASN 35 Ca -0.33 0.59 0.01 0.00 0.87 0.00 0.00 54.58 55.72 1lwm n ASN 35 Cb 0.89 -0.70 0.14 0.00 -1.02 0.00 0.00 39.78 39.09 1lwm n ASN 35 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1lwm h ARG 36 N 0.00 0.00 0.13 3.52 1.12 -0.93 -2.19 114.38 116.02 1lwm h ARG 36 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.51 1lwm h ARG 36 Cb 0.45 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1lwm h ARG 36 CO 0.00 0.57 -1.98 -3.47 -3.11 0.00 0.00 179.97 171.98 1lwm n ASP 37 N -3.47 2.13 -0.19 -3.80 2.03 -1.03 -1.88 116.55 110.34 1lwm n ASP 37 Ca 0.00 0.22 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 1lwm n ASP 37 Cb 0.67 -0.88 0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.05 1.21 0.14 5.18 2.04 -1.55 0.19 117.51 124.78 1lwm h ILE 38 Ca -0.42 -0.63 -0.30 0.00 1.00 0.00 0.00 64.86 64.51 1lwm h ILE 38 Cb 2.02 0.60 0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1lwm h ILE 38 CO 0.09 0.25 -1.27 0.58 0.00 0.00 0.00 178.15 177.79 1lwm h VAL 39 N 0.75 1.31 -0.10 1.67 2.07 -1.56 -2.60 116.25 117.78 1lwm h VAL 39 Ca 0.19 -2.56 0.02 0.00 0.82 0.00 0.00 66.70 65.17 1lwm h VAL 39 Cb 0.16 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1lwm h VAL 39 CO -0.02 0.77 0.07 -0.09 0.02 0.00 0.00 177.57 178.33 1lwm h ARG 40 N 0.23 0.06 0.07 1.57 2.43 -1.23 0.54 114.38 118.05 1lwm h ARG 40 Ca -0.19 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.73 1lwm h ARG 40 Cb 1.95 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 1lwm h ARG 40 CO 0.24 0.04 -1.13 0.77 -1.51 0.00 0.00 179.97 178.38 1lwm h SER 41 N 0.06 0.24 0.83 -3.80 0.02 -0.95 -3.08 113.55 106.88 1lwm h SER 41 Ca 0.05 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1lwm h SER 41 Cb 0.10 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1lwm h SER 41 CO -0.01 1.19 -0.17 -0.62 -1.14 0.00 0.00 176.83 176.09 1lwm n GLU 42 N -3.46 0.00 -3.05 3.45 1.02 -0.25 -4.08 120.64 114.28 1lwm n GLU 42 Ca -0.05 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.89 1lwm n GLU 42 Cb 0.98 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.51 2.03 0.00 1.62 0.23 0.17 -4.89 115.26 112.91 1lwm n ASN 43 Ca 0.06 -3.20 0.09 0.00 -0.53 0.00 0.00 54.58 51.01 1lwm n ASN 43 Cb 0.34 -0.59 0.53 0.00 -2.08 0.00 0.00 39.78 37.98 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 0.08 0.66 0.02 -0.53 -0.04 -1.17 -2.55 135.00 131.46 1lwm n PRO 44 Ca 0.26 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1lwm n PRO 44 Cb 0.60 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 1lwm n PRO 44 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1lwm n ASP 45 N -0.92 0.63 -2.25 3.54 -0.08 -1.26 -4.96 116.55 111.25 1lwm n ASP 45 Ca 0.13 0.27 -0.02 0.00 -1.51 0.00 0.00 54.79 53.67 1lwm n ASP 45 Cb 0.06 0.54 0.00 0.00 2.34 0.00 0.00 41.12 44.06 1lwm n ASP 45 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1lwm n ILE 46 N -2.77 0.00 -3.73 5.18 -5.35 -1.06 -5.16 119.36 106.47 1lwm n ILE 46 Ca -0.11 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1lwm n ILE 46 Cb 0.82 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 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 -0.87 0.00 0.32 7.28 -2.24 -1.26 -5.01 114.28 112.51 1lwm n THR 47 Ca 0.01 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.00 1lwm n THR 47 Cb 0.05 0.00 1.07 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.73 0.00 0.00 4.78 3.57 -1.97 -1.62 116.94 122.43 1lwm h PHE 48 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1lwm h PHE 48 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1lwm h PHE 48 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1lwm n GLY 49 N -0.85 -0.90 0.00 2.40 0.00 -1.26 -2.08 105.19 102.50 1lwm n GLY 49 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.05 2.38 -0.03 1.61 3.00 -0.69 -4.57 117.38 117.03 1lwm n GLN 50 Ca -0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1lwm n GLN 50 Cb 0.08 -0.80 -0.10 0.00 0.00 0.00 0.00 30.24 29.42 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 1.46 0.00 5.09 2.07 -1.18 0.31 116.25 123.99 1lwm h VAL 51 Ca 0.00 -1.57 -0.12 0.00 0.82 0.00 0.00 66.70 65.83 1lwm h VAL 51 Cb 0.12 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1lwm h VAL 51 CO 0.00 0.43 -0.59 1.23 0.02 0.00 0.00 177.57 178.66 1lwm h GLY 52 N -0.37 0.00 1.53 2.17 0.00 -1.69 -1.88 103.07 102.83 1lwm h GLY 52 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1lwm h GLY 52 CO 0.03 0.00 -0.54 1.70 0.00 0.00 0.00 176.54 177.73 1lwm h LYS 53 N 0.00 0.00 0.07 4.80 3.11 -1.73 -1.84 116.57 120.98 1lwm h LYS 53 Ca -0.01 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.71 1lwm h LYS 53 Cb 1.09 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.33 1lwm h LYS 53 CO 0.08 0.06 -0.56 0.87 -2.81 0.00 0.00 179.45 177.08 1lwm h LYS 54 N 0.00 0.16 -0.16 1.90 1.79 -0.79 -2.10 116.57 117.36 1lwm h LYS 54 Ca -0.01 -0.27 -0.18 0.00 -2.18 0.00 0.00 60.65 58.02 1lwm h LYS 54 Cb 1.07 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1lwm h LYS 54 CO 0.01 1.13 -0.63 1.37 -1.08 0.00 0.00 179.45 180.25 1lwm h LEU 55 N -0.66 0.64 -0.59 2.94 8.10 -1.47 -2.15 115.31 122.13 1lwm h LEU 55 Ca -0.11 -0.37 -0.13 0.00 0.11 0.00 0.00 57.88 57.38 1lwm h LEU 55 Cb 1.37 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.40 1lwm h LEU 55 CO 0.06 1.10 -0.29 1.23 -4.11 0.00 0.00 178.44 176.44 1lwm h GLY 56 N 1.05 0.89 1.77 0.17 0.00 -1.45 -1.27 103.07 104.22 1lwm h GLY 56 Ca -0.01 -0.82 -0.12 0.00 0.00 0.00 0.00 47.33 46.39 1lwm h GLY 56 CO 0.12 0.74 -0.47 1.05 0.00 0.00 0.00 176.54 177.98 1lwm h GLU 57 N 0.70 0.25 -0.22 4.80 4.11 -1.34 -1.56 114.58 121.31 1lwm h GLU 57 Ca 0.08 -0.13 -0.18 0.00 0.07 0.00 0.00 59.36 59.20 1lwm h GLU 57 Cb 0.83 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1lwm h GLU 57 CO 0.07 0.67 -0.58 -0.22 0.07 0.00 0.00 179.01 179.03 1lwm h LYS 58 N 0.20 0.71 -0.32 1.06 3.64 -1.19 -2.58 116.57 118.09 1lwm h LYS 58 Ca 0.01 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 1lwm h LYS 58 Cb 0.91 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1lwm h LYS 58 CO 0.07 1.09 -0.08 2.35 -2.27 0.00 0.00 179.45 180.61 1lwm h TRP 59 N 0.54 0.70 -0.65 1.91 2.91 -1.07 0.53 115.95 120.83 1lwm h TRP 59 Ca 0.00 -0.15 0.03 0.00 1.13 0.00 0.00 58.89 59.90 1lwm h TRP 59 Cb 1.16 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.60 1lwm h TRP 59 CO 0.06 0.80 0.43 1.57 -1.03 0.00 0.00 178.44 180.27 1lwm h LYS 60 N 0.40 0.78 -0.02 2.65 5.09 -1.27 -0.02 116.57 124.19 1lwm h LYS 60 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.77 1lwm h LYS 60 Cb 0.58 -0.18 0.00 0.00 0.10 0.00 0.00 32.23 32.73 1lwm h LYS 60 CO 0.03 0.52 -0.14 0.00 -2.09 0.00 0.00 179.45 177.77 1lwm n ALA 61 N -2.45 2.83 -2.35 0.07 0.00 -0.98 -4.88 120.51 112.76 1lwm n ALA 61 Ca 0.08 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1lwm n ALA 61 Cb 0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.19 3.93 -0.04 0.00 0.05 0.18 -4.91 118.68 115.70 1lwm s LEU 62 Ca 0.29 1.39 -0.30 0.00 0.05 0.00 0.00 54.13 55.55 1lwm s LEU 62 Cb 0.20 -3.54 -0.15 0.00 -2.05 0.00 0.00 46.19 40.65 1lwm s LEU 62 CO 0.41 -1.07 0.84 0.41 -0.55 0.00 0.00 176.35 176.39 1lwm n THR 63 N 6.12 0.00 0.27 5.48 -1.04 -1.26 -4.70 114.28 119.14 1lwm n THR 63 Ca 0.16 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.29 1lwm n THR 63 Cb 0.46 -0.04 0.61 0.00 -1.82 0.00 0.00 70.33 69.54 1lwm n THR 63 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1lwm h PRO 64 N 2.40 0.00 -0.18 -2.82 0.13 -1.93 -2.10 132.00 127.51 1lwm h PRO 64 Ca -0.37 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1lwm h PRO 64 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1lwm h PRO 64 CO 0.51 0.00 -0.27 0.93 -0.23 0.00 0.00 178.00 178.95 1lwm h GLU 65 N 0.00 0.33 0.00 0.86 4.39 -2.01 0.19 114.58 118.34 1lwm h GLU 65 Ca 0.00 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1lwm h GLU 65 Cb 0.16 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1lwm h GLU 65 CO 0.00 0.57 -1.70 -0.85 -1.16 0.00 0.00 179.01 175.88 1lwm n GLU 66 N -4.13 0.64 0.18 2.33 0.28 -0.83 -4.08 120.64 115.04 1lwm n GLU 66 Ca -0.01 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 1lwm n GLU 66 Cb 0.39 -1.66 0.15 0.00 1.43 0.00 0.00 31.44 31.75 1lwm n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1lwm h LYS 67 N 0.00 0.00 -0.99 3.44 3.64 -1.28 -3.35 116.57 118.03 1lwm h LYS 67 Ca -0.13 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1lwm h LYS 67 Cb 1.36 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.05 1lwm h LYS 67 CO 0.02 0.27 -0.55 1.96 -2.27 0.00 0.00 179.45 178.87 1lwm h GLN 68 N 0.00 -0.00 -0.97 1.90 4.20 -1.10 0.37 115.11 119.50 1lwm h GLN 68 Ca -0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.88 1lwm h GLN 68 Cb 1.14 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.81 1lwm h GLN 68 CO 0.03 -0.00 0.58 -1.35 -0.67 0.00 0.00 178.83 177.42 1lwm h PRO 69 N -0.00 0.73 0.93 1.46 0.11 -1.85 -1.63 132.00 131.75 1lwm h PRO 69 Ca 0.19 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1lwm h PRO 69 Cb 0.45 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.40 1lwm h PRO 69 CO -0.95 0.48 -0.45 1.88 -0.21 0.00 0.00 178.00 178.76 1lwm h TYR 70 N 0.75 -1.16 -1.00 0.65 -1.99 -0.52 -1.55 116.97 112.15 1lwm h TYR 70 Ca 0.55 -0.03 0.21 0.00 2.00 0.00 0.00 58.73 61.46 1lwm h TYR 70 Cb 0.82 0.38 -0.11 0.00 2.00 0.00 0.00 36.73 39.82 1lwm h TYR 70 CO -0.02 -0.72 0.61 1.49 -0.00 0.00 0.00 178.16 179.51 1lwm h GLU 71 N -1.28 0.67 -0.49 4.88 4.81 -0.93 0.28 114.58 122.52 1lwm h GLU 71 Ca -0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1lwm h GLU 71 Cb 0.96 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1lwm h GLU 71 CO 0.21 0.44 0.14 0.00 -0.73 0.00 0.00 179.01 179.07 1lwm h ALA 72 N 1.67 1.34 -0.19 2.92 0.00 -1.09 -1.43 119.26 122.49 1lwm h ALA 72 Ca 0.60 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 1lwm h ALA 72 Cb 1.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1lwm h ALA 72 CO -0.41 0.48 -0.47 -0.22 0.00 0.00 0.00 179.25 178.63 1lwm h LYS 73 N 0.70 0.48 0.00 0.00 1.63 0.55 -2.00 116.57 117.94 1lwm h LYS 73 Ca 0.16 -0.27 -0.09 0.00 -0.85 0.00 0.00 60.65 59.60 1lwm h LYS 73 Cb 0.23 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1lwm h LYS 73 CO -0.01 0.85 -0.44 0.00 -3.45 0.00 0.00 179.45 176.41 1lwm h ALA 74 N 1.10 1.19 -0.01 5.00 0.00 -0.63 -1.12 119.26 124.81 1lwm h ALA 74 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1lwm h ALA 74 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1lwm h ALA 74 CO 0.09 0.55 -0.86 0.37 0.00 0.00 0.00 179.25 179.39 1lwm h GLN 75 N 0.00 0.25 -0.06 0.00 5.75 -0.99 0.80 115.11 120.85 1lwm h GLN 75 Ca -0.00 -0.26 -0.17 0.00 -0.15 0.00 0.00 58.65 58.07 1lwm h GLN 75 Cb 0.81 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 1lwm h GLN 75 CO 0.06 0.97 -0.70 0.00 -2.65 0.00 0.00 178.83 176.50 1lwm h ALA 76 N 0.95 0.69 0.00 3.38 0.00 -1.05 -2.04 119.26 121.18 1lwm h ALA 76 Ca -0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1lwm h ALA 76 Cb 1.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1lwm h ALA 76 CO 0.14 0.77 -0.71 -0.44 0.00 0.00 0.00 179.25 179.00 1lwm h ASP 77 N 0.21 0.00 0.71 0.00 3.32 -1.18 -2.29 116.42 117.19 1lwm h ASP 77 Ca -0.02 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1lwm h ASP 77 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1lwm h ASP 77 CO 0.11 0.58 -0.61 0.50 -1.72 0.00 0.00 179.24 178.10 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.11 -0.70 -1.99 116.57 120.55 1lwm h LYS 78 Ca -0.03 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.64 1lwm h LYS 78 Cb 1.47 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.67 1lwm h LYS 78 CO 0.07 0.61 -1.13 0.87 -2.81 0.00 0.00 179.45 177.06 1lwm h LYS 79 N 0.00 0.00 -0.04 1.90 1.79 -1.37 -2.25 116.57 116.61 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 1.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1lwm h LYS 79 CO 0.08 0.47 -0.79 -0.09 -1.08 0.00 0.00 179.45 178.05 1lwm h ARG 80 N 0.00 0.31 0.13 3.15 2.43 -1.29 0.13 114.38 119.23 1lwm h ARG 80 Ca -0.11 -0.28 -0.31 0.00 -0.81 0.00 0.00 59.98 58.47 1lwm h ARG 80 Cb 1.61 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1lwm h ARG 80 CO 0.07 0.95 -1.58 -0.92 -1.51 0.00 0.00 179.97 176.98 1lwm h TYR 81 N 0.20 0.49 0.00 2.20 3.20 -1.46 -2.96 116.97 118.63 1lwm h TYR 81 Ca -0.04 -0.36 -0.07 0.00 3.14 0.00 0.00 58.73 61.41 1lwm h TYR 81 Cb 1.37 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 1lwm h TYR 81 CO 0.04 1.43 -0.31 1.05 -1.64 0.00 0.00 178.16 178.72 1lwm h GLU 82 N 0.07 0.00 0.02 1.82 -0.00 -1.45 -2.40 114.58 112.64 1lwm h GLU 82 Ca -0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.02 1lwm h GLU 82 Cb 2.03 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.79 1lwm h GLU 82 CO 0.16 0.31 -0.33 1.03 -0.00 0.00 0.00 179.01 180.19 1lwm h SER 83 N 0.00 0.25 -0.57 3.06 0.87 -0.83 -1.87 113.55 114.45 1lwm h SER 83 Ca -0.00 -0.84 -0.10 0.00 -1.23 0.00 0.00 61.79 59.61 1lwm h SER 83 Cb 1.19 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1lwm h SER 83 CO 0.04 1.07 -0.05 -0.08 -0.53 0.00 0.00 176.83 177.28 1lwm h GLU 84 N -0.54 1.04 -0.53 2.24 4.81 -1.59 -2.22 114.58 117.79 1lwm h GLU 84 Ca -0.05 -0.36 -0.11 0.00 -0.13 0.00 0.00 59.36 58.71 1lwm h GLU 84 Cb 1.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1lwm h GLU 84 CO 0.06 1.05 -0.11 -0.22 -0.73 0.00 0.00 179.01 179.06 1lwm h LYS 85 N 0.92 0.99 -0.76 1.92 3.11 -1.53 -2.19 116.57 119.04 1lwm h LYS 85 Ca 0.15 -0.37 -0.03 0.00 -2.81 0.00 0.00 60.65 57.60 1lwm h LYS 85 Cb 0.61 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.74 1lwm h LYS 85 CO 0.04 1.04 0.37 0.93 -2.81 0.00 0.00 179.45 179.03 1lwm h GLU 86 N 0.88 1.09 -0.59 1.90 4.39 -1.18 -1.91 114.58 119.17 1lwm h GLU 86 Ca 0.14 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1lwm h GLU 86 Cb 0.67 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1lwm h GLU 86 CO 0.05 0.84 0.01 -0.07 -1.16 0.00 0.00 179.01 178.68 1lwm h LEU 87 N 1.07 1.00 0.01 1.33 4.07 -1.25 -1.07 115.31 120.47 1lwm h LEU 87 Ca 0.26 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1lwm h LEU 87 Cb 0.11 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1lwm h LEU 87 CO -0.03 1.06 -0.00 0.22 -1.08 0.00 0.00 178.44 178.60 1lwm h TYR 88 N 0.92 -0.01 -0.04 1.13 3.20 -1.07 0.42 116.97 121.52 1lwm h TYR 88 Ca 0.17 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1lwm h TYR 88 Cb 0.54 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1lwm h TYR 88 CO 0.04 0.01 -0.26 -0.97 -1.64 0.00 0.00 178.16 175.34 1lwm h ASN 89 N -0.03 0.07 1.71 -2.11 -1.24 -1.30 0.24 115.58 112.92 1lwm h ASN 89 Ca -0.00 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1lwm h ASN 89 Cb 0.03 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1lwm h ASN 89 CO 0.00 0.33 -0.00 0.00 -1.29 0.00 0.00 177.43 176.47 1lwm h ALA 90 N 1.67 1.00 0.00 1.57 0.00 -0.70 -2.42 119.26 120.39 1lwm h ALA 90 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lwm h ALA 90 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1lwm h ALA 90 CO 0.04 0.00 -1.26 0.25 0.00 0.00 0.00 179.25 178.28 1lwm n THR 91 N -3.10 0.00 -0.10 0.00 -2.24 0.10 -4.53 114.28 104.41 1lwm n THR 91 Ca 0.03 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 1lwm n THR 91 Cb 0.46 0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 1lwm n THR 91 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1lwm h LEU 92 N 0.00 0.00 0.00 3.22 -0.00 -0.50 -3.50 115.31 114.53 1lwm h LEU 92 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 1lwm h LEU 92 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1lwm h LEU 92 CO 0.00 1.38 0.00 0.00 -0.00 0.00 0.00 178.44 179.82