#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 -0.01 -0.83 1.12 -7.23 -1.26 -5.11 120.40 107.09 1lwm s VAL 2 Ca 0.00 0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.14 1lwm s VAL 2 Cb 0.00 -0.64 0.21 0.00 0.56 0.00 0.00 36.38 36.51 1lwm s VAL 2 CO 0.00 0.01 0.71 -0.89 -0.31 0.00 0.00 175.10 174.62 1lwm s THR 3 N 0.55 4.53 0.25 5.32 2.01 -1.26 -5.07 115.64 121.97 1lwm s THR 3 Ca -0.03 -3.35 -0.30 0.00 0.31 0.00 0.00 61.69 58.33 1lwm s THR 3 Cb -0.04 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1lwm s THR 3 CO -0.03 -1.03 1.27 -2.16 -0.69 0.00 0.00 174.62 171.98 1lwm s PRO 4 N -0.74 4.42 0.00 4.92 0.04 -1.26 -4.93 135.00 137.46 1lwm s PRO 4 Ca 0.23 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.44 1lwm s PRO 4 Cb -0.12 -3.16 0.19 0.00 0.04 0.00 0.00 34.50 31.45 1lwm s PRO 4 CO -0.09 -0.15 1.02 0.54 0.04 0.00 0.00 177.00 178.36 1lwm n ARG 5 N 1.89 0.00 -0.03 4.56 5.12 -1.26 -4.92 116.66 122.02 1lwm n ARG 5 Ca 0.03 -1.35 -0.14 0.00 -1.93 0.00 0.00 57.85 54.46 1lwm n ARG 5 Cb 0.43 0.04 -0.10 0.00 -1.16 0.00 0.00 32.46 31.67 1lwm n ARG 5 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1lwm h GLU 6 N 0.45 0.24 -0.98 5.56 4.81 -2.01 -3.26 114.58 119.38 1lwm h GLU 6 Ca -0.25 -0.19 0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1lwm h GLU 6 Cb 1.59 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.91 1lwm h GLU 6 CO -0.03 0.83 0.61 -1.35 -0.73 0.00 0.00 179.01 178.35 1lwm h PRO 7 N -0.30 0.71 -4.10 0.92 0.11 -2.03 -3.46 132.00 123.84 1lwm h PRO 7 Ca -0.01 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1lwm h PRO 7 Cb 0.87 -0.16 0.09 0.00 0.11 0.00 0.00 31.00 31.92 1lwm h PRO 7 CO 0.05 0.47 -0.40 1.17 -0.21 0.00 0.00 178.00 179.07 1lwm n LYS 8 N -4.69 -1.31 -4.25 1.05 3.00 -1.23 -5.07 118.16 105.66 1lwm n LYS 8 Ca 0.22 0.41 -0.17 0.00 -0.00 0.00 0.00 58.31 58.76 1lwm n LYS 8 Cb 0.56 -3.61 -0.13 0.00 0.00 0.00 0.00 35.03 31.85 1lwm n LYS 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1lwm s LYS 9 N -3.77 0.70 0.48 1.64 -2.85 -1.26 -5.16 119.74 109.52 1lwm s LYS 9 Ca 0.19 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 1lwm s LYS 9 Cb -0.02 -0.64 -0.01 0.00 -2.06 0.00 0.00 37.83 35.09 1lwm s LYS 9 CO 0.35 0.16 0.06 0.50 0.10 0.00 0.00 175.35 176.52 1lwm s ARG 10 N -0.86 2.11 0.69 1.78 3.52 -1.26 -5.12 118.95 119.81 1lwm s ARG 10 Ca -0.01 -2.33 -0.17 0.00 -0.13 0.00 0.00 55.73 53.09 1lwm s ARG 10 Cb -0.06 -1.13 -0.04 0.00 -1.56 0.00 0.00 34.95 32.16 1lwm s ARG 10 CO 0.00 -0.44 0.62 2.41 -0.81 0.00 0.00 175.30 177.08 1lwm n THR 11 N -1.14 2.13 -3.78 4.11 -1.04 -1.26 -5.02 114.28 108.28 1lwm n THR 11 Ca -0.14 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.05 61.32 1lwm n THR 11 Cb 0.66 -0.80 -0.12 0.00 -1.82 0.00 0.00 70.33 68.24 1lwm n THR 11 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1lwm s THR 12 N -1.84 -0.01 -0.30 12.58 2.01 -1.26 -5.13 115.64 121.68 1lwm s THR 12 Ca 0.68 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1lwm s THR 12 Cb -0.37 -0.31 0.09 0.00 0.01 0.00 0.00 72.50 71.92 1lwm s THR 12 CO 0.56 0.02 0.03 -0.60 -0.69 0.00 0.00 174.62 173.93 1lwm s ARG 13 N 0.46 1.40 0.00 4.92 3.52 -1.26 -5.09 118.95 122.89 1lwm s ARG 13 Ca -0.03 -1.46 0.00 0.00 -0.13 0.00 0.00 55.73 54.11 1lwm s ARG 13 Cb -0.04 -2.77 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1lwm s ARG 13 CO -0.02 -0.85 0.00 1.63 -0.81 0.00 0.00 175.30 175.25 1lwm n LYS 14 N 4.49 0.60 -1.81 5.12 4.76 -1.26 -5.07 118.16 125.00 1lwm n LYS 14 Ca -0.02 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.04 1lwm n LYS 14 Cb 0.42 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.58 1lwm n LYS 14 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1lwm s LYS 15 N -1.60 2.40 -0.72 1.97 2.36 -1.26 -4.86 119.74 118.04 1lwm s LYS 15 Ca 0.00 1.02 -0.25 0.00 -2.55 0.00 0.00 55.97 54.19 1lwm s LYS 15 Cb 0.00 -4.48 -0.14 0.00 -1.05 0.00 0.00 37.83 32.16 1lwm s LYS 15 CO 0.00 -2.96 2.42 1.63 1.55 0.00 0.00 175.35 177.98 1lwm n LYS 16 N 9.08 0.64 -0.05 4.03 4.01 -1.26 -4.75 118.16 129.87 1lwm n LYS 16 Ca 0.28 -0.37 -0.19 0.00 -0.51 0.00 0.00 58.31 57.52 1lwm n LYS 16 Cb 0.53 -3.15 -0.13 0.00 -0.51 0.00 0.00 35.03 31.77 1lwm n LYS 16 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1lwm h ASP 17 N 15.14 0.15 -0.39 4.39 5.19 -1.99 -3.44 116.42 135.48 1lwm h ASP 17 Ca -0.09 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.50 1lwm h ASP 17 Cb 1.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1lwm h ASP 17 CO 1.16 1.34 0.00 -2.65 -3.12 0.00 0.00 179.24 175.97 1lwm n PRO 18 N -4.33 0.38 -1.26 3.56 -0.02 -1.26 -4.35 135.00 127.72 1lwm n PRO 18 Ca -0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.06 1lwm n PRO 18 Cb 0.68 0.00 -0.18 0.00 -0.02 0.00 0.00 33.50 33.98 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 -0.95 -3.91 2.55 5.03 -1.26 -4.83 115.26 110.73 1lwm n ASN 19 Ca 0.00 -0.34 -0.13 0.00 0.87 0.00 0.00 54.58 54.98 1lwm n ASN 19 Cb 0.00 -0.51 -0.14 0.00 -1.02 0.00 0.00 39.78 38.11 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lwm s ALA 20 N 1.46 0.15 0.71 5.41 0.00 -1.26 -4.26 121.76 123.97 1lwm s ALA 20 Ca 1.11 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1lwm s ALA 20 Cb -0.78 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1lwm s ALA 20 CO 0.47 0.02 1.10 -1.25 0.00 0.00 0.00 175.76 176.10 1lwm s PRO 21 N -0.15 2.56 -0.28 0.00 0.04 -1.26 -4.66 135.00 131.25 1lwm s PRO 21 Ca -0.00 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.38 1lwm s PRO 21 Cb -0.01 -1.93 0.46 0.00 0.04 0.00 0.00 34.50 33.06 1lwm s PRO 21 CO -0.00 -1.42 1.32 1.17 0.04 0.00 0.00 177.00 178.11 1lwm n LYS 22 N -2.97 2.25 -2.60 4.56 4.81 -1.26 -4.99 118.16 117.96 1lwm n LYS 22 Ca 0.10 -3.51 -0.05 0.00 -0.87 0.00 0.00 58.31 53.98 1lwm n LYS 22 Cb 0.53 -1.89 -0.04 0.00 0.02 0.00 0.00 35.03 33.65 1lwm n LYS 22 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1lwm n ARG 23 N -1.00 -4.50 -0.16 1.64 1.74 -1.26 -4.98 116.66 108.15 1lwm n ARG 23 Ca 0.32 3.38 -0.16 0.00 -0.77 0.00 0.00 57.85 60.62 1lwm n ARG 23 Cb 0.87 -4.79 0.16 0.00 -1.02 0.00 0.00 32.46 27.67 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lwm n ALA 24 N 1.80 -2.78 -3.65 7.54 0.00 -1.26 -4.95 120.51 117.20 1lwm n ALA 24 Ca -0.37 -0.81 -0.09 0.00 0.00 0.00 0.00 53.44 52.18 1lwm n ALA 24 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.37 0.26 0.00 1.43 -1.26 -5.04 118.68 113.70 1lwm s LEU 25 Ca 0.35 -0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1lwm s LEU 25 Cb -0.06 2.56 -0.05 0.00 0.03 0.00 0.00 46.19 48.66 1lwm s LEU 25 CO 0.30 -1.10 -0.18 -0.94 0.23 0.00 0.00 176.35 174.66 1lwm s SER 26 N -2.82 3.31 0.52 2.29 1.04 -1.26 -4.47 113.70 112.31 1lwm s SER 26 Ca 0.07 -1.03 0.28 0.00 0.48 0.00 0.00 55.95 55.75 1lwm s SER 26 Cb -0.03 -0.26 1.40 0.00 0.10 0.00 0.00 66.02 67.23 1lwm s SER 26 CO -0.02 -0.02 1.92 0.00 0.98 0.00 0.00 173.24 176.09 1lwm h ALA 27 N 2.34 2.66 0.02 5.32 0.00 -1.86 0.31 119.26 128.05 1lwm h ALA 27 Ca -0.39 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1lwm h ALA 27 Cb 1.25 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1lwm h ALA 27 CO 0.61 -0.88 -0.93 -0.92 0.00 0.00 0.00 179.25 177.12 1lwm h TYR 28 N 0.06 0.21 -0.22 0.00 3.20 -1.95 -2.70 116.97 115.57 1lwm h TYR 28 Ca 0.38 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1lwm h TYR 28 Cb 1.43 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1lwm h TYR 28 CO -0.00 0.99 -0.31 1.98 -1.64 0.00 0.00 178.16 179.18 1lwm h MET 29 N 0.06 0.44 0.18 1.82 4.05 -0.80 0.23 114.93 120.92 1lwm h MET 29 Ca -0.04 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 1lwm h MET 29 Cb 1.60 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.38 1lwm h MET 29 CO 0.14 0.71 -0.09 0.74 0.23 0.00 0.00 176.91 178.63 1lwm h PHE 30 N 0.39 -0.23 0.00 1.39 0.04 -1.40 0.10 116.94 117.22 1lwm h PHE 30 Ca 0.05 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1lwm h PHE 30 Cb 0.73 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.96 1lwm h PHE 30 CO 0.02 0.13 -0.03 0.35 -0.60 0.00 0.00 178.31 178.18 1lwm h PHE 31 N -0.95 0.00 0.03 -0.55 3.04 -1.51 -1.95 116.94 115.04 1lwm h PHE 31 Ca -0.03 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.47 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1lwm h PHE 31 CO 0.07 0.03 -1.61 0.00 -2.02 0.00 0.00 178.31 174.78 1lwm h ALA 32 N 1.97 0.62 -0.12 2.41 0.00 -0.56 -2.10 119.26 121.49 1lwm h ALA 32 Ca -0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 54.91 53.48 1lwm h ALA 32 Cb 0.19 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1lwm h ALA 32 CO 0.00 1.46 -0.33 -0.91 0.00 0.00 0.00 179.25 179.48 1lwm h ASN 33 N 0.01 0.23 0.07 0.00 -0.26 -0.03 0.39 115.58 116.01 1lwm h ASN 33 Ca -0.25 -0.08 -0.33 0.00 -0.56 0.00 0.00 56.30 55.07 1lwm h ASN 33 Cb 1.98 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 39.15 1lwm h ASN 33 CO 0.10 0.55 -1.84 -0.62 -1.06 0.00 0.00 177.43 174.56 1lwm n GLU 34 N -4.10 0.69 0.25 0.81 -0.58 -0.97 -4.12 120.64 112.61 1lwm n GLU 34 Ca -0.01 0.35 0.11 0.00 -0.42 0.00 0.00 57.16 57.19 1lwm n GLU 34 Cb 0.42 -1.70 0.64 0.00 -0.57 0.00 0.00 31.44 30.22 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1lwm h ASN 35 N -0.30 0.00 0.50 1.62 -0.26 -1.40 -1.85 115.58 113.89 1lwm h ASN 35 Ca -0.43 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.26 1lwm h ASN 35 Cb 1.79 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.04 1lwm h ASN 35 CO -0.04 0.16 -0.26 0.08 -1.06 0.00 0.00 177.43 176.32 1lwm h ARG 36 N 0.00 0.00 0.06 0.81 0.11 -1.07 -2.18 114.38 112.12 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1lwm h ARG 36 Cb 0.47 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.52 1lwm h ARG 36 CO 0.02 0.26 -1.50 -0.44 0.10 0.00 0.00 179.97 178.40 1lwm h ASP 37 N 0.00 0.21 -0.81 0.08 5.19 -1.50 -2.40 116.42 117.20 1lwm h ASP 37 Ca -0.00 -0.32 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 1lwm h ASP 37 Cb 0.58 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 1lwm h ASP 37 CO 0.03 1.27 0.34 0.40 -3.12 0.00 0.00 179.24 178.16 1lwm h ILE 38 N 0.04 1.26 0.02 0.35 2.04 -1.15 0.15 117.51 120.22 1lwm h ILE 38 Ca -0.22 -0.80 -0.18 0.00 1.00 0.00 0.00 64.86 64.66 1lwm h ILE 38 Cb 1.97 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1lwm h ILE 38 CO 0.13 0.33 -0.71 0.58 0.00 0.00 0.00 178.15 178.48 1lwm h VAL 39 N 1.17 1.42 0.00 1.67 2.07 -1.51 -2.61 116.25 118.45 1lwm h VAL 39 Ca 0.27 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 1lwm h VAL 39 Cb 0.19 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1lwm h VAL 39 CO -0.03 0.64 -0.07 -0.09 0.02 0.00 0.00 177.57 178.04 1lwm h ARG 40 N -0.07 0.00 0.16 1.57 2.43 -1.29 0.25 114.38 117.43 1lwm h ARG 40 Ca -0.10 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.79 1lwm h ARG 40 Cb 1.43 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.01 1lwm h ARG 40 CO 0.14 0.07 -1.22 1.03 -1.51 0.00 0.00 179.97 178.48 1lwm h SER 41 N 0.00 0.80 1.27 -3.80 0.87 -0.67 0.92 113.55 112.94 1lwm h SER 41 Ca -0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1lwm h SER 41 Cb 0.23 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1lwm h SER 41 CO 0.01 1.60 -0.01 -1.84 -0.53 0.00 0.00 176.83 176.06 1lwm n GLU 42 N -3.84 0.16 -2.79 2.24 0.28 -0.83 -4.19 120.64 111.66 1lwm n GLU 42 Ca -0.15 0.13 -0.10 0.00 -0.16 0.00 0.00 57.16 56.88 1lwm n GLU 42 Cb 0.98 -1.68 0.07 0.00 1.43 0.00 0.00 31.44 32.25 1lwm n GLU 42 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1lwm n ASN 43 N -1.95 -1.46 0.32 -1.84 3.02 0.81 -4.97 115.26 109.19 1lwm n ASN 43 Ca 0.06 -3.22 0.15 0.00 -0.03 0.00 0.00 54.58 51.53 1lwm n ASN 43 Cb 0.39 1.13 0.77 0.00 -0.61 0.00 0.00 39.78 41.47 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 2.76 0.00 -0.46 3.52 0.11 0.72 -0.94 132.00 137.71 1lwm h PRO 44 Ca -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1lwm h PRO 44 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1lwm h PRO 44 CO 0.17 0.00 0.24 0.38 -0.21 0.00 0.00 178.00 178.58 1lwm h ASP 45 N 0.00 0.58 -2.49 -2.05 3.04 -1.94 -3.44 116.42 110.13 1lwm h ASP 45 Ca 0.01 -0.11 -0.13 0.00 -3.24 0.00 0.00 57.03 53.57 1lwm h ASP 45 Cb 0.77 -0.15 0.05 0.00 -1.04 0.00 0.00 39.33 38.96 1lwm h ASP 45 CO -0.00 0.52 0.11 2.30 -2.04 0.00 0.00 179.24 180.14 1lwm n ILE 46 N -4.67 0.00 -3.64 4.15 -5.35 -0.36 -5.11 119.36 104.38 1lwm n ILE 46 Ca 0.01 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1lwm n ILE 46 Cb 0.09 -1.74 0.00 0.00 -1.74 0.00 0.00 39.64 36.26 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 -2.65 0.00 0.27 7.28 -2.24 -1.26 -4.99 114.28 110.68 1lwm n THR 47 Ca 0.05 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 1lwm n THR 47 Cb 0.18 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.76 0.00 -1.12 4.78 3.57 -1.97 -1.54 116.94 121.42 1lwm h PHE 48 Ca 0.00 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.84 1lwm h PHE 48 Cb 0.00 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.62 1lwm h PHE 48 CO 0.00 0.00 0.69 0.78 -2.23 0.00 0.00 178.31 177.55 1lwm h GLY 49 N 0.00 1.54 0.00 2.40 0.00 -2.00 -2.00 103.07 103.02 1lwm h GLY 49 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1lwm h GLY 49 CO -0.00 -0.34 -0.77 0.61 0.00 0.00 0.00 176.54 176.04 1lwm n GLN 50 N -4.79 1.80 0.07 4.80 0.00 -0.68 -4.62 117.38 113.96 1lwm n GLN 50 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 57.18 1lwm n GLN 50 Cb 1.09 -0.89 -0.08 0.00 0.00 0.00 0.00 30.24 30.36 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 1.02 -0.07 -0.39 2.07 -1.13 -0.94 116.25 116.81 1lwm h VAL 51 Ca 0.00 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1lwm h VAL 51 Cb 0.19 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1lwm h VAL 51 CO 0.00 0.10 -0.06 1.23 0.02 0.00 0.00 177.57 178.86 1lwm h GLY 52 N -0.32 0.10 2.00 2.17 0.00 -1.61 -0.81 103.07 104.61 1lwm h GLY 52 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1lwm h GLY 52 CO 0.02 0.05 -0.27 1.70 0.00 0.00 0.00 176.54 178.04 1lwm h LYS 53 N 0.10 0.00 0.08 4.80 1.63 -1.64 -1.73 116.57 119.80 1lwm h LYS 53 Ca 0.02 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.54 1lwm h LYS 53 Cb 0.18 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1lwm h LYS 53 CO 0.01 0.27 -1.16 0.87 -3.45 0.00 0.00 179.45 175.99 1lwm h LYS 54 N 0.00 0.55 0.00 1.90 1.79 0.24 -2.20 116.57 118.85 1lwm h LYS 54 Ca -0.00 -0.70 -0.08 0.00 -2.18 0.00 0.00 60.65 57.68 1lwm h LYS 54 Cb 0.93 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1lwm h LYS 54 CO 0.04 1.30 -0.39 -0.07 -1.08 0.00 0.00 179.45 179.24 1lwm h LEU 55 N 0.26 0.00 0.00 2.94 3.38 -1.31 -0.93 115.31 119.65 1lwm h LEU 55 Ca -0.15 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 1lwm h LEU 55 Cb 1.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.59 1lwm h LEU 55 CO 0.22 0.39 -1.13 1.23 0.09 0.00 0.00 178.44 179.24 1lwm h GLY 56 N 2.56 0.49 1.88 0.83 0.00 -1.30 -1.48 103.07 106.06 1lwm h GLY 56 Ca -0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 47.33 46.09 1lwm h GLY 56 CO 0.05 0.89 -1.08 0.83 0.00 0.00 0.00 176.54 177.23 1lwm h GLU 57 N 0.20 0.03 -0.02 4.80 5.08 -1.37 -1.60 114.58 121.69 1lwm h GLU 57 Ca -0.13 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1lwm h GLU 57 Cb 1.80 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.07 1lwm h GLU 57 CO 0.20 0.98 -0.35 0.87 -1.00 0.00 0.00 179.01 179.71 1lwm h LYS 58 N 0.01 0.27 -0.16 2.33 1.57 -1.24 -2.33 116.57 117.03 1lwm h LYS 58 Ca -0.04 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1lwm h LYS 58 Cb 1.81 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 1lwm h LYS 58 CO 0.13 0.96 -0.08 2.35 -0.57 0.00 0.00 179.45 182.24 1lwm h TRP 59 N -0.31 0.38 -0.97 -1.35 2.91 -1.38 0.44 115.95 115.67 1lwm h TRP 59 Ca -0.04 -0.10 0.07 0.00 1.13 0.00 0.00 58.89 59.96 1lwm h TRP 59 Cb 1.07 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.56 1lwm h TRP 59 CO 0.16 0.65 0.62 1.57 -1.03 0.00 0.00 178.44 180.41 1lwm h LYS 60 N 0.00 1.08 -0.01 2.65 5.09 -1.39 0.43 116.57 124.43 1lwm h LYS 60 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1lwm h LYS 60 Cb 0.55 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.64 1lwm h LYS 60 CO 0.02 0.72 -0.19 0.00 -2.09 0.00 0.00 179.45 177.91 1lwm n ALA 61 N -2.36 2.95 -1.92 0.07 0.00 -0.87 -4.87 120.51 113.50 1lwm n ALA 61 Ca 0.15 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 1lwm n ALA 61 Cb 0.20 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.37 3.85 0.21 0.00 0.05 0.15 -4.90 118.68 115.68 1lwm s LEU 62 Ca 0.28 1.83 -0.20 0.00 0.05 0.00 0.00 54.13 56.08 1lwm s LEU 62 Cb 0.20 -3.53 -0.13 0.00 -2.05 0.00 0.00 46.19 40.68 1lwm s LEU 62 CO 0.47 -1.42 0.29 0.41 -0.55 0.00 0.00 176.35 175.56 1lwm n THR 63 N 6.65 1.21 0.28 5.48 -1.04 -1.26 -4.45 114.28 121.16 1lwm n THR 63 Ca 0.22 -0.40 0.14 0.00 -2.04 0.00 0.00 64.05 61.97 1lwm n THR 63 Cb 0.45 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.71 1lwm n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1lwm h PRO 64 N 0.61 0.00 -0.53 -2.82 0.11 -1.95 -1.65 132.00 125.76 1lwm h PRO 64 Ca -0.25 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.90 1lwm h PRO 64 Cb 1.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1lwm h PRO 64 CO 0.42 0.00 0.30 0.93 -0.21 0.00 0.00 178.00 179.44 1lwm h GLU 65 N 0.00 0.58 0.05 1.05 5.08 -2.00 0.22 114.58 119.56 1lwm h GLU 65 Ca 0.00 -0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 58.03 1lwm h GLU 65 Cb 0.49 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1lwm h GLU 65 CO 0.00 0.38 -1.62 0.93 -1.00 0.00 0.00 179.01 177.70 1lwm h GLU 66 N 0.59 0.12 0.00 2.33 5.08 -1.61 -3.31 114.58 117.77 1lwm h GLU 66 Ca 0.22 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1lwm h GLU 66 Cb 0.06 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1lwm h GLU 66 CO -0.12 0.85 0.00 -0.22 -1.00 0.00 0.00 179.01 178.53 1lwm h LYS 67 N 0.03 0.00 0.53 2.33 3.64 -1.28 -2.58 116.57 119.24 1lwm h LYS 67 Ca -0.26 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1lwm h LYS 67 Cb 1.99 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.81 1lwm h LYS 67 CO 0.11 0.00 -0.25 1.96 -2.27 0.00 0.00 179.45 179.00 1lwm h GLN 68 N 0.00 -0.68 -0.66 1.90 4.20 -0.64 -1.97 115.11 117.25 1lwm h GLN 68 Ca 0.00 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1lwm h GLN 68 Cb 0.33 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1lwm h GLN 68 CO 0.00 -0.42 0.18 -1.00 -0.67 0.00 0.00 178.83 176.92 1lwm h PRO 69 N -1.15 1.02 0.56 1.46 0.13 -1.71 -2.31 132.00 130.01 1lwm h PRO 69 Ca -0.07 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1lwm h PRO 69 Cb 0.58 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.57 1lwm h PRO 69 CO 0.12 0.89 -0.27 1.88 -0.23 0.00 0.00 178.00 180.39 1lwm h TYR 70 N 0.98 -0.70 -0.95 1.56 0.05 -1.55 -1.38 116.97 114.98 1lwm h TYR 70 Ca 0.21 -0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.10 1lwm h TYR 70 Cb 0.31 0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.20 1lwm h TYR 70 CO 0.02 -0.43 0.58 1.49 -1.05 0.00 0.00 178.16 178.77 1lwm h GLU 71 N -0.77 0.88 -0.13 4.88 4.81 -1.31 0.12 114.58 123.06 1lwm h GLU 71 Ca -0.08 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1lwm h GLU 71 Cb 0.58 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1lwm h GLU 71 CO 0.13 0.58 -0.04 0.00 -0.73 0.00 0.00 179.01 178.94 1lwm h ALA 72 N 1.53 1.68 -0.16 2.92 0.00 -1.10 -1.44 119.26 122.69 1lwm h ALA 72 Ca 0.48 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1lwm h ALA 72 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1lwm h ALA 72 CO -0.28 0.24 -0.57 -0.22 0.00 0.00 0.00 179.25 178.42 1lwm h LYS 73 N 0.19 0.50 0.00 0.00 3.64 0.35 -2.16 116.57 119.09 1lwm h LYS 73 Ca 0.04 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1lwm h LYS 73 Cb 0.21 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1lwm h LYS 73 CO 0.01 0.93 -0.47 0.00 -2.27 0.00 0.00 179.45 177.65 1lwm h ALA 74 N 1.00 1.04 -0.03 5.00 0.00 -0.56 -1.94 119.26 123.77 1lwm h ALA 74 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1lwm h ALA 74 Cb 1.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1lwm h ALA 74 CO 0.10 0.58 -0.83 1.96 0.00 0.00 0.00 179.25 181.06 1lwm h GLN 75 N 0.00 0.36 -0.12 0.00 1.08 -1.09 0.19 115.11 115.53 1lwm h GLN 75 Ca -0.00 -0.35 -0.15 0.00 -1.45 0.00 0.00 58.65 56.70 1lwm h GLN 75 Cb 0.93 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1lwm h GLN 75 CO 0.06 1.01 -0.57 0.00 -0.95 0.00 0.00 178.83 178.39 1lwm h ALA 76 N 0.88 0.80 0.00 3.87 0.00 -1.19 -2.08 119.26 121.53 1lwm h ALA 76 Ca -0.05 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1lwm h ALA 76 Cb 1.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1lwm h ALA 76 CO 0.14 0.70 -0.60 -0.44 0.00 0.00 0.00 179.25 179.05 1lwm h ASP 77 N 0.29 0.00 0.70 0.00 5.19 -1.31 -2.81 116.42 118.47 1lwm h ASP 77 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1lwm h ASP 77 Cb 1.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 1lwm h ASP 77 CO 0.10 0.29 -0.65 0.50 -3.12 0.00 0.00 179.24 176.35 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 1.63 -0.41 -2.20 116.57 119.15 1lwm h LYS 78 Ca -0.03 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.57 1lwm h LYS 78 Cb 1.24 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.84 1lwm h LYS 78 CO 0.03 0.65 -1.11 0.87 -3.45 0.00 0.00 179.45 176.44 1lwm h LYS 79 N 0.00 0.00 -0.25 1.90 1.79 -1.40 -2.18 116.57 116.43 1lwm h LYS 79 Ca -0.01 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.28 1lwm h LYS 79 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1lwm h LYS 79 CO 0.09 0.69 -0.57 0.00 -1.08 0.00 0.00 179.45 178.58 1lwm h ARG 80 N 0.00 0.78 0.14 3.15 2.47 -1.39 0.23 114.38 119.77 1lwm h ARG 80 Ca -0.09 -0.51 -0.28 0.00 -1.26 0.00 0.00 59.98 57.83 1lwm h ARG 80 Cb 1.72 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 30.12 1lwm h ARG 80 CO 0.09 1.14 -1.27 -0.92 0.56 0.00 0.00 179.97 179.57 1lwm h TYR 81 N 0.60 0.63 0.00 3.04 3.20 -1.49 -2.92 116.97 120.03 1lwm h TYR 81 Ca 0.01 -0.45 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 1lwm h TYR 81 Cb 1.16 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 1lwm h TYR 81 CO 0.07 1.34 -0.05 0.93 -1.64 0.00 0.00 178.16 178.80 1lwm h GLU 82 N 0.11 0.00 0.06 1.82 5.08 -1.41 -2.42 114.58 117.82 1lwm h GLU 82 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1lwm h GLU 82 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1lwm h GLU 82 CO 0.22 0.05 -0.03 1.03 -1.00 0.00 0.00 179.01 179.28 1lwm h SER 83 N 0.00 -0.06 -0.69 1.42 0.87 -0.57 -1.57 113.55 112.95 1lwm h SER 83 Ca -0.00 -0.57 -0.06 0.00 -1.23 0.00 0.00 61.79 59.92 1lwm h SER 83 Cb 0.96 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1lwm h SER 83 CO 0.01 0.64 0.18 -0.33 -0.53 0.00 0.00 176.83 176.79 1lwm h GLU 84 N -0.88 1.09 -0.49 2.24 5.08 -1.60 -2.33 114.58 117.70 1lwm h GLU 84 Ca -0.01 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1lwm h GLU 84 Cb 0.64 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1lwm h GLU 84 CO 0.01 0.97 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.71 1lwm h LYS 85 N 1.03 0.86 -0.45 2.33 3.11 -1.54 -2.22 116.57 119.69 1lwm h LYS 85 Ca 0.22 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1lwm h LYS 85 Cb 0.36 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 1lwm h LYS 85 CO 0.00 0.90 0.25 0.93 -2.81 0.00 0.00 179.45 178.72 1lwm h GLU 86 N 0.79 0.62 -0.77 1.90 5.08 -0.98 -2.06 114.58 119.16 1lwm h GLU 86 Ca 0.14 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1lwm h GLU 86 Cb 0.56 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1lwm h GLU 86 CO 0.03 0.49 0.27 -0.07 -1.00 0.00 0.00 179.01 178.73 1lwm h LEU 87 N 0.59 1.09 -0.02 1.33 -0.00 -1.28 -1.84 115.31 115.17 1lwm h LEU 87 Ca 0.16 -0.19 0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1lwm h LEU 87 Cb 0.05 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 1lwm h LEU 87 CO -0.03 0.99 -0.05 0.22 -0.00 0.00 0.00 178.44 179.58 1lwm h TYR 88 N 1.13 -0.12 -0.26 1.13 3.20 -1.07 0.55 116.97 121.53 1lwm h TYR 88 Ca 0.25 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1lwm h TYR 88 Cb 0.27 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1lwm h TYR 88 CO 0.02 -0.08 0.03 -0.91 -1.64 0.00 0.00 178.16 175.58 1lwm h ASN 89 N -0.07 0.35 1.57 -2.11 -0.26 -1.24 -1.08 115.58 112.74 1lwm h ASN 89 Ca 0.03 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1lwm h ASN 89 Cb 0.11 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1lwm h ASN 89 CO -0.07 0.39 0.00 0.00 -1.06 0.00 0.00 177.43 176.69 1lwm h ALA 90 N 1.66 1.00 0.07 -0.83 0.00 -0.68 -1.10 119.26 119.38 1lwm h ALA 90 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 1lwm h ALA 90 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1lwm h ALA 90 CO 0.00 0.00 -1.61 1.79 0.00 0.00 0.00 179.25 179.43 1lwm h THR 91 N 0.00 1.02 0.00 0.00 1.35 0.26 -3.40 112.91 112.14 1lwm h THR 91 Ca 0.00 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1lwm h THR 91 Cb 0.79 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1lwm h THR 91 CO 0.00 0.74 -0.17 -0.07 -0.25 0.00 0.00 175.52 175.77 1lwm h LEU 92 N 0.04 0.00 0.00 3.87 3.38 -1.22 -3.51 115.31 117.86 1lwm h LEU 92 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1lwm h LEU 92 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1lwm h LEU 92 CO 0.12 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.18