#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 -8.89 -3.68 2.03 0.31 -1.26 -5.04 118.33 101.80 1lwm n VAL 2 Ca 0.00 0.71 -0.10 0.00 -0.01 0.00 0.00 64.34 64.94 1lwm n VAL 2 Cb 0.00 -6.10 -0.10 0.00 -0.91 0.00 0.00 33.84 26.72 1lwm n VAL 2 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1lwm s THR 3 N -2.18 -0.17 -1.27 2.52 -1.32 -1.26 -5.02 115.64 106.94 1lwm s THR 3 Ca 0.27 0.11 0.15 0.00 -1.21 0.00 0.00 61.69 61.00 1lwm s THR 3 Cb -0.06 -0.64 0.21 0.00 -1.51 0.00 0.00 72.50 70.51 1lwm s THR 3 CO 0.78 0.04 1.43 -0.81 -2.21 0.00 0.00 174.62 173.86 1lwm n PRO 4 N 4.53 0.13 -3.50 7.08 -0.04 -1.26 -4.75 135.00 137.19 1lwm n PRO 4 Ca -0.20 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1lwm n PRO 4 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1lwm n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1lwm s ARG 5 N -2.73 2.52 -0.08 0.54 0.52 -1.26 -4.90 118.95 113.56 1lwm s ARG 5 Ca 0.12 -1.56 -0.05 0.00 -0.52 0.00 0.00 55.73 53.71 1lwm s ARG 5 Cb 0.10 -2.40 0.02 0.00 0.52 0.00 0.00 34.95 33.18 1lwm s ARG 5 CO 0.24 -0.29 0.09 -1.91 0.02 0.00 0.00 175.30 173.45 1lwm n GLU 6 N -1.65 -2.54 -0.10 3.54 0.00 -1.26 -4.88 120.64 113.75 1lwm n GLU 6 Ca 0.04 2.09 -0.12 0.00 0.00 0.00 0.00 57.16 59.17 1lwm n GLU 6 Cb 0.62 -2.51 0.01 0.00 0.00 0.00 0.00 31.44 29.55 1lwm n GLU 6 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1lwm h PRO 7 N 4.61 0.87 0.00 5.31 0.13 -1.92 -3.47 132.00 137.53 1lwm h PRO 7 Ca -0.21 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1lwm h PRO 7 Cb 0.53 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1lwm h PRO 7 CO 0.01 1.09 0.00 0.36 -0.23 0.00 0.00 178.00 179.23 1lwm n LYS 8 N -4.05 0.00 -1.68 0.86 2.85 -1.26 -5.13 118.16 109.75 1lwm n LYS 8 Ca -0.02 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.78 1lwm n LYS 8 Cb 0.54 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.88 1lwm n LYS 8 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1lwm n LYS 9 N 0.00 2.29 -1.67 -1.58 4.81 -1.26 -4.83 118.16 115.91 1lwm n LYS 9 Ca 0.00 0.83 -0.05 0.00 -0.87 0.00 0.00 58.31 58.22 1lwm n LYS 9 Cb 0.00 -2.65 0.01 0.00 0.02 0.00 0.00 35.03 32.41 1lwm n LYS 9 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1lwm n ARG 10 N 4.90 0.55 -0.00 1.64 0.63 -1.26 -4.92 116.66 118.20 1lwm n ARG 10 Ca 0.19 -1.10 0.09 0.00 -0.92 0.00 0.00 57.85 56.11 1lwm n ARG 10 Cb 0.31 0.46 -0.12 0.00 0.45 0.00 0.00 32.46 33.56 1lwm n ARG 10 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1lwm n THR 11 N -0.62 0.00 -0.08 5.15 -1.04 -1.26 -4.53 114.28 111.89 1lwm n THR 11 Ca -0.24 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.45 1lwm n THR 11 Cb 0.77 0.72 -0.09 0.00 -1.82 0.00 0.00 70.33 69.91 1lwm n THR 11 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1lwm h THR 12 N 0.00 0.98 -2.75 12.58 2.02 -2.01 -3.46 112.91 120.28 1lwm h THR 12 Ca 0.00 -1.94 -0.53 0.00 0.77 0.00 0.00 66.41 64.71 1lwm h THR 12 Cb 0.57 2.06 0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1lwm h THR 12 CO 0.00 0.33 0.94 -0.13 0.37 0.00 0.00 175.52 177.04 1lwm s ARG 13 N -2.21 4.19 -0.01 6.66 0.52 -1.26 -5.00 118.95 121.84 1lwm s ARG 13 Ca -0.20 2.40 0.02 0.00 -0.52 0.00 0.00 55.73 57.43 1lwm s ARG 13 Cb 0.02 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.19 1lwm s ARG 13 CO 0.51 -0.67 -0.07 0.21 0.02 0.00 0.00 175.30 175.30 1lwm s LYS 14 N 1.66 0.58 0.50 3.54 2.20 -1.26 -5.03 119.74 121.92 1lwm s LYS 14 Ca 0.72 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.93 1lwm s LYS 14 Cb -0.44 -0.56 -0.08 0.00 -1.51 0.00 0.00 37.83 35.24 1lwm s LYS 14 CO 0.32 0.12 0.98 -1.59 -0.36 0.00 0.00 175.35 174.82 1lwm s LYS 15 N -0.06 3.99 -0.02 4.03 -2.85 -1.26 -4.99 119.74 118.59 1lwm s LYS 15 Ca 0.01 0.98 0.04 0.00 -1.00 0.00 0.00 55.97 55.99 1lwm s LYS 15 Cb -0.04 -2.15 0.05 0.00 -2.06 0.00 0.00 37.83 33.64 1lwm s LYS 15 CO -0.00 -0.23 1.00 0.36 0.10 0.00 0.00 175.35 176.58 1lwm n LYS 16 N -1.42 0.27 -1.71 1.78 0.00 -1.26 -5.10 118.16 110.73 1lwm n LYS 16 Ca 0.07 -1.27 -0.42 0.00 -0.00 0.00 0.00 58.31 56.68 1lwm n LYS 16 Cb 0.54 -0.69 -0.00 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 -0.27 2.94 -3.06 -5.58 -0.08 -1.26 -4.97 116.55 104.27 1lwm n ASP 17 Ca 0.03 1.21 -0.03 0.00 -1.51 0.00 0.00 54.79 54.49 1lwm n ASP 17 Cb 0.67 -1.51 0.03 0.00 2.34 0.00 0.00 41.12 42.65 1lwm n ASP 17 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1lwm n PRO 18 N 0.51 -0.70 -1.38 -0.67 -0.02 -1.26 -4.62 135.00 126.85 1lwm n PRO 18 Ca 0.04 -0.13 -0.57 0.00 -2.02 0.00 0.00 63.50 60.83 1lwm n PRO 18 Cb 0.37 -0.22 -0.10 0.00 -0.02 0.00 0.00 33.50 33.53 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 -1.92 1.38 -3.39 2.55 3.02 -1.26 -4.90 115.26 110.75 1lwm n ASN 19 Ca 0.01 0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 55.05 1lwm n ASN 19 Cb 0.05 -1.05 -0.09 0.00 -0.61 0.00 0.00 39.78 38.08 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 6.15 -0.68 1.03 5.41 0.00 -1.26 -4.81 121.76 127.60 1lwm s ALA 20 Ca 1.14 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 1lwm s ALA 20 Cb -1.24 -1.76 0.21 0.00 0.00 0.00 0.00 23.12 20.33 1lwm s ALA 20 CO 0.61 -1.57 1.10 -1.25 0.00 0.00 0.00 175.76 174.64 1lwm s PRO 21 N 2.42 0.15 0.36 0.00 0.04 -1.26 -5.07 135.00 131.63 1lwm s PRO 21 Ca 0.10 0.41 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1lwm s PRO 21 Cb -0.14 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1lwm s PRO 21 CO -0.26 -2.90 0.29 0.21 0.04 0.00 0.00 177.00 174.38 1lwm s LYS 22 N -5.02 2.61 -0.84 4.56 2.47 -1.26 -5.01 119.74 117.24 1lwm s LYS 22 Ca 0.66 -1.41 -0.25 0.00 -1.56 0.00 0.00 55.97 53.41 1lwm s LYS 22 Cb -0.18 -2.40 -0.09 0.00 -1.46 0.00 0.00 37.83 33.71 1lwm s LYS 22 CO 0.57 0.02 2.17 -0.98 0.16 0.00 0.00 175.35 177.29 1lwm s ARG 23 N -4.01 2.10 1.06 4.03 1.70 -1.26 -4.90 118.95 117.67 1lwm s ARG 23 Ca 0.42 0.09 -0.21 0.00 -0.47 0.00 0.00 55.73 55.57 1lwm s ARG 23 Cb -0.04 -4.92 0.00 0.00 -0.57 0.00 0.00 34.95 29.42 1lwm s ARG 23 CO 0.26 -3.89 -0.52 0.00 -1.08 0.00 0.00 175.30 170.07 1lwm n ALA 24 N 16.22 -4.33 -2.55 7.88 0.00 -1.26 -5.03 120.51 131.44 1lwm n ALA 24 Ca 0.43 -1.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.32 1lwm n ALA 24 Cb 0.45 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 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 2.21 2.34 0.50 0.00 1.43 -1.26 -5.11 118.68 118.79 1lwm s LEU 25 Ca 0.46 -1.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.17 1lwm s LEU 25 Cb -0.03 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.69 1lwm s LEU 25 CO 0.62 -0.65 0.41 -0.44 0.23 0.00 0.00 176.35 176.52 1lwm s SER 26 N -3.62 4.78 0.62 2.29 0.01 -1.26 -4.70 113.70 111.82 1lwm s SER 26 Ca 0.30 -1.05 0.28 0.00 1.31 0.00 0.00 55.95 56.79 1lwm s SER 26 Cb 0.07 0.03 1.46 0.00 0.21 0.00 0.00 66.02 67.79 1lwm s SER 26 CO 0.14 -0.94 1.86 0.00 0.41 0.00 0.00 173.24 174.71 1lwm h ALA 27 N 0.85 1.94 0.11 1.44 0.00 -1.87 0.28 119.26 122.01 1lwm h ALA 27 Ca -0.38 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 1lwm h ALA 27 Cb 1.29 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1lwm h ALA 27 CO 0.57 -0.64 -1.22 -0.92 0.00 0.00 0.00 179.25 177.04 1lwm h TYR 28 N 0.00 0.84 0.00 0.00 3.20 -1.93 -2.66 116.97 116.42 1lwm h TYR 28 Ca 0.15 -0.54 -0.05 0.00 3.14 0.00 0.00 58.73 61.43 1lwm h TYR 28 Cb 1.10 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1lwm h TYR 28 CO 0.00 1.39 -0.24 1.98 -1.64 0.00 0.00 178.16 179.66 1lwm h MET 29 N 0.22 0.00 0.08 1.82 4.05 -0.83 0.14 114.93 120.42 1lwm h MET 29 Ca -0.17 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1lwm h MET 29 Cb 1.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1lwm h MET 29 CO 0.22 0.24 -0.04 0.74 0.23 0.00 0.00 176.91 178.30 1lwm h PHE 30 N 0.00 -0.11 0.00 1.39 -1.00 -1.35 0.74 116.94 116.61 1lwm h PHE 30 Ca -0.00 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1lwm h PHE 30 Cb 0.75 0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 1lwm h PHE 30 CO 0.00 0.23 -0.05 0.35 -1.61 0.00 0.00 178.31 177.23 1lwm h PHE 31 N -0.99 0.00 0.04 -0.55 3.04 -1.51 -2.33 116.94 114.65 1lwm h PHE 31 Ca -0.01 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.38 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 1lwm h PHE 31 CO 0.08 0.05 -1.69 0.00 -2.02 0.00 0.00 178.31 174.73 1lwm h ALA 32 N 1.95 0.61 0.00 2.41 0.00 -0.79 -2.27 119.26 121.17 1lwm h ALA 32 Ca -0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 54.91 53.44 1lwm h ALA 32 Cb 0.48 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1lwm h ALA 32 CO 0.01 1.45 -0.53 -0.91 0.00 0.00 0.00 179.25 179.27 1lwm h ASN 33 N 0.02 0.00 0.04 0.00 -0.26 -0.58 0.33 115.58 115.14 1lwm h ASN 33 Ca -0.29 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.17 1lwm h ASN 33 Cb 2.00 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.23 1lwm h ASN 33 CO 0.10 0.53 -1.56 1.21 -1.06 0.00 0.00 177.43 176.64 1lwm n GLU 34 N -3.75 0.64 0.20 0.81 2.13 -0.90 -3.88 120.64 115.88 1lwm n GLU 34 Ca -0.01 0.46 0.06 0.00 0.66 0.00 0.00 57.16 58.32 1lwm n GLU 34 Cb 0.57 -1.73 0.42 0.00 0.27 0.00 0.00 31.44 30.97 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 -0.62 0.00 0.63 4.31 2.35 -1.48 -2.15 115.58 118.62 1lwm h ASN 35 Ca -0.39 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 1lwm h ASN 35 Cb 1.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 1lwm h ASN 35 CO -0.11 0.33 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.69 1lwm h ARG 36 N 0.00 0.00 0.08 0.81 1.12 -1.09 -2.20 114.38 113.11 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.58 1lwm h ARG 36 Cb 0.69 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.63 1lwm h ARG 36 CO 0.04 0.21 -1.45 0.22 -3.11 0.00 0.00 179.97 175.89 1lwm h ASP 37 N 0.00 0.27 -0.69 -3.80 3.58 -1.51 -2.29 116.42 111.99 1lwm h ASP 37 Ca -0.00 -0.37 -0.07 0.00 0.42 0.00 0.00 57.03 57.00 1lwm h ASP 37 Cb 0.59 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1lwm h ASP 37 CO 0.03 1.31 0.16 0.40 -2.88 0.00 0.00 179.24 178.26 1lwm h ILE 38 N 0.05 1.26 -0.01 2.25 1.08 -1.13 -0.49 117.51 120.52 1lwm h ILE 38 Ca -0.20 -0.97 -0.25 0.00 -0.39 0.00 0.00 64.86 63.05 1lwm h ILE 38 Cb 1.97 0.55 0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1lwm h ILE 38 CO 0.15 0.37 -0.95 0.58 -0.69 0.00 0.00 178.15 177.60 1lwm h VAL 39 N 1.05 1.30 -0.33 1.67 2.07 -1.50 -2.61 116.25 117.90 1lwm h VAL 39 Ca 0.22 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 1lwm h VAL 39 Cb 0.37 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1lwm h VAL 39 CO 0.00 0.68 0.15 -0.09 0.02 0.00 0.00 177.57 178.33 1lwm h ARG 40 N 0.31 0.46 -0.20 1.57 2.43 -1.27 0.28 114.38 117.97 1lwm h ARG 40 Ca -0.12 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.80 1lwm h ARG 40 Cb 1.62 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1lwm h ARG 40 CO 0.19 0.37 -0.70 1.03 -1.51 0.00 0.00 179.97 179.35 1lwm h SER 41 N 0.46 0.92 1.27 -3.80 0.87 -1.08 0.30 113.55 112.49 1lwm h SER 41 Ca 0.12 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1lwm h SER 41 Cb 0.07 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1lwm h SER 41 CO -0.02 1.36 0.00 -0.33 -0.53 0.00 0.00 176.83 177.32 1lwm h GLU 42 N 0.57 0.00 -1.15 2.24 4.39 -0.97 -3.38 114.58 116.28 1lwm h GLU 42 Ca -0.03 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.40 1lwm h GLU 42 Cb 1.31 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.75 1lwm h GLU 42 CO 0.15 0.00 -0.62 0.09 -1.16 0.00 0.00 179.01 177.47 1lwm n ASN 43 N -2.32 -2.61 0.00 1.42 3.02 0.93 -4.98 115.26 110.72 1lwm n ASN 43 Ca 0.04 -2.87 0.06 0.00 -0.03 0.00 0.00 54.58 51.79 1lwm n ASN 43 Cb 0.37 1.20 0.29 0.00 -0.61 0.00 0.00 39.78 41.04 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1lwm n PRO 44 N 2.62 0.08 0.20 3.52 -0.04 0.08 -2.58 135.00 138.88 1lwm n PRO 44 Ca 0.19 0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 1lwm n PRO 44 Cb 0.55 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.92 1lwm n PRO 44 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1lwm h ASP 45 N 0.00 0.00 -1.41 3.54 5.19 -1.94 -3.45 116.42 118.36 1lwm h ASP 45 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1lwm h ASP 45 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1lwm h ASP 45 CO 0.00 0.35 0.00 2.30 -3.12 0.00 0.00 179.24 178.77 1lwm n ILE 46 N -3.89 0.00 -3.47 0.35 -5.35 -1.06 -5.16 119.36 100.78 1lwm n ILE 46 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1lwm n ILE 46 Cb 0.41 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1lwm n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1lwm n THR 47 N 0.00 0.00 -0.24 7.28 -2.24 -1.26 -4.98 114.28 112.84 1lwm n THR 47 Ca 0.00 0.00 0.32 0.00 -2.27 0.00 0.00 64.05 62.10 1lwm n THR 47 Cb 0.00 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.86 0.00 -0.86 4.78 3.57 -1.93 -1.17 116.94 122.19 1lwm h PHE 48 Ca 0.00 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1lwm h PHE 48 Cb 0.00 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.58 1lwm h PHE 48 CO 0.00 0.00 0.14 0.41 -2.23 0.00 0.00 178.31 176.63 1lwm n GLY 49 N -1.71 -1.03 0.00 2.40 0.00 -1.26 -1.60 105.19 101.99 1lwm n GLY 49 Ca 0.23 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1lwm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lwm n GLN 50 N -5.16 3.01 0.13 1.61 0.00 -0.60 -4.62 117.38 111.75 1lwm n GLN 50 Ca 0.24 -0.04 -0.22 0.00 0.00 0.00 0.00 57.00 56.98 1lwm n GLN 50 Cb 0.78 -0.33 -0.15 0.00 0.00 0.00 0.00 30.24 30.54 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 0.07 1.34 0.07 -0.39 2.07 -0.83 -1.15 116.25 117.43 1lwm h VAL 51 Ca 0.00 -2.77 -0.25 0.00 0.82 0.00 0.00 66.70 64.49 1lwm h VAL 51 Cb 0.04 2.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1lwm h VAL 51 CO 0.00 0.83 -1.10 1.23 0.02 0.00 0.00 177.57 178.55 1lwm h GLY 52 N 0.57 0.44 2.00 2.17 0.00 -1.52 -1.74 103.07 104.99 1lwm h GLY 52 Ca -0.22 -0.90 -0.14 0.00 0.00 0.00 0.00 47.33 46.07 1lwm h GLY 52 CO 0.25 0.79 -0.69 1.70 0.00 0.00 0.00 176.54 178.60 1lwm h LYS 53 N 0.18 0.00 0.03 4.80 3.64 -1.68 -1.68 116.57 121.87 1lwm h LYS 53 Ca -0.12 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 53 Cb 1.77 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1lwm h LYS 53 CO 0.19 0.69 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.34 1lwm h LYS 54 N 0.00 0.28 -0.10 1.90 3.64 -1.25 -2.53 116.57 118.51 1lwm h LYS 54 Ca -0.01 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 1lwm h LYS 54 Cb 1.52 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1lwm h LYS 54 CO 0.09 1.07 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.91 1lwm h LEU 55 N -0.36 0.21 -0.37 5.20 3.38 -1.40 -2.32 115.31 119.65 1lwm h LEU 55 Ca -0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1lwm h LEU 55 Cb 1.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1lwm h LEU 55 CO 0.10 0.57 0.03 1.23 0.09 0.00 0.00 178.44 180.45 1lwm h GLY 56 N 1.15 0.68 1.36 0.83 0.00 -1.34 -0.45 103.07 105.30 1lwm h GLY 56 Ca 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1lwm h GLY 56 CO 0.06 0.44 0.14 0.83 0.00 0.00 0.00 176.54 178.01 1lwm h GLU 57 N 0.46 0.81 -0.14 4.80 5.08 -1.29 -1.36 114.58 122.95 1lwm h GLU 57 Ca 0.11 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1lwm h GLU 57 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1lwm h GLU 57 CO 0.01 0.72 -0.36 0.87 -1.00 0.00 0.00 179.01 179.25 1lwm h LYS 58 N 0.78 0.29 -0.29 2.33 1.57 -1.17 -2.62 116.57 117.46 1lwm h LYS 58 Ca 0.18 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1lwm h LYS 58 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1lwm h LYS 58 CO -0.00 0.62 -0.08 2.35 -0.57 0.00 0.00 179.45 181.76 1lwm h TRP 59 N 0.25 0.64 -0.90 -1.35 2.91 -0.26 0.61 115.95 117.84 1lwm h TRP 59 Ca 0.03 -0.14 0.05 0.00 1.13 0.00 0.00 58.89 59.96 1lwm h TRP 59 Cb 0.76 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.20 1lwm h TRP 59 CO 0.02 0.77 0.59 0.87 -1.03 0.00 0.00 178.44 179.65 1lwm h LYS 60 N 0.32 1.04 -0.04 2.65 1.57 -1.10 -0.22 116.57 120.80 1lwm h LYS 60 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lwm h LYS 60 Cb 0.57 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1lwm h LYS 60 CO 0.03 0.69 0.00 0.00 -0.57 0.00 0.00 179.45 179.60 1lwm n ALA 61 N -2.40 2.52 -2.15 3.86 0.00 -1.00 -4.91 120.51 116.42 1lwm n ALA 61 Ca 0.13 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 1lwm n ALA 61 Cb 0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.96 4.28 0.12 0.00 0.05 0.21 -4.91 118.68 116.47 1lwm s LEU 62 Ca 0.33 2.05 -0.21 0.00 0.05 0.00 0.00 54.13 56.35 1lwm s LEU 62 Cb 0.20 -3.54 -0.12 0.00 -2.05 0.00 0.00 46.19 40.68 1lwm s LEU 62 CO 0.32 -0.86 0.44 0.41 -0.55 0.00 0.00 176.35 176.10 1lwm n THR 63 N 5.40 1.18 0.32 5.48 -1.04 -1.26 -4.52 114.28 119.83 1lwm n THR 63 Ca 0.16 -0.30 0.19 0.00 -2.04 0.00 0.00 64.05 62.06 1lwm n THR 63 Cb 0.43 0.00 1.01 0.00 -1.82 0.00 0.00 70.33 69.96 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 0.95 0.00 -0.88 -2.82 0.11 -1.95 -1.85 132.00 125.56 1lwm h PRO 64 Ca -0.23 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.93 1lwm h PRO 64 Cb 1.02 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 1lwm h PRO 64 CO 0.41 0.00 0.56 0.93 -0.21 0.00 0.00 178.00 179.69 1lwm h GLU 65 N 0.00 1.01 0.02 1.05 5.08 -2.01 0.15 114.58 119.88 1lwm h GLU 65 Ca 0.00 -0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1lwm h GLU 65 Cb 0.24 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1lwm h GLU 65 CO 0.00 0.67 -1.73 0.39 -1.00 0.00 0.00 179.01 177.33 1lwm n GLU 66 N -4.58 0.65 0.29 2.33 -0.58 -0.73 -3.85 120.64 114.16 1lwm n GLU 66 Ca 0.12 0.30 0.19 0.00 -0.42 0.00 0.00 57.16 57.35 1lwm n GLU 66 Cb 0.14 -1.79 0.83 0.00 -0.57 0.00 0.00 31.44 30.05 1lwm n GLU 66 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1lwm h LYS 67 N 0.01 0.00 0.36 3.49 1.57 -1.13 -2.75 116.57 118.12 1lwm h LYS 67 Ca -0.30 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1lwm h LYS 67 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1lwm h LYS 67 CO 0.08 0.00 -0.17 1.96 -0.57 0.00 0.00 179.45 180.75 1lwm h GLN 68 N 0.00 -0.46 -0.56 3.15 7.50 -0.82 -2.18 115.11 121.75 1lwm h GLN 68 Ca 0.00 0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.27 1lwm h GLN 68 Cb 0.35 0.10 -0.07 0.00 0.05 0.00 0.00 27.48 27.91 1lwm h GLN 68 CO 0.00 -0.31 0.17 -1.35 -1.50 0.00 0.00 178.83 175.84 1lwm h PRO 69 N -1.08 0.31 0.32 1.46 0.11 -1.70 -1.26 132.00 130.16 1lwm h PRO 69 Ca -0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1lwm h PRO 69 Cb 0.37 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1lwm h PRO 69 CO 0.08 0.21 -0.19 1.88 -0.21 0.00 0.00 178.00 179.77 1lwm h TYR 70 N 0.32 -0.49 -0.96 0.65 0.05 -1.61 -1.97 116.97 112.97 1lwm h TYR 70 Ca 0.28 -0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.24 1lwm h TYR 70 Cb 0.36 0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.19 1lwm h TYR 70 CO -0.20 -0.29 0.61 1.49 -1.05 0.00 0.00 178.16 178.72 1lwm h GLU 71 N -0.48 0.59 -0.44 4.88 4.81 -0.97 0.23 114.58 123.21 1lwm h GLU 71 Ca -0.03 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1lwm h GLU 71 Cb 0.40 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1lwm h GLU 71 CO 0.04 0.39 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1lwm h ALA 72 N 1.62 1.19 -0.19 2.92 0.00 -0.65 -1.32 119.26 122.82 1lwm h ALA 72 Ca 0.52 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1lwm h ALA 72 Cb 0.99 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1lwm h ALA 72 CO -0.27 0.53 -0.45 -0.22 0.00 0.00 0.00 179.25 178.84 1lwm h LYS 73 N 0.67 0.49 0.00 0.00 1.63 0.13 -2.21 116.57 117.27 1lwm h LYS 73 Ca 0.13 -0.26 -0.09 0.00 -0.85 0.00 0.00 60.65 59.58 1lwm h LYS 73 Cb 0.41 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1lwm h LYS 73 CO 0.02 0.84 -0.43 0.00 -3.45 0.00 0.00 179.45 176.43 1lwm h ALA 74 N 1.12 1.08 -0.06 5.00 0.00 -0.77 -1.98 119.26 123.65 1lwm h ALA 74 Ca 0.03 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 1lwm h ALA 74 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1lwm h ALA 74 CO 0.08 0.54 -0.82 1.96 0.00 0.00 0.00 179.25 181.02 1lwm h GLN 75 N 0.00 0.47 -0.15 0.00 7.50 -0.95 0.26 115.11 122.23 1lwm h GLN 75 Ca -0.00 -0.42 -0.13 0.00 0.50 0.00 0.00 58.65 58.59 1lwm h GLN 75 Cb 0.88 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.50 1lwm h GLN 75 CO 0.06 1.06 -0.48 0.00 -1.50 0.00 0.00 178.83 177.97 1lwm h ALA 76 N 0.80 0.91 0.00 3.87 0.00 -1.20 -2.16 119.26 121.49 1lwm h ALA 76 Ca -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1lwm h ALA 76 Cb 1.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1lwm h ALA 76 CO 0.14 0.65 -0.57 -0.44 0.00 0.00 0.00 179.25 179.04 1lwm h ASP 77 N 0.31 0.00 0.60 0.00 5.19 -1.31 -3.01 116.42 118.20 1lwm h ASP 77 Ca 0.02 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.29 1lwm h ASP 77 Cb 0.95 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 1lwm h ASP 77 CO 0.08 0.15 -0.65 0.50 -3.12 0.00 0.00 179.24 176.20 1lwm h LYS 78 N 0.00 0.05 0.00 3.56 3.64 -0.18 -2.04 116.57 121.59 1lwm h LYS 78 Ca -0.02 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 78 Cb 1.13 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1lwm h LYS 78 CO 0.02 0.68 -0.95 1.57 -2.27 0.00 0.00 179.45 178.50 1lwm h LYS 79 N 0.04 0.00 -0.21 1.90 2.10 -1.43 -2.25 116.57 116.71 1lwm h LYS 79 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 1lwm h LYS 79 Cb 1.15 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.49 1lwm h LYS 79 CO 0.09 0.72 -0.68 -0.09 -2.00 0.00 0.00 179.45 177.49 1lwm h ARG 80 N 0.00 0.81 0.03 0.07 2.43 -1.39 0.15 114.38 116.48 1lwm h ARG 80 Ca -0.05 -0.59 -0.25 0.00 -0.81 0.00 0.00 59.98 58.28 1lwm h ARG 80 Cb 1.65 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 31.32 1lwm h ARG 80 CO 0.10 1.21 -1.04 -0.92 -1.51 0.00 0.00 179.97 177.81 1lwm h TYR 81 N 0.58 0.72 0.00 2.20 3.20 -1.45 -2.66 116.97 119.56 1lwm h TYR 81 Ca -0.02 -0.42 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 1lwm h TYR 81 Cb 1.29 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 1lwm h TYR 81 CO 0.08 1.25 -0.10 1.05 -1.64 0.00 0.00 178.16 178.80 1lwm h GLU 82 N 0.24 0.00 0.03 1.82 -0.00 -1.43 -2.45 114.58 112.80 1lwm h GLU 82 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1lwm h GLU 82 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.44 1lwm h GLU 82 CO 0.19 0.10 -0.02 1.03 -0.00 0.00 0.00 179.01 180.31 1lwm h SER 83 N 0.00 -0.04 -0.66 3.06 0.87 -0.68 -1.57 113.55 114.53 1lwm h SER 83 Ca -0.00 -0.66 -0.06 0.00 -1.23 0.00 0.00 61.79 59.83 1lwm h SER 83 Cb 0.98 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1lwm h SER 83 CO 0.01 0.71 0.17 -0.33 -0.53 0.00 0.00 176.83 176.86 1lwm h GLU 84 N -0.85 1.05 -0.45 2.24 4.39 -1.55 -2.05 114.58 117.35 1lwm h GLU 84 Ca -0.00 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 1lwm h GLU 84 Cb 0.70 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1lwm h GLU 84 CO 0.01 0.93 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.45 1lwm h LYS 85 N 0.97 0.83 -0.59 2.33 3.64 -1.54 -2.25 116.57 119.96 1lwm h LYS 85 Ca 0.21 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1lwm h LYS 85 Cb 0.35 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1lwm h LYS 85 CO 0.00 0.91 0.13 0.93 -2.27 0.00 0.00 179.45 179.14 1lwm h GLU 86 N 0.75 0.93 -0.44 1.90 4.39 -1.00 -1.97 114.58 119.13 1lwm h GLU 86 Ca 0.12 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1lwm h GLU 86 Cb 0.62 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1lwm h GLU 86 CO 0.04 0.84 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.49 1lwm h LEU 87 N 0.89 0.91 -0.00 1.33 3.38 -1.14 -0.44 115.31 120.23 1lwm h LEU 87 Ca 0.19 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1lwm h LEU 87 Cb 0.34 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1lwm h LEU 87 CO 0.00 1.09 0.00 0.22 0.09 0.00 0.00 178.44 179.85 1lwm h TYR 88 N 0.72 0.00 0.00 1.13 3.20 -1.16 0.33 116.97 121.19 1lwm h TYR 88 Ca 0.10 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1lwm h TYR 88 Cb 0.73 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1lwm h TYR 88 CO 0.05 0.08 -0.37 -0.97 -1.64 0.00 0.00 178.16 175.32 1lwm h ASN 89 N -0.07 0.00 1.70 -2.11 -1.24 -1.36 0.13 115.58 112.64 1lwm h ASN 89 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1lwm h ASN 89 Cb 0.08 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 1lwm h ASN 89 CO -0.00 0.37 -0.03 0.00 -1.29 0.00 0.00 177.43 176.48 1lwm h ALA 90 N 1.63 0.99 0.00 1.57 0.00 -0.69 0.35 119.26 123.11 1lwm h ALA 90 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lwm h ALA 90 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1lwm h ALA 90 CO 0.05 0.04 -1.46 -2.37 0.00 0.00 0.00 179.25 175.50 1lwm n THR 91 N -3.11 0.00 -0.00 0.00 5.66 0.07 -4.72 114.28 112.18 1lwm n THR 91 Ca 0.03 -0.26 -0.03 0.00 -3.05 0.00 0.00 64.05 60.74 1lwm n THR 91 Cb 0.48 0.49 -0.01 0.00 -1.55 0.00 0.00 70.33 69.74 1lwm n THR 91 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1lwm n LEU 92 N -1.86 1.29 0.00 1.09 7.94 0.41 -5.07 117.00 120.79 1lwm n LEU 92 Ca -0.00 0.19 0.15 0.00 -1.11 0.00 0.00 56.01 55.24 1lwm n LEU 92 Cb 0.43 -0.46 0.87 0.00 0.53 0.00 0.00 43.42 44.79 1lwm n LEU 92 CO 0.42 -0.57 1.04 0.00 -1.11 0.00 0.00 177.39 177.17