#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 3.45 -3.89 2.03 0.24 -1.26 -4.99 118.33 113.91 1lwm n VAL 2 Ca 0.00 -5.17 -0.13 0.00 -2.04 0.00 0.00 64.34 56.99 1lwm n VAL 2 Cb 0.00 -1.35 -0.15 0.00 -1.47 0.00 0.00 33.84 30.88 1lwm n VAL 2 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1lwm s THR 3 N -4.94 0.05 1.02 3.34 -4.23 -1.26 -5.15 115.64 104.47 1lwm s THR 3 Ca 0.48 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.86 1lwm s THR 3 Cb 0.34 -0.08 0.06 0.00 1.34 0.00 0.00 72.50 74.16 1lwm s THR 3 CO -0.21 0.04 0.22 -2.65 -0.54 0.00 0.00 174.62 171.48 1lwm n PRO 4 N 3.35 -0.84 -3.58 3.99 -0.02 -1.26 -4.01 135.00 132.63 1lwm n PRO 4 Ca -0.16 -0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 60.77 1lwm n PRO 4 Cb 0.57 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.81 -1.82 -4.76 -0.52 5.12 -1.26 -4.98 116.66 106.64 1lwm n ARG 5 Ca 0.04 1.24 -0.28 0.00 -1.93 0.00 0.00 57.85 56.91 1lwm n ARG 5 Cb 0.57 -2.24 -0.14 0.00 -1.16 0.00 0.00 32.46 29.49 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1lwm s GLU 6 N -3.24 1.61 0.00 5.56 4.04 -1.26 -5.15 118.70 120.27 1lwm s GLU 6 Ca 0.26 -1.07 0.00 0.00 0.04 0.00 0.00 54.97 54.20 1lwm s GLU 6 Cb -0.03 -1.79 0.00 0.00 0.02 0.00 0.00 34.13 32.33 1lwm s GLU 6 CO 0.88 0.46 0.00 -0.35 -1.84 0.00 0.00 175.26 174.41 1lwm n PRO 7 N 1.72 0.09 -2.38 -4.83 -0.04 -1.26 -4.82 135.00 123.47 1lwm n PRO 7 Ca -0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1lwm n PRO 7 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.68 -1.10 -3.97 0.54 3.00 -1.26 -5.02 118.16 109.67 1lwm n LYS 8 Ca 0.00 1.28 -0.35 0.00 -0.00 0.00 0.00 58.31 59.24 1lwm n LYS 8 Cb 0.00 -4.06 -0.11 0.00 0.00 0.00 0.00 35.03 30.86 1lwm n LYS 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1lwm s LYS 9 N -2.52 3.80 0.00 1.64 3.01 -1.26 -5.10 119.74 119.30 1lwm s LYS 9 Ca 0.07 -0.43 0.00 0.00 -1.01 0.00 0.00 55.97 54.60 1lwm s LYS 9 Cb -0.02 -3.22 0.00 0.00 -1.01 0.00 0.00 37.83 33.58 1lwm s LYS 9 CO 0.46 0.07 0.00 2.89 0.51 0.00 0.00 175.35 179.28 1lwm n ARG 10 N 4.12 1.22 -1.50 1.68 1.85 -1.26 -4.89 116.66 117.87 1lwm n ARG 10 Ca -0.16 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.42 1lwm n ARG 10 Cb 0.52 0.00 -0.21 0.00 -1.05 0.00 0.00 32.46 31.72 1lwm n ARG 10 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1lwm n THR 11 N -0.92 -0.00 -4.16 8.89 -2.24 -1.26 -4.85 114.28 109.74 1lwm n THR 11 Ca 0.00 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 1lwm n THR 11 Cb 0.00 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 1lwm n THR 11 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1lwm s THR 12 N 2.49 4.81 0.30 4.28 -1.32 -1.26 -5.00 115.64 119.94 1lwm s THR 12 Ca 1.33 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.75 1lwm s THR 12 Cb -0.95 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 1lwm s THR 12 CO 0.55 0.61 0.00 0.54 -2.21 0.00 0.00 174.62 174.10 1lwm n ARG 13 N 2.11 -2.42 -3.68 7.08 5.12 -1.26 -4.92 116.66 118.69 1lwm n ARG 13 Ca -0.19 1.65 -0.13 0.00 -1.93 0.00 0.00 57.85 57.25 1lwm n ARG 13 Cb 0.54 -2.96 -0.13 0.00 -1.16 0.00 0.00 32.46 28.75 1lwm n ARG 13 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1lwm s LYS 14 N -2.29 0.17 0.40 5.56 1.02 -1.26 -5.15 119.74 118.19 1lwm s LYS 14 Ca 0.00 0.70 0.07 0.00 0.02 0.00 0.00 55.97 56.76 1lwm s LYS 14 Cb 0.00 -0.04 0.07 0.00 -0.52 0.00 0.00 37.83 37.33 1lwm s LYS 14 CO 0.00 -0.25 0.55 1.63 -0.92 0.00 0.00 175.35 176.36 1lwm n LYS 15 N 5.03 0.72 0.00 1.68 5.02 -1.26 -4.34 118.16 125.01 1lwm n LYS 15 Ca -0.12 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1lwm n LYS 15 Cb 0.51 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1lwm n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1lwm n LYS 16 N -1.87 0.00 -3.77 1.97 5.02 -1.26 -3.81 118.16 114.43 1lwm n LYS 16 Ca 0.11 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.07 1lwm n LYS 16 Cb 0.41 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.32 1lwm n LYS 16 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lwm s ASP 17 N -4.00 5.24 1.11 4.39 2.15 -1.26 -5.09 116.67 119.21 1lwm s ASP 17 Ca 0.00 -3.43 -0.10 0.00 0.43 0.00 0.00 52.55 49.45 1lwm s ASP 17 Cb 0.00 -1.78 0.14 0.00 -0.30 0.00 0.00 42.92 40.98 1lwm s ASP 17 CO 0.00 -0.21 0.55 -0.81 -0.17 0.00 0.00 175.17 174.53 1lwm n PRO 18 N 2.64 -1.90 -3.22 4.34 -0.04 -1.25 -4.64 135.00 130.92 1lwm n PRO 18 Ca 0.15 -0.87 -0.12 0.00 -0.04 0.00 0.00 63.50 62.62 1lwm n PRO 18 Cb 0.36 -0.79 0.01 0.00 -0.04 0.00 0.00 33.50 33.04 1lwm n PRO 18 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lwm n ASN 19 N -3.86 -6.95 -3.48 3.54 3.02 -1.26 -4.99 115.26 101.28 1lwm n ASN 19 Ca 0.07 -0.13 -0.27 0.00 -0.03 0.00 0.00 54.58 54.22 1lwm n ASN 19 Cb 0.29 -4.14 -0.10 0.00 -0.61 0.00 0.00 39.78 35.22 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lwm n ALA 20 N -1.43 2.96 -1.77 5.41 0.00 -1.26 -4.78 120.51 119.64 1lwm n ALA 20 Ca -0.05 -3.42 -0.39 0.00 0.00 0.00 0.00 53.44 49.57 1lwm n ALA 20 Cb 0.55 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 1lwm n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1lwm s PRO 21 N -0.36 4.21 0.00 0.00 0.04 -1.26 -5.01 135.00 132.61 1lwm s PRO 21 Ca 0.32 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1lwm s PRO 21 Cb 0.03 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1lwm s PRO 21 CO -0.19 -0.24 0.25 1.17 0.04 0.00 0.00 177.00 178.03 1lwm n LYS 22 N 0.45 0.00 -2.74 4.56 3.00 -1.26 -4.89 118.16 117.29 1lwm n LYS 22 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.25 1lwm n LYS 22 Cb 0.44 -0.70 0.06 0.00 0.00 0.00 0.00 35.03 34.84 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 -0.35 0.81 0.00 1.64 0.63 -1.26 -5.14 116.66 112.98 1lwm n ARG 23 Ca 0.00 -1.72 0.00 0.00 -0.92 0.00 0.00 57.85 55.21 1lwm n ARG 23 Cb 0.00 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 31.66 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 1.23 0.00 -2.76 5.13 0.00 -1.26 -4.95 120.51 117.90 1lwm n ALA 24 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1lwm n ALA 24 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 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 0.83 0.11 0.00 1.43 -1.26 -5.07 118.68 114.72 1lwm s LEU 25 Ca 0.00 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 1lwm s LEU 25 Cb 0.00 1.20 -0.04 0.00 0.03 0.00 0.00 46.19 47.38 1lwm s LEU 25 CO 0.00 -1.09 0.04 -0.44 0.23 0.00 0.00 176.35 175.09 1lwm s SER 26 N -3.14 0.35 0.61 2.29 0.01 -1.26 -4.55 113.70 108.01 1lwm s SER 26 Ca 0.31 -1.14 0.29 0.00 1.31 0.00 0.00 55.95 56.72 1lwm s SER 26 Cb 0.02 0.27 1.58 0.00 0.21 0.00 0.00 66.02 68.10 1lwm s SER 26 CO 0.14 -0.69 1.96 0.00 0.41 0.00 0.00 173.24 175.06 1lwm h ALA 27 N 2.94 1.86 0.07 1.44 0.00 -1.86 0.20 119.26 123.91 1lwm h ALA 27 Ca -0.35 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 1lwm h ALA 27 Cb 1.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1lwm h ALA 27 CO 0.61 -0.50 -1.10 -0.92 0.00 0.00 0.00 179.25 177.33 1lwm h TYR 28 N 0.00 0.61 0.00 0.00 3.20 -1.95 -2.58 116.97 116.25 1lwm h TYR 28 Ca 0.13 -0.39 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 1lwm h TYR 28 Cb 0.85 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1lwm h TYR 28 CO 0.00 1.24 -0.46 0.52 -1.64 0.00 0.00 178.16 177.83 1lwm h MET 29 N 0.17 0.00 0.07 1.82 2.86 -1.03 0.13 114.93 118.95 1lwm h MET 29 Ca -0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1lwm h MET 29 Cb 1.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1lwm h MET 29 CO 0.19 0.46 -0.04 0.74 1.06 0.00 0.00 176.91 179.32 1lwm h PHE 30 N 0.00 -0.09 0.00 -0.22 0.04 -1.39 0.97 116.94 116.24 1lwm h PHE 30 Ca -0.00 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1lwm h PHE 30 Cb 0.95 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 1lwm h PHE 30 CO 0.00 0.43 -0.11 0.35 -0.60 0.00 0.00 178.31 178.38 1lwm h PHE 31 N -0.92 0.00 0.01 -0.55 3.04 -1.51 -2.09 116.94 114.92 1lwm h PHE 31 Ca -0.01 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.65 1lwm h PHE 31 Cb 0.56 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.03 1lwm h PHE 31 CO 0.13 0.11 -1.62 0.00 -2.02 0.00 0.00 178.31 174.91 1lwm h ALA 32 N 1.89 0.68 0.00 2.41 0.00 -0.81 -2.25 119.26 121.18 1lwm h ALA 32 Ca -0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 54.91 53.42 1lwm h ALA 32 Cb 0.57 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1lwm h ALA 32 CO 0.01 1.51 -0.56 -0.91 0.00 0.00 0.00 179.25 179.31 1lwm h ASN 33 N 0.01 0.00 0.04 0.00 -0.26 -0.56 -1.06 115.58 113.74 1lwm h ASN 33 Ca -0.25 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.18 1lwm h ASN 33 Cb 1.98 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.21 1lwm h ASN 33 CO 0.09 0.56 -1.70 1.21 -1.06 0.00 0.00 177.43 176.52 1lwm n GLU 34 N -3.48 0.63 0.19 0.81 2.13 -0.81 -3.92 120.64 116.19 1lwm n GLU 34 Ca 0.00 0.42 0.03 0.00 0.66 0.00 0.00 57.16 58.28 1lwm n GLU 34 Cb 0.65 -1.69 0.36 0.00 0.27 0.00 0.00 31.44 31.03 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 0.69 4.31 2.35 -1.51 -2.19 115.58 118.62 1lwm h ASN 35 Ca -0.43 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1lwm h ASN 35 Cb 1.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.96 1lwm h ASN 35 CO -0.14 0.39 -0.15 -0.09 -1.65 0.00 0.00 177.43 175.80 1lwm h ARG 36 N 0.00 0.00 0.04 0.81 2.43 -1.36 -2.24 114.38 114.06 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1lwm h ARG 36 Cb 0.74 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1lwm h ARG 36 CO 0.05 0.15 -1.57 -0.44 -1.51 0.00 0.00 179.97 176.64 1lwm h ASP 37 N 0.00 0.14 -0.65 -3.80 3.32 -1.53 -2.17 116.42 111.73 1lwm h ASP 37 Ca -0.00 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1lwm h ASP 37 Cb 0.53 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1lwm h ASP 37 CO 0.02 1.20 0.09 0.40 -1.72 0.00 0.00 179.24 179.23 1lwm h ILE 38 N 0.02 1.26 0.16 0.35 2.04 -1.10 0.18 117.51 120.43 1lwm h ILE 38 Ca -0.24 -1.05 -0.28 0.00 1.00 0.00 0.00 64.86 64.28 1lwm h ILE 38 Cb 1.97 0.68 0.03 0.00 -0.74 0.00 0.00 36.82 38.76 1lwm h ILE 38 CO 0.11 0.39 -1.19 0.58 0.00 0.00 0.00 178.15 178.04 1lwm h VAL 39 N 1.00 1.33 0.00 1.67 2.07 -1.54 -2.58 116.25 118.21 1lwm h VAL 39 Ca 0.20 -2.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 1lwm h VAL 39 Cb 0.46 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1lwm h VAL 39 CO 0.02 0.75 -0.12 0.03 0.02 0.00 0.00 177.57 178.27 1lwm h ARG 40 N 0.09 0.00 0.24 1.57 3.08 -1.32 0.23 114.38 118.28 1lwm h ARG 40 Ca -0.19 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.52 1lwm h ARG 40 Cb 1.90 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.99 1lwm h ARG 40 CO 0.23 0.12 -1.48 0.77 -1.07 0.00 0.00 179.97 178.53 1lwm h SER 41 N 0.00 0.80 1.44 7.04 0.02 -0.64 -1.79 113.55 120.42 1lwm h SER 41 Ca -0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1lwm h SER 41 Cb 0.40 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1lwm h SER 41 CO 0.02 1.69 0.00 -0.62 -1.14 0.00 0.00 176.83 176.77 1lwm n GLU 42 N -3.69 0.24 -2.97 3.45 1.02 -0.96 -4.36 120.64 113.37 1lwm n GLU 42 Ca -0.17 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 1lwm n GLU 42 Cb 1.10 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1lwm n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1lwm n ASN 43 N -2.20 -2.08 0.00 1.62 3.02 0.77 -4.97 115.26 111.42 1lwm n ASN 43 Ca 0.06 -2.86 0.05 0.00 -0.03 0.00 0.00 54.58 51.80 1lwm n ASN 43 Cb 0.42 0.88 0.24 0.00 -0.61 0.00 0.00 39.78 40.71 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 2.35 0.12 0.04 3.52 -0.04 -0.67 -2.61 135.00 137.70 1lwm n PRO 44 Ca 0.19 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1lwm n PRO 44 Cb 0.55 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.82 1lwm n PRO 44 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1lwm h ASP 45 N 0.00 0.40 -5.92 3.54 1.82 -1.94 -3.44 116.42 110.89 1lwm h ASP 45 Ca 0.00 -0.09 -0.51 0.00 -0.39 0.00 0.00 57.03 56.04 1lwm h ASP 45 Cb 0.10 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 1lwm h ASP 45 CO 0.00 0.54 -0.19 2.30 -1.61 0.00 0.00 179.24 180.28 1lwm n ILE 46 N -4.24 0.00 -3.75 2.25 -5.35 -1.08 -5.15 119.36 102.04 1lwm n ILE 46 Ca 0.00 -1.95 0.00 0.00 -0.27 0.00 0.00 62.75 60.54 1lwm n ILE 46 Cb 0.29 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.86 0.00 -0.02 7.28 -2.24 -1.26 -4.93 114.28 111.26 1lwm n THR 47 Ca 0.04 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.05 1lwm n THR 47 Cb 0.57 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.43 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 0.99 0.00 -0.98 4.78 3.57 -1.93 -1.27 116.94 122.09 1lwm h PHE 48 Ca 0.00 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.87 1lwm h PHE 48 Cb 0.00 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 38.56 1lwm h PHE 48 CO 0.00 0.00 0.39 0.41 -2.23 0.00 0.00 178.31 176.88 1lwm n GLY 49 N -1.57 -0.90 0.00 2.40 0.00 -1.26 -1.51 105.19 102.35 1lwm n GLY 49 Ca 0.13 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 -5.28 3.71 0.04 1.61 0.00 -0.65 -4.59 117.38 112.22 1lwm n GLN 50 Ca 0.33 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 57.14 1lwm n GLN 50 Cb 1.12 -0.40 -0.12 0.00 0.00 0.00 0.00 30.24 30.84 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 1.37 0.01 -0.39 2.07 -0.87 -1.09 116.25 117.35 1lwm h VAL 51 Ca 0.00 -2.28 -0.21 0.00 0.82 0.00 0.00 66.70 65.03 1lwm h VAL 51 Cb 0.00 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1lwm h VAL 51 CO 0.00 0.68 -0.91 1.23 0.02 0.00 0.00 177.57 178.59 1lwm h GLY 52 N 0.05 0.27 2.00 2.17 0.00 -1.49 -1.78 103.07 104.28 1lwm h GLY 52 Ca -0.13 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 1lwm h GLY 52 CO 0.17 0.43 -0.67 0.50 0.00 0.00 0.00 176.54 176.98 1lwm h LYS 53 N 0.13 0.00 0.03 4.80 6.56 -1.66 -1.48 116.57 124.96 1lwm h LYS 53 Ca -0.05 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.45 1lwm h LYS 53 Cb 1.54 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.21 1lwm h LYS 53 CO 0.14 0.67 -0.36 0.87 -2.06 0.00 0.00 179.45 178.70 1lwm h LYS 54 N 0.00 0.19 -0.02 3.15 1.57 -1.20 -2.42 116.57 117.84 1lwm h LYS 54 Ca -0.01 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.44 1lwm h LYS 54 Cb 1.48 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1lwm h LYS 54 CO 0.09 1.03 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.51 1lwm h LEU 55 N -0.53 0.05 -0.34 2.94 3.38 -1.41 -2.37 115.31 117.03 1lwm h LEU 55 Ca -0.05 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1lwm h LEU 55 Cb 1.18 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1lwm h LEU 55 CO 0.07 0.46 -0.21 1.23 0.09 0.00 0.00 178.44 180.08 1lwm h GLY 56 N 1.25 0.80 1.38 0.83 0.00 -1.31 -1.10 103.07 104.91 1lwm h GLY 56 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1lwm h GLY 56 CO 0.06 0.68 0.02 0.83 0.00 0.00 0.00 176.54 178.12 1lwm h GLU 57 N 0.51 0.77 -0.19 4.80 5.08 -1.27 -1.42 114.58 122.86 1lwm h GLU 57 Ca 0.07 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 1lwm h GLU 57 Cb 0.76 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1lwm h GLU 57 CO 0.06 0.76 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.20 1lwm h LYS 58 N 0.72 0.43 -0.33 2.33 3.64 -1.31 -2.63 116.57 119.42 1lwm h LYS 58 Ca 0.14 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1lwm h LYS 58 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1lwm h LYS 58 CO 0.02 0.77 -0.06 2.35 -2.27 0.00 0.00 179.45 180.25 1lwm h TRP 59 N 0.36 0.70 -0.87 1.91 2.91 -0.69 0.49 115.95 120.75 1lwm h TRP 59 Ca 0.03 -0.14 0.04 0.00 1.13 0.00 0.00 58.89 59.95 1lwm h TRP 59 Cb 0.87 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 29.30 1lwm h TRP 59 CO 0.03 0.79 0.57 0.87 -1.03 0.00 0.00 178.44 179.66 1lwm h LYS 60 N 0.41 1.03 -0.01 2.65 1.57 -1.16 0.31 116.57 121.37 1lwm h LYS 60 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1lwm h LYS 60 Cb 0.55 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1lwm h LYS 60 CO 0.03 0.68 -0.19 0.00 -0.57 0.00 0.00 179.45 179.40 1lwm n ALA 61 N -2.40 2.94 -2.44 3.86 0.00 -1.00 -4.88 120.51 116.59 1lwm n ALA 61 Ca 0.12 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1lwm n ALA 61 Cb 0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.34 4.24 -0.35 0.00 0.05 0.17 -4.89 118.68 115.56 1lwm s LEU 62 Ca 0.28 1.78 -0.33 0.00 0.05 0.00 0.00 54.13 55.91 1lwm s LEU 62 Cb 0.20 -3.55 -0.14 0.00 -2.05 0.00 0.00 46.19 40.65 1lwm s LEU 62 CO 0.46 -0.65 1.12 0.41 -0.55 0.00 0.00 176.35 177.15 1lwm n THR 63 N 4.89 0.00 0.32 5.48 -1.04 -1.26 -4.72 114.28 117.94 1lwm n THR 63 Ca 0.12 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.30 1lwm n THR 63 Cb 0.46 -0.35 0.87 0.00 -1.82 0.00 0.00 70.33 69.49 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 3.56 0.00 -0.10 -2.82 0.11 -1.91 0.57 132.00 131.41 1lwm h PRO 64 Ca -0.30 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.58 1lwm h PRO 64 Cb 0.95 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.07 1lwm h PRO 64 CO 0.68 0.00 -0.84 1.05 -0.21 0.00 0.00 178.00 178.68 1lwm h GLU 65 N 0.00 0.69 -0.05 1.05 4.11 -1.99 0.12 114.58 118.52 1lwm h GLU 65 Ca 0.02 -0.61 -0.15 0.00 0.07 0.00 0.00 59.36 58.69 1lwm h GLU 65 Cb 0.60 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1lwm h GLU 65 CO -0.00 1.22 -0.63 1.49 0.07 0.00 0.00 179.01 181.16 1lwm h GLU 66 N 0.45 0.18 0.00 1.06 4.81 -1.22 -2.98 114.58 116.88 1lwm h GLU 66 Ca -0.07 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1lwm h GLU 66 Cb 1.47 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1lwm h GLU 66 CO 0.17 0.75 -0.58 1.57 -0.73 0.00 0.00 179.01 180.18 1lwm h LYS 67 N 0.13 0.00 -0.93 1.92 2.10 -1.45 -3.39 116.57 114.97 1lwm h LYS 67 Ca -0.01 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.75 1lwm h LYS 67 Cb 1.13 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.34 1lwm h LYS 67 CO 0.09 0.00 -0.46 1.04 -2.00 0.00 0.00 179.45 178.12 1lwm n GLN 68 N -2.18 -0.32 -0.31 0.07 6.02 0.43 0.43 117.38 121.51 1lwm n GLN 68 Ca 0.03 1.41 0.06 0.00 -0.01 0.00 0.00 57.00 58.50 1lwm n GLN 68 Cb 0.45 -2.08 0.22 0.00 1.02 0.00 0.00 30.24 29.85 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 0.75 0.41 -1.09 0.11 -1.77 -2.18 132.00 128.23 1lwm h PRO 69 Ca 0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1lwm h PRO 69 Cb 0.46 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1lwm h PRO 69 CO -0.89 0.50 -0.29 1.88 -0.21 0.00 0.00 178.00 178.99 1lwm h TYR 70 N 0.77 -0.76 -1.00 0.65 0.05 -0.28 -1.64 116.97 114.76 1lwm h TYR 70 Ca 0.46 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.41 1lwm h TYR 70 Cb 0.55 0.28 -0.10 0.00 1.01 0.00 0.00 36.73 38.47 1lwm h TYR 70 CO -0.05 -0.43 0.62 1.49 -1.05 0.00 0.00 178.16 178.73 1lwm h GLU 71 N -0.68 0.78 -0.41 4.88 4.22 -0.86 0.23 114.58 122.74 1lwm h GLU 71 Ca -0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.32 1lwm h GLU 71 Cb 0.58 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1lwm h GLU 71 CO 0.02 0.51 0.10 0.00 -2.18 0.00 0.00 179.01 177.46 1lwm h ALA 72 N 1.62 1.41 0.00 2.92 0.00 -0.88 -1.26 119.26 123.07 1lwm h ALA 72 Ca 0.55 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 1lwm h ALA 72 Cb 0.82 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1lwm h ALA 72 CO -0.34 0.43 -0.70 -0.22 0.00 0.00 0.00 179.25 178.43 1lwm h LYS 73 N 0.60 0.00 0.00 0.00 3.64 0.32 -2.45 116.57 118.68 1lwm h LYS 73 Ca 0.14 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1lwm h LYS 73 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1lwm h LYS 73 CO -0.00 0.70 -0.46 0.00 -2.27 0.00 0.00 179.45 177.42 1lwm h ALA 74 N 1.30 0.91 0.07 5.00 0.00 -0.32 -0.62 119.26 125.61 1lwm h ALA 74 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 1lwm h ALA 74 Cb 1.24 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.98 1lwm h ALA 74 CO 0.09 0.57 -1.09 0.37 0.00 0.00 0.00 179.25 179.19 1lwm h GLN 75 N 0.00 0.61 -0.02 0.00 5.75 -1.09 0.42 115.11 120.78 1lwm h GLN 75 Ca -0.00 -0.75 -0.13 0.00 -0.15 0.00 0.00 58.65 57.61 1lwm h GLN 75 Cb 1.04 0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 1lwm h GLN 75 CO 0.06 1.33 -0.58 0.00 -2.65 0.00 0.00 178.83 176.99 1lwm h ALA 76 N 0.31 0.99 0.00 3.38 0.00 -1.39 -2.34 119.26 120.21 1lwm h ALA 76 Ca -0.16 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1lwm h ALA 76 Cb 1.77 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1lwm h ALA 76 CO 0.21 0.72 -0.82 -0.44 0.00 0.00 0.00 179.25 178.93 1lwm h ASP 77 N 0.05 0.00 0.57 0.00 5.19 -1.13 -2.94 116.42 118.17 1lwm h ASP 77 Ca -0.01 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 1lwm h ASP 77 Cb 1.04 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1lwm h ASP 77 CO 0.08 0.09 -0.67 0.50 -3.12 0.00 0.00 179.24 176.12 1lwm h LYS 78 N 0.00 0.08 0.00 3.56 3.11 0.09 -0.93 116.57 122.49 1lwm h LYS 78 Ca -0.02 -0.07 -0.24 0.00 -2.81 0.00 0.00 60.65 57.52 1lwm h LYS 78 Cb 1.08 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.29 1lwm h LYS 78 CO 0.01 0.72 -1.28 -0.22 -2.81 0.00 0.00 179.45 175.87 1lwm h LYS 79 N 0.06 0.00 0.00 1.90 3.64 -1.50 -1.97 116.57 118.70 1lwm h LYS 79 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1lwm h LYS 79 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1lwm h LYS 79 CO 0.09 0.75 -0.40 0.00 -2.27 0.00 0.00 179.45 177.62 1lwm h ARG 80 N 0.00 0.00 0.03 1.90 3.08 -1.44 -1.24 114.38 116.71 1lwm h ARG 80 Ca -0.13 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.61 1lwm h ARG 80 Cb 1.85 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.85 1lwm h ARG 80 CO 0.10 0.40 -1.84 0.98 -1.07 0.00 0.00 179.97 178.54 1lwm n TYR 81 N -3.28 0.98 0.13 3.04 4.19 -0.36 -3.22 117.16 118.63 1lwm n TYR 81 Ca 0.02 0.31 0.01 0.00 3.31 0.00 0.00 57.90 61.54 1lwm n TYR 81 Cb 0.64 -1.16 0.01 0.00 0.49 0.00 0.00 39.34 39.31 1lwm n TYR 81 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 1lwm h GLU 82 N 0.02 0.00 -0.00 2.98 -0.00 -1.39 -2.29 114.58 113.89 1lwm h GLU 82 Ca -0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.01 1lwm h GLU 82 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.78 1lwm h GLU 82 CO 0.07 0.58 -0.04 1.03 -0.00 0.00 0.00 179.01 180.66 1lwm h SER 83 N 0.00 0.04 -0.63 3.06 0.87 -1.37 -1.83 113.55 113.69 1lwm h SER 83 Ca -0.01 -0.78 -0.07 0.00 -1.23 0.00 0.00 61.79 59.70 1lwm h SER 83 Cb 1.44 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.37 1lwm h SER 83 CO 0.08 0.81 0.12 -0.33 -0.53 0.00 0.00 176.83 176.97 1lwm h GLU 84 N -0.73 1.04 -0.64 2.24 5.08 -1.65 -2.25 114.58 117.68 1lwm h GLU 84 Ca -0.00 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1lwm h GLU 84 Cb 0.82 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1lwm h GLU 84 CO 0.01 0.96 0.11 -0.22 -1.00 0.00 0.00 179.01 178.87 1lwm h LYS 85 N 0.96 1.05 -0.84 2.33 3.64 -1.50 -2.17 116.57 120.03 1lwm h LYS 85 Ca 0.19 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1lwm h LYS 85 Cb 0.42 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1lwm h LYS 85 CO 0.01 0.96 0.41 0.93 -2.27 0.00 0.00 179.45 179.49 1lwm h GLU 86 N 0.98 1.20 -0.51 1.90 4.39 -1.07 -2.12 114.58 119.36 1lwm h GLU 86 Ca 0.20 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1lwm h GLU 86 Cb 0.42 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1lwm h GLU 86 CO 0.01 0.92 0.08 -0.07 -1.16 0.00 0.00 179.01 178.79 1lwm h LEU 87 N 1.19 0.82 -0.13 1.33 4.07 -1.13 -1.80 115.31 119.67 1lwm h LEU 87 Ca 0.29 -0.26 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1lwm h LEU 87 Cb 0.11 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1lwm h LEU 87 CO -0.04 0.88 0.03 0.22 -1.08 0.00 0.00 178.44 178.45 1lwm h TYR 88 N 0.73 0.05 -0.36 1.13 3.20 -1.08 -0.27 116.97 120.38 1lwm h TYR 88 Ca 0.16 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1lwm h TYR 88 Cb 0.41 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1lwm h TYR 88 CO 0.03 0.02 0.12 -0.97 -1.64 0.00 0.00 178.16 175.72 1lwm h ASN 89 N 0.08 0.46 1.13 -2.11 -1.24 -1.31 0.21 115.58 112.81 1lwm h ASN 89 Ca 0.06 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 1lwm h ASN 89 Cb 0.05 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1lwm h ASN 89 CO -0.07 0.44 -0.19 0.00 -1.29 0.00 0.00 177.43 176.31 1lwm h ALA 90 N 1.63 0.97 0.00 1.57 0.00 -0.63 -1.15 119.26 121.65 1lwm h ALA 90 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1lwm h ALA 90 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1lwm h ALA 90 CO -0.01 0.24 -1.28 0.25 0.00 0.00 0.00 179.25 178.45 1lwm n THR 91 N -3.29 0.14 0.02 0.00 -2.24 -0.17 -4.16 114.28 104.57 1lwm n THR 91 Ca 0.01 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1lwm n THR 91 Cb 0.45 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 1lwm n THR 91 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1lwm n LEU 92 N -2.03 0.50 0.00 3.22 0.00 0.64 -5.08 117.00 114.25 1lwm n LEU 92 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 56.01 56.33 1lwm n LEU 92 Cb 0.47 0.08 0.61 0.00 0.00 0.00 0.00 43.42 44.58 1lwm n LEU 92 CO 0.42 0.08 0.80 0.00 0.00 0.00 0.00 177.39 178.69