#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 0.00 0.26 1.12 3.14 -1.26 -5.07 118.33 116.52 1lwm n VAL 2 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1lwm n VAL 2 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1lwm n VAL 2 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1lwm h THR 3 N 0.00 0.37 -3.73 1.55 2.02 -2.12 -3.45 112.91 107.56 1lwm h THR 3 Ca 0.00 -0.42 -0.44 0.00 0.77 0.00 0.00 66.41 66.32 1lwm h THR 3 Cb 0.00 0.52 0.17 0.00 -1.74 0.00 0.00 68.15 67.10 1lwm h THR 3 CO 0.00 0.05 0.16 -2.16 0.37 0.00 0.00 175.52 173.95 1lwm s PRO 4 N -4.77 -0.22 -0.32 6.66 0.04 -1.26 -5.02 135.00 130.11 1lwm s PRO 4 Ca -0.14 0.30 0.15 0.00 0.04 0.00 0.00 61.00 61.35 1lwm s PRO 4 Cb 0.02 -1.68 0.47 0.00 0.04 0.00 0.00 34.50 33.35 1lwm s PRO 4 CO 0.50 -3.12 1.08 0.54 0.04 0.00 0.00 177.00 176.03 1lwm n ARG 5 N -4.41 2.29 0.21 4.56 3.00 -1.26 -4.91 116.66 116.13 1lwm n ARG 5 Ca 0.08 -3.77 -0.15 0.00 -0.01 0.00 0.00 57.85 54.00 1lwm n ARG 5 Cb 0.58 -1.77 -0.07 0.00 0.00 0.00 0.00 32.46 31.20 1lwm n ARG 5 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1lwm h GLU 6 N 2.63 -0.62 -0.12 5.56 3.07 -1.99 -3.10 114.58 120.01 1lwm h GLU 6 Ca 0.06 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 1lwm h GLU 6 Cb 1.23 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.22 1lwm h GLU 6 CO 0.52 -0.41 -0.30 -1.35 -1.40 0.00 0.00 179.01 176.07 1lwm h PRO 7 N -0.64 -0.37 -1.55 2.33 0.11 -2.05 -3.48 132.00 126.35 1lwm h PRO 7 Ca -0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1lwm h PRO 7 Cb 0.58 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1lwm h PRO 7 CO -0.04 -0.24 -0.38 1.63 -0.21 0.00 0.00 178.00 178.76 1lwm n LYS 8 N -5.40 -1.92 -4.04 1.05 5.02 -1.18 -5.10 118.16 106.59 1lwm n LYS 8 Ca -0.03 1.42 -0.12 0.00 -2.02 0.00 0.00 58.31 57.56 1lwm n LYS 8 Cb 0.32 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1lwm n LYS 8 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1lwm s LYS 9 N -4.68 1.74 -0.24 1.97 0.00 -1.26 -5.15 119.74 112.13 1lwm s LYS 9 Ca 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 55.97 54.37 1lwm s LYS 9 Cb 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 37.83 38.26 1lwm s LYS 9 CO 0.00 -0.72 0.06 1.03 0.00 0.00 0.00 175.35 175.72 1lwm s ARG 10 N -3.46 3.69 0.45 1.78 0.52 -1.26 -5.10 118.95 115.57 1lwm s ARG 10 Ca 0.27 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1lwm s ARG 10 Cb -0.00 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1lwm s ARG 10 CO 0.15 -0.11 0.65 -0.08 0.02 0.00 0.00 175.30 175.93 1lwm s THR 11 N 1.40 3.76 -0.34 0.02 -1.32 -1.26 -5.08 115.64 112.82 1lwm s THR 11 Ca 0.05 -0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 59.85 1lwm s THR 11 Cb -0.15 -3.37 0.04 0.00 -1.51 0.00 0.00 72.50 67.51 1lwm s THR 11 CO 0.03 -0.24 0.10 -0.89 -2.21 0.00 0.00 174.62 171.42 1lwm s THR 12 N -2.52 3.78 -0.53 5.08 2.01 -1.26 -4.97 115.64 117.23 1lwm s THR 12 Ca 0.49 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1lwm s THR 12 Cb -0.10 -3.14 0.44 0.00 0.01 0.00 0.00 72.50 69.71 1lwm s THR 12 CO 0.37 -0.17 1.61 -2.11 -0.69 0.00 0.00 174.62 173.63 1lwm n ARG 13 N 4.81 3.13 -3.47 4.92 1.85 -1.26 -4.98 116.66 121.66 1lwm n ARG 13 Ca -0.12 -3.80 -0.11 0.00 -1.00 0.00 0.00 57.85 52.82 1lwm n ARG 13 Cb 0.45 -2.28 -0.02 0.00 -1.05 0.00 0.00 32.46 29.55 1lwm n ARG 13 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1lwm s LYS 14 N -3.74 1.02 0.00 2.89 -0.14 -1.26 -5.12 119.74 113.39 1lwm s LYS 14 Ca 0.56 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 1lwm s LYS 14 Cb 0.45 0.47 0.00 0.00 -1.68 0.00 0.00 37.83 37.07 1lwm s LYS 14 CO -0.07 -0.43 0.00 1.63 -0.76 0.00 0.00 175.35 175.72 1lwm n LYS 15 N -0.17 0.00 -1.92 1.68 5.02 -1.26 -5.08 118.16 116.43 1lwm n LYS 15 Ca -0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.77 1lwm n LYS 15 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.65 1lwm n LYS 15 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1lwm s LYS 16 N -0.65 3.63 1.02 1.97 1.02 -1.26 -4.96 119.74 120.51 1lwm s LYS 16 Ca 0.00 2.23 -0.16 0.00 0.02 0.00 0.00 55.97 58.06 1lwm s LYS 16 Cb 0.00 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1lwm s LYS 16 CO 0.00 -0.80 0.15 -0.25 -0.92 0.00 0.00 175.35 173.54 1lwm n ASP 17 N -0.35 -2.40 -3.05 2.83 9.92 -1.26 -4.99 116.55 117.25 1lwm n ASP 17 Ca 0.06 0.14 -0.16 0.00 -0.53 0.00 0.00 54.79 54.31 1lwm n ASP 17 Cb 0.44 -1.07 0.13 0.00 -0.64 0.00 0.00 41.12 39.97 1lwm n ASP 17 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1lwm n PRO 18 N -1.56 -2.14 -3.46 -0.24 -0.04 -1.26 -4.58 135.00 121.71 1lwm n PRO 18 Ca 0.04 -0.91 -0.36 0.00 -0.04 0.00 0.00 63.50 62.23 1lwm n PRO 18 Cb 0.58 -0.86 0.04 0.00 -0.04 0.00 0.00 33.50 33.22 1lwm n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1lwm n ASN 19 N -3.98 -5.50 -3.63 3.54 6.94 -1.26 -4.99 115.26 106.37 1lwm n ASN 19 Ca 0.08 -0.11 -0.09 0.00 -0.02 0.00 0.00 54.58 54.44 1lwm n ASN 19 Cb 0.31 -1.57 -0.07 0.00 -2.36 0.00 0.00 39.78 36.09 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1lwm s ALA 20 N -1.39 -1.99 -0.09 -2.53 0.00 -1.24 -4.79 121.76 109.73 1lwm s ALA 20 Ca 0.35 1.80 -0.30 0.00 0.00 0.00 0.00 51.96 53.82 1lwm s ALA 20 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1lwm s ALA 20 CO 0.79 -0.24 1.53 -1.25 0.00 0.00 0.00 175.76 176.59 1lwm s PRO 21 N -0.05 4.20 0.00 0.00 0.04 -1.26 -4.46 135.00 133.46 1lwm s PRO 21 Ca 0.03 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.24 1lwm s PRO 21 Cb -0.04 -3.91 -0.12 0.00 0.04 0.00 0.00 34.50 30.47 1lwm s PRO 21 CO -0.06 -0.80 0.66 1.17 0.04 0.00 0.00 177.00 178.02 1lwm n LYS 22 N 6.94 2.13 -2.74 4.56 0.00 -1.26 -5.06 118.16 122.73 1lwm n LYS 22 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 58.31 58.27 1lwm n LYS 22 Cb 0.43 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1lwm n LYS 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1lwm n ARG 23 N -1.04 -3.39 0.00 1.64 1.74 -1.26 -5.02 116.66 109.32 1lwm n ARG 23 Ca 0.04 2.73 0.00 0.00 -0.77 0.00 0.00 57.85 59.85 1lwm n ARG 23 Cb 0.25 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 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 0.66 0.00 -3.58 7.54 0.00 -1.26 -5.09 120.51 118.78 1lwm n ALA 24 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1lwm n ALA 24 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.11 0.43 0.00 1.43 -1.26 -5.08 118.68 114.08 1lwm s LEU 25 Ca 0.00 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1lwm s LEU 25 Cb 0.00 2.42 0.01 0.00 0.03 0.00 0.00 46.19 48.65 1lwm s LEU 25 CO 0.00 -1.22 0.59 -0.94 0.23 0.00 0.00 176.35 175.01 1lwm s SER 26 N -2.91 5.63 0.57 2.29 1.04 -1.26 -4.61 113.70 114.45 1lwm s SER 26 Ca 0.12 -0.33 0.30 0.00 0.48 0.00 0.00 55.95 56.51 1lwm s SER 26 Cb -0.04 -0.75 1.45 0.00 0.10 0.00 0.00 66.02 66.79 1lwm s SER 26 CO 0.04 -0.78 1.87 0.00 0.98 0.00 0.00 173.24 175.34 1lwm h ALA 27 N 0.58 2.43 0.07 5.32 0.00 -1.85 0.33 119.26 126.14 1lwm h ALA 27 Ca -0.41 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.23 1lwm h ALA 27 Cb 1.28 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1lwm h ALA 27 CO 0.47 -0.89 -1.10 -0.92 0.00 0.00 0.00 179.25 176.81 1lwm h TYR 28 N 0.00 0.57 -0.25 0.00 3.20 -1.93 -2.72 116.97 115.85 1lwm h TYR 28 Ca 0.30 -0.36 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1lwm h TYR 28 Cb 1.43 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1lwm h TYR 28 CO 0.00 1.23 -0.21 0.52 -1.64 0.00 0.00 178.16 178.05 1lwm h MET 29 N 0.16 0.45 0.24 1.82 2.86 -0.73 0.29 114.93 120.02 1lwm h MET 29 Ca -0.11 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1lwm h MET 29 Cb 1.78 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.41 1lwm h MET 29 CO 0.19 0.65 -0.12 0.74 1.06 0.00 0.00 176.91 179.43 1lwm h PHE 30 N 0.41 -0.30 0.00 -0.22 0.04 -1.45 0.83 116.94 116.25 1lwm h PHE 30 Ca 0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1lwm h PHE 30 Cb 0.60 0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1lwm h PHE 30 CO 0.02 0.03 0.00 0.35 -0.60 0.00 0.00 178.31 178.11 1lwm h PHE 31 N -0.97 0.00 0.02 -0.55 3.04 -1.50 -2.06 116.94 114.92 1lwm h PHE 31 Ca -0.03 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.63 1lwm h PHE 31 Cb 0.46 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.93 1lwm h PHE 31 CO 0.05 0.00 -1.62 0.00 -2.02 0.00 0.00 178.31 174.72 1lwm h ALA 32 N 2.00 0.65 0.00 2.41 0.00 -0.41 -2.02 119.26 121.89 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 0.24 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1lwm h ALA 32 CO 0.00 1.48 -0.54 -0.91 0.00 0.00 0.00 179.25 179.29 1lwm h ASN 33 N 0.01 0.00 0.06 0.00 -0.26 -0.14 -0.29 115.58 114.96 1lwm h ASN 33 Ca -0.26 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.15 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 0.54 -1.87 -0.62 -1.06 0.00 0.00 177.43 174.51 1lwm n GLU 34 N -3.85 0.67 0.19 0.81 4.71 -0.94 -4.10 120.64 118.12 1lwm n GLU 34 Ca -0.01 0.35 0.03 0.00 -0.01 0.00 0.00 57.16 57.51 1lwm n GLU 34 Cb 0.55 -1.68 0.36 0.00 -1.01 0.00 0.00 31.44 29.67 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1lwm h ASN 35 N -0.38 0.00 0.36 1.62 -0.26 -1.43 -2.10 115.58 113.40 1lwm h ASN 35 Ca -0.45 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.27 1lwm h ASN 35 Cb 1.75 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.00 1lwm h ASN 35 CO -0.08 0.37 -0.12 0.08 -1.06 0.00 0.00 177.43 176.63 1lwm h ARG 36 N 0.00 0.00 0.02 0.81 -0.00 -1.22 -1.54 114.38 112.46 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 59.69 1lwm h ARG 36 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.60 1lwm h ARG 36 CO 0.05 0.12 -1.61 0.22 -0.00 0.00 0.00 179.97 178.75 1lwm h ASP 37 N 0.00 0.07 -0.59 0.08 3.58 -1.54 -2.06 116.42 115.97 1lwm h ASP 37 Ca -0.00 -0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.20 1lwm h ASP 37 Cb 0.33 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1lwm h ASP 37 CO 0.02 1.12 -0.05 0.40 -2.88 0.00 0.00 179.24 177.85 1lwm h ILE 38 N 0.01 1.27 0.21 2.25 1.08 -0.93 0.19 117.51 121.58 1lwm h ILE 38 Ca -0.25 -1.21 -0.28 0.00 -0.39 0.00 0.00 64.86 62.73 1lwm h ILE 38 Cb 1.98 0.86 0.03 0.00 -3.07 0.00 0.00 36.82 36.62 1lwm h ILE 38 CO 0.10 0.44 -1.23 0.58 -0.69 0.00 0.00 178.15 177.34 1lwm h VAL 39 N 0.96 1.36 0.00 1.67 2.07 -1.43 -2.59 116.25 118.28 1lwm h VAL 39 Ca 0.16 -2.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.03 1lwm h VAL 39 Cb 0.62 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1lwm h VAL 39 CO 0.04 0.77 -0.12 0.03 0.02 0.00 0.00 177.57 178.31 1lwm h ARG 40 N -0.06 0.00 0.23 1.57 3.08 -1.35 0.28 114.38 118.13 1lwm h ARG 40 Ca -0.22 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.51 1lwm h ARG 40 Cb 1.96 0.00 0.04 0.00 0.08 0.00 0.00 29.97 32.05 1lwm h ARG 40 CO 0.22 0.12 -1.41 1.03 -1.07 0.00 0.00 179.97 178.86 1lwm h SER 41 N 0.00 0.84 1.24 7.04 0.87 -0.65 -1.77 113.55 121.13 1lwm h SER 41 Ca -0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 1lwm h SER 41 Cb 0.35 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1lwm h SER 41 CO 0.02 1.68 0.00 -0.62 -0.53 0.00 0.00 176.83 177.38 1lwm n GLU 42 N -3.76 0.15 -3.14 2.24 -0.58 -0.92 -4.06 120.64 110.57 1lwm n GLU 42 Ca -0.16 0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.53 1lwm n GLU 42 Cb 1.07 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 30.24 1lwm n GLU 42 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1lwm n ASN 43 N -1.94 0.30 0.33 1.62 3.02 0.96 -4.95 115.26 114.60 1lwm n ASN 43 Ca 0.06 -3.01 0.12 0.00 -0.03 0.00 0.00 54.58 51.72 1lwm n ASN 43 Cb 0.38 -0.33 0.63 0.00 -0.61 0.00 0.00 39.78 39.85 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 3.24 0.00 0.10 3.52 0.11 -1.46 0.28 132.00 137.79 1lwm h PRO 44 Ca 0.07 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.85 1lwm h PRO 44 Cb 0.96 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1lwm h PRO 44 CO 0.45 0.00 -1.76 0.22 -0.21 0.00 0.00 178.00 176.70 1lwm h ASP 45 N 0.00 0.32 -2.11 -2.05 1.82 -1.93 -3.48 116.42 109.00 1lwm h ASP 45 Ca 0.00 -0.58 -0.46 0.00 -0.39 0.00 0.00 57.03 55.60 1lwm h ASP 45 Cb 0.96 -0.10 0.24 0.00 0.68 0.00 0.00 39.33 41.10 1lwm h ASP 45 CO 0.00 1.51 -1.33 0.00 -1.61 0.00 0.00 179.24 177.82 1lwm n ILE 46 N -3.37 0.00 -4.66 2.25 3.06 0.98 -5.04 119.36 112.58 1lwm n ILE 46 Ca -0.23 -0.26 -0.30 0.00 -2.50 0.00 0.00 62.75 59.46 1lwm n ILE 46 Cb 1.05 -0.52 -0.08 0.00 0.54 0.00 0.00 39.64 40.63 1lwm n ILE 46 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1lwm s THR 47 N -2.20 0.93 0.10 9.51 -4.23 -1.26 -5.02 115.64 113.47 1lwm s THR 47 Ca 0.53 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.38 1lwm s THR 47 Cb -0.08 -2.24 0.38 0.00 1.34 0.00 0.00 72.50 71.90 1lwm s THR 47 CO 0.66 0.00 2.00 0.15 -0.54 0.00 0.00 174.62 176.89 1lwm h PHE 48 N 1.52 0.00 0.00 3.99 3.57 -1.97 -1.25 116.94 122.81 1lwm h PHE 48 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1lwm h PHE 48 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1lwm h PHE 48 CO 1.53 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 178.39 1lwm h GLY 49 N 1.81 0.00 0.00 2.40 0.00 -2.00 -2.19 103.07 103.09 1lwm h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lwm h GLY 49 CO 0.00 0.00 -0.75 0.61 0.00 0.00 0.00 176.54 176.40 1lwm n GLN 50 N -2.50 2.36 0.07 4.80 0.00 -1.00 -4.54 117.38 116.57 1lwm n GLN 50 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.87 1lwm n GLN 50 Cb 0.12 -0.88 -0.09 0.00 0.00 0.00 0.00 30.24 29.39 1lwm n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1lwm h VAL 51 N 0.00 0.99 -0.35 -0.39 2.07 -1.14 -0.32 116.25 117.11 1lwm h VAL 51 Ca 0.00 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1lwm h VAL 51 Cb 0.43 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1lwm h VAL 51 CO 0.00 0.20 -0.02 1.23 0.02 0.00 0.00 177.57 179.00 1lwm h GLY 52 N -0.65 0.59 2.00 2.17 0.00 -1.65 -1.74 103.07 103.80 1lwm h GLY 52 Ca -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1lwm h GLY 52 CO 0.03 0.34 -0.15 0.07 0.00 0.00 0.00 176.54 176.83 1lwm h LYS 53 N 0.52 0.00 -0.01 4.80 2.10 -1.71 -1.86 116.57 120.41 1lwm h LYS 53 Ca 0.11 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.51 1lwm h LYS 53 Cb 0.37 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1lwm h LYS 53 CO 0.01 0.15 -0.98 0.87 -2.00 0.00 0.00 179.45 177.50 1lwm h LYS 54 N 0.00 0.59 0.00 0.07 1.79 -0.18 -2.02 116.57 116.82 1lwm h LYS 54 Ca -0.00 -0.62 -0.09 0.00 -2.18 0.00 0.00 60.65 57.76 1lwm h LYS 54 Cb 0.83 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1lwm h LYS 54 CO 0.02 1.23 -0.45 -0.07 -1.08 0.00 0.00 179.45 179.10 1lwm h LEU 55 N 0.34 0.00 -0.17 2.94 3.38 -1.29 -2.13 115.31 118.37 1lwm h LEU 55 Ca -0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.65 1lwm h LEU 55 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1lwm h LEU 55 CO 0.18 0.45 -0.96 1.23 0.09 0.00 0.00 178.44 179.43 1lwm h GLY 56 N 2.81 0.34 1.59 0.83 0.00 -1.29 -1.33 103.07 106.02 1lwm h GLY 56 Ca -0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 47.33 46.43 1lwm h GLY 56 CO 0.06 0.56 -1.16 0.83 0.00 0.00 0.00 176.54 176.83 1lwm h GLU 57 N 0.16 0.32 -0.11 4.80 5.08 -1.34 -1.59 114.58 121.89 1lwm h GLU 57 Ca -0.07 -0.47 -0.16 0.00 -1.00 0.00 0.00 59.36 57.65 1lwm h GLU 57 Cb 1.60 0.17 0.01 0.00 0.50 0.00 0.00 28.75 31.03 1lwm h GLU 57 CO 0.16 1.19 -0.57 0.87 -1.00 0.00 0.00 179.01 179.66 1lwm h LYS 58 N 0.12 0.59 -0.17 2.33 1.57 -1.45 -2.37 116.57 117.19 1lwm h LYS 58 Ca -0.12 -0.48 -0.05 0.00 -1.87 0.00 0.00 60.65 58.13 1lwm h LYS 58 Cb 1.86 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.26 1lwm h LYS 58 CO 0.19 1.10 -0.07 2.35 -0.57 0.00 0.00 179.45 182.46 1lwm h TRP 59 N 0.22 0.41 -1.00 -1.35 2.91 -1.33 0.38 115.95 116.19 1lwm h TRP 59 Ca -0.04 -0.10 0.07 0.00 1.13 0.00 0.00 58.89 59.95 1lwm h TRP 59 Cb 1.21 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.70 1lwm h TRP 59 CO 0.11 0.66 0.64 1.57 -1.03 0.00 0.00 178.44 180.38 1lwm h LYS 60 N 0.04 1.12 -0.01 2.65 2.10 -1.35 0.62 116.57 121.74 1lwm h LYS 60 Ca 0.04 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1lwm h LYS 60 Cb 0.54 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1lwm h LYS 60 CO 0.02 0.74 -0.25 0.00 -2.00 0.00 0.00 179.45 177.97 1lwm n ALA 61 N -2.36 3.05 -2.09 0.07 0.00 -0.89 -4.88 120.51 113.40 1lwm n ALA 61 Ca 0.16 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1lwm n ALA 61 Cb 0.20 -1.18 -0.03 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 -2.56 4.33 0.40 0.00 0.05 0.13 -4.95 118.68 116.09 1lwm s LEU 62 Ca 0.24 2.26 -0.26 0.00 0.05 0.00 0.00 54.13 56.41 1lwm s LEU 62 Cb 0.19 -3.56 -0.10 0.00 -2.05 0.00 0.00 46.19 40.67 1lwm s LEU 62 CO 0.53 -0.80 1.29 0.41 -0.55 0.00 0.00 176.35 177.22 1lwm n THR 63 N 4.77 2.40 0.25 5.48 -1.04 -1.26 -4.79 114.28 120.09 1lwm n THR 63 Ca 0.15 -0.50 0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1lwm n THR 63 Cb 0.42 -1.59 0.90 0.00 -1.82 0.00 0.00 70.33 68.24 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 2.24 0.00 -0.57 -2.82 0.11 -1.95 -1.00 132.00 128.01 1lwm h PRO 64 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1lwm h PRO 64 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1lwm h PRO 64 CO 0.61 0.00 0.33 1.05 -0.21 0.00 0.00 178.00 179.78 1lwm h GLU 65 N 0.00 0.77 0.00 1.05 -0.00 -2.01 0.11 114.58 114.51 1lwm h GLU 65 Ca 0.05 -0.07 -0.25 0.00 -0.00 0.00 0.00 59.36 59.10 1lwm h GLU 65 Cb 0.42 -0.16 -0.04 0.00 -0.00 0.00 0.00 28.75 28.97 1lwm h GLU 65 CO -0.00 0.55 -1.54 0.93 -0.00 0.00 0.00 179.01 178.95 1lwm h GLU 66 N 0.78 0.00 0.00 1.06 4.39 -1.55 -3.31 114.58 115.95 1lwm h GLU 66 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1lwm h GLU 66 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1lwm h GLU 66 CO -0.04 0.49 0.00 -0.22 -1.16 0.00 0.00 179.01 178.08 1lwm h LYS 67 N 0.00 0.00 -0.83 2.33 3.64 -0.97 -3.34 116.57 117.41 1lwm h LYS 67 Ca -0.22 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1lwm h LYS 67 Cb 1.88 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.60 1lwm h LYS 67 CO 0.08 0.00 -0.49 1.04 -2.27 0.00 0.00 179.45 177.81 1lwm n GLN 68 N -2.63 -0.36 0.20 1.90 3.00 0.35 0.19 117.38 120.03 1lwm n GLN 68 Ca 0.03 1.35 0.04 0.00 -0.01 0.00 0.00 57.00 58.41 1lwm n GLN 68 Cb 0.35 -2.00 0.40 0.00 0.00 0.00 0.00 30.24 29.00 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1lwm h PRO 69 N 0.00 0.00 0.00 -1.09 0.13 -1.85 -2.31 132.00 126.88 1lwm h PRO 69 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1lwm h PRO 69 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1lwm h PRO 69 CO -0.78 0.33 0.00 0.66 -0.23 0.00 0.00 178.00 177.99 1lwm n TYR 70 N -4.03 0.00 -0.21 1.56 4.01 0.13 -0.85 117.16 117.77 1lwm n TYR 70 Ca -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.74 1lwm n TYR 70 Cb 0.39 -0.34 0.13 0.00 -0.31 0.00 0.00 39.34 39.20 1lwm n TYR 70 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1lwm h GLU 71 N 0.00 0.20 -0.44 -0.72 4.57 -1.11 0.26 114.58 117.33 1lwm h GLU 71 Ca 0.00 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1lwm h GLU 71 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1lwm h GLU 71 CO 0.00 0.13 0.30 0.00 -1.18 0.00 0.00 179.01 178.26 1lwm h ALA 72 N 1.54 1.92 -0.15 2.92 0.00 -1.49 -0.52 119.26 123.49 1lwm h ALA 72 Ca 0.34 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1lwm h ALA 72 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1lwm h ALA 72 CO -0.48 0.00 -0.57 -0.22 0.00 0.00 0.00 179.25 177.99 1lwm h LYS 73 N 0.39 0.46 0.00 0.00 1.63 0.15 -2.13 116.57 117.07 1lwm h LYS 73 Ca 0.19 -0.30 -0.08 0.00 -0.85 0.00 0.00 60.65 59.61 1lwm h LYS 73 Cb 0.26 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1lwm h LYS 73 CO -0.05 0.90 -0.40 0.00 -3.45 0.00 0.00 179.45 176.45 1lwm h ALA 74 N 1.04 1.18 0.01 5.00 0.00 0.09 -1.10 119.26 125.48 1lwm h ALA 74 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.32 1lwm h ALA 74 Cb 1.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1lwm h ALA 74 CO 0.10 0.50 -0.96 1.96 0.00 0.00 0.00 179.25 180.86 1lwm h GLN 75 N 0.00 0.34 -0.07 0.00 1.08 -1.07 0.16 115.11 115.54 1lwm h GLN 75 Ca -0.00 -0.38 -0.15 0.00 -1.45 0.00 0.00 58.65 56.66 1lwm h GLN 75 Cb 0.78 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1lwm h GLN 75 CO 0.05 1.08 -0.62 0.00 -0.95 0.00 0.00 178.83 178.38 1lwm h ALA 76 N 0.79 0.81 0.00 3.87 0.00 -1.10 -2.12 119.26 121.50 1lwm h ALA 76 Ca -0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1lwm h ALA 76 Cb 1.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1lwm h ALA 76 CO 0.16 0.74 -0.78 0.22 0.00 0.00 0.00 179.25 179.59 1lwm h ASP 77 N 0.19 0.00 0.66 0.00 1.82 -1.19 -2.72 116.42 115.18 1lwm h ASP 77 Ca -0.01 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.50 1lwm h ASP 77 Cb 1.14 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 1lwm h ASP 77 CO 0.10 0.39 -0.64 0.50 -1.61 0.00 0.00 179.24 177.98 1lwm h LYS 78 N 0.00 0.00 0.00 0.28 1.63 -0.51 -1.62 116.57 116.35 1lwm h LYS 78 Ca -0.05 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.56 1lwm h LYS 78 Cb 1.34 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.94 1lwm h LYS 78 CO 0.04 0.64 -1.16 -0.22 -3.45 0.00 0.00 179.45 175.30 1lwm h LYS 79 N 0.00 0.00 0.00 1.90 3.64 -1.43 -2.24 116.57 118.45 1lwm h LYS 79 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1lwm h LYS 79 Cb 1.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1lwm h LYS 79 CO 0.08 0.56 -0.79 0.00 -2.27 0.00 0.00 179.45 177.03 1lwm h ARG 80 N 0.00 0.00 0.11 1.90 3.08 -1.37 0.65 114.38 118.75 1lwm h ARG 80 Ca -0.11 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.61 1lwm h ARG 80 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.71 1lwm h ARG 80 CO 0.08 0.79 -1.70 -0.92 -1.07 0.00 0.00 179.97 177.15 1lwm h TYR 81 N 0.00 0.43 0.00 3.04 5.03 -1.38 -2.94 116.97 121.15 1lwm h TYR 81 Ca -0.01 -0.31 -0.10 0.00 2.58 0.00 0.00 58.73 60.89 1lwm h TYR 81 Cb 1.42 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.67 1lwm h TYR 81 CO 0.00 1.46 -0.50 1.05 -1.32 0.00 0.00 178.16 178.85 1lwm h GLU 82 N 0.06 0.00 0.03 1.82 -0.00 -1.46 -2.29 114.58 112.74 1lwm h GLU 82 Ca -0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.98 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 0.13 0.49 -0.30 0.77 -0.00 0.00 0.00 179.01 180.10 1lwm h SER 83 N 0.00 0.22 -0.54 3.06 0.02 -0.99 -1.86 113.55 113.46 1lwm h SER 83 Ca -0.01 -0.86 -0.11 0.00 -0.84 0.00 0.00 61.79 59.97 1lwm h SER 83 Cb 1.38 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 1lwm h SER 83 CO 0.06 1.06 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.39 1lwm h GLU 84 N -0.58 1.03 -0.49 3.45 5.08 -1.61 -2.33 114.58 119.12 1lwm h GLU 84 Ca -0.05 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 1lwm h GLU 84 Cb 1.13 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1lwm h GLU 84 CO 0.06 1.06 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.75 1lwm h LYS 85 N 0.92 0.96 -0.50 2.33 3.64 -1.51 -2.15 116.57 120.26 1lwm h LYS 85 Ca 0.15 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 85 Cb 0.66 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1lwm h LYS 85 CO 0.05 1.04 0.28 1.49 -2.27 0.00 0.00 179.45 180.04 1lwm h GLU 86 N 0.84 0.69 -0.73 1.90 4.81 -1.19 -2.02 114.58 118.89 1lwm h GLU 86 Ca 0.12 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1lwm h GLU 86 Cb 0.72 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1lwm h GLU 86 CO 0.06 0.53 0.21 -0.07 -0.73 0.00 0.00 179.01 179.01 1lwm h LEU 87 N 0.66 1.07 0.06 1.64 -0.00 -1.32 -2.01 115.31 115.41 1lwm h LEU 87 Ca 0.18 -0.21 0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1lwm h LEU 87 Cb 0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.40 1lwm h LEU 87 CO -0.03 1.00 -0.08 0.22 -0.00 0.00 0.00 178.44 179.55 1lwm h TYR 88 N 1.09 -0.20 -0.95 1.13 5.03 -1.02 -0.16 116.97 121.89 1lwm h TYR 88 Ca 0.23 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.55 1lwm h TYR 88 Cb 0.33 0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.64 1lwm h TYR 88 CO 0.03 -0.12 0.60 -2.95 -1.32 0.00 0.00 178.16 174.39 1lwm h ASN 89 N -0.17 1.11 0.74 -2.11 -1.07 -1.26 0.36 115.58 113.18 1lwm h ASN 89 Ca 0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 56.30 56.30 1lwm h ASN 89 Cb 0.17 -0.28 -0.00 0.00 -2.07 0.00 0.00 38.32 36.14 1lwm h ASN 89 CO -0.04 0.83 -0.14 0.00 0.07 0.00 0.00 177.43 178.15 1lwm h ALA 90 N 1.37 1.09 0.00 4.14 0.00 -0.97 -2.33 119.26 122.55 1lwm h ALA 90 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1lwm h ALA 90 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lwm h ALA 90 CO -0.07 0.17 -1.14 0.25 0.00 0.00 0.00 179.25 178.47 1lwm n THR 91 N -3.38 0.04 0.01 0.00 -2.24 -0.11 -4.34 114.28 104.26 1lwm n THR 91 Ca -0.00 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1lwm n THR 91 Cb 0.33 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.36 -1.72 3.22 3.38 0.12 -3.50 115.31 117.17 1lwm h LEU 92 Ca 0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1lwm h LEU 92 Cb 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1lwm h LEU 92 CO 0.00 1.47 0.00 0.00 0.09 0.00 0.00 178.44 180.00