#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 1.88 0.30 2.03 0.11 -1.26 -5.13 120.40 118.32 1lwm s VAL 2 Ca 0.00 -0.97 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 1lwm s VAL 2 Cb 0.00 -1.59 -0.06 0.00 -1.53 0.00 0.00 36.38 33.19 1lwm s VAL 2 CO 0.00 0.53 0.62 0.42 -3.33 0.00 0.00 175.10 173.33 1lwm s THR 3 N -0.10 4.91 0.24 5.04 -4.23 -1.26 -5.00 115.64 115.24 1lwm s THR 3 Ca -0.04 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1lwm s THR 3 Cb -0.13 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 1lwm s THR 3 CO 0.03 -0.27 1.61 1.55 -0.54 0.00 0.00 174.62 177.00 1lwm h PRO 4 N 1.93 0.44 0.00 3.99 0.13 -2.09 -3.45 132.00 132.95 1lwm h PRO 4 Ca -0.47 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1lwm h PRO 4 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lwm h PRO 4 CO 0.67 0.80 0.00 0.54 -0.23 0.00 0.00 178.00 179.78 1lwm n ARG 5 N -4.00 3.33 0.00 0.86 1.74 -1.26 -5.13 116.66 112.20 1lwm n ARG 5 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1lwm n ARG 5 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1lwm n ARG 5 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1lwm n GLU 6 N 0.00 0.00 0.00 5.56 0.28 -1.26 -5.18 120.64 120.04 1lwm n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1lwm n GLU 6 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1lwm n GLU 6 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1lwm n PRO 7 N 0.00 2.06 -1.34 3.44 -0.02 -1.26 -4.95 135.00 132.93 1lwm n PRO 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1lwm n PRO 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1lwm n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1lwm n LYS 8 N 0.00 0.00 -3.13 -0.52 4.81 -1.26 -4.78 118.16 113.28 1lwm n LYS 8 Ca 0.00 0.50 -0.14 0.00 -0.87 0.00 0.00 58.31 57.80 1lwm n LYS 8 Cb 0.00 -0.84 0.07 0.00 0.02 0.00 0.00 35.03 34.28 1lwm n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1lwm n LYS 9 N 0.01 -5.24 -4.34 1.64 4.76 -1.26 -5.03 118.16 108.71 1lwm n LYS 9 Ca 0.00 0.65 -0.25 0.00 -2.87 0.00 0.00 58.31 55.84 1lwm n LYS 9 Cb 0.00 -5.08 -0.09 0.00 -1.84 0.00 0.00 35.03 28.02 1lwm n LYS 9 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1lwm s ARG 10 N -5.19 2.04 -0.03 1.97 1.81 -1.26 -5.08 118.95 113.21 1lwm s ARG 10 Ca 0.07 -1.44 -0.09 0.00 -1.72 0.00 0.00 55.73 52.55 1lwm s ARG 10 Cb -0.03 -2.06 -0.05 0.00 -0.45 0.00 0.00 34.95 32.36 1lwm s ARG 10 CO 0.56 0.38 0.50 1.15 -0.68 0.00 0.00 175.30 177.21 1lwm h THR 11 N 2.35 0.00 -2.51 0.02 2.02 -2.01 -3.44 112.91 109.34 1lwm h THR 11 Ca -0.44 -0.39 -0.53 0.00 0.77 0.00 0.00 66.41 65.82 1lwm h THR 11 Cb 1.23 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1lwm h THR 11 CO 0.57 0.00 1.13 0.28 0.37 0.00 0.00 175.52 177.87 1lwm s THR 12 N -2.63 2.65 0.73 3.16 -1.32 -1.26 -4.92 115.64 112.06 1lwm s THR 12 Ca -0.05 0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.34 1lwm s THR 12 Cb 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 72.50 67.90 1lwm s THR 12 CO 0.14 -0.00 0.38 -2.11 -2.21 0.00 0.00 174.62 170.81 1lwm n ARG 13 N 6.03 0.22 -2.03 7.08 0.00 -1.26 -4.98 116.66 121.71 1lwm n ARG 13 Ca 0.18 0.11 -0.28 0.00 -0.00 0.00 0.00 57.85 57.85 1lwm n ARG 13 Cb 0.39 -1.70 0.15 0.00 -0.00 0.00 0.00 32.46 31.29 1lwm n ARG 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1lwm s LYS 14 N -2.60 1.18 0.26 2.89 -2.85 -1.26 -5.06 119.74 112.30 1lwm s LYS 14 Ca 0.62 -0.38 -0.18 0.00 -1.00 0.00 0.00 55.97 55.04 1lwm s LYS 14 Cb -0.34 -1.96 -0.08 0.00 -2.06 0.00 0.00 37.83 33.38 1lwm s LYS 14 CO 0.61 -2.02 0.73 0.15 0.10 0.00 0.00 175.35 174.92 1lwm s LYS 15 N -5.67 4.17 0.13 1.78 1.02 -1.26 -5.07 119.74 114.84 1lwm s LYS 15 Ca 0.69 0.80 -0.25 0.00 0.02 0.00 0.00 55.97 57.23 1lwm s LYS 15 Cb -0.06 -2.73 0.07 0.00 -0.52 0.00 0.00 37.83 34.59 1lwm s LYS 15 CO 0.50 0.31 0.90 -1.59 -0.92 0.00 0.00 175.35 174.55 1lwm s LYS 16 N -2.32 1.18 -0.29 1.68 0.00 -1.26 -5.15 119.74 113.59 1lwm s LYS 16 Ca 0.47 -0.61 0.05 0.00 0.00 0.00 0.00 55.97 55.88 1lwm s LYS 16 Cb -0.14 0.43 0.19 0.00 0.00 0.00 0.00 37.83 38.31 1lwm s LYS 16 CO 0.20 -0.54 0.57 0.34 0.00 0.00 0.00 175.35 175.92 1lwm s ASP 17 N -2.83 -1.38 0.25 0.03 -1.08 -1.26 -5.17 116.67 105.23 1lwm s ASP 17 Ca 0.10 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1lwm s ASP 17 Cb -0.02 1.93 0.00 0.00 -1.46 0.00 0.00 42.92 43.37 1lwm s ASP 17 CO -0.01 -0.31 0.00 -0.81 0.52 0.00 0.00 175.17 174.57 1lwm n PRO 18 N 5.41 0.45 -1.51 4.34 -0.04 -1.26 -4.64 135.00 137.76 1lwm n PRO 18 Ca 0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 1lwm n PRO 18 Cb 0.53 0.00 -0.21 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.74 -0.98 -4.69 3.54 6.94 -1.26 -4.85 115.26 113.21 1lwm n ASN 19 Ca 0.00 -0.56 -0.23 0.00 -0.02 0.00 0.00 54.58 53.77 1lwm n ASN 19 Cb 0.00 -0.68 -0.07 0.00 -2.36 0.00 0.00 39.78 36.68 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 2.31 3.27 1.17 -2.53 0.00 -1.26 -4.73 121.76 119.99 1lwm s ALA 20 Ca 1.29 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1lwm s ALA 20 Cb -0.82 -0.94 0.21 0.00 0.00 0.00 0.00 23.12 21.56 1lwm s ALA 20 CO 0.52 0.31 0.40 -2.30 0.00 0.00 0.00 175.76 174.69 1lwm n PRO 21 N -0.80 -2.52 -0.70 0.00 -0.02 -1.26 -4.93 135.00 124.76 1lwm n PRO 21 Ca -0.07 -0.73 0.05 0.00 -2.02 0.00 0.00 63.50 60.73 1lwm n PRO 21 Cb 0.58 -1.77 0.19 0.00 -0.02 0.00 0.00 33.50 32.48 1lwm n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1lwm n LYS 22 N -3.19 1.50 -2.72 -0.52 4.81 -1.26 -5.04 118.16 111.74 1lwm n LYS 22 Ca 0.04 -3.22 -0.04 0.00 -0.87 0.00 0.00 58.31 54.22 1lwm n LYS 22 Cb 0.54 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.06 1lwm n LYS 22 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1lwm n ARG 23 N -0.98 -3.82 -1.00 1.64 0.00 -1.26 -4.89 116.66 106.34 1lwm n ARG 23 Ca 0.18 2.95 -0.34 0.00 -0.00 0.00 0.00 57.85 60.64 1lwm n ARG 23 Cb 0.73 -4.25 0.10 0.00 0.00 0.00 0.00 32.46 29.04 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lwm n ALA 24 N 1.76 -2.08 -2.32 5.13 0.00 -1.26 -5.01 120.51 116.72 1lwm n ALA 24 Ca -0.30 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.52 1lwm n ALA 24 Cb 0.48 -1.83 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.84 1.67 0.29 0.00 1.43 -1.26 -5.04 118.68 114.93 1lwm s LEU 25 Ca 0.61 -1.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1lwm s LEU 25 Cb -0.27 -0.00 -0.06 0.00 0.03 0.00 0.00 46.19 45.89 1lwm s LEU 25 CO 0.63 -0.72 -0.11 -0.94 0.23 0.00 0.00 176.35 175.44 1lwm s SER 26 N -3.32 3.21 0.57 2.29 1.04 -1.26 -4.51 113.70 111.72 1lwm s SER 26 Ca 0.38 -1.14 0.30 0.00 0.48 0.00 0.00 55.95 55.96 1lwm s SER 26 Cb 0.08 -0.25 1.45 0.00 0.10 0.00 0.00 66.02 67.40 1lwm s SER 26 CO 0.14 -0.21 1.85 0.00 0.98 0.00 0.00 173.24 176.00 1lwm h ALA 27 N 2.23 2.45 0.07 5.32 0.00 -1.85 0.32 119.26 127.81 1lwm h ALA 27 Ca -0.40 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 1lwm h ALA 27 Cb 1.24 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1lwm h ALA 27 CO 0.66 -0.92 -1.13 -0.92 0.00 0.00 0.00 179.25 176.94 1lwm h TYR 28 N 0.00 0.76 -0.53 0.00 3.20 -1.95 -2.66 116.97 115.80 1lwm h TYR 28 Ca 0.31 -0.46 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 1lwm h TYR 28 Cb 1.48 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1lwm h TYR 28 CO 0.00 1.31 0.07 1.98 -1.64 0.00 0.00 178.16 179.89 1lwm h MET 29 N 0.22 0.84 0.27 1.82 4.05 -0.76 0.45 114.93 121.83 1lwm h MET 29 Ca -0.14 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.07 1lwm h MET 29 Cb 1.80 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.49 1lwm h MET 29 CO 0.20 0.80 -0.13 0.74 0.23 0.00 0.00 176.91 178.75 1lwm h PHE 30 N 0.80 -0.34 0.00 1.39 0.04 -1.48 -0.91 116.94 116.45 1lwm h PHE 30 Ca 0.17 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1lwm h PHE 30 Cb 0.38 0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1lwm h PHE 30 CO 0.02 0.01 0.00 0.35 -0.60 0.00 0.00 178.31 178.09 1lwm h PHE 31 N -0.93 0.00 0.17 -0.55 3.04 -1.45 -2.48 116.94 114.73 1lwm h PHE 31 Ca -0.04 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.57 1lwm h PHE 31 Cb 0.50 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1lwm h PHE 31 CO 0.05 0.00 -1.75 0.00 -2.02 0.00 0.00 178.31 174.58 1lwm h ALA 32 N 2.17 0.21 0.00 2.41 0.00 -0.03 -1.94 119.26 122.08 1lwm h ALA 32 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 54.91 53.66 1lwm h ALA 32 Cb 0.26 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1lwm h ALA 32 CO 0.00 1.05 -0.32 -0.91 0.00 0.00 0.00 179.25 179.06 1lwm h ASN 33 N 0.04 0.00 0.07 0.00 -0.26 -0.81 0.26 115.58 114.87 1lwm h ASN 33 Ca -0.36 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.10 1lwm h ASN 33 Cb 2.04 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.28 1lwm h ASN 33 CO 0.14 0.32 -1.51 -0.33 -1.06 0.00 0.00 177.43 175.00 1lwm h GLU 34 N 0.00 0.14 0.00 0.81 5.08 -1.58 -3.34 114.58 115.69 1lwm h GLU 34 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1lwm h GLU 34 Cb 0.67 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1lwm h GLU 34 CO 0.04 1.12 0.00 0.09 -1.00 0.00 0.00 179.01 179.26 1lwm n ASN 35 N -4.02 0.72 0.15 1.42 3.02 -0.73 -2.42 115.26 113.40 1lwm n ASN 35 Ca -0.30 0.61 0.02 0.00 -0.03 0.00 0.00 54.58 54.88 1lwm n ASN 35 Cb 0.85 -0.79 0.15 0.00 -0.61 0.00 0.00 39.78 39.38 1lwm n ASN 35 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1lwm h ARG 36 N 0.00 0.00 0.13 3.52 1.12 -0.62 -2.24 114.38 116.29 1lwm h ARG 36 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.51 1lwm h ARG 36 Cb 0.58 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 1lwm h ARG 36 CO 0.00 0.54 -1.95 0.22 -3.11 0.00 0.00 179.97 175.66 1lwm h ASP 37 N 0.00 0.42 -0.59 -3.80 1.82 -1.63 -2.08 116.42 110.57 1lwm h ASP 37 Ca -0.01 -0.95 -0.03 0.00 -0.39 0.00 0.00 57.03 55.66 1lwm h ASP 37 Cb 1.20 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.05 1lwm h ASP 37 CO 0.07 1.85 0.26 0.40 -1.61 0.00 0.00 179.24 180.21 1lwm h ILE 38 N 0.04 1.22 0.15 2.25 2.04 -1.54 0.81 117.51 122.48 1lwm h ILE 38 Ca -0.42 -0.64 -0.31 0.00 1.00 0.00 0.00 64.86 64.50 1lwm h ILE 38 Cb 2.02 0.55 0.03 0.00 -0.74 0.00 0.00 36.82 38.68 1lwm h ILE 38 CO 0.09 0.25 -1.30 0.58 0.00 0.00 0.00 178.15 177.77 1lwm h VAL 39 N 0.80 1.30 0.00 1.67 2.07 -1.57 -2.55 116.25 117.97 1lwm h VAL 39 Ca 0.20 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 1lwm h VAL 39 Cb 0.15 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1lwm h VAL 39 CO -0.02 0.77 -0.05 -0.09 0.02 0.00 0.00 177.57 178.20 1lwm h ARG 40 N 0.23 0.00 0.05 1.57 2.43 -1.23 0.47 114.38 117.89 1lwm h ARG 40 Ca -0.20 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.71 1lwm h ARG 40 Cb 1.98 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.51 1lwm h ARG 40 CO 0.25 0.05 -1.26 1.03 -1.51 0.00 0.00 179.97 178.53 1lwm h SER 41 N 0.00 0.15 0.71 -3.80 0.87 -0.83 -3.12 113.55 107.54 1lwm h SER 41 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1lwm h SER 41 Cb 0.12 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1lwm h SER 41 CO 0.01 1.15 -0.28 -0.62 -0.53 0.00 0.00 176.83 176.56 1lwm n GLU 42 N -3.36 0.02 -2.68 2.24 1.02 -0.44 -4.06 120.64 113.38 1lwm n GLU 42 Ca -0.07 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.88 1lwm n GLU 42 Cb 0.99 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.92 1lwm n GLU 42 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1lwm n ASN 43 N -1.48 2.81 0.23 1.62 0.23 0.15 -4.90 115.26 113.92 1lwm n ASN 43 Ca 0.06 -3.19 0.16 0.00 -0.53 0.00 0.00 54.58 51.08 1lwm n ASN 43 Cb 0.34 -0.52 0.70 0.00 -2.08 0.00 0.00 39.78 38.22 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1lwm h PRO 44 N 2.85 0.00 -0.24 -0.53 0.11 -1.68 0.47 132.00 132.97 1lwm h PRO 44 Ca 0.09 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 1lwm h PRO 44 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1lwm h PRO 44 CO 0.65 0.00 -0.49 0.22 -0.21 0.00 0.00 178.00 178.17 1lwm h ASP 45 N 0.00 0.85 -2.58 -2.05 1.82 -1.90 -3.45 116.42 109.11 1lwm h ASP 45 Ca 0.09 -0.55 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1lwm h ASP 45 Cb 1.03 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1lwm h ASP 45 CO -0.00 1.24 0.00 2.30 -1.61 0.00 0.00 179.24 181.17 1lwm n ILE 46 N -4.11 0.00 -3.70 2.25 -5.35 0.15 -5.13 119.36 103.47 1lwm n ILE 46 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1lwm n ILE 46 Cb 0.59 -1.68 0.00 0.00 -1.74 0.00 0.00 39.64 36.81 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 -1.64 0.00 0.29 7.28 -2.24 -1.26 -5.01 114.28 111.70 1lwm n THR 47 Ca 0.00 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 1lwm n THR 47 Cb 0.00 0.00 0.90 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.70 0.00 0.00 4.78 3.04 -1.97 -0.89 116.94 122.60 1lwm h PHE 48 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1lwm h PHE 48 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1lwm h PHE 48 CO 0.00 0.05 0.00 0.41 -2.02 0.00 0.00 178.31 176.75 1lwm n GLY 49 N -0.89 -1.00 0.00 2.40 0.00 -1.26 -2.20 105.19 102.24 1lwm n GLY 49 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1lwm n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lwm n GLN 50 N -2.18 3.58 0.10 1.61 3.00 -0.66 -4.58 117.38 118.26 1lwm n GLN 50 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1lwm n GLN 50 Cb 0.11 -0.51 -0.12 0.00 0.00 0.00 0.00 30.24 29.71 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 1.39 0.02 5.09 2.07 -0.95 -1.30 116.25 122.57 1lwm h VAL 51 Ca 0.00 -2.73 -0.21 0.00 0.82 0.00 0.00 66.70 64.58 1lwm h VAL 51 Cb 0.00 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1lwm h VAL 51 CO 0.00 0.81 -0.96 1.23 0.02 0.00 0.00 177.57 178.67 1lwm h GLY 52 N 0.92 0.17 1.80 2.17 0.00 -1.71 -1.71 103.07 104.71 1lwm h GLY 52 Ca -0.16 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.65 1lwm h GLY 52 CO 0.22 0.30 -0.90 0.50 0.00 0.00 0.00 176.54 176.67 1lwm h LYS 53 N 0.07 0.00 0.01 4.80 6.56 -1.78 -1.70 116.57 124.53 1lwm h LYS 53 Ca -0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1lwm h LYS 53 Cb 1.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.29 1lwm h LYS 53 CO 0.14 0.67 -0.01 -0.22 -2.06 0.00 0.00 179.45 177.98 1lwm h LYS 54 N 0.00 -0.01 -0.39 3.15 1.63 -1.26 -2.51 116.57 117.18 1lwm h LYS 54 Ca -0.05 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1lwm h LYS 54 Cb 1.61 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.22 1lwm h LYS 54 CO 0.09 0.78 -0.03 1.37 -3.45 0.00 0.00 179.45 178.21 1lwm h LEU 55 N -0.86 0.59 -0.58 5.20 8.10 -1.43 -2.43 115.31 123.90 1lwm h LEU 55 Ca -0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 57.88 57.84 1lwm h LEU 55 Cb 0.80 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 40.83 1lwm h LEU 55 CO 0.00 0.68 0.30 1.23 -4.11 0.00 0.00 178.44 176.54 1lwm h GLY 56 N 0.92 0.89 1.54 0.17 0.00 -1.37 -0.85 103.07 104.37 1lwm h GLY 56 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1lwm h GLY 56 CO 0.02 0.41 0.08 0.83 0.00 0.00 0.00 176.54 177.87 1lwm h GLU 57 N 0.79 0.59 -0.27 4.80 5.08 -1.13 -1.44 114.58 123.01 1lwm h GLU 57 Ca 0.20 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1lwm h GLU 57 Cb 0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1lwm h GLU 57 CO -0.03 0.56 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.94 1lwm h LYS 58 N 0.57 0.60 -0.31 2.33 3.64 -0.94 -2.55 116.57 119.91 1lwm h LYS 58 Ca 0.13 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1lwm h LYS 58 Cb 0.25 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1lwm h LYS 58 CO -0.00 0.88 -0.06 2.35 -2.27 0.00 0.00 179.45 180.36 1lwm h TRP 59 N 0.50 0.65 -0.97 1.91 2.91 -0.55 0.53 115.95 120.94 1lwm h TRP 59 Ca 0.05 -0.13 0.04 0.00 1.13 0.00 0.00 58.89 59.98 1lwm h TRP 59 Cb 0.88 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 29.31 1lwm h TRP 59 CO 0.04 0.76 0.63 0.87 -1.03 0.00 0.00 178.44 179.70 1lwm h LYS 60 N 0.36 1.17 -0.03 2.65 1.57 -1.20 -0.24 116.57 120.85 1lwm h LYS 60 Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lwm h LYS 60 Cb 0.53 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1lwm h LYS 60 CO 0.03 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 1lwm n ALA 61 N -2.38 2.54 -2.09 3.86 0.00 -0.97 -4.90 120.51 116.57 1lwm n ALA 61 Ca 0.13 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1lwm n ALA 61 Cb 0.11 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.99 4.20 0.12 0.00 0.05 0.18 -4.90 118.68 116.35 1lwm s LEU 62 Ca 0.35 2.02 -0.22 0.00 0.05 0.00 0.00 54.13 56.32 1lwm s LEU 62 Cb 0.21 -3.53 -0.13 0.00 -2.05 0.00 0.00 46.19 40.68 1lwm s LEU 62 CO 0.32 -0.98 0.46 0.41 -0.55 0.00 0.00 176.35 176.01 1lwm n THR 63 N 5.68 1.23 0.26 5.48 -1.04 -1.26 -4.51 114.28 120.12 1lwm n THR 63 Ca 0.17 -0.31 0.14 0.00 -2.04 0.00 0.00 64.05 62.02 1lwm n THR 63 Cb 0.44 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.70 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 1.00 0.00 -0.46 -2.82 0.11 -1.95 -1.67 132.00 126.20 1lwm h PRO 64 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1lwm h PRO 64 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1lwm h PRO 64 CO 0.43 0.00 0.30 0.93 -0.21 0.00 0.00 178.00 179.45 1lwm h GLU 65 N 0.00 0.62 0.10 1.05 5.08 -2.00 0.32 114.58 119.75 1lwm h GLU 65 Ca 0.00 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 1lwm h GLU 65 Cb 0.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1lwm h GLU 65 CO 0.00 0.42 -1.48 0.93 -1.00 0.00 0.00 179.01 177.88 1lwm h GLU 66 N 0.63 0.21 0.00 2.33 4.39 -1.63 -3.27 114.58 117.24 1lwm h GLU 66 Ca 0.17 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1lwm h GLU 66 Cb -0.05 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1lwm h GLU 66 CO -0.03 1.06 0.00 -0.22 -1.16 0.00 0.00 179.01 178.66 1lwm h LYS 67 N 0.06 0.00 0.40 2.33 3.64 -1.32 -2.60 116.57 119.07 1lwm h LYS 67 Ca -0.22 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 67 Cb 1.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1lwm h LYS 67 CO 0.15 0.00 -0.19 1.96 -2.27 0.00 0.00 179.45 179.10 1lwm h GLN 68 N 0.00 -0.52 -0.55 1.90 7.50 -0.41 -2.29 115.11 120.75 1lwm h GLN 68 Ca 0.00 0.04 -0.06 0.00 0.50 0.00 0.00 58.65 59.12 1lwm h GLN 68 Cb 0.39 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.01 1lwm h GLN 68 CO 0.00 -0.24 0.08 -1.00 -1.50 0.00 0.00 178.83 176.16 1lwm h PRO 69 N -1.05 0.87 0.57 1.46 0.13 -1.68 -2.30 132.00 130.01 1lwm h PRO 69 Ca -0.06 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1lwm h PRO 69 Cb 0.52 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.54 1lwm h PRO 69 CO 0.09 0.82 -0.27 1.88 -0.23 0.00 0.00 178.00 180.29 1lwm h TYR 70 N 0.83 -0.71 -0.85 1.56 0.05 -1.56 -1.25 116.97 115.04 1lwm h TYR 70 Ca 0.17 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 59.04 1lwm h TYR 70 Cb 0.38 0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.28 1lwm h TYR 70 CO 0.02 -0.43 0.49 1.49 -1.05 0.00 0.00 178.16 178.68 1lwm h GLU 71 N -0.79 0.77 -0.06 4.88 4.57 -1.37 0.12 114.58 122.71 1lwm h GLU 71 Ca -0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1lwm h GLU 71 Cb 0.60 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1lwm h GLU 71 CO 0.13 0.51 -0.01 0.00 -1.18 0.00 0.00 179.01 178.46 1lwm h ALA 72 N 1.48 1.87 -0.11 2.92 0.00 -1.14 -1.16 119.26 123.10 1lwm h ALA 72 Ca 0.42 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1lwm h ALA 72 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lwm h ALA 72 CO -0.26 0.11 -0.64 -0.22 0.00 0.00 0.00 179.25 178.24 1lwm h LYS 73 N 0.09 0.43 -0.05 0.00 1.63 0.43 -2.13 116.57 116.97 1lwm h LYS 73 Ca 0.02 -0.31 -0.09 0.00 -0.85 0.00 0.00 60.65 59.43 1lwm h LYS 73 Cb 0.08 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1lwm h LYS 73 CO 0.00 0.92 -0.39 0.00 -3.45 0.00 0.00 179.45 176.53 1lwm h ALA 74 N 1.00 1.26 -0.02 5.00 0.00 -0.42 -1.01 119.26 125.07 1lwm h ALA 74 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1lwm h ALA 74 Cb 1.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1lwm h ALA 74 CO 0.11 0.53 -0.84 0.37 0.00 0.00 0.00 179.25 179.42 1lwm h GLN 75 N 0.08 0.33 -0.09 0.00 5.75 -1.18 0.19 115.11 120.19 1lwm h GLN 75 Ca 0.01 -0.32 -0.14 0.00 -0.15 0.00 0.00 58.65 58.04 1lwm h GLN 75 Cb 0.74 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1lwm h GLN 75 CO 0.06 1.00 -0.58 0.00 -2.65 0.00 0.00 178.83 176.66 1lwm h ALA 76 N 0.89 0.86 0.00 3.38 0.00 -1.06 -2.18 119.26 121.16 1lwm h ALA 76 Ca -0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1lwm h ALA 76 Cb 1.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1lwm h ALA 76 CO 0.14 0.71 -0.73 0.22 0.00 0.00 0.00 179.25 179.59 1lwm h ASP 77 N 0.21 0.00 0.62 0.00 3.58 -1.14 -2.91 116.42 116.77 1lwm h ASP 77 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1lwm h ASP 77 Cb 1.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1lwm h ASP 77 CO 0.09 0.23 -0.67 0.50 -2.88 0.00 0.00 179.24 176.52 1lwm h LYS 78 N 0.00 0.04 0.00 0.28 3.64 -0.43 -1.97 116.57 118.13 1lwm h LYS 78 Ca -0.04 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 1lwm h LYS 78 Cb 1.21 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1lwm h LYS 78 CO 0.02 0.69 -1.03 -0.22 -2.27 0.00 0.00 179.45 176.65 1lwm h LYS 79 N 0.03 0.00 -0.07 1.90 3.64 -1.45 -2.27 116.57 118.35 1lwm h LYS 79 Ca -0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1lwm h LYS 79 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1lwm h LYS 79 CO 0.09 0.62 -0.76 0.00 -2.27 0.00 0.00 179.45 177.12 1lwm h ARG 80 N 0.00 0.43 0.14 1.90 2.47 -1.40 -0.18 114.38 117.74 1lwm h ARG 80 Ca -0.08 -0.36 -0.29 0.00 -1.26 0.00 0.00 59.98 57.98 1lwm h ARG 80 Cb 1.64 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 30.05 1lwm h ARG 80 CO 0.08 1.00 -1.37 -0.92 0.56 0.00 0.00 179.97 179.33 1lwm h TYR 81 N 0.28 0.56 0.00 3.04 3.20 -1.44 -3.00 116.97 119.61 1lwm h TYR 81 Ca -0.04 -0.41 -0.05 0.00 3.14 0.00 0.00 58.73 61.38 1lwm h TYR 81 Cb 1.35 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 1lwm h TYR 81 CO 0.05 1.36 -0.23 1.05 -1.64 0.00 0.00 178.16 178.75 1lwm h GLU 82 N 0.08 0.00 -0.01 1.82 -0.00 -1.44 -2.45 114.58 112.57 1lwm h GLU 82 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.12 1lwm h GLU 82 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.77 1lwm h GLU 82 CO 0.20 0.23 -0.22 1.03 -0.00 0.00 0.00 179.01 180.25 1lwm h SER 83 N 0.00 0.22 -0.57 3.06 0.87 -1.07 -1.97 113.55 114.09 1lwm h SER 83 Ca -0.00 -0.74 -0.08 0.00 -1.23 0.00 0.00 61.79 59.74 1lwm h SER 83 Cb 1.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1lwm h SER 83 CO 0.03 0.93 0.03 -0.33 -0.53 0.00 0.00 176.83 176.96 1lwm h GLU 84 N -0.47 0.98 -0.70 2.24 5.08 -1.57 -2.39 114.58 117.76 1lwm h GLU 84 Ca -0.02 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1lwm h GLU 84 Cb 0.95 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1lwm h GLU 84 CO 0.04 0.96 0.19 -0.22 -1.00 0.00 0.00 179.01 178.99 1lwm h LYS 85 N 0.87 1.09 -0.44 2.33 3.64 -1.52 -1.72 116.57 120.81 1lwm h LYS 85 Ca 0.16 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1lwm h LYS 85 Cb 0.50 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1lwm h LYS 85 CO 0.02 0.95 0.25 0.93 -2.27 0.00 0.00 179.45 179.33 1lwm h GLU 86 N 1.04 0.61 -0.76 1.90 4.39 -1.14 -1.91 114.58 118.72 1lwm h GLU 86 Ca 0.22 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1lwm h GLU 86 Cb 0.33 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1lwm h GLU 86 CO -0.00 0.48 0.26 -0.07 -1.16 0.00 0.00 179.01 178.52 1lwm h LEU 87 N 0.58 1.09 0.15 1.33 -0.00 -1.22 -0.05 115.31 117.20 1lwm h LEU 87 Ca 0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1lwm h LEU 87 Cb 0.04 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 1lwm h LEU 87 CO -0.03 1.00 -0.12 0.22 -0.00 0.00 0.00 178.44 179.51 1lwm h TYR 88 N 1.13 -0.32 0.00 1.13 5.03 -0.96 0.25 116.97 123.22 1lwm h TYR 88 Ca 0.25 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 1lwm h TYR 88 Cb 0.28 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1lwm h TYR 88 CO 0.02 -0.19 -0.18 -2.95 -1.32 0.00 0.00 178.16 173.54 1lwm h ASN 89 N -0.29 0.00 1.00 -2.11 -1.07 -1.25 -1.37 115.58 110.49 1lwm h ASN 89 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1lwm h ASN 89 Cb 0.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.51 1lwm h ASN 89 CO -0.01 0.18 -0.34 0.00 0.07 0.00 0.00 177.43 177.33 1lwm n ALA 90 N -2.23 2.75 -0.09 4.14 0.00 -0.04 -0.96 120.51 124.08 1lwm n ALA 90 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1lwm n ALA 90 Cb 0.36 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 1lwm n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1lwm n THR 91 N -1.96 1.45 -0.10 0.00 -1.04 0.81 -4.60 114.28 108.83 1lwm n THR 91 Ca 0.05 -0.81 -0.23 0.00 -2.04 0.00 0.00 64.05 61.01 1lwm n THR 91 Cb 0.41 -0.70 -0.12 0.00 -1.82 0.00 0.00 70.33 68.10 1lwm n THR 91 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1lwm n LEU 92 N -2.88 2.34 0.00 -4.42 7.94 -0.57 -5.09 117.00 114.32 1lwm n LEU 92 Ca -0.32 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1lwm n LEU 92 Cb 1.12 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 44.14 1lwm n LEU 92 CO 0.41 0.66 0.08 0.00 -1.11 0.00 0.00 177.39 177.44