#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 -4.84 1.12 0.31 -1.26 -4.42 118.33 109.23 1lwm n VAL 2 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1lwm n VAL 2 Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 1lwm n VAL 2 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1lwm s THR 3 N 0.00 1.44 0.78 2.52 -4.23 -1.26 -5.11 115.64 109.78 1lwm s THR 3 Ca 0.00 -0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 59.63 1lwm s THR 3 Cb 0.00 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 1lwm s THR 3 CO 0.00 0.41 0.52 -2.65 -0.54 0.00 0.00 174.62 172.36 1lwm n PRO 4 N 3.11 0.17 -2.89 3.99 -0.02 -1.26 -3.69 135.00 134.41 1lwm n PRO 4 Ca -0.18 0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.38 1lwm n PRO 4 Cb 0.53 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.02 -2.62 -2.30 -0.52 5.12 -1.26 -4.65 116.66 109.41 1lwm n ARG 5 Ca 0.09 2.14 -0.00 0.00 -1.93 0.00 0.00 57.85 58.15 1lwm n ARG 5 Cb 0.51 -2.66 -0.00 0.00 -1.16 0.00 0.00 32.46 29.14 1lwm n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1lwm n GLU 6 N 2.08 -3.35 0.11 5.56 1.02 -1.26 -4.78 120.64 120.01 1lwm n GLU 6 Ca -0.17 2.45 0.11 0.00 -0.02 0.00 0.00 57.16 59.53 1lwm n GLU 6 Cb 0.29 -3.25 0.46 0.00 -0.02 0.00 0.00 31.44 28.91 1lwm n GLU 6 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1lwm n PRO 7 N 1.93 0.15 -4.41 3.49 -0.04 -1.24 -4.70 135.00 130.18 1lwm n PRO 7 Ca -0.04 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.53 1lwm n PRO 7 Cb 0.06 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 31.59 1lwm n PRO 7 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1lwm s LYS 8 N -3.27 1.79 -0.24 0.54 2.20 -1.26 -4.66 119.74 114.84 1lwm s LYS 8 Ca 0.04 -1.16 0.12 0.00 -0.36 0.00 0.00 55.97 54.62 1lwm s LYS 8 Cb 0.09 -2.10 0.50 0.00 -1.51 0.00 0.00 37.83 34.81 1lwm s LYS 8 CO 0.35 0.49 1.42 1.63 -0.36 0.00 0.00 175.35 178.89 1lwm n LYS 9 N 1.00 2.17 -1.38 4.03 5.02 -1.26 -4.50 118.16 123.24 1lwm n LYS 9 Ca -0.16 -3.02 0.02 0.00 -2.02 0.00 0.00 58.31 53.13 1lwm n LYS 9 Cb 0.53 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1lwm n LYS 9 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1lwm n ARG 10 N -0.94 0.00 -3.86 1.97 1.85 -1.26 -5.10 116.66 109.33 1lwm n ARG 10 Ca 0.28 -1.79 -0.10 0.00 -1.00 0.00 0.00 57.85 55.24 1lwm n ARG 10 Cb 0.95 0.06 -0.08 0.00 -1.05 0.00 0.00 32.46 32.34 1lwm n ARG 10 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1lwm s THR 11 N 0.00 0.12 0.00 8.89 -1.32 -1.26 -5.18 115.64 116.89 1lwm s THR 11 Ca 0.27 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1lwm s THR 11 Cb 0.31 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1lwm s THR 11 CO -0.14 -0.52 0.00 1.07 -2.21 0.00 0.00 174.62 172.82 1lwm n THR 12 N 0.60 0.00 -2.34 5.08 5.66 -1.26 -5.01 114.28 117.01 1lwm n THR 12 Ca -0.18 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 1lwm n THR 12 Cb 0.59 -0.75 -0.03 0.00 -1.55 0.00 0.00 70.33 68.60 1lwm n THR 12 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1lwm s ARG 13 N 1.26 3.27 0.00 1.09 3.00 -1.26 -4.39 118.95 121.91 1lwm s ARG 13 Ca 0.00 0.55 0.00 0.00 -1.00 0.00 0.00 55.73 55.28 1lwm s ARG 13 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 34.95 30.81 1lwm s ARG 13 CO 0.00 -1.97 0.00 1.63 0.00 0.00 0.00 175.30 174.96 1lwm n LYS 14 N 8.65 0.00 -4.35 5.12 4.76 -1.26 -5.15 118.16 125.93 1lwm n LYS 14 Ca 0.14 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 1lwm n LYS 14 Cb 0.49 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.57 1lwm n LYS 14 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1lwm s LYS 15 N -0.27 1.74 -0.10 1.97 1.02 -1.26 -5.04 119.74 117.81 1lwm s LYS 15 Ca 0.00 -1.36 0.13 0.00 0.02 0.00 0.00 55.97 54.76 1lwm s LYS 15 Cb 0.00 -2.01 -0.19 0.00 -0.52 0.00 0.00 37.83 35.11 1lwm s LYS 15 CO 0.00 0.43 0.14 1.63 -0.92 0.00 0.00 175.35 176.64 1lwm n LYS 16 N 0.35 1.30 -3.17 1.68 5.02 -1.26 -4.89 118.16 117.18 1lwm n LYS 16 Ca -0.13 -0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 55.88 1lwm n LYS 16 Cb 0.55 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 1lwm n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1lwm n ASP 17 N -2.34 -6.76 -3.24 4.39 2.03 -1.26 -4.89 116.55 104.47 1lwm n ASP 17 Ca -0.16 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1lwm n ASP 17 Cb 0.75 -3.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.62 1lwm n ASP 17 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1lwm n PRO 18 N -0.19 1.64 -1.50 -0.67 -0.02 -1.26 -4.57 135.00 128.43 1lwm n PRO 18 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1lwm n PRO 18 Cb 0.56 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.96 1lwm n PRO 18 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1lwm n ASN 19 N -0.09 1.56 -4.04 2.55 0.23 -1.26 -4.91 115.26 109.29 1lwm n ASN 19 Ca 0.00 0.01 -0.27 0.00 -0.53 0.00 0.00 54.58 53.79 1lwm n ASN 19 Cb 0.00 -1.26 -0.17 0.00 -2.08 0.00 0.00 39.78 36.28 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lwm s ALA 20 N 9.64 1.48 0.44 -2.53 0.00 -1.26 -4.68 121.76 124.85 1lwm s ALA 20 Ca 1.14 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 1lwm s ALA 20 Cb -0.76 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1lwm s ALA 20 CO 0.41 0.04 1.17 -1.25 0.00 0.00 0.00 175.76 176.13 1lwm s PRO 21 N 0.80 3.84 0.00 0.00 0.04 -1.26 -4.98 135.00 133.43 1lwm s PRO 21 Ca -0.11 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1lwm s PRO 21 Cb -0.16 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1lwm s PRO 21 CO 0.02 -0.49 0.00 1.17 0.04 0.00 0.00 177.00 177.74 1lwm n LYS 22 N -0.33 0.00 -3.15 4.56 4.81 -1.26 -5.02 118.16 117.77 1lwm n LYS 22 Ca 0.06 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.56 1lwm n LYS 22 Cb 0.48 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.51 1lwm n LYS 22 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1lwm s ARG 23 N 0.00 0.14 0.98 1.64 3.52 -1.26 -5.17 118.95 118.80 1lwm s ARG 23 Ca 0.00 0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.64 1lwm s ARG 23 Cb 0.00 0.14 -0.07 0.00 -1.56 0.00 0.00 34.95 33.46 1lwm s ARG 23 CO 0.00 -0.15 -0.87 0.00 -0.81 0.00 0.00 175.30 173.46 1lwm n ALA 24 N 5.48 -3.84 -2.38 6.12 0.00 -1.26 -5.02 120.51 119.60 1lwm n ALA 24 Ca -0.08 -1.19 -0.20 0.00 0.00 0.00 0.00 53.44 51.97 1lwm n ALA 24 Cb 0.54 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 5.16 1.80 0.13 0.00 1.43 -1.26 -5.04 118.68 120.89 1lwm s LEU 25 Ca 0.37 -1.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 1lwm s LEU 25 Cb 0.03 -0.00 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 1lwm s LEU 25 CO 0.56 -0.80 -0.09 -0.44 0.23 0.00 0.00 176.35 175.81 1lwm s SER 26 N -3.41 1.53 0.56 2.29 0.01 -1.26 -4.55 113.70 108.87 1lwm s SER 26 Ca 0.34 -1.01 0.28 0.00 1.31 0.00 0.00 55.95 56.88 1lwm s SER 26 Cb 0.06 0.03 1.47 0.00 0.21 0.00 0.00 66.02 67.80 1lwm s SER 26 CO 0.16 -0.38 1.94 0.00 0.41 0.00 0.00 173.24 175.37 1lwm h ALA 27 N 2.86 2.35 0.03 1.44 0.00 -1.85 0.21 119.26 124.31 1lwm h ALA 27 Ca -0.36 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.30 1lwm h ALA 27 Cb 1.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1lwm h ALA 27 CO 0.64 -0.72 -0.99 -0.92 0.00 0.00 0.00 179.25 177.25 1lwm h TYR 28 N 0.00 0.46 -0.28 0.00 3.20 -1.95 -2.62 116.97 115.78 1lwm h TYR 28 Ca 0.25 -0.27 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 1lwm h TYR 28 Cb 1.15 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1lwm h TYR 28 CO 0.00 1.12 -0.30 1.98 -1.64 0.00 0.00 178.16 179.32 1lwm h MET 29 N 0.15 0.58 0.16 1.82 4.05 -0.99 0.27 114.93 120.97 1lwm h MET 29 Ca -0.08 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.09 1lwm h MET 29 Cb 1.65 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.43 1lwm h MET 29 CO 0.16 0.81 -0.08 0.74 0.23 0.00 0.00 176.91 178.77 1lwm h PHE 30 N 0.50 -0.20 0.00 1.39 0.04 -1.44 0.37 116.94 117.59 1lwm h PHE 30 Ca 0.06 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1lwm h PHE 30 Cb 0.76 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.98 1lwm h PHE 30 CO 0.03 0.24 0.00 0.35 -0.60 0.00 0.00 178.31 178.33 1lwm h PHE 31 N -0.82 0.00 0.02 -0.55 3.04 -1.49 -2.30 116.94 114.84 1lwm h PHE 31 Ca -0.02 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.53 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1lwm h PHE 31 CO 0.08 0.00 -1.60 0.00 -2.02 0.00 0.00 178.31 174.77 1lwm h ALA 32 N 2.04 0.63 0.00 2.41 0.00 -0.43 -1.99 119.26 121.92 1lwm h ALA 32 Ca 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 54.91 53.44 1lwm h ALA 32 Cb 0.41 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1lwm h ALA 32 CO 0.00 1.47 -0.60 -0.91 0.00 0.00 0.00 179.25 179.21 1lwm h ASN 33 N 0.01 0.00 0.07 0.00 -0.26 -0.55 -1.11 115.58 113.74 1lwm h ASN 33 Ca -0.25 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.16 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 0.10 0.60 -1.80 -0.62 -1.06 0.00 0.00 177.43 174.64 1lwm n GLU 34 N -3.58 0.68 0.17 0.81 -0.58 -0.90 -3.97 120.64 113.28 1lwm n GLU 34 Ca -0.00 0.36 0.01 0.00 -0.42 0.00 0.00 57.16 57.11 1lwm n GLU 34 Cb 0.65 -1.70 0.31 0.00 -0.57 0.00 0.00 31.44 30.13 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1lwm h ASN 35 N -0.33 0.02 0.51 1.62 -0.26 -1.44 -2.19 115.58 113.51 1lwm h ASN 35 Ca -0.42 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.28 1lwm h ASN 35 Cb 1.77 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 39.02 1lwm h ASN 35 CO -0.04 0.44 -0.13 0.08 -1.06 0.00 0.00 177.43 176.71 1lwm h ARG 36 N 0.02 0.00 0.02 0.81 -0.00 -1.36 -2.00 114.38 111.86 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 0.75 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.67 1lwm h ARG 36 CO 0.06 0.13 -1.64 -0.44 -0.00 0.00 0.00 179.97 178.08 1lwm h ASP 37 N 0.00 0.05 -0.62 0.08 5.19 -1.54 -2.25 116.42 117.33 1lwm h ASP 37 Ca -0.00 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 1lwm h ASP 37 Cb 0.42 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1lwm h ASP 37 CO 0.02 1.09 0.02 0.40 -3.12 0.00 0.00 179.24 177.65 1lwm h ILE 38 N 0.01 1.27 0.20 0.35 2.04 -0.95 0.40 117.51 120.82 1lwm h ILE 38 Ca -0.26 -1.14 -0.26 0.00 1.00 0.00 0.00 64.86 64.20 1lwm h ILE 38 Cb 1.99 0.76 0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1lwm h ILE 38 CO 0.09 0.42 -1.14 0.58 0.00 0.00 0.00 178.15 178.09 1lwm h VAL 39 N 1.00 1.39 0.00 1.67 2.07 -1.51 -2.56 116.25 118.31 1lwm h VAL 39 Ca 0.18 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1lwm h VAL 39 Cb 0.55 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1lwm h VAL 39 CO 0.03 0.76 0.00 0.03 0.02 0.00 0.00 177.57 178.41 1lwm h ARG 40 N -0.13 0.00 0.18 1.57 3.08 -1.37 0.29 114.38 118.00 1lwm h ARG 40 Ca -0.20 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.51 1lwm h ARG 40 Cb 1.90 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.96 1lwm h ARG 40 CO 0.21 0.00 -1.62 0.66 -1.07 0.00 0.00 179.97 178.15 1lwm h SER 41 N 0.00 0.60 0.84 7.04 4.64 -0.22 -2.20 113.55 124.25 1lwm h SER 41 Ca 0.00 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1lwm h SER 41 Cb 0.41 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1lwm h SER 41 CO 0.00 1.67 -0.30 -0.62 -0.87 0.00 0.00 176.83 176.71 1lwm n GLU 42 N -3.58 0.08 -3.07 4.77 1.02 -0.97 -4.26 120.64 114.63 1lwm n GLU 42 Ca -0.20 0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.81 1lwm n GLU 42 Cb 1.07 -1.57 -0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.69 -0.06 0.27 1.62 3.02 0.99 -4.95 115.26 114.46 1lwm n ASN 43 Ca 0.06 -3.15 0.11 0.00 -0.03 0.00 0.00 54.58 51.57 1lwm n ASN 43 Cb 0.37 0.03 0.61 0.00 -0.61 0.00 0.00 39.78 40.17 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 3.12 0.00 -0.42 3.52 0.11 -1.57 -0.46 132.00 136.30 1lwm h PRO 44 Ca 0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1lwm h PRO 44 Cb 0.99 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1lwm h PRO 44 CO 0.41 0.00 -0.02 0.22 -0.21 0.00 0.00 178.00 178.40 1lwm h ASP 45 N 0.00 0.75 -3.93 -2.05 1.82 -1.93 -3.45 116.42 107.63 1lwm h ASP 45 Ca 0.00 -0.32 -0.19 0.00 -0.39 0.00 0.00 57.03 56.13 1lwm h ASP 45 Cb 0.70 -0.20 0.04 0.00 0.68 0.00 0.00 39.33 40.55 1lwm h ASP 45 CO 0.00 0.89 0.07 2.30 -1.61 0.00 0.00 179.24 180.89 1lwm n ILE 46 N -4.39 0.00 -3.05 2.25 -5.35 -0.18 -5.13 119.36 103.51 1lwm n ILE 46 Ca -0.00 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1lwm n ILE 46 Cb 0.31 -1.30 0.00 0.00 -1.74 0.00 0.00 39.64 36.91 1lwm n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1lwm n THR 47 N -2.15 0.00 -0.48 7.28 -2.24 -1.26 -4.93 114.28 110.49 1lwm n THR 47 Ca 0.07 0.00 0.43 0.00 -2.27 0.00 0.00 64.05 62.28 1lwm n THR 47 Cb 0.25 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.87 0.00 -0.71 4.78 3.57 -1.93 -1.35 116.94 122.17 1lwm h PHE 48 Ca 0.00 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 1lwm h PHE 48 Cb 0.00 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.61 1lwm h PHE 48 CO 0.00 0.00 0.06 0.41 -2.23 0.00 0.00 178.31 176.55 1lwm n GLY 49 N -1.83 -0.91 0.00 2.40 0.00 -1.26 -1.97 105.19 101.62 1lwm n GLY 49 Ca 0.34 0.68 0.00 0.00 0.00 0.00 0.00 46.02 47.04 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 -4.92 0.22 0.11 1.61 3.00 -0.60 -4.71 117.38 112.10 1lwm n GLN 50 Ca 0.18 -0.13 -0.21 0.00 -0.01 0.00 0.00 57.00 56.83 1lwm n GLN 50 Cb 0.60 -0.57 -0.13 0.00 0.00 0.00 0.00 30.24 30.14 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 0.52 1.34 0.02 5.09 2.07 -0.67 -1.11 116.25 123.51 1lwm h VAL 51 Ca 0.00 -2.66 -0.21 0.00 0.82 0.00 0.00 66.70 64.65 1lwm h VAL 51 Cb 0.26 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1lwm h VAL 51 CO 0.00 0.80 -0.94 1.23 0.02 0.00 0.00 177.57 178.67 1lwm h GLY 52 N 0.59 0.20 1.77 2.17 0.00 -1.68 -1.78 103.07 104.34 1lwm h GLY 52 Ca -0.19 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 1lwm h GLY 52 CO 0.24 0.34 -0.77 0.50 0.00 0.00 0.00 176.54 176.85 1lwm h LYS 53 N 0.09 0.00 0.00 4.80 1.79 -1.73 -1.83 116.57 119.69 1lwm h LYS 53 Ca -0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1lwm h LYS 53 Cb 1.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1lwm h LYS 53 CO 0.14 0.52 -0.00 -0.22 -1.08 0.00 0.00 179.45 178.81 1lwm h LYS 54 N 0.00 -0.00 -0.35 3.15 3.64 -1.22 -2.45 116.57 119.35 1lwm h LYS 54 Ca -0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1lwm h LYS 54 Cb 1.48 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 1lwm h LYS 54 CO 0.07 0.87 -0.08 1.37 -2.27 0.00 0.00 179.45 179.40 1lwm h LEU 55 N -0.88 0.56 -0.42 5.20 8.10 -1.44 -2.43 115.31 124.00 1lwm h LEU 55 Ca -0.00 -0.14 -0.02 0.00 0.11 0.00 0.00 57.88 57.83 1lwm h LEU 55 Cb 0.87 -0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.92 1lwm h LEU 55 CO 0.00 0.69 0.18 1.23 -4.11 0.00 0.00 178.44 176.44 1lwm h GLY 56 N 0.93 0.67 1.57 0.17 0.00 -1.40 -0.78 103.07 104.23 1lwm h GLY 56 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1lwm h GLY 56 CO 0.03 0.33 0.17 0.83 0.00 0.00 0.00 176.54 177.90 1lwm h GLU 57 N 0.54 0.56 -0.17 4.80 5.08 -1.19 -1.39 114.58 122.81 1lwm h GLU 57 Ca 0.14 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1lwm h GLU 57 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1lwm h GLU 57 CO -0.01 0.46 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.73 1lwm h LYS 58 N 0.56 0.45 -0.22 2.33 3.64 -0.95 -2.63 116.57 119.75 1lwm h LYS 58 Ca 0.14 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1lwm h LYS 58 Cb 0.10 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1lwm h LYS 58 CO -0.02 0.85 -0.05 2.35 -2.27 0.00 0.00 179.45 180.32 1lwm h TRP 59 N 0.36 0.47 -0.97 1.91 2.91 -0.29 0.39 115.95 120.73 1lwm h TRP 59 Ca 0.02 -0.10 0.05 0.00 1.13 0.00 0.00 58.89 59.99 1lwm h TRP 59 Cb 1.01 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 29.48 1lwm h TRP 59 CO 0.03 0.65 0.62 1.57 -1.03 0.00 0.00 178.44 180.29 1lwm h LYS 60 N 0.15 1.14 -0.00 2.65 2.10 -1.25 0.97 116.57 122.33 1lwm h LYS 60 Ca 0.06 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1lwm h LYS 60 Cb 0.50 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1lwm h LYS 60 CO 0.02 0.75 -0.19 0.00 -2.00 0.00 0.00 179.45 178.04 1lwm n ALA 61 N -2.36 2.89 -2.21 0.07 0.00 -1.00 -4.84 120.51 113.06 1lwm n ALA 61 Ca 0.14 -0.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1lwm n ALA 61 Cb 0.14 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.64 4.26 0.15 0.00 0.05 0.14 -4.93 118.68 115.70 1lwm s LEU 62 Ca 0.23 1.99 -0.34 0.00 0.05 0.00 0.00 54.13 56.06 1lwm s LEU 62 Cb 0.19 -3.54 -0.16 0.00 -2.05 0.00 0.00 46.19 40.63 1lwm s LEU 62 CO 0.53 -0.83 1.14 0.41 -0.55 0.00 0.00 176.35 177.05 1lwm n THR 63 N 5.33 0.78 0.24 5.48 -1.04 -1.26 -4.76 114.28 119.06 1lwm n THR 63 Ca 0.15 -0.20 0.18 0.00 -2.04 0.00 0.00 64.05 62.15 1lwm n THR 63 Cb 0.44 -0.72 0.85 0.00 -1.82 0.00 0.00 70.33 69.07 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 3.33 0.00 -0.71 -2.82 0.11 -1.93 -0.83 132.00 129.15 1lwm h PRO 64 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1lwm h PRO 64 Cb 1.35 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 1lwm h PRO 64 CO 0.70 0.00 0.40 0.93 -0.21 0.00 0.00 178.00 179.81 1lwm h GLU 65 N 0.00 0.98 0.04 1.05 4.39 -2.00 0.42 114.58 119.46 1lwm h GLU 65 Ca 0.07 -0.11 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1lwm h GLU 65 Cb 0.66 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1lwm h GLU 65 CO -0.00 0.73 -1.03 0.93 -1.16 0.00 0.00 179.01 178.48 1lwm h GLU 66 N 0.97 0.12 0.00 2.33 4.39 -1.50 -3.14 114.58 117.75 1lwm h GLU 66 Ca 0.25 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1lwm h GLU 66 Cb 0.02 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1lwm h GLU 66 CO -0.04 1.04 0.00 1.17 -1.16 0.00 0.00 179.01 180.01 1lwm n LYS 67 N -3.48 0.19 -0.40 2.33 4.81 -0.99 -4.02 118.16 116.59 1lwm n LYS 67 Ca -0.03 0.23 -0.08 0.00 -0.87 0.00 0.00 58.31 57.56 1lwm n LYS 67 Cb 0.92 -1.75 -0.06 0.00 0.02 0.00 0.00 35.03 34.16 1lwm n LYS 67 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1lwm n GLN 68 N -2.10 -0.37 0.16 1.64 3.00 0.14 0.21 117.38 120.06 1lwm n GLN 68 Ca 0.05 1.50 0.03 0.00 -0.01 0.00 0.00 57.00 58.57 1lwm n GLN 68 Cb 0.36 -2.21 0.41 0.00 0.00 0.00 0.00 30.24 28.80 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 0.13 0.05 -1.09 0.13 -1.82 -2.33 132.00 127.07 1lwm h PRO 69 Ca 0.21 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1lwm h PRO 69 Cb 0.46 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1lwm h PRO 69 CO -0.95 0.33 -0.02 1.88 -0.23 0.00 0.00 178.00 179.01 1lwm h TYR 70 N 0.13 -0.06 -0.70 1.56 -1.99 -0.45 -0.95 116.97 114.50 1lwm h TYR 70 Ca 0.02 -0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.90 1lwm h TYR 70 Cb 0.42 0.02 -0.11 0.00 2.00 0.00 0.00 36.73 39.06 1lwm h TYR 70 CO 0.00 -0.04 0.13 1.49 -0.00 0.00 0.00 178.16 179.74 1lwm h GLU 71 N -0.08 0.22 -0.61 4.88 4.57 -1.19 0.31 114.58 122.68 1lwm h GLU 71 Ca -0.01 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1lwm h GLU 71 Cb 0.05 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1lwm h GLU 71 CO 0.01 0.14 0.40 0.00 -1.18 0.00 0.00 179.01 178.39 1lwm h ALA 72 N 1.60 1.74 -0.09 2.92 0.00 -1.48 -0.31 119.26 123.64 1lwm h ALA 72 Ca 0.39 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1lwm h ALA 72 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1lwm h ALA 72 CO -0.52 0.18 -0.53 -0.22 0.00 0.00 0.00 179.25 178.16 1lwm h LYS 73 N 0.66 0.26 0.00 0.00 3.64 0.99 -2.22 116.57 119.89 1lwm h LYS 73 Ca 0.25 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1lwm h LYS 73 Cb 0.18 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1lwm h LYS 73 CO -0.07 0.72 -0.43 0.00 -2.27 0.00 0.00 179.45 177.41 1lwm h ALA 74 N 1.25 1.12 0.00 5.00 0.00 0.38 -0.92 119.26 126.09 1lwm h ALA 74 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1lwm h ALA 74 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1lwm h ALA 74 CO 0.08 0.53 -0.94 0.37 0.00 0.00 0.00 179.25 179.29 1lwm h GLN 75 N 0.00 0.40 -0.06 0.00 5.75 -0.98 0.16 115.11 120.38 1lwm h GLN 75 Ca -0.00 -0.43 -0.15 0.00 -0.15 0.00 0.00 58.65 57.92 1lwm h GLN 75 Cb 0.84 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 1lwm h GLN 75 CO 0.06 1.10 -0.62 0.00 -2.65 0.00 0.00 178.83 176.71 1lwm h ALA 76 N 0.75 0.84 0.00 3.38 0.00 -1.16 -2.17 119.26 120.90 1lwm h ALA 76 Ca -0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1lwm h ALA 76 Cb 1.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1lwm h ALA 76 CO 0.16 0.74 -0.73 -0.44 0.00 0.00 0.00 179.25 178.99 1lwm h ASP 77 N 0.16 0.00 0.59 0.00 5.19 -1.14 -2.80 116.42 118.41 1lwm h ASP 77 Ca -0.01 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 1lwm h ASP 77 Cb 1.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 1lwm h ASP 77 CO 0.10 0.43 -0.63 0.50 -3.12 0.00 0.00 179.24 176.52 1lwm h LYS 78 N 0.00 0.03 0.00 3.56 3.64 -0.50 -1.92 116.57 121.39 1lwm h LYS 78 Ca -0.04 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 78 Cb 1.37 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1lwm h LYS 78 CO 0.05 0.65 -0.93 0.87 -2.27 0.00 0.00 179.45 177.81 1lwm h LYS 79 N 0.02 0.00 -0.10 1.90 1.57 -1.42 -2.46 116.57 116.09 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 1lwm h LYS 79 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1lwm h LYS 79 CO 0.08 0.65 -0.77 -0.09 -0.57 0.00 0.00 179.45 178.74 1lwm h ARG 80 N 0.00 0.56 0.07 3.15 1.12 -1.34 0.20 114.38 118.14 1lwm h ARG 80 Ca -0.06 -0.47 -0.28 0.00 -1.11 0.00 0.00 59.98 58.05 1lwm h ARG 80 Cb 1.61 0.10 0.02 0.00 -0.01 0.00 0.00 29.97 31.70 1lwm h ARG 80 CO 0.09 1.10 -1.16 -0.92 -3.11 0.00 0.00 179.97 175.97 1lwm h TYR 81 N 0.38 0.97 0.00 2.20 3.20 -1.43 -2.33 116.97 119.97 1lwm h TYR 81 Ca -0.05 -0.58 -0.04 0.00 3.14 0.00 0.00 58.73 61.20 1lwm h TYR 81 Cb 1.38 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1lwm h TYR 81 CO 0.06 1.42 -0.21 0.93 -1.64 0.00 0.00 178.16 178.72 1lwm h GLU 82 N 0.31 0.00 0.03 1.82 5.08 -1.48 -2.49 114.58 117.84 1lwm h GLU 82 Ca -0.16 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1lwm h GLU 82 Cb 1.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.08 1lwm h GLU 82 CO 0.22 0.21 -0.40 0.77 -1.00 0.00 0.00 179.01 178.82 1lwm h SER 83 N 0.00 0.30 -0.53 1.42 0.02 -0.63 -1.95 113.55 112.18 1lwm h SER 83 Ca -0.00 -0.85 -0.09 0.00 -0.84 0.00 0.00 61.79 60.01 1lwm h SER 83 Cb 1.10 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1lwm h SER 83 CO 0.03 1.11 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.46 1lwm h GLU 84 N -0.48 0.96 -0.60 3.45 5.08 -1.48 -2.16 114.58 119.35 1lwm h GLU 84 Ca -0.06 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1lwm h GLU 84 Cb 1.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1lwm h GLU 84 CO 0.08 0.99 0.02 -0.22 -1.00 0.00 0.00 179.01 178.87 1lwm h LYS 85 N 0.84 1.05 -0.89 2.33 3.64 -1.55 -2.21 116.57 119.77 1lwm h LYS 85 Ca 0.15 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1lwm h LYS 85 Cb 0.58 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1lwm h LYS 85 CO 0.03 1.02 0.47 1.49 -2.27 0.00 0.00 179.45 180.20 1lwm h GLU 86 N 0.94 1.25 -0.56 1.90 4.81 -1.20 -1.98 114.58 119.75 1lwm h GLU 86 Ca 0.17 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1lwm h GLU 86 Cb 0.53 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1lwm h GLU 86 CO 0.03 0.93 0.06 -0.07 -0.73 0.00 0.00 179.01 179.22 1lwm h LEU 87 N 1.25 0.93 0.06 1.64 3.38 -1.18 -1.58 115.31 119.81 1lwm h LEU 87 Ca 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lwm h LEU 87 Cb 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1lwm h LEU 87 CO -0.05 0.97 -0.03 0.22 0.09 0.00 0.00 178.44 179.65 1lwm h TYR 88 N 0.85 -0.07 -0.55 1.13 3.20 -1.02 0.55 116.97 121.06 1lwm h TYR 88 Ca 0.17 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1lwm h TYR 88 Cb 0.46 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1lwm h TYR 88 CO 0.03 -0.04 0.28 -0.97 -1.64 0.00 0.00 178.16 175.82 1lwm h ASN 89 N -0.08 0.68 1.06 -2.11 -1.24 -1.31 -0.76 115.58 111.83 1lwm h ASN 89 Ca -0.01 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 56.89 1lwm h ASN 89 Cb 0.06 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1lwm h ASN 89 CO 0.01 0.57 -0.24 0.00 -1.29 0.00 0.00 177.43 176.49 1lwm h ALA 90 N 1.54 0.97 0.00 1.57 0.00 -0.85 -2.42 119.26 120.07 1lwm h ALA 90 Ca 0.19 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1lwm h ALA 90 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1lwm h ALA 90 CO -0.03 0.30 -1.25 1.79 0.00 0.00 0.00 179.25 180.06 1lwm h THR 91 N 0.00 1.41 -0.02 0.00 1.35 0.25 -3.35 112.91 112.56 1lwm h THR 91 Ca -0.00 -3.17 -0.08 0.00 -0.55 0.00 0.00 66.41 62.61 1lwm h THR 91 Cb 0.83 2.70 0.01 0.00 -1.73 0.00 0.00 68.15 69.96 1lwm h THR 91 CO 0.03 0.81 -0.30 0.25 -0.25 0.00 0.00 175.52 176.06 1lwm h LEU 92 N 0.00 0.31 0.00 3.87 5.85 -1.06 -3.51 115.31 120.77 1lwm h LEU 92 Ca -0.11 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1lwm h LEU 92 Cb 1.86 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1lwm h LEU 92 CO 0.11 0.98 0.00 0.00 -0.34 0.00 0.00 178.44 179.20