#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 4.17 -0.00 2.03 0.24 -1.26 -4.75 118.33 118.76 1lwm n VAL 2 Ca 0.00 -5.32 -0.17 0.00 -2.04 0.00 0.00 64.34 56.81 1lwm n VAL 2 Cb 0.00 -1.39 -0.11 0.00 -1.47 0.00 0.00 33.84 30.86 1lwm n VAL 2 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1lwm h THR 3 N 2.41 1.46 -2.73 3.34 2.02 -2.09 -3.46 112.91 113.86 1lwm h THR 3 Ca 0.41 -2.07 -0.59 0.00 0.77 0.00 0.00 66.41 64.92 1lwm h THR 3 Cb 0.39 2.66 0.11 0.00 -1.74 0.00 0.00 68.15 69.57 1lwm h THR 3 CO 1.10 0.59 0.29 -2.65 0.37 0.00 0.00 175.52 175.22 1lwm n PRO 4 N -4.28 1.63 -2.41 6.66 -0.02 -1.26 -4.94 135.00 130.39 1lwm n PRO 4 Ca -0.10 0.57 -0.17 0.00 -2.02 0.00 0.00 63.50 61.78 1lwm n PRO 4 Cb 0.64 -2.04 0.02 0.00 -0.02 0.00 0.00 33.50 32.11 1lwm n PRO 4 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1lwm n ARG 5 N 0.80 2.80 0.00 -0.52 0.00 -1.26 -5.05 116.66 113.43 1lwm n ARG 5 Ca 0.08 -3.98 0.00 0.00 -0.00 0.00 0.00 57.85 53.95 1lwm n ARG 5 Cb 0.33 -1.98 0.00 0.00 -0.00 0.00 0.00 32.46 30.81 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1lwm n GLU 6 N -0.53 0.00 -0.10 2.89 2.13 -1.26 -5.05 120.64 118.72 1lwm n GLU 6 Ca 0.30 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.06 1lwm n GLU 6 Cb 0.83 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.55 1lwm n GLU 6 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1lwm h PRO 7 N 0.00 -0.05 -2.10 5.31 0.11 -2.03 -3.46 132.00 129.78 1lwm h PRO 7 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.91 1lwm h PRO 7 Cb 0.00 0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.14 1lwm h PRO 7 CO 0.00 -0.03 -0.29 1.17 -0.21 0.00 0.00 178.00 178.64 1lwm n LYS 8 N -5.32 -1.84 0.00 1.05 4.81 -1.26 -4.98 118.16 110.63 1lwm n LYS 8 Ca 0.01 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1lwm n LYS 8 Cb 0.23 -4.46 0.00 0.00 0.02 0.00 0.00 35.03 30.82 1lwm n LYS 8 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1lwm n LYS 9 N -2.24 0.00 -1.24 1.64 4.81 -1.26 -5.08 118.16 114.79 1lwm n LYS 9 Ca -0.08 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.02 1lwm n LYS 9 Cb 0.57 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.50 1lwm n LYS 9 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1lwm n ARG 10 N -0.10 0.00 -4.39 1.64 0.63 -1.26 -4.87 116.66 108.32 1lwm n ARG 10 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 1lwm n ARG 10 Cb 0.00 -1.23 -0.10 0.00 0.45 0.00 0.00 32.46 31.58 1lwm n ARG 10 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1lwm s THR 11 N 7.31 2.72 -0.13 5.15 -4.23 -1.26 -5.01 115.64 120.18 1lwm s THR 11 Ca 1.12 -2.01 0.29 0.00 -1.18 0.00 0.00 61.69 59.92 1lwm s THR 11 Cb -1.04 -2.36 0.33 0.00 1.34 0.00 0.00 72.50 70.77 1lwm s THR 11 CO 0.41 -0.21 1.88 0.74 -0.54 0.00 0.00 174.62 176.89 1lwm h THR 12 N 2.73 0.00 -1.54 3.99 2.02 -2.06 -3.45 112.91 114.60 1lwm h THR 12 Ca -0.45 -0.34 -0.65 0.00 0.77 0.00 0.00 66.41 65.74 1lwm h THR 12 Cb 1.22 1.20 0.10 0.00 -1.74 0.00 0.00 68.15 68.94 1lwm h THR 12 CO 0.54 0.00 -0.23 0.54 0.37 0.00 0.00 175.52 176.74 1lwm n ARG 13 N -2.69 0.52 -4.66 6.66 5.12 -1.26 -4.96 116.66 115.40 1lwm n ARG 13 Ca 0.01 0.18 -0.33 0.00 -1.93 0.00 0.00 57.85 55.78 1lwm n ARG 13 Cb 0.25 -1.37 -0.15 0.00 -1.16 0.00 0.00 32.46 30.03 1lwm n ARG 13 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1lwm s LYS 14 N -1.08 3.29 -0.37 5.56 -2.85 -1.26 -5.08 119.74 117.95 1lwm s LYS 14 Ca 0.64 -0.72 0.02 0.00 -1.00 0.00 0.00 55.97 54.91 1lwm s LYS 14 Cb -0.87 -2.63 0.11 0.00 -2.06 0.00 0.00 37.83 32.39 1lwm s LYS 14 CO 0.57 0.11 0.14 -1.59 0.10 0.00 0.00 175.35 174.67 1lwm s LYS 15 N 0.60 1.18 -0.17 1.78 0.00 -1.26 -4.94 119.74 116.93 1lwm s LYS 15 Ca -0.08 -1.67 -0.07 0.00 0.00 0.00 0.00 55.97 54.16 1lwm s LYS 15 Cb -0.16 -2.52 -0.08 0.00 0.00 0.00 0.00 37.83 35.08 1lwm s LYS 15 CO 0.03 -1.03 -0.20 1.63 0.00 0.00 0.00 175.35 175.78 1lwm n LYS 16 N 4.20 0.36 -2.72 1.78 5.02 -1.26 -4.92 118.16 120.62 1lwm n LYS 16 Ca 0.03 0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 1lwm n LYS 16 Cb 0.39 -1.14 0.10 0.00 -0.02 0.00 0.00 35.03 34.36 1lwm n LYS 16 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1lwm n ASP 17 N -3.60 -2.03 -3.09 4.39 5.68 -1.26 -5.15 116.55 111.48 1lwm n ASP 17 Ca -0.32 -3.12 -0.17 0.00 -0.50 0.00 0.00 54.79 50.68 1lwm n ASP 17 Cb 0.75 1.44 0.14 0.00 -1.14 0.00 0.00 41.12 42.31 1lwm n ASP 17 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1lwm n PRO 18 N -0.08 -2.21 -3.43 0.11 -0.04 -1.26 -4.59 135.00 123.50 1lwm n PRO 18 Ca 0.02 -0.98 -0.34 0.00 -0.04 0.00 0.00 63.50 62.16 1lwm n PRO 18 Cb 0.77 -0.92 0.03 0.00 -0.04 0.00 0.00 33.50 33.34 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 -4.05 -5.83 -2.87 3.54 3.02 -1.26 -4.96 115.26 102.84 1lwm n ASN 19 Ca 0.09 -0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.42 1lwm n ASN 19 Cb 0.33 -2.21 0.05 0.00 -0.61 0.00 0.00 39.78 37.34 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 -0.33 0.60 -1.54 5.41 0.00 -1.26 -4.87 120.51 118.52 1lwm n ALA 20 Ca -0.07 -2.18 -0.38 0.00 0.00 0.00 0.00 53.44 50.81 1lwm n ALA 20 Cb 0.65 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 19.10 1lwm n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1lwm n PRO 21 N 0.21 0.68 0.00 0.00 -0.02 -1.26 -4.97 135.00 129.64 1lwm n PRO 21 Ca 0.11 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1lwm n PRO 21 Cb 0.71 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.62 0.00 0.00 -0.52 3.00 -1.26 -4.95 118.16 113.81 1lwm n LYS 22 Ca 0.13 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 1lwm n LYS 22 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1lwm n LYS 22 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1lwm n ARG 23 N -1.82 0.00 -0.72 1.64 1.85 -1.26 -5.12 116.66 111.23 1lwm n ARG 23 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 1lwm n ARG 23 Cb 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 31.50 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1lwm n ALA 24 N -0.05 -1.70 -2.49 2.89 0.00 -1.26 -5.03 120.51 112.87 1lwm n ALA 24 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1lwm n ALA 24 Cb 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 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 3.44 1.11 0.33 0.00 1.02 -1.26 -5.04 118.68 118.27 1lwm s LEU 25 Ca 0.33 -1.40 0.05 0.00 0.02 0.00 0.00 54.13 53.13 1lwm s LEU 25 Cb -0.02 0.81 -0.07 0.00 0.02 0.00 0.00 46.19 46.94 1lwm s LEU 25 CO 0.42 -1.00 0.04 -0.94 0.02 0.00 0.00 176.35 174.89 1lwm s SER 26 N -3.19 2.62 0.61 2.29 1.04 -1.26 -4.32 113.70 111.48 1lwm s SER 26 Ca 0.35 -1.35 0.28 0.00 0.48 0.00 0.00 55.95 55.71 1lwm s SER 26 Cb 0.04 -0.14 1.44 0.00 0.10 0.00 0.00 66.02 67.46 1lwm s SER 26 CO 0.16 -0.55 1.84 0.00 0.98 0.00 0.00 173.24 175.67 1lwm h ALA 27 N 2.09 2.04 0.10 5.32 0.00 -1.85 0.30 119.26 127.26 1lwm h ALA 27 Ca -0.41 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 1lwm h ALA 27 Cb 1.24 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1lwm h ALA 27 CO 0.71 -0.70 -1.20 -0.92 0.00 0.00 0.00 179.25 177.14 1lwm h TYR 28 N 0.00 0.88 -0.20 0.00 3.20 -1.94 -2.63 116.97 116.27 1lwm h TYR 28 Ca 0.18 -0.55 -0.08 0.00 3.14 0.00 0.00 58.73 61.42 1lwm h TYR 28 Cb 1.19 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1lwm h TYR 28 CO 0.00 1.40 -0.20 1.98 -1.64 0.00 0.00 178.16 179.69 1lwm h MET 29 N 0.24 0.36 0.31 1.82 4.05 -0.81 0.36 114.93 121.25 1lwm h MET 29 Ca -0.16 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.13 1lwm h MET 29 Cb 1.87 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.64 1lwm h MET 29 CO 0.22 0.55 -0.15 0.74 0.23 0.00 0.00 176.91 178.51 1lwm h PHE 30 N 0.33 -0.38 0.00 1.39 0.04 -1.45 0.38 116.94 117.24 1lwm h PHE 30 Ca 0.06 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1lwm h PHE 30 Cb 0.55 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1lwm h PHE 30 CO 0.01 -0.10 0.00 0.35 -0.60 0.00 0.00 178.31 177.97 1lwm h PHE 31 N -1.02 0.00 0.04 -0.55 3.04 -1.46 -2.19 116.94 114.80 1lwm h PHE 31 Ca -0.04 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.61 1lwm h PHE 31 Cb 0.45 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.93 1lwm h PHE 31 CO 0.03 0.00 -1.68 0.00 -2.02 0.00 0.00 178.31 174.64 1lwm h ALA 32 N 2.10 0.60 -0.01 2.41 0.00 -0.27 -1.90 119.26 122.19 1lwm h ALA 32 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 54.91 53.44 1lwm h ALA 32 Cb 0.26 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1lwm h ALA 32 CO 0.00 1.44 -0.53 -0.91 0.00 0.00 0.00 179.25 179.25 1lwm h ASN 33 N 0.02 0.03 0.10 0.00 -0.26 -0.30 -0.33 115.58 114.84 1lwm h ASN 33 Ca -0.28 -0.01 -0.34 0.00 -0.56 0.00 0.00 56.30 55.10 1lwm h ASN 33 Cb 2.00 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 39.23 1lwm h ASN 33 CO 0.10 0.56 -1.86 1.21 -1.06 0.00 0.00 177.43 176.38 1lwm n GLU 34 N -3.91 0.72 0.20 0.81 4.07 -0.97 -4.00 120.64 117.55 1lwm n GLU 34 Ca -0.01 0.33 0.04 0.00 -0.06 0.00 0.00 57.16 57.46 1lwm n GLU 34 Cb 0.54 -1.71 0.41 0.00 -0.06 0.00 0.00 31.44 30.62 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1lwm h ASN 35 N -0.17 0.00 0.56 4.31 -0.26 -1.38 -2.01 115.58 116.62 1lwm h ASN 35 Ca -0.41 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.29 1lwm h ASN 35 Cb 1.87 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.13 1lwm h ASN 35 CO 0.01 0.33 -0.16 0.08 -1.06 0.00 0.00 177.43 176.64 1lwm h ARG 36 N 0.00 0.00 0.05 0.81 0.11 -1.21 -2.05 114.38 112.09 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1lwm h ARG 36 Cb 0.63 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.68 1lwm h ARG 36 CO 0.04 0.16 -1.57 0.22 0.10 0.00 0.00 179.97 178.92 1lwm h ASP 37 N 0.00 0.16 -0.72 0.08 1.82 -1.51 -2.24 116.42 114.01 1lwm h ASP 37 Ca -0.00 -0.27 -0.07 0.00 -0.39 0.00 0.00 57.03 56.30 1lwm h ASP 37 Cb 0.48 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1lwm h ASP 37 CO 0.02 1.23 0.17 0.40 -1.61 0.00 0.00 179.24 179.45 1lwm h ILE 38 N 0.03 1.26 0.13 2.25 2.04 -1.02 0.30 117.51 122.49 1lwm h ILE 38 Ca -0.24 -0.98 -0.26 0.00 1.00 0.00 0.00 64.86 64.38 1lwm h ILE 38 Cb 1.98 0.53 0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1lwm h ILE 38 CO 0.11 0.38 -1.09 0.58 0.00 0.00 0.00 178.15 178.13 1lwm h VAL 39 N 1.08 1.35 0.00 1.67 2.07 -1.50 -2.58 116.25 118.35 1lwm h VAL 39 Ca 0.22 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.29 1lwm h VAL 39 Cb 0.38 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1lwm h VAL 39 CO 0.00 0.73 -0.02 0.03 0.02 0.00 0.00 177.57 178.33 1lwm h ARG 40 N 0.06 0.00 0.22 1.57 3.08 -1.30 0.28 114.38 118.28 1lwm h ARG 40 Ca -0.17 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.54 1lwm h ARG 40 Cb 1.80 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.88 1lwm h ARG 40 CO 0.21 0.02 -1.59 0.77 -1.07 0.00 0.00 179.97 178.31 1lwm h SER 41 N 0.00 0.74 0.96 7.04 0.02 -0.39 -1.57 113.55 120.34 1lwm h SER 41 Ca -0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1lwm h SER 41 Cb 0.40 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1lwm h SER 41 CO 0.00 1.73 -0.23 -0.62 -1.14 0.00 0.00 176.83 176.58 1lwm n GLU 42 N -3.65 0.10 -2.79 3.45 1.02 -0.98 -4.47 120.64 113.32 1lwm n GLU 42 Ca -0.20 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 56.93 1lwm n GLU 42 Cb 1.09 -1.59 0.02 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.76 -3.01 0.11 1.62 6.94 0.94 -4.99 115.26 115.10 1lwm n ASN 43 Ca 0.06 -3.05 0.11 0.00 -0.02 0.00 0.00 54.58 51.67 1lwm n ASN 43 Cb 0.37 1.63 0.46 0.00 -2.36 0.00 0.00 39.78 39.89 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1lwm n PRO 44 N 2.35 0.16 -0.28 -0.53 -0.04 -0.59 -3.06 135.00 133.01 1lwm n PRO 44 Ca 0.15 0.40 -0.02 0.00 -0.04 0.00 0.00 63.50 63.98 1lwm n PRO 44 Cb 0.59 -1.81 0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1lwm n PRO 44 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1lwm h ASP 45 N 0.00 0.82 -3.25 3.54 3.04 -1.94 -3.43 116.42 115.20 1lwm h ASP 45 Ca 0.00 -0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.67 1lwm h ASP 45 Cb 0.33 -0.18 0.03 0.00 -1.04 0.00 0.00 39.33 38.47 1lwm h ASP 45 CO 0.00 0.57 0.06 2.30 -2.04 0.00 0.00 179.24 180.13 1lwm n ILE 46 N -4.60 0.00 -4.03 4.15 -5.35 -1.17 -5.13 119.36 103.22 1lwm n ILE 46 Ca 0.09 -0.34 -0.04 0.00 -0.27 0.00 0.00 62.75 62.19 1lwm n ILE 46 Cb 0.08 -1.52 -0.02 0.00 -1.74 0.00 0.00 39.64 36.45 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 -2.07 0.00 0.20 7.28 -2.24 -1.26 -5.00 114.28 111.18 1lwm n THR 47 Ca 0.04 -0.52 0.18 0.00 -2.27 0.00 0.00 64.05 61.48 1lwm n THR 47 Cb 0.15 0.27 0.78 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 1.23 0.00 -1.25 4.78 3.57 -1.95 -1.14 116.94 122.19 1lwm h PHE 48 Ca -0.05 0.00 0.38 0.00 3.53 0.00 0.00 57.97 61.83 1lwm h PHE 48 Cb 0.26 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.90 1lwm h PHE 48 CO 0.00 0.00 0.82 0.78 -2.23 0.00 0.00 178.31 177.68 1lwm h GLY 49 N 0.00 1.08 0.00 2.40 0.00 -2.00 -1.42 103.07 103.14 1lwm h GLY 49 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1lwm h GLY 49 CO -0.00 -0.26 -0.31 0.61 0.00 0.00 0.00 176.54 176.58 1lwm n GLN 50 N -4.58 3.30 -0.01 4.80 0.00 -0.72 -4.58 117.38 115.59 1lwm n GLN 50 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 57.16 1lwm n GLN 50 Cb 1.27 -0.56 -0.10 0.00 0.00 0.00 0.00 30.24 30.85 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 1.43 -0.00 -0.39 2.07 -0.86 -0.88 116.25 117.61 1lwm h VAL 51 Ca 0.00 -1.99 -0.17 0.00 0.82 0.00 0.00 66.70 65.36 1lwm h VAL 51 Cb 0.00 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1lwm h VAL 51 CO 0.00 0.58 -0.77 1.23 0.02 0.00 0.00 177.57 178.62 1lwm h GLY 52 N -0.10 0.08 1.96 2.17 0.00 -1.50 -1.88 103.07 103.80 1lwm h GLY 52 Ca -0.06 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1lwm h GLY 52 CO 0.11 0.11 -0.65 1.70 0.00 0.00 0.00 176.54 177.80 1lwm h LYS 53 N 0.04 0.00 0.01 4.80 1.63 -1.66 -1.65 116.57 119.74 1lwm h LYS 53 Ca -0.02 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1lwm h LYS 53 Cb 1.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1lwm h LYS 53 CO 0.11 0.61 -0.13 0.87 -3.45 0.00 0.00 179.45 177.46 1lwm h LYS 54 N 0.00 0.07 -0.28 1.90 1.57 -1.11 -2.44 116.57 116.27 1lwm h LYS 54 Ca -0.01 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1lwm h LYS 54 Cb 1.49 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 1lwm h LYS 54 CO 0.08 0.92 -0.12 1.37 -0.57 0.00 0.00 179.45 181.13 1lwm h LEU 55 N -0.73 0.46 -0.50 2.94 8.10 -1.44 -2.40 115.31 121.74 1lwm h LEU 55 Ca -0.02 -0.11 -0.04 0.00 0.11 0.00 0.00 57.88 57.81 1lwm h LEU 55 Cb 0.97 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 41.05 1lwm h LEU 55 CO 0.03 0.61 0.14 1.23 -4.11 0.00 0.00 178.44 176.34 1lwm h GLY 56 N 0.91 0.85 1.53 0.17 0.00 -1.35 -0.84 103.07 104.33 1lwm h GLY 56 Ca 0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1lwm h GLY 56 CO 0.03 0.48 0.08 0.83 0.00 0.00 0.00 176.54 177.96 1lwm h GLU 57 N 0.68 0.60 -0.17 4.80 4.39 -1.16 -1.42 114.58 122.31 1lwm h GLU 57 Ca 0.16 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 1lwm h GLU 57 Cb 0.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1lwm h GLU 57 CO -0.00 0.56 -0.49 -0.22 -1.16 0.00 0.00 179.01 177.70 1lwm h LYS 58 N 0.58 0.44 -0.24 2.33 3.11 -1.06 -2.67 116.57 119.07 1lwm h LYS 58 Ca 0.13 -0.25 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 1lwm h LYS 58 Cb 0.25 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1lwm h LYS 58 CO -0.00 0.83 -0.06 2.35 -2.81 0.00 0.00 179.45 179.76 1lwm h TRP 59 N 0.35 0.53 -0.90 1.91 2.91 -0.47 0.48 115.95 120.76 1lwm h TRP 59 Ca 0.02 -0.11 0.04 0.00 1.13 0.00 0.00 58.89 59.96 1lwm h TRP 59 Cb 0.98 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.45 1lwm h TRP 59 CO 0.03 0.70 0.59 1.57 -1.03 0.00 0.00 178.44 180.30 1lwm h LYS 60 N 0.21 1.07 -0.01 2.65 2.10 -1.24 0.54 116.57 121.88 1lwm h LYS 60 Ca 0.06 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1lwm h LYS 60 Cb 0.53 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1lwm h LYS 60 CO 0.02 0.71 -0.19 0.00 -2.00 0.00 0.00 179.45 177.99 1lwm n ALA 61 N -2.40 2.95 -2.32 0.07 0.00 -1.01 -4.87 120.51 112.93 1lwm n ALA 61 Ca 0.12 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1lwm n ALA 61 Cb 0.13 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.39 4.26 -0.38 0.00 0.05 0.17 -4.87 118.68 115.52 1lwm s LEU 62 Ca 0.28 1.91 -0.34 0.00 0.05 0.00 0.00 54.13 56.02 1lwm s LEU 62 Cb 0.20 -3.55 -0.15 0.00 -2.05 0.00 0.00 46.19 40.64 1lwm s LEU 62 CO 0.48 -0.73 1.41 0.41 -0.55 0.00 0.00 176.35 177.37 1lwm n THR 63 N 5.01 0.00 0.28 5.48 -1.04 -1.26 -4.72 114.28 118.03 1lwm n THR 63 Ca 0.13 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.30 1lwm n THR 63 Cb 0.45 -0.38 0.81 0.00 -1.82 0.00 0.00 70.33 69.39 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 5.28 0.00 -0.43 -2.82 0.11 -1.91 -0.59 132.00 131.64 1lwm h PRO 64 Ca -0.20 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.78 1lwm h PRO 64 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1lwm h PRO 64 CO 0.78 0.00 -0.24 0.93 -0.21 0.00 0.00 178.00 179.26 1lwm h GLU 65 N 0.00 0.90 0.00 1.05 5.08 -2.00 0.40 114.58 120.01 1lwm h GLU 65 Ca 0.00 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 57.83 1lwm h GLU 65 Cb 0.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1lwm h GLU 65 CO 0.00 1.04 -0.86 1.05 -1.00 0.00 0.00 179.01 179.25 1lwm h GLU 66 N 0.77 0.00 0.00 2.33 4.11 -1.46 -3.24 114.58 117.09 1lwm h GLU 66 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1lwm h GLU 66 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1lwm h GLU 66 CO 0.07 0.49 -0.01 -0.22 0.07 0.00 0.00 179.01 179.41 1lwm h LYS 67 N 0.00 0.00 -0.81 1.06 3.11 -1.31 -3.36 116.57 115.27 1lwm h LYS 67 Ca -0.06 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 57.87 1lwm h LYS 67 Cb 1.50 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.61 1lwm h LYS 67 CO 0.07 0.00 -0.52 1.96 -2.81 0.00 0.00 179.45 178.14 1lwm h GLN 68 N 0.00 -0.11 -0.90 1.90 4.20 -0.94 0.35 115.11 119.61 1lwm h GLN 68 Ca 0.00 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1lwm h GLN 68 Cb 0.97 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.70 1lwm h GLN 68 CO 0.00 -0.08 0.58 -1.35 -0.67 0.00 0.00 178.83 177.32 1lwm h PRO 69 N -0.12 0.60 0.89 1.46 0.11 -1.81 -2.15 132.00 130.98 1lwm h PRO 69 Ca 0.18 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1lwm h PRO 69 Cb 0.50 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1lwm h PRO 69 CO -0.84 0.39 -0.43 1.88 -0.21 0.00 0.00 178.00 178.80 1lwm h TYR 70 N 0.61 -1.11 -0.93 0.65 -1.99 -0.55 -1.69 116.97 111.97 1lwm h TYR 70 Ca 0.47 -0.03 0.20 0.00 2.00 0.00 0.00 58.73 61.37 1lwm h TYR 70 Cb 0.87 0.37 -0.11 0.00 2.00 0.00 0.00 36.73 39.85 1lwm h TYR 70 CO -0.00 -0.68 0.50 1.49 -0.00 0.00 0.00 178.16 179.47 1lwm h GLU 71 N -1.29 0.57 -0.55 4.88 4.81 -0.93 0.29 114.58 122.36 1lwm h GLU 71 Ca -0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1lwm h GLU 71 Cb 0.92 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1lwm h GLU 71 CO 0.20 0.38 0.24 0.00 -0.73 0.00 0.00 179.01 179.10 1lwm h ALA 72 N 1.66 1.38 0.00 2.92 0.00 -1.24 -0.93 119.26 123.06 1lwm h ALA 72 Ca 0.56 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1lwm h ALA 72 Cb 0.95 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1lwm h ALA 72 CO -0.44 0.47 -0.57 -0.22 0.00 0.00 0.00 179.25 178.49 1lwm h LYS 73 N 0.78 0.00 0.00 0.00 3.64 0.46 -2.38 116.57 119.07 1lwm h LYS 73 Ca 0.19 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1lwm h LYS 73 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1lwm h LYS 73 CO -0.02 0.57 -0.36 0.00 -2.27 0.00 0.00 179.45 177.38 1lwm h ALA 74 N 1.43 0.84 0.15 5.00 0.00 -0.20 -1.71 119.26 124.76 1lwm h ALA 74 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1lwm h ALA 74 Cb 1.07 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.83 1lwm h ALA 74 CO 0.07 0.45 -1.29 1.96 0.00 0.00 0.00 179.25 180.44 1lwm h GLN 75 N 0.00 0.57 -0.04 0.00 1.08 -0.95 0.40 115.11 116.17 1lwm h GLN 75 Ca -0.00 -0.80 -0.14 0.00 -1.45 0.00 0.00 58.65 56.25 1lwm h GLN 75 Cb 1.11 0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1lwm h GLN 75 CO 0.05 1.37 -0.63 0.00 -0.95 0.00 0.00 178.83 178.66 1lwm h ALA 76 N 0.31 0.86 0.00 3.87 0.00 -1.42 -2.26 119.26 120.62 1lwm h ALA 76 Ca -0.19 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 1lwm h ALA 76 Cb 1.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1lwm h ALA 76 CO 0.24 0.76 -0.93 0.22 0.00 0.00 0.00 179.25 179.54 1lwm h ASP 77 N 0.11 0.00 0.74 0.00 3.58 -1.35 -2.85 116.42 116.64 1lwm h ASP 77 Ca -0.01 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 1lwm h ASP 77 Cb 1.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1lwm h ASP 77 CO 0.09 0.14 -0.69 0.50 -2.88 0.00 0.00 179.24 176.40 1lwm h LYS 78 N 0.00 0.00 0.00 0.28 3.64 -0.04 -1.39 116.57 119.06 1lwm h LYS 78 Ca -0.03 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1lwm h LYS 78 Cb 1.13 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1lwm h LYS 78 CO 0.01 0.69 -1.42 0.87 -2.27 0.00 0.00 179.45 177.34 1lwm h LYS 79 N 0.00 0.00 0.00 1.90 1.57 -1.49 -1.96 116.57 116.59 1lwm h LYS 79 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1lwm h LYS 79 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1lwm h LYS 79 CO 0.09 0.49 -0.61 0.00 -0.57 0.00 0.00 179.45 178.85 1lwm h ARG 80 N 0.00 0.00 0.05 3.15 3.08 -1.46 -0.51 114.38 118.69 1lwm h ARG 80 Ca -0.18 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.52 1lwm h ARG 80 Cb 1.79 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.79 1lwm h ARG 80 CO 0.07 0.61 -2.03 0.98 -1.07 0.00 0.00 179.97 178.54 1lwm n TYR 81 N -3.37 0.81 0.18 3.04 4.19 -0.53 -3.39 117.16 118.09 1lwm n TYR 81 Ca 0.01 0.22 0.08 0.00 3.31 0.00 0.00 57.90 61.51 1lwm n TYR 81 Cb 0.73 -1.12 0.10 0.00 0.49 0.00 0.00 39.34 39.53 1lwm n TYR 81 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1lwm h GLU 82 N 0.03 0.00 0.01 2.98 5.08 -1.43 -2.29 114.58 118.95 1lwm h GLU 82 Ca -0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1lwm h GLU 82 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1lwm h GLU 82 CO 0.05 0.23 -0.09 1.03 -1.00 0.00 0.00 179.01 179.23 1lwm h SER 83 N 0.00 0.06 -0.53 1.42 0.87 -1.24 -1.60 113.55 112.52 1lwm h SER 83 Ca -0.01 -0.89 -0.12 0.00 -1.23 0.00 0.00 61.79 59.54 1lwm h SER 83 Cb 1.18 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1lwm h SER 83 CO 0.03 0.95 -0.13 -0.33 -0.53 0.00 0.00 176.83 176.82 1lwm h GLU 84 N -0.82 1.03 -0.40 2.24 5.08 -1.65 -2.20 114.58 117.86 1lwm h GLU 84 Ca -0.01 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 57.83 1lwm h GLU 84 Cb 0.97 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1lwm h GLU 84 CO 0.02 1.08 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.64 1lwm h LYS 85 N 0.90 0.83 -0.65 2.33 3.64 -1.53 -2.26 116.57 119.84 1lwm h LYS 85 Ca 0.13 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1lwm h LYS 85 Cb 0.71 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1lwm h LYS 85 CO 0.05 0.99 0.26 1.49 -2.27 0.00 0.00 179.45 179.98 1lwm h GLU 86 N 0.72 0.96 -0.66 1.90 4.81 -1.15 -2.26 114.58 118.90 1lwm h GLU 86 Ca 0.09 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1lwm h GLU 86 Cb 0.79 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1lwm h GLU 86 CO 0.07 0.80 0.10 -0.07 -0.73 0.00 0.00 179.01 179.18 1lwm h LEU 87 N 0.91 1.07 0.14 1.64 -0.00 -1.28 0.27 115.31 118.05 1lwm h LEU 87 Ca 0.22 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1lwm h LEU 87 Cb 0.20 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1lwm h LEU 87 CO -0.02 1.06 -0.13 0.22 -0.00 0.00 0.00 178.44 179.58 1lwm h TYR 88 N 1.03 -0.33 0.00 1.13 3.20 -1.11 0.38 116.97 121.27 1lwm h TYR 88 Ca 0.20 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1lwm h TYR 88 Cb 0.46 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1lwm h TYR 88 CO 0.03 -0.20 -0.10 -2.95 -1.64 0.00 0.00 178.16 173.31 1lwm h ASN 89 N -0.29 0.00 0.80 -2.11 -1.07 -1.35 0.05 115.58 111.61 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 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 1lwm h ASN 89 CO -0.02 0.10 -0.47 0.00 0.07 0.00 0.00 177.43 177.10 1lwm n ALA 90 N -2.15 3.02 0.14 4.14 0.00 0.08 -1.62 120.51 124.12 1lwm n ALA 90 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.26 1lwm n ALA 90 Cb 0.37 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1lwm n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1lwm n THR 91 N -1.86 0.00 -0.11 0.00 5.66 0.13 -4.62 114.28 113.48 1lwm n THR 91 Ca 0.05 -0.28 -0.15 0.00 -3.05 0.00 0.00 64.05 60.62 1lwm n THR 91 Cb 0.39 0.39 -0.11 0.00 -1.55 0.00 0.00 70.33 69.45 1lwm n THR 91 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1lwm n LEU 92 N -1.81 2.60 0.00 1.09 -0.00 -0.04 -5.07 117.00 113.77 1lwm n LEU 92 Ca -0.01 -0.11 0.10 0.00 -0.00 0.00 0.00 56.01 55.99 1lwm n LEU 92 Cb 0.32 -0.64 0.58 0.00 -0.00 0.00 0.00 43.42 43.68 1lwm n LEU 92 CO 0.28 0.83 0.78 0.00 -0.00 0.00 0.00 177.39 179.27