#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwc n ARG 19 N 0.00 0.00 -4.51 1.64 1.74 -1.26 -5.21 116.66 109.06 3lwc n ARG 19 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3lwc n ARG 19 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 3lwc n ARG 19 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3lwc s LYS 20 N -1.29 2.69 0.07 5.56 2.20 -1.26 -5.13 119.74 122.58 3lwc s LYS 20 Ca 0.00 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 3lwc s LYS 20 Cb 0.00 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.72 3lwc s LYS 20 CO 0.00 0.64 -0.16 -0.06 -0.36 0.00 0.00 175.35 175.40 3lwc s PHE 21 N -0.92 1.41 0.16 4.03 0.08 -1.26 -5.15 117.98 116.33 3lwc s PHE 21 Ca 0.15 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.77 3lwc s PHE 21 Cb -0.11 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 3lwc s PHE 21 CO 0.05 0.10 0.05 0.95 -0.10 0.00 0.00 175.22 176.27 3lwc s THR 22 N -1.14 0.26 0.49 0.64 -4.23 -1.26 -5.04 115.64 105.37 3lwc s THR 22 Ca 0.02 -1.94 0.22 0.00 -1.18 0.00 0.00 61.69 58.80 3lwc s THR 22 Cb -0.10 -2.16 0.27 0.00 1.34 0.00 0.00 72.50 71.86 3lwc s THR 22 CO 0.03 -0.38 2.11 -0.29 -0.54 0.00 0.00 174.62 175.55 3lwc h ILE 23 N 2.76 0.82 -0.19 2.99 2.10 -1.99 -0.31 117.51 123.69 3lwc h ILE 23 Ca -0.36 -0.31 0.05 0.00 1.08 0.00 0.00 64.86 65.33 3lwc h ILE 23 Cb 1.21 1.18 -0.01 0.00 -1.09 0.00 0.00 36.82 38.11 3lwc h ILE 23 CO 0.59 0.08 0.16 0.00 -1.08 0.00 0.00 178.15 177.91 3lwc h ALA 24 N 1.92 1.99 0.00 0.18 0.00 -2.01 -1.66 119.26 119.68 3lwc h ALA 24 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3lwc h ALA 24 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3lwc h ALA 24 CO 0.01 -0.26 -0.09 -0.44 0.00 0.00 0.00 179.25 178.48 3lwc h ASP 25 N 0.00 0.00 0.37 0.00 3.32 -1.46 -2.98 116.42 115.66 3lwc h ASP 25 Ca 0.09 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.82 3lwc h ASP 25 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3lwc h ASP 25 CO -0.00 0.09 -1.71 0.00 -1.72 0.00 0.00 179.24 175.90 3lwc h ALA 26 N 1.91 0.43 -3.36 3.45 0.00 -1.45 -3.46 119.26 116.78 3lwc h ALA 26 Ca -0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 54.91 53.48 3lwc h ALA 26 Cb 0.32 0.45 0.07 0.00 0.00 0.00 0.00 17.79 18.63 3lwc h ALA 26 CO 0.01 1.29 -0.32 0.43 0.00 0.00 0.00 179.25 180.66 3lwc n SER 27 N -3.37 -3.03 -1.04 0.00 7.64 -1.13 -4.71 113.62 107.98 3lwc n SER 27 Ca -0.21 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.42 3lwc n SER 27 Cb 1.05 -2.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 3lwc n SER 27 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3lwc n LEU 28 N -2.44 0.00 0.00 -3.43 4.77 -1.26 -1.49 117.00 113.15 3lwc n LEU 28 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3lwc n LEU 28 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3lwc n LEU 28 CO 0.28 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.55 3lwc n GLU 29 N 0.75 3.03 0.00 3.23 0.00 -1.26 -4.47 120.64 121.92 3lwc n GLU 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3lwc n GLU 29 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 31.44 30.97 3lwc n GLU 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3lwc n ARG 30 N -0.23 0.00 -3.70 5.31 1.74 -0.56 -4.06 116.66 115.17 3lwc n ARG 30 Ca 0.00 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 3lwc n ARG 30 Cb 0.00 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 29.83 3lwc n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3lwc s SER 31 N -1.86 5.37 0.67 0.55 0.01 -1.25 -5.05 113.70 112.14 3lwc s SER 31 Ca 0.00 -2.54 -0.17 0.00 1.31 0.00 0.00 55.95 54.55 3lwc s SER 31 Cb 0.00 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.29 3lwc s SER 31 CO 0.00 -0.46 0.55 -2.65 0.41 0.00 0.00 173.24 171.10 3lwc n PRO 32 N 3.94 0.40 0.00 12.44 -0.02 -1.26 -4.97 135.00 145.53 3lwc n PRO 32 Ca 0.04 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3lwc n PRO 32 Cb 0.39 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3lwc n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lwc n GLY 33 N 1.67 4.42 0.28 -1.23 0.00 -1.26 -4.84 105.19 104.24 3lwc n GLY 33 Ca 0.11 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 3lwc n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3lwc h GLN 34 N 0.00 0.70 -5.77 1.61 1.08 -1.94 -3.44 115.11 107.36 3lwc h GLN 34 Ca 0.00 -0.18 -0.53 0.00 -1.45 0.00 0.00 58.65 56.49 3lwc h GLN 34 Cb 0.00 -0.09 -0.14 0.00 -0.05 0.00 0.00 27.48 27.20 3lwc h GLN 34 CO 0.00 0.72 -0.71 -1.21 -0.95 0.00 0.00 178.83 176.68 3lwc s GLU 35 N -4.97 1.57 -0.30 1.46 8.01 -1.26 -0.12 118.70 123.09 3lwc s GLU 35 Ca -0.09 -1.76 -0.11 0.00 0.01 0.00 0.00 54.97 53.02 3lwc s GLU 35 Cb 0.15 -1.39 0.15 0.00 -4.31 0.00 0.00 34.13 28.73 3lwc s GLU 35 CO 0.80 0.16 0.79 0.00 0.01 0.00 0.00 175.26 177.02 3lwc s ALA 36 N -2.81 -2.39 -0.28 5.21 0.00 -0.60 -4.97 121.76 115.92 3lwc s ALA 36 Ca 0.28 2.15 0.02 0.00 0.00 0.00 0.00 51.96 54.41 3lwc s ALA 36 Cb 0.00 -1.95 0.08 0.00 0.00 0.00 0.00 23.12 21.25 3lwc s ALA 36 CO 0.12 -1.00 -0.02 -0.51 0.00 0.00 0.00 175.76 174.35 3lwc s ASP 37 N 2.72 4.26 -0.10 0.00 1.01 -1.26 -0.43 116.67 122.87 3lwc s ASP 37 Ca -0.02 -1.54 0.03 0.00 0.71 0.00 0.00 52.55 51.72 3lwc s ASP 37 Cb -0.10 -1.35 0.01 0.00 1.01 0.00 0.00 42.92 42.49 3lwc s ASP 37 CO -0.18 -0.28 -0.19 -0.63 0.21 0.00 0.00 175.17 174.09 3lwc s ILE 38 N 1.22 1.77 0.35 0.77 1.01 -0.32 -4.98 121.20 121.02 3lwc s ILE 38 Ca -0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 3lwc s ILE 38 Cb -0.19 -1.56 -0.09 0.00 0.01 0.00 0.00 42.46 40.62 3lwc s ILE 38 CO -0.09 0.49 1.15 -0.44 0.00 0.00 0.00 174.94 176.06 3lwc s SER 39 N 0.66 6.85 -0.00 3.58 0.01 -1.26 -1.60 113.70 121.93 3lwc s SER 39 Ca -0.13 2.33 0.04 0.00 1.31 0.00 0.00 55.95 59.50 3lwc s SER 39 Cb -0.16 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 3lwc s SER 39 CO 0.03 -0.45 0.13 1.33 0.41 0.00 0.00 173.24 174.69 3lwc n VAL 40 N 0.54 0.00 -3.55 3.43 0.24 0.73 -4.84 118.33 114.88 3lwc n VAL 40 Ca 0.02 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 3lwc n VAL 40 Cb 0.46 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.56 3lwc n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3lwc s GLY 41 N -1.72 -0.43 -0.16 7.63 0.00 -0.96 -5.00 107.32 106.68 3lwc s GLY 41 Ca 0.00 1.72 0.02 0.00 0.00 0.00 0.00 44.72 46.46 3lwc s GLY 41 CO 0.15 1.07 -0.20 -1.31 0.00 0.00 0.00 173.10 172.81 3lwc s ASN 42 N -1.01 3.22 -0.21 1.64 0.01 -1.26 -1.31 114.94 116.01 3lwc s ASN 42 Ca -0.06 -0.60 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 3lwc s ASN 42 Cb -0.01 -1.48 -0.15 0.00 0.41 0.00 0.00 41.25 40.03 3lwc s ASN 42 CO 0.05 0.05 -0.16 0.18 -1.51 0.00 0.00 177.10 175.71 3lwc n LEU 43 N 4.29 2.63 0.00 0.60 4.77 0.19 -4.95 117.00 124.54 3lwc n LEU 43 Ca -0.20 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3lwc n LEU 43 Cb 0.51 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3lwc n LEU 43 CO 0.27 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3lwc n GLY 50 N 2.43 -0.06 3.75 -0.72 0.00 -1.26 -2.91 105.19 106.42 3lwc n GLY 50 Ca -0.36 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 3lwc n GLY 50 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lwc s PRO 51 N -2.00 4.66 -0.27 1.61 0.04 -1.26 -4.82 135.00 132.95 3lwc s PRO 51 Ca 0.00 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 3lwc s PRO 51 Cb 0.00 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 3lwc s PRO 51 CO 0.00 0.22 0.25 0.42 0.04 0.00 0.00 177.00 177.93 3lwc s ILE 52 N -1.01 5.27 -0.06 0.56 1.01 -1.15 -4.13 121.20 121.69 3lwc s ILE 52 Ca 0.45 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.45 3lwc s ILE 52 Cb -0.31 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3lwc s ILE 52 CO 0.39 0.23 -0.16 -0.89 0.00 0.00 0.00 174.94 174.52 3lwc s THR 53 N 1.76 2.93 -0.05 2.92 2.01 -0.67 0.56 115.64 125.09 3lwc s THR 53 Ca 0.10 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.38 3lwc s THR 53 Cb -0.16 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3lwc s THR 53 CO 0.10 0.58 -0.15 0.27 -0.69 0.00 0.00 174.62 174.72 3lwc s ILE 54 N -0.50 2.96 0.30 1.82 -4.36 -0.43 -0.78 121.20 120.21 3lwc s ILE 54 Ca 0.06 -0.76 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 3lwc s ILE 54 Cb -0.12 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3lwc s ILE 54 CO 0.01 0.58 0.42 -0.83 0.24 0.00 0.00 174.94 175.37 3lwc s GLY 55 N -0.62 1.32 0.07 6.27 0.00 -0.27 -0.19 107.32 113.89 3lwc s GLY 55 Ca 0.09 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.44 3lwc s GLY 55 CO 0.01 -1.00 -0.16 -0.19 0.00 0.00 0.00 173.10 171.76 3lwc s TYR 56 N -3.43 1.40 0.09 1.90 1.51 -0.63 -1.05 117.35 117.14 3lwc s TYR 56 Ca 0.30 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 3lwc s TYR 56 Cb 0.01 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 3lwc s TYR 56 CO 0.17 0.09 -0.21 0.20 -1.11 0.00 0.00 175.55 174.69 3lwc s GLY 57 N -1.54 1.22 0.01 0.71 0.00 -0.11 -1.18 107.32 106.44 3lwc s GLY 57 Ca 0.02 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.61 3lwc s GLY 57 CO 0.02 -1.18 -0.22 -1.60 0.00 0.00 0.00 173.10 170.12 3lwc s ARG 58 N -1.69 1.67 -0.07 2.90 3.52 0.43 -0.93 118.95 124.79 3lwc s ARG 58 Ca 0.07 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 3lwc s ARG 58 Cb -0.10 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.62 3lwc s ARG 58 CO 0.04 0.45 -0.10 0.71 -0.81 0.00 0.00 175.30 175.59 3lwc s TYR 59 N -0.62 1.32 0.81 5.12 1.51 0.03 -1.56 117.35 123.95 3lwc s TYR 59 Ca 0.09 -0.51 -0.11 0.00 -1.01 0.00 0.00 57.07 55.52 3lwc s TYR 59 Cb -0.09 -1.03 0.08 0.00 -0.11 0.00 0.00 41.96 40.82 3lwc s TYR 59 CO 0.00 -0.31 1.12 0.00 -1.11 0.00 0.00 175.55 175.25 3lwc s ALA 60 N 0.93 2.02 0.29 3.71 0.00 0.83 -1.39 121.76 128.15 3lwc s ALA 60 Ca -0.10 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 3lwc s ALA 60 Cb -0.15 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 3lwc s ALA 60 CO 0.01 -2.05 1.38 -2.30 0.00 0.00 0.00 175.76 172.80 3lwc n PRO 61 N -3.62 2.17 -2.15 0.00 -0.02 -1.26 -3.61 135.00 126.51 3lwc n PRO 61 Ca 0.10 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.27 3lwc n PRO 61 Cb 0.52 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3lwc n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lwc n GLY 62 N 1.55 0.05 3.71 -1.23 0.00 -0.88 -4.90 105.19 103.50 3lwc n GLY 62 Ca 0.08 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 3lwc n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lwc n GLN 63 N -1.74 0.69 -3.61 1.61 1.13 -1.24 -4.90 117.38 109.33 3lwc n GLN 63 Ca -0.09 -3.33 -0.06 0.00 -1.94 0.00 0.00 57.00 51.58 3lwc n GLN 63 Cb 0.57 0.32 -0.05 0.00 0.11 0.00 0.00 30.24 31.19 3lwc n GLN 63 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3lwc s SER 64 N -4.17 -0.21 0.09 1.08 1.04 -1.26 -1.21 113.70 109.07 3lwc s SER 64 Ca 0.32 0.24 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 3lwc s SER 64 Cb -0.03 0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.36 3lwc s SER 64 CO 0.21 -0.18 0.67 -1.48 0.98 0.00 0.00 173.24 173.44 3lwc s LEU 65 N -0.97 -0.55 -0.06 2.42 2.34 -0.52 -5.00 118.68 116.35 3lwc s LEU 65 Ca 0.04 0.15 0.03 0.00 0.06 0.00 0.00 54.13 54.40 3lwc s LEU 65 Cb -0.01 2.48 0.01 0.00 -0.56 0.00 0.00 46.19 48.11 3lwc s LEU 65 CO -0.04 -0.83 -0.13 -0.89 -1.06 0.00 0.00 176.35 173.40 3lwc s THR 66 N -3.10 1.15 -0.07 5.48 2.01 -1.26 -0.47 115.64 119.37 3lwc s THR 66 Ca -0.01 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 3lwc s THR 66 Cb -0.01 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.49 3lwc s THR 66 CO -0.08 0.35 0.23 -1.61 -0.69 0.00 0.00 174.62 172.82 3lwc s GLU 67 N 0.47 0.31 0.00 4.92 2.02 -0.09 -4.97 118.70 121.36 3lwc s GLU 67 Ca -0.11 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.10 3lwc s GLU 67 Cb -0.14 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.24 3lwc s GLU 67 CO 0.03 -0.05 0.00 2.41 0.02 0.00 0.00 175.26 177.67 3lwc n THR 68 N 2.71 0.00 -0.05 3.63 -1.04 -1.26 -0.82 114.28 117.46 3lwc n THR 68 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3lwc n THR 68 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3lwc n THR 68 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lwc n ALA 70 N -3.00 0.00 -3.02 2.41 0.00 -1.26 -4.86 120.51 110.78 3lwc n ALA 70 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3lwc n ALA 70 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3lwc n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lwc s VAL 71 N 0.00 0.06 0.42 0.00 0.11 -1.26 -4.85 120.40 114.87 3lwc s VAL 71 Ca 0.00 -0.83 -0.25 0.00 -2.93 0.00 0.00 61.98 57.98 3lwc s VAL 71 Cb 0.00 -1.43 -0.08 0.00 -1.53 0.00 0.00 36.38 33.33 3lwc s VAL 71 CO 0.00 -0.27 1.20 -1.81 -3.33 0.00 0.00 175.10 170.89 3lwc s ASP 72 N -2.86 6.37 -0.05 3.54 1.11 -1.12 -3.31 116.67 120.35 3lwc s ASP 72 Ca 0.08 2.41 -0.01 0.00 0.18 0.00 0.00 52.55 55.20 3lwc s ASP 72 Cb 0.01 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.42 3lwc s ASP 72 CO -0.07 -0.79 0.03 -0.62 1.18 0.00 0.00 175.17 174.91 3lwc s ASP 73 N -1.10 1.18 0.25 0.27 -1.08 -1.26 -2.66 116.67 112.27 3lwc s ASP 73 Ca 0.59 0.01 0.06 0.00 -0.52 0.00 0.00 52.55 52.69 3lwc s ASP 73 Cb -0.32 -0.25 -0.03 0.00 -1.46 0.00 0.00 42.92 40.85 3lwc s ASP 73 CO 0.40 -0.21 0.27 -0.69 0.52 0.00 0.00 175.17 175.46 3lwc s VAL 74 N 1.93 4.73 -0.29 1.11 1.01 -0.10 -4.37 120.40 124.43 3lwc s VAL 74 Ca 0.03 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 3lwc s VAL 74 Cb -0.12 -3.58 0.17 0.00 0.00 0.00 0.00 36.38 32.85 3lwc s VAL 74 CO -0.04 -0.33 1.08 -0.51 0.00 0.00 0.00 175.10 175.30 3lwc s ILE 76 N -2.08 0.00 0.07 2.22 2.07 0.12 -1.17 121.20 122.43 3lwc s ILE 76 Ca 0.34 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.28 3lwc s ILE 76 Cb -0.08 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.46 3lwc s ILE 76 CO 0.27 0.00 0.95 -0.69 -1.91 0.00 0.00 174.94 173.56 3lwc s VAL 77 N 1.22 4.64 -0.22 4.00 1.01 -0.56 -1.38 120.40 129.10 3lwc s VAL 77 Ca -0.09 2.03 0.01 0.00 0.00 0.00 0.00 61.98 63.93 3lwc s VAL 77 Cb -0.03 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.90 3lwc s VAL 77 CO -0.13 0.27 -0.21 0.18 0.00 0.00 0.00 175.10 175.22 3lwc n LEU 78 N 3.15 2.88 -3.90 3.92 4.77 0.85 -0.33 117.00 128.34 3lwc n LEU 78 Ca 0.03 -0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 3lwc n LEU 78 Cb 0.50 -0.77 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 3lwc n LEU 78 CO 0.51 0.85 -0.18 -1.61 -1.33 0.00 0.00 177.39 175.63 3lwc s GLU 79 N -2.44 0.59 3.73 3.23 0.41 -1.09 -4.63 118.70 118.50 3lwc s GLU 79 Ca -0.30 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 3lwc s GLU 79 Cb 0.08 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.67 3lwc s GLU 79 CO 0.51 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 3lwc n GLY 80 N 0.89 0.34 3.63 -1.39 0.00 -1.26 -1.28 105.19 106.12 3lwc n GLY 80 Ca -0.20 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 3lwc n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3lwc s ARG 81 N 0.00 0.76 0.10 1.61 3.52 -0.85 -4.00 118.95 120.09 3lwc s ARG 81 Ca 0.00 0.96 0.09 0.00 -0.13 0.00 0.00 55.73 56.66 3lwc s ARG 81 Cb 0.00 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 3lwc s ARG 81 CO 0.00 -0.10 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.64 3lwc s LEU 82 N 0.57 2.28 -0.09 -0.88 1.43 -0.62 -2.09 118.68 119.28 3lwc s LEU 82 Ca -0.01 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 3lwc s LEU 82 Cb -0.05 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 3lwc s LEU 82 CO -0.04 0.15 -0.01 -0.44 0.23 0.00 0.00 176.35 176.24 3lwc s SER 83 N -1.80 5.12 -0.09 2.29 0.01 0.50 -0.44 113.70 119.29 3lwc s SER 83 Ca 0.10 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.48 3lwc s SER 83 Cb -0.10 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.71 3lwc s SER 83 CO 0.04 0.36 -0.12 -0.69 0.41 0.00 0.00 173.24 173.24 3lwc s VAL 84 N -0.80 1.25 0.02 3.43 1.01 0.05 -0.76 120.40 124.59 3lwc s VAL 84 Ca 0.12 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3lwc s VAL 84 Cb -0.11 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3lwc s VAL 84 CO 0.02 0.39 -0.17 -0.44 0.00 0.00 0.00 175.10 174.90 3lwc s SER 85 N 1.01 2.03 0.30 3.32 0.01 0.16 -0.87 113.70 119.66 3lwc s SER 85 Ca -0.07 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.80 3lwc s SER 85 Cb -0.15 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 65.92 3lwc s SER 85 CO -0.01 0.15 0.22 0.35 0.41 0.00 0.00 173.24 174.35 3lwc n THR 86 N 2.22 0.00 -0.08 1.44 -2.24 -0.13 -0.58 114.28 114.90 3lwc n THR 86 Ca -0.16 -1.21 -0.07 0.00 -2.27 0.00 0.00 64.05 60.34 3lwc n THR 86 Cb 0.54 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3lwc n THR 86 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3lwc h ASP 87 N 0.38 0.12 1.43 3.42 3.04 -2.02 -3.27 116.42 119.51 3lwc h ASP 87 Ca -0.19 0.03 -0.05 0.00 -3.24 0.00 0.00 57.03 53.58 3lwc h ASP 87 Cb 0.70 0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 39.00 3lwc h ASP 87 CO 0.30 0.10 -0.23 1.23 -2.04 0.00 0.00 179.24 178.61 3lwc h GLY 88 N 0.24 0.00 -3.15 7.15 0.00 -1.97 -3.47 103.07 101.87 3lwc h GLY 88 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3lwc h GLY 88 CO -0.14 0.00 -0.13 -1.83 0.00 0.00 0.00 176.54 174.44 3lwc s GLU 89 N -3.30 1.01 -0.03 4.80 4.04 -1.23 -5.15 118.70 118.83 3lwc s GLU 89 Ca 0.04 -0.73 0.04 0.00 0.04 0.00 0.00 54.97 54.36 3lwc s GLU 89 Cb 0.08 0.44 -0.00 0.00 0.02 0.00 0.00 34.13 34.66 3lwc s GLU 89 CO 0.67 -0.38 -0.14 0.99 -1.84 0.00 0.00 175.26 174.56 3lwc s THR 90 N -3.70 1.18 0.19 1.83 2.01 -1.26 -0.96 115.64 114.94 3lwc s THR 90 Ca 0.03 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.51 3lwc s THR 90 Cb 0.02 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3lwc s THR 90 CO -0.11 0.34 -0.17 0.68 -0.69 0.00 0.00 174.62 174.68 3lwc s VAL 91 N -0.04 1.84 0.03 3.82 -7.23 -0.05 -4.99 120.40 113.78 3lwc s VAL 91 Ca -0.01 -2.08 0.09 0.00 -1.81 0.00 0.00 61.98 58.17 3lwc s VAL 91 Cb -0.09 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 3lwc s VAL 91 CO 0.01 -0.44 -0.25 0.28 -0.31 0.00 0.00 175.10 174.39 3lwc s THR 92 N -2.47 2.23 -0.14 5.32 -1.32 -1.26 -0.77 115.64 117.24 3lwc s THR 92 Ca 0.20 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 3lwc s THR 92 Cb -0.04 -1.86 0.02 0.00 -1.51 0.00 0.00 72.50 69.12 3lwc s THR 92 CO 0.07 0.42 -0.12 0.00 -2.21 0.00 0.00 174.62 172.79 3lwc s ALA 93 N -0.77 1.65 0.17 11.08 0.00 0.42 -5.00 121.76 129.31 3lwc s ALA 93 Ca 0.12 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3lwc s ALA 93 Cb -0.10 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3lwc s ALA 93 CO 0.02 -0.40 0.18 0.41 0.00 0.00 0.00 175.76 175.97 3lwc n GLY 94 N 4.84 2.44 3.65 0.00 0.00 -1.26 -1.59 105.19 113.26 3lwc n GLY 94 Ca -0.15 -2.18 -0.49 0.00 0.00 0.00 0.00 46.02 43.19 3lwc n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lwc n PRO 95 N -1.13 1.73 -0.26 1.61 -0.02 -1.26 -1.46 135.00 134.21 3lwc n PRO 95 Ca 0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3lwc n PRO 95 Cb 0.18 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3lwc n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lwc n GLY 96 N 3.31 1.35 3.89 -1.23 0.00 0.55 -4.98 105.19 108.07 3lwc n GLY 96 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3lwc n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lwc s GLU 97 N -0.41 3.49 -0.07 1.61 2.02 -0.54 -4.89 118.70 119.91 3lwc s GLU 97 Ca 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.82 3lwc s GLU 97 Cb 0.00 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 3lwc s GLU 97 CO 0.00 0.70 -0.13 0.42 0.02 0.00 0.00 175.26 176.27 3lwc s ILE 98 N -1.24 3.19 -0.13 -1.63 1.01 -1.26 -1.50 121.20 119.64 3lwc s ILE 98 Ca 0.24 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3lwc s ILE 98 Cb -0.13 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.08 3lwc s ILE 98 CO 0.14 0.58 -0.18 -0.69 0.00 0.00 0.00 174.94 174.79 3lwc s VAL 99 N -0.50 1.76 0.65 2.92 1.01 -1.26 -5.01 120.40 119.97 3lwc s VAL 99 Ca 0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3lwc s VAL 99 Cb -0.12 -1.59 0.13 0.00 0.00 0.00 0.00 36.38 34.81 3lwc s VAL 99 CO 0.02 0.49 0.88 0.00 0.00 0.00 0.00 175.10 176.49 3lwc n TYR 100 N 4.20 -3.11 -3.83 5.22 9.36 -1.26 -4.45 117.16 123.29 3lwc n TYR 100 Ca -0.19 -1.45 -0.12 0.00 3.32 0.00 0.00 57.90 59.46 3lwc n TYR 100 Cb 0.51 -0.65 -0.09 0.00 -0.63 0.00 0.00 39.34 38.48 3lwc n TYR 100 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3lwc s PRO 102 N -4.79 0.59 0.18 2.98 0.04 -1.26 -5.02 135.00 127.72 3lwc s PRO 102 Ca 0.57 -0.37 -0.33 0.00 0.04 0.00 0.00 61.00 60.92 3lwc s PRO 102 Cb -0.03 0.25 -0.15 0.00 0.04 0.00 0.00 34.50 34.61 3lwc s PRO 102 CO 0.38 -0.15 1.32 1.17 0.04 0.00 0.00 177.00 179.76 3lwc n LYS 103 N 1.25 1.57 -0.08 4.56 4.81 -1.21 -2.12 118.16 126.94 3lwc n LYS 103 Ca -0.22 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3lwc n LYS 103 Cb 0.56 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.44 3lwc n LYS 103 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3lwc n GLY 104 N 2.33 1.73 3.79 3.14 0.00 -1.26 -4.97 105.19 109.95 3lwc n GLY 104 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3lwc n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lwc s GLU 105 N -0.38 4.44 -0.31 1.61 2.56 -0.90 -5.01 118.70 120.72 3lwc s GLU 105 Ca 0.00 1.06 -0.15 0.00 0.00 0.00 0.00 54.97 55.87 3lwc s GLU 105 Cb 0.00 -3.06 -0.02 0.00 2.00 0.00 0.00 34.13 33.04 3lwc s GLU 105 CO 0.00 0.47 0.38 0.99 -0.56 0.00 0.00 175.26 176.55 3lwc s THR 106 N -1.34 5.15 0.02 -1.70 2.01 -1.26 -4.30 115.64 114.22 3lwc s THR 106 Ca 0.40 0.35 0.09 0.00 0.31 0.00 0.00 61.69 62.84 3lwc s THR 106 Cb -0.20 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3lwc s THR 106 CO 0.24 0.02 -0.26 0.68 -0.69 0.00 0.00 174.62 174.61 3lwc s VAL 107 N 2.09 2.13 -0.21 3.82 -7.23 0.00 -4.51 120.40 116.50 3lwc s VAL 107 Ca 0.14 -1.27 -0.06 0.00 -1.81 0.00 0.00 61.98 58.98 3lwc s VAL 107 Cb -0.16 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3lwc s VAL 107 CO 0.11 0.45 0.04 -0.89 -0.31 0.00 0.00 175.10 174.50 3lwc s THR 108 N -0.73 4.32 -0.20 5.32 2.01 0.25 -0.91 115.64 125.70 3lwc s THR 108 Ca 0.11 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 3lwc s THR 108 Cb -0.10 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 3lwc s THR 108 CO 0.01 0.41 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.68 3lwc s ILE 109 N 0.97 3.60 -0.12 1.82 1.01 0.38 -0.66 121.20 128.19 3lwc s ILE 109 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3lwc s ILE 109 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.73 3lwc s ILE 109 CO 0.02 0.44 -0.17 -0.60 0.00 0.00 0.00 174.94 174.63 3lwc s ARG 110 N 1.07 2.48 0.22 2.79 3.52 0.06 -1.44 118.95 127.66 3lwc s ARG 110 Ca 0.01 -0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 54.73 3lwc s ARG 110 Cb -0.15 -2.08 -0.08 0.00 -1.56 0.00 0.00 34.95 31.08 3lwc s ARG 110 CO 0.00 -0.06 0.77 0.45 -0.81 0.00 0.00 175.30 175.65 3lwc s SER 111 N 0.97 7.20 0.25 -2.12 0.15 -0.35 -0.37 113.70 119.43 3lwc s SER 111 Ca -0.06 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.14 3lwc s SER 111 Cb -0.15 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3lwc s SER 111 CO -0.02 0.07 0.00 1.41 1.20 0.00 0.00 173.24 175.90 3lwc n HIS 112 N 0.96 -2.11 0.47 3.44 -0.00 -0.89 -3.02 115.22 114.07 3lwc n HIS 112 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.80 3lwc n HIS 112 Cb 0.50 0.00 0.44 0.00 -0.00 0.00 0.00 29.99 30.94 3lwc n HIS 112 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3lwc n GLU 113 N -0.62 0.15 -0.27 -0.41 1.02 -1.26 -1.55 120.64 117.70 3lwc n GLU 113 Ca 0.00 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.55 3lwc n GLU 113 Cb 0.00 -1.76 0.20 0.00 -0.02 0.00 0.00 31.44 29.86 3lwc n GLU 113 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3lwc n GLU 114 N -2.03 2.94 0.00 3.49 4.71 -1.26 -4.75 120.64 123.74 3lwc n GLU 114 Ca 0.03 -2.30 0.00 0.00 -0.01 0.00 0.00 57.16 54.88 3lwc n GLU 114 Cb 0.24 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3lwc n GLU 114 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3lwc n GLY 115 N 0.44 0.10 3.46 0.62 0.00 -0.59 -4.75 105.19 104.47 3lwc n GLY 115 Ca 0.15 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 3lwc n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lwc s ALA 116 N -1.63 -1.61 0.03 4.61 0.00 -0.49 -2.01 121.76 120.66 3lwc s ALA 116 Ca 0.00 0.94 0.08 0.00 0.00 0.00 0.00 51.96 52.99 3lwc s ALA 116 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 3lwc s ALA 116 CO 0.00 -0.49 -0.24 -0.51 0.00 0.00 0.00 175.76 174.52 3lwc s LEU 117 N -1.73 2.13 0.12 0.00 1.43 -0.41 -0.79 118.68 119.43 3lwc s LEU 117 Ca -0.07 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3lwc s LEU 117 Cb -0.01 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 3lwc s LEU 117 CO 0.02 0.24 -0.06 0.42 0.23 0.00 0.00 176.35 177.20 3lwc s THR 118 N -0.73 0.72 0.23 5.49 -4.23 -0.10 -0.10 115.64 116.92 3lwc s THR 118 Ca 0.10 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 3lwc s THR 118 Cb -0.09 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 3lwc s THR 118 CO 0.01 -0.79 -0.20 0.00 -0.54 0.00 0.00 174.62 173.10 3lwc s ALA 119 N -3.61 2.69 0.12 3.99 0.00 -0.48 -0.93 121.76 123.55 3lwc s ALA 119 Ca 0.14 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.21 3lwc s ALA 119 Cb 0.05 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.85 3lwc s ALA 119 CO -0.03 0.36 0.41 1.52 0.00 0.00 0.00 175.76 178.02 3lwc s TYR 120 N -2.06 -0.21 -0.06 0.00 -0.85 -0.22 -0.70 117.35 113.24 3lwc s TYR 120 Ca 0.26 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.74 3lwc s TYR 120 Cb -0.07 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.55 3lwc s TYR 120 CO 0.13 -0.70 -0.12 0.08 -1.52 0.00 0.00 175.55 173.43 3lwc s VAL 121 N -3.74 1.07 0.17 -3.49 1.01 -0.32 -1.12 120.40 113.98 3lwc s VAL 121 Ca 0.02 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3lwc s VAL 121 Cb 0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3lwc s VAL 121 CO -0.12 0.34 -0.13 0.42 0.00 0.00 0.00 175.10 175.61 3lwc s THR 122 N 0.60 3.01 0.13 3.92 -4.23 0.04 -0.92 115.64 118.18 3lwc s THR 122 Ca -0.13 -1.69 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 3lwc s THR 122 Cb -0.15 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3lwc s THR 122 CO 0.03 -0.08 0.37 -0.72 -0.54 0.00 0.00 174.62 173.69 3lwc s TYR 123 N -1.61 -0.12 0.48 3.99 -0.85 -1.09 -1.67 117.35 116.49 3lwc s TYR 123 Ca 0.23 -0.22 0.01 0.00 -0.52 0.00 0.00 57.07 56.57 3lwc s TYR 123 Cb -0.09 0.21 0.01 0.00 0.38 0.00 0.00 41.96 42.47 3lwc s TYR 123 CO 0.14 -0.70 0.70 -1.25 -1.52 0.00 0.00 175.55 172.92 3lwc s PRO 124 N -3.83 2.90 0.00 -3.49 0.04 -1.26 -2.79 135.00 126.57 3lwc s PRO 124 Ca 0.04 -0.58 0.26 0.00 0.04 0.00 0.00 61.00 60.77 3lwc s PRO 124 Cb 0.02 -2.53 1.57 0.00 0.04 0.00 0.00 34.50 33.59 3lwc s PRO 124 CO -0.11 -0.41 1.92 0.72 0.04 0.00 0.00 177.00 179.16