#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vas s ARG 3 N 0.00 0.65 -0.04 -2.82 3.52 -1.26 -4.95 118.95 114.05 1vas s ARG 3 Ca 0.00 0.97 0.05 0.00 -0.13 0.00 0.00 55.73 56.63 1vas s ARG 3 Cb 0.00 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1vas s ARG 3 CO 0.00 -0.12 -0.20 0.42 -0.81 0.00 0.00 175.30 174.58 1vas s ILE 4 N 0.99 2.52 0.18 4.11 -1.09 -1.26 -4.70 121.20 121.95 1vas s ILE 4 Ca -0.05 -0.92 0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1vas s ILE 4 Cb -0.05 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 1vas s ILE 4 CO -0.09 0.58 -0.05 0.20 -1.23 0.00 0.00 174.94 174.35 1vas s ASN 5 N -0.55 4.48 0.00 3.58 0.01 -1.26 -4.99 114.94 116.21 1vas s ASN 5 Ca 0.08 -0.50 0.23 0.00 -0.71 0.00 0.00 52.86 51.96 1vas s ASN 5 Cb -0.11 -0.85 0.09 0.00 0.41 0.00 0.00 41.25 40.79 1vas s ASN 5 CO 0.01 0.10 1.17 0.18 -1.51 0.00 0.00 177.10 177.04 1vas n LEU 6 N -0.05 2.50 -4.75 0.60 4.77 -1.26 -4.97 117.00 113.84 1vas n LEU 6 Ca -0.10 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 1vas n LEU 6 Cb 0.55 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1vas n LEU 6 CO 0.37 0.44 1.05 0.41 -1.33 0.00 0.00 177.39 178.32 1vas n THR 7 N 0.64 2.04 -1.67 -5.08 -1.04 -1.26 -4.91 114.28 102.99 1vas n THR 7 Ca 0.12 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.18 1vas n THR 7 Cb 0.53 -1.83 -0.04 0.00 -1.82 0.00 0.00 70.33 67.18 1vas n THR 7 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1vas n LEU 8 N 0.53 3.88 0.33 -4.42 7.94 -1.26 -4.85 117.00 119.15 1vas n LEU 8 Ca 0.03 0.95 0.21 0.00 -1.11 0.00 0.00 56.01 56.08 1vas n LEU 8 Cb 0.38 -1.48 1.13 0.00 0.53 0.00 0.00 43.42 43.98 1vas n LEU 8 CO 0.63 0.10 1.17 -0.37 -1.11 0.00 0.00 177.39 177.81 1vas h VAL 9 N 5.31 0.09 -0.12 1.96 -1.51 -1.97 -2.80 116.25 117.22 1vas h VAL 9 Ca -0.49 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1vas h VAL 9 Cb 1.25 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1vas h VAL 9 CO 0.94 0.00 -0.05 0.28 -1.23 0.00 0.00 177.57 177.51 1vas h SER 10 N 0.00 0.15 -0.56 4.19 0.02 -1.97 -2.88 113.55 112.50 1vas h SER 10 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1vas h SER 10 Cb 0.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1vas h SER 10 CO -0.00 0.24 0.00 -0.62 -1.14 0.00 0.00 176.83 175.30 1vas n GLU 11 N -4.38 2.90 -2.18 3.45 1.02 -1.05 -5.00 120.64 115.40 1vas n GLU 11 Ca -0.01 -2.46 -0.40 0.00 -0.02 0.00 0.00 57.16 54.26 1vas n GLU 11 Cb 0.19 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1vas n GLU 11 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vas s LEU 12 N -1.15 4.41 0.34 -4.62 1.43 -1.09 -4.98 118.68 113.02 1vas s LEU 12 Ca 0.39 2.60 -0.28 0.00 -1.03 0.00 0.00 54.13 55.81 1vas s LEU 12 Cb 0.21 -3.70 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 1vas s LEU 12 CO 0.25 -0.52 1.26 0.00 0.23 0.00 0.00 176.35 177.57 1vas s ALA 13 N -1.18 3.43 0.32 4.21 0.00 -1.26 -4.71 121.76 122.57 1vas s ALA 13 Ca 0.50 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.70 1vas s ALA 13 Cb -0.38 -3.44 0.91 0.00 0.00 0.00 0.00 23.12 20.21 1vas s ALA 13 CO 0.50 -0.57 1.59 -0.44 0.00 0.00 0.00 175.76 176.84 1vas h ASP 14 N 3.33 -0.15 -0.46 0.00 3.32 -1.04 0.42 116.42 121.84 1vas h ASP 14 Ca -0.49 0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 1vas h ASP 14 Cb 1.23 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 1vas h ASP 14 CO 0.65 -0.33 0.03 1.56 -1.72 0.00 0.00 179.24 179.43 1vas h GLN 15 N 0.05 0.79 0.00 3.56 7.50 -1.90 -1.11 115.11 124.00 1vas h GLN 15 Ca 0.66 -0.24 -0.09 0.00 0.50 0.00 0.00 58.65 59.48 1vas h GLN 15 Cb 1.49 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.93 1vas h GLN 15 CO -0.82 0.83 -0.44 0.45 -1.50 0.00 0.00 178.83 177.35 1vas h HIS 16 N 0.64 0.00 -0.28 2.96 3.86 -0.81 -0.27 115.15 121.26 1vas h HIS 16 Ca 0.13 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1vas h HIS 16 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1vas h HIS 16 CO 0.03 0.44 -0.03 1.25 0.86 0.00 0.00 177.93 180.49 1vas h LEU 17 N 0.00 0.50 0.02 2.43 5.85 0.09 -2.32 115.31 121.87 1vas h LEU 17 Ca -0.00 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1vas h LEU 17 Cb 0.78 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1vas h LEU 17 CO 0.06 0.71 -0.01 0.24 -0.34 0.00 0.00 178.44 179.10 1vas h MET 18 N 0.28 -0.03 -0.79 1.25 2.86 -0.92 -1.71 114.93 115.87 1vas h MET 18 Ca 0.07 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.88 1vas h MET 18 Cb 0.47 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 1vas h MET 18 CO 0.02 0.30 0.53 0.00 1.06 0.00 0.00 176.91 178.82 1vas h ALA 19 N 0.61 2.13 0.04 6.32 0.00 -1.08 -0.71 119.26 126.56 1vas h ALA 19 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1vas h ALA 19 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vas h ALA 19 CO 0.00 -0.35 -1.02 1.49 0.00 0.00 0.00 179.25 179.37 1vas h GLU 20 N 0.42 0.35 -0.07 0.00 4.81 -1.23 -1.14 114.58 117.71 1vas h GLU 20 Ca 0.39 -0.42 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1vas h GLU 20 Cb 0.92 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1vas h GLU 20 CO -0.13 1.12 -0.14 -0.92 -0.73 0.00 0.00 179.01 178.21 1vas h TYR 21 N 0.17 -0.34 0.00 0.92 3.20 -0.20 -0.31 116.97 120.41 1vas h TYR 21 Ca -0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1vas h TYR 21 Cb 1.68 0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1vas h TYR 21 CO 0.06 -0.20 -0.27 0.07 -1.64 0.00 0.00 178.16 176.17 1vas h ARG 22 N -0.19 0.00 0.09 1.82 0.11 -1.49 -3.37 114.38 111.34 1vas h ARG 22 Ca 0.07 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.89 1vas h ARG 22 Cb 0.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 1vas h ARG 22 CO -0.19 0.00 -1.34 1.96 0.10 0.00 0.00 179.97 180.51 1vas h GLN 23 N 0.00 0.20 -0.71 0.08 4.20 -0.90 -3.39 115.11 114.59 1vas h GLN 23 Ca 0.00 -0.34 0.15 0.00 0.06 0.00 0.00 58.65 58.52 1vas h GLN 23 Cb 0.91 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.68 1vas h GLN 23 CO 0.00 1.16 -0.12 1.25 -0.67 0.00 0.00 178.83 180.46 1vas h LEU 24 N -0.42 -0.55 0.00 1.46 6.46 -1.22 0.33 115.31 121.37 1vas h LEU 24 Ca -0.30 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1vas h LEU 24 Cb 1.67 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 42.00 1vas h LEU 24 CO 0.02 -0.21 0.07 -2.65 -0.62 0.00 0.00 178.44 175.05 1vas n PRO 25 N -5.42 0.00 0.25 5.25 -0.02 -1.26 -1.28 135.00 132.52 1vas n PRO 25 Ca 0.10 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 1vas n PRO 25 Cb 0.39 -1.57 0.62 0.00 -0.02 0.00 0.00 33.50 32.91 1vas n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vas h ARG 26 N 0.00 0.00 0.01 -0.52 3.08 -0.55 -3.15 114.38 113.25 1vas h ARG 26 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1vas h ARG 26 Cb 0.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.22 1vas h ARG 26 CO 0.00 0.11 -0.80 0.28 -1.07 0.00 0.00 179.97 178.49 1vas h VAL 27 N 0.00 1.37 -1.00 2.04 2.07 -1.36 -2.66 116.25 116.70 1vas h VAL 27 Ca -0.00 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.41 1vas h VAL 27 Cb 0.57 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.81 1vas h VAL 27 CO 0.01 0.65 0.65 -0.26 0.02 0.00 0.00 177.57 178.64 1vas h PHE 28 N 0.10 1.20 -0.20 1.57 0.04 -1.73 -1.35 116.94 116.57 1vas h PHE 28 Ca -0.10 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.54 1vas h PHE 28 Cb 1.49 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1vas h PHE 28 CO 0.13 0.64 -0.52 0.78 -0.60 0.00 0.00 178.31 178.74 1vas h GLY 29 N 1.20 0.63 1.04 -1.45 0.00 -1.60 -1.18 103.07 101.71 1vas h GLY 29 Ca 0.42 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1vas h GLY 29 CO -0.16 0.64 0.11 0.00 0.00 0.00 0.00 176.54 177.13 1vas h ALA 30 N 0.98 0.83 -0.09 3.60 0.00 -1.00 -2.27 119.26 121.30 1vas h ALA 30 Ca 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1vas h ALA 30 Cb 1.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1vas h ALA 30 CO 0.10 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 180.16 1vas h VAL 31 N 0.94 1.32 -0.83 0.00 2.07 -1.25 -2.71 116.25 115.79 1vas h VAL 31 Ca 0.19 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.76 1vas h VAL 31 Cb 0.41 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1vas h VAL 31 CO 0.01 0.30 0.46 0.03 0.02 0.00 0.00 177.57 178.39 1vas h ARG 32 N -0.17 0.71 -0.53 1.57 3.08 -1.14 0.46 114.38 118.35 1vas h ARG 32 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1vas h ARG 32 Cb 0.50 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1vas h ARG 32 CO 0.01 0.47 0.31 -0.22 -1.07 0.00 0.00 179.97 179.47 1vas h LYS 33 N 0.73 0.74 -0.59 0.04 3.64 -1.38 0.34 116.57 120.08 1vas h LYS 33 Ca 0.42 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1vas h LYS 33 Cb 0.47 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1vas h LYS 33 CO -0.29 0.55 0.01 0.45 -2.27 0.00 0.00 179.45 177.90 1vas h HIS 34 N 0.72 1.14 -0.73 1.91 3.86 -1.06 0.85 115.15 121.84 1vas h HIS 34 Ca 0.19 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1vas h HIS 34 Cb 0.02 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 1vas h HIS 34 CO -0.02 1.01 0.42 0.28 0.86 0.00 0.00 177.93 180.48 1vas h VAL 35 N 0.94 1.21 -0.40 2.45 2.07 -0.24 0.36 116.25 122.65 1vas h VAL 35 Ca 0.17 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1vas h VAL 35 Cb 0.55 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1vas h VAL 35 CO 0.03 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.92 1vas h ALA 36 N 1.45 0.53 0.00 1.67 0.00 0.23 -0.34 119.26 122.81 1vas h ALA 36 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vas h ALA 36 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1vas h ALA 36 CO -0.05 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.53 1vas n ASN 37 N -4.53 0.00 -0.01 0.00 4.13 0.24 -4.83 115.26 110.25 1vas n ASN 37 Ca -0.01 -0.40 -0.00 0.00 1.68 0.00 0.00 54.58 55.85 1vas n ASN 37 Cb 0.23 -0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.43 1vas n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vas n GLY 38 N -0.06 0.47 3.79 7.41 0.00 0.29 -5.03 105.19 112.07 1vas n GLY 38 Ca 0.11 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1vas n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vas s LYS 39 N -0.55 3.86 0.20 1.61 1.02 0.10 -4.96 119.74 121.03 1vas s LYS 39 Ca 0.00 1.40 0.08 0.00 0.02 0.00 0.00 55.97 57.47 1vas s LYS 39 Cb 0.00 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1vas s LYS 39 CO 0.00 -0.38 0.02 1.03 -0.92 0.00 0.00 175.35 175.09 1vas s ARG 40 N -3.09 2.43 0.58 1.68 1.81 -1.26 -4.39 118.95 116.71 1vas s ARG 40 Ca 0.66 -1.17 0.28 0.00 -1.72 0.00 0.00 55.73 53.78 1vas s ARG 40 Cb -0.18 -2.34 1.59 0.00 -0.45 0.00 0.00 34.95 33.58 1vas s ARG 40 CO 0.22 0.43 2.07 -0.24 -0.68 0.00 0.00 175.30 177.10 1vas h VAL 41 N 2.24 0.51 -0.00 3.52 3.04 -1.95 -0.06 116.25 123.55 1vas h VAL 41 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1vas h VAL 41 Cb 1.22 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1vas h VAL 41 CO 0.59 0.00 -0.06 -2.11 -1.01 0.00 0.00 177.57 174.98 1vas n ARG 42 N -3.89 0.96 -0.12 4.17 -4.01 -1.26 -3.11 116.66 109.40 1vas n ARG 42 Ca 0.03 -0.31 0.05 0.00 -1.04 0.00 0.00 57.85 56.58 1vas n ARG 42 Cb 0.38 -1.49 0.17 0.00 -3.04 0.00 0.00 32.46 28.48 1vas n ARG 42 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1vas n ASP 43 N -0.74 1.41 -4.27 2.89 8.00 -0.04 -4.82 116.55 118.98 1vas n ASP 43 Ca 0.18 -1.93 -0.28 0.00 0.71 0.00 0.00 54.79 53.46 1vas n ASP 43 Cb 0.25 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.03 1vas n ASP 43 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1vas s PHE 44 N -1.68 2.03 -1.39 1.24 0.08 -1.18 -5.02 117.98 112.07 1vas s PHE 44 Ca 0.20 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 1vas s PHE 44 Cb 0.11 -1.28 0.09 0.00 -0.57 0.00 0.00 43.02 41.37 1vas s PHE 44 CO 0.15 0.01 2.09 1.17 -0.10 0.00 0.00 175.22 178.53 1vas n LYS 45 N 2.28 3.17 -2.47 0.44 4.81 -1.26 -4.95 118.16 120.17 1vas n LYS 45 Ca -0.16 -2.98 -0.42 0.00 -0.87 0.00 0.00 58.31 53.88 1vas n LYS 45 Cb 0.52 -3.14 -0.03 0.00 0.02 0.00 0.00 35.03 32.40 1vas n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1vas s ILE 46 N 2.05 4.09 0.42 3.15 1.01 -1.26 -4.87 121.20 125.79 1vas s ILE 46 Ca 0.44 1.56 -0.24 0.00 0.00 0.00 0.00 60.65 62.41 1vas s ILE 46 Cb 0.12 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1vas s ILE 46 CO -0.05 0.16 1.11 -0.55 0.00 0.00 0.00 174.94 175.60 1vas s SER 47 N 0.79 6.53 0.47 3.58 0.15 -1.26 -4.96 113.70 118.99 1vas s SER 47 Ca 0.56 2.17 0.27 0.00 0.70 0.00 0.00 55.95 59.65 1vas s SER 47 Cb -0.28 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.25 1vas s SER 47 CO 0.30 -0.66 1.78 1.55 1.20 0.00 0.00 173.24 177.41 1vas h PRO 48 N 2.37 0.00 -4.17 5.44 0.13 -1.99 -3.45 132.00 130.33 1vas h PRO 48 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 1vas h PRO 48 Cb 1.23 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1vas h PRO 48 CO 0.62 0.09 -0.70 0.95 -0.23 0.00 0.00 178.00 178.72 1vas s THR 49 N -3.45 0.24 0.55 1.56 -4.23 -1.26 -5.13 115.64 103.92 1vas s THR 49 Ca 0.03 -1.18 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1vas s THR 49 Cb 0.08 -0.65 -0.06 0.00 1.34 0.00 0.00 72.50 73.20 1vas s THR 49 CO 0.62 -0.60 1.04 0.33 -0.54 0.00 0.00 174.62 175.47 1vas n PHE 50 N 1.19 1.16 -3.64 3.99 7.35 -1.26 -5.02 117.46 121.22 1vas n PHE 50 Ca -0.21 0.46 -0.12 0.00 -0.76 0.00 0.00 57.45 56.82 1vas n PHE 50 Cb 0.56 -2.20 -0.05 0.00 0.35 0.00 0.00 39.48 38.14 1vas n PHE 50 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1vas s ILE 51 N -1.42 0.06 -0.05 -2.13 -0.00 -1.26 -5.05 121.20 111.35 1vas s ILE 51 Ca 0.72 -0.48 0.04 0.00 -0.00 0.00 0.00 60.65 60.93 1vas s ILE 51 Cb -0.45 -1.04 -0.02 0.00 -0.00 0.00 0.00 42.46 40.94 1vas s ILE 51 CO 0.50 -0.27 -0.17 -0.76 -0.00 0.00 0.00 174.94 174.24 1vas s LEU 52 N -2.34 2.56 0.00 0.37 1.43 -1.26 -4.41 118.68 115.03 1vas s LEU 52 Ca -0.02 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1vas s LEU 52 Cb 0.00 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1vas s LEU 52 CO -0.06 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1vas n GLY 53 N 2.49 0.85 3.67 -3.19 0.00 -1.26 -4.85 105.19 102.90 1vas n GLY 53 Ca -0.17 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1vas n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vas s ALA 54 N -2.00 3.62 0.00 4.61 0.00 -1.26 -1.13 121.76 125.60 1vas s ALA 54 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1vas s ALA 54 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1vas s ALA 54 CO 0.00 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1vas n GLY 55 N 4.40 0.39 0.21 0.00 0.00 -1.26 -5.00 105.19 103.93 1vas n GLY 55 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1vas n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1vas h HIS 56 N 0.00 -0.51 -0.20 1.61 2.76 -1.34 -1.80 115.15 115.67 1vas h HIS 56 Ca 0.00 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 1vas h HIS 56 Cb 0.00 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1vas h HIS 56 CO 0.00 -0.31 -0.28 -0.39 -1.30 0.00 0.00 177.93 175.65 1vas h VAL 57 N -0.53 1.27 -0.78 5.26 -1.51 -1.90 -2.04 116.25 116.03 1vas h VAL 57 Ca -0.05 -1.29 0.05 0.00 -1.23 0.00 0.00 66.70 64.19 1vas h VAL 57 Cb 0.41 1.43 -0.05 0.00 -2.13 0.00 0.00 31.29 30.95 1vas h VAL 57 CO 0.08 0.40 0.51 0.74 -1.23 0.00 0.00 177.57 178.07 1vas h THR 58 N 0.34 1.06 -0.97 7.19 2.02 -1.95 0.31 112.91 120.91 1vas h THR 58 Ca 0.05 -0.30 0.20 0.00 0.77 0.00 0.00 66.41 67.13 1vas h THR 58 Cb 0.68 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 1vas h THR 58 CO 0.05 0.16 0.61 0.15 0.37 0.00 0.00 175.52 176.86 1vas h PHE 59 N 0.87 0.85 -0.14 3.16 3.57 -0.56 0.53 116.94 125.24 1vas h PHE 59 Ca 0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1vas h PHE 59 Cb 0.18 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1vas h PHE 59 CO -0.00 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.47 1vas n PHE 60 N -4.65 0.18 0.45 0.41 3.01 0.10 -4.23 117.46 112.72 1vas n PHE 60 Ca 0.22 -0.09 0.09 0.00 1.01 0.00 0.00 57.45 58.68 1vas n PHE 60 Cb 0.63 0.00 0.40 0.00 -0.01 0.00 0.00 39.48 40.50 1vas n PHE 60 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vas n TYR 61 N -0.10 0.41 -1.27 1.38 4.02 0.19 -2.23 117.16 119.55 1vas n TYR 61 Ca 0.08 0.16 0.08 0.00 -0.01 0.00 0.00 57.90 58.21 1vas n TYR 61 Cb 0.14 -0.76 0.13 0.00 -0.02 0.00 0.00 39.34 38.84 1vas n TYR 61 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1vas n ASP 62 N -1.87 1.96 -1.44 7.72 5.75 -1.25 -4.62 116.55 122.81 1vas n ASP 62 Ca 0.03 -3.03 -0.01 0.00 -0.01 0.00 0.00 54.79 51.76 1vas n ASP 62 Cb 0.20 -0.41 0.10 0.00 -1.03 0.00 0.00 41.12 39.98 1vas n ASP 62 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1vas n LYS 63 N -1.19 1.59 0.31 0.11 5.02 -0.95 -1.91 118.16 121.15 1vas n LYS 63 Ca 0.14 -3.16 0.19 0.00 -2.02 0.00 0.00 58.31 53.46 1vas n LYS 63 Cb 0.66 -1.32 1.04 0.00 -0.02 0.00 0.00 35.03 35.40 1vas n LYS 63 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1vas h LEU 64 N 1.46 0.00 0.24 -0.35 3.38 -1.42 -2.52 115.31 116.11 1vas h LEU 64 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1vas h LEU 64 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1vas h LEU 64 CO 0.21 0.00 -0.12 -0.33 0.09 0.00 0.00 178.44 178.29 1vas h GLU 65 N 0.00 -0.31 -0.97 1.13 4.39 -1.41 -0.42 114.58 116.98 1vas h GLU 65 Ca 0.01 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.91 1vas h GLU 65 Cb 0.06 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 28.60 1vas h GLU 65 CO -0.00 0.04 -0.27 0.35 -1.16 0.00 0.00 179.01 177.97 1vas h PHE 66 N -0.91 -0.63 0.15 4.33 3.57 -1.46 0.54 116.94 122.53 1vas h PHE 66 Ca -0.03 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1vas h PHE 66 Cb 0.50 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1vas h PHE 66 CO 0.06 -0.42 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.58 1vas h LEU 67 N -0.00 -0.17 -0.57 0.59 3.38 -1.58 0.30 115.31 117.26 1vas h LEU 67 Ca 0.44 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1vas h LEU 67 Cb 0.69 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1vas h LEU 67 CO -1.00 0.17 -0.10 -0.09 0.09 0.00 0.00 178.44 177.51 1vas h ARG 68 N -0.52 0.03 -0.61 1.13 2.43 0.10 1.42 114.38 118.37 1vas h ARG 68 Ca -0.02 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1vas h ARG 68 Cb 0.40 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1vas h ARG 68 CO 0.03 0.02 0.19 0.87 -1.51 0.00 0.00 179.97 179.58 1vas h LYS 69 N 0.03 0.96 -0.43 0.20 1.57 -0.02 -1.85 116.57 117.03 1vas h LYS 69 Ca 0.28 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1vas h LYS 69 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1vas h LYS 69 CO -0.56 0.85 0.27 -0.09 -0.57 0.00 0.00 179.45 179.35 1vas h ARG 70 N 0.88 0.57 -0.72 3.15 2.43 0.40 -0.72 114.38 120.37 1vas h ARG 70 Ca 0.20 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1vas h ARG 70 Cb 0.29 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1vas h ARG 70 CO -0.01 0.39 0.48 0.37 -1.51 0.00 0.00 179.97 179.69 1vas h GLN 71 N 0.58 0.94 -0.50 0.20 4.15 0.25 0.12 115.11 120.85 1vas h GLN 71 Ca 0.16 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1vas h GLN 71 Cb -0.05 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.39 1vas h GLN 71 CO -0.03 0.62 0.29 0.82 -1.93 0.00 0.00 178.83 178.60 1vas h ILE 72 N 0.97 1.02 -0.04 2.39 2.04 -0.88 -0.23 117.51 122.78 1vas h ILE 72 Ca 0.27 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1vas h ILE 72 Cb -0.10 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1vas h ILE 72 CO -0.06 0.10 0.02 -0.33 0.00 0.00 0.00 178.15 177.88 1vas h GLU 73 N 0.57 0.05 -0.44 2.37 5.08 -0.89 -2.54 114.58 118.78 1vas h GLU 73 Ca 0.21 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1vas h GLU 73 Cb 0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1vas h GLU 73 CO -0.11 0.09 0.15 -0.07 -1.00 0.00 0.00 179.01 178.07 1vas h LEU 74 N -0.00 0.15 -0.83 1.33 3.38 -0.22 -2.10 115.31 117.03 1vas h LEU 74 Ca 0.01 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1vas h LEU 74 Cb 0.05 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1vas h LEU 74 CO -0.00 0.12 0.51 0.40 0.09 0.00 0.00 178.44 179.56 1vas h ILE 75 N 0.32 1.03 0.57 1.22 2.04 -0.96 -1.92 117.51 119.80 1vas h ILE 75 Ca 0.21 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1vas h ILE 75 Cb 0.20 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1vas h ILE 75 CO -0.21 0.17 -0.40 0.00 0.00 0.00 0.00 178.15 177.70 1vas h ALA 76 N 1.40 -0.98 -0.62 1.87 0.00 -0.95 -2.34 119.26 117.63 1vas h ALA 76 Ca 0.37 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1vas h ALA 76 Cb 0.18 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1vas h ALA 76 CO -0.18 -1.07 0.19 1.49 0.00 0.00 0.00 179.25 179.68 1vas h GLU 77 N -0.94 0.33 -0.45 0.00 4.57 -1.17 -0.48 114.58 116.44 1vas h GLU 77 Ca -0.07 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1vas h GLU 77 Cb 0.78 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 1vas h GLU 77 CO 0.03 0.22 0.08 0.00 -1.18 0.00 0.00 179.01 178.17 1vas h LEU 79 N 0.22 0.79 -0.51 0.00 3.38 -0.76 -2.00 115.31 116.43 1vas h LEU 79 Ca 0.22 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1vas h LEU 79 Cb 0.29 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1vas h LEU 79 CO -0.30 0.69 -0.08 0.11 0.09 0.00 0.00 178.44 178.95 1vas h LYS 80 N 0.83 0.04 0.00 1.13 1.57 -0.12 0.40 116.57 120.43 1vas h LYS 80 Ca 0.21 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1vas h LYS 80 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1vas h LYS 80 CO -0.03 0.03 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1vas n ARG 81 N -5.31 0.61 -2.75 3.15 1.74 -0.81 -4.91 116.66 108.37 1vas n ARG 81 Ca 0.05 0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 57.04 1vas n ARG 81 Cb 0.28 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1vas n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vas n GLY 82 N 0.67 0.11 3.63 -0.13 0.00 0.14 -5.00 105.19 104.61 1vas n GLY 82 Ca 0.16 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1vas n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vas s PHE 83 N -2.94 3.27 -1.11 1.61 0.08 -0.80 -4.94 117.98 113.15 1vas s PHE 83 Ca 0.19 0.98 -0.26 0.00 0.12 0.00 0.00 56.93 57.96 1vas s PHE 83 Cb -0.08 -3.06 -0.21 0.00 -0.57 0.00 0.00 43.02 39.10 1vas s PHE 83 CO 0.24 -0.43 2.08 -0.80 -0.10 0.00 0.00 175.22 176.21 1vas s ASN 84 N 1.45 3.65 -0.03 1.36 0.01 -1.26 -4.66 114.94 115.45 1vas s ASN 84 Ca 0.32 -1.11 -0.16 0.00 -0.71 0.00 0.00 52.86 51.21 1vas s ASN 84 Cb -0.15 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 1vas s ASN 84 CO 0.09 -4.55 0.43 0.27 -1.51 0.00 0.00 177.10 171.83 1vas s ILE 85 N 16.23 5.06 -0.17 0.60 -4.36 -1.26 -5.00 121.20 132.31 1vas s ILE 85 Ca 0.79 0.88 0.16 0.00 -0.26 0.00 0.00 60.65 62.22 1vas s ILE 85 Cb -0.04 -3.74 0.01 0.00 1.25 0.00 0.00 42.46 39.94 1vas s ILE 85 CO 0.18 0.51 1.24 0.11 0.24 0.00 0.00 174.94 177.22 1vas h LYS 86 N 5.28 0.00 -3.50 0.37 1.79 -2.05 -3.41 116.57 115.05 1vas h LYS 86 Ca -0.48 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.23 1vas h LYS 86 Cb 1.21 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.54 1vas h LYS 86 CO 0.66 0.38 0.14 -0.51 -1.08 0.00 0.00 179.45 179.04 1vas s ASP 87 N -6.18 6.60 0.00 0.86 1.01 -1.26 -4.81 116.67 112.89 1vas s ASP 87 Ca 0.02 -3.50 0.14 0.00 0.71 0.00 0.00 52.55 49.92 1vas s ASP 87 Cb 0.08 -2.07 0.41 0.00 1.01 0.00 0.00 42.92 42.35 1vas s ASP 87 CO 0.76 -0.28 1.34 0.35 0.21 0.00 0.00 175.17 177.55 1vas n THR 88 N 2.75 0.54 -4.55 -1.27 -2.24 -1.26 -4.85 114.28 103.40 1vas n THR 88 Ca 0.21 -0.56 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1vas n THR 88 Cb 0.39 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.80 1vas n THR 88 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vas s THR 89 N -1.46 3.61 0.02 4.28 -4.23 -1.26 -5.06 115.64 111.54 1vas s THR 89 Ca 0.29 -0.47 -0.30 0.00 -1.18 0.00 0.00 61.69 60.03 1vas s THR 89 Cb 0.15 -2.55 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 1vas s THR 89 CO 0.20 0.52 1.39 -0.69 -0.54 0.00 0.00 174.62 175.50 1vas s VAL 90 N 0.20 3.68 0.59 2.29 1.01 -1.26 -4.97 120.40 121.93 1vas s VAL 90 Ca -0.04 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 1vas s VAL 90 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1vas s VAL 90 CO 0.04 0.01 1.21 0.00 0.00 0.00 0.00 175.10 176.36 1vas s GLN 91 N 2.17 3.00 -0.49 2.72 -2.07 -1.26 -4.98 119.66 118.74 1vas s GLN 91 Ca 0.64 1.82 -0.24 0.00 -1.82 0.00 0.00 55.36 55.76 1vas s GLN 91 Cb -0.32 -1.94 0.03 0.00 -1.09 0.00 0.00 33.01 29.69 1vas s GLN 91 CO 0.27 -1.19 0.86 0.34 -1.32 0.00 0.00 175.29 174.26 1vas s ASP 92 N -1.59 6.40 -0.33 12.60 2.15 -1.26 -4.92 116.67 129.72 1vas s ASP 92 Ca 0.77 -0.16 0.08 0.00 0.43 0.00 0.00 52.55 53.67 1vas s ASP 92 Cb -0.30 -2.41 0.60 0.00 -0.30 0.00 0.00 42.92 40.50 1vas s ASP 92 CO 0.33 -1.05 1.65 2.30 -0.17 0.00 0.00 175.17 178.23 1vas n ILE 93 N 6.21 2.78 0.30 4.11 -5.35 -1.26 -4.51 119.36 121.64 1vas n ILE 93 Ca 0.03 -2.24 0.17 0.00 -0.27 0.00 0.00 62.75 60.44 1vas n ILE 93 Cb 0.48 -0.36 0.71 0.00 -1.74 0.00 0.00 39.64 38.73 1vas n ILE 93 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1vas h SER 94 N 1.35 0.00 -0.00 7.28 4.64 -2.03 -2.88 113.55 121.92 1vas h SER 94 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1vas h SER 94 Cb 2.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 1vas h SER 94 CO 0.64 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1vas n ASP 95 N -2.93 0.04 -4.76 4.97 5.75 -1.26 -4.85 116.55 113.50 1vas n ASP 95 Ca 0.00 -1.04 -0.36 0.00 -0.01 0.00 0.00 54.79 53.39 1vas n ASP 95 Cb 0.26 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 1vas n ASP 95 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1vas s ILE 96 N -2.00 4.91 0.19 2.12 1.01 -1.09 -5.05 121.20 121.29 1vas s ILE 96 Ca 0.47 -0.02 -0.33 0.00 0.00 0.00 0.00 60.65 60.78 1vas s ILE 96 Cb 0.21 -3.12 -0.15 0.00 0.01 0.00 0.00 42.46 39.41 1vas s ILE 96 CO 0.36 0.59 1.27 -2.65 0.00 0.00 0.00 174.94 174.51 1vas n PRO 97 N 2.30 1.49 0.05 2.79 -0.02 -1.26 -4.81 135.00 135.53 1vas n PRO 97 Ca -0.19 0.53 0.21 0.00 -2.02 0.00 0.00 63.50 62.04 1vas n PRO 97 Cb 0.54 -2.10 0.73 0.00 -0.02 0.00 0.00 33.50 32.65 1vas n PRO 97 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1vas h GLN 98 N 3.82 0.00 -0.01 -0.52 -0.00 -1.94 -1.11 115.11 115.35 1vas h GLN 98 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1vas h GLN 98 Cb 1.32 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.80 1vas h GLN 98 CO 0.73 0.00 0.19 1.05 -0.00 0.00 0.00 178.83 180.80 1vas h GLU 99 N 0.00 0.00 0.00 0.06 4.11 -1.99 0.13 114.58 116.88 1vas h GLU 99 Ca 0.23 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.55 1vas h GLU 99 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1vas h GLU 99 CO -0.00 0.00 -1.54 1.19 0.07 0.00 0.00 179.01 178.73 1vas n PHE 100 N -3.03 0.67 -2.83 2.06 3.72 -0.42 -4.67 117.46 112.96 1vas n PHE 100 Ca -0.02 0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 57.16 1vas n PHE 100 Cb 0.25 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1vas n PHE 100 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1vas n ARG 101 N -2.69 3.84 -4.01 -1.08 1.74 0.44 -2.40 116.66 112.50 1vas n ARG 101 Ca -0.09 -4.07 -0.23 0.00 -0.77 0.00 0.00 57.85 52.70 1vas n ARG 101 Cb 0.75 -2.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.38 1vas n ARG 101 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1vas s GLY 102 N 0.46 1.97 0.63 -0.13 0.00 -0.80 -4.59 107.32 104.87 1vas s GLY 102 Ca 0.36 -1.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.24 1vas s GLY 102 CO 0.02 -1.74 0.87 1.34 0.00 0.00 0.00 173.10 173.60 1vas n ASP 103 N -1.23 1.06 -3.64 1.64 -0.08 -1.26 -1.22 116.55 111.81 1vas n ASP 103 Ca -0.02 -1.92 -0.05 0.00 -1.51 0.00 0.00 54.79 51.29 1vas n ASP 103 Cb 0.61 -0.57 -0.06 0.00 2.34 0.00 0.00 41.12 43.44 1vas n ASP 103 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1vas s TYR 104 N -2.65 -1.16 -0.64 -0.67 5.04 -1.26 -4.73 117.35 111.27 1vas s TYR 104 Ca 0.57 2.21 -0.09 0.00 -2.44 0.00 0.00 57.07 57.31 1vas s TYR 104 Cb -0.03 0.70 0.17 0.00 0.35 0.00 0.00 41.96 43.14 1vas s TYR 104 CO 0.38 -0.58 0.52 0.42 -1.34 0.00 0.00 175.55 174.95 1vas s ILE 105 N 2.07 4.61 0.35 3.14 -1.09 -1.26 -4.88 121.20 124.13 1vas s ILE 105 Ca -0.09 -2.33 -0.27 0.00 -2.23 0.00 0.00 60.65 55.74 1vas s ILE 105 Cb -0.07 -3.95 -0.12 0.00 -1.58 0.00 0.00 42.46 36.74 1vas s ILE 105 CO -0.20 -0.90 1.20 -0.81 -1.23 0.00 0.00 174.94 173.00 1vas n PRO 106 N 4.22 1.86 -3.04 2.79 -0.04 -1.26 -4.96 135.00 134.56 1vas n PRO 106 Ca 0.03 0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 63.80 1vas n PRO 106 Cb 0.42 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 1vas n PRO 106 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1vas s HIS 107 N -1.12 3.52 0.44 0.54 2.46 -1.26 -4.94 115.29 114.92 1vas s HIS 107 Ca 0.58 1.40 0.25 0.00 0.47 0.00 0.00 55.06 57.76 1vas s HIS 107 Cb -0.59 -2.65 1.28 0.00 -0.13 0.00 0.00 32.58 30.49 1vas s HIS 107 CO 0.61 0.19 1.73 0.93 -2.47 0.00 0.00 174.74 175.73 1vas h GLU 108 N 2.83 0.23 -0.11 2.88 4.39 -2.01 0.59 114.58 123.38 1vas h GLU 108 Ca -0.48 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.02 1vas h GLU 108 Cb 1.19 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1vas h GLU 108 CO 0.65 0.15 -0.72 0.00 -1.16 0.00 0.00 179.01 177.93 1vas h ALA 109 N 1.57 0.53 -0.39 3.43 0.00 -2.00 -2.76 119.26 119.63 1vas h ALA 109 Ca 0.66 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1vas h ALA 109 Cb 1.96 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1vas h ALA 109 CO -0.28 0.73 0.06 0.77 0.00 0.00 0.00 179.25 180.53 1vas h SER 110 N 0.37 0.63 -0.42 0.00 0.02 -1.28 -2.74 113.55 110.14 1vas h SER 110 Ca -0.03 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1vas h SER 110 Cb 1.31 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1vas h SER 110 CO 0.13 0.74 0.20 0.40 -1.14 0.00 0.00 176.83 177.16 1vas h ILE 111 N 0.50 0.97 -1.00 3.27 2.04 -1.45 -1.46 117.51 120.38 1vas h ILE 111 Ca 0.12 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1vas h ILE 111 Cb 0.38 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1vas h ILE 111 CO 0.01 0.08 0.64 0.00 0.00 0.00 0.00 178.15 178.88 1vas h ALA 112 N 1.23 1.45 -0.60 1.87 0.00 -1.46 0.41 119.26 122.14 1vas h ALA 112 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1vas h ALA 112 Cb 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1vas h ALA 112 CO -0.13 0.38 0.29 0.82 0.00 0.00 0.00 179.25 180.61 1vas h ILE 113 N 1.12 1.21 -0.69 0.00 5.03 -0.99 -1.32 117.51 121.87 1vas h ILE 113 Ca 0.45 -0.60 0.02 0.00 -0.12 0.00 0.00 64.86 64.61 1vas h ILE 113 Cb 0.26 0.49 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 1vas h ILE 113 CO -0.20 0.24 0.44 -1.28 -0.68 0.00 0.00 178.15 176.68 1vas h SER 114 N 0.83 0.75 0.79 1.72 0.87 -0.08 -2.87 113.55 115.55 1vas h SER 114 Ca 0.21 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1vas h SER 114 Cb 0.12 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1vas h SER 114 CO -0.03 0.53 -0.48 -0.61 -0.53 0.00 0.00 176.83 175.71 1vas h GLN 115 N 0.89 -1.15 -0.80 2.24 5.75 -0.62 -2.93 115.11 118.49 1vas h GLN 115 Ca 0.27 0.08 0.21 0.00 -0.15 0.00 0.00 58.65 59.05 1vas h GLN 115 Cb -0.04 0.26 -0.15 0.00 1.07 0.00 0.00 27.48 28.62 1vas h GLN 115 CO -0.08 -0.76 -0.04 0.00 -2.65 0.00 0.00 178.83 175.29 1vas n ALA 116 N -2.71 0.35 0.08 3.38 0.00 -0.53 0.55 120.51 121.63 1vas n ALA 116 Ca -0.15 0.87 -0.13 0.00 0.00 0.00 0.00 53.44 54.03 1vas n ALA 116 Cb 0.50 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 1vas n ALA 116 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1vas h ARG 117 N 0.00 -0.15 -0.20 0.00 9.65 -1.44 -1.83 114.38 120.41 1vas h ARG 117 Ca 0.46 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.39 1vas h ARG 117 Cb 0.89 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 1vas h ARG 117 CO -0.77 0.04 -0.02 -0.07 2.80 0.00 0.00 179.97 181.95 1vas h LEU 118 N -0.31 -0.12 -0.25 3.80 -0.00 0.29 -1.62 115.31 117.11 1vas h LEU 118 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1vas h LEU 118 Cb 0.25 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1vas h LEU 118 CO 0.03 -0.03 0.00 0.47 -0.00 0.00 0.00 178.44 178.90 1vas n ASP 119 N -5.16 0.14 -0.00 -0.43 8.00 0.58 -1.60 116.55 118.07 1vas n ASP 119 Ca -0.02 0.55 0.05 0.00 0.71 0.00 0.00 54.79 56.08 1vas n ASP 119 Cb 0.12 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 1vas n ASP 119 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1vas n GLU 120 N -1.67 3.09 0.03 -1.24 0.28 -0.71 -3.91 120.64 116.51 1vas n GLU 120 Ca 0.01 -0.01 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1vas n GLU 120 Cb 0.08 -1.04 -0.08 0.00 1.43 0.00 0.00 31.44 31.83 1vas n GLU 120 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1vas h LYS 121 N 0.00 0.00 0.04 3.44 1.57 -0.37 -3.27 116.57 117.99 1vas h LYS 121 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vas h LYS 121 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1vas h LYS 121 CO 0.00 0.34 -0.02 0.82 -0.57 0.00 0.00 179.45 180.02 1vas h ILE 122 N 0.00 1.37 -0.44 1.86 2.04 -1.51 -3.25 117.51 117.58 1vas h ILE 122 Ca -0.16 -1.60 0.13 0.00 1.00 0.00 0.00 64.86 64.22 1vas h ILE 122 Cb 1.63 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 40.07 1vas h ILE 122 CO 0.05 0.39 0.59 0.00 0.00 0.00 0.00 178.15 179.19 1vas h ALA 123 N 0.06 2.14 0.00 1.87 0.00 -1.69 0.33 119.26 121.96 1vas h ALA 123 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vas h ALA 123 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1vas h ALA 123 CO 0.01 -0.82 0.00 1.96 0.00 0.00 0.00 179.25 180.40 1vas h GLN 124 N 0.00 0.00 0.00 0.00 4.20 -1.60 -3.35 115.11 114.36 1vas h GLN 124 Ca 0.21 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 1vas h GLN 124 Cb 1.39 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.04 1vas h GLN 124 CO -0.00 0.00 -0.39 2.89 -0.67 0.00 0.00 178.83 180.66 1vas n ARG 125 N -2.98 0.64 -0.26 1.46 1.85 0.10 -5.06 116.66 112.41 1vas n ARG 125 Ca -0.00 -1.50 -0.07 0.00 -1.00 0.00 0.00 57.85 55.28 1vas n ARG 125 Cb 0.24 -1.18 0.06 0.00 -1.05 0.00 0.00 32.46 30.52 1vas n ARG 125 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1vas h PRO 126 N 3.78 1.16 0.00 2.89 0.13 -1.39 -2.79 132.00 135.77 1vas h PRO 126 Ca -0.17 -0.26 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1vas h PRO 126 Cb 1.07 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1vas h PRO 126 CO 0.21 1.00 -0.31 1.79 -0.23 0.00 0.00 178.00 180.45 1vas h THR 127 N 1.10 1.08 -0.01 1.56 1.35 -1.88 -3.14 112.91 112.97 1vas h THR 127 Ca 0.23 -1.13 -0.17 0.00 -0.55 0.00 0.00 66.41 64.79 1vas h THR 127 Cb 0.34 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1vas h THR 127 CO -0.00 0.31 -0.77 -0.25 -0.25 0.00 0.00 175.52 174.55 1vas h TRP 128 N 0.00 0.20 -3.15 4.73 7.01 -1.79 -3.45 115.95 119.49 1vas h TRP 128 Ca -0.00 -0.10 -0.55 0.00 2.11 0.00 0.00 58.89 60.35 1vas h TRP 128 Cb 0.61 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1vas h TRP 128 CO 0.00 0.85 0.63 0.71 -2.79 0.00 0.00 178.44 177.84 1vas s TYR 129 N -3.36 3.31 0.18 2.65 2.02 -1.17 -5.00 117.35 115.98 1vas s TYR 129 Ca -0.02 1.30 0.09 0.00 -0.37 0.00 0.00 57.07 58.06 1vas s TYR 129 Cb 0.11 -3.38 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 1vas s TYR 129 CO 0.81 -1.13 -0.07 0.15 -1.57 0.00 0.00 175.55 173.73 1vas s LYS 130 N 1.81 2.14 -0.12 -0.62 1.02 -1.26 -4.22 119.74 118.48 1vas s LYS 130 Ca 0.56 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 55.31 1vas s LYS 130 Cb -0.25 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1vas s LYS 130 CO 0.24 0.44 -0.13 -0.47 -0.92 0.00 0.00 175.35 174.50 1vas s TYR 131 N -1.73 1.95 -1.55 3.18 5.04 0.08 -0.30 117.35 124.01 1vas s TYR 131 Ca 0.26 -1.00 -0.09 0.00 -2.44 0.00 0.00 57.07 53.80 1vas s TYR 131 Cb -0.09 -1.45 0.07 0.00 0.35 0.00 0.00 41.96 40.85 1vas s TYR 131 CO 0.16 -0.56 0.58 0.66 -1.34 0.00 0.00 175.55 175.05 1vas n TYR 132 N 4.56 -1.70 0.00 4.97 4.02 -1.26 -0.98 117.16 126.77 1vas n TYR 132 Ca -0.17 0.77 0.00 0.00 -0.01 0.00 0.00 57.90 58.49 1vas n TYR 132 Cb 0.51 -3.35 0.00 0.00 -0.02 0.00 0.00 39.34 36.47 1vas n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vas n GLY 133 N -1.75 2.90 3.54 2.72 0.00 -1.26 -5.02 105.19 106.32 1vas n GLY 133 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1vas n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vas s LYS 134 N -0.26 2.84 -1.08 1.61 0.00 -0.15 -4.94 119.74 117.75 1vas s LYS 134 Ca 0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 55.97 55.19 1vas s LYS 134 Cb 0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 37.83 35.16 1vas s LYS 134 CO 0.00 0.59 1.95 0.00 0.00 0.00 0.00 175.35 177.88 1vas n ALA 135 N 2.45 3.24 0.31 0.59 0.00 -1.26 -0.74 120.51 125.09 1vas n ALA 135 Ca -0.18 -3.39 0.14 0.00 0.00 0.00 0.00 53.44 50.01 1vas n ALA 135 Cb 0.53 -3.57 0.38 0.00 0.00 0.00 0.00 19.45 16.79 1vas n ALA 135 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1vas h ILE 136 N 5.08 0.00 -3.31 0.00 3.07 -1.89 -3.42 117.51 117.04 1vas h ILE 136 Ca 0.39 -0.72 -0.58 0.00 1.55 0.00 0.00 64.86 65.50 1vas h ILE 136 Cb 0.78 1.70 -0.08 0.00 -0.27 0.00 0.00 36.82 38.95 1vas h ILE 136 CO 1.65 0.00 -0.14 -0.31 -1.05 0.00 0.00 178.15 178.30 1vas s TYR 137 N -3.34 3.53 0.00 0.16 2.02 -1.26 -5.12 117.35 113.33 1vas s TYR 137 Ca 0.05 0.90 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1vas s TYR 137 Cb 0.07 -2.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1vas s TYR 137 CO 0.60 0.20 0.00 0.00 -1.57 0.00 0.00 175.55 174.78