#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 h VAL 2 N 0.00 0.70 -0.02 -1.45 -1.51 -2.00 -3.22 116.25 108.76 1m90 h VAL 2 Ca 0.00 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1m90 h VAL 2 Cb 0.00 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1m90 h VAL 2 CO 0.00 0.40 -0.32 0.00 -1.23 0.00 0.00 177.57 176.42 1m90 n TYR 3 N -3.12 0.00 -3.45 5.19 0.18 -1.26 -4.84 117.16 109.85 1m90 n TYR 3 Ca -0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 1m90 n TYR 3 Cb 0.74 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.59 1m90 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1m90 s VAL 4 N -2.35 5.22 -1.36 -3.48 1.01 -1.22 -4.87 120.40 113.35 1m90 s VAL 4 Ca 0.22 -0.13 0.14 0.00 0.00 0.00 0.00 61.98 62.21 1m90 s VAL 4 Cb 0.19 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1m90 s VAL 4 CO 0.49 -0.09 0.81 0.47 0.00 0.00 0.00 175.10 176.78 1m90 n ASP 5 N 5.27 1.59 -3.77 3.32 8.00 -1.26 -4.72 116.55 124.97 1m90 n ASP 5 Ca -0.11 -1.29 -0.13 0.00 0.71 0.00 0.00 54.79 53.97 1m90 n ASP 5 Cb 0.49 0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.91 1m90 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1m90 s PHE 6 N -1.65 -0.13 -0.19 1.24 -0.12 -1.26 -5.14 117.98 110.74 1m90 s PHE 6 Ca 0.12 0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 57.05 1m90 s PHE 6 Cb 0.11 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.54 1m90 s PHE 6 CO 0.33 -0.42 0.10 0.34 -0.05 0.00 0.00 175.22 175.52 1m90 s ASP 7 N -1.59 5.94 -0.32 1.98 2.15 -1.26 -4.99 116.67 118.58 1m90 s ASP 7 Ca -0.11 0.17 -0.16 0.00 0.43 0.00 0.00 52.55 52.88 1m90 s ASP 7 Cb -0.04 -2.02 -0.02 0.00 -0.30 0.00 0.00 42.92 40.54 1m90 s ASP 7 CO 0.01 0.19 0.43 -0.69 -0.17 0.00 0.00 175.17 174.94 1m90 s VAL 8 N 0.30 5.11 0.28 1.11 1.01 -1.26 -5.05 120.40 121.90 1m90 s VAL 8 Ca 0.06 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1m90 s VAL 8 Cb -0.12 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 1m90 s VAL 8 CO -0.01 -0.04 1.50 -2.65 0.00 0.00 0.00 175.10 173.90 1m90 n PRO 9 N 5.50 2.39 -0.32 2.72 -0.02 -1.26 -4.76 135.00 139.25 1m90 n PRO 9 Ca -0.07 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 1m90 n PRO 9 Cb 0.50 -2.57 0.22 0.00 -0.02 0.00 0.00 33.50 31.63 1m90 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m90 n ALA 10 N 1.86 0.39 -0.28 3.55 0.00 -1.26 -0.11 120.51 124.66 1m90 n ALA 10 Ca 0.09 0.99 -0.05 0.00 0.00 0.00 0.00 53.44 54.47 1m90 n ALA 10 Cb 0.35 -0.68 0.06 0.00 0.00 0.00 0.00 19.45 19.18 1m90 n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1m90 h ASP 11 N 0.00 0.96 -0.62 0.00 3.32 -2.00 -2.09 116.42 115.99 1m90 h ASP 11 Ca 0.52 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 1m90 h ASP 11 Cb 0.99 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1m90 h ASP 11 CO -0.88 0.77 0.26 0.25 -1.72 0.00 0.00 179.24 177.92 1m90 h LEU 12 N 1.07 0.85 -1.00 1.55 6.46 -0.86 -2.27 115.31 121.11 1m90 h LEU 12 Ca 0.27 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1m90 h LEU 12 Cb 0.02 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 39.67 1m90 h LEU 12 CO -0.05 0.78 0.66 -0.08 -0.62 0.00 0.00 178.44 179.13 1m90 h GLU 13 N 0.86 1.24 -0.14 1.25 4.81 -1.08 -1.29 114.58 120.23 1m90 h GLU 13 Ca 0.21 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1m90 h GLU 13 Cb 0.19 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1m90 h GLU 13 CO -0.02 0.82 0.07 -0.44 -0.73 0.00 0.00 179.01 178.71 1m90 h ASP 14 N 1.28 0.19 -0.57 1.04 3.32 -0.86 0.32 116.42 121.13 1m90 h ASP 14 Ca 0.40 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.36 1m90 h ASP 14 Cb -0.01 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1m90 h ASP 14 CO -0.12 0.26 0.32 0.44 -1.72 0.00 0.00 179.24 178.42 1m90 h ASP 15 N 0.10 0.49 0.18 6.45 3.32 -1.01 0.92 116.42 126.87 1m90 h ASP 15 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1m90 h ASP 15 Cb 0.13 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1m90 h ASP 15 CO -0.01 0.34 -0.16 0.00 -1.72 0.00 0.00 179.24 177.69 1m90 h ALA 16 N 1.28 -0.33 -0.42 3.45 0.00 -0.93 0.91 119.26 123.22 1m90 h ALA 16 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1m90 h ALA 16 Cb 0.10 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1m90 h ALA 16 CO -0.14 -0.71 0.27 -0.07 0.00 0.00 0.00 179.25 178.61 1m90 h LEU 17 N -0.36 0.48 -0.32 0.00 3.38 -0.62 -0.33 115.31 117.54 1m90 h LEU 17 Ca -0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1m90 h LEU 17 Cb 0.33 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1m90 h LEU 17 CO -0.03 0.35 -0.14 -0.33 0.09 0.00 0.00 178.44 178.39 1m90 h GLU 18 N 0.56 -0.08 -0.68 1.13 5.08 -0.54 -0.13 114.58 119.93 1m90 h GLU 18 Ca 0.15 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1m90 h GLU 18 Cb -0.06 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1m90 h GLU 18 CO -0.03 -0.05 0.31 0.00 -1.00 0.00 0.00 179.01 178.24 1m90 h ALA 19 N 1.19 0.92 -0.81 3.43 0.00 -0.27 -1.83 119.26 121.89 1m90 h ALA 19 Ca 0.16 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1m90 h ALA 19 Cb 0.33 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1m90 h ALA 19 CO -0.37 -0.10 0.51 1.25 0.00 0.00 0.00 179.25 180.54 1m90 h LEU 20 N 0.54 0.83 -0.53 0.00 5.85 0.66 -0.05 115.31 122.60 1m90 h LEU 20 Ca 0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1m90 h LEU 20 Cb 0.38 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1m90 h LEU 20 CO -0.28 0.56 0.25 -0.33 -0.34 0.00 0.00 178.44 178.30 1m90 h GLU 21 N 0.97 0.77 0.00 1.25 5.08 -0.36 -1.14 114.58 121.15 1m90 h GLU 21 Ca 0.33 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1m90 h GLU 21 Cb 0.06 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1m90 h GLU 21 CO -0.13 0.64 0.00 -0.39 -1.00 0.00 0.00 179.01 178.13 1m90 h VAL 22 N 0.71 0.00 -0.26 3.13 -1.51 -1.06 -2.81 116.25 114.46 1m90 h VAL 22 Ca 0.18 -0.61 -0.19 0.00 -1.23 0.00 0.00 66.70 64.86 1m90 h VAL 22 Cb 0.13 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1m90 h VAL 22 CO -0.02 0.00 -0.59 0.00 -1.23 0.00 0.00 177.57 175.73 1m90 h ALA 23 N 2.01 0.47 -0.03 5.19 0.00 0.16 0.10 119.26 127.16 1m90 h ALA 23 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1m90 h ALA 23 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1m90 h ALA 23 CO 0.00 0.68 -0.47 0.07 0.00 0.00 0.00 179.25 179.54 1m90 h ARG 24 N 0.62 0.08 0.05 0.00 0.11 -1.05 0.21 114.38 114.40 1m90 h ARG 24 Ca 0.00 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 59.86 1m90 h ARG 24 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1m90 h ARG 24 CO 0.13 0.53 -0.93 -0.44 0.10 0.00 0.00 179.97 179.36 1m90 h ASP 25 N 0.06 0.18 0.15 0.08 3.32 -1.46 -3.41 116.42 115.35 1m90 h ASP 25 Ca 0.00 -0.81 -0.36 0.00 0.02 0.00 0.00 57.03 55.89 1m90 h ASP 25 Cb 0.85 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1m90 h ASP 25 CO 0.06 1.39 -1.85 0.74 -1.72 0.00 0.00 179.24 177.86 1m90 h THR 26 N -0.69 0.79 -0.26 0.35 2.02 -0.87 -3.49 112.91 110.76 1m90 h THR 26 Ca -0.22 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.54 1m90 h THR 26 Cb 1.42 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1m90 h THR 26 CO -0.02 0.87 0.00 0.61 0.37 0.00 0.00 175.52 177.35 1m90 n GLY 27 N 1.92 4.42 3.13 2.16 0.00 0.72 -4.66 105.19 112.87 1m90 n GLY 27 Ca -0.28 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 43.84 1m90 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 s ALA 28 N -2.23 1.20 0.02 4.61 0.00 -0.32 -4.53 121.76 120.51 1m90 s ALA 28 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1m90 s ALA 28 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1m90 s ALA 28 CO 0.00 0.27 -0.05 0.14 0.00 0.00 0.00 175.76 176.12 1m90 s VAL 29 N -0.55 0.31 -0.17 0.00 -7.23 -1.26 0.19 120.40 111.69 1m90 s VAL 29 Ca 0.04 -0.77 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 1m90 s VAL 29 Cb -0.06 -0.38 -0.02 0.00 0.56 0.00 0.00 36.38 36.47 1m90 s VAL 29 CO 0.00 -0.31 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.90 1m90 s LYS 30 N -1.15 3.58 -0.15 4.82 -0.14 0.15 -4.84 119.74 122.01 1m90 s LYS 30 Ca -0.09 -0.56 -0.04 0.00 -1.36 0.00 0.00 55.97 53.92 1m90 s LYS 30 Cb -0.08 -2.92 -0.03 0.00 -1.68 0.00 0.00 37.83 33.12 1m90 s LYS 30 CO -0.00 0.13 -0.02 0.15 -0.76 0.00 0.00 175.35 174.85 1m90 s LYS 31 N 0.64 3.66 0.00 1.68 1.02 -1.26 -0.54 119.74 124.94 1m90 s LYS 31 Ca -0.03 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1m90 s LYS 31 Cb -0.14 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1m90 s LYS 31 CO 0.02 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 1m90 n GLY 32 N 3.41 2.87 0.34 -3.33 0.00 -0.63 -4.65 105.19 103.19 1m90 n GLY 32 Ca -0.17 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.49 1m90 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m90 h THR 33 N 0.00 0.88 0.37 2.61 2.02 -1.93 0.65 112.91 117.51 1m90 h THR 33 Ca 0.00 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1m90 h THR 33 Cb 0.00 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1m90 h THR 33 CO 0.00 0.16 -0.18 -1.13 0.37 0.00 0.00 175.52 174.74 1m90 h ASN 34 N 0.87 -0.42 -0.42 4.18 -1.24 -1.93 -0.06 115.58 116.55 1m90 h ASN 34 Ca 0.46 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.44 1m90 h ASN 34 Cb 0.49 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 1m90 h ASN 34 CO -0.28 -0.19 0.28 -0.33 -1.29 0.00 0.00 177.43 175.63 1m90 h GLU 35 N -0.65 0.43 -0.23 6.67 5.08 -1.72 -1.64 114.58 122.52 1m90 h GLU 35 Ca -0.05 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1m90 h GLU 35 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1m90 h GLU 35 CO 0.08 0.29 -0.13 1.15 -1.00 0.00 0.00 179.01 179.40 1m90 h THR 36 N 0.44 1.31 -0.68 1.13 2.02 -0.71 -3.07 112.91 113.35 1m90 h THR 36 Ca 0.17 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.19 1m90 h THR 36 Cb 0.14 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 1m90 h THR 36 CO -0.04 0.38 0.38 0.74 0.37 0.00 0.00 175.52 177.35 1m90 h THR 37 N 0.21 0.97 0.00 3.16 2.02 -0.07 -1.18 112.91 118.03 1m90 h THR 37 Ca 0.05 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1m90 h THR 37 Cb 0.64 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1m90 h THR 37 CO 0.04 0.13 -0.15 0.11 0.37 0.00 0.00 175.52 176.02 1m90 h LYS 38 N 0.70 0.00 0.25 6.66 1.57 -1.40 -1.66 116.57 122.69 1m90 h LYS 38 Ca 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1m90 h LYS 38 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1m90 h LYS 38 CO -0.19 0.15 -0.12 0.77 -0.57 0.00 0.00 179.45 179.49 1m90 h SER 39 N 0.00 -0.29 -0.90 0.86 0.02 -1.13 0.31 113.55 112.42 1m90 h SER 39 Ca -0.00 -0.22 0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1m90 h SER 39 Cb 0.39 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 1m90 h SER 39 CO 0.02 0.11 0.58 0.40 -1.14 0.00 0.00 176.83 176.80 1m90 h ILE 40 N -0.74 0.85 -0.05 3.27 2.04 -1.18 1.12 117.51 122.82 1m90 h ILE 40 Ca -0.03 -0.25 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 1m90 h ILE 40 Cb 0.49 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1m90 h ILE 40 CO 0.06 0.13 -0.62 -0.33 0.00 0.00 0.00 178.15 177.39 1m90 h GLU 41 N 0.74 0.52 -0.00 2.37 5.08 -1.18 -3.11 114.58 119.00 1m90 h GLU 41 Ca 0.45 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1m90 h GLU 41 Cb 0.67 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1m90 h GLU 41 CO -0.21 1.12 -0.03 0.54 -1.00 0.00 0.00 179.01 179.43 1m90 n ARG 42 N -4.16 0.77 -0.30 2.33 1.74 0.11 -4.91 116.66 112.23 1m90 n ARG 42 Ca -0.09 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1m90 n ARG 42 Cb 0.67 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1m90 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m90 n GLY 43 N 1.17 1.51 0.00 -0.13 0.00 0.38 -4.84 105.19 103.27 1m90 n GLY 43 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1m90 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m90 n SER 44 N 0.00 0.00 -4.79 1.61 3.41 -0.93 -4.74 113.62 108.17 1m90 n SER 44 Ca 0.00 -0.47 -0.39 0.00 -0.26 0.00 0.00 58.87 57.75 1m90 n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1m90 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m90 s ALA 45 N -2.00 3.55 -0.10 7.33 0.00 -1.23 -4.17 121.76 125.14 1m90 s ALA 45 Ca 0.23 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1m90 s ALA 45 Cb 0.10 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1m90 s ALA 45 CO 0.17 0.31 -0.05 0.39 0.00 0.00 0.00 175.76 176.59 1m90 n GLU 46 N 2.09 1.21 -3.67 0.00 1.02 -1.15 -4.84 120.64 115.31 1m90 n GLU 46 Ca -0.09 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 1m90 n GLU 46 Cb 0.51 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 1m90 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1m90 s LEU 47 N -5.23 -0.43 -0.08 -4.62 2.96 -1.23 -3.99 118.68 106.06 1m90 s LEU 47 Ca -0.10 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1m90 s LEU 47 Cb 0.03 1.37 -0.02 0.00 0.50 0.00 0.00 46.19 48.07 1m90 s LEU 47 CO 0.29 -0.22 -0.11 0.68 -1.32 0.00 0.00 176.35 175.68 1m90 s VAL 48 N 2.11 3.33 -0.11 1.68 -7.23 -0.50 0.16 120.40 119.84 1m90 s VAL 48 Ca -0.05 -0.60 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1m90 s VAL 48 Cb -0.10 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1m90 s VAL 48 CO -0.13 0.57 0.05 -0.36 -0.31 0.00 0.00 175.10 174.93 1m90 s PHE 49 N -0.46 3.31 -0.07 2.82 0.40 0.35 -1.35 117.98 122.99 1m90 s PHE 49 Ca 0.06 0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1m90 s PHE 49 Cb -0.12 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.57 1m90 s PHE 49 CO 0.02 0.53 -0.02 0.08 0.70 0.00 0.00 175.22 176.53 1m90 s VAL 50 N -0.83 0.51 0.73 -0.44 1.01 -0.76 -0.76 120.40 119.85 1m90 s VAL 50 Ca 0.13 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1m90 s VAL 50 Cb -0.12 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1m90 s VAL 50 CO 0.03 0.27 1.10 0.00 0.00 0.00 0.00 175.10 176.49 1m90 s ALA 51 N 1.70 2.35 -1.03 5.51 0.00 0.08 -1.42 121.76 128.96 1m90 s ALA 51 Ca 0.02 0.37 0.11 0.00 0.00 0.00 0.00 51.96 52.45 1m90 s ALA 51 Cb -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1m90 s ALA 51 CO -0.05 -1.56 0.68 0.39 0.00 0.00 0.00 175.76 175.22 1m90 n GLU 52 N -3.09 1.91 -1.39 0.00 1.02 0.44 -4.49 120.64 115.04 1m90 n GLU 52 Ca 0.09 -0.67 -0.27 0.00 -0.02 0.00 0.00 57.16 56.29 1m90 n GLU 52 Cb 0.53 -1.12 0.10 0.00 -0.02 0.00 0.00 31.44 30.93 1m90 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1m90 n ASP 53 N -0.17 5.79 -4.74 1.62 5.75 -1.20 -4.52 116.55 119.07 1m90 n ASP 53 Ca 0.05 -3.76 -0.39 0.00 -0.01 0.00 0.00 54.79 50.68 1m90 n ASP 53 Cb 0.23 -0.78 -0.05 0.00 -1.03 0.00 0.00 41.12 39.49 1m90 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1m90 s VAL 54 N -4.33 4.96 -0.15 2.12 1.01 -1.26 -4.87 120.40 117.89 1m90 s VAL 54 Ca 0.58 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 1m90 s VAL 54 Cb 0.47 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.94 1m90 s VAL 54 CO 0.02 0.34 0.28 -1.58 0.00 0.00 0.00 175.10 174.16 1m90 s GLN 55 N 0.25 0.17 0.39 2.72 -0.44 -1.26 -3.71 119.66 117.78 1m90 s GLN 55 Ca 0.34 0.70 -0.26 0.00 -2.50 0.00 0.00 55.36 53.64 1m90 s GLN 55 Cb -0.18 -0.15 -0.09 0.00 -1.64 0.00 0.00 33.01 30.95 1m90 s GLN 55 CO 0.17 -0.34 1.19 -2.14 0.50 0.00 0.00 175.29 174.67 1m90 s PRO 56 N 2.43 4.08 0.62 1.67 0.02 -1.26 -5.08 135.00 137.49 1m90 s PRO 56 Ca 0.02 1.89 0.39 0.00 0.02 0.00 0.00 61.00 63.32 1m90 s PRO 56 Cb -0.13 -2.72 2.07 0.00 0.02 0.00 0.00 34.50 33.74 1m90 s PRO 56 CO -0.10 -0.31 2.26 0.93 -0.33 0.00 0.00 177.00 179.46 1m90 h GLU 57 N 2.72 0.00 -0.81 5.54 5.08 -2.00 -2.95 114.58 122.16 1m90 h GLU 57 Ca -0.49 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1m90 h GLU 57 Cb 1.23 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1m90 h GLU 57 CO 0.63 0.01 0.33 0.93 -1.00 0.00 0.00 179.01 179.91 1m90 h GLU 58 N 0.00 0.42 -0.59 2.33 3.07 -1.98 -1.10 114.58 116.73 1m90 h GLU 58 Ca -0.00 -0.03 0.17 0.00 -0.50 0.00 0.00 59.36 59.01 1m90 h GLU 58 Cb 0.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1m90 h GLU 58 CO 0.00 0.28 0.64 0.82 -1.40 0.00 0.00 179.01 179.35 1m90 h ILE 59 N 0.43 0.29 0.00 3.13 2.04 -1.93 -3.02 117.51 118.44 1m90 h ILE 59 Ca 0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.33 1m90 h ILE 59 Cb 0.78 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1m90 h ILE 59 CO -0.45 0.00 -0.80 0.52 0.00 0.00 0.00 178.15 177.42 1m90 n VAL 60 N -3.63 0.00 -0.21 1.67 0.31 -0.59 -4.82 118.33 111.06 1m90 n VAL 60 Ca 0.12 -0.03 0.21 0.00 -0.01 0.00 0.00 64.34 64.62 1m90 n VAL 60 Cb 0.86 0.47 0.38 0.00 -0.91 0.00 0.00 33.84 34.63 1m90 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1m90 n MET 61 N -1.26 -0.04 0.13 5.55 2.81 -0.52 -0.34 117.12 123.46 1m90 n MET 61 Ca 0.00 0.88 -0.01 0.00 -1.81 0.00 0.00 57.70 56.76 1m90 n MET 61 Cb 0.00 -1.58 0.12 0.00 -0.71 0.00 0.00 33.22 31.05 1m90 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1m90 h HIS 62 N 0.00 0.00 -0.62 2.03 2.07 -1.88 -3.37 115.15 113.38 1m90 h HIS 62 Ca 0.54 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 58.12 1m90 h HIS 62 Cb 1.44 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.35 1m90 h HIS 62 CO -0.01 0.65 -0.39 0.82 -3.07 0.00 0.00 177.93 175.93 1m90 h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -1.04 -1.27 117.51 122.41 1m90 h ILE 63 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1m90 h ILE 63 Cb 1.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1m90 h ILE 63 CO 0.09 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.90 1m90 n PRO 64 N -4.51 0.00 -0.33 2.37 -0.02 -1.26 -0.29 135.00 130.96 1m90 n PRO 64 Ca 0.01 0.49 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 1m90 n PRO 64 Cb 0.18 -1.08 0.38 0.00 -0.02 0.00 0.00 33.50 32.96 1m90 n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1m90 h GLU 65 N 0.00 0.63 -0.17 -0.52 4.81 -1.82 0.10 114.58 117.62 1m90 h GLU 65 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1m90 h GLU 65 Cb 0.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1m90 h GLU 65 CO 0.00 0.41 0.08 1.25 -0.73 0.00 0.00 179.01 180.02 1m90 h LEU 66 N 0.65 0.12 -0.96 1.64 5.85 -0.90 -1.54 115.31 120.17 1m90 h LEU 66 Ca 0.57 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.32 1m90 h LEU 66 Cb 1.06 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1m90 h LEU 66 CO -0.35 0.09 0.64 0.00 -0.34 0.00 0.00 178.44 178.48 1m90 h ALA 67 N 1.08 1.23 -0.01 1.25 0.00 0.17 -2.76 119.26 120.23 1m90 h ALA 67 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1m90 h ALA 67 Cb 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1m90 h ALA 67 CO -0.05 0.59 0.00 -0.44 0.00 0.00 0.00 179.25 179.36 1m90 h ASP 68 N 1.28 0.01 0.00 0.00 3.32 -0.32 -1.69 116.42 119.02 1m90 h ASP 68 Ca 0.36 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1m90 h ASP 68 Cb -0.12 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1m90 h ASP 68 CO -0.09 0.01 0.00 -1.84 -1.72 0.00 0.00 179.24 175.61 1m90 n GLU 69 N -5.08 0.70 0.00 3.56 0.28 -0.64 -2.32 120.64 117.14 1m90 n GLU 69 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1m90 n GLU 69 Cb 0.03 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 31.64 1m90 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1m90 n LYS 70 N -0.77 2.16 0.00 3.44 4.76 -0.70 -4.99 118.16 122.06 1m90 n LYS 70 Ca 0.09 -1.27 0.00 0.00 -2.87 0.00 0.00 58.31 54.26 1m90 n LYS 70 Cb 0.04 -0.98 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1m90 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1m90 n GLY 71 N -0.39 1.45 3.74 0.72 0.00 -0.80 -4.95 105.19 104.96 1m90 n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1m90 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m90 s VAL 72 N -1.06 2.25 0.34 1.61 1.01 -1.04 -4.98 120.40 118.52 1m90 s VAL 72 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1m90 s VAL 72 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 1m90 s VAL 72 CO 0.00 0.03 0.84 -2.84 0.00 0.00 0.00 175.10 173.13 1m90 s PRO 73 N -0.26 4.23 -0.02 2.72 0.02 -1.26 -4.43 135.00 136.00 1m90 s PRO 73 Ca 0.63 0.97 -0.04 0.00 0.02 0.00 0.00 61.00 62.58 1m90 s PRO 73 Cb -0.46 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.55 1m90 s PRO 73 CO 0.45 0.17 0.09 -0.59 -0.33 0.00 0.00 177.00 176.79 1m90 s PHE 74 N -1.88 0.00 0.09 6.54 -0.12 -1.26 -1.40 117.98 119.94 1m90 s PHE 74 Ca 0.54 0.01 0.06 0.00 -0.05 0.00 0.00 56.93 57.48 1m90 s PHE 74 Cb -0.13 -0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1m90 s PHE 74 CO 0.18 -0.16 -0.17 -1.50 -0.05 0.00 0.00 175.22 173.53 1m90 s ILE 75 N -0.68 1.34 -0.03 -4.49 2.07 -0.46 -4.97 121.20 113.98 1m90 s ILE 75 Ca -0.08 -1.41 -0.08 0.00 -1.41 0.00 0.00 60.65 57.67 1m90 s ILE 75 Cb -0.05 -1.27 -0.05 0.00 0.13 0.00 0.00 42.46 41.22 1m90 s ILE 75 CO 0.00 -0.17 0.26 -0.36 -1.91 0.00 0.00 174.94 172.76 1m90 s PHE 76 N -1.28 3.61 -0.00 3.50 2.99 -1.26 -1.83 117.98 123.71 1m90 s PHE 76 Ca 0.02 0.65 0.08 0.00 0.00 0.00 0.00 56.93 57.67 1m90 s PHE 76 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 43.02 40.87 1m90 s PHE 76 CO 0.03 0.66 -0.24 0.08 -0.00 0.00 0.00 175.22 175.75 1m90 s VAL 77 N -1.17 1.88 -0.07 -0.44 1.01 -0.51 -4.84 120.40 116.26 1m90 s VAL 77 Ca 0.23 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1m90 s VAL 77 Cb -0.14 -1.57 -0.22 0.00 0.00 0.00 0.00 36.38 34.45 1m90 s VAL 77 CO 0.12 0.48 1.05 -0.33 0.00 0.00 0.00 175.10 176.42 1m90 h GLU 78 N 5.40 -0.01 -5.85 2.72 4.39 -1.94 0.13 114.58 119.42 1m90 h GLU 78 Ca -0.42 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.70 1m90 h GLU 78 Cb 1.13 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 1m90 h GLU 78 CO 0.47 0.68 -0.11 -0.65 -1.16 0.00 0.00 179.01 178.24 1m90 s GLN 79 N -3.41 4.30 0.17 2.33 -1.52 -1.26 -3.24 119.66 117.04 1m90 s GLN 79 Ca -0.17 0.52 -0.06 0.00 -1.95 0.00 0.00 55.36 53.70 1m90 s GLN 79 Cb -0.00 -3.40 0.06 0.00 -0.22 0.00 0.00 33.01 29.45 1m90 s GLN 79 CO 0.67 0.24 1.49 0.37 -0.25 0.00 0.00 175.29 177.82 1m90 h GLN 80 N 6.32 0.70 0.00 2.91 4.15 -1.87 -3.13 115.11 124.20 1m90 h GLN 80 Ca -0.43 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 58.57 1m90 h GLN 80 Cb 1.19 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1m90 h GLN 80 CO 0.73 1.03 -0.05 -0.44 -1.93 0.00 0.00 178.83 178.17 1m90 h ASP 81 N 0.55 0.00 -0.07 -0.69 3.32 -1.92 -1.78 116.42 115.83 1m90 h ASP 81 Ca 0.03 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 1m90 h ASP 81 Cb 1.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.62 1m90 h ASP 81 CO 0.10 0.05 -0.69 0.44 -1.72 0.00 0.00 179.24 177.42 1m90 h ASP 82 N 0.00 0.72 -0.36 6.45 3.32 -1.92 -1.23 116.42 123.40 1m90 h ASP 82 Ca -0.00 -0.69 -0.07 0.00 0.02 0.00 0.00 57.03 56.29 1m90 h ASP 82 Cb 0.82 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1m90 h ASP 82 CO 0.01 1.30 -0.01 0.25 -1.72 0.00 0.00 179.24 179.07 1m90 h LEU 83 N 0.20 0.71 -0.28 1.55 5.85 -1.52 0.42 115.31 122.23 1m90 h LEU 83 Ca -0.07 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1m90 h LEU 83 Cb 1.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1m90 h LEU 83 CO 0.14 0.78 -0.08 1.23 -0.34 0.00 0.00 178.44 180.17 1m90 h GLY 84 N 0.96 0.59 0.89 3.75 0.00 -1.44 0.00 103.07 107.81 1m90 h GLY 84 Ca 0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1m90 h GLY 84 CO 0.02 0.45 -0.00 0.84 0.00 0.00 0.00 176.54 177.85 1m90 h HIS 85 N 0.29 0.59 -0.35 5.60 -0.00 -0.92 0.48 115.15 120.84 1m90 h HIS 85 Ca 0.07 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1m90 h HIS 85 Cb 0.57 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1m90 h HIS 85 CO 0.05 0.67 0.19 0.00 -0.00 0.00 0.00 177.93 178.85 1m90 h ALA 86 N 0.84 1.69 0.00 5.26 0.00 -0.13 0.14 119.26 127.06 1m90 h ALA 86 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1m90 h ALA 86 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1m90 h ALA 86 CO 0.02 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1m90 n ALA 87 N -2.48 2.11 -0.16 0.00 0.00 -0.02 -3.80 120.51 116.16 1m90 n ALA 87 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1m90 n ALA 87 Cb 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1m90 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m90 n GLY 88 N 0.99 0.90 3.88 0.00 0.00 0.48 -4.94 105.19 106.49 1m90 n GLY 88 Ca 0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1m90 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m90 s LEU 89 N 0.00 4.17 0.21 0.99 1.43 0.16 -4.98 118.68 120.66 1m90 s LEU 89 Ca 0.00 0.15 0.25 0.00 -1.03 0.00 0.00 54.13 53.50 1m90 s LEU 89 Cb 0.00 -2.79 0.64 0.00 0.03 0.00 0.00 46.19 44.07 1m90 s LEU 89 CO 0.00 0.14 1.63 -0.08 0.23 0.00 0.00 176.35 178.27 1m90 h GLU 90 N 2.90 0.00 -5.89 1.70 4.81 -1.94 -3.30 114.58 112.86 1m90 h GLU 90 Ca -0.46 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.19 1m90 h GLU 90 Cb 1.17 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1m90 h GLU 90 CO 0.71 0.00 -0.38 0.08 -0.73 0.00 0.00 179.01 178.69 1m90 s VAL 91 N -3.13 1.92 0.90 0.32 1.01 -1.26 -5.00 120.40 115.16 1m90 s VAL 91 Ca 0.09 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.39 1m90 s VAL 91 Cb 0.12 -2.48 0.18 0.00 0.00 0.00 0.00 36.38 34.20 1m90 s VAL 91 CO 0.64 0.00 1.23 -0.83 0.00 0.00 0.00 175.10 176.14 1m90 s GLY 92 N -4.13 1.78 -0.18 4.51 0.00 -1.26 -4.10 107.32 103.93 1m90 s GLY 92 Ca 0.35 -1.37 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 1m90 s GLY 92 CO 0.21 -0.65 0.42 -0.45 0.00 0.00 0.00 173.10 172.63 1m90 s SER 93 N -4.85 -0.50 0.26 1.64 0.15 -0.70 -4.73 113.70 104.96 1m90 s SER 93 Ca 0.72 0.93 0.06 0.00 0.70 0.00 0.00 55.95 58.37 1m90 s SER 93 Cb -0.04 0.86 0.32 0.00 -1.71 0.00 0.00 66.02 65.45 1m90 s SER 93 CO 0.51 -0.20 1.60 0.00 1.20 0.00 0.00 173.24 176.35 1m90 h ALA 94 N 7.24 0.93 -2.31 5.45 0.00 -1.96 -3.39 119.26 125.23 1m90 h ALA 94 Ca -0.34 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 1m90 h ALA 94 Cb 1.18 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.68 1m90 h ALA 94 CO 0.27 0.71 -0.07 0.00 0.00 0.00 0.00 179.25 180.17 1m90 s ALA 95 N -3.79 -1.25 0.04 0.00 0.00 -1.26 -0.74 121.76 114.76 1m90 s ALA 95 Ca -0.03 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 1m90 s ALA 95 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1m90 s ALA 95 CO 0.78 -0.30 -0.02 0.00 0.00 0.00 0.00 175.76 176.22 1m90 s ALA 96 N -0.99 0.32 -0.09 0.00 0.00 0.06 -1.60 121.76 119.45 1m90 s ALA 96 Ca -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1m90 s ALA 96 Cb -0.03 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1m90 s ALA 96 CO 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 175.76 175.57 1m90 s ALA 97 N -2.85 0.56 -0.76 0.00 0.00 0.29 0.13 121.76 119.15 1m90 s ALA 97 Ca -0.03 -0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 1m90 s ALA 97 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1m90 s ALA 97 CO -0.06 -0.63 1.67 0.08 0.00 0.00 0.00 175.76 176.82 1m90 s VAL 98 N 2.04 3.54 -1.00 0.00 1.01 0.12 0.30 120.40 126.42 1m90 s VAL 98 Ca 0.04 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1m90 s VAL 98 Cb -0.13 -4.36 0.11 0.00 0.00 0.00 0.00 36.38 31.99 1m90 s VAL 98 CO -0.05 -1.31 1.28 0.28 0.00 0.00 0.00 175.10 175.30 1m90 s THR 99 N 7.85 4.49 -0.06 3.92 -1.32 0.13 -2.91 115.64 127.74 1m90 s THR 99 Ca 0.56 -1.46 -0.03 0.00 -1.21 0.00 0.00 61.69 59.55 1m90 s THR 99 Cb -0.09 -4.89 0.01 0.00 -1.51 0.00 0.00 72.50 66.02 1m90 s THR 99 CO 0.11 -1.67 0.07 0.47 -2.21 0.00 0.00 174.62 171.39 1m90 n ASP 100 N 7.23 -1.71 -3.19 8.08 9.92 -1.25 -3.46 116.55 132.17 1m90 n ASP 100 Ca 0.29 0.39 -0.11 0.00 -0.53 0.00 0.00 54.79 54.83 1m90 n ASP 100 Cb 0.49 -2.23 0.10 0.00 -0.64 0.00 0.00 41.12 38.84 1m90 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m90 n ALA 101 N 0.46 -1.83 -3.52 2.24 0.00 -1.26 -1.17 120.51 115.43 1m90 n ALA 101 Ca -0.11 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.79 1m90 n ALA 101 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1m90 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1m90 s GLY 102 N -1.92 -0.78 -1.06 0.00 0.00 -1.26 -4.04 107.32 98.26 1m90 s GLY 102 Ca 0.23 2.18 -0.04 0.00 0.00 0.00 0.00 44.72 47.09 1m90 s GLY 102 CO 0.19 3.12 0.20 0.00 0.00 0.00 0.00 173.10 176.61 1m90 n ALA 103 N 5.44 -0.91 -1.28 3.20 0.00 -1.26 -4.35 120.51 121.35 1m90 n ALA 103 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m90 n ALA 103 Cb 0.50 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1m90 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m90 n ALA 104 N -2.76 0.00 0.29 0.00 0.00 -1.26 -4.90 120.51 111.88 1m90 n ALA 104 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1m90 n ALA 104 Cb 0.57 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.57 1m90 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m90 h ALA 105 N 0.00 1.43 -0.03 0.00 0.00 -1.88 0.55 119.26 119.33 1m90 h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1m90 h ALA 105 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1m90 h ALA 105 CO 0.00 -0.43 0.00 2.41 0.00 0.00 0.00 179.25 181.23 1m90 n THR 106 N -2.59 0.00 -0.30 0.00 -1.04 -1.26 -2.47 114.28 106.62 1m90 n THR 106 Ca -0.01 0.50 0.12 0.00 -2.04 0.00 0.00 64.05 62.62 1m90 n THR 106 Cb 0.49 -1.49 0.29 0.00 -1.82 0.00 0.00 70.33 67.80 1m90 n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1m90 h VAL 107 N 0.00 0.41 0.29 12.58 2.07 -1.77 -1.08 116.25 128.75 1m90 h VAL 107 Ca 0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1m90 h VAL 107 Cb 0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1m90 h VAL 107 CO 0.00 0.06 -0.22 0.25 0.02 0.00 0.00 177.57 177.68 1m90 h LEU 108 N 0.31 -0.57 -1.58 2.57 5.85 -0.09 -0.51 115.31 121.30 1m90 h LEU 108 Ca 0.54 0.04 0.44 0.00 0.84 0.00 0.00 57.88 59.74 1m90 h LEU 108 Cb 1.05 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 1m90 h LEU 108 CO -0.58 -0.31 0.94 -0.08 -0.34 0.00 0.00 178.44 178.08 1m90 h GLU 109 N -0.49 0.08 0.02 1.25 4.81 -0.93 0.78 114.58 120.10 1m90 h GLU 109 Ca -0.04 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 1m90 h GLU 109 Cb 0.40 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1m90 h GLU 109 CO 0.01 0.06 -0.96 0.93 -0.73 0.00 0.00 179.01 178.32 1m90 h GLU 110 N 0.09 0.06 -0.35 1.92 5.08 -0.75 -2.81 114.58 117.82 1m90 h GLU 110 Ca 0.80 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.97 1m90 h GLU 110 Cb 2.67 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.94 1m90 h GLU 110 CO -0.29 0.97 -0.21 0.82 -1.00 0.00 0.00 179.01 179.30 1m90 h ILE 111 N 0.02 1.27 -0.46 3.13 2.04 0.22 0.69 117.51 124.42 1m90 h ILE 111 Ca -0.03 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 1m90 h ILE 111 Cb 1.67 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1m90 h ILE 111 CO 0.13 0.42 0.04 0.00 0.00 0.00 0.00 178.15 178.75 1m90 h ALA 112 N 1.18 1.21 -0.06 1.87 0.00 -1.23 -1.73 119.26 120.51 1m90 h ALA 112 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1m90 h ALA 112 Cb 0.68 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1m90 h ALA 112 CO 0.05 0.53 -0.07 -0.44 0.00 0.00 0.00 179.25 179.32 1m90 h ASP 113 N 0.69 0.16 -0.88 0.00 3.32 -1.12 -1.39 116.42 117.20 1m90 h ASP 113 Ca 0.15 -0.51 0.11 0.00 0.02 0.00 0.00 57.03 56.80 1m90 h ASP 113 Cb 0.36 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 1m90 h ASP 113 CO 0.01 0.63 0.52 0.11 -1.72 0.00 0.00 179.24 178.79 1m90 h LYS 114 N -0.32 0.81 -0.04 3.56 1.57 -0.66 -1.18 116.57 120.31 1m90 h LYS 114 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1m90 h LYS 114 Cb 0.60 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1m90 h LYS 114 CO 0.02 0.53 -0.02 0.28 -0.57 0.00 0.00 179.45 179.69 1m90 h VAL 115 N 0.83 1.33 -0.89 0.50 2.07 -1.28 0.63 116.25 119.45 1m90 h VAL 115 Ca 0.44 -1.03 0.20 0.00 0.82 0.00 0.00 66.70 67.12 1m90 h VAL 115 Cb 0.44 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 1m90 h VAL 115 CO -0.27 0.28 0.59 -0.33 0.02 0.00 0.00 177.57 177.86 1m90 h GLU 116 N -0.32 0.41 0.00 1.57 4.39 -0.81 0.68 114.58 120.49 1m90 h GLU 116 Ca 0.01 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1m90 h GLU 116 Cb 0.46 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1m90 h GLU 116 CO 0.01 0.27 -0.74 0.93 -1.16 0.00 0.00 179.01 178.31 1m90 h GLU 117 N 0.42 0.00 0.00 2.33 5.08 -0.95 -2.60 114.58 118.86 1m90 h GLU 117 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1m90 h GLU 117 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1m90 h GLU 117 CO -0.18 0.74 0.00 -0.11 -1.00 0.00 0.00 179.01 178.47 1m90 n LEU 118 N -3.41 0.00 0.00 1.33 7.94 0.23 -5.09 117.00 118.00 1m90 n LEU 118 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1m90 n LEU 118 Cb 0.79 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.74 1m90 n LEU 118 CO 0.43 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.57