#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 h VAL 2 N 0.00 1.12 -0.00 -1.45 -1.51 -1.98 -3.31 116.25 109.12 3i56 h VAL 2 Ca 0.00 -2.76 0.00 0.00 -1.23 0.00 0.00 66.70 62.71 3i56 h VAL 2 Cb 0.00 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3i56 h VAL 2 CO 0.00 0.64 -0.83 0.00 -1.23 0.00 0.00 177.57 176.15 3i56 n TYR 3 N -3.17 0.00 -3.13 5.19 0.18 -1.26 -4.84 117.16 110.12 3i56 n TYR 3 Ca -0.06 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.30 3i56 n TYR 3 Cb 0.91 -0.08 -0.07 0.00 -0.38 0.00 0.00 39.34 39.73 3i56 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3i56 s VAL 4 N -2.99 4.89 -1.07 -3.48 1.01 -1.25 -4.85 120.40 112.66 3i56 s VAL 4 Ca 0.09 0.38 0.11 0.00 0.00 0.00 0.00 61.98 62.56 3i56 s VAL 4 Cb 0.17 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.46 3i56 s VAL 4 CO 0.81 -0.39 0.70 0.47 0.00 0.00 0.00 175.10 176.69 3i56 n ASP 5 N 6.06 1.39 -3.72 3.32 8.00 -1.26 -4.84 116.55 125.50 3i56 n ASP 5 Ca -0.02 -1.20 -0.12 0.00 0.71 0.00 0.00 54.79 54.16 3i56 n ASP 5 Cb 0.48 0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.86 3i56 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3i56 s PHE 6 N -1.35 -0.49 -0.10 1.24 -0.12 -1.26 -5.12 117.98 110.78 3i56 s PHE 6 Ca 0.10 1.14 -0.21 0.00 -0.05 0.00 0.00 56.93 57.91 3i56 s PHE 6 Cb 0.09 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 3i56 s PHE 6 CO 0.25 -0.25 0.61 0.34 -0.05 0.00 0.00 175.22 176.12 3i56 s ASP 7 N 0.60 6.85 -0.28 1.98 2.15 -1.26 -4.97 116.67 121.73 3i56 s ASP 7 Ca -0.03 1.02 -0.16 0.00 0.43 0.00 0.00 52.55 53.81 3i56 s ASP 7 Cb -0.05 -2.36 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 3i56 s ASP 7 CO -0.04 -0.09 0.41 -0.69 -0.17 0.00 0.00 175.17 174.60 3i56 s VAL 8 N 0.84 5.14 0.50 1.11 1.01 -1.26 -5.06 120.40 122.68 3i56 s VAL 8 Ca 0.32 0.56 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 3i56 s VAL 8 Cb -0.17 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3i56 s VAL 8 CO 0.14 0.08 1.28 -2.65 0.00 0.00 0.00 175.10 173.96 3i56 n PRO 9 N 5.42 1.70 -0.24 2.72 -0.02 -1.26 -4.83 135.00 138.48 3i56 n PRO 9 Ca -0.07 0.62 0.31 0.00 -2.02 0.00 0.00 63.50 62.33 3i56 n PRO 9 Cb 0.50 -2.46 0.72 0.00 -0.02 0.00 0.00 33.50 32.25 3i56 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i56 h ALA 10 N 1.58 2.91 0.12 3.55 0.00 -2.00 -1.09 119.26 124.33 3i56 h ALA 10 Ca -0.49 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 3i56 h ALA 10 Cb 1.31 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i56 h ALA 10 CO 0.57 -1.21 -1.30 -0.44 0.00 0.00 0.00 179.25 176.88 3i56 h ASP 11 N 0.03 0.39 0.62 0.00 3.32 -2.00 -3.08 116.42 115.70 3i56 h ASP 11 Ca 0.49 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3i56 h ASP 11 Cb 1.91 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 3i56 h ASP 11 CO -0.02 1.35 -0.42 0.25 -1.72 0.00 0.00 179.24 178.68 3i56 h LEU 12 N 0.07 0.00 -0.27 1.55 6.46 -1.57 -2.52 115.31 119.02 3i56 h LEU 12 Ca -0.15 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.40 3i56 h LEU 12 Cb 1.97 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.90 3i56 h LEU 12 CO 0.19 0.42 -0.84 -0.08 -0.62 0.00 0.00 178.44 177.51 3i56 h GLU 13 N 0.00 0.42 -0.44 1.25 4.81 -1.51 -2.59 114.58 116.52 3i56 h GLU 13 Ca -0.00 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 58.72 3i56 h GLU 13 Cb 0.85 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3i56 h GLU 13 CO 0.05 1.05 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.77 3i56 h ASP 14 N 0.26 0.85 -0.21 1.04 3.32 -1.39 -0.51 116.42 119.78 3i56 h ASP 14 Ca -0.06 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 3i56 h ASP 14 Cb 1.45 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3i56 h ASP 14 CO 0.15 1.01 -0.14 0.44 -1.72 0.00 0.00 179.24 178.98 3i56 h ASP 15 N 0.75 0.61 -0.04 6.45 5.19 -1.44 -2.10 116.42 125.84 3i56 h ASP 15 Ca 0.11 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.22 3i56 h ASP 15 Cb 0.69 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.05 3i56 h ASP 15 CO 0.05 0.77 -0.44 0.00 -3.12 0.00 0.00 179.24 176.51 3i56 h ALA 16 N 1.28 0.10 0.00 3.45 0.00 -1.18 -2.84 119.26 120.08 3i56 h ALA 16 Ca 0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i56 h ALA 16 Cb 0.57 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i56 h ALA 16 CO 0.04 0.26 -0.03 -0.07 0.00 0.00 0.00 179.25 179.45 3i56 h LEU 17 N -0.15 0.00 0.12 0.00 3.38 -1.05 -2.39 115.31 115.21 3i56 h LEU 17 Ca -0.04 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 3i56 h LEU 17 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3i56 h LEU 17 CO 0.09 0.03 -1.22 -0.33 0.09 0.00 0.00 178.44 177.10 3i56 h GLU 18 N 0.00 0.25 0.00 1.13 5.08 -1.43 -3.05 114.58 116.56 3i56 h GLU 18 Ca -0.00 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 3i56 h GLU 18 Cb 0.61 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3i56 h GLU 18 CO 0.00 1.20 -0.39 0.00 -1.00 0.00 0.00 179.01 178.83 3i56 h ALA 19 N 0.61 1.09 0.06 3.43 0.00 -1.22 -3.06 119.26 120.17 3i56 h ALA 19 Ca -0.12 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 3i56 h ALA 19 Cb 1.95 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.69 3i56 h ALA 19 CO 0.20 0.48 -1.09 1.25 0.00 0.00 0.00 179.25 180.09 3i56 h LEU 20 N 0.00 0.63 -1.33 0.00 5.85 -1.46 -2.67 115.31 116.33 3i56 h LEU 20 Ca -0.00 -0.56 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 3i56 h LEU 20 Cb 0.83 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3i56 h LEU 20 CO 0.05 1.38 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.86 3i56 h GLU 21 N 0.23 0.00 0.00 1.25 5.08 -1.43 -2.32 114.58 117.39 3i56 h GLU 21 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i56 h GLU 21 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3i56 h GLU 21 CO 0.19 0.33 -0.69 1.33 -1.00 0.00 0.00 179.01 179.18 3i56 n VAL 22 N -4.07 0.02 0.07 3.13 0.24 -1.18 -3.94 118.33 112.60 3i56 n VAL 22 Ca -0.02 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 3i56 n VAL 22 Cb 0.38 0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 33.13 3i56 n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i56 h ALA 23 N 2.96 0.41 0.05 2.33 0.00 -1.06 -3.12 119.26 120.83 3i56 h ALA 23 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 54.91 53.85 3i56 h ALA 23 Cb 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i56 h ALA 23 CO 0.00 1.14 -1.03 0.07 0.00 0.00 0.00 179.25 179.42 3i56 h ARG 24 N 0.00 0.25 -0.00 0.00 0.11 -1.62 -2.41 114.38 110.70 3i56 h ARG 24 Ca -0.01 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3i56 h ARG 24 Cb 1.70 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.89 3i56 h ARG 24 CO 0.12 1.09 -0.10 -0.25 0.10 0.00 0.00 179.97 180.93 3i56 n ASP 25 N -3.60 0.32 0.00 0.08 8.00 -1.24 -4.56 116.55 115.54 3i56 n ASP 25 Ca -0.06 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3i56 n ASP 25 Cb 0.90 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 3i56 n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i56 n THR 26 N -1.12 0.00 0.00 -3.53 -1.04 -1.18 -5.11 114.28 102.30 3i56 n THR 26 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 3i56 n THR 26 Cb 0.28 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 3i56 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i56 n GLY 27 N 3.78 0.74 2.95 3.41 0.00 -0.91 -4.99 105.19 110.16 3i56 n GLY 27 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3i56 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 28 N -3.64 0.13 0.07 4.61 0.00 -0.93 -4.75 121.76 117.24 3i56 s ALA 28 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3i56 s ALA 28 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3i56 s ALA 28 CO 0.00 -0.08 -0.12 0.14 0.00 0.00 0.00 175.76 175.70 3i56 s VAL 29 N -0.89 0.95 -0.16 0.00 -7.23 -1.26 -1.79 120.40 110.03 3i56 s VAL 29 Ca -0.09 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 3i56 s VAL 29 Cb -0.06 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 3i56 s VAL 29 CO -0.01 -0.32 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.86 3i56 s LYS 30 N -1.88 3.54 -0.17 4.82 -0.14 0.14 -4.89 119.74 121.16 3i56 s LYS 30 Ca -0.03 -0.59 -0.03 0.00 -1.36 0.00 0.00 55.97 53.96 3i56 s LYS 30 Cb -0.09 -2.83 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 3i56 s LYS 30 CO 0.01 0.17 -0.05 0.15 -0.76 0.00 0.00 175.35 174.88 3i56 s LYS 31 N 0.51 3.57 0.00 1.68 1.02 -1.26 -0.05 119.74 125.20 3i56 s LYS 31 Ca -0.05 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.37 3i56 s LYS 31 Cb -0.15 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 3i56 s LYS 31 CO 0.03 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 3i56 n GLY 32 N 3.79 2.27 0.43 -3.33 0.00 -0.44 -4.68 105.19 103.24 3i56 n GLY 32 Ca -0.18 -1.51 0.24 0.00 0.00 0.00 0.00 46.02 44.57 3i56 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i56 h THR 33 N 0.00 0.59 -0.07 2.61 2.02 -1.93 -1.99 112.91 114.15 3i56 h THR 33 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3i56 h THR 33 Cb 0.00 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3i56 h THR 33 CO 0.00 0.05 -0.04 -1.13 0.37 0.00 0.00 175.52 174.77 3i56 h ASN 34 N 0.26 0.15 0.40 4.18 -1.24 -1.92 -2.24 115.58 115.17 3i56 h ASN 34 Ca 0.49 -0.43 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 3i56 h ASN 34 Cb 1.47 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.47 3i56 h ASN 34 CO -0.15 0.55 -0.28 -0.33 -1.29 0.00 0.00 177.43 175.93 3i56 h GLU 35 N -0.25 0.00 -0.28 6.67 5.08 -1.68 -1.96 114.58 122.16 3i56 h GLU 35 Ca 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 3i56 h GLU 35 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3i56 h GLU 35 CO 0.01 0.28 -0.47 1.15 -1.00 0.00 0.00 179.01 178.98 3i56 h THR 36 N 0.00 1.29 -0.55 1.13 2.02 -1.34 -2.80 112.91 112.66 3i56 h THR 36 Ca -0.00 -1.66 -0.10 0.00 0.77 0.00 0.00 66.41 65.41 3i56 h THR 36 Cb 0.56 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3i56 h THR 36 CO 0.04 0.54 -0.05 0.74 0.37 0.00 0.00 175.52 177.15 3i56 h THR 37 N 0.58 1.27 0.00 3.16 2.02 -0.82 -2.74 112.91 116.38 3i56 h THR 37 Ca 0.02 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3i56 h THR 37 Cb 1.08 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3i56 h THR 37 CO 0.11 0.42 0.00 0.29 0.37 0.00 0.00 175.52 176.71 3i56 n LYS 38 N -4.21 0.21 0.10 6.66 5.02 -0.79 -2.17 118.16 122.99 3i56 n LYS 38 Ca 0.02 0.34 -0.22 0.00 -2.02 0.00 0.00 58.31 56.42 3i56 n LYS 38 Cb 0.37 -1.84 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 3i56 n LYS 38 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3i56 h SER 39 N 0.00 0.65 0.12 4.39 0.02 -1.21 -2.23 113.55 115.28 3i56 h SER 39 Ca 0.00 -0.94 -0.09 0.00 -0.84 0.00 0.00 61.79 59.92 3i56 h SER 39 Cb 0.50 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3i56 h SER 39 CO 0.00 1.55 -0.31 0.40 -1.14 0.00 0.00 176.83 177.33 3i56 h ILE 40 N -0.13 1.27 0.09 3.27 2.04 -1.35 -0.76 117.51 121.94 3i56 h ILE 40 Ca -0.20 -1.29 -0.26 0.00 1.00 0.00 0.00 64.86 64.11 3i56 h ILE 40 Cb 1.89 1.50 0.01 0.00 -0.74 0.00 0.00 36.82 39.48 3i56 h ILE 40 CO 0.21 0.39 -1.15 -0.33 0.00 0.00 0.00 178.15 177.28 3i56 h GLU 41 N 0.26 0.33 -0.05 2.37 5.08 -1.50 -3.15 114.58 117.91 3i56 h GLU 41 Ca 0.04 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3i56 h GLU 41 Cb 0.68 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3i56 h GLU 41 CO 0.05 1.19 0.00 0.54 -1.00 0.00 0.00 179.01 179.79 3i56 n ARG 42 N -3.61 1.65 0.00 2.33 1.74 -0.84 -4.94 116.66 112.99 3i56 n ARG 42 Ca -0.08 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 3i56 n ARG 42 Cb 0.96 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 3i56 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 43 N 1.15 2.34 0.25 -0.13 0.00 -0.38 -4.88 105.19 103.54 3i56 n GLY 43 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3i56 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i56 n SER 44 N 0.00 0.22 -4.76 1.61 3.41 -0.69 -4.76 113.62 108.65 3i56 n SER 44 Ca 0.00 -0.87 -0.35 0.00 -0.26 0.00 0.00 58.87 57.39 3i56 n SER 44 Cb 0.00 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 3i56 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i56 s ALA 45 N -1.50 3.71 -0.25 7.33 0.00 -1.17 -4.24 121.76 125.64 3i56 s ALA 45 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 3i56 s ALA 45 Cb 0.00 -2.10 -0.11 0.00 0.00 0.00 0.00 23.12 20.90 3i56 s ALA 45 CO 0.00 0.26 -0.32 0.39 0.00 0.00 0.00 175.76 176.10 3i56 n GLU 46 N 3.18 0.53 -3.68 0.00 1.02 -0.83 -4.86 120.64 116.00 3i56 n GLU 46 Ca -0.17 0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 3i56 n GLU 46 Cb 0.53 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 30.41 3i56 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i56 s LEU 47 N -7.31 0.02 -0.12 -4.62 2.96 -1.23 -4.02 118.68 104.36 3i56 s LEU 47 Ca -0.35 0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3i56 s LEU 47 Cb 0.13 0.48 -0.03 0.00 0.50 0.00 0.00 46.19 47.27 3i56 s LEU 47 CO 0.45 -0.22 -0.01 0.68 -1.32 0.00 0.00 176.35 175.93 3i56 s VAL 48 N 2.06 4.21 -0.05 1.68 -7.23 -0.84 -1.08 120.40 119.16 3i56 s VAL 48 Ca -0.01 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.87 3i56 s VAL 48 Cb -0.12 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3i56 s VAL 48 CO -0.07 0.56 0.09 -0.36 -0.31 0.00 0.00 175.10 175.00 3i56 s PHE 49 N -0.38 3.36 -0.04 2.82 0.40 0.14 -1.60 117.98 122.68 3i56 s PHE 49 Ca 0.07 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 3i56 s PHE 49 Cb -0.12 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.62 3i56 s PHE 49 CO 0.02 0.59 0.10 0.08 0.70 0.00 0.00 175.22 176.71 3i56 s VAL 50 N -1.10 -0.03 0.39 -0.44 1.01 -0.80 -1.46 120.40 117.97 3i56 s VAL 50 Ca 0.19 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 3i56 s VAL 50 Cb -0.12 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 3i56 s VAL 50 CO 0.09 0.04 0.83 0.00 0.00 0.00 0.00 175.10 176.07 3i56 s ALA 51 N 0.67 3.21 -0.13 5.51 0.00 -0.33 -0.87 121.76 129.82 3i56 s ALA 51 Ca -0.05 0.13 0.18 0.00 0.00 0.00 0.00 51.96 52.22 3i56 s ALA 51 Cb -0.07 -2.91 -0.16 0.00 0.00 0.00 0.00 23.12 19.97 3i56 s ALA 51 CO -0.03 0.16 0.70 0.39 0.00 0.00 0.00 175.76 176.98 3i56 n GLU 52 N -0.72 0.63 -1.35 0.00 1.02 -0.00 -4.40 120.64 115.82 3i56 n GLU 52 Ca 0.05 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 57.00 3i56 n GLU 52 Cb 0.54 -1.73 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 3i56 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i56 n ASP 53 N -2.76 7.31 -4.66 1.62 5.75 -1.19 -4.30 116.55 118.33 3i56 n ASP 53 Ca -0.11 -3.59 -0.41 0.00 -0.01 0.00 0.00 54.79 50.67 3i56 n ASP 53 Cb 0.81 -1.03 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 3i56 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i56 s VAL 54 N -4.11 4.96 -0.18 2.12 1.01 -1.26 -4.87 120.40 118.07 3i56 s VAL 54 Ca 0.55 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 3i56 s VAL 54 Cb 0.43 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.85 3i56 s VAL 54 CO -0.10 0.06 -0.04 -1.58 0.00 0.00 0.00 175.10 173.44 3i56 s GLN 55 N 2.14 1.33 0.54 2.72 -0.44 -1.26 -3.53 119.66 121.16 3i56 s GLN 55 Ca 0.32 -0.59 -0.17 0.00 -2.50 0.00 0.00 55.36 52.42 3i56 s GLN 55 Cb -0.16 -2.12 -0.06 0.00 -1.64 0.00 0.00 33.01 29.03 3i56 s GLN 55 CO 0.10 -0.50 1.02 -1.25 0.50 0.00 0.00 175.29 175.16 3i56 s PRO 56 N 1.63 3.70 0.33 1.67 0.04 -1.26 -5.09 135.00 136.02 3i56 s PRO 56 Ca -0.01 1.08 0.26 0.00 0.04 0.00 0.00 61.00 62.37 3i56 s PRO 56 Cb -0.16 -2.09 1.10 0.00 0.04 0.00 0.00 34.50 33.38 3i56 s PRO 56 CO -0.07 -0.48 1.78 0.93 0.04 0.00 0.00 177.00 179.19 3i56 h GLU 57 N 0.80 0.00 -0.33 4.56 5.08 -2.00 -3.25 114.58 119.44 3i56 h GLU 57 Ca -0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 3i56 h GLU 57 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3i56 h GLU 57 CO 0.60 0.00 0.06 0.93 -1.00 0.00 0.00 179.01 179.60 3i56 h GLU 58 N 0.00 0.48 -0.31 2.33 3.07 -1.99 -0.58 114.58 117.59 3i56 h GLU 58 Ca 0.00 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3i56 h GLU 58 Cb 0.38 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3i56 h GLU 58 CO 0.00 0.46 0.21 0.82 -1.40 0.00 0.00 179.01 179.10 3i56 h ILE 59 N 0.47 0.98 0.00 3.13 2.04 -1.97 -3.22 117.51 118.94 3i56 h ILE 59 Ca 0.11 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.72 3i56 h ILE 59 Cb 0.22 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3i56 h ILE 59 CO -0.00 0.05 -1.64 0.52 0.00 0.00 0.00 178.15 177.07 3i56 n VAL 60 N -4.49 0.60 -0.08 1.67 0.31 -1.09 -4.80 118.33 110.46 3i56 n VAL 60 Ca 0.03 -0.39 0.07 0.00 -0.01 0.00 0.00 64.34 64.04 3i56 n VAL 60 Cb 0.20 -0.66 0.14 0.00 -0.91 0.00 0.00 33.84 32.60 3i56 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3i56 n MET 61 N -2.31 -0.02 0.15 5.55 2.81 -0.25 -1.16 117.12 121.90 3i56 n MET 61 Ca -0.15 0.34 0.03 0.00 -1.81 0.00 0.00 57.70 56.11 3i56 n MET 61 Cb 0.77 -0.60 0.17 0.00 -0.71 0.00 0.00 33.22 32.85 3i56 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 3i56 h HIS 62 N 0.00 0.00 -0.50 2.03 2.07 -1.87 -3.38 115.15 113.50 3i56 h HIS 62 Ca 0.20 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.81 3i56 h HIS 62 Cb 0.52 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.42 3i56 h HIS 62 CO -0.01 0.51 0.05 0.82 -3.07 0.00 0.00 177.93 176.22 3i56 h ILE 63 N 0.00 0.66 -0.44 6.12 1.08 -1.51 -1.18 117.51 122.24 3i56 h ILE 63 Ca -0.01 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3i56 h ILE 63 Cb 1.17 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3i56 h ILE 63 CO 0.07 0.03 0.29 -0.65 -0.69 0.00 0.00 178.15 177.20 3i56 h PRO 64 N 0.17 0.54 0.00 2.37 0.11 -1.80 -0.25 132.00 133.13 3i56 h PRO 64 Ca 0.25 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 66.07 3i56 h PRO 64 Cb 0.37 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3i56 h PRO 64 CO -0.38 0.35 -1.52 1.49 -0.21 0.00 0.00 178.00 177.73 3i56 h GLU 65 N 0.55 0.00 -0.16 1.05 4.81 -1.80 -3.13 114.58 115.90 3i56 h GLU 65 Ca 0.17 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 3i56 h GLU 65 Cb -0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3i56 h GLU 65 CO -0.04 0.59 -0.49 1.25 -0.73 0.00 0.00 179.01 179.59 3i56 h LEU 66 N 0.00 0.46 -0.25 1.64 5.85 -0.83 -2.35 115.31 119.83 3i56 h LEU 66 Ca -0.22 -0.23 -0.21 0.00 0.84 0.00 0.00 57.88 58.07 3i56 h LEU 66 Cb 1.93 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.83 3i56 h LEU 66 CO 0.09 0.88 -0.79 0.00 -0.34 0.00 0.00 178.44 178.27 3i56 h ALA 67 N 1.14 0.42 0.00 1.25 0.00 -1.19 -3.06 119.26 117.82 3i56 h ALA 67 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3i56 h ALA 67 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i56 h ALA 67 CO 0.09 0.73 0.00 -0.44 0.00 0.00 0.00 179.25 179.63 3i56 h ASP 68 N 0.39 0.00 -0.55 0.00 3.32 -1.46 -1.92 116.42 116.20 3i56 h ASP 68 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3i56 h ASP 68 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3i56 h ASP 68 CO 0.15 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 175.83 3i56 n GLU 69 N -2.95 2.78 0.00 3.56 0.28 -0.90 -4.25 120.64 119.17 3i56 n GLU 69 Ca 0.01 -2.37 0.00 0.00 -0.16 0.00 0.00 57.16 54.64 3i56 n GLU 69 Cb 0.31 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.75 3i56 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3i56 n LYS 70 N 1.12 0.92 0.00 3.44 4.76 -0.98 -5.03 118.16 122.40 3i56 n LYS 70 Ca 0.18 -0.78 0.00 0.00 -2.87 0.00 0.00 58.31 54.85 3i56 n LYS 70 Cb 0.53 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 3i56 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i56 n GLY 71 N -0.16 1.65 3.70 0.72 0.00 -0.76 -4.97 105.19 105.36 3i56 n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i56 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 72 N -0.80 2.72 0.49 1.61 1.01 -1.08 -4.97 120.40 119.37 3i56 s VAL 72 Ca 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 3i56 s VAL 72 Cb 0.00 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3i56 s VAL 72 CO 0.00 0.01 1.03 -2.84 0.00 0.00 0.00 175.10 173.29 3i56 s PRO 73 N 2.24 3.81 0.08 2.72 0.02 -1.26 -4.47 135.00 138.14 3i56 s PRO 73 Ca 0.75 1.31 0.01 0.00 0.02 0.00 0.00 61.00 63.09 3i56 s PRO 73 Cb -0.43 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 3i56 s PRO 73 CO 0.33 -0.42 -0.06 -0.59 -0.33 0.00 0.00 177.00 175.94 3i56 s PHE 74 N -2.07 0.76 0.01 6.54 -0.12 -1.26 -1.99 117.98 119.86 3i56 s PHE 74 Ca 0.66 -0.89 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 3i56 s PHE 74 Cb -0.15 -0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 41.77 3i56 s PHE 74 CO 0.21 -0.20 0.09 -1.50 -0.05 0.00 0.00 175.22 173.78 3i56 s ILE 75 N -3.38 0.09 -0.04 -4.49 2.07 -0.63 -4.96 121.20 109.86 3i56 s ILE 75 Ca 0.08 -0.76 -0.05 0.00 -1.41 0.00 0.00 60.65 58.51 3i56 s ILE 75 Cb 0.04 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 3i56 s ILE 75 CO -0.05 -0.42 0.19 -0.36 -1.91 0.00 0.00 174.94 172.39 3i56 s PHE 76 N -1.42 3.58 -0.02 3.50 0.40 -1.26 -1.90 117.98 120.85 3i56 s PHE 76 Ca -0.15 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.72 3i56 s PHE 76 Cb -0.08 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 3i56 s PHE 76 CO 0.01 0.67 -0.23 0.08 0.70 0.00 0.00 175.22 176.45 3i56 s VAL 77 N -1.21 1.80 0.03 -0.44 1.01 -0.05 -4.88 120.40 116.66 3i56 s VAL 77 Ca 0.23 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 3i56 s VAL 77 Cb -0.13 -1.50 -0.17 0.00 0.00 0.00 0.00 36.38 34.59 3i56 s VAL 77 CO 0.13 0.51 1.31 -0.33 0.00 0.00 0.00 175.10 176.72 3i56 h GLU 78 N 5.63 -0.66 -6.03 2.72 4.39 -1.95 0.04 114.58 118.71 3i56 h GLU 78 Ca -0.40 0.04 -0.64 0.00 0.34 0.00 0.00 59.36 58.70 3i56 h GLU 78 Cb 1.14 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.85 3i56 h GLU 78 CO 0.47 -0.36 -0.57 -0.65 -1.16 0.00 0.00 179.01 176.75 3i56 s GLN 79 N -5.04 3.08 0.14 2.33 -0.21 -1.26 -3.16 119.66 115.54 3i56 s GLN 79 Ca -0.15 -0.53 -0.10 0.00 0.02 0.00 0.00 55.36 54.60 3i56 s GLN 79 Cb 0.02 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 3i56 s GLN 79 CO 0.53 0.62 1.43 0.37 -2.12 0.00 0.00 175.29 176.12 3i56 h GLN 80 N 3.68 0.82 0.00 2.91 4.15 -1.88 -3.23 115.11 121.56 3i56 h GLN 80 Ca -0.48 -0.51 -0.10 0.00 0.77 0.00 0.00 58.65 58.33 3i56 h GLN 80 Cb 1.17 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 3i56 h GLN 80 CO 0.66 1.14 -0.46 -0.44 -1.93 0.00 0.00 178.83 177.80 3i56 h ASP 81 N 0.63 0.00 0.30 -0.69 3.32 -1.93 -2.00 116.42 116.05 3i56 h ASP 81 Ca 0.02 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 3i56 h ASP 81 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3i56 h ASP 81 CO 0.12 0.46 -0.88 0.44 -1.72 0.00 0.00 179.24 177.66 3i56 h ASP 82 N 0.00 0.53 0.36 6.45 3.32 -1.94 -2.59 116.42 122.54 3i56 h ASP 82 Ca -0.00 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.50 3i56 h ASP 82 Cb 0.94 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3i56 h ASP 82 CO 0.06 1.18 -0.61 0.25 -1.72 0.00 0.00 179.24 178.40 3i56 h LEU 83 N 0.25 0.28 -0.32 1.55 5.85 -1.57 -1.66 115.31 119.70 3i56 h LEU 83 Ca -0.06 -0.16 -0.19 0.00 0.84 0.00 0.00 57.88 58.31 3i56 h LEU 83 Cb 1.50 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3i56 h LEU 83 CO 0.15 0.82 -0.56 1.23 -0.34 0.00 0.00 178.44 179.74 3i56 h GLY 84 N 1.47 0.92 1.78 3.75 0.00 -1.47 -2.00 103.07 107.51 3i56 h GLY 84 Ca -0.01 -1.09 -0.14 0.00 0.00 0.00 0.00 47.33 46.09 3i56 h GLY 84 CO 0.09 0.97 -0.59 0.84 0.00 0.00 0.00 176.54 177.86 3i56 h HIS 85 N 0.64 0.30 -0.17 5.60 -0.00 -1.42 0.16 115.15 120.25 3i56 h HIS 85 Ca 0.01 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.17 3i56 h HIS 85 Cb 1.16 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.51 3i56 h HIS 85 CO 0.07 0.76 -0.33 0.00 -0.00 0.00 0.00 177.93 178.43 3i56 h ALA 86 N 1.21 1.13 -0.00 5.26 0.00 -1.19 -1.90 119.26 123.77 3i56 h ALA 86 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3i56 h ALA 86 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i56 h ALA 86 CO 0.09 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.82 3i56 n ALA 87 N -2.48 2.53 -1.28 0.00 0.00 -0.76 -3.91 120.51 114.61 3i56 n ALA 87 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i56 n ALA 87 Cb 0.44 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i56 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 88 N 1.48 0.99 3.21 0.00 0.00 -0.71 -5.00 105.19 105.15 3i56 n GLY 88 Ca 0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 3i56 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i56 s LEU 89 N -0.49 2.28 0.22 0.99 1.43 0.01 -5.00 118.68 118.13 3i56 s LEU 89 Ca 0.00 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 3i56 s LEU 89 Cb 0.00 -0.65 0.19 0.00 0.03 0.00 0.00 46.19 45.76 3i56 s LEU 89 CO 0.00 -0.02 1.51 -0.33 0.23 0.00 0.00 176.35 177.74 3i56 h GLU 90 N 4.23 0.14 -6.56 1.70 5.08 -1.95 -3.20 114.58 114.02 3i56 h GLU 90 Ca -0.43 -0.11 -0.52 0.00 -1.00 0.00 0.00 59.36 57.30 3i56 h GLU 90 Cb 1.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3i56 h GLU 90 CO 0.40 0.78 -0.07 0.08 -1.00 0.00 0.00 179.01 179.20 3i56 s VAL 91 N -3.50 4.93 0.82 3.13 1.01 -1.26 -4.89 120.40 120.63 3i56 s VAL 91 Ca -0.02 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 3i56 s VAL 91 Cb 0.12 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.89 3i56 s VAL 91 CO 0.80 -0.28 1.12 -0.83 0.00 0.00 0.00 175.10 175.90 3i56 s GLY 92 N -2.87 1.61 -0.01 4.51 0.00 -1.26 -4.40 107.32 104.89 3i56 s GLY 92 Ca 0.47 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.85 3i56 s GLY 92 CO 0.27 0.10 -0.08 -0.45 0.00 0.00 0.00 173.10 172.93 3i56 s SER 93 N -4.08 1.04 0.19 1.64 0.15 -0.78 -4.79 113.70 107.07 3i56 s SER 93 Ca 0.61 -0.16 0.09 0.00 0.70 0.00 0.00 55.95 57.20 3i56 s SER 93 Cb -0.14 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.01 3i56 s SER 93 CO 0.53 0.08 1.42 0.00 1.20 0.00 0.00 173.24 176.47 3i56 h ALA 94 N 6.16 0.60 -2.03 5.45 0.00 -1.97 -3.40 119.26 124.07 3i56 h ALA 94 Ca -0.32 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 53.80 3i56 h ALA 94 Cb 1.18 -0.13 -0.21 0.00 0.00 0.00 0.00 17.79 18.63 3i56 h ALA 94 CO 0.49 1.02 0.13 0.00 0.00 0.00 0.00 179.25 180.89 3i56 s ALA 95 N -3.06 -1.74 0.10 0.00 0.00 -1.26 -1.18 121.76 114.61 3i56 s ALA 95 Ca 0.00 1.82 0.02 0.00 0.00 0.00 0.00 51.96 53.81 3i56 s ALA 95 Cb 0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3i56 s ALA 95 CO 0.79 -0.34 -0.08 0.00 0.00 0.00 0.00 175.76 176.13 3i56 s ALA 96 N -0.00 1.03 0.00 0.00 0.00 -0.53 -1.33 121.76 120.92 3i56 s ALA 96 Ca -0.03 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3i56 s ALA 96 Cb -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3i56 s ALA 96 CO 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 175.76 175.55 3i56 s ALA 97 N -3.16 0.63 -0.54 0.00 0.00 0.93 0.27 121.76 119.89 3i56 s ALA 97 Ca 0.09 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 3i56 s ALA 97 Cb 0.02 -0.13 0.12 0.00 0.00 0.00 0.00 23.12 23.13 3i56 s ALA 97 CO -0.03 0.13 0.50 0.08 0.00 0.00 0.00 175.76 176.45 3i56 s VAL 98 N -0.34 5.19 -0.57 0.00 1.01 -0.24 0.28 120.40 125.74 3i56 s VAL 98 Ca 0.01 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 3i56 s VAL 98 Cb -0.04 -4.33 0.13 0.00 0.00 0.00 0.00 36.38 32.14 3i56 s VAL 98 CO -0.00 -0.86 0.55 0.28 0.00 0.00 0.00 175.10 175.08 3i56 s THR 99 N 1.68 5.16 -0.23 3.92 -1.32 -0.74 -1.96 115.64 122.16 3i56 s THR 99 Ca 0.04 -1.47 -0.05 0.00 -1.21 0.00 0.00 61.69 59.00 3i56 s THR 99 Cb -0.29 -4.38 0.02 0.00 -1.51 0.00 0.00 72.50 66.34 3i56 s THR 99 CO 0.04 -0.93 0.10 0.47 -2.21 0.00 0.00 174.62 172.09 3i56 n ASP 100 N 5.37 -4.24 0.00 8.08 9.92 -1.26 -3.42 116.55 130.99 3i56 n ASP 100 Ca -0.11 1.24 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 3i56 n ASP 100 Cb 0.41 -4.83 0.00 0.00 -0.64 0.00 0.00 41.12 36.06 3i56 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i56 n ALA 101 N 1.03 0.00 0.00 2.24 0.00 -1.26 -2.19 120.51 120.33 3i56 n ALA 101 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i56 n ALA 101 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3i56 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 102 N 0.00 2.19 2.49 0.00 0.00 -1.26 -3.19 105.19 105.42 3i56 n GLY 102 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 3i56 n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i56 n GLU 103 N 0.00 -2.18 0.00 1.61 1.02 -1.26 -4.61 120.64 115.22 3i56 n GLU 103 Ca 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 3i56 n GLU 103 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 25.98 3i56 n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i56 n ALA 104 N -2.25 0.00 0.22 0.62 0.00 -1.26 -4.91 120.51 112.93 3i56 n ALA 104 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.42 3i56 n ALA 104 Cb 0.64 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.92 3i56 n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i56 h ASP 105 N 0.00 0.00 0.67 0.00 3.32 -1.94 0.17 116.42 118.64 3i56 h ASP 105 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 3i56 h ASP 105 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3i56 h ASP 105 CO 0.00 0.00 -1.26 0.00 -1.72 0.00 0.00 179.24 176.26 3i56 h ALA 106 N 1.84 0.21 0.02 3.45 0.00 -1.99 -3.02 119.26 119.79 3i56 h ALA 106 Ca 0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 3i56 h ALA 106 Cb 0.35 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i56 h ALA 106 CO -0.00 1.09 -0.35 -0.44 0.00 0.00 0.00 179.25 179.55 3i56 h ASP 107 N 0.05 0.27 -0.87 0.00 3.32 -1.53 -3.13 116.42 114.53 3i56 h ASP 107 Ca -0.13 -0.84 0.04 0.00 0.02 0.00 0.00 57.03 56.12 3i56 h ASP 107 Cb 1.94 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 41.35 3i56 h ASP 107 CO 0.17 1.08 0.57 0.58 -1.72 0.00 0.00 179.24 179.92 3i56 h VAL 108 N -0.51 1.12 -0.74 -1.35 2.07 -0.88 -0.61 116.25 115.35 3i56 h VAL 108 Ca -0.05 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3i56 h VAL 108 Cb 1.15 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3i56 h VAL 108 CO 0.07 0.19 0.29 -0.08 0.02 0.00 0.00 177.57 178.06 3i56 h GLU 109 N 1.05 1.10 -0.02 1.57 4.81 -1.61 -0.76 114.58 120.73 3i56 h GLU 109 Ca 0.35 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 3i56 h GLU 109 Cb 0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3i56 h GLU 109 CO -0.11 0.91 -0.81 -0.44 -0.73 0.00 0.00 179.01 177.82 3i56 h ASP 110 N 1.06 0.29 -0.35 1.04 3.32 -1.27 -2.47 116.42 118.04 3i56 h ASP 110 Ca 0.24 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3i56 h ASP 110 Cb 0.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3i56 h ASP 110 CO -0.02 0.98 -0.36 0.40 -1.72 0.00 0.00 179.24 178.52 3i56 h ILE 111 N 0.14 1.27 -0.08 0.35 2.04 -0.90 0.20 117.51 120.54 3i56 h ILE 111 Ca -0.04 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 3i56 h ILE 111 Cb 1.40 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3i56 h ILE 111 CO 0.13 0.51 -0.22 0.00 0.00 0.00 0.00 178.15 178.57 3i56 h ALA 112 N 0.85 1.50 0.20 1.87 0.00 -1.09 -1.58 119.26 121.00 3i56 h ALA 112 Ca 0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 3i56 h ALA 112 Cb 0.94 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.69 3i56 h ALA 112 CO 0.09 0.36 -1.28 -0.44 0.00 0.00 0.00 179.25 177.98 3i56 h ASP 113 N 0.12 0.78 -0.12 0.00 3.32 -1.04 -3.17 116.42 116.31 3i56 h ASP 113 Ca 0.02 -0.90 -0.05 0.00 0.02 0.00 0.00 57.03 56.12 3i56 h ASP 113 Cb 0.46 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3i56 h ASP 113 CO 0.03 1.62 -0.06 0.11 -1.72 0.00 0.00 179.24 179.22 3i56 h LYS 114 N 0.08 0.39 -0.09 3.56 1.57 -0.19 -2.56 116.57 119.32 3i56 h LYS 114 Ca -0.22 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.28 3i56 h LYS 114 Cb 1.99 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 3i56 h LYS 114 CO 0.24 0.47 -0.75 0.28 -0.57 0.00 0.00 179.45 179.12 3i56 h VAL 115 N 0.38 1.35 0.00 0.50 2.07 -1.40 -2.70 116.25 116.45 3i56 h VAL 115 Ca 0.08 -2.11 -0.09 0.00 0.82 0.00 0.00 66.70 65.40 3i56 h VAL 115 Cb 0.35 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3i56 h VAL 115 CO 0.02 0.64 -0.42 -0.33 0.02 0.00 0.00 177.57 177.50 3i56 h GLU 116 N 0.34 0.00 0.00 1.57 4.39 -1.47 -1.81 114.58 117.60 3i56 h GLU 116 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3i56 h GLU 116 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3i56 h GLU 116 CO 0.14 0.42 0.00 0.39 -1.16 0.00 0.00 179.01 178.80 3i56 n GLU 117 N -4.02 0.26 -0.04 2.33 1.02 -0.99 -2.58 120.64 116.62 3i56 n GLU 117 Ca -0.02 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 3i56 n GLU 117 Cb 0.45 -1.80 0.14 0.00 -0.02 0.00 0.00 31.44 30.21 3i56 n GLU 117 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3i56 n LEU 118 N -2.26 3.02 0.00 -4.62 7.94 -0.73 -5.10 117.00 115.26 3i56 n LEU 118 Ca 0.06 -1.07 0.00 0.00 -1.11 0.00 0.00 56.01 53.88 3i56 n LEU 118 Cb 0.43 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.33 3i56 n LEU 118 CO 0.30 0.54 0.00 -1.14 -1.11 0.00 0.00 177.39 175.98