#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 h VAL 2 N 0.00 0.64 -0.02 -1.45 -1.51 -2.00 -3.14 116.25 108.77 3i55 h VAL 2 Ca 0.00 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.58 3i55 h VAL 2 Cb 0.00 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3i55 h VAL 2 CO 0.00 0.36 -0.22 0.00 -1.23 0.00 0.00 177.57 176.48 3i55 n TYR 3 N -3.19 0.00 -3.58 5.19 0.18 -1.26 -4.87 117.16 109.62 3i55 n TYR 3 Ca 0.02 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.44 3i55 n TYR 3 Cb 0.68 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.56 3i55 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3i55 s VAL 4 N -2.25 5.31 -0.03 -3.48 1.01 -1.19 -4.87 120.40 114.91 3i55 s VAL 4 Ca 0.25 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.77 3i55 s VAL 4 Cb 0.19 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 33.03 3i55 s VAL 4 CO 0.44 0.43 0.93 0.47 0.00 0.00 0.00 175.10 177.37 3i55 n ASP 5 N 3.31 1.50 -3.65 3.32 8.00 -1.26 -4.80 116.55 122.97 3i55 n ASP 5 Ca -0.13 -2.04 -0.04 0.00 0.71 0.00 0.00 54.79 53.29 3i55 n ASP 5 Cb 0.52 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 3i55 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3i55 s PHE 6 N -1.12 -0.17 -0.10 1.24 -0.12 -1.26 -5.12 117.98 111.32 3i55 s PHE 6 Ca 0.07 0.41 -0.18 0.00 -0.05 0.00 0.00 56.93 57.19 3i55 s PHE 6 Cb 0.06 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 3i55 s PHE 6 CO 0.01 -0.08 0.47 0.34 -0.05 0.00 0.00 175.22 175.90 3i55 s ASP 7 N 0.18 6.70 -0.38 1.98 2.15 -1.26 -4.96 116.67 121.08 3i55 s ASP 7 Ca 0.05 0.84 -0.20 0.00 0.43 0.00 0.00 52.55 53.66 3i55 s ASP 7 Cb -0.05 -2.28 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 3i55 s ASP 7 CO -0.13 0.04 0.62 -0.69 -0.17 0.00 0.00 175.17 174.84 3i55 s VAL 8 N 0.40 4.89 0.11 1.11 1.01 -1.26 -5.02 120.40 121.63 3i55 s VAL 8 Ca 0.26 0.37 -0.35 0.00 0.00 0.00 0.00 61.98 62.26 3i55 s VAL 8 Cb -0.15 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 3i55 s VAL 8 CO 0.11 -0.40 1.06 -2.65 0.00 0.00 0.00 175.10 173.22 3i55 n PRO 9 N 6.08 0.62 -0.31 2.72 -0.02 -1.26 -4.60 135.00 138.22 3i55 n PRO 9 Ca -0.02 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.78 3i55 n PRO 9 Cb 0.48 -1.67 0.21 0.00 -0.02 0.00 0.00 33.50 32.50 3i55 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i55 n ALA 10 N 1.43 0.36 0.30 3.55 0.00 -1.26 -0.31 120.51 124.58 3i55 n ALA 10 Ca 0.18 0.96 -0.17 0.00 0.00 0.00 0.00 53.44 54.41 3i55 n ALA 10 Cb 0.18 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 3i55 n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i55 h ASP 11 N 0.00 -0.75 -0.53 0.00 3.32 -2.00 -1.89 116.42 114.57 3i55 h ASP 11 Ca 0.49 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.69 3i55 h ASP 11 Cb 0.93 0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 3i55 h ASP 11 CO -0.87 -0.49 -0.05 0.25 -1.72 0.00 0.00 179.24 176.36 3i55 h LEU 12 N -0.78 -0.33 -0.08 1.55 6.46 -1.00 -0.99 115.31 120.14 3i55 h LEU 12 Ca -0.06 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 3i55 h LEU 12 Cb 0.63 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 3i55 h LEU 12 CO 0.08 -0.12 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.53 3i55 h GLU 13 N 0.07 -0.22 -0.70 1.25 4.81 -1.15 -1.32 114.58 117.32 3i55 h GLU 13 Ca 0.26 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.61 3i55 h GLU 13 Cb 0.41 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.72 3i55 h GLU 13 CO -0.48 -0.15 -0.41 -0.44 -0.73 0.00 0.00 179.01 176.80 3i55 h ASP 14 N -0.23 -1.45 -0.29 1.04 3.32 -0.36 0.13 116.42 118.58 3i55 h ASP 14 Ca 0.08 0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.46 3i55 h ASP 14 Cb 0.34 0.69 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 3i55 h ASP 14 CO -0.22 -0.31 -0.18 0.44 -1.72 0.00 0.00 179.24 177.25 3i55 h ASP 15 N -0.15 -0.60 -0.49 6.45 3.32 -0.82 0.24 116.42 124.37 3i55 h ASP 15 Ca 0.23 0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.49 3i55 h ASP 15 Cb 0.56 0.31 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 3i55 h ASP 15 CO -0.77 -0.22 0.03 0.00 -1.72 0.00 0.00 179.24 176.56 3i55 h ALA 16 N 1.02 0.49 -0.40 3.45 0.00 0.27 0.18 119.26 124.27 3i55 h ALA 16 Ca 0.15 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3i55 h ALA 16 Cb 0.39 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i55 h ALA 16 CO -0.38 -0.37 -0.24 -0.07 0.00 0.00 0.00 179.25 178.19 3i55 h LEU 17 N 0.15 0.83 0.50 0.00 3.38 -0.19 -1.49 115.31 118.49 3i55 h LEU 17 Ca 0.25 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3i55 h LEU 17 Cb 0.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3i55 h LEU 17 CO -0.38 1.03 -0.33 -0.33 0.09 0.00 0.00 178.44 178.52 3i55 h GLU 18 N 0.70 -0.77 -0.79 1.13 5.08 0.44 -2.13 114.58 118.25 3i55 h GLU 18 Ca 0.09 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.67 3i55 h GLU 18 Cb 0.77 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 3i55 h GLU 18 CO 0.06 -0.51 0.53 0.00 -1.00 0.00 0.00 179.01 178.09 3i55 h ALA 19 N -0.37 2.19 -0.51 3.43 0.00 -0.57 -1.68 119.26 121.76 3i55 h ALA 19 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3i55 h ALA 19 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3i55 h ALA 19 CO 0.05 -0.42 0.03 1.25 0.00 0.00 0.00 179.25 180.16 3i55 h LEU 20 N 0.37 0.85 -1.23 0.00 5.85 -0.63 -0.71 115.31 119.81 3i55 h LEU 20 Ca 0.39 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3i55 h LEU 20 Cb 0.98 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3i55 h LEU 20 CO -0.12 0.93 0.33 -0.33 -0.34 0.00 0.00 178.44 178.91 3i55 h GLU 21 N 0.74 0.86 0.00 1.25 5.08 -0.81 -0.17 114.58 121.53 3i55 h GLU 21 Ca 0.15 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3i55 h GLU 21 Cb 0.47 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3i55 h GLU 21 CO 0.02 0.64 -0.12 -0.39 -1.00 0.00 0.00 179.01 178.17 3i55 h VAL 22 N 0.87 0.04 -0.54 3.13 -1.51 -1.44 -2.86 116.25 113.94 3i55 h VAL 22 Ca 0.22 -1.06 -0.06 0.00 -1.23 0.00 0.00 66.70 64.57 3i55 h VAL 22 Cb 0.04 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 3i55 h VAL 22 CO -0.04 0.02 0.09 0.00 -1.23 0.00 0.00 177.57 176.42 3i55 h ALA 23 N 1.97 0.72 -0.21 5.19 0.00 0.52 -1.08 119.26 126.37 3i55 h ALA 23 Ca -0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3i55 h ALA 23 Cb 1.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i55 h ALA 23 CO 0.00 0.46 -0.62 0.07 0.00 0.00 0.00 179.25 179.17 3i55 h ARG 24 N 0.79 0.72 -0.80 0.00 0.11 -1.32 -1.66 114.38 112.21 3i55 h ARG 24 Ca 0.16 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.75 3i55 h ARG 24 Cb 0.41 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.56 3i55 h ARG 24 CO 0.01 1.12 0.00 -0.25 0.10 0.00 0.00 179.97 180.95 3i55 n ASP 25 N -3.96 2.18 0.00 0.08 8.00 -1.03 -4.54 116.55 117.29 3i55 n ASP 25 Ca -0.05 -2.23 0.00 0.00 0.71 0.00 0.00 54.79 53.22 3i55 n ASP 25 Cb 0.66 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3i55 n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i55 n THR 26 N 0.17 0.00 0.00 -3.53 -1.04 -0.44 -4.99 114.28 104.44 3i55 n THR 26 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3i55 n THR 26 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 3i55 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i55 n GLY 27 N 0.40 0.94 3.31 3.41 0.00 -0.65 -4.91 105.19 107.69 3i55 n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i55 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 s ALA 28 N -3.99 -0.93 0.05 4.61 0.00 -0.88 -4.77 121.76 115.86 3i55 s ALA 28 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 3i55 s ALA 28 Cb 0.00 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.63 3i55 s ALA 28 CO 0.00 -0.54 0.23 0.14 0.00 0.00 0.00 175.76 175.60 3i55 s VAL 29 N -3.11 0.11 -0.13 0.00 -7.23 -1.26 -0.54 120.40 108.24 3i55 s VAL 29 Ca -0.01 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 3i55 s VAL 29 Cb 0.01 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3i55 s VAL 29 CO -0.07 -0.48 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.66 3i55 s LYS 30 N -2.86 3.39 -0.29 4.82 -0.14 0.37 -4.83 119.74 120.20 3i55 s LYS 30 Ca -0.03 -0.50 -0.00 0.00 -1.36 0.00 0.00 55.97 54.08 3i55 s LYS 30 Cb 0.00 -2.84 0.05 0.00 -1.68 0.00 0.00 37.83 33.36 3i55 s LYS 30 CO -0.05 0.40 -0.02 0.15 -0.76 0.00 0.00 175.35 175.06 3i55 s LYS 31 N -0.08 2.36 0.00 1.68 1.02 -1.26 0.17 119.74 123.63 3i55 s LYS 31 Ca 0.02 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.71 3i55 s LYS 31 Cb -0.13 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 3i55 s LYS 31 CO 0.02 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 3i55 n GLY 32 N 4.57 4.22 0.34 -3.33 0.00 -0.08 -4.75 105.19 106.15 3i55 n GLY 32 Ca -0.13 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 44.67 3i55 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i55 h THR 33 N 0.48 1.03 0.15 2.61 2.02 -1.93 0.22 112.91 117.48 3i55 h THR 33 Ca 0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3i55 h THR 33 Cb 0.00 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3i55 h THR 33 CO 0.00 0.11 -0.07 -1.13 0.37 0.00 0.00 175.52 174.80 3i55 h ASN 34 N 0.63 -0.17 -0.64 4.18 -1.24 -1.91 -2.31 115.58 114.12 3i55 h ASN 34 Ca 0.25 -0.37 0.06 0.00 0.71 0.00 0.00 56.30 56.95 3i55 h ASN 34 Cb 0.21 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 3i55 h ASN 34 CO -0.07 0.38 0.34 -0.33 -1.29 0.00 0.00 177.43 176.46 3i55 h GLU 35 N -0.83 0.61 -0.65 6.67 5.08 -1.81 -1.07 114.58 122.59 3i55 h GLU 35 Ca -0.02 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3i55 h GLU 35 Cb 0.53 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3i55 h GLU 35 CO 0.03 0.41 0.32 1.15 -1.00 0.00 0.00 179.01 179.92 3i55 h THR 36 N 0.63 0.88 0.34 1.13 2.02 -1.01 -2.70 112.91 114.20 3i55 h THR 36 Ca 0.29 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3i55 h THR 36 Cb 0.19 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3i55 h THR 36 CO -0.19 0.10 -0.33 0.74 0.37 0.00 0.00 175.52 176.22 3i55 h THR 37 N 0.57 0.00 -0.76 3.16 2.02 -0.61 -2.46 112.91 114.84 3i55 h THR 37 Ca 0.31 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.66 3i55 h THR 37 Cb 0.28 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.58 3i55 h THR 37 CO -0.24 0.00 0.19 0.11 0.37 0.00 0.00 175.52 175.95 3i55 h LYS 38 N -0.66 0.26 -0.94 6.66 1.57 -1.39 0.13 116.57 122.19 3i55 h LYS 38 Ca -0.04 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.86 3i55 h LYS 38 Cb 0.57 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3i55 h LYS 38 CO -0.03 0.17 0.56 0.77 -0.57 0.00 0.00 179.45 180.35 3i55 h SER 39 N 0.27 0.76 0.36 0.86 0.02 -1.28 0.77 113.55 115.31 3i55 h SER 39 Ca 0.43 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.35 3i55 h SER 39 Cb 0.76 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3i55 h SER 39 CO -0.53 0.35 -0.45 0.40 -1.14 0.00 0.00 176.83 175.47 3i55 h ILE 40 N 0.82 1.33 0.06 3.27 2.04 -0.30 0.97 117.51 125.70 3i55 h ILE 40 Ca 0.50 -1.58 -0.24 0.00 1.00 0.00 0.00 64.86 64.54 3i55 h ILE 40 Cb 0.62 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3i55 h ILE 40 CO -0.32 0.46 -1.08 -0.33 0.00 0.00 0.00 178.15 176.88 3i55 h GLU 41 N 0.09 0.24 0.00 2.37 5.08 0.24 -3.09 114.58 119.51 3i55 h GLU 41 Ca 0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3i55 h GLU 41 Cb 0.83 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3i55 h GLU 41 CO 0.06 1.11 -0.16 0.54 -1.00 0.00 0.00 179.01 179.57 3i55 n ARG 42 N -3.57 0.21 0.00 2.33 1.74 0.23 -4.91 116.66 112.68 3i55 n ARG 42 Ca -0.06 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3i55 n ARG 42 Cb 0.93 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3i55 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 43 N 1.36 2.62 1.26 -0.13 0.00 0.26 -4.89 105.19 105.68 3i55 n GLY 43 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i55 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i55 n SER 44 N 0.00 2.04 -4.20 1.61 3.41 -0.74 -4.68 113.62 111.06 3i55 n SER 44 Ca 0.00 -1.31 -0.29 0.00 -0.26 0.00 0.00 58.87 57.01 3i55 n SER 44 Cb 0.00 -0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 63.40 3i55 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i55 s ALA 45 N 0.63 1.92 -0.12 7.33 0.00 -1.20 -4.44 121.76 125.88 3i55 s ALA 45 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 3i55 s ALA 45 Cb 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 3i55 s ALA 45 CO 0.00 0.33 -0.11 0.39 0.00 0.00 0.00 175.76 176.37 3i55 n GLU 46 N 3.17 0.29 -3.66 0.00 1.02 -1.16 -4.85 120.64 115.44 3i55 n GLU 46 Ca -0.18 0.07 -0.15 0.00 -0.02 0.00 0.00 57.16 56.88 3i55 n GLU 46 Cb 0.52 -1.20 -0.15 0.00 -0.02 0.00 0.00 31.44 30.60 3i55 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i55 s LEU 47 N -5.82 -0.18 -0.06 -4.62 2.96 -1.24 -3.94 118.68 105.78 3i55 s LEU 47 Ca -0.16 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3i55 s LEU 47 Cb 0.04 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 3i55 s LEU 47 CO 0.27 -0.24 0.01 0.68 -1.32 0.00 0.00 176.35 175.74 3i55 s VAL 48 N 2.35 4.30 -0.13 1.68 -7.23 -0.94 0.39 120.40 120.82 3i55 s VAL 48 Ca 0.02 -0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 3i55 s VAL 48 Cb -0.12 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 3i55 s VAL 48 CO -0.07 0.55 0.01 -0.36 -0.31 0.00 0.00 175.10 174.92 3i55 s PHE 49 N -0.94 3.16 -0.10 2.82 0.40 0.33 -1.46 117.98 122.20 3i55 s PHE 49 Ca 0.15 0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 3i55 s PHE 49 Cb -0.11 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.54 3i55 s PHE 49 CO 0.04 0.26 -0.01 0.08 0.70 0.00 0.00 175.22 176.29 3i55 s VAL 50 N -0.24 0.57 0.55 -0.44 1.01 -0.91 -0.74 120.40 120.21 3i55 s VAL 50 Ca 0.06 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 3i55 s VAL 50 Cb -0.12 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3i55 s VAL 50 CO 0.02 0.22 1.14 0.00 0.00 0.00 0.00 175.10 176.48 3i55 s ALA 51 N 1.89 2.67 -0.12 5.51 0.00 0.13 -1.60 121.76 130.24 3i55 s ALA 51 Ca 0.04 0.84 0.20 0.00 0.00 0.00 0.00 51.96 53.04 3i55 s ALA 51 Cb -0.13 -3.37 -0.22 0.00 0.00 0.00 0.00 23.12 19.40 3i55 s ALA 51 CO -0.06 -0.82 0.55 0.39 0.00 0.00 0.00 175.76 175.81 3i55 n GLU 52 N -1.36 0.65 -1.80 0.00 1.02 0.52 -4.42 120.64 115.25 3i55 n GLU 52 Ca 0.12 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.92 3i55 n GLU 52 Cb 0.51 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 3i55 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i55 n ASP 53 N -2.60 7.13 -4.74 1.62 5.75 -1.12 -4.34 116.55 118.25 3i55 n ASP 53 Ca -0.12 -3.35 -0.33 0.00 -0.01 0.00 0.00 54.79 50.98 3i55 n ASP 53 Cb 0.78 -1.23 -0.08 0.00 -1.03 0.00 0.00 41.12 39.56 3i55 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i55 s VAL 54 N -2.68 4.52 -0.30 2.12 1.01 -1.26 -4.69 120.40 119.12 3i55 s VAL 54 Ca 0.55 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3i55 s VAL 54 Cb 0.33 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.80 3i55 s VAL 54 CO -0.22 0.40 0.68 -1.58 0.00 0.00 0.00 175.10 174.39 3i55 s GLN 55 N -1.54 0.58 0.32 2.72 -0.44 -1.26 -4.01 119.66 116.03 3i55 s GLN 55 Ca 0.20 1.36 -0.29 0.00 -2.50 0.00 0.00 55.36 54.14 3i55 s GLN 55 Cb -0.12 0.71 -0.11 0.00 -1.64 0.00 0.00 33.01 31.86 3i55 s GLN 55 CO 0.11 -0.18 1.42 -1.25 0.50 0.00 0.00 175.29 175.88 3i55 s PRO 56 N 2.62 4.24 0.52 1.67 0.04 -1.26 -5.06 135.00 137.77 3i55 s PRO 56 Ca -0.07 2.38 0.35 0.00 0.04 0.00 0.00 61.00 63.70 3i55 s PRO 56 Cb -0.10 -3.04 1.79 0.00 0.04 0.00 0.00 34.50 33.18 3i55 s PRO 56 CO -0.19 -0.39 2.06 0.93 0.04 0.00 0.00 177.00 179.45 3i55 h GLU 57 N 3.76 0.00 -0.24 4.56 5.08 -2.02 -3.11 114.58 122.62 3i55 h GLU 57 Ca -0.49 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 3i55 h GLU 57 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3i55 h GLU 57 CO 0.69 0.00 -0.27 0.93 -1.00 0.00 0.00 179.01 179.36 3i55 h GLU 58 N 0.00 -0.16 -0.21 2.33 3.07 -1.97 -1.50 114.58 116.15 3i55 h GLU 58 Ca 0.00 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 3i55 h GLU 58 Cb 0.12 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 3i55 h GLU 58 CO 0.00 -0.10 0.03 -0.89 -1.40 0.00 0.00 179.01 176.64 3i55 n ILE 59 N -4.01 -0.09 -0.03 3.13 5.41 -1.18 -1.49 119.36 121.12 3i55 n ILE 59 Ca -0.01 0.45 0.00 0.00 1.00 0.00 0.00 62.75 64.19 3i55 n ILE 59 Cb 0.16 -0.67 -0.08 0.00 -0.71 0.00 0.00 39.64 38.34 3i55 n ILE 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i55 n VAL 60 N -3.91 0.32 -0.09 1.39 0.31 -1.01 -4.77 118.33 110.58 3i55 n VAL 60 Ca 0.06 -0.31 0.03 0.00 -0.01 0.00 0.00 64.34 64.11 3i55 n VAL 60 Cb 0.18 -0.25 0.07 0.00 -0.91 0.00 0.00 33.84 32.93 3i55 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3i55 n MET 61 N -2.10 -0.02 -0.19 5.55 2.81 -0.55 -0.61 117.12 122.01 3i55 n MET 61 Ca -0.09 0.38 -0.08 0.00 -1.81 0.00 0.00 57.70 56.10 3i55 n MET 61 Cb 0.53 -0.59 0.02 0.00 -0.71 0.00 0.00 33.22 32.47 3i55 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 3i55 h HIS 62 N 0.00 0.90 -0.75 2.03 2.07 -1.86 -3.35 115.15 114.19 3i55 h HIS 62 Ca 0.14 -0.10 0.07 0.00 -2.85 0.00 0.00 60.37 57.64 3i55 h HIS 62 Cb 0.28 -0.26 -0.09 0.00 2.57 0.00 0.00 27.41 29.91 3i55 h HIS 62 CO -0.14 0.78 -0.42 -0.89 -3.07 0.00 0.00 177.93 174.18 3i55 n ILE 63 N -4.43 -0.50 -0.34 6.12 2.08 0.22 -1.17 119.36 121.35 3i55 n ILE 63 Ca 0.02 1.81 0.18 0.00 0.56 0.00 0.00 62.75 65.33 3i55 n ILE 63 Cb 0.22 -2.26 0.40 0.00 -0.75 0.00 0.00 39.64 37.25 3i55 n ILE 63 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3i55 h PRO 64 N 0.00 0.56 0.00 0.38 0.11 -1.77 -0.65 132.00 130.62 3i55 h PRO 64 Ca 0.14 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 66.01 3i55 h PRO 64 Cb 0.33 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 3i55 h PRO 64 CO -0.71 0.37 -1.43 1.49 -0.21 0.00 0.00 178.00 177.50 3i55 h GLU 65 N 0.57 0.00 -0.12 1.05 4.81 -1.37 -3.26 114.58 116.26 3i55 h GLU 65 Ca 0.62 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.66 3i55 h GLU 65 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3i55 h GLU 65 CO -0.41 0.41 -0.69 1.25 -0.73 0.00 0.00 179.01 178.84 3i55 h LEU 66 N 0.00 0.59 -0.88 1.64 5.85 -0.57 -2.88 115.31 119.06 3i55 h LEU 66 Ca -0.19 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 3i55 h LEU 66 Cb 1.73 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3i55 h LEU 66 CO 0.06 1.11 -0.34 0.00 -0.34 0.00 0.00 178.44 178.93 3i55 h ALA 67 N 0.89 0.97 0.00 1.25 0.00 -1.29 -2.98 119.26 118.09 3i55 h ALA 67 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3i55 h ALA 67 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3i55 h ALA 67 CO 0.13 0.43 -0.47 -0.44 0.00 0.00 0.00 179.25 178.90 3i55 h ASP 68 N 0.00 0.00 -0.70 0.00 5.19 -1.56 -1.31 116.42 118.03 3i55 h ASP 68 Ca -0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.09 3i55 h ASP 68 Cb 0.91 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.23 3i55 h ASP 68 CO 0.04 0.47 0.31 -1.84 -3.12 0.00 0.00 179.24 175.10 3i55 n GLU 69 N -3.32 2.55 -0.22 3.56 0.28 -1.10 -3.80 120.64 118.58 3i55 n GLU 69 Ca 0.01 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.94 3i55 n GLU 69 Cb 0.66 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.46 3i55 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3i55 n LYS 70 N -0.86 0.00 0.00 3.44 4.76 -1.12 -5.02 118.16 119.36 3i55 n LYS 70 Ca 0.45 -0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3i55 n LYS 70 Cb 1.38 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 34.33 3i55 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i55 n GLY 71 N 0.00 0.06 3.43 0.72 0.00 -0.54 -4.88 105.19 103.98 3i55 n GLY 71 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.42 3i55 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i55 n VAL 72 N 0.00 0.00 -2.71 1.61 0.31 -0.94 -4.85 118.33 111.75 3i55 n VAL 72 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3i55 n VAL 72 Cb 0.00 -0.23 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 3i55 n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i55 s PRO 73 N 1.35 4.15 0.05 5.55 0.02 -1.25 -4.45 135.00 140.41 3i55 s PRO 73 Ca 0.93 1.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 3i55 s PRO 73 Cb -1.31 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 3i55 s PRO 73 CO 0.65 -0.12 -0.03 -0.59 -0.33 0.00 0.00 177.00 176.59 3i55 s PHE 74 N -2.00 0.52 0.00 6.54 -0.12 -1.26 -2.22 117.98 119.45 3i55 s PHE 74 Ca 0.62 -1.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.46 3i55 s PHE 74 Cb -0.14 -0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 41.87 3i55 s PHE 74 CO 0.18 -0.35 0.02 -1.50 -0.05 0.00 0.00 175.22 173.51 3i55 s ILE 75 N -3.72 0.04 0.34 -4.49 2.07 -0.53 -4.95 121.20 109.95 3i55 s ILE 75 Ca 0.06 -0.37 -0.12 0.00 -1.41 0.00 0.00 60.65 58.81 3i55 s ILE 75 Cb 0.07 -0.16 -0.08 0.00 0.13 0.00 0.00 42.46 42.42 3i55 s ILE 75 CO -0.09 -0.20 0.71 -0.36 -1.91 0.00 0.00 174.94 173.08 3i55 s PHE 76 N -0.61 3.42 -0.15 3.50 2.99 -1.26 -2.14 117.98 123.74 3i55 s PHE 76 Ca -0.07 1.07 -0.02 0.00 0.00 0.00 0.00 56.93 57.91 3i55 s PHE 76 Cb -0.04 -2.43 0.05 0.00 0.00 0.00 0.00 43.02 40.59 3i55 s PHE 76 CO -0.00 0.05 0.01 0.08 -0.00 0.00 0.00 175.22 175.36 3i55 s VAL 77 N -2.10 0.58 0.20 -0.44 1.01 -0.63 -4.87 120.40 114.15 3i55 s VAL 77 Ca 0.51 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 3i55 s VAL 77 Cb -0.10 -0.90 0.13 0.00 0.00 0.00 0.00 36.38 35.50 3i55 s VAL 77 CO 0.24 0.02 1.55 -0.33 0.00 0.00 0.00 175.10 176.57 3i55 h GLU 78 N 8.25 -0.01 -5.90 2.72 4.39 -1.93 0.15 114.58 122.25 3i55 h GLU 78 Ca -0.19 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.84 3i55 h GLU 78 Cb 1.12 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.56 3i55 h GLU 78 CO 0.32 -0.01 -0.71 -0.65 -1.16 0.00 0.00 179.01 176.81 3i55 s GLN 79 N -5.79 2.98 0.10 2.33 -0.21 -1.26 -2.78 119.66 115.03 3i55 s GLN 79 Ca -0.13 -0.58 -0.25 0.00 0.02 0.00 0.00 55.36 54.41 3i55 s GLN 79 Cb 0.17 -2.63 -0.12 0.00 1.00 0.00 0.00 33.01 31.44 3i55 s GLN 79 CO 0.68 0.52 1.68 0.37 -2.12 0.00 0.00 175.29 176.42 3i55 h GLN 80 N 5.74 -0.30 0.00 2.91 4.15 -1.84 -3.10 115.11 122.67 3i55 h GLN 80 Ca -0.42 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.02 3i55 h GLN 80 Cb 1.18 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3i55 h GLN 80 CO 0.54 -0.20 0.00 -0.44 -1.93 0.00 0.00 178.83 176.81 3i55 h ASP 81 N -0.31 0.00 -0.10 -0.69 3.32 -1.90 -2.77 116.42 113.97 3i55 h ASP 81 Ca 0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.88 3i55 h ASP 81 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3i55 h ASP 81 CO -0.05 0.00 -0.65 0.44 -1.72 0.00 0.00 179.24 177.26 3i55 h ASP 82 N 0.00 0.75 -0.77 6.45 3.32 -1.88 -1.50 116.42 122.79 3i55 h ASP 82 Ca 0.00 -0.66 -0.03 0.00 0.02 0.00 0.00 57.03 56.37 3i55 h ASP 82 Cb 0.39 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3i55 h ASP 82 CO 0.00 1.29 0.38 0.25 -1.72 0.00 0.00 179.24 179.44 3i55 h LEU 83 N 0.27 1.01 -0.15 1.55 5.85 -1.55 0.86 115.31 123.15 3i55 h LEU 83 Ca -0.05 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3i55 h LEU 83 Cb 1.30 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3i55 h LEU 83 CO 0.13 0.85 0.07 1.23 -0.34 0.00 0.00 178.44 180.39 3i55 h GLY 84 N 1.14 0.23 1.90 3.75 0.00 -1.38 -0.24 103.07 108.48 3i55 h GLY 84 Ca 0.27 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 3i55 h GLY 84 CO -0.03 0.10 -0.49 0.84 0.00 0.00 0.00 176.54 176.96 3i55 h HIS 85 N 0.12 0.12 0.00 5.60 -0.00 -0.76 -0.58 115.15 119.66 3i55 h HIS 85 Ca 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3i55 h HIS 85 Cb 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3i55 h HIS 85 CO -0.03 0.58 0.00 0.00 -0.00 0.00 0.00 177.93 178.48 3i55 h ALA 86 N 1.42 1.00 -0.40 5.26 0.00 0.12 -0.89 119.26 125.77 3i55 h ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i55 h ALA 86 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i55 h ALA 86 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3i55 n ALA 87 N -1.93 2.38 -2.46 0.00 0.00 -0.14 -3.36 120.51 115.00 3i55 n ALA 87 Ca 0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 53.44 52.39 3i55 n ALA 87 Cb 0.29 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.01 3i55 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 88 N 1.28 -0.59 2.97 0.00 0.00 -0.34 -5.02 105.19 103.49 3i55 n GLY 88 Ca 0.18 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 3i55 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i55 s LEU 89 N -3.75 1.87 0.17 0.99 1.43 -0.27 -4.98 118.68 114.13 3i55 s LEU 89 Ca 0.13 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 3i55 s LEU 89 Cb -0.02 0.23 0.07 0.00 0.03 0.00 0.00 46.19 46.50 3i55 s LEU 89 CO 0.44 -0.14 1.74 -0.33 0.23 0.00 0.00 176.35 178.29 3i55 h GLU 90 N 5.48 0.84 -4.77 1.70 5.08 -1.97 -3.34 114.58 117.59 3i55 h GLU 90 Ca -0.27 -0.14 -0.68 0.00 -1.00 0.00 0.00 59.36 57.27 3i55 h GLU 90 Cb 1.21 -0.14 -0.28 0.00 0.50 0.00 0.00 28.75 30.03 3i55 h GLU 90 CO 0.45 0.70 -0.63 0.08 -1.00 0.00 0.00 179.01 178.61 3i55 s VAL 91 N -5.63 3.75 0.58 3.13 1.01 -1.26 -4.94 120.40 117.03 3i55 s VAL 91 Ca -0.13 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 3i55 s VAL 91 Cb 0.13 -3.01 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 3i55 s VAL 91 CO 0.78 -0.01 -0.39 0.61 0.00 0.00 0.00 175.10 176.09 3i55 n GLY 92 N 4.82 -2.91 3.31 4.51 0.00 -1.26 -4.85 105.19 108.81 3i55 n GLY 92 Ca -0.14 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3i55 n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i55 s SER 93 N -0.70 2.75 0.14 1.61 0.15 -1.14 -4.79 113.70 111.72 3i55 s SER 93 Ca 0.32 -0.70 0.12 0.00 0.70 0.00 0.00 55.95 56.39 3i55 s SER 93 Cb -0.21 -0.16 -0.11 0.00 -1.71 0.00 0.00 66.02 63.84 3i55 s SER 93 CO 0.54 0.09 1.18 0.00 1.20 0.00 0.00 173.24 176.26 3i55 h ALA 94 N 4.03 0.57 -2.22 5.45 0.00 -1.95 -3.37 119.26 121.77 3i55 h ALA 94 Ca -0.47 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 53.57 3i55 h ALA 94 Cb 1.18 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 3i55 h ALA 94 CO 0.39 1.02 0.01 0.00 0.00 0.00 0.00 179.25 180.67 3i55 s ALA 95 N -2.82 -1.57 0.28 0.00 0.00 -1.26 0.21 121.76 116.60 3i55 s ALA 95 Ca 0.01 1.84 0.04 0.00 0.00 0.00 0.00 51.96 53.85 3i55 s ALA 95 Cb 0.09 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 3i55 s ALA 95 CO 0.79 -0.31 0.01 0.00 0.00 0.00 0.00 175.76 176.26 3i55 s ALA 96 N 0.54 2.15 -0.04 0.00 0.00 0.08 -0.90 121.76 123.59 3i55 s ALA 96 Ca -0.02 -1.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.00 3i55 s ALA 96 Cb -0.05 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3i55 s ALA 96 CO -0.02 -0.23 0.10 0.00 0.00 0.00 0.00 175.76 175.60 3i55 s ALA 97 N -3.28 -0.19 -0.97 0.00 0.00 0.13 0.12 121.76 117.57 3i55 s ALA 97 Ca 0.32 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.50 3i55 s ALA 97 Cb 0.06 -0.25 0.16 0.00 0.00 0.00 0.00 23.12 23.09 3i55 s ALA 97 CO 0.12 -0.08 1.11 0.08 0.00 0.00 0.00 175.76 176.99 3i55 s VAL 98 N 0.51 5.00 -0.79 0.00 1.01 0.16 0.14 120.40 126.43 3i55 s VAL 98 Ca -0.04 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 59.68 3i55 s VAL 98 Cb -0.05 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.60 3i55 s VAL 98 CO -0.02 -1.42 1.58 0.28 0.00 0.00 0.00 175.10 175.51 3i55 s THR 99 N 1.85 3.62 -0.18 3.92 -1.32 0.30 -2.97 115.64 120.86 3i55 s THR 99 Ca 0.32 -0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.70 3i55 s THR 99 Cb -0.06 -4.54 0.03 0.00 -1.51 0.00 0.00 72.50 66.42 3i55 s THR 99 CO -0.08 -1.48 0.15 0.47 -2.21 0.00 0.00 174.62 171.48 3i55 n ASP 100 N 10.91 -3.34 -0.19 8.08 9.92 -1.26 -2.91 116.55 137.75 3i55 n ASP 100 Ca 0.20 1.27 0.00 0.00 -0.53 0.00 0.00 54.79 55.72 3i55 n ASP 100 Cb 0.50 -4.55 0.00 0.00 -0.64 0.00 0.00 41.12 36.43 3i55 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i55 n ALA 101 N 1.61 0.00 0.00 2.24 0.00 -1.26 -2.07 120.51 121.03 3i55 n ALA 101 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3i55 n ALA 101 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3i55 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 102 N 0.00 1.74 3.51 0.00 0.00 -1.26 -2.75 105.19 106.44 3i55 n GLY 102 Ca 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 3i55 n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i55 n GLU 103 N 0.00 -4.62 0.00 1.61 1.02 -1.26 -4.40 120.64 112.99 3i55 n GLU 103 Ca 0.00 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3i55 n GLU 103 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 25.98 3i55 n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i55 n ALA 104 N -4.01 0.00 -0.43 0.62 0.00 -1.26 -4.91 120.51 110.52 3i55 n ALA 104 Ca -0.01 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.83 3i55 n ALA 104 Cb 0.55 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.77 3i55 n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i55 h ASP 105 N 0.00 0.00 0.03 0.00 3.32 -1.94 0.51 116.42 118.35 3i55 h ASP 105 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i55 h ASP 105 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i55 h ASP 105 CO 0.00 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.51 3i55 h ALA 106 N 1.27 -0.04 0.72 3.45 0.00 -1.98 -1.98 119.26 120.70 3i55 h ALA 106 Ca 0.67 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 3i55 h ALA 106 Cb 2.71 0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.52 3i55 h ALA 106 CO -0.01 -0.32 -0.34 -0.44 0.00 0.00 0.00 179.25 178.14 3i55 h ASP 107 N -0.45 -0.82 -0.95 0.00 3.32 -0.46 -2.76 116.42 114.31 3i55 h ASP 107 Ca -0.00 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.20 3i55 h ASP 107 Cb 0.42 0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 3i55 h ASP 107 CO 0.01 -0.52 -0.44 0.52 -1.72 0.00 0.00 179.24 177.09 3i55 n VAL 108 N -4.96 -0.55 -0.37 -1.35 0.31 -0.04 0.33 118.33 111.70 3i55 n VAL 108 Ca -0.12 2.24 -0.07 0.00 -0.01 0.00 0.00 64.34 66.39 3i55 n VAL 108 Cb 0.38 -2.89 -0.04 0.00 -0.91 0.00 0.00 33.84 30.38 3i55 n VAL 108 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i55 h GLU 109 N 0.00 -0.04 -0.35 5.55 4.81 -1.27 0.27 114.58 123.54 3i55 h GLU 109 Ca 0.26 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3i55 h GLU 109 Cb 0.50 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3i55 h GLU 109 CO -0.92 -0.03 -0.01 -0.44 -0.73 0.00 0.00 179.01 176.89 3i55 h ASP 110 N -0.04 0.61 -0.26 1.04 3.32 0.18 -1.93 116.42 119.33 3i55 h ASP 110 Ca 0.23 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.02 3i55 h ASP 110 Cb 0.51 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3i55 h ASP 110 CO -0.92 0.78 0.01 0.40 -1.72 0.00 0.00 179.24 177.78 3i55 h ILE 111 N 0.43 0.82 -0.78 0.35 2.04 0.75 3.25 117.51 124.37 3i55 h ILE 111 Ca 0.10 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3i55 h ILE 111 Cb 0.46 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3i55 h ILE 111 CO 0.02 0.02 0.51 0.00 0.00 0.00 0.00 178.15 178.70 3i55 h ALA 112 N 1.22 1.76 -0.02 1.87 0.00 -0.45 -0.72 119.26 122.93 3i55 h ALA 112 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i55 h ALA 112 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i55 h ALA 112 CO -0.21 0.08 -0.06 -0.44 0.00 0.00 0.00 179.25 178.62 3i55 h ASP 113 N 0.73 0.08 -0.86 0.00 3.32 0.31 -2.86 116.42 117.13 3i55 h ASP 113 Ca 0.36 -0.64 0.23 0.00 0.02 0.00 0.00 57.03 56.99 3i55 h ASP 113 Cb 0.43 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3i55 h ASP 113 CO -0.13 0.71 0.60 0.11 -1.72 0.00 0.00 179.24 178.80 3i55 h LYS 114 N -0.55 0.15 0.21 3.56 1.57 0.69 -0.83 116.57 121.38 3i55 h LYS 114 Ca -0.00 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 3i55 h LYS 114 Cb 0.71 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.02 3i55 h LYS 114 CO 0.01 0.10 -1.25 0.28 -0.57 0.00 0.00 179.45 178.02 3i55 h VAL 115 N 0.15 1.36 -0.96 0.50 2.07 -1.20 -2.38 116.25 115.78 3i55 h VAL 115 Ca 0.43 -2.63 0.12 0.00 0.82 0.00 0.00 66.70 65.44 3i55 h VAL 115 Cb 1.44 3.07 -0.08 0.00 -1.52 0.00 0.00 31.29 34.20 3i55 h VAL 115 CO -0.07 0.78 0.61 -0.33 0.02 0.00 0.00 177.57 178.57 3i55 h GLU 116 N -0.01 0.88 0.00 1.57 4.39 -0.96 1.16 114.58 121.61 3i55 h GLU 116 Ca -0.22 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 3i55 h GLU 116 Cb 1.98 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 3i55 h GLU 116 CO 0.24 0.58 -0.19 0.93 -1.16 0.00 0.00 179.01 179.41 3i55 h GLU 117 N 0.90 0.00 -0.05 2.33 5.08 -1.29 -2.10 114.58 119.45 3i55 h GLU 117 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3i55 h GLU 117 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3i55 h GLU 117 CO -0.24 0.19 0.00 -0.11 -1.00 0.00 0.00 179.01 177.84 3i55 n LEU 118 N -3.29 0.71 0.00 1.33 7.94 0.39 -5.10 117.00 118.98 3i55 n LEU 118 Ca 0.01 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 3i55 n LEU 118 Cb 0.44 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.36 3i55 n LEU 118 CO 0.33 0.14 0.00 -1.14 -1.11 0.00 0.00 177.39 175.61