#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 h VAL 2 N 0.00 1.38 -0.12 -1.45 -1.51 -2.00 -3.13 116.25 109.42 1s72 h VAL 2 Ca 0.00 -2.73 0.00 0.00 -1.23 0.00 0.00 66.70 62.74 1s72 h VAL 2 Cb 0.00 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1s72 h VAL 2 CO 0.00 0.74 0.00 0.00 -1.23 0.00 0.00 177.57 177.08 1s72 n TYR 3 N -3.41 0.13 -3.62 5.19 0.18 -1.26 -4.83 117.16 109.54 1s72 n TYR 3 Ca 0.00 -0.07 -0.39 0.00 1.88 0.00 0.00 57.90 59.33 1s72 n TYR 3 Cb 0.79 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.64 1s72 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1s72 s VAL 4 N -1.87 4.77 -1.35 -3.48 1.01 -1.18 -4.86 120.40 113.44 1s72 s VAL 4 Ca 0.32 -0.39 0.13 0.00 0.00 0.00 0.00 61.98 62.04 1s72 s VAL 4 Cb 0.21 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1s72 s VAL 4 CO 0.31 0.03 0.80 0.47 0.00 0.00 0.00 175.10 176.71 1s72 n ASP 5 N 5.01 1.67 -3.73 3.32 8.00 -1.26 -4.73 116.55 124.83 1s72 n ASP 5 Ca -0.13 -1.34 -0.14 0.00 0.71 0.00 0.00 54.79 53.89 1s72 n ASP 5 Cb 0.49 0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 41.78 1s72 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1s72 s PHE 6 N -1.38 -0.29 -0.18 1.24 -0.12 -1.26 -5.14 117.98 110.86 1s72 s PHE 6 Ca 0.12 0.55 -0.12 0.00 -0.05 0.00 0.00 56.93 57.43 1s72 s PHE 6 Cb 0.10 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 1s72 s PHE 6 CO 0.25 -0.37 0.23 0.34 -0.05 0.00 0.00 175.22 175.62 1s72 s ASP 7 N -0.94 6.35 -0.33 1.98 2.15 -1.26 -4.98 116.67 119.64 1s72 s ASP 7 Ca -0.10 0.40 -0.17 0.00 0.43 0.00 0.00 52.55 53.11 1s72 s ASP 7 Cb -0.04 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1s72 s ASP 7 CO 0.04 0.13 0.45 -0.69 -0.17 0.00 0.00 175.17 174.93 1s72 s VAL 8 N 0.42 5.09 0.40 1.11 1.01 -1.26 -5.05 120.40 122.11 1s72 s VAL 8 Ca 0.13 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 1s72 s VAL 8 Cb -0.12 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1s72 s VAL 8 CO 0.02 -0.09 1.29 -2.65 0.00 0.00 0.00 175.10 173.67 1s72 n PRO 9 N 5.56 2.03 -0.30 2.72 -0.02 -1.26 -4.76 135.00 138.97 1s72 n PRO 9 Ca -0.06 0.72 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 1s72 n PRO 9 Cb 0.49 -2.39 0.11 0.00 -0.02 0.00 0.00 33.50 31.69 1s72 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s72 h ALA 10 N 2.26 0.54 -0.86 3.55 0.00 -2.00 0.22 119.26 122.97 1s72 h ALA 10 Ca -0.48 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s72 h ALA 10 Cb 1.29 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1s72 h ALA 10 CO 0.61 -0.41 0.54 -0.44 0.00 0.00 0.00 179.25 179.54 1s72 h ASP 11 N -0.00 1.01 -0.54 0.00 3.32 -2.00 -2.16 116.42 116.04 1s72 h ASP 11 Ca 0.40 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 1s72 h ASP 11 Cb 0.62 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1s72 h ASP 11 CO -0.88 0.75 0.10 0.25 -1.72 0.00 0.00 179.24 177.74 1s72 h LEU 12 N 1.17 0.84 -1.17 1.55 6.46 -1.32 -2.41 115.31 120.43 1s72 h LEU 12 Ca 0.31 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1s72 h LEU 12 Cb -0.09 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.58 1s72 h LEU 12 CO -0.06 0.88 0.56 -0.08 -0.62 0.00 0.00 178.44 179.12 1s72 h GLU 13 N 0.77 1.11 -0.27 1.25 4.81 -0.94 -1.14 114.58 120.17 1s72 h GLU 13 Ca 0.16 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1s72 h GLU 13 Cb 0.39 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1s72 h GLU 13 CO 0.01 0.74 0.06 -0.44 -0.73 0.00 0.00 179.01 178.64 1s72 h ASP 14 N 1.14 0.43 -0.82 1.04 3.32 -1.07 -0.31 116.42 120.15 1s72 h ASP 14 Ca 0.31 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1s72 h ASP 14 Cb -0.13 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 1s72 h ASP 14 CO -0.07 0.56 0.53 0.44 -1.72 0.00 0.00 179.24 178.99 1s72 h ASP 15 N 0.27 0.90 0.42 6.45 3.32 -1.04 -0.09 116.42 126.66 1s72 h ASP 15 Ca 0.08 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1s72 h ASP 15 Cb 0.31 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1s72 h ASP 15 CO 0.00 0.63 -0.20 0.00 -1.72 0.00 0.00 179.24 177.95 1s72 h ALA 16 N 1.33 -0.56 -0.15 3.45 0.00 -0.91 -0.60 119.26 121.82 1s72 h ALA 16 Ca 0.32 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1s72 h ALA 16 Cb -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1s72 h ALA 16 CO -0.09 -0.81 0.04 -0.07 0.00 0.00 0.00 179.25 178.32 1s72 h LEU 17 N -0.59 0.04 -0.54 0.00 3.38 -0.83 -0.57 115.31 116.20 1s72 h LEU 17 Ca -0.06 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1s72 h LEU 17 Cb 0.44 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1s72 h LEU 17 CO 0.09 0.04 -0.16 -0.33 0.09 0.00 0.00 178.44 178.18 1s72 h GLU 18 N 0.11 -0.03 -0.98 1.13 5.08 -0.90 0.27 114.58 119.26 1s72 h GLU 18 Ca 0.06 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1s72 h GLU 18 Cb 0.05 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1s72 h GLU 18 CO -0.08 -0.02 0.64 0.00 -1.00 0.00 0.00 179.01 178.55 1s72 h ALA 19 N 1.47 1.43 -0.61 3.43 0.00 -0.52 -1.88 119.26 122.57 1s72 h ALA 19 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s72 h ALA 19 Cb 0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1s72 h ALA 19 CO -0.57 0.43 0.33 1.25 0.00 0.00 0.00 179.25 180.69 1s72 h LEU 20 N 1.15 0.77 -0.81 0.00 5.85 0.10 -1.46 115.31 120.90 1s72 h LEU 20 Ca 0.42 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1s72 h LEU 20 Cb 0.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1s72 h LEU 20 CO -0.16 0.65 0.45 -0.33 -0.34 0.00 0.00 178.44 178.70 1s72 h GLU 21 N 0.83 1.14 0.00 1.25 5.08 -0.28 -0.77 114.58 121.83 1s72 h GLU 21 Ca 0.21 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1s72 h GLU 21 Cb 0.05 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1s72 h GLU 21 CO -0.03 0.84 0.00 -0.39 -1.00 0.00 0.00 179.01 178.42 1s72 h VAL 22 N 1.13 0.00 0.07 3.13 -1.51 -1.20 -3.01 116.25 114.85 1s72 h VAL 22 Ca 0.29 -0.40 -0.27 0.00 -1.23 0.00 0.00 66.70 65.09 1s72 h VAL 22 Cb 0.03 1.28 0.02 0.00 -2.13 0.00 0.00 31.29 30.49 1s72 h VAL 22 CO -0.05 0.00 -1.09 0.00 -1.23 0.00 0.00 177.57 175.20 1s72 h ALA 23 N 2.32 0.04 -0.09 5.19 0.00 -0.07 0.45 119.26 127.11 1s72 h ALA 23 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 1s72 h ALA 23 Cb 0.56 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1s72 h ALA 23 CO 0.00 0.64 -0.39 0.07 0.00 0.00 0.00 179.25 179.57 1s72 h ARG 24 N 0.26 0.19 0.19 0.00 0.11 -1.25 0.37 114.38 114.24 1s72 h ARG 24 Ca -0.16 -0.08 -0.32 0.00 0.10 0.00 0.00 59.98 59.52 1s72 h ARG 24 Cb 1.77 -0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.86 1s72 h ARG 24 CO 0.21 0.55 -1.56 -0.44 0.10 0.00 0.00 179.97 178.83 1s72 h ASP 25 N 0.16 0.63 0.07 0.08 3.32 -1.56 -3.41 116.42 115.72 1s72 h ASP 25 Ca 0.02 -0.92 -0.37 0.00 0.02 0.00 0.00 57.03 55.77 1s72 h ASP 25 Cb 0.76 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1s72 h ASP 25 CO 0.06 1.72 -2.27 0.41 -1.72 0.00 0.00 179.24 177.44 1s72 n THR 26 N -3.72 1.58 -0.01 0.35 -1.04 0.15 -5.03 114.28 106.57 1s72 n THR 26 Ca -0.22 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 1s72 n THR 26 Cb 1.04 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 1s72 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s72 n GLY 27 N 2.08 4.67 3.15 3.41 0.00 0.13 -4.68 105.19 113.95 1s72 n GLY 27 Ca -0.38 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 1s72 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 28 N -2.16 1.22 0.02 4.61 0.00 -0.42 -4.55 121.76 120.47 1s72 s ALA 28 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1s72 s ALA 28 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1s72 s ALA 28 CO 0.00 0.25 -0.02 0.14 0.00 0.00 0.00 175.76 176.13 1s72 s VAL 29 N -0.76 0.09 -0.16 0.00 -7.23 -1.26 -0.15 120.40 110.93 1s72 s VAL 29 Ca 0.03 -0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1s72 s VAL 29 Cb -0.08 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1s72 s VAL 29 CO 0.01 -0.43 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.77 1s72 s LYS 30 N -1.26 3.54 -0.12 4.82 -0.14 0.21 -4.84 119.74 121.95 1s72 s LYS 30 Ca -0.14 -0.59 -0.02 0.00 -1.36 0.00 0.00 55.97 53.86 1s72 s LYS 30 Cb -0.09 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 1s72 s LYS 30 CO -0.01 0.17 -0.04 0.15 -0.76 0.00 0.00 175.35 174.86 1s72 s LYS 31 N 0.53 3.29 0.00 1.68 1.02 -1.26 -0.73 119.74 124.26 1s72 s LYS 31 Ca -0.05 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1s72 s LYS 31 Cb -0.15 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1s72 s LYS 31 CO 0.03 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1s72 n GLY 32 N 2.93 2.58 0.34 -3.33 0.00 -0.75 -4.64 105.19 102.32 1s72 n GLY 32 Ca -0.18 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1s72 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s72 h THR 33 N 0.00 1.20 -0.12 2.61 2.02 -1.93 -0.96 112.91 115.72 1s72 h THR 33 Ca 0.00 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1s72 h THR 33 Cb 0.00 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1s72 h THR 33 CO 0.00 0.21 -0.04 -1.13 0.37 0.00 0.00 175.52 174.93 1s72 h ASN 34 N 0.94 0.25 0.33 4.18 -1.24 -1.94 -0.84 115.58 117.26 1s72 h ASN 34 Ca 0.24 -0.38 -0.06 0.00 0.71 0.00 0.00 56.30 56.81 1s72 h ASN 34 Cb -0.02 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1s72 h ASN 34 CO -0.04 0.57 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.04 1s72 h GLU 35 N -0.08 0.00 0.01 6.67 5.08 -1.79 -2.58 114.58 121.89 1s72 h GLU 35 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1s72 h GLU 35 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s72 h GLU 35 CO 0.01 0.30 -0.01 1.15 -1.00 0.00 0.00 179.01 179.47 1s72 h THR 36 N 0.00 1.37 -0.79 1.13 2.02 -1.05 -2.95 112.91 112.64 1s72 h THR 36 Ca -0.00 -1.18 0.16 0.00 0.77 0.00 0.00 66.41 66.16 1s72 h THR 36 Cb 0.55 2.16 -0.10 0.00 -1.74 0.00 0.00 68.15 69.02 1s72 h THR 36 CO 0.04 0.30 0.31 0.74 0.37 0.00 0.00 175.52 177.28 1s72 h THR 37 N -0.52 0.60 0.00 3.16 2.02 -0.94 0.13 112.91 117.35 1s72 h THR 37 Ca -0.00 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1s72 h THR 37 Cb 0.51 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1s72 h THR 37 CO 0.00 0.08 -0.21 0.11 0.37 0.00 0.00 175.52 175.87 1s72 h LYS 38 N 0.42 0.00 0.29 6.66 1.57 -1.44 -1.83 116.57 122.23 1s72 h LYS 38 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1s72 h LYS 38 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1s72 h LYS 38 CO -0.45 0.21 -0.14 0.77 -0.57 0.00 0.00 179.45 179.27 1s72 h SER 39 N 0.00 -0.33 -0.94 0.86 0.02 -0.57 0.21 113.55 112.81 1s72 h SER 39 Ca -0.00 -0.15 0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1s72 h SER 39 Cb 0.43 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 1s72 h SER 39 CO 0.03 -0.03 0.60 0.40 -1.14 0.00 0.00 176.83 176.69 1s72 h ILE 40 N -0.64 0.95 -0.04 3.27 2.04 -1.21 0.53 117.51 122.41 1s72 h ILE 40 Ca -0.04 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 1s72 h ILE 40 Cb 0.46 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1s72 h ILE 40 CO 0.07 0.17 -0.89 -0.33 0.00 0.00 0.00 178.15 177.17 1s72 h GLU 41 N 0.93 0.52 -0.00 2.37 5.08 -1.17 -3.08 114.58 119.23 1s72 h GLU 41 Ca 0.44 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1s72 h GLU 41 Cb 0.44 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s72 h GLU 41 CO -0.20 1.14 -0.13 0.54 -1.00 0.00 0.00 179.01 179.35 1s72 n ARG 42 N -3.82 0.63 -0.43 2.33 1.74 0.73 -4.93 116.66 112.92 1s72 n ARG 42 Ca -0.07 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1s72 n ARG 42 Cb 0.80 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1s72 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 43 N 1.30 1.73 0.00 -0.13 0.00 0.18 -4.87 105.19 103.41 1s72 n GLY 43 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1s72 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s72 n SER 44 N 0.00 0.00 -4.80 1.61 3.41 -0.87 -4.79 113.62 108.19 1s72 n SER 44 Ca 0.00 -0.87 -0.38 0.00 -0.26 0.00 0.00 58.87 57.36 1s72 n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1s72 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s72 s ALA 45 N -2.00 3.59 -0.12 7.33 0.00 -1.21 -4.21 121.76 125.13 1s72 s ALA 45 Ca 0.28 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1s72 s ALA 45 Cb 0.13 -2.57 -0.11 0.00 0.00 0.00 0.00 23.12 20.57 1s72 s ALA 45 CO 0.21 0.32 -0.04 0.39 0.00 0.00 0.00 175.76 176.64 1s72 n GLU 46 N 2.27 1.31 -3.67 0.00 1.02 -1.05 -4.83 120.64 115.69 1s72 n GLU 46 Ca -0.10 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 56.99 1s72 n GLU 46 Cb 0.51 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.56 1s72 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s72 s LEU 47 N -5.30 -0.52 -0.08 -4.62 2.96 -1.22 -4.09 118.68 105.82 1s72 s LEU 47 Ca -0.12 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1s72 s LEU 47 Cb 0.04 1.49 -0.03 0.00 0.50 0.00 0.00 46.19 48.20 1s72 s LEU 47 CO 0.39 -0.22 -0.09 0.68 -1.32 0.00 0.00 176.35 175.79 1s72 s VAL 48 N 2.16 3.48 -0.09 1.68 -7.23 -0.45 -0.03 120.40 119.93 1s72 s VAL 48 Ca -0.05 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1s72 s VAL 48 Cb -0.10 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1s72 s VAL 48 CO -0.14 0.58 0.00 -0.36 -0.31 0.00 0.00 175.10 174.87 1s72 s PHE 49 N -0.57 3.16 -0.07 2.82 0.40 0.32 -0.83 117.98 123.21 1s72 s PHE 49 Ca 0.08 0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.58 1s72 s PHE 49 Cb -0.12 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.63 1s72 s PHE 49 CO 0.02 0.44 -0.03 0.08 0.70 0.00 0.00 175.22 176.42 1s72 s VAL 50 N -0.79 0.57 0.77 -0.44 1.01 -0.51 -0.46 120.40 120.55 1s72 s VAL 50 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1s72 s VAL 50 Cb -0.11 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.67 1s72 s VAL 50 CO 0.02 0.27 1.09 0.00 0.00 0.00 0.00 175.10 176.48 1s72 s ALA 51 N 1.53 2.27 -0.77 5.51 0.00 -0.32 -1.19 121.76 128.79 1s72 s ALA 51 Ca -0.01 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.30 1s72 s ALA 51 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1s72 s ALA 51 CO -0.04 -1.75 0.57 0.39 0.00 0.00 0.00 175.76 174.93 1s72 n GLU 52 N -3.51 2.39 -1.22 0.00 1.02 0.20 -4.50 120.64 115.02 1s72 n GLU 52 Ca 0.09 -0.50 -0.22 0.00 -0.02 0.00 0.00 57.16 56.51 1s72 n GLU 52 Cb 0.53 -1.03 0.14 0.00 -0.02 0.00 0.00 31.44 31.06 1s72 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1s72 n ASP 53 N -0.39 4.56 -4.71 1.62 5.75 -1.20 -4.50 116.55 117.67 1s72 n ASP 53 Ca 0.03 -3.72 -0.41 0.00 -0.01 0.00 0.00 54.79 50.69 1s72 n ASP 53 Cb 0.18 -0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 39.46 1s72 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1s72 s VAL 54 N -3.82 4.98 -0.09 2.12 1.01 -1.26 -4.90 120.40 118.44 1s72 s VAL 54 Ca 0.55 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 64.17 1s72 s VAL 54 Cb 0.46 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1s72 s VAL 54 CO 0.04 0.21 0.15 -1.58 0.00 0.00 0.00 175.10 173.92 1s72 s GLN 55 N 0.93 0.03 0.64 2.72 -0.44 -1.26 -3.63 119.66 118.64 1s72 s GLN 55 Ca 0.43 0.48 -0.16 0.00 -2.50 0.00 0.00 55.36 53.61 1s72 s GLN 55 Cb -0.19 -0.45 -0.01 0.00 -1.64 0.00 0.00 33.01 30.73 1s72 s GLN 55 CO 0.21 -0.35 1.13 -2.14 0.50 0.00 0.00 175.29 174.64 1s72 s PRO 56 N 2.27 2.84 0.38 1.67 0.02 -1.26 -5.07 135.00 135.85 1s72 s PRO 56 Ca 0.04 1.51 0.28 0.00 0.02 0.00 0.00 61.00 62.84 1s72 s PRO 56 Cb -0.12 -1.95 1.09 0.00 0.02 0.00 0.00 34.50 33.54 1s72 s PRO 56 CO -0.06 -1.24 1.82 0.93 -0.33 0.00 0.00 177.00 178.12 1s72 h GLU 57 N 0.28 0.00 -0.89 5.54 5.08 -2.00 -3.19 114.58 119.39 1s72 h GLU 57 Ca -0.48 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.06 1s72 h GLU 57 Cb 1.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1s72 h GLU 57 CO 0.54 0.00 0.58 0.93 -1.00 0.00 0.00 179.01 180.06 1s72 h GLU 58 N 0.00 0.51 -0.32 2.33 3.07 -1.97 -0.91 114.58 117.28 1s72 h GLU 58 Ca 0.00 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 1s72 h GLU 58 Cb 0.49 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1s72 h GLU 58 CO 0.00 0.34 0.22 0.82 -1.40 0.00 0.00 179.01 178.98 1s72 h ILE 59 N 0.52 0.94 0.00 3.13 2.04 -1.96 -3.21 117.51 118.97 1s72 h ILE 59 Ca 0.46 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1s72 h ILE 59 Cb 0.98 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1s72 h ILE 59 CO -0.20 0.03 -0.33 0.52 0.00 0.00 0.00 178.15 178.18 1s72 n VAL 60 N -4.48 0.00 -0.30 1.67 0.31 -0.75 -4.77 118.33 110.00 1s72 n VAL 60 Ca 0.04 -0.36 0.26 0.00 -0.01 0.00 0.00 64.34 64.27 1s72 n VAL 60 Cb 0.26 0.88 0.49 0.00 -0.91 0.00 0.00 33.84 34.56 1s72 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1s72 n MET 61 N -1.17 -0.06 0.18 5.55 2.81 -0.42 -0.89 117.12 123.13 1s72 n MET 61 Ca 0.00 1.30 0.06 0.00 -1.81 0.00 0.00 57.70 57.26 1s72 n MET 61 Cb 0.05 -2.28 0.26 0.00 -0.71 0.00 0.00 33.22 30.54 1s72 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1s72 h HIS 62 N 0.00 0.00 -0.31 2.03 2.07 -1.86 -3.37 115.15 113.71 1s72 h HIS 62 Ca 0.74 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 58.30 1s72 h HIS 62 Cb 1.90 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.80 1s72 h HIS 62 CO -0.10 0.35 -0.53 0.82 -3.07 0.00 0.00 177.93 175.40 1s72 h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -1.36 -1.66 117.51 121.69 1s72 h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1s72 h ILE 63 Cb 1.02 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1s72 h ILE 63 CO 0.05 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.86 1s72 n PRO 64 N -5.25 0.00 -0.25 2.37 -0.02 -1.26 -0.15 135.00 130.44 1s72 n PRO 64 Ca -0.04 0.62 0.17 0.00 -2.02 0.00 0.00 63.50 62.22 1s72 n PRO 64 Cb 0.33 -1.22 0.47 0.00 -0.02 0.00 0.00 33.50 33.07 1s72 n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1s72 h GLU 65 N 0.00 0.48 -0.36 -0.52 4.81 -1.82 0.38 114.58 117.56 1s72 h GLU 65 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1s72 h GLU 65 Cb 0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1s72 h GLU 65 CO 0.00 0.32 0.12 1.25 -0.73 0.00 0.00 179.01 179.96 1s72 h LEU 66 N 0.49 0.52 -1.18 1.64 5.85 -0.83 -2.30 115.31 119.51 1s72 h LEU 66 Ca 0.46 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1s72 h LEU 66 Cb 1.01 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1s72 h LEU 66 CO -0.19 0.58 0.34 0.00 -0.34 0.00 0.00 178.44 178.83 1s72 h ALA 67 N 0.96 1.37 -0.26 1.25 0.00 0.15 -2.96 119.26 119.77 1s72 h ALA 67 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1s72 h ALA 67 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s72 h ALA 67 CO -0.00 0.51 0.06 -0.44 0.00 0.00 0.00 179.25 179.37 1s72 h ASP 68 N 0.91 0.39 0.00 0.00 3.32 -0.72 -2.30 116.42 118.02 1s72 h ASP 68 Ca 0.23 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s72 h ASP 68 Cb 0.05 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1s72 h ASP 68 CO -0.03 0.52 0.00 -1.84 -1.72 0.00 0.00 179.24 176.17 1s72 n GLU 69 N -4.71 0.94 0.00 3.56 0.28 -0.90 -2.69 120.64 117.12 1s72 n GLU 69 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1s72 n GLU 69 Cb 0.18 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1s72 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1s72 n LYS 70 N -0.63 1.72 0.00 3.44 4.76 -0.99 -5.00 118.16 121.46 1s72 n LYS 70 Ca 0.06 -1.11 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 1s72 n LYS 70 Cb 0.03 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1s72 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s72 n GLY 71 N -0.32 1.68 3.72 0.72 0.00 -0.91 -4.95 105.19 105.13 1s72 n GLY 71 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1s72 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s72 n VAL 72 N -1.41 0.34 -2.96 1.61 0.31 -0.96 -4.96 118.33 110.30 1s72 n VAL 72 Ca 0.00 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 1s72 n VAL 72 Cb 0.00 -1.89 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 1s72 n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s72 s PRO 73 N 0.57 4.28 0.02 5.55 0.02 -1.26 -4.38 135.00 139.81 1s72 s PRO 73 Ca 0.72 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1s72 s PRO 73 Cb -0.54 -2.60 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 1s72 s PRO 73 CO 0.39 0.22 -0.04 -0.59 -0.33 0.00 0.00 177.00 176.65 1s72 s PHE 74 N -1.80 0.30 0.02 6.54 -0.12 -1.26 -1.33 117.98 120.33 1s72 s PHE 74 Ca 0.52 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1s72 s PHE 74 Cb -0.14 -0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1s72 s PHE 74 CO 0.19 -0.15 -0.10 -1.50 -0.05 0.00 0.00 175.22 173.61 1s72 s ILE 75 N -1.26 0.77 0.09 -4.49 2.07 -0.01 -4.95 121.20 113.42 1s72 s ILE 75 Ca -0.13 -0.68 -0.15 0.00 -1.41 0.00 0.00 60.65 58.28 1s72 s ILE 75 Cb -0.09 -0.70 -0.07 0.00 0.13 0.00 0.00 42.46 41.74 1s72 s ILE 75 CO -0.01 0.03 0.52 -0.36 -1.91 0.00 0.00 174.94 173.21 1s72 s PHE 76 N -0.61 3.69 -0.02 3.50 2.99 -1.26 -1.42 117.98 124.84 1s72 s PHE 76 Ca 0.00 1.09 0.06 0.00 0.00 0.00 0.00 56.93 58.08 1s72 s PHE 76 Cb -0.06 -2.38 -0.01 0.00 0.00 0.00 0.00 43.02 40.57 1s72 s PHE 76 CO 0.00 0.52 -0.20 0.08 -0.00 0.00 0.00 175.22 175.62 1s72 s VAL 77 N -1.29 1.62 -0.03 -0.44 1.01 -0.33 -4.85 120.40 116.09 1s72 s VAL 77 Ca 0.32 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 1s72 s VAL 77 Cb -0.17 -1.36 -0.19 0.00 0.00 0.00 0.00 36.38 34.67 1s72 s VAL 77 CO 0.18 0.46 1.12 -0.33 0.00 0.00 0.00 175.10 176.53 1s72 h GLU 78 N 5.75 -0.13 -5.87 2.72 4.39 -1.94 0.61 114.58 120.11 1s72 h GLU 78 Ca -0.38 0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.76 1s72 h GLU 78 Cb 1.15 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 1s72 h GLU 78 CO 0.48 0.33 -0.07 -0.65 -1.16 0.00 0.00 179.01 177.95 1s72 s GLN 79 N -3.97 4.35 0.18 2.33 -1.52 -1.26 -3.26 119.66 116.51 1s72 s GLN 79 Ca -0.15 0.60 -0.05 0.00 -1.95 0.00 0.00 55.36 53.81 1s72 s GLN 79 Cb 0.01 -3.42 0.08 0.00 -0.22 0.00 0.00 33.01 29.46 1s72 s GLN 79 CO 0.59 0.18 1.50 0.37 -0.25 0.00 0.00 175.29 177.68 1s72 h GLN 80 N 6.52 0.68 0.00 2.91 4.15 -1.86 -3.00 115.11 124.52 1s72 h GLN 80 Ca -0.42 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 58.60 1s72 h GLN 80 Cb 1.19 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1s72 h GLN 80 CO 0.74 1.01 -0.04 -0.44 -1.93 0.00 0.00 178.83 178.18 1s72 h ASP 81 N 0.54 0.00 0.04 -0.69 3.32 -1.92 -1.75 116.42 115.96 1s72 h ASP 81 Ca 0.03 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 1s72 h ASP 81 Cb 1.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.61 1s72 h ASP 81 CO 0.10 0.04 -1.08 0.44 -1.72 0.00 0.00 179.24 177.01 1s72 h ASP 82 N 0.00 0.90 -0.65 6.45 3.32 -1.91 -1.63 116.42 122.90 1s72 h ASP 82 Ca -0.00 -0.74 -0.08 0.00 0.02 0.00 0.00 57.03 56.23 1s72 h ASP 82 Cb 0.82 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1s72 h ASP 82 CO 0.00 1.54 0.09 0.25 -1.72 0.00 0.00 179.24 179.41 1s72 h LEU 83 N 0.37 1.05 -0.45 1.55 5.85 -1.47 0.10 115.31 122.31 1s72 h LEU 83 Ca -0.14 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1s72 h LEU 83 Cb 1.74 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 1s72 h LEU 83 CO 0.21 1.05 -0.02 1.23 -0.34 0.00 0.00 178.44 180.57 1s72 h GLY 84 N 1.00 0.87 0.89 3.75 0.00 -1.47 -0.01 103.07 108.10 1s72 h GLY 84 Ca 0.20 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1s72 h GLY 84 CO 0.02 0.60 -0.01 0.84 0.00 0.00 0.00 176.54 177.99 1s72 h HIS 85 N 0.64 0.60 -0.98 5.60 -0.00 -1.10 0.64 115.15 120.55 1s72 h HIS 85 Ca 0.12 -0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1s72 h HIS 85 Cb 0.53 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.73 1s72 h HIS 85 CO 0.04 0.68 0.64 0.00 -0.00 0.00 0.00 177.93 179.29 1s72 h ALA 86 N 0.84 1.38 0.00 5.26 0.00 -0.69 0.13 119.26 126.17 1s72 h ALA 86 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s72 h ALA 86 Cb 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1s72 h ALA 86 CO 0.02 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1s72 n ALA 87 N -2.38 1.91 -0.03 0.00 0.00 -0.03 -3.92 120.51 116.07 1s72 n ALA 87 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1s72 n ALA 87 Cb 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1s72 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 88 N 0.54 0.99 3.92 0.00 0.00 0.46 -4.95 105.19 106.15 1s72 n GLY 88 Ca 0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1s72 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s72 s LEU 89 N 0.00 4.19 0.33 0.99 1.43 0.22 -4.97 118.68 120.88 1s72 s LEU 89 Ca 0.00 0.49 0.23 0.00 -1.03 0.00 0.00 54.13 53.82 1s72 s LEU 89 Cb 0.00 -3.27 0.28 0.00 0.03 0.00 0.00 46.19 43.23 1s72 s LEU 89 CO 0.00 -0.07 1.44 -0.08 0.23 0.00 0.00 176.35 177.87 1s72 h GLU 90 N 2.03 0.00 -6.07 1.70 4.81 -1.94 -3.31 114.58 111.80 1s72 h GLU 90 Ca -0.48 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.18 1s72 h GLU 90 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1s72 h GLU 90 CO 0.68 0.00 -0.25 0.08 -0.73 0.00 0.00 179.01 178.79 1s72 s VAL 91 N -3.24 1.66 0.87 0.32 1.01 -1.26 -4.99 120.40 114.76 1s72 s VAL 91 Ca 0.05 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 1s72 s VAL 91 Cb 0.07 -2.05 0.18 0.00 0.00 0.00 0.00 36.38 34.59 1s72 s VAL 91 CO 0.70 0.00 1.19 -0.83 0.00 0.00 0.00 175.10 176.17 1s72 s GLY 92 N -4.39 1.78 -0.18 4.51 0.00 -1.26 -4.14 107.32 103.64 1s72 s GLY 92 Ca 0.39 -1.57 -0.08 0.00 0.00 0.00 0.00 44.72 43.46 1s72 s GLY 92 CO 0.24 -0.84 0.41 -0.45 0.00 0.00 0.00 173.10 172.47 1s72 s SER 93 N -4.88 -0.36 0.31 1.64 0.15 -0.70 -4.72 113.70 105.16 1s72 s SER 93 Ca 0.72 0.94 0.13 0.00 0.70 0.00 0.00 55.95 58.44 1s72 s SER 93 Cb -0.03 1.07 0.50 0.00 -1.71 0.00 0.00 66.02 65.84 1s72 s SER 93 CO 0.50 -0.22 1.68 0.00 1.20 0.00 0.00 173.24 176.40 1s72 h ALA 94 N 7.69 1.04 -2.23 5.45 0.00 -1.95 -3.39 119.26 125.86 1s72 h ALA 94 Ca -0.25 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1s72 h ALA 94 Cb 1.14 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 1s72 h ALA 94 CO 0.20 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 180.08 1s72 s ALA 95 N -3.69 -1.33 0.03 0.00 0.00 -1.26 -1.17 121.76 114.33 1s72 s ALA 95 Ca -0.01 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 1s72 s ALA 95 Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1s72 s ALA 95 CO 0.74 -0.33 0.09 0.00 0.00 0.00 0.00 175.76 176.27 1s72 s ALA 96 N -1.28 -0.09 -0.07 0.00 0.00 0.39 -1.80 121.76 118.91 1s72 s ALA 96 Ca -0.12 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1s72 s ALA 96 Cb -0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1s72 s ALA 96 CO 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 175.76 175.52 1s72 s ALA 97 N -2.38 0.73 -0.67 0.00 0.00 0.09 0.12 121.76 119.65 1s72 s ALA 97 Ca -0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1s72 s ALA 97 Cb -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1s72 s ALA 97 CO -0.04 -0.31 1.25 0.08 0.00 0.00 0.00 175.76 176.75 1s72 s VAL 98 N 1.59 3.84 -0.97 0.00 1.01 0.96 0.65 120.40 127.49 1s72 s VAL 98 Ca -0.00 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1s72 s VAL 98 Cb -0.13 -4.83 0.15 0.00 0.00 0.00 0.00 36.38 31.58 1s72 s VAL 98 CO -0.04 -1.62 1.14 0.28 0.00 0.00 0.00 175.10 174.86 1s72 s THR 99 N 5.43 4.91 -0.08 3.92 -1.32 0.78 -2.52 115.64 126.76 1s72 s THR 99 Ca 0.39 -1.90 -0.02 0.00 -1.21 0.00 0.00 61.69 58.95 1s72 s THR 99 Cb -0.08 -4.76 0.01 0.00 -1.51 0.00 0.00 72.50 66.15 1s72 s THR 99 CO 0.20 -1.47 0.03 0.47 -2.21 0.00 0.00 174.62 171.64 1s72 n ASP 100 N 6.02 -2.88 -3.20 8.08 9.92 -1.26 -3.48 116.55 129.75 1s72 n ASP 100 Ca 0.25 0.45 -0.16 0.00 -0.53 0.00 0.00 54.79 54.79 1s72 n ASP 100 Cb 0.48 -2.38 0.16 0.00 -0.64 0.00 0.00 41.12 38.73 1s72 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s72 n ALA 101 N 0.36 -2.85 -3.65 2.24 0.00 -1.26 -1.30 120.51 114.05 1s72 n ALA 101 Ca -0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 1s72 n ALA 101 Cb 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 1s72 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s72 s GLY 102 N -2.36 -0.58 -1.27 0.00 0.00 -1.26 -4.26 107.32 97.59 1s72 s GLY 102 Ca 0.36 2.01 -0.04 0.00 0.00 0.00 0.00 44.72 47.05 1s72 s GLY 102 CO 0.30 2.80 0.30 1.18 0.00 0.00 0.00 173.10 177.68 1s72 n GLU 103 N 5.42 -3.13 0.00 2.90 1.02 -1.26 -4.43 120.64 121.16 1s72 n GLU 103 Ca -0.11 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1s72 n GLU 103 Cb 0.49 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.59 1s72 n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s72 n ALA 104 N -2.94 0.00 0.03 0.62 0.00 -1.26 -4.89 120.51 112.06 1s72 n ALA 104 Ca -0.10 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.56 1s72 n ALA 104 Cb 0.59 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.64 1s72 n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s72 h ASP 105 N 0.00 0.00 0.00 0.00 3.32 -1.87 0.82 116.42 118.69 1s72 h ASP 105 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s72 h ASP 105 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1s72 h ASP 105 CO 0.00 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.51 1s72 h ALA 106 N 1.05 0.00 -0.90 3.45 0.00 -1.98 -2.39 119.26 118.49 1s72 h ALA 106 Ca 0.26 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.30 1s72 h ALA 106 Cb 1.73 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.43 1s72 h ALA 106 CO -0.00 0.01 0.51 -0.44 0.00 0.00 0.00 179.25 179.33 1s72 h ASP 107 N -0.42 0.68 0.32 0.00 3.32 -1.68 -0.83 116.42 117.81 1s72 h ASP 107 Ca 0.00 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1s72 h ASP 107 Cb 0.01 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1s72 h ASP 107 CO 0.00 0.31 -0.29 0.58 -1.72 0.00 0.00 179.24 178.12 1s72 h VAL 108 N 0.75 0.00 -1.06 -1.35 2.07 0.48 0.14 116.25 117.28 1s72 h VAL 108 Ca 0.48 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.30 1s72 h VAL 108 Cb 0.61 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 1s72 h VAL 108 CO -0.33 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 177.83 1s72 h GLU 109 N -0.61 0.36 -0.18 1.57 4.81 -0.86 0.42 114.58 120.09 1s72 h GLU 109 Ca -0.04 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1s72 h GLU 109 Cb 0.52 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1s72 h GLU 109 CO -0.02 0.24 -0.55 -0.44 -0.73 0.00 0.00 179.01 177.51 1s72 h ASP 110 N 0.37 0.60 -0.61 1.04 3.32 -0.57 -2.53 116.42 118.06 1s72 h ASP 110 Ca 0.68 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 1s72 h ASP 110 Cb 1.65 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1s72 h ASP 110 CO -0.45 1.03 0.20 0.40 -1.72 0.00 0.00 179.24 178.70 1s72 h ILE 111 N 0.42 1.24 -0.45 0.35 2.04 0.26 0.11 117.51 121.47 1s72 h ILE 111 Ca 0.01 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1s72 h ILE 111 Cb 1.10 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1s72 h ILE 111 CO 0.10 0.32 0.10 0.00 0.00 0.00 0.00 178.15 178.67 1s72 h ALA 112 N 1.27 1.33 -0.16 1.87 0.00 -1.06 -1.80 119.26 120.70 1s72 h ALA 112 Ca 0.21 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1s72 h ALA 112 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s72 h ALA 112 CO -0.01 0.47 -0.20 -0.44 0.00 0.00 0.00 179.25 179.07 1s72 h ASP 113 N 0.66 0.46 -0.85 0.00 3.32 -0.82 -1.67 116.42 117.52 1s72 h ASP 113 Ca 0.15 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.74 1s72 h ASP 113 Cb 0.26 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1s72 h ASP 113 CO -0.00 0.87 0.56 0.11 -1.72 0.00 0.00 179.24 179.06 1s72 h LYS 114 N 0.06 0.99 -0.06 3.56 1.57 -0.50 -1.60 116.57 120.60 1s72 h LYS 114 Ca 0.02 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1s72 h LYS 114 Cb 0.76 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1s72 h LYS 114 CO 0.05 0.66 -0.22 0.28 -0.57 0.00 0.00 179.45 179.65 1s72 h VAL 115 N 1.02 1.45 -0.78 0.50 2.07 -1.31 -0.17 116.25 119.03 1s72 h VAL 115 Ca 0.35 -1.64 0.15 0.00 0.82 0.00 0.00 66.70 66.38 1s72 h VAL 115 Cb 0.09 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1s72 h VAL 115 CO -0.11 0.46 0.52 -0.33 0.02 0.00 0.00 177.57 178.13 1s72 h GLU 116 N -0.28 0.43 0.03 1.57 4.39 -1.00 0.27 114.58 119.98 1s72 h GLU 116 Ca -0.01 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1s72 h GLU 116 Cb 0.86 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1s72 h GLU 116 CO 0.05 0.28 -0.98 0.93 -1.16 0.00 0.00 179.01 178.13 1s72 h GLU 117 N 0.44 0.28 0.00 2.33 5.08 -1.20 -2.60 114.58 118.92 1s72 h GLU 117 Ca 0.38 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1s72 h GLU 117 Cb 0.86 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1s72 h GLU 117 CO -0.13 1.06 0.00 -0.11 -1.00 0.00 0.00 179.01 178.83 1s72 n LEU 118 N -3.66 0.00 0.00 1.33 7.94 0.89 -5.10 117.00 118.41 1s72 n LEU 118 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1s72 n LEU 118 Cb 0.86 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.81 1s72 n LEU 118 CO 0.50 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.64