#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d89 s SER 2 N 0.00 6.73 -0.19 1.61 0.01 -1.26 -5.08 113.70 115.52 2d89 s SER 2 Ca 0.00 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.13 2d89 s SER 2 Cb 0.00 -2.22 0.10 0.00 0.21 0.00 0.00 66.02 64.10 2d89 s SER 2 CO 0.00 0.19 0.29 -0.55 0.41 0.00 0.00 173.24 173.57 2d89 s SER 3 N -1.60 0.71 -1.28 2.44 0.15 -1.26 -5.07 113.70 107.78 2d89 s SER 3 Ca 0.32 0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.97 2d89 s SER 3 Cb -0.15 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2d89 s SER 3 CO 0.17 -0.29 1.88 0.61 1.20 0.00 0.00 173.24 176.81 2d89 n GLY 4 N 5.34 2.69 4.41 9.45 0.00 -1.26 -4.41 105.19 121.41 2d89 n GLY 4 Ca -0.05 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 2d89 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d89 n SER 5 N 8.86 -1.00 -4.22 1.61 7.64 -1.26 -4.85 113.62 120.40 2d89 n SER 5 Ca 0.49 -1.22 -0.40 0.00 1.01 0.00 0.00 58.87 58.75 2d89 n SER 5 Cb 0.44 -1.80 -0.04 0.00 -1.01 0.00 0.00 64.21 61.80 2d89 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d89 s SER 6 N -3.69 6.57 -0.59 6.43 0.01 -1.26 -4.79 113.70 116.37 2d89 s SER 6 Ca 0.51 -3.59 -0.09 0.00 1.31 0.00 0.00 55.95 54.09 2d89 s SER 6 Cb -0.29 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 63.90 2d89 s SER 6 CO 1.00 -0.25 0.65 0.61 0.41 0.00 0.00 173.24 175.66 2d89 n GLY 7 N 2.61 -1.23 3.60 3.44 0.00 -1.26 -4.87 105.19 107.48 2d89 n GLY 7 Ca 0.22 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.67 2d89 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 8 N -2.88 3.43 -0.01 1.61 0.04 -1.26 -4.98 135.00 130.94 2d89 s PRO 8 Ca 0.13 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 2d89 s PRO 8 Cb -0.03 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2d89 s PRO 8 CO 0.77 -1.74 0.07 0.54 0.04 0.00 0.00 177.00 176.67 2d89 s ASN 9 N 5.41 -0.00 -0.06 6.66 2.20 -1.26 -4.72 114.94 123.16 2d89 s ASN 9 Ca 0.75 -0.03 -0.32 0.00 -0.94 0.00 0.00 52.86 52.32 2d89 s ASN 9 Cb -0.20 0.16 0.12 0.00 -2.00 0.00 0.00 41.25 39.32 2d89 s ASN 9 CO 0.33 -0.14 1.20 0.00 -2.94 0.00 0.00 177.10 175.55 2d89 s ALA 10 N -0.49 -2.09 -0.14 3.54 0.00 -1.26 -5.05 121.76 116.27 2d89 s ALA 10 Ca -0.06 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 2d89 s ALA 10 Cb -0.04 0.21 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 2d89 s ALA 10 CO 0.00 -0.85 0.09 0.66 0.00 0.00 0.00 175.76 175.66 2d89 h SER 11 N 2.00 0.00 -0.40 0.00 4.64 -2.01 -3.34 113.55 114.44 2d89 h SER 11 Ca -0.21 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 2d89 h SER 11 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2d89 h SER 11 CO 0.26 0.84 0.21 -0.61 -0.87 0.00 0.00 176.83 176.67 2d89 h GLN 12 N -1.00 0.42 -0.83 4.77 -0.00 -1.99 -2.56 115.11 113.93 2d89 h GLN 12 Ca -0.06 -0.03 0.18 0.00 -0.00 0.00 0.00 58.65 58.74 2d89 h GLN 12 Cb 0.56 -0.10 -0.15 0.00 0.00 0.00 0.00 27.48 27.79 2d89 h GLN 12 CO -0.04 0.28 -0.11 1.03 0.00 0.00 0.00 178.83 179.99 2d89 h SER 13 N 0.44 -0.61 0.09 -0.69 0.87 -1.97 0.24 113.55 111.91 2d89 h SER 13 Ca 0.16 0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2d89 h SER 13 Cb 0.04 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2d89 h SER 13 CO -0.10 -0.26 -0.04 0.25 -0.53 0.00 0.00 176.83 176.15 2d89 h LEU 14 N 0.03 -0.10 -1.71 2.23 5.85 -1.59 -0.31 115.31 119.71 2d89 h LEU 14 Ca 0.43 0.00 0.50 0.00 0.84 0.00 0.00 57.88 59.66 2d89 h LEU 14 Cb 0.73 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 2d89 h LEU 14 CO -0.81 -0.05 1.22 -0.11 -0.34 0.00 0.00 178.44 178.35 2d89 n LEU 15 N -2.40 0.02 -0.06 2.25 7.94 -1.00 0.12 117.00 123.87 2d89 n LEU 15 Ca -0.01 0.91 -0.16 0.00 -1.11 0.00 0.00 56.01 55.64 2d89 n LEU 15 Cb 0.05 -0.45 -0.13 0.00 0.53 0.00 0.00 43.42 43.41 2d89 n LEU 15 CO 0.03 -0.92 0.24 0.58 -1.11 0.00 0.00 177.39 176.22 2d89 h VAL 16 N 0.00 1.66 -0.82 1.96 2.07 -0.84 -2.81 116.25 117.46 2d89 h VAL 16 Ca 0.83 -2.35 0.19 0.00 0.82 0.00 0.00 66.70 66.19 2d89 h VAL 16 Cb 3.29 3.24 -0.12 0.00 -1.52 0.00 0.00 31.29 36.17 2d89 h VAL 16 CO -0.04 0.59 0.27 -0.25 0.02 0.00 0.00 177.57 178.16 2d89 h TRP 17 N -0.93 0.44 -0.13 1.57 7.01 0.28 0.74 115.95 124.93 2d89 h TRP 17 Ca -0.06 0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 2d89 h TRP 17 Cb 1.11 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2d89 h TRP 17 CO 0.25 -0.08 -0.25 0.00 -2.79 0.00 0.00 178.44 175.57 2d89 h LYS 19 N -0.01 0.00 0.20 0.00 1.57 -0.87 -2.19 116.57 115.27 2d89 h LYS 19 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2d89 h LYS 19 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2d89 h LYS 19 CO 0.06 0.06 -0.10 1.49 -0.57 0.00 0.00 179.45 180.39 2d89 h GLU 20 N 0.00 -0.26 0.00 3.15 4.81 0.54 -1.61 114.58 121.22 2d89 h GLU 20 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2d89 h GLU 20 Cb 0.31 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2d89 h GLU 20 CO 0.01 -0.17 0.08 -0.39 -0.73 0.00 0.00 179.01 177.80 2d89 h VAL 21 N -0.90 0.00 -0.25 0.32 -1.51 -1.46 0.16 116.25 112.62 2d89 h VAL 21 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 2d89 h VAL 21 Cb 0.20 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2d89 h VAL 21 CO 0.04 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.73 2d89 n THR 22 N -2.86 2.24 -0.21 7.19 -2.24 -0.83 -4.63 114.28 112.95 2d89 n THR 22 Ca -0.02 -1.89 -0.03 0.00 -2.27 0.00 0.00 64.05 59.84 2d89 n THR 22 Cb 0.13 -0.24 0.16 0.00 -2.10 0.00 0.00 70.33 68.29 2d89 n THR 22 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2d89 h LYS 23 N 1.71 1.01 -1.57 -0.78 2.10 0.37 -2.79 116.57 116.61 2d89 h LYS 23 Ca 0.00 -0.15 -0.72 0.00 -2.00 0.00 0.00 60.65 57.78 2d89 h LYS 23 Cb 1.41 -0.18 -0.29 0.00 -0.90 0.00 0.00 32.23 32.26 2d89 h LYS 23 CO 0.21 0.80 0.80 0.27 -2.00 0.00 0.00 179.45 179.52 2d89 n ASN 24 N -4.32 7.29 -4.64 7.07 0.23 -1.26 -4.97 115.26 114.66 2d89 n ASN 24 Ca 0.06 -3.81 -0.28 0.00 -0.53 0.00 0.00 54.58 50.02 2d89 n ASN 24 Cb 0.16 -0.96 -0.10 0.00 -2.08 0.00 0.00 39.78 36.79 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2d89 s TYR 25 N -3.94 2.46 -0.14 -2.53 1.51 -1.05 -5.14 117.35 108.52 2d89 s TYR 25 Ca 0.56 -0.69 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 2d89 s TYR 25 Cb 0.46 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 2d89 s TYR 25 CO -0.24 0.41 -0.14 1.03 -1.11 0.00 0.00 175.55 175.50 2d89 s ARG 26 N -3.74 3.31 -0.61 -0.62 3.00 -1.26 -4.59 118.95 114.44 2d89 s ARG 26 Ca 0.33 -0.71 -0.00 0.00 0.00 0.00 0.00 55.73 55.35 2d89 s ARG 26 Cb 0.09 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.40 2d89 s ARG 26 CO 0.17 0.12 0.00 0.41 0.00 0.00 0.00 175.30 175.99 2d89 n GLY 27 N 3.80 0.07 3.05 -3.53 0.00 -1.26 -5.00 105.19 102.32 2d89 n GLY 27 Ca -0.18 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2d89 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d89 s VAL 28 N -2.36 3.33 -0.56 1.61 1.01 -1.26 -4.98 120.40 117.19 2d89 s VAL 28 Ca 0.00 -3.01 0.04 0.00 0.00 0.00 0.00 61.98 59.01 2d89 s VAL 28 Cb -0.00 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.31 2d89 s VAL 28 CO 0.00 -0.84 0.33 -0.75 0.00 0.00 0.00 175.10 173.84 2d89 s LYS 29 N -0.05 2.03 -0.63 2.72 2.20 -1.26 -4.99 119.74 119.76 2d89 s LYS 29 Ca 0.16 -2.77 -0.26 0.00 -0.36 0.00 0.00 55.97 52.75 2d89 s LYS 29 Cb -0.22 -3.20 -0.24 0.00 -1.51 0.00 0.00 37.83 32.66 2d89 s LYS 29 CO -0.03 -1.17 1.84 -0.89 -0.36 0.00 0.00 175.35 174.74 2d89 n ILE 30 N 2.80 0.90 0.14 5.43 -0.00 -1.26 -4.56 119.36 122.81 2d89 n ILE 30 Ca 0.10 -0.84 -0.23 0.00 -0.00 0.00 0.00 62.75 61.79 2d89 n ILE 30 Cb 0.34 -2.13 -0.15 0.00 -0.00 0.00 0.00 39.64 37.69 2d89 n ILE 30 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 2d89 h THR 31 N 5.32 1.33 -4.00 1.39 1.35 -1.96 -3.48 112.91 112.86 2d89 h THR 31 Ca 0.26 -2.79 -0.26 0.00 -0.55 0.00 0.00 66.41 63.08 2d89 h THR 31 Cb 0.78 3.02 -0.15 0.00 -1.73 0.00 0.00 68.15 70.08 2d89 h THR 31 CO 1.71 0.83 -0.65 0.54 -0.25 0.00 0.00 175.52 177.70 2d89 s ASN 32 N -7.49 0.89 0.00 5.36 2.20 -1.26 -5.04 114.94 109.60 2d89 s ASN 32 Ca -0.08 -1.21 0.21 0.00 -0.94 0.00 0.00 52.86 50.84 2d89 s ASN 32 Cb 0.05 0.19 0.47 0.00 -2.00 0.00 0.00 41.25 39.95 2d89 s ASN 32 CO 0.93 -0.65 1.40 0.49 -2.94 0.00 0.00 177.10 176.34 2d89 n PHE 33 N -0.22 0.63 -0.04 1.54 3.72 -1.26 -3.74 117.46 118.09 2d89 n PHE 33 Ca -0.05 -0.35 -0.05 0.00 -0.05 0.00 0.00 57.45 56.95 2d89 n PHE 33 Cb 0.64 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.16 2d89 n PHE 33 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2d89 n THR 34 N 1.40 1.29 -0.06 4.37 -2.24 -1.26 -4.67 114.28 113.11 2d89 n THR 34 Ca 0.20 0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 62.13 2d89 n THR 34 Cb 0.58 -2.01 -0.08 0.00 -2.10 0.00 0.00 70.33 66.72 2d89 n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2d89 h THR 35 N -0.58 1.02 -1.57 4.28 1.35 -1.94 -0.30 112.91 115.16 2d89 h THR 35 Ca 0.00 -1.79 0.48 0.00 -0.55 0.00 0.00 66.41 64.54 2d89 h THR 35 Cb 0.58 1.95 -0.09 0.00 -1.73 0.00 0.00 68.15 68.87 2d89 h THR 35 CO 0.00 0.35 1.10 -0.24 -0.25 0.00 0.00 175.52 176.47 2d89 n SER 36 N -4.66 0.06 -0.02 5.36 2.88 -1.25 0.23 113.62 116.22 2d89 n SER 36 Ca -0.07 0.98 0.05 0.00 -1.33 0.00 0.00 58.87 58.49 2d89 n SER 36 Cb 0.31 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 63.17 2d89 n SER 36 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2d89 n TRP 37 N -3.92 0.00 -0.31 0.66 7.02 -1.25 -4.20 117.44 115.44 2d89 n TRP 37 Ca 0.38 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.93 2d89 n TRP 37 Cb 1.64 -0.38 0.16 0.00 -2.42 0.00 0.00 31.31 30.31 2d89 n TRP 37 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 2d89 n ARG 38 N -2.08 -0.08 -0.01 -0.99 0.63 0.61 -0.40 116.66 114.35 2d89 n ARG 38 Ca -0.06 1.35 -0.12 0.00 -0.92 0.00 0.00 57.85 58.10 2d89 n ARG 38 Cb 0.46 -2.05 -0.10 0.00 0.45 0.00 0.00 32.46 31.22 2d89 n ARG 38 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2d89 h ASN 39 N 0.00 -0.05 0.00 6.15 7.08 -1.80 -3.46 115.58 123.50 2d89 h ASN 39 Ca 0.45 -0.59 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 2d89 h ASN 39 Cb 0.76 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.01 2d89 h ASN 39 CO -0.88 0.60 0.00 0.61 -2.08 0.00 0.00 177.43 175.68 2d89 n GLY 40 N 0.73 1.55 0.04 9.14 0.00 0.47 -3.76 105.19 113.36 2d89 n GLY 40 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2d89 n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d89 h LEU 41 N 0.00 0.00 -1.61 0.99 3.38 -1.79 -3.22 115.31 113.05 2d89 h LEU 41 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2d89 h LEU 41 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2d89 h LEU 41 CO 0.00 0.45 0.54 0.28 0.09 0.00 0.00 178.44 179.80 2d89 h SER 42 N -0.83 0.34 -0.61 -0.43 0.02 -1.93 0.22 113.55 110.34 2d89 h SER 42 Ca 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2d89 h SER 42 Cb 0.07 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2d89 h SER 42 CO 0.00 0.16 0.31 -0.26 -1.14 0.00 0.00 176.83 175.90 2d89 h PHE 43 N 0.36 0.86 0.08 3.45 0.04 -1.91 -1.16 116.94 118.66 2d89 h PHE 43 Ca 0.40 -0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.88 2d89 h PHE 43 Cb 1.03 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 2d89 h PHE 43 CO -0.00 0.64 -1.13 0.00 -0.60 0.00 0.00 178.31 177.22 2d89 h ALA 45 N 0.69 0.33 0.81 0.00 0.00 -0.45 -0.91 119.26 119.73 2d89 h ALA 45 Ca -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2d89 h ALA 45 Cb 1.83 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2d89 h ALA 45 CO 0.18 -0.15 -0.46 0.82 0.00 0.00 0.00 179.25 179.64 2d89 h ILE 46 N 0.31 0.07 -0.45 0.00 2.04 -1.31 -1.10 117.51 117.07 2d89 h ILE 46 Ca 0.09 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2d89 h ILE 46 Cb 0.04 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 2d89 h ILE 46 CO -0.02 0.00 0.36 0.25 0.00 0.00 0.00 178.15 178.74 2d89 h LEU 47 N -1.18 0.00 -0.62 1.44 5.85 -1.54 0.23 115.31 119.49 2d89 h LEU 47 Ca -0.11 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 2d89 h LEU 47 Cb 0.93 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2d89 h LEU 47 CO 0.13 0.00 -0.68 -0.74 -0.34 0.00 0.00 178.44 176.82 2d89 h HIS 48 N 0.00 0.00 0.20 1.25 2.76 -0.56 -1.53 115.15 117.27 2d89 h HIS 48 Ca 0.22 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2d89 h HIS 48 Cb 0.93 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.89 2d89 h HIS 48 CO 0.00 0.68 -0.13 1.25 -1.30 0.00 0.00 177.93 178.42 2d89 h HIS 49 N 0.00 -0.34 0.06 5.26 -0.00 0.72 -1.08 115.15 119.77 2d89 h HIS 49 Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2d89 h HIS 49 Cb 1.22 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 2d89 h HIS 49 CO 0.00 -0.20 -0.03 0.74 -0.00 0.00 0.00 177.93 178.44 2d89 h PHE 50 N -0.33 -0.08 -3.02 5.26 0.04 -1.60 -3.41 116.94 113.81 2d89 h PHE 50 Ca -0.02 -0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.14 2d89 h PHE 50 Cb 0.28 0.02 -0.40 0.00 2.20 0.00 0.00 35.95 38.05 2d89 h PHE 50 CO -0.09 0.52 -0.72 1.03 -0.60 0.00 0.00 178.31 178.46 2d89 s ARG 51 N -2.97 1.51 0.00 1.51 3.00 -0.58 -4.94 118.95 116.48 2d89 s ARG 51 Ca -0.14 -2.27 0.15 0.00 0.00 0.00 0.00 55.73 53.47 2d89 s ARG 51 Cb -0.01 -2.56 0.77 0.00 0.00 0.00 0.00 34.95 33.15 2d89 s ARG 51 CO 0.54 -1.18 1.40 -0.35 0.00 0.00 0.00 175.30 175.71 2d89 n PRO 52 N 3.24 0.24 -0.68 3.54 -0.04 -0.41 -2.13 135.00 138.76 2d89 n PRO 52 Ca 0.11 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2d89 n PRO 52 Cb 0.35 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.66 2d89 n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2d89 n ASP 53 N -1.25 4.93 -0.09 3.54 9.92 -1.26 -4.30 116.55 128.03 2d89 n ASP 53 Ca 0.08 -2.70 -0.11 0.00 -0.53 0.00 0.00 54.79 51.52 2d89 n ASP 53 Cb 0.11 -0.60 -0.11 0.00 -0.64 0.00 0.00 41.12 39.88 2d89 n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2d89 n LEU 54 N 0.65 1.65 0.00 0.64 4.77 -0.91 -5.04 117.00 118.76 2d89 n LEU 54 Ca 0.25 -0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 2d89 n LEU 54 Cb 0.99 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 2d89 n LEU 54 CO 0.25 0.65 -0.20 -0.38 -1.33 0.00 0.00 177.39 176.38 2d89 n ILE 55 N -2.88 0.00 -1.25 -0.08 -0.00 -1.26 -4.96 119.36 108.93 2d89 n ILE 55 Ca -0.32 -2.25 0.01 0.00 -0.00 0.00 0.00 62.75 60.19 2d89 n ILE 55 Cb 0.95 0.40 0.22 0.00 -0.00 0.00 0.00 39.64 41.21 2d89 n ILE 55 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2d89 n ASP 56 N -1.35 3.10 0.29 4.38 9.92 -1.26 -4.69 116.55 126.94 2d89 n ASP 56 Ca -0.18 -3.44 0.13 0.00 -0.53 0.00 0.00 54.79 50.77 2d89 n ASP 56 Cb 0.61 -0.60 0.63 0.00 -0.64 0.00 0.00 41.12 41.12 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2d89 h TYR 57 N 1.30 0.00 -0.24 1.24 5.03 -1.90 0.31 116.97 122.71 2d89 h TYR 57 Ca 0.14 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2d89 h TYR 57 Cb 1.60 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.87 2d89 h TYR 57 CO 0.81 0.00 0.13 0.87 -1.32 0.00 0.00 178.16 178.65 2d89 h LYS 58 N 0.00 0.32 -0.24 1.82 1.57 -1.92 -2.93 116.57 115.20 2d89 h LYS 58 Ca 0.03 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 2d89 h LYS 58 Cb 1.05 -0.07 -0.27 0.00 0.08 0.00 0.00 32.23 33.02 2d89 h LYS 58 CO -0.00 0.24 -0.83 0.45 -0.57 0.00 0.00 179.45 178.74 2d89 n SER 59 N -4.47 2.18 -3.31 0.86 2.88 0.11 -5.08 113.62 106.79 2d89 n SER 59 Ca 0.01 -3.00 -0.12 0.00 -1.33 0.00 0.00 58.87 54.42 2d89 n SER 59 Cb 0.10 -0.42 0.06 0.00 -0.75 0.00 0.00 64.21 63.20 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d89 n LEU 60 N -0.49 0.00 -3.57 2.46 4.77 -0.98 -5.09 117.00 114.10 2d89 n LEU 60 Ca 0.19 -1.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.03 2d89 n LEU 60 Cb 0.90 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2d89 n LEU 60 CO 0.08 -0.77 0.93 0.20 -1.33 0.00 0.00 177.39 176.50 2d89 s ASN 61 N -3.14 -0.19 0.00 -1.43 0.02 -1.26 -5.00 114.94 103.93 2d89 s ASN 61 Ca 0.35 0.01 0.11 0.00 -1.02 0.00 0.00 52.86 52.30 2d89 s ASN 61 Cb -0.02 0.20 0.63 0.00 0.02 0.00 0.00 41.25 42.08 2d89 s ASN 61 CO 0.23 -0.32 1.07 -0.81 0.02 0.00 0.00 177.10 177.29 2d89 n PRO 62 N -0.10 0.49 0.00 -0.60 -0.04 -1.26 -2.60 135.00 130.89 2d89 n PRO 62 Ca -0.02 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 2d89 n PRO 62 Cb 0.59 -1.34 0.68 0.00 -0.04 0.00 0.00 33.50 33.39 2d89 n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d89 n GLN 63 N -0.84 0.23 -4.01 0.54 -0.00 -1.26 -4.63 117.38 107.41 2d89 n GLN 63 Ca 0.08 -0.01 -0.33 0.00 -0.00 0.00 0.00 57.00 56.74 2d89 n GLN 63 Cb 0.04 -1.50 -0.15 0.00 -0.00 0.00 0.00 30.24 28.63 2d89 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2d89 s ASP 64 N -2.77 4.24 -0.25 2.61 1.01 -1.07 -4.98 116.67 115.46 2d89 s ASP 64 Ca 0.22 -1.06 -0.14 0.00 0.71 0.00 0.00 52.55 52.28 2d89 s ASP 64 Cb 0.20 -1.60 -0.15 0.00 1.01 0.00 0.00 42.92 42.37 2d89 s ASP 64 CO 0.50 -0.14 -0.14 -0.38 0.21 0.00 0.00 175.17 175.21 2d89 n ILE 65 N 4.58 1.54 0.15 0.77 5.41 -1.26 -3.88 119.36 126.68 2d89 n ILE 65 Ca -0.16 -0.33 -0.12 0.00 1.00 0.00 0.00 62.75 63.14 2d89 n ILE 65 Cb 0.45 -1.86 -0.07 0.00 -0.71 0.00 0.00 39.64 37.46 2d89 n ILE 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2d89 h LYS 66 N -0.81 -0.42 0.06 0.38 3.64 -1.77 -3.11 116.57 114.55 2d89 h LYS 66 Ca -0.58 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2d89 h LYS 66 Cb 1.60 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2d89 h LYS 66 CO -0.30 -0.09 -0.08 1.49 -2.27 0.00 0.00 179.45 178.20 2d89 h GLU 67 N -0.92 -0.14 -0.72 1.90 4.57 -1.89 0.17 114.58 117.56 2d89 h GLU 67 Ca -0.04 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.42 2d89 h GLU 67 Cb 0.52 0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 29.01 2d89 h GLU 67 CO 0.07 -0.09 0.29 0.09 -1.18 0.00 0.00 179.01 178.19 2d89 n ASN 68 N -2.79 0.16 0.02 1.04 3.02 -1.25 0.98 115.26 116.44 2d89 n ASN 68 Ca -0.02 1.20 -0.12 0.00 -0.03 0.00 0.00 54.58 55.62 2d89 n ASN 68 Cb 0.07 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 38.61 2d89 n ASN 68 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2d89 h ASN 69 N 0.00 -0.11 -0.49 6.41 2.35 -1.34 -3.16 115.58 119.24 2d89 h ASN 69 Ca 0.56 -0.47 0.09 0.00 -0.55 0.00 0.00 56.30 55.94 2d89 h ASN 69 Cb 1.42 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.74 2d89 h ASN 69 CO -0.59 0.48 0.02 0.50 -1.65 0.00 0.00 177.43 176.20 2d89 h LYS 70 N -0.79 0.14 -0.72 0.81 1.63 0.36 -1.15 116.57 116.85 2d89 h LYS 70 Ca -0.01 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 59.93 2d89 h LYS 70 Cb 0.57 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.07 2d89 h LYS 70 CO 0.02 0.09 0.20 0.87 -3.45 0.00 0.00 179.45 177.18 2d89 h LYS 71 N 0.14 0.30 0.27 1.90 1.57 -0.67 -0.88 116.57 119.21 2d89 h LYS 71 Ca 0.25 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2d89 h LYS 71 Cb 0.36 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2d89 h LYS 71 CO -0.39 0.20 -0.13 0.00 -0.57 0.00 0.00 179.45 178.57 2d89 h ALA 72 N 1.57 -1.05 -1.53 3.86 0.00 -1.19 -2.28 119.26 118.65 2d89 h ALA 72 Ca 0.40 -0.08 0.46 0.00 0.00 0.00 0.00 54.91 55.69 2d89 h ALA 72 Cb 0.65 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 2d89 h ALA 72 CO -0.46 -1.02 1.07 1.88 0.00 0.00 0.00 179.25 180.71 2d89 h TYR 73 N -0.37 0.20 -0.37 0.00 0.05 -1.19 1.04 116.97 116.34 2d89 h TYR 73 Ca -0.04 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 2d89 h TYR 73 Cb 0.27 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2d89 h TYR 73 CO 0.16 -0.06 -0.14 -0.44 -1.05 0.00 0.00 178.16 176.63 2d89 h ASP 74 N 0.05 0.76 0.00 3.88 3.32 -0.90 -1.92 116.42 121.61 2d89 h ASP 74 Ca 0.79 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 2d89 h ASP 74 Cb 2.91 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 42.25 2d89 h ASP 74 CO -0.15 0.98 -0.00 1.23 -1.72 0.00 0.00 179.24 179.58 2d89 h GLY 75 N 0.53 -0.00 0.22 2.75 0.00 0.16 -3.07 103.07 103.66 2d89 h GLY 75 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2d89 h GLY 75 CO 0.05 -0.00 -0.26 0.74 0.00 0.00 0.00 176.54 177.07 2d89 h PHE 76 N -1.00 -0.68 0.00 5.60 0.04 -0.85 0.32 116.94 120.37 2d89 h PHE 76 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2d89 h PHE 76 Cb 0.51 0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2d89 h PHE 76 CO 0.14 -0.33 0.00 0.00 -0.60 0.00 0.00 178.31 177.52 2d89 n ALA 77 N -2.77 1.49 0.03 2.45 0.00 -0.72 -2.16 120.51 118.83 2d89 n ALA 77 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 2d89 n ALA 77 Cb 0.29 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.63 2d89 n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d89 h SER 78 N 0.00 0.56 1.27 0.00 0.87 -0.25 -3.16 113.55 112.83 2d89 h SER 78 Ca 0.00 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 2d89 h SER 78 Cb 0.12 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2d89 h SER 78 CO 0.00 1.08 -0.77 0.16 -0.53 0.00 0.00 176.83 176.77 2d89 h ILE 79 N 0.35 0.50 0.00 2.23 3.07 -1.40 -3.47 117.51 118.79 2d89 h ILE 79 Ca -0.02 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.60 2d89 h ILE 79 Cb 1.24 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.90 2d89 h ILE 79 CO 0.12 0.29 0.00 0.61 -1.05 0.00 0.00 178.15 178.12 2d89 n GLY 80 N 1.25 0.75 3.32 0.16 0.00 -1.19 -5.11 105.19 104.38 2d89 n GLY 80 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 2d89 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d89 s ILE 81 N -0.75 5.35 0.22 -0.61 1.01 -1.04 -4.98 121.20 120.39 2d89 s ILE 81 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 60.65 58.49 2d89 s ILE 81 Cb 0.00 -4.41 -0.16 0.00 0.01 0.00 0.00 42.46 37.90 2d89 s ILE 81 CO 0.00 -0.95 0.78 -1.20 0.00 0.00 0.00 174.94 173.57 2d89 n SER 82 N 4.81 -0.07 -4.70 3.58 7.64 -1.26 -3.40 113.62 120.22 2d89 n SER 82 Ca -0.02 1.15 -0.39 0.00 1.01 0.00 0.00 58.87 60.61 2d89 n SER 82 Cb 0.43 -1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 2d89 n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d89 s ARG 83 N -1.07 4.37 -0.09 1.43 3.03 -1.26 -4.93 118.95 120.43 2d89 s ARG 83 Ca 0.65 0.75 0.00 0.00 2.03 0.00 0.00 55.73 59.16 2d89 s ARG 83 Cb -0.86 -3.48 -0.06 0.00 -1.03 0.00 0.00 34.95 29.52 2d89 s ARG 83 CO 0.57 0.01 -0.08 1.28 -1.13 0.00 0.00 175.30 175.94 2d89 n LEU 84 N 4.08 2.87 -4.91 -1.89 4.77 -1.26 -5.03 117.00 115.62 2d89 n LEU 84 Ca -0.02 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 2d89 n LEU 84 Cb 0.51 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2d89 n LEU 84 CO 0.46 0.63 -0.00 -0.22 -1.33 0.00 0.00 177.39 176.92 2d89 s LEU 85 N -5.57 4.27 0.03 2.23 2.96 -1.26 -5.09 118.68 116.25 2d89 s LEU 85 Ca -0.12 0.50 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 2d89 s LEU 85 Cb 0.03 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 2d89 s LEU 85 CO 0.20 0.05 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.61 2d89 s GLU 86 N -2.78 2.48 0.09 1.98 0.41 -1.26 -5.02 118.70 114.60 2d89 s GLU 86 Ca 0.39 -0.79 -0.16 0.00 -0.41 0.00 0.00 54.97 54.01 2d89 s GLU 86 Cb -0.12 -2.48 -0.09 0.00 -1.78 0.00 0.00 34.13 29.66 2d89 s GLU 86 CO 0.26 0.58 1.41 -1.00 -0.49 0.00 0.00 175.26 176.02 2d89 h PRO 87 N 4.20 0.65 0.28 0.39 0.13 -1.89 -3.28 132.00 132.48 2d89 h PRO 87 Ca -0.48 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.29 2d89 h PRO 87 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2d89 h PRO 87 CO 0.54 0.95 -0.14 0.66 -0.23 0.00 0.00 178.00 179.79 2d89 h SER 88 N 0.38 -0.32 -0.89 1.44 4.64 -1.91 -3.11 113.55 113.77 2d89 h SER 88 Ca 0.04 -0.05 0.12 0.00 -0.47 0.00 0.00 61.79 61.43 2d89 h SER 88 Cb 0.83 0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 62.87 2d89 h SER 88 CO 0.07 -0.16 -0.40 0.47 -0.87 0.00 0.00 176.83 175.94 2d89 n ASP 89 N -5.22 -0.68 -0.33 4.97 8.00 -1.24 0.14 116.55 122.20 2d89 n ASP 89 Ca -0.10 1.56 0.26 0.00 0.71 0.00 0.00 54.79 57.23 2d89 n ASP 89 Cb 0.20 -0.31 0.50 0.00 -0.02 0.00 0.00 41.12 41.48 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2d89 h MET 90 N 0.00 0.16 0.18 -1.24 2.86 -1.60 0.34 114.93 115.63 2d89 h MET 90 Ca 0.26 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 57.63 2d89 h MET 90 Cb 0.49 -0.04 0.03 0.00 0.06 0.00 0.00 31.60 32.14 2d89 h MET 90 CO -0.87 0.10 -1.16 0.28 1.06 0.00 0.00 176.91 176.32 2d89 h VAL 91 N 0.16 1.38 -0.52 -2.22 2.07 0.12 -3.26 116.25 113.98 2d89 h VAL 91 Ca 0.76 -2.58 0.15 0.00 0.82 0.00 0.00 66.70 65.85 2d89 h VAL 91 Cb 1.84 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 34.63 2d89 h VAL 91 CO -0.70 0.76 0.46 -0.07 0.02 0.00 0.00 177.57 178.04 2d89 h LEU 92 N -0.04 0.00 0.00 2.57 3.38 0.18 -3.42 115.31 117.98 2d89 h LEU 92 Ca -0.20 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.47 2d89 h LEU 92 Cb 1.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.59 2d89 h LEU 92 CO 0.22 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.51 2d89 n LEU 93 N -3.96 0.00 -0.03 1.67 -0.00 -0.37 -5.07 117.00 109.23 2d89 n LEU 93 Ca 0.10 -1.61 -0.02 0.00 -0.00 0.00 0.00 56.01 54.47 2d89 n LEU 93 Cb 0.67 0.42 -0.01 0.00 -0.00 0.00 0.00 43.42 44.51 2d89 n LEU 93 CO 0.32 -0.24 -0.18 0.00 -0.00 0.00 0.00 177.39 177.28 2d89 n ALA 94 N -2.06 0.24 -2.95 1.47 0.00 -1.26 -4.82 120.51 111.13 2d89 n ALA 94 Ca -0.09 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.65 2d89 n ALA 94 Cb 0.32 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 2d89 n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d89 s ILE 95 N -1.54 4.21 1.07 0.00 -1.09 -1.26 -4.97 121.20 117.61 2d89 s ILE 95 Ca -0.08 -0.24 -0.18 0.00 -2.23 0.00 0.00 60.65 57.93 2d89 s ILE 95 Cb 0.01 -2.88 0.27 0.00 -1.58 0.00 0.00 42.46 38.27 2d89 s ILE 95 CO 0.11 0.46 0.95 -0.81 -1.23 0.00 0.00 174.94 174.42 2d89 n PRO 96 N 3.79 -2.88 -3.11 2.79 -0.04 -1.26 -4.98 135.00 129.31 2d89 n PRO 96 Ca -0.17 -1.52 -0.43 0.00 -0.04 0.00 0.00 63.50 61.34 2d89 n PRO 96 Cb 0.52 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2d89 n PRO 96 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2d89 s ASP 97 N -4.07 6.27 0.28 3.54 1.01 -1.26 -4.93 116.67 117.51 2d89 s ASP 97 Ca 0.62 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.25 2d89 s ASP 97 Cb -0.06 -2.32 0.64 0.00 1.01 0.00 0.00 42.92 42.19 2d89 s ASP 97 CO 0.47 -0.88 1.69 0.50 0.21 0.00 0.00 175.17 177.16 2d89 h LYS 98 N 8.98 0.35 -0.11 8.23 3.64 -1.94 0.11 116.57 135.83 2d89 h LYS 98 Ca -0.27 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2d89 h LYS 98 Cb 1.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2d89 h LYS 98 CO 0.95 0.23 0.07 -0.07 -2.27 0.00 0.00 179.45 178.36 2d89 h LEU 99 N 0.36 0.13 0.67 5.20 3.38 -1.95 -1.77 115.31 121.33 2d89 h LEU 99 Ca 0.51 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.44 2d89 h LEU 99 Cb 0.94 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2d89 h LEU 99 CO -0.53 0.10 -0.32 0.74 0.09 0.00 0.00 178.44 178.52 2d89 h THR 100 N 0.15 0.00 -0.55 0.22 2.02 -1.46 -2.49 112.91 110.80 2d89 h THR 100 Ca 0.04 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2d89 h THR 100 Cb -0.01 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.32 2d89 h THR 100 CO -0.01 0.00 -0.44 0.58 0.37 0.00 0.00 175.52 176.03 2d89 h VAL 101 N -0.99 0.00 -0.84 3.16 2.07 -0.90 0.12 116.25 118.87 2d89 h VAL 101 Ca -0.09 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.63 2d89 h VAL 101 Cb 0.69 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.31 2d89 h VAL 101 CO 0.15 0.00 0.02 0.24 0.02 0.00 0.00 177.57 178.01 2d89 h MET 102 N -0.14 0.09 -0.15 1.57 2.07 -1.38 0.50 114.93 117.49 2d89 h MET 102 Ca 0.09 -0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.77 2d89 h MET 102 Cb 0.37 -0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.02 2d89 h MET 102 CO -0.59 0.06 -0.26 1.15 1.07 0.00 0.00 176.91 178.34 2d89 h THR 103 N 0.09 0.38 -0.41 2.22 2.02 -0.31 -0.72 112.91 116.19 2d89 h THR 103 Ca 0.48 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.67 2d89 h THR 103 Cb 0.89 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2d89 h THR 103 CO -0.74 0.00 0.25 0.22 0.37 0.00 0.00 175.52 175.62 2d89 h TYR 104 N -0.31 0.48 0.05 3.16 3.20 -0.24 -2.99 116.97 120.32 2d89 h TYR 104 Ca 0.11 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.02 2d89 h TYR 104 Cb 0.48 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2d89 h TYR 104 CO -0.37 0.28 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.98 2d89 h LEU 105 N 0.51 -1.17 -0.98 2.82 3.38 -0.47 -1.53 115.31 117.88 2d89 h LEU 105 Ca 0.16 0.14 0.33 0.00 0.09 0.00 0.00 57.88 58.60 2d89 h LEU 105 Cb -0.01 0.45 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 2d89 h LEU 105 CO -0.06 -0.45 0.31 1.88 0.09 0.00 0.00 178.44 180.20 2d89 h TYR 106 N -0.58 0.44 0.38 1.13 0.05 -1.00 0.68 116.97 118.07 2d89 h TYR 106 Ca 0.04 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2d89 h TYR 106 Cb 0.64 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.32 2d89 h TYR 106 CO -0.38 -0.39 -0.51 1.96 -1.05 0.00 0.00 178.16 177.79 2d89 h GLN 107 N 0.07 -0.89 -0.14 4.88 1.08 -1.22 0.16 115.11 119.04 2d89 h GLN 107 Ca 0.70 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 58.01 2d89 h GLN 107 Cb 1.65 0.20 -0.07 0.00 -0.05 0.00 0.00 27.48 29.22 2d89 h GLN 107 CO -0.80 -0.60 -0.36 0.82 -0.95 0.00 0.00 178.83 176.95 2d89 h ILE 108 N -0.93 0.23 -0.74 2.54 5.03 -0.80 0.13 117.51 122.96 2d89 h ILE 108 Ca -0.05 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.84 2d89 h ILE 108 Cb 0.84 0.23 -0.05 0.00 -3.03 0.00 0.00 36.82 34.80 2d89 h ILE 108 CO -0.13 0.00 0.50 -0.09 -0.68 0.00 0.00 178.15 177.75 2d89 h ARG 109 N -0.43 0.39 -0.13 2.37 2.43 -1.20 -1.47 114.38 116.34 2d89 h ARG 109 Ca 0.09 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2d89 h ARG 109 Cb 0.58 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2d89 h ARG 109 CO -0.38 0.26 -0.16 0.00 -1.51 0.00 0.00 179.97 178.18 2d89 h ALA 110 N 1.65 0.20 -0.04 2.80 0.00 0.13 -1.35 119.26 122.65 2d89 h ALA 110 Ca 0.36 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2d89 h ALA 110 Cb 0.85 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2d89 h ALA 110 CO -0.11 0.09 -0.42 1.25 0.00 0.00 0.00 179.25 180.05 2d89 h HIS 111 N -0.06 -1.26 -0.50 0.00 -0.00 0.24 -1.97 115.15 111.61 2d89 h HIS 111 Ca 0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2d89 h HIS 111 Cb 0.70 0.55 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 2d89 h HIS 111 CO 0.09 -0.44 0.30 0.74 -0.00 0.00 0.00 177.93 178.62 2d89 h PHE 112 N -0.50 0.67 -3.51 5.26 0.04 -1.60 -3.36 116.94 113.94 2d89 h PHE 112 Ca 0.02 -0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.09 2d89 h PHE 112 Cb 0.55 -0.22 -0.36 0.00 2.20 0.00 0.00 35.95 38.13 2d89 h PHE 112 CO -0.51 0.47 -0.49 0.45 -0.60 0.00 0.00 178.31 177.63 2d89 s SER 113 N -5.75 5.12 0.66 2.17 0.15 -0.51 -5.09 113.70 110.46 2d89 s SER 113 Ca -0.13 -2.50 -0.17 0.00 0.70 0.00 0.00 55.95 53.85 2d89 s SER 113 Cb 0.12 -1.81 -0.13 0.00 -1.71 0.00 0.00 66.02 62.49 2d89 s SER 113 CO 0.75 -0.43 -0.14 -0.24 1.20 0.00 0.00 173.24 174.38 2d89 n SER 114 N 3.94 -3.68 0.00 5.45 2.88 -0.79 -4.16 113.62 117.26 2d89 n SER 114 Ca 0.03 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2d89 n SER 114 Cb 0.39 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2d89 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d89 n GLY 115 N 2.56 -2.14 3.75 0.46 0.00 -1.26 -4.99 105.19 103.57 2d89 n GLY 115 Ca 0.06 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.45 2d89 n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 116 N 0.00 4.44 -0.55 1.61 0.04 -1.26 -4.69 135.00 134.59 2d89 s PRO 116 Ca 0.00 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.13 2d89 s PRO 116 Cb 0.00 -3.15 0.15 0.00 0.04 0.00 0.00 34.50 31.54 2d89 s PRO 116 CO 0.00 -0.12 0.36 0.45 0.04 0.00 0.00 177.00 177.72 2d89 s SER 117 N -0.22 3.80 0.22 6.66 0.15 -1.26 -5.05 113.70 118.00 2d89 s SER 117 Ca 0.51 -3.22 -0.29 0.00 0.70 0.00 0.00 55.95 53.64 2d89 s SER 117 Cb -0.36 -1.24 -0.09 0.00 -1.71 0.00 0.00 66.02 62.61 2d89 s SER 117 CO 0.44 -0.18 0.92 -0.44 1.20 0.00 0.00 173.24 175.19 2d89 s SER 118 N -0.48 7.61 0.00 5.45 0.01 -1.26 -5.12 113.70 119.91 2d89 s SER 118 Ca 0.23 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.39 2d89 s SER 118 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2d89 s SER 118 CO -0.10 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.31