#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d89 n SER 2 N 0.00 -0.86 -4.75 1.61 3.41 -1.26 -4.87 113.62 106.90 2d89 n SER 2 Ca 0.00 -1.06 -0.35 0.00 -0.26 0.00 0.00 58.87 57.19 2d89 n SER 2 Cb 0.00 -1.35 -0.08 0.00 -0.26 0.00 0.00 64.21 62.52 2d89 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d89 s SER 3 N -3.27 6.06 -0.16 4.04 0.01 -1.26 -5.06 113.70 114.06 2d89 s SER 3 Ca 0.50 0.26 -0.29 0.00 1.31 0.00 0.00 55.95 57.73 2d89 s SER 3 Cb -0.29 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 2d89 s SER 3 CO 0.86 0.26 1.22 -0.83 0.41 0.00 0.00 173.24 175.16 2d89 s GLY 4 N -0.11 1.73 -0.66 3.44 0.00 -1.26 -4.92 107.32 105.53 2d89 s GLY 4 Ca 0.09 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.24 2d89 s GLY 4 CO 0.00 2.41 2.18 1.44 0.00 0.00 0.00 173.10 179.14 2d89 n SER 5 N 6.35 7.25 -4.11 1.64 7.64 -1.26 -4.92 113.62 126.20 2d89 n SER 5 Ca 0.13 -3.61 -0.17 0.00 1.01 0.00 0.00 58.87 56.23 2d89 n SER 5 Cb 0.45 -1.08 -0.12 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.85 1.33 0.00 6.43 0.01 -1.26 -5.00 113.70 114.37 2d89 s SER 6 Ca 0.55 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2d89 s SER 6 Cb 0.43 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2d89 s SER 6 CO -0.22 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2d89 n GLY 7 N 1.64 0.59 0.00 3.44 0.00 -1.26 -4.97 105.19 104.63 2d89 n GLY 7 Ca -0.20 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.28 2d89 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d89 n PRO 8 N -0.05 0.01 -1.47 1.61 -0.04 -1.26 -4.69 135.00 129.11 2d89 n PRO 8 Ca 0.00 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.58 2d89 n PRO 8 Cb 0.00 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 31.83 2d89 n PRO 8 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2d89 n ASN 9 N -1.52 0.17 -3.63 3.54 4.13 -1.26 -4.72 115.26 111.96 2d89 n ASN 9 Ca 0.03 -1.34 -0.07 0.00 1.68 0.00 0.00 54.58 54.89 2d89 n ASN 9 Cb 0.17 -1.17 -0.06 0.00 -1.54 0.00 0.00 39.78 37.18 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2d89 s ALA 10 N 8.55 -2.06 -0.71 5.41 0.00 -1.26 -5.01 121.76 126.68 2d89 s ALA 10 Ca 0.92 1.76 0.03 0.00 0.00 0.00 0.00 51.96 54.67 2d89 s ALA 10 Cb -0.33 -1.42 0.19 0.00 0.00 0.00 0.00 23.12 21.56 2d89 s ALA 10 CO 0.25 -0.21 0.86 -1.13 0.00 0.00 0.00 175.76 175.53 2d89 n SER 11 N 1.53 2.29 -0.00 0.00 3.41 -1.26 -3.60 113.62 115.99 2d89 n SER 11 Ca -0.10 -2.25 -0.01 0.00 -0.26 0.00 0.00 58.87 56.26 2d89 n SER 11 Cb 0.57 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2d89 n SER 11 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2d89 n GLN 12 N 0.14 0.25 -0.27 4.33 7.27 -1.26 -4.65 117.38 123.19 2d89 n GLN 12 Ca 0.08 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.23 2d89 n GLN 12 Cb 0.52 -1.02 0.22 0.00 2.41 0.00 0.00 30.24 32.38 2d89 n GLN 12 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2d89 h SER 13 N 0.00 0.18 0.05 1.69 0.02 -1.85 -2.34 113.55 111.29 2d89 h SER 13 Ca -0.02 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2d89 h SER 13 Cb 1.03 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2d89 h SER 13 CO -0.00 0.01 -0.03 0.25 -1.14 0.00 0.00 176.83 175.92 2d89 h LEU 14 N 0.36 -0.08 -1.21 5.07 5.85 -1.85 0.45 115.31 123.90 2d89 h LEU 14 Ca 0.46 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.54 2d89 h LEU 14 Cb 0.80 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2d89 h LEU 14 CO -0.49 -0.04 1.26 -0.11 -0.34 0.00 0.00 178.44 178.71 2d89 n LEU 15 N -2.33 0.00 0.02 2.25 7.94 -1.06 0.22 117.00 124.04 2d89 n LEU 15 Ca -0.01 0.80 -0.20 0.00 -1.11 0.00 0.00 56.01 55.49 2d89 n LEU 15 Cb 0.03 -0.30 -0.14 0.00 0.53 0.00 0.00 43.42 43.54 2d89 n LEU 15 CO 0.02 -0.80 -0.68 0.58 -1.11 0.00 0.00 177.39 175.40 2d89 h VAL 16 N 0.00 0.76 -1.00 1.96 2.07 -0.85 -3.07 116.25 116.12 2d89 h VAL 16 Ca 0.57 -2.46 0.08 0.00 0.82 0.00 0.00 66.70 65.72 2d89 h VAL 16 Cb 3.08 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 35.35 2d89 h VAL 16 CO -0.01 0.84 0.64 -0.25 0.02 0.00 0.00 177.57 178.81 2d89 h TRP 17 N 0.07 1.18 0.07 1.57 7.01 0.74 0.33 115.95 126.92 2d89 h TRP 17 Ca -0.38 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.65 2d89 h TRP 17 Cb 2.04 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 28.72 2d89 h TRP 17 CO 0.07 0.57 -0.04 0.00 -2.79 0.00 0.00 178.44 176.26 2d89 h LYS 19 N -0.94 0.00 0.07 0.00 1.57 -1.42 -0.38 116.57 115.46 2d89 h LYS 19 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2d89 h LYS 19 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2d89 h LYS 19 CO 0.02 0.00 -0.03 1.49 -0.57 0.00 0.00 179.45 180.35 2d89 h GLU 20 N 0.00 -0.09 0.00 3.15 4.81 -0.38 -2.90 114.58 119.18 2d89 h GLU 20 Ca 0.03 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2d89 h GLU 20 Cb 0.31 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2d89 h GLU 20 CO -0.00 0.24 -0.03 -0.39 -0.73 0.00 0.00 179.01 178.10 2d89 h VAL 21 N -0.99 0.33 -0.56 0.32 -1.51 -1.13 -0.60 116.25 112.11 2d89 h VAL 21 Ca -0.01 -0.16 -0.05 0.00 -1.23 0.00 0.00 66.70 65.25 2d89 h VAL 21 Cb 0.37 1.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.61 2d89 h VAL 21 CO 0.02 0.03 0.06 0.35 -1.23 0.00 0.00 177.57 176.79 2d89 n THR 22 N -3.50 2.74 -1.64 7.19 -2.24 -0.19 -4.75 114.28 111.89 2d89 n THR 22 Ca -0.02 -1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 59.77 2d89 n THR 22 Cb 0.13 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 2d89 n THR 22 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2d89 n LYS 23 N 0.24 2.56 -2.84 -0.78 5.02 -0.24 -2.34 118.16 119.79 2d89 n LYS 23 Ca 0.30 0.89 -0.11 0.00 -2.02 0.00 0.00 58.31 57.37 2d89 n LYS 23 Cb 1.20 -3.05 0.05 0.00 -0.02 0.00 0.00 35.03 33.22 2d89 n LYS 23 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2d89 n ASN 24 N 8.66 -3.08 -4.84 4.39 3.02 -1.26 -5.05 115.26 117.09 2d89 n ASN 24 Ca 0.23 -0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 54.06 2d89 n ASN 24 Cb 0.41 -3.56 -0.02 0.00 -0.61 0.00 0.00 39.78 36.00 2d89 n ASN 24 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2d89 n TYR 25 N -2.91 0.04 -2.15 3.10 4.02 -0.99 -5.06 117.16 113.21 2d89 n TYR 25 Ca -0.14 -2.44 -0.42 0.00 -0.01 0.00 0.00 57.90 54.89 2d89 n TYR 25 Cb 0.60 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 2d89 n TYR 25 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2d89 s ARG 26 N -4.16 3.24 -0.58 -0.72 6.06 -1.26 -4.14 118.95 117.38 2d89 s ARG 26 Ca 0.21 0.99 -0.10 0.00 -2.50 0.00 0.00 55.73 54.33 2d89 s ARG 26 Cb -0.02 -4.19 0.02 0.00 0.06 0.00 0.00 34.95 30.82 2d89 s ARG 26 CO 0.13 -1.99 0.51 0.41 -2.50 0.00 0.00 175.30 171.87 2d89 n GLY 27 N 5.37 -0.69 2.88 8.12 0.00 -1.26 -4.92 105.19 114.68 2d89 n GLY 27 Ca 0.19 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.31 2.01 -0.32 1.61 1.01 -1.26 -4.95 120.40 116.19 2d89 s VAL 28 Ca 0.10 -2.68 0.03 0.00 0.00 0.00 0.00 61.98 59.43 2d89 s VAL 28 Cb -0.01 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 34.04 2d89 s VAL 28 CO 0.73 -0.77 0.04 -0.75 0.00 0.00 0.00 175.10 174.36 2d89 s LYS 29 N 0.36 1.41 -1.33 2.72 2.47 -1.26 -4.92 119.74 119.20 2d89 s LYS 29 Ca 0.15 -1.66 -0.10 0.00 -1.56 0.00 0.00 55.97 52.81 2d89 s LYS 29 Cb -0.23 -2.95 0.13 0.00 -1.46 0.00 0.00 37.83 33.32 2d89 s LYS 29 CO -0.04 -0.90 2.05 -0.89 0.16 0.00 0.00 175.35 175.72 2d89 n ILE 30 N 4.39 4.31 0.66 5.43 -0.00 -1.26 -4.64 119.36 128.24 2d89 n ILE 30 Ca 0.01 -4.08 0.13 0.00 -0.00 0.00 0.00 62.75 58.81 2d89 n ILE 30 Cb 0.42 -2.37 0.42 0.00 -0.00 0.00 0.00 39.64 38.11 2d89 n ILE 30 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2d89 n THR 31 N 3.43 0.55 -4.01 1.39 -1.04 -1.26 -4.91 114.28 108.44 2d89 n THR 31 Ca 0.46 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 62.09 2d89 n THR 31 Cb 0.35 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.25 2d89 n THR 31 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2d89 s ASN 32 N -4.41 0.52 -0.30 8.00 0.01 -1.26 -5.06 114.94 112.44 2d89 s ASN 32 Ca 0.11 -1.30 0.08 0.00 -0.71 0.00 0.00 52.86 51.03 2d89 s ASN 32 Cb 0.13 0.70 0.46 0.00 0.41 0.00 0.00 41.25 42.94 2d89 s ASN 32 CO 0.59 -1.37 1.34 0.49 -1.51 0.00 0.00 177.10 176.64 2d89 n PHE 33 N -0.52 1.54 0.00 2.20 3.72 -1.26 -4.49 117.46 118.65 2d89 n PHE 33 Ca -0.02 -1.91 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 2d89 n PHE 33 Cb 0.61 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.96 0.00 0.01 4.37 -2.24 -1.26 -4.17 114.28 110.02 2d89 n THR 34 Ca 0.35 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.03 2d89 n THR 34 Cb 0.88 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.00 1.06 -1.11 4.28 1.35 -1.92 -0.14 112.91 116.43 2d89 h THR 35 Ca 0.00 -1.42 0.32 0.00 -0.55 0.00 0.00 66.41 64.77 2d89 h THR 35 Cb 0.00 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 2d89 h THR 35 CO 0.00 0.30 1.23 -1.20 -0.25 0.00 0.00 175.52 175.60 2d89 n SER 36 N -4.82 0.00 -0.04 5.36 7.64 -1.26 0.20 113.62 120.69 2d89 n SER 36 Ca -0.08 0.77 -0.01 0.00 1.01 0.00 0.00 58.87 60.56 2d89 n SER 36 Cb 0.29 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 2d89 n SER 36 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2d89 n TRP 37 N -3.28 0.00 -0.34 1.43 7.02 -1.22 -4.36 117.44 116.70 2d89 n TRP 37 Ca 0.25 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.70 2d89 n TRP 37 Cb 1.56 -0.52 -0.00 0.00 -2.42 0.00 0.00 31.31 29.94 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 -2.29 -0.25 0.32 -0.99 0.63 0.53 -0.60 116.66 114.01 2d89 n ARG 38 Ca -0.14 1.30 -0.18 0.00 -0.92 0.00 0.00 57.85 57.91 2d89 n ARG 38 Cb 0.71 -1.93 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 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 -1.16 0.00 6.15 -1.07 -1.81 -3.46 115.58 114.22 2d89 h ASN 39 Ca 0.25 0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.70 2d89 h ASN 39 Cb 0.46 0.37 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 2d89 h ASN 39 CO -0.83 -0.63 0.00 0.61 0.07 0.00 0.00 177.43 176.65 2d89 n GLY 40 N -1.55 0.49 0.17 9.14 0.00 0.23 -3.91 105.19 109.76 2d89 n GLY 40 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.47 -0.69 0.99 3.38 -1.81 -2.12 115.31 114.59 2d89 h LEU 41 Ca 0.00 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.14 2d89 h LEU 41 Cb 0.00 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 2d89 h LEU 41 CO 0.00 -0.22 -0.25 0.28 0.09 0.00 0.00 178.44 178.34 2d89 h SER 42 N -0.34 -0.90 -0.75 -0.43 0.02 -1.91 0.35 113.55 109.59 2d89 h SER 42 Ca -0.02 0.23 0.17 0.00 -0.84 0.00 0.00 61.79 61.32 2d89 h SER 42 Cb 0.29 0.51 -0.13 0.00 0.14 0.00 0.00 62.40 63.21 2d89 h SER 42 CO -0.02 -0.27 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.13 2d89 h PHE 43 N -0.06 -0.09 0.28 3.45 0.04 -1.86 0.10 116.94 118.80 2d89 h PHE 43 Ca 0.30 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 2d89 h PHE 43 Cb 0.54 0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.85 2d89 h PHE 43 CO -0.62 -0.25 -0.14 0.00 -0.60 0.00 0.00 178.31 176.71 2d89 h ALA 45 N -0.88 1.14 0.16 0.00 0.00 -0.02 0.38 119.26 120.04 2d89 h ALA 45 Ca -0.04 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2d89 h ALA 45 Cb 0.40 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2d89 h ALA 45 CO 0.06 -0.56 -0.25 0.82 0.00 0.00 0.00 179.25 179.33 2d89 h ILE 46 N 0.01 0.46 0.00 0.00 2.04 -0.89 0.86 117.51 119.98 2d89 h ILE 46 Ca 0.59 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.43 2d89 h ILE 46 Cb 1.20 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2d89 h ILE 46 CO -0.92 0.00 -0.10 0.25 0.00 0.00 0.00 178.15 177.38 2d89 h LEU 47 N -0.47 0.00 0.00 1.44 5.85 -0.56 -1.58 115.31 120.00 2d89 h LEU 47 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2d89 h LEU 47 Cb 0.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2d89 h LEU 47 CO -0.12 0.10 -0.09 -0.74 -0.34 0.00 0.00 178.44 177.26 2d89 h HIS 48 N 0.00 0.00 -0.23 1.25 2.76 0.69 -2.42 115.15 117.20 2d89 h HIS 48 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2d89 h HIS 48 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2d89 h HIS 48 CO 0.00 0.06 0.07 1.25 -1.30 0.00 0.00 177.93 178.01 2d89 h HIS 49 N 0.00 0.38 0.14 5.26 -0.00 0.18 -2.41 115.15 118.71 2d89 h HIS 49 Ca -0.00 -0.04 -0.25 0.00 -0.00 0.00 0.00 60.37 60.08 2d89 h HIS 49 Cb 1.04 -0.11 0.01 0.00 -0.00 0.00 0.00 27.41 28.36 2d89 h HIS 49 CO 0.00 0.44 -1.20 0.74 -0.00 0.00 0.00 177.93 177.91 2d89 h PHE 50 N 0.21 0.55 -2.96 5.26 -1.00 -1.64 -3.43 116.94 113.94 2d89 h PHE 50 Ca 0.08 -0.40 -0.60 0.00 2.81 0.00 0.00 57.97 59.86 2d89 h PHE 50 Cb 0.24 -0.02 -0.40 0.00 3.61 0.00 0.00 35.95 39.38 2d89 h PHE 50 CO 0.00 1.46 -0.76 0.50 -1.61 0.00 0.00 178.31 177.90 2d89 s ARG 51 N -2.47 0.97 0.00 1.51 6.06 -0.91 -4.96 118.95 119.14 2d89 s ARG 51 Ca -0.16 -1.59 0.15 0.00 -2.50 0.00 0.00 55.73 51.63 2d89 s ARG 51 Cb 0.03 -2.02 0.70 0.00 0.06 0.00 0.00 34.95 33.72 2d89 s ARG 51 CO 0.81 -1.12 1.42 -0.35 -2.50 0.00 0.00 175.30 173.57 2d89 n PRO 52 N 4.04 0.15 0.02 5.12 -0.04 -0.91 -2.01 135.00 141.37 2d89 n PRO 52 Ca 0.06 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2d89 n PRO 52 Cb 0.37 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 2d89 n PRO 52 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2d89 n ASP 53 N -1.35 0.46 -0.10 3.54 5.75 -1.26 -4.24 116.55 119.34 2d89 n ASP 53 Ca 0.06 -0.17 -0.09 0.00 -0.01 0.00 0.00 54.79 54.57 2d89 n ASP 53 Cb 0.13 1.26 0.06 0.00 -1.03 0.00 0.00 41.12 41.54 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2d89 h LEU 54 N 0.00 0.85 0.00 -2.12 3.38 -1.73 -3.46 115.31 112.24 2d89 h LEU 54 Ca 0.00 -0.33 -0.50 0.00 0.09 0.00 0.00 57.88 57.14 2d89 h LEU 54 Cb 0.84 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 2d89 h LEU 54 CO 0.00 1.06 -0.36 -0.38 0.09 0.00 0.00 178.44 178.85 2d89 n ILE 55 N -4.10 0.00 -1.37 1.22 -0.00 -1.26 -4.86 119.36 108.99 2d89 n ILE 55 Ca -0.00 -1.83 0.01 0.00 -0.00 0.00 0.00 62.75 60.93 2d89 n ILE 55 Cb 0.46 0.38 0.20 0.00 -0.00 0.00 0.00 39.64 40.69 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 -1.26 2.53 0.29 4.38 8.00 -1.26 -4.71 116.55 124.53 2d89 n ASP 56 Ca -0.15 -3.62 0.14 0.00 0.71 0.00 0.00 54.79 51.86 2d89 n ASP 56 Cb 0.49 -0.58 0.74 0.00 -0.02 0.00 0.00 41.12 41.74 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2d89 h TYR 57 N 1.02 0.00 0.00 1.24 5.03 -1.93 0.21 116.97 122.54 2d89 h TYR 57 Ca 0.13 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 2d89 h TYR 57 Cb 1.45 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.72 2d89 h TYR 57 CO 0.81 0.00 -0.09 1.57 -1.32 0.00 0.00 178.16 179.13 2d89 h LYS 58 N 0.00 0.00 -0.07 1.82 2.10 -1.88 -2.97 116.57 115.58 2d89 h LYS 58 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 2d89 h LYS 58 Cb 0.59 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 31.62 2d89 h LYS 58 CO 0.00 0.09 -0.91 0.45 -2.00 0.00 0.00 179.45 177.08 2d89 n SER 59 N -3.71 1.37 -3.24 7.07 2.88 0.70 -5.09 113.62 113.60 2d89 n SER 59 Ca -0.02 -2.54 -0.11 0.00 -1.33 0.00 0.00 58.87 54.87 2d89 n SER 59 Cb 0.20 -0.38 0.06 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.05 0.00 -3.56 2.46 4.77 -1.00 -5.10 117.00 114.52 2d89 n LEU 60 Ca 0.11 -1.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.01 2d89 n LEU 60 Cb 1.00 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 2d89 n LEU 60 CO -0.01 -0.75 0.88 0.20 -1.33 0.00 0.00 177.39 176.38 2d89 s ASN 61 N -3.01 -0.23 0.00 -1.43 0.02 -1.26 -5.01 114.94 104.02 2d89 s ASN 61 Ca 0.33 0.01 0.10 0.00 -1.02 0.00 0.00 52.86 52.28 2d89 s ASN 61 Cb -0.02 0.24 0.61 0.00 0.02 0.00 0.00 41.25 42.10 2d89 s ASN 61 CO 0.22 -0.38 1.05 -0.81 0.02 0.00 0.00 177.10 177.20 2d89 n PRO 62 N -0.13 0.49 0.08 -0.60 -0.04 -1.26 -2.56 135.00 130.97 2d89 n PRO 62 Ca -0.03 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2d89 n PRO 62 Cb 0.60 -1.33 0.45 0.00 -0.04 0.00 0.00 33.50 33.17 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 -0.83 0.21 -3.79 0.54 -0.00 -1.26 -4.65 117.38 107.61 2d89 n GLN 63 Ca 0.08 0.17 -0.37 0.00 -0.00 0.00 0.00 57.00 56.88 2d89 n GLN 63 Cb 0.04 -1.75 -0.13 0.00 -0.00 0.00 0.00 30.24 28.40 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 -4.24 5.03 -0.25 2.61 1.01 -1.06 -4.96 116.67 114.82 2d89 s ASP 64 Ca 0.11 -0.77 -0.12 0.00 0.71 0.00 0.00 52.55 52.49 2d89 s ASP 64 Cb 0.14 -1.85 -0.16 0.00 1.01 0.00 0.00 42.92 42.06 2d89 s ASP 64 CO 0.58 -0.19 -0.16 -0.38 0.21 0.00 0.00 175.17 175.23 2d89 n ILE 65 N 4.83 1.54 -0.04 0.77 5.41 -1.26 -3.85 119.36 126.77 2d89 n ILE 65 Ca -0.15 -0.38 -0.15 0.00 1.00 0.00 0.00 62.75 63.08 2d89 n ILE 65 Cb 0.47 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 37.47 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 -0.71 0.08 0.70 0.38 3.64 -1.76 -3.23 116.57 115.67 2d89 h LYS 66 Ca -0.59 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 58.64 2d89 h LYS 66 Cb 1.65 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2d89 h LYS 66 CO -0.28 1.02 -0.43 1.49 -2.27 0.00 0.00 179.45 178.99 2d89 h GLU 67 N -0.79 -1.02 -0.88 1.90 4.81 -1.89 0.30 114.58 117.01 2d89 h GLU 67 Ca -0.03 0.07 0.20 0.00 -0.13 0.00 0.00 59.36 59.47 2d89 h GLU 67 Cb 1.11 0.23 -0.16 0.00 0.63 0.00 0.00 28.75 30.56 2d89 h GLU 67 CO 0.04 -0.68 -0.10 -0.91 -0.73 0.00 0.00 179.01 176.63 2d89 h ASN 68 N -1.06 -0.62 0.62 1.04 4.21 -1.73 0.15 115.58 118.20 2d89 h ASN 68 Ca -0.09 0.25 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 2d89 h ASN 68 Cb 0.85 0.48 0.01 0.00 -1.12 0.00 0.00 38.32 38.54 2d89 h ASN 68 CO 0.09 -0.28 -0.30 0.78 -1.29 0.00 0.00 177.43 176.44 2d89 h ASN 69 N 0.03 -0.71 -0.87 5.81 2.35 -1.52 -3.13 115.58 117.54 2d89 h ASN 69 Ca 0.47 -0.02 0.23 0.00 -0.55 0.00 0.00 56.30 56.42 2d89 h ASN 69 Cb 0.81 0.18 -0.15 0.00 0.05 0.00 0.00 38.32 39.22 2d89 h ASN 69 CO -0.85 -0.36 0.17 0.50 -1.65 0.00 0.00 177.43 175.24 2d89 h LYS 70 N -1.09 0.15 -0.22 0.81 1.63 0.29 -0.15 116.57 117.98 2d89 h LYS 70 Ca -0.09 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2d89 h LYS 70 Cb 0.69 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.21 2d89 h LYS 70 CO 0.14 0.10 -0.40 0.87 -3.45 0.00 0.00 179.45 176.71 2d89 h LYS 71 N 0.16 -0.40 0.33 1.90 1.57 -0.70 -2.20 116.57 117.22 2d89 h LYS 71 Ca 0.54 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 2d89 h LYS 71 Cb 1.07 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2d89 h LYS 71 CO -0.70 -0.27 -0.31 0.00 -0.57 0.00 0.00 179.45 177.60 2d89 h ALA 72 N 0.30 -1.02 -1.51 3.86 0.00 -0.99 -1.50 119.26 118.39 2d89 h ALA 72 Ca 0.10 -0.12 0.44 0.00 0.00 0.00 0.00 54.91 55.33 2d89 h ALA 72 Cb 0.60 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2d89 h ALA 72 CO -0.45 -1.03 1.24 0.66 0.00 0.00 0.00 179.25 179.67 2d89 n TYR 73 N -4.27 0.00 0.04 0.00 4.01 -0.87 0.22 117.16 116.29 2d89 n TYR 73 Ca -0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 2d89 n TYR 73 Cb 0.29 -0.38 -0.14 0.00 -0.31 0.00 0.00 39.34 38.81 2d89 n TYR 73 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2d89 h ASP 74 N 0.00 0.50 -0.09 7.72 3.58 -0.66 -2.44 116.42 125.03 2d89 h ASP 74 Ca 0.72 -0.90 -0.15 0.00 0.42 0.00 0.00 57.03 57.12 2d89 h ASP 74 Cb 3.19 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 44.09 2d89 h ASP 74 CO -0.01 1.35 -0.52 1.23 -2.88 0.00 0.00 179.24 178.41 2d89 h GLY 75 N -0.28 0.56 0.77 -0.78 0.00 0.33 -2.09 103.07 101.58 2d89 h GLY 75 Ca -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 2d89 h GLY 75 CO 0.15 0.73 0.01 0.74 0.00 0.00 0.00 176.54 178.16 2d89 h PHE 76 N 0.09 0.19 0.00 5.60 0.04 -0.71 -2.84 116.94 119.32 2d89 h PHE 76 Ca -0.04 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 2d89 h PHE 76 Cb 1.18 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 2d89 h PHE 76 CO 0.12 0.41 -0.17 0.00 -0.60 0.00 0.00 178.31 178.06 2d89 h ALA 77 N 0.76 1.42 -0.47 2.45 0.00 -1.46 -1.53 119.26 120.44 2d89 h ALA 77 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2d89 h ALA 77 Cb 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2d89 h ALA 77 CO 0.00 0.22 0.25 0.77 0.00 0.00 0.00 179.25 180.49 2d89 h SER 78 N 0.00 0.38 0.19 0.00 0.02 -1.12 -2.44 113.55 110.59 2d89 h SER 78 Ca -0.00 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2d89 h SER 78 Cb 0.38 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2d89 h SER 78 CO 0.02 0.27 -0.64 0.16 -1.14 0.00 0.00 176.83 175.50 2d89 h ILE 79 N 0.50 1.36 0.00 3.27 3.07 -1.48 -3.46 117.51 120.76 2d89 h ILE 79 Ca 0.20 -1.98 0.00 0.00 1.55 0.00 0.00 64.86 64.63 2d89 h ILE 79 Cb 0.07 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2d89 h ILE 79 CO -0.12 0.60 0.00 0.61 -1.05 0.00 0.00 178.15 178.19 2d89 n GLY 80 N 0.39 0.10 3.26 0.16 0.00 -0.92 -5.12 105.19 103.06 2d89 n GLY 80 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.13 4.45 0.08 -0.61 1.01 -0.60 -4.96 121.20 120.43 2d89 s ILE 81 Ca 0.00 -1.56 -0.34 0.00 0.00 0.00 0.00 60.65 58.75 2d89 s ILE 81 Cb 0.00 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 2d89 s ILE 81 CO 0.00 -0.69 1.67 -1.20 0.00 0.00 0.00 174.94 174.72 2d89 n SER 82 N 4.99 3.15 -4.69 3.58 7.64 -1.26 -3.43 113.62 123.59 2d89 n SER 82 Ca -0.10 1.05 -0.42 0.00 1.01 0.00 0.00 58.87 60.41 2d89 n SER 82 Cb 0.42 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2d89 n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d89 s ARG 83 N 1.92 4.44 -0.13 1.43 0.52 -1.26 -4.91 118.95 120.95 2d89 s ARG 83 Ca 0.84 1.51 0.05 0.00 -0.52 0.00 0.00 55.73 57.60 2d89 s ARG 83 Cb -0.70 -3.51 -0.12 0.00 0.52 0.00 0.00 34.95 31.15 2d89 s ARG 83 CO 0.43 -0.29 -0.06 1.28 0.02 0.00 0.00 175.30 176.69 2d89 n LEU 84 N 4.71 1.65 -4.84 2.53 4.77 -1.26 -5.02 117.00 119.54 2d89 n LEU 84 Ca 0.09 -0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 2d89 n LEU 84 Cb 0.48 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2d89 n LEU 84 CO 0.53 0.54 -0.18 -0.22 -1.33 0.00 0.00 177.39 176.74 2d89 s LEU 85 N -5.42 3.97 0.07 2.23 2.96 -1.26 -5.11 118.68 116.13 2d89 s LEU 85 Ca -0.14 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2d89 s LEU 85 Cb 0.04 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2d89 s LEU 85 CO 0.40 0.06 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.84 2d89 s GLU 86 N -3.15 2.44 -0.02 1.98 0.41 -1.26 -5.05 118.70 114.05 2d89 s GLU 86 Ca 0.32 -0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 53.77 2d89 s GLU 86 Cb -0.10 -2.47 -0.20 0.00 -1.78 0.00 0.00 34.13 29.58 2d89 s GLU 86 CO 0.25 0.55 1.23 -1.00 -0.49 0.00 0.00 175.26 175.79 2d89 h PRO 87 N 3.75 -0.06 0.32 0.39 0.13 -1.91 -3.30 132.00 131.33 2d89 h PRO 87 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2d89 h PRO 87 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2d89 h PRO 87 CO 0.56 0.41 -0.25 1.03 -0.23 0.00 0.00 178.00 179.53 2d89 h SER 88 N -0.55 -0.64 -0.77 1.44 0.87 -1.89 -2.56 113.55 109.45 2d89 h SER 88 Ca -0.01 0.05 0.26 0.00 -1.23 0.00 0.00 61.79 60.86 2d89 h SER 88 Cb 0.49 0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 62.52 2d89 h SER 88 CO 0.01 -0.37 0.19 -0.67 -0.53 0.00 0.00 176.83 175.45 2d89 n ASP 89 N -5.37 0.06 -0.20 6.23 -0.08 -1.25 0.21 116.55 116.16 2d89 n ASP 89 Ca -0.09 1.29 -0.01 0.00 -1.51 0.00 0.00 54.79 54.47 2d89 n ASP 89 Cb 0.28 -0.54 0.09 0.00 2.34 0.00 0.00 41.12 43.30 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 2d89 h MET 90 N 0.00 0.43 -0.10 -0.67 2.86 -1.53 -1.87 114.93 114.05 2d89 h MET 90 Ca 0.55 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 58.12 2d89 h MET 90 Cb 1.29 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 2d89 h MET 90 CO -0.67 0.28 -0.10 0.28 1.06 0.00 0.00 176.91 177.76 2d89 h VAL 91 N 0.44 1.36 -0.48 -2.22 2.07 0.24 -3.28 116.25 114.38 2d89 h VAL 91 Ca 0.29 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 66.62 2d89 h VAL 91 Cb 0.31 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 31.97 2d89 h VAL 91 CO -0.27 0.36 -0.40 -0.07 0.02 0.00 0.00 177.57 177.22 2d89 h LEU 92 N -0.17 -1.34-10.69 2.57 3.38 -0.84 -3.42 115.31 104.81 2d89 h LEU 92 Ca 0.01 0.22 -0.46 0.00 0.09 0.00 0.00 57.88 57.74 2d89 h LEU 92 Cb 0.63 0.61 0.08 0.00 0.09 0.00 0.00 40.66 42.07 2d89 h LEU 92 CO 0.03 -0.34 0.12 -1.48 0.09 0.00 0.00 178.44 176.85 2d89 s LEU 93 N -10.57 2.98 -0.04 1.67 0.05 -0.74 -5.07 118.68 106.95 2d89 s LEU 93 Ca -0.14 -0.26 -0.02 0.00 0.05 0.00 0.00 54.13 53.75 2d89 s LEU 93 Cb 0.13 -2.12 -0.01 0.00 -2.05 0.00 0.00 46.19 42.14 2d89 s LEU 93 CO 0.67 -1.85 -0.04 0.00 -0.55 0.00 0.00 176.35 174.58 2d89 h ALA 94 N -0.55 0.00 -3.57 1.48 0.00 -1.82 -3.46 119.26 111.35 2d89 h ALA 94 Ca -0.38 -0.22 -0.68 0.00 0.00 0.00 0.00 54.91 53.63 2d89 h ALA 94 Cb 1.27 0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.88 2d89 h ALA 94 CO 0.42 0.12 -0.84 0.42 0.00 0.00 0.00 179.25 179.37 2d89 s ILE 95 N -1.36 2.46 1.21 0.00 -1.09 -1.26 -4.97 121.20 116.19 2d89 s ILE 95 Ca -0.03 -0.89 -0.19 0.00 -2.23 0.00 0.00 60.65 57.30 2d89 s ILE 95 Cb 0.00 -1.96 0.29 0.00 -1.58 0.00 0.00 42.46 39.21 2d89 s ILE 95 CO 0.05 0.55 1.11 -2.16 -1.23 0.00 0.00 174.94 173.27 2d89 s PRO 96 N 0.12 -1.28 -0.58 2.79 0.04 -1.26 -4.98 135.00 129.85 2d89 s PRO 96 Ca -0.10 -0.09 -0.20 0.00 0.04 0.00 0.00 61.00 60.66 2d89 s PRO 96 Cb -0.16 -1.59 0.09 0.00 0.04 0.00 0.00 34.50 32.88 2d89 s PRO 96 CO 0.06 -3.75 0.73 -0.51 0.04 0.00 0.00 177.00 173.57 2d89 s ASP 97 N -3.91 6.20 0.18 6.66 1.11 -1.26 -4.91 116.67 120.74 2d89 s ASP 97 Ca 0.71 -1.22 -0.09 0.00 0.18 0.00 0.00 52.55 52.14 2d89 s ASP 97 Cb -0.09 -2.32 0.26 0.00 1.07 0.00 0.00 42.92 41.84 2d89 s ASP 97 CO 0.56 -1.11 1.11 1.17 1.18 0.00 0.00 175.17 178.09 2d89 n LYS 98 N 6.51 -0.11 0.00 8.23 4.81 -1.26 -1.38 118.16 134.96 2d89 n LYS 98 Ca -0.08 1.11 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 2d89 n LYS 98 Cb 0.44 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.83 2d89 n LYS 98 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2d89 n LEU 99 N -5.12 0.00 -0.12 3.14 7.99 -1.26 -1.01 117.00 120.62 2d89 n LEU 99 Ca 0.10 0.72 -0.04 0.00 -0.01 0.00 0.00 56.01 56.78 2d89 n LEU 99 Cb 0.33 -0.22 -0.03 0.00 -0.11 0.00 0.00 43.42 43.38 2d89 n LEU 99 CO -0.09 -0.22 0.49 0.74 -1.51 0.00 0.00 177.39 176.80 2d89 h THR 100 N 0.00 0.00 -0.78 -5.08 2.02 -1.63 0.66 112.91 108.11 2d89 h THR 100 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2d89 h THR 100 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 2d89 h THR 100 CO 0.00 0.00 -0.34 0.52 0.37 0.00 0.00 175.52 176.07 2d89 n VAL 101 N -3.74 -0.44 -0.19 3.16 0.31 -0.78 0.23 118.33 116.88 2d89 n VAL 101 Ca 0.00 1.84 0.01 0.00 -0.01 0.00 0.00 64.34 66.18 2d89 n VAL 101 Cb 0.10 -2.40 0.26 0.00 -0.91 0.00 0.00 33.84 30.88 2d89 n VAL 101 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2d89 h MET 102 N 0.00 0.94 -0.35 5.55 2.07 0.51 -1.87 114.93 121.79 2d89 h MET 102 Ca 0.24 -0.06 0.02 0.00 -2.07 0.00 0.00 59.70 57.83 2d89 h MET 102 Cb 0.44 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 2d89 h MET 102 CO -0.77 0.64 0.18 1.15 1.07 0.00 0.00 176.91 179.18 2d89 h THR 103 N 0.97 1.00 -0.49 2.22 2.02 0.51 -1.08 112.91 118.06 2d89 h THR 103 Ca 0.26 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 2d89 h THR 103 Cb -0.09 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2d89 h THR 103 CO -0.05 0.07 0.03 0.22 0.37 0.00 0.00 175.52 176.15 2d89 h TYR 104 N 0.38 0.92 0.22 3.16 3.20 -0.77 -3.18 116.97 120.91 2d89 h TYR 104 Ca 0.14 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2d89 h TYR 104 Cb 0.04 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2d89 h TYR 104 CO -0.09 0.86 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.98 2d89 h LEU 105 N 0.72 -0.64 -1.16 2.82 3.38 -1.01 -2.08 115.31 117.33 2d89 h LEU 105 Ca 0.14 0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.53 2d89 h LEU 105 Cb 0.47 0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 2d89 h LEU 105 CO 0.02 -0.35 0.66 1.88 0.09 0.00 0.00 178.44 180.74 2d89 h TYR 106 N -0.50 0.77 0.11 1.13 0.05 -1.19 0.28 116.97 117.63 2d89 h TYR 106 Ca -0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2d89 h TYR 106 Cb 0.47 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2d89 h TYR 106 CO -0.17 -0.19 -0.06 1.96 -1.05 0.00 0.00 178.16 178.66 2d89 h GLN 107 N 0.23 -0.15 0.62 4.88 1.08 -1.37 -1.10 115.11 119.31 2d89 h GLN 107 Ca 0.75 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.94 2d89 h GLN 107 Cb 1.97 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.44 2d89 h GLN 107 CO -0.53 -0.09 -0.33 0.82 -0.95 0.00 0.00 178.83 177.74 2d89 h ILE 108 N -0.16 0.32 -1.00 2.54 5.03 -0.37 0.02 117.51 123.88 2d89 h ILE 108 Ca -0.02 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.94 2d89 h ILE 108 Cb 0.12 0.32 -0.11 0.00 -3.03 0.00 0.00 36.82 34.12 2d89 h ILE 108 CO 0.03 0.00 0.61 -0.09 -0.68 0.00 0.00 178.15 178.02 2d89 h ARG 109 N -0.89 0.61 -0.33 2.37 2.43 -1.29 0.55 114.38 117.84 2d89 h ARG 109 Ca -0.08 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 2d89 h ARG 109 Cb 0.70 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2d89 h ARG 109 CO 0.12 0.41 -0.30 0.00 -1.51 0.00 0.00 179.97 178.68 2d89 h ALA 110 N 1.67 0.49 -0.29 2.80 0.00 -0.82 0.29 119.26 123.39 2d89 h ALA 110 Ca 0.60 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2d89 h ALA 110 Cb 1.11 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2d89 h ALA 110 CO -0.39 0.52 -0.12 1.25 0.00 0.00 0.00 179.25 180.51 2d89 h HIS 111 N 0.57 -0.30 0.03 0.00 -0.00 0.11 -3.15 115.15 112.41 2d89 h HIS 111 Ca 0.06 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2d89 h HIS 111 Cb 0.88 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2d89 h HIS 111 CO 0.07 -0.19 -0.01 0.74 -0.00 0.00 0.00 177.93 178.53 2d89 h PHE 112 N -0.07 -0.03 -3.46 5.26 -1.00 -1.44 -3.44 116.94 112.75 2d89 h PHE 112 Ca 0.15 -0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.33 2d89 h PHE 112 Cb 0.30 0.01 -0.11 0.00 3.61 0.00 0.00 35.95 39.76 2d89 h PHE 112 CO -0.33 0.61 -0.25 -1.12 -1.61 0.00 0.00 178.31 175.61 2d89 s SER 113 N -5.91 6.41 0.56 2.17 0.01 0.10 -5.08 113.70 111.96 2d89 s SER 113 Ca -0.13 0.48 -0.07 0.00 1.31 0.00 0.00 55.95 57.53 2d89 s SER 113 Cb -0.02 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2d89 s SER 113 CO 0.49 -0.03 0.90 -0.94 0.41 0.00 0.00 173.24 174.06 2d89 s SER 114 N 0.95 6.03 0.00 2.44 1.04 -1.25 -3.88 113.70 119.03 2d89 s SER 114 Ca 0.18 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.62 2d89 s SER 114 Cb -0.14 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2d89 s SER 114 CO 0.07 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2d89 n GLY 115 N -2.52 -1.83 0.00 7.32 0.00 -1.26 -4.95 105.19 101.95 2d89 n GLY 115 Ca 0.03 0.75 0.07 0.00 0.00 0.00 0.00 46.02 46.88 2d89 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d89 n PRO 116 N 0.00 0.16 -1.05 1.61 -0.04 -1.26 -4.87 135.00 129.55 2d89 n PRO 116 Ca 0.00 0.17 -0.36 0.00 -0.04 0.00 0.00 63.50 63.28 2d89 n PRO 116 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2d89 n PRO 116 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d89 n SER 117 N -1.33 -4.92 -4.42 3.54 3.41 -1.26 -4.67 113.62 103.95 2d89 n SER 117 Ca 0.06 0.35 -0.50 0.00 -0.26 0.00 0.00 58.87 58.52 2d89 n SER 117 Cb 0.13 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.28 2d89 n SER 117 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d89 n SER 118 N 2.99 -0.97 0.00 4.04 7.64 -1.26 -5.22 113.62 120.84 2d89 n SER 118 Ca 0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2d89 n SER 118 Cb 0.50 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2d89 n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64