#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 -1.78 -0.01 1.61 3.41 -1.26 -4.83 113.62 110.75 2d89 n SER 2 Ca 0.00 -1.16 -0.19 0.00 -0.26 0.00 0.00 58.87 57.26 2d89 n SER 2 Cb 0.00 -2.10 -0.14 0.00 -0.26 0.00 0.00 64.21 61.72 2d89 n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2d89 h SER 3 N -1.29 0.26 -4.91 4.04 4.64 -2.11 -3.51 113.55 110.68 2d89 h SER 3 Ca -0.61 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 59.84 2d89 h SER 3 Cb 1.39 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2d89 h SER 3 CO 0.81 1.39 0.00 0.61 -0.87 0.00 0.00 176.83 178.77 2d89 n GLY 4 N 1.65 3.50 3.56 -0.77 0.00 -1.26 -5.14 105.19 106.72 2d89 n GLY 4 Ca -0.19 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 2d89 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d89 s SER 5 N 0.00 3.62 -0.24 1.61 1.04 -1.26 -5.14 113.70 113.33 2d89 s SER 5 Ca 0.00 -1.27 -0.05 0.00 0.48 0.00 0.00 55.95 55.12 2d89 s SER 5 Cb 0.00 -0.34 0.12 0.00 0.10 0.00 0.00 66.02 65.91 2d89 s SER 5 CO 0.00 -0.32 0.44 -0.44 0.98 0.00 0.00 173.24 173.90 2d89 s SER 6 N -3.62 -0.28 0.00 7.02 0.01 -1.26 -5.14 113.70 110.44 2d89 s SER 6 Ca 0.33 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2d89 s SER 6 Cb 0.06 1.44 0.00 0.00 0.21 0.00 0.00 66.02 67.73 2d89 s SER 6 CO 0.17 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2d89 n GLY 7 N 5.39 2.60 3.71 3.44 0.00 -1.26 -5.07 105.19 113.99 2d89 n GLY 7 Ca -0.06 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.80 1.06 0.17 1.61 0.04 -1.26 -5.04 135.00 128.79 2d89 s PRO 8 Ca 0.00 0.75 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 2d89 s PRO 8 Cb 0.00 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.82 2d89 s PRO 8 CO 0.00 -2.35 1.03 -0.80 0.04 0.00 0.00 177.00 174.91 2d89 s ASN 9 N -3.43 -0.04 1.10 6.66 0.02 -1.26 -5.10 114.94 112.88 2d89 s ASN 9 Ca 0.64 -0.59 -0.16 0.00 -1.02 0.00 0.00 52.86 51.72 2d89 s ASN 9 Cb -0.18 0.49 0.19 0.00 0.02 0.00 0.00 41.25 41.77 2d89 s ASN 9 CO 0.57 -0.95 0.35 0.00 0.02 0.00 0.00 177.10 177.09 2d89 n ALA 10 N -0.63 -2.05 -0.28 0.60 0.00 -1.26 -4.56 120.51 112.33 2d89 n ALA 10 Ca -0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 53.44 52.16 2d89 n ALA 10 Cb 0.60 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.98 2d89 n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d89 h SER 11 N -2.72 -1.16 -0.72 0.00 0.87 -2.02 0.12 113.55 107.93 2d89 h SER 11 Ca -0.33 0.26 0.20 0.00 -1.23 0.00 0.00 61.79 60.70 2d89 h SER 11 Cb 0.97 0.62 -0.13 0.00 -0.44 0.00 0.00 62.40 63.41 2d89 h SER 11 CO 0.21 -0.29 0.03 1.67 -0.53 0.00 0.00 176.83 177.92 2d89 n GLN 12 N -5.47 -0.06 -0.14 2.24 -0.06 -1.26 0.75 117.38 113.38 2d89 n GLN 12 Ca 0.08 1.07 -0.09 0.00 -2.00 0.00 0.00 57.00 56.06 2d89 n GLN 12 Cb 0.39 -1.71 -0.03 0.00 -4.06 0.00 0.00 30.24 24.82 2d89 n GLN 12 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2d89 h SER 13 N 0.00 -1.34 0.75 1.69 0.87 -0.99 0.53 113.55 115.06 2d89 h SER 13 Ca 0.44 0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 61.18 2d89 h SER 13 Cb 0.93 0.60 0.01 0.00 -0.44 0.00 0.00 62.40 63.50 2d89 h SER 13 CO -0.67 -0.35 -0.36 0.25 -0.53 0.00 0.00 176.83 175.17 2d89 h LEU 14 N -0.29 -0.85 -0.97 2.23 5.85 0.21 -1.84 115.31 119.64 2d89 h LEU 14 Ca 0.16 0.03 0.38 0.00 0.84 0.00 0.00 57.88 59.28 2d89 h LEU 14 Cb 0.57 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 41.65 2d89 h LEU 14 CO -0.58 -0.58 0.42 -0.11 -0.34 0.00 0.00 178.44 177.24 2d89 n LEU 15 N -4.88 0.24 0.11 2.25 7.94 -0.91 0.16 117.00 121.91 2d89 n LEU 15 Ca -0.13 1.63 -0.13 0.00 -1.11 0.00 0.00 56.01 56.27 2d89 n LEU 15 Cb 0.40 -0.75 -0.08 0.00 0.53 0.00 0.00 43.42 43.52 2d89 n LEU 15 CO 0.30 -1.78 0.58 0.58 -1.11 0.00 0.00 177.39 175.96 2d89 h VAL 16 N 0.00 0.85 -0.73 1.96 2.07 -0.70 -2.82 116.25 116.88 2d89 h VAL 16 Ca 0.78 -0.67 0.12 0.00 0.82 0.00 0.00 66.70 67.75 2d89 h VAL 16 Cb 1.98 1.23 -0.12 0.00 -1.52 0.00 0.00 31.29 32.86 2d89 h VAL 16 CO -0.79 0.14 -0.25 1.87 0.02 0.00 0.00 177.57 178.56 2d89 n TRP 17 N -5.07 0.10 0.24 1.57 -0.00 0.12 0.04 117.44 114.44 2d89 n TRP 17 Ca -0.09 0.90 -0.10 0.00 -0.00 0.00 0.00 57.50 58.21 2d89 n TRP 17 Cb 0.24 -0.82 -0.05 0.00 -0.00 0.00 0.00 31.31 30.69 2d89 n TRP 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2d89 h LYS 19 N -0.78 0.00 0.31 0.00 1.57 -0.80 0.37 116.57 117.24 2d89 h LYS 19 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2d89 h LYS 19 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2d89 h LYS 19 CO 0.10 0.00 -0.15 1.49 -0.57 0.00 0.00 179.45 180.32 2d89 h GLU 20 N 0.00 -0.40 0.00 3.15 4.57 -0.17 -2.55 114.58 119.18 2d89 h GLU 20 Ca 0.46 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2d89 h GLU 20 Cb 2.55 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 31.23 2d89 h GLU 20 CO -0.00 -0.27 0.00 -0.39 -1.18 0.00 0.00 179.01 177.17 2d89 h VAL 21 N -1.00 0.00 -0.64 0.32 -1.51 -0.60 -2.18 116.25 110.65 2d89 h VAL 21 Ca -0.04 -0.29 -0.30 0.00 -1.23 0.00 0.00 66.70 64.83 2d89 h VAL 21 Cb 0.32 1.22 -0.18 0.00 -2.13 0.00 0.00 31.29 30.52 2d89 h VAL 21 CO 0.07 0.00 0.25 0.35 -1.23 0.00 0.00 177.57 177.01 2d89 n THR 22 N -2.93 2.83 -0.00 7.19 -2.24 0.11 -4.56 114.28 114.68 2d89 n THR 22 Ca -0.00 -2.24 -0.17 0.00 -2.27 0.00 0.00 64.05 59.36 2d89 n THR 22 Cb 0.21 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 2d89 n THR 22 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2d89 h LYS 23 N 1.26 0.49 -1.25 -0.78 1.57 -0.94 -3.23 116.57 113.70 2d89 h LYS 23 Ca 0.37 -0.48 -0.39 0.00 -1.87 0.00 0.00 60.65 58.29 2d89 h LYS 23 Cb 2.19 0.12 -0.18 0.00 0.08 0.00 0.00 32.23 34.44 2d89 h LYS 23 CO 0.70 1.12 0.50 0.27 -0.57 0.00 0.00 179.45 181.46 2d89 n ASN 24 N -4.17 5.63 -4.88 0.86 0.23 -1.26 -4.91 115.26 106.76 2d89 n ASN 24 Ca -0.10 -3.17 -0.28 0.00 -0.53 0.00 0.00 54.58 50.50 2d89 n ASN 24 Cb 0.68 -0.92 -0.02 0.00 -2.08 0.00 0.00 39.78 37.43 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 -2.26 1.57 -0.19 -2.53 1.51 -1.22 -5.13 117.35 109.11 2d89 s TYR 25 Ca 0.39 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2d89 s TYR 25 Cb 0.31 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.38 2d89 s TYR 25 CO 0.02 -0.35 -0.12 0.50 -1.11 0.00 0.00 175.55 174.50 2d89 s ARG 26 N -4.21 2.13 0.00 -0.62 3.52 -1.26 -4.73 118.95 113.78 2d89 s ARG 26 Ca 0.25 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 2d89 s ARG 26 Cb -0.02 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 2d89 s ARG 26 CO 0.16 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 2d89 n GLY 27 N 4.70 0.90 2.68 8.12 0.00 -1.26 -5.05 105.19 115.28 2d89 n GLY 27 Ca -0.15 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.75 0.82 -0.00 1.61 1.01 -1.26 -4.92 120.40 114.91 2d89 s VAL 28 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.40 2d89 s VAL 28 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2d89 s VAL 28 CO 0.00 -0.76 0.05 1.17 0.00 0.00 0.00 175.10 175.56 2d89 n LYS 29 N 4.54 0.31 -3.79 2.72 4.81 -1.26 -4.88 118.16 120.61 2d89 n LYS 29 Ca 0.01 -0.02 -0.26 0.00 -0.87 0.00 0.00 58.31 57.17 2d89 n LYS 29 Cb 0.40 -1.06 0.02 0.00 0.02 0.00 0.00 35.03 34.41 2d89 n LYS 29 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2d89 n ILE 30 N -1.62 -4.47 0.25 3.15 -0.00 -1.26 -4.84 119.36 110.57 2d89 n ILE 30 Ca -0.01 -0.68 0.10 0.00 -0.00 0.00 0.00 62.75 62.17 2d89 n ILE 30 Cb 0.10 -3.57 0.68 0.00 -0.00 0.00 0.00 39.64 36.85 2d89 n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2d89 h THR 31 N -1.85 0.77 -4.04 1.39 1.03 -1.97 -3.45 112.91 104.79 2d89 h THR 31 Ca -0.64 -0.47 -0.24 0.00 -0.01 0.00 0.00 66.41 65.05 2d89 h THR 31 Cb 1.37 1.28 -0.08 0.00 -1.07 0.00 0.00 68.15 69.64 2d89 h THR 31 CO 0.56 0.12 -0.17 0.20 -0.01 0.00 0.00 175.52 176.21 2d89 s ASN 32 N -6.48 0.77 -0.32 0.00 0.01 -1.26 -5.06 114.94 102.60 2d89 s ASN 32 Ca -0.04 -1.42 0.07 0.00 -0.71 0.00 0.00 52.86 50.77 2d89 s ASN 32 Cb 0.14 0.66 0.47 0.00 0.41 0.00 0.00 41.25 42.93 2d89 s ASN 32 CO 0.62 -1.29 1.40 0.49 -1.51 0.00 0.00 177.10 176.81 2d89 n PHE 33 N -0.54 1.72 0.00 2.20 3.72 -1.26 -4.45 117.46 118.85 2d89 n PHE 33 Ca 0.00 -1.97 0.00 0.00 -0.05 0.00 0.00 57.45 55.44 2d89 n PHE 33 Cb 0.62 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.05 4.37 -2.24 -1.26 -4.30 114.28 109.84 2d89 n THR 34 Ca 0.38 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.06 2d89 n THR 34 Cb 0.92 -0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.17 -1.24 4.28 1.35 -1.93 -1.26 112.91 115.28 2d89 h THR 35 Ca 0.00 -1.79 0.41 0.00 -0.55 0.00 0.00 66.41 64.48 2d89 h THR 35 Cb 0.00 2.18 -0.11 0.00 -1.73 0.00 0.00 68.15 68.49 2d89 h THR 35 CO 0.00 0.38 0.82 -0.24 -0.25 0.00 0.00 175.52 176.23 2d89 n SER 36 N -4.70 0.14 -0.09 5.36 2.88 -1.26 0.20 113.62 116.15 2d89 n SER 36 Ca -0.07 1.09 -0.08 0.00 -1.33 0.00 0.00 58.87 58.47 2d89 n SER 36 Cb 0.31 -0.53 -0.16 0.00 -0.75 0.00 0.00 64.21 63.08 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 -4.20 0.10 -0.26 0.66 7.02 -1.25 -4.37 117.44 115.14 2d89 n TRP 37 Ca 0.34 0.04 0.15 0.00 -1.02 0.00 0.00 57.50 57.01 2d89 n TRP 37 Cb 1.37 -0.98 0.29 0.00 -2.42 0.00 0.00 31.31 29.57 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 -2.75 -0.06 -0.04 -0.99 0.63 0.55 0.14 116.66 114.14 2d89 n ARG 38 Ca -0.29 1.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.64 2d89 n ARG 38 Cb 1.11 -1.87 -0.08 0.00 0.45 0.00 0.00 32.46 32.07 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 0.28 0.00 6.15 7.08 -1.76 -3.45 115.58 123.88 2d89 h ASN 39 Ca 0.53 -0.51 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 2d89 h ASN 39 Cb 1.19 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 2d89 h ASN 39 CO -0.69 0.74 0.00 0.61 -2.08 0.00 0.00 177.43 176.00 2d89 n GLY 40 N 0.29 0.90 0.10 9.14 0.00 0.37 -3.87 105.19 112.12 2d89 n GLY 40 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2d89 n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d89 n LEU 41 N 0.00 1.91 0.08 0.99 4.77 -1.26 -3.94 117.00 119.55 2d89 n LEU 41 Ca 0.00 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 2d89 n LEU 41 Cb 0.00 -0.81 0.51 0.00 -2.33 0.00 0.00 43.42 40.79 2d89 n LEU 41 CO 0.00 -0.08 1.13 0.28 -1.33 0.00 0.00 177.39 177.39 2d89 h SER 42 N -1.00 0.29 -0.35 -1.43 0.02 -1.91 0.34 113.55 109.50 2d89 h SER 42 Ca -0.18 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2d89 h SER 42 Cb 1.05 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2d89 h SER 42 CO -0.11 0.21 0.05 -0.26 -1.14 0.00 0.00 176.83 175.58 2d89 h PHE 43 N 0.34 0.63 0.05 3.45 0.04 -1.92 -2.18 116.94 117.35 2d89 h PHE 43 Ca 0.11 -0.09 -0.23 0.00 2.80 0.00 0.00 57.97 60.56 2d89 h PHE 43 Cb 0.03 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 2d89 h PHE 43 CO -0.00 0.65 -1.04 0.00 -0.60 0.00 0.00 178.31 177.32 2d89 h ALA 45 N 0.77 -0.39 -0.03 0.00 0.00 -0.28 -1.21 119.26 118.12 2d89 h ALA 45 Ca -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2d89 h ALA 45 Cb 1.72 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 2d89 h ALA 45 CO 0.17 -0.74 -0.48 0.82 0.00 0.00 0.00 179.25 179.02 2d89 h ILE 46 N -0.41 0.00 -0.77 0.00 2.04 -1.50 0.13 117.51 117.00 2d89 h ILE 46 Ca -0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 2d89 h ILE 46 Cb 0.36 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 2d89 h ILE 46 CO -0.01 0.00 0.53 0.25 0.00 0.00 0.00 178.15 178.92 2d89 h LEU 47 N -0.58 0.21 -0.46 1.44 5.85 -1.61 0.73 115.31 120.89 2d89 h LEU 47 Ca 0.01 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 2d89 h LEU 47 Cb 0.63 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2d89 h LEU 47 CO -0.33 0.09 -0.38 -0.74 -0.34 0.00 0.00 178.44 176.74 2d89 h HIS 48 N 0.21 1.03 -0.96 1.25 2.76 0.29 -2.25 115.15 117.48 2d89 h HIS 48 Ca 0.38 -0.30 0.26 0.00 -2.20 0.00 0.00 60.37 58.50 2d89 h HIS 48 Cb 1.18 -0.22 -0.13 0.00 1.55 0.00 0.00 27.41 29.79 2d89 h HIS 48 CO -0.00 1.10 0.49 1.25 -1.30 0.00 0.00 177.93 179.47 2d89 h HIS 49 N 0.70 0.81 0.14 5.26 -0.00 0.16 -0.99 115.15 121.24 2d89 h HIS 49 Ca 0.06 0.04 -0.23 0.00 -0.00 0.00 0.00 60.37 60.23 2d89 h HIS 49 Cb 0.96 -0.21 0.01 0.00 -0.00 0.00 0.00 27.41 28.18 2d89 h HIS 49 CO 0.06 -0.06 -1.10 0.74 -0.00 0.00 0.00 177.93 177.57 2d89 h PHE 50 N 0.42 0.54 -3.08 5.26 -1.00 -1.56 -3.44 116.94 114.08 2d89 h PHE 50 Ca 0.63 -0.39 -0.53 0.00 2.81 0.00 0.00 57.97 60.49 2d89 h PHE 50 Cb 1.28 -0.02 -0.40 0.00 3.61 0.00 0.00 35.95 40.41 2d89 h PHE 50 CO -0.07 1.43 -0.76 0.50 -1.61 0.00 0.00 178.31 177.79 2d89 s ARG 51 N -2.46 0.45 0.00 1.51 6.06 -0.43 -4.99 118.95 119.10 2d89 s ARG 51 Ca -0.16 -0.56 0.15 0.00 -2.50 0.00 0.00 55.73 52.66 2d89 s ARG 51 Cb 0.02 -1.78 0.83 0.00 0.06 0.00 0.00 34.95 34.08 2d89 s ARG 51 CO 0.81 -0.83 1.38 -0.35 -2.50 0.00 0.00 175.30 173.81 2d89 n PRO 52 N 5.09 0.33 -0.12 5.12 -0.04 -0.87 -2.76 135.00 141.75 2d89 n PRO 52 Ca -0.06 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 2d89 n PRO 52 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 2d89 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2d89 n ASP 53 N -1.16 2.05 -0.33 3.54 2.03 -1.26 -4.45 116.55 116.96 2d89 n ASP 53 Ca 0.09 -0.13 0.27 0.00 0.52 0.00 0.00 54.79 55.54 2d89 n ASP 53 Cb 0.09 -0.35 0.51 0.00 -0.72 0.00 0.00 41.12 40.65 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2d89 h LEU 54 N 0.00 0.30 -9.59 -2.67 3.38 -1.86 -3.41 115.31 101.46 2d89 h LEU 54 Ca -0.55 0.24 -0.59 0.00 0.09 0.00 0.00 57.88 57.07 2d89 h LEU 54 Cb 1.86 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 42.72 2d89 h LEU 54 CO -0.08 -0.32 -0.59 -0.63 0.09 0.00 0.00 178.44 176.91 2d89 s ILE 55 N -5.63 1.62 -0.28 1.22 1.09 -1.26 -4.93 121.20 113.03 2d89 s ILE 55 Ca -0.10 -2.00 0.12 0.00 -1.10 0.00 0.00 60.65 57.57 2d89 s ILE 55 Cb 0.32 -2.81 0.68 0.00 -1.06 0.00 0.00 42.46 39.59 2d89 s ILE 55 CO 0.78 0.00 1.68 -0.67 -0.10 0.00 0.00 174.94 176.63 2d89 n ASP 56 N -0.95 4.41 0.16 3.58 -0.08 -1.26 -4.61 116.55 117.80 2d89 n ASP 56 Ca -0.06 -3.23 0.17 0.00 -1.51 0.00 0.00 54.79 50.16 2d89 n ASP 56 Cb 0.67 -0.69 0.63 0.00 2.34 0.00 0.00 41.12 44.08 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2d89 h TYR 57 N 2.37 0.00 -0.38 -0.67 5.03 -1.90 0.32 116.97 121.74 2d89 h TYR 57 Ca 0.19 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.54 2d89 h TYR 57 Cb 2.04 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 40.30 2d89 h TYR 57 CO 1.07 0.00 0.26 1.57 -1.32 0.00 0.00 178.16 179.74 2d89 h LYS 58 N 0.00 0.31 -0.33 1.82 2.10 -1.86 -2.76 116.57 115.85 2d89 h LYS 58 Ca 0.15 -0.02 -0.26 0.00 -2.00 0.00 0.00 60.65 58.52 2d89 h LYS 58 Cb 1.32 -0.07 -0.31 0.00 -0.90 0.00 0.00 32.23 32.27 2d89 h LYS 58 CO -0.00 0.20 -0.86 0.45 -2.00 0.00 0.00 179.45 177.24 2d89 n SER 59 N -4.48 2.46 -3.74 7.07 2.88 0.11 -5.08 113.62 112.84 2d89 n SER 59 Ca 0.04 -2.98 -0.15 0.00 -1.33 0.00 0.00 58.87 54.45 2d89 n SER 59 Cb 0.22 -0.41 0.07 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 -0.53 0.00 -3.55 2.46 4.77 -1.01 -5.09 117.00 114.06 2d89 n LEU 60 Ca 0.20 -1.45 -0.06 0.00 -0.03 0.00 0.00 56.01 54.67 2d89 n LEU 60 Cb 0.90 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2d89 n LEU 60 CO 0.12 -0.79 0.85 0.20 -1.33 0.00 0.00 177.39 176.44 2d89 s ASN 61 N -3.64 -0.25 0.00 -1.43 0.02 -1.26 -5.01 114.94 103.38 2d89 s ASN 61 Ca 0.43 -0.00 0.09 0.00 -1.02 0.00 0.00 52.86 52.37 2d89 s ASN 61 Cb -0.03 0.26 0.56 0.00 0.02 0.00 0.00 41.25 42.07 2d89 s ASN 61 CO 0.28 -0.42 1.00 -0.81 0.02 0.00 0.00 177.10 177.18 2d89 n PRO 62 N -0.17 0.49 0.20 -0.60 -0.04 -1.26 -2.58 135.00 131.04 2d89 n PRO 62 Ca -0.04 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2d89 n PRO 62 Cb 0.60 -1.30 0.23 0.00 -0.04 0.00 0.00 33.50 32.98 2d89 n PRO 62 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2d89 h GLN 63 N 0.00 0.00 -4.75 0.54 -0.00 -1.96 -3.43 115.11 105.51 2d89 h GLN 63 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 57.97 2d89 h GLN 63 Cb 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 27.25 2d89 h GLN 63 CO 0.00 0.00 -0.55 -0.51 -0.00 0.00 0.00 178.83 177.77 2d89 s ASP 64 N -5.92 5.55 -0.24 0.06 1.01 -1.07 -4.94 116.67 111.12 2d89 s ASP 64 Ca 0.07 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 52.74 2d89 s ASP 64 Cb 0.06 -2.00 -0.18 0.00 1.01 0.00 0.00 42.92 41.81 2d89 s ASP 64 CO 0.65 -0.22 -0.16 -0.38 0.21 0.00 0.00 175.17 175.27 2d89 n ILE 65 N 4.98 1.52 -0.09 0.77 5.41 -1.25 -3.94 119.36 126.75 2d89 n ILE 65 Ca -0.14 -0.58 -0.17 0.00 1.00 0.00 0.00 62.75 62.86 2d89 n ILE 65 Cb 0.49 -1.44 -0.12 0.00 -0.71 0.00 0.00 39.64 37.86 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 0.01 0.00 0.59 0.38 3.64 -1.78 -3.26 116.57 116.14 2d89 h LYS 66 Ca -0.56 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 2d89 h LYS 66 Cb 1.92 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.73 2d89 h LYS 66 CO -0.07 0.96 -0.40 1.49 -2.27 0.00 0.00 179.45 179.15 2d89 h GLU 67 N -1.00 -0.92 -0.57 1.90 4.81 -1.90 0.10 114.58 117.00 2d89 h GLU 67 Ca -0.18 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2d89 h GLU 67 Cb 1.12 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.60 2d89 h GLU 67 CO -0.11 -0.61 -0.35 -0.91 -0.73 0.00 0.00 179.01 176.30 2d89 h ASN 68 N -0.95 -1.22 -0.25 1.04 4.21 -1.77 -0.37 115.58 116.27 2d89 h ASN 68 Ca -0.07 0.23 0.01 0.00 1.21 0.00 0.00 56.30 57.68 2d89 h ASN 68 Cb 0.78 0.59 -0.02 0.00 -1.12 0.00 0.00 38.32 38.56 2d89 h ASN 68 CO 0.05 -0.31 0.13 0.78 -1.29 0.00 0.00 177.43 176.78 2d89 h ASN 69 N -0.18 0.20 -0.73 5.81 2.35 -1.57 -2.60 115.58 118.86 2d89 h ASN 69 Ca 0.22 0.01 0.16 0.00 -0.55 0.00 0.00 56.30 56.14 2d89 h ASN 69 Cb 0.55 -0.03 -0.11 0.00 0.05 0.00 0.00 38.32 38.78 2d89 h ASN 69 CO -0.67 0.15 0.15 0.50 -1.65 0.00 0.00 177.43 175.91 2d89 h LYS 70 N 0.27 0.23 -0.01 0.81 3.64 0.77 -2.17 116.57 120.11 2d89 h LYS 70 Ca 0.10 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2d89 h LYS 70 Cb 0.02 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2d89 h LYS 70 CO -0.06 0.15 -0.41 0.87 -2.27 0.00 0.00 179.45 177.73 2d89 h LYS 71 N 0.24 -0.49 0.00 1.90 1.57 -0.77 -1.69 116.57 117.33 2d89 h LYS 71 Ca 0.41 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2d89 h LYS 71 Cb 0.71 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2d89 h LYS 71 CO -0.53 -0.33 0.00 0.00 -0.57 0.00 0.00 179.45 178.02 2d89 n ALA 72 N -2.86 -0.08 -0.26 3.86 0.00 -0.84 -0.76 120.51 119.57 2d89 n ALA 72 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.54 2d89 n ALA 72 Cb 0.30 0.33 0.30 0.00 0.00 0.00 0.00 19.45 20.38 2d89 n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d89 n TYR 73 N -2.17 0.62 -0.15 0.00 4.01 -1.07 0.23 117.16 118.63 2d89 n TYR 73 Ca 0.00 0.93 -0.09 0.00 -0.16 0.00 0.00 57.90 58.59 2d89 n TYR 73 Cb 0.00 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 37.87 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 0.59 0.21 7.72 3.58 -0.13 -0.14 116.42 128.26 2d89 h ASP 74 Ca 0.53 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 2d89 h ASP 74 Cb 1.21 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2d89 h ASP 74 CO -0.69 0.58 -0.10 1.23 -2.88 0.00 0.00 179.24 177.37 2d89 h GLY 75 N 0.57 -0.30 0.26 -0.78 0.00 0.50 -1.95 103.07 101.36 2d89 h GLY 75 Ca 0.15 0.11 0.14 0.00 0.00 0.00 0.00 47.33 47.73 2d89 h GLY 75 CO -0.02 -0.11 0.41 0.74 0.00 0.00 0.00 176.54 177.57 2d89 h PHE 76 N -0.99 0.72 -0.05 5.60 0.04 -0.29 0.64 116.94 122.60 2d89 h PHE 76 Ca -0.03 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 2d89 h PHE 76 Cb 0.43 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2d89 h PHE 76 CO 0.05 0.18 -0.46 0.00 -0.60 0.00 0.00 178.31 177.48 2d89 h ALA 77 N 1.54 1.14 -0.73 2.45 0.00 -1.04 -2.44 119.26 120.17 2d89 h ALA 77 Ca 0.44 -0.43 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2d89 h ALA 77 Cb 0.60 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.17 2d89 h ALA 77 CO -0.35 0.60 -0.12 1.03 0.00 0.00 0.00 179.25 180.41 2d89 h SER 78 N 0.10 -0.57 -0.25 0.00 0.87 -0.04 0.12 113.55 113.78 2d89 h SER 78 Ca 0.01 0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.62 2d89 h SER 78 Cb 0.85 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2d89 h SER 78 CO 0.06 -0.22 -0.43 0.16 -0.53 0.00 0.00 176.83 175.88 2d89 h ILE 79 N 0.03 1.28 0.00 2.23 3.07 -1.56 -3.46 117.51 119.10 2d89 h ILE 79 Ca 0.37 -1.61 0.00 0.00 1.55 0.00 0.00 64.86 65.17 2d89 h ILE 79 Cb 0.60 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2d89 h ILE 79 CO -0.72 0.53 0.00 0.61 -1.05 0.00 0.00 178.15 177.51 2d89 n GLY 80 N 0.14 0.00 3.26 0.16 0.00 0.41 -5.12 105.19 104.04 2d89 n GLY 80 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.74 0.14 -0.61 1.01 -0.92 -4.97 121.20 120.59 2d89 s ILE 81 Ca 0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 60.65 58.64 2d89 s ILE 81 Cb 0.00 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 38.23 2d89 s ILE 81 CO 0.00 -0.83 1.20 -1.20 0.00 0.00 0.00 174.94 174.11 2d89 n SER 82 N 5.04 1.34 -4.57 3.58 7.64 -1.26 -3.44 113.62 121.95 2d89 n SER 82 Ca -0.10 1.14 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 2d89 n SER 82 Cb 0.40 -1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 62.37 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 -0.10 3.55 -0.13 1.43 1.70 -1.26 -4.89 118.95 119.25 2d89 s ARG 83 Ca 0.77 0.21 -0.15 0.00 -0.47 0.00 0.00 55.73 56.09 2d89 s ARG 83 Cb -0.90 -3.92 -0.25 0.00 -0.57 0.00 0.00 34.95 29.30 2d89 s ARG 83 CO 0.51 -1.24 0.43 -0.07 -1.08 0.00 0.00 175.30 173.85 2d89 h LEU 84 N 10.63 0.30-10.06 -1.89 4.07 -1.97 -3.47 115.31 112.93 2d89 h LEU 84 Ca -0.24 -0.81 -0.54 0.00 0.08 0.00 0.00 57.88 56.38 2d89 h LEU 84 Cb 1.07 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 2d89 h LEU 84 CO 1.04 1.65 -0.33 -0.22 -1.08 0.00 0.00 178.44 179.49 2d89 s LEU 85 N -7.50 4.23 0.12 1.67 2.96 -1.26 -5.11 118.68 113.78 2d89 s LEU 85 Ca -0.22 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 2d89 s LEU 85 Cb 0.05 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2d89 s LEU 85 CO 0.73 -0.04 -0.07 -1.61 -1.32 0.00 0.00 176.35 174.04 2d89 s GLU 86 N -3.29 2.23 -0.02 1.98 0.41 -1.26 -5.00 118.70 113.74 2d89 s GLU 86 Ca 0.38 -1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 53.67 2d89 s GLU 86 Cb -0.11 -2.34 -0.19 0.00 -1.78 0.00 0.00 34.13 29.70 2d89 s GLU 86 CO 0.29 0.50 1.23 -1.00 -0.49 0.00 0.00 175.26 175.78 2d89 h PRO 87 N 3.40 -0.06 -0.27 0.39 0.13 -1.88 -3.22 132.00 130.49 2d89 h PRO 87 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2d89 h PRO 87 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2d89 h PRO 87 CO 0.54 0.40 -0.06 0.66 -0.23 0.00 0.00 178.00 179.31 2d89 h SER 88 N -0.55 0.41 -0.96 1.44 4.64 -1.87 -2.60 113.55 114.06 2d89 h SER 88 Ca -0.01 -0.08 0.15 0.00 -0.47 0.00 0.00 61.79 61.38 2d89 h SER 88 Cb 0.49 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.39 2d89 h SER 88 CO 0.01 0.52 0.61 0.44 -0.87 0.00 0.00 176.83 177.54 2d89 h ASP 89 N 0.41 0.77 -0.55 4.97 5.19 -1.97 0.72 116.42 125.96 2d89 h ASP 89 Ca 0.09 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2d89 h ASP 89 Cb 0.37 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 2d89 h ASP 89 CO 0.02 0.36 0.24 0.24 -3.12 0.00 0.00 179.24 176.98 2d89 h MET 90 N 0.80 0.86 0.05 3.56 2.86 -1.49 -2.96 114.93 118.61 2d89 h MET 90 Ca 0.50 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2d89 h MET 90 Cb 0.72 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2d89 h MET 90 CO -0.27 0.70 -0.02 0.28 1.06 0.00 0.00 176.91 178.66 2d89 h VAL 91 N 0.85 1.31 -0.86 -2.22 2.07 -0.99 -3.31 116.25 113.09 2d89 h VAL 91 Ca 0.20 -1.34 0.12 0.00 0.82 0.00 0.00 66.70 66.51 2d89 h VAL 91 Cb 0.16 2.17 -0.14 0.00 -1.52 0.00 0.00 31.29 31.96 2d89 h VAL 91 CO -0.02 0.33 -0.42 -0.07 0.02 0.00 0.00 177.57 177.41 2d89 h LEU 92 N -0.68 -1.52-10.57 2.57 3.38 -1.08 -3.41 115.31 104.00 2d89 h LEU 92 Ca -0.01 0.29 -0.45 0.00 0.09 0.00 0.00 57.88 57.80 2d89 h LEU 92 Cb 0.59 0.75 0.05 0.00 0.09 0.00 0.00 40.66 42.13 2d89 h LEU 92 CO 0.01 -0.29 -0.06 -1.48 0.09 0.00 0.00 178.44 176.71 2d89 s LEU 93 N -10.77 3.24 -0.19 1.67 0.05 -1.13 -5.06 118.68 106.48 2d89 s LEU 93 Ca -0.14 -0.36 -0.18 0.00 0.05 0.00 0.00 54.13 53.50 2d89 s LEU 93 Cb 0.17 -2.33 -0.14 0.00 -2.05 0.00 0.00 46.19 41.84 2d89 s LEU 93 CO 0.69 -1.29 0.06 0.00 -0.55 0.00 0.00 176.35 175.25 2d89 n ALA 94 N -2.35 0.72 -3.72 1.48 0.00 -1.26 -4.83 120.51 110.55 2d89 n ALA 94 Ca 0.11 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 2d89 n ALA 94 Cb 0.60 -0.35 -0.16 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.35 2.00 1.16 0.00 -1.09 -1.26 -4.96 121.20 114.71 2d89 s ILE 95 Ca -0.25 -0.94 -0.20 0.00 -2.23 0.00 0.00 60.65 57.03 2d89 s ILE 95 Cb 0.05 -1.78 0.29 0.00 -1.58 0.00 0.00 42.46 39.44 2d89 s ILE 95 CO 0.48 0.54 1.03 -0.81 -1.23 0.00 0.00 174.94 174.94 2d89 n PRO 96 N 4.15 -3.04 -3.23 2.79 -0.04 -1.26 -4.98 135.00 129.38 2d89 n PRO 96 Ca -0.20 -1.65 -0.46 0.00 -0.04 0.00 0.00 63.50 61.16 2d89 n PRO 96 Cb 0.51 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -4.28 6.37 0.14 3.54 1.11 -1.26 -4.94 116.67 117.35 2d89 s ASP 97 Ca 0.67 -1.94 -0.17 0.00 0.18 0.00 0.00 52.55 51.29 2d89 s ASP 97 Cb -0.07 -2.25 0.07 0.00 1.07 0.00 0.00 42.92 41.75 2d89 s ASP 97 CO 0.51 -0.87 1.11 1.17 1.18 0.00 0.00 175.17 178.28 2d89 n LYS 98 N 5.30 -0.24 -0.40 8.23 4.81 -1.26 -0.01 118.16 134.59 2d89 n LYS 98 Ca -0.03 1.10 -0.11 0.00 -0.87 0.00 0.00 58.31 58.40 2d89 n LYS 98 Cb 0.43 -1.62 -0.10 0.00 0.02 0.00 0.00 35.03 33.76 2d89 n LYS 98 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 2d89 h LEU 99 N 0.00 -2.12 0.65 3.14 -0.00 -1.92 0.27 115.31 115.33 2d89 h LEU 99 Ca 0.19 0.32 -0.03 0.00 -0.00 0.00 0.00 57.88 58.36 2d89 h LEU 99 Cb 0.37 0.93 -0.01 0.00 -0.00 0.00 0.00 40.66 41.95 2d89 h LEU 99 CO -0.70 -0.23 -0.47 0.74 -0.00 0.00 0.00 178.44 177.78 2d89 h THR 100 N -0.02 0.00 -0.66 0.15 2.02 -0.84 -1.21 112.91 112.35 2d89 h THR 100 Ca 0.15 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.40 2d89 h THR 100 Cb 0.41 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.73 2d89 h THR 100 CO -0.91 0.00 -0.52 0.58 0.37 0.00 0.00 175.52 175.04 2d89 h VAL 101 N -1.07 0.00 -0.82 3.16 2.07 -0.41 0.22 116.25 119.40 2d89 h VAL 101 Ca -0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.60 2d89 h VAL 101 Cb 0.88 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 2d89 h VAL 101 CO 0.05 0.00 0.36 0.24 0.02 0.00 0.00 177.57 178.24 2d89 h MET 102 N -0.16 0.47 -0.47 1.57 2.86 -0.45 -0.64 114.93 118.11 2d89 h MET 102 Ca 0.11 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 2d89 h MET 102 Cb 0.44 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2d89 h MET 102 CO -0.71 0.31 0.15 1.15 1.06 0.00 0.00 176.91 178.87 2d89 h THR 103 N 0.49 0.81 0.19 2.22 2.02 0.66 -2.38 112.91 116.91 2d89 h THR 103 Ca 0.47 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 2d89 h THR 103 Cb 0.74 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2d89 h THR 103 CO -0.42 0.06 -0.09 0.22 0.37 0.00 0.00 175.52 175.65 2d89 h TYR 104 N 0.31 -0.23 -0.45 3.16 3.20 0.17 -3.16 116.97 119.97 2d89 h TYR 104 Ca 0.23 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2d89 h TYR 104 Cb 0.26 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 2d89 h TYR 104 CO -0.18 -0.12 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.62 2d89 h LEU 105 N -0.28 -1.81 -0.85 2.82 3.38 -0.99 0.14 115.31 117.71 2d89 h LEU 105 Ca -0.03 0.24 0.34 0.00 0.09 0.00 0.00 57.88 58.52 2d89 h LEU 105 Cb 0.22 0.75 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 2d89 h LEU 105 CO 0.04 -0.37 0.39 -1.22 0.09 0.00 0.00 178.44 177.37 2d89 n TYR 106 N -5.23 0.92 0.10 1.13 4.01 -0.93 0.90 117.16 118.06 2d89 n TYR 106 Ca -0.03 1.01 -0.12 0.00 -0.16 0.00 0.00 57.90 58.60 2d89 n TYR 106 Cb 0.32 -1.37 -0.05 0.00 -0.31 0.00 0.00 39.34 37.92 2d89 n TYR 106 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2d89 h GLN 107 N 0.00 -0.37 0.69 -0.72 1.08 -0.75 0.73 115.11 115.77 2d89 h GLN 107 Ca 0.69 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.88 2d89 h GLN 107 Cb 1.77 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 29.29 2d89 h GLN 107 CO -0.68 -0.25 -0.33 0.82 -0.95 0.00 0.00 178.83 177.44 2d89 h ILE 108 N -0.38 0.22 -0.67 2.54 5.03 0.56 0.78 117.51 125.59 2d89 h ILE 108 Ca 0.03 -0.20 0.13 0.00 -0.12 0.00 0.00 64.86 64.70 2d89 h ILE 108 Cb 0.42 0.27 -0.04 0.00 -3.03 0.00 0.00 36.82 34.44 2d89 h ILE 108 CO -0.14 0.02 0.45 -0.09 -0.68 0.00 0.00 178.15 177.71 2d89 h ARG 109 N -1.09 0.36 -0.18 2.37 1.12 -1.22 -1.02 114.38 114.73 2d89 h ARG 109 Ca -0.09 -0.02 -0.19 0.00 -1.11 0.00 0.00 59.98 58.56 2d89 h ARG 109 Cb 0.74 -0.08 0.01 0.00 -0.01 0.00 0.00 29.97 30.63 2d89 h ARG 109 CO 0.16 0.24 -0.63 0.00 -3.11 0.00 0.00 179.97 176.63 2d89 h ALA 110 N 1.67 0.32 0.14 2.80 0.00 0.67 0.02 119.26 124.89 2d89 h ALA 110 Ca 0.32 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2d89 h ALA 110 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2d89 h ALA 110 CO -0.09 0.59 -0.18 1.25 0.00 0.00 0.00 179.25 180.81 2d89 h HIS 111 N 0.46 -0.48 -0.02 0.00 -0.00 0.48 -3.10 115.15 112.48 2d89 h HIS 111 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2d89 h HIS 111 Cb 1.26 0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.86 2d89 h HIS 111 CO 0.09 -0.27 -0.02 0.74 -0.00 0.00 0.00 177.93 178.46 2d89 h PHE 112 N -0.38 0.06 -3.69 5.26 0.04 -1.49 -3.41 116.94 113.33 2d89 h PHE 112 Ca 0.01 -0.02 -0.68 0.00 2.80 0.00 0.00 57.97 60.08 2d89 h PHE 112 Cb 0.37 -0.01 -0.32 0.00 2.20 0.00 0.00 35.95 38.19 2d89 h PHE 112 CO -0.16 0.55 -0.71 0.45 -0.60 0.00 0.00 178.31 177.84 2d89 s SER 113 N -5.78 4.76 1.14 2.17 0.15 -0.01 -5.11 113.70 111.02 2d89 s SER 113 Ca -0.16 -1.13 -0.17 0.00 0.70 0.00 0.00 55.95 55.19 2d89 s SER 113 Cb 0.02 -1.71 0.26 0.00 -1.71 0.00 0.00 66.02 62.88 2d89 s SER 113 CO 0.69 -0.22 1.09 -0.44 1.20 0.00 0.00 173.24 175.56 2d89 s SER 114 N 1.29 1.40 0.00 5.45 0.01 -1.18 -3.84 113.70 116.83 2d89 s SER 114 Ca -0.03 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2d89 s SER 114 Cb -0.19 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2d89 s SER 114 CO -0.02 -3.85 0.00 0.61 0.41 0.00 0.00 173.24 170.39 2d89 n GLY 115 N -0.82 0.25 3.57 3.44 0.00 -1.26 -4.74 105.19 105.63 2d89 n GLY 115 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 0.13 2.89 -1.12 1.61 0.04 -1.26 -4.46 135.00 132.83 2d89 s PRO 116 Ca 0.00 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 2d89 s PRO 116 Cb 0.00 -4.31 0.09 0.00 0.04 0.00 0.00 34.50 30.32 2d89 s PRO 116 CO 0.00 -2.41 1.48 -1.12 0.04 0.00 0.00 177.00 174.99 2d89 s SER 117 N 7.22 6.72 -1.34 6.66 0.01 -1.26 -4.19 113.70 127.51 2d89 s SER 117 Ca 0.70 -2.13 -0.08 0.00 1.31 0.00 0.00 55.95 55.76 2d89 s SER 117 Cb -0.15 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.58 2d89 s SER 117 CO 0.25 -1.20 1.12 -0.24 0.41 0.00 0.00 173.24 173.59 2d89 n SER 118 N 7.77 -5.29 0.00 2.44 2.88 -1.26 -5.22 113.62 114.94 2d89 n SER 118 Ca 0.37 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 2d89 n SER 118 Cb 0.48 -4.92 0.00 0.00 -0.75 0.00 0.00 64.21 59.02 2d89 n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42