#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 -0.48 -0.04 1.61 0.01 -1.26 -5.14 113.70 108.40 2d89 s SER 2 Ca 0.00 0.89 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 2d89 s SER 2 Cb 0.00 0.85 -0.03 0.00 0.21 0.00 0.00 66.02 67.05 2d89 s SER 2 CO 0.00 -0.17 1.02 -0.44 0.41 0.00 0.00 173.24 174.06 2d89 s SER 3 N 0.70 7.29 0.00 2.44 0.01 -1.26 -4.94 113.70 117.94 2d89 s SER 3 Ca -0.04 1.65 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2d89 s SER 3 Cb -0.05 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2d89 s SER 3 CO -0.05 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2d89 n GLY 4 N 3.02 4.82 3.42 3.44 0.00 -1.26 -5.18 105.19 113.45 2d89 n GLY 4 Ca 0.07 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 2d89 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d89 s SER 5 N 0.00 -0.49 0.27 1.61 0.01 -1.26 -5.18 113.70 108.66 2d89 s SER 5 Ca 0.00 0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.73 2d89 s SER 5 Cb 0.00 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 2d89 s SER 5 CO 0.00 -0.62 0.25 -0.44 0.41 0.00 0.00 173.24 172.85 2d89 s SER 6 N -1.49 5.63 0.12 2.44 0.01 -1.26 -5.03 113.70 114.12 2d89 s SER 6 Ca -0.09 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2d89 s SER 6 Cb -0.01 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2d89 s SER 6 CO 0.05 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2d89 n GLY 7 N -1.28 -1.94 3.77 3.44 0.00 -1.26 -4.88 105.19 103.04 2d89 n GLY 7 Ca -0.06 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.06 4.29 0.34 1.61 0.04 -1.26 -4.91 135.00 133.05 2d89 s PRO 8 Ca 0.00 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2d89 s PRO 8 Cb 0.00 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 2d89 s PRO 8 CO 0.00 -0.16 0.34 -0.80 0.04 0.00 0.00 177.00 176.42 2d89 s ASN 9 N -0.82 1.51 0.90 6.66 -0.87 -1.26 -5.00 114.94 116.06 2d89 s ASN 9 Ca 0.51 -1.70 -0.15 0.00 -1.57 0.00 0.00 52.86 49.95 2d89 s ASN 9 Cb -0.35 0.59 -0.07 0.00 -0.02 0.00 0.00 41.25 41.41 2d89 s ASN 9 CO 0.45 -1.14 -0.13 0.00 -2.57 0.00 0.00 177.10 173.71 2d89 n ALA 10 N -0.62 -3.71 -0.50 0.60 0.00 -1.26 -4.57 120.51 110.45 2d89 n ALA 10 Ca 0.06 -0.54 0.42 0.00 0.00 0.00 0.00 53.44 53.38 2d89 n ALA 10 Cb 0.62 -1.49 0.69 0.00 0.00 0.00 0.00 19.45 19.27 2d89 n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d89 n SER 11 N 1.20 0.18 -0.32 0.00 7.64 -1.26 -0.00 113.62 121.05 2d89 n SER 11 Ca 0.04 1.32 0.09 0.00 1.01 0.00 0.00 58.87 61.32 2d89 n SER 11 Cb 0.53 -0.65 0.20 0.00 -1.01 0.00 0.00 64.21 63.29 2d89 n SER 11 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2d89 h GLN 12 N 0.00 0.03 -0.80 1.43 4.15 -2.00 -0.29 115.11 117.63 2d89 h GLN 12 Ca 0.88 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 60.40 2d89 h GLN 12 Cb 2.95 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 30.52 2d89 h GLN 12 CO -0.40 0.02 -0.39 -1.13 -1.93 0.00 0.00 178.83 175.01 2d89 n SER 13 N -5.50 -0.67 0.34 -0.69 3.41 1.00 -0.99 113.62 110.52 2d89 n SER 13 Ca 0.18 1.41 -0.15 0.00 -0.26 0.00 0.00 58.87 60.04 2d89 n SER 13 Cb 0.59 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 2d89 n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2d89 h LEU 14 N 0.00 -0.93 -0.90 1.04 5.85 -1.25 -0.84 115.31 118.28 2d89 h LEU 14 Ca 0.21 0.05 0.37 0.00 0.84 0.00 0.00 57.88 59.35 2d89 h LEU 14 Cb 0.41 0.26 -0.15 0.00 0.37 0.00 0.00 40.66 41.55 2d89 h LEU 14 CO -0.77 -0.58 0.50 -0.11 -0.34 0.00 0.00 178.44 177.13 2d89 n LEU 15 N -4.74 0.29 0.03 2.25 7.94 -0.16 0.37 117.00 122.98 2d89 n LEU 15 Ca -0.12 1.42 -0.11 0.00 -1.11 0.00 0.00 56.01 56.10 2d89 n LEU 15 Cb 0.39 -0.70 -0.08 0.00 0.53 0.00 0.00 43.42 43.56 2d89 n LEU 15 CO 0.27 -1.59 0.42 0.58 -1.11 0.00 0.00 177.39 175.96 2d89 h VAL 16 N 0.00 0.98 -0.72 1.96 2.07 -0.69 -3.00 116.25 116.86 2d89 h VAL 16 Ca 0.74 -1.24 0.24 0.00 0.82 0.00 0.00 66.70 67.27 2d89 h VAL 16 Cb 2.01 1.66 -0.13 0.00 -1.52 0.00 0.00 31.29 33.31 2d89 h VAL 16 CO -0.65 0.26 0.18 1.87 0.02 0.00 0.00 177.57 179.25 2d89 n TRP 17 N -4.88 0.62 0.08 1.57 -0.00 0.16 -0.22 117.44 114.77 2d89 n TRP 17 Ca -0.08 0.86 -0.04 0.00 -0.00 0.00 0.00 57.50 58.24 2d89 n TRP 17 Cb 0.28 -1.14 -0.02 0.00 -0.00 0.00 0.00 31.31 30.43 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 -0.64 0.05 0.32 0.00 1.57 -0.78 0.92 116.57 118.01 2d89 h LYS 19 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2d89 h LYS 19 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2d89 h LYS 19 CO 0.04 0.03 -0.15 1.49 -0.57 0.00 0.00 179.45 180.30 2d89 h GLU 20 N 0.05 -0.41 0.00 3.15 4.57 -0.66 -0.72 114.58 120.57 2d89 h GLU 20 Ca 0.85 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 59.05 2d89 h GLU 20 Cb 2.60 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 31.28 2d89 h GLU 20 CO -0.49 -0.27 0.26 -0.39 -1.18 0.00 0.00 179.01 176.94 2d89 h VAL 21 N -0.51 0.00 -0.38 0.32 -1.51 -0.94 0.43 116.25 113.65 2d89 h VAL 21 Ca -0.04 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.30 2d89 h VAL 21 Cb 0.33 0.66 -0.07 0.00 -2.13 0.00 0.00 31.29 30.08 2d89 h VAL 21 CO 0.07 0.00 0.03 0.35 -1.23 0.00 0.00 177.57 176.79 2d89 n THR 22 N -2.79 2.51 -1.68 7.19 -2.24 0.16 -4.62 114.28 112.81 2d89 n THR 22 Ca -0.02 -2.22 -0.48 0.00 -2.27 0.00 0.00 64.05 59.06 2d89 n THR 22 Cb 0.31 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.77 2.16 -3.75 -0.78 4.76 0.15 -2.04 118.16 117.88 2d89 n LYS 23 Ca 0.30 0.79 -0.27 0.00 -2.87 0.00 0.00 58.31 56.26 2d89 n LYS 23 Cb 1.04 -2.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.63 2d89 n LYS 23 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2d89 n ASN 24 N 6.47 -3.03 -3.49 4.39 0.23 -1.26 -4.98 115.26 113.58 2d89 n ASN 24 Ca 0.22 -0.96 -0.12 0.00 -0.53 0.00 0.00 54.58 53.19 2d89 n ASN 24 Cb 0.29 -3.49 0.06 0.00 -2.08 0.00 0.00 39.78 34.57 2d89 n ASN 24 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2d89 n TYR 25 N -4.23 -3.00 -2.61 -2.53 4.02 -0.87 -4.99 117.16 102.95 2d89 n TYR 25 Ca -0.20 -1.04 -0.42 0.00 -0.01 0.00 0.00 57.90 56.22 2d89 n TYR 25 Cb 0.64 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 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 -3.81 3.83 -0.71 -0.72 6.06 -1.26 -4.26 118.95 118.09 2d89 s ARG 26 Ca 0.37 -1.71 -0.03 0.00 -2.50 0.00 0.00 55.73 51.85 2d89 s ARG 26 Cb -0.02 -5.42 -0.04 0.00 0.06 0.00 0.00 34.95 29.53 2d89 s ARG 26 CO 0.24 -2.19 0.63 0.41 -2.50 0.00 0.00 175.30 171.89 2d89 n GLY 27 N 5.86 -0.70 2.83 8.12 0.00 -1.26 -5.01 105.19 115.03 2d89 n GLY 27 Ca 0.41 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.21 2.19 -0.41 1.61 1.01 -1.26 -4.97 120.40 115.36 2d89 s VAL 28 Ca 0.25 -3.33 -0.03 0.00 0.00 0.00 0.00 61.98 58.87 2d89 s VAL 28 Cb -0.03 -2.50 0.11 0.00 0.00 0.00 0.00 36.38 33.96 2d89 s VAL 28 CO 0.54 -0.91 0.21 -0.75 0.00 0.00 0.00 175.10 174.19 2d89 s LYS 29 N -0.41 2.05 -1.33 2.72 2.47 -1.26 -4.84 119.74 119.14 2d89 s LYS 29 Ca 0.20 -1.80 -0.13 0.00 -1.56 0.00 0.00 55.97 52.68 2d89 s LYS 29 Cb -0.18 -3.60 0.11 0.00 -1.46 0.00 0.00 37.83 32.70 2d89 s LYS 29 CO -0.06 -1.07 1.89 -0.89 0.16 0.00 0.00 175.35 175.38 2d89 n ILE 30 N 4.62 3.96 0.05 5.43 -0.00 -1.26 -4.65 119.36 127.50 2d89 n ILE 30 Ca -0.03 -3.95 -0.05 0.00 -0.00 0.00 0.00 62.75 58.72 2d89 n ILE 30 Cb 0.41 -2.46 -0.10 0.00 -0.00 0.00 0.00 39.64 37.50 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 4.35 1.29 -4.78 1.39 1.03 -1.96 -3.48 112.91 110.76 2d89 h THR 31 Ca 0.45 -2.97 -0.48 0.00 -0.01 0.00 0.00 66.41 63.40 2d89 h THR 31 Cb 0.72 2.62 -0.12 0.00 -1.07 0.00 0.00 68.15 70.30 2d89 h THR 31 CO 1.61 0.74 -0.45 0.59 -0.01 0.00 0.00 175.52 178.00 2d89 n ASN 32 N -3.22 -0.18 -0.33 0.00 3.02 -1.26 -5.06 115.26 108.22 2d89 n ASN 32 Ca -0.04 -3.12 0.08 0.00 -0.03 0.00 0.00 54.58 51.47 2d89 n ASN 32 Cb 0.93 1.46 0.17 0.00 -0.61 0.00 0.00 39.78 41.72 2d89 n ASN 32 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2d89 n PHE 33 N -0.69 0.00 0.07 3.10 3.72 -1.26 -4.45 117.46 117.95 2d89 n PHE 33 Ca 0.04 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.24 2d89 n PHE 33 Cb 0.59 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.25 0.61 -0.08 4.37 -2.24 -1.26 -4.46 114.28 109.97 2d89 n THR 34 Ca 0.17 0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 62.00 2d89 n THR 34 Cb 0.67 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 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 1.51 -1.49 4.28 1.35 -1.93 -1.08 112.91 115.54 2d89 h THR 35 Ca 0.00 -2.22 0.43 0.00 -0.55 0.00 0.00 66.41 64.07 2d89 h THR 35 Cb 0.00 2.94 -0.06 0.00 -1.73 0.00 0.00 68.15 69.30 2d89 h THR 35 CO 0.00 0.51 1.16 -1.28 -0.25 0.00 0.00 175.52 175.66 2d89 h SER 36 N -1.00 0.00 0.00 5.36 0.87 -1.89 0.71 113.55 117.60 2d89 h SER 36 Ca -0.07 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.29 2d89 h SER 36 Cb 1.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.92 2d89 h SER 36 CO -0.04 0.00 -2.04 0.79 -0.53 0.00 0.00 176.83 175.01 2d89 n TRP 37 N -3.87 0.00 -0.30 2.24 7.02 -1.25 -4.40 117.44 116.88 2d89 n TRP 37 Ca 0.33 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.83 2d89 n TRP 37 Cb 1.62 -0.69 0.07 0.00 -2.42 0.00 0.00 31.31 29.90 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 -2.46 -0.13 0.25 -0.99 0.63 0.25 0.07 116.66 114.28 2d89 n ARG 38 Ca -0.20 1.23 -0.15 0.00 -0.92 0.00 0.00 57.85 57.81 2d89 n ARG 38 Cb 0.86 -1.84 -0.08 0.00 0.45 0.00 0.00 32.46 31.85 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 -0.51 0.00 6.15 7.08 -1.80 -3.46 115.58 123.04 2d89 h ASN 39 Ca 0.33 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.51 2d89 h ASN 39 Cb 0.53 0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.90 2d89 h ASN 39 CO -0.81 -0.28 0.00 0.61 -2.08 0.00 0.00 177.43 174.87 2d89 n GLY 40 N -1.03 1.59 0.14 9.14 0.00 0.11 -4.03 105.19 111.10 2d89 n GLY 40 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 2.57 0.19 0.99 4.77 -1.26 -3.48 117.00 120.78 2d89 n LEU 41 Ca 0.00 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 2d89 n LEU 41 Cb 0.00 -1.07 0.38 0.00 -2.33 0.00 0.00 43.42 40.40 2d89 n LEU 41 CO 0.00 0.84 0.71 0.28 -1.33 0.00 0.00 177.39 177.89 2d89 h SER 42 N 0.07 0.00 -0.04 -1.43 0.02 -1.90 0.68 113.55 110.95 2d89 h SER 42 Ca -0.42 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 2d89 h SER 42 Cb 2.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.58 2d89 h SER 42 CO 0.09 0.36 -0.32 -0.26 -1.14 0.00 0.00 176.83 175.56 2d89 h PHE 43 N 0.00 0.40 -0.00 3.45 0.04 -1.92 -2.66 116.94 116.25 2d89 h PHE 43 Ca -0.00 -0.19 -0.18 0.00 2.80 0.00 0.00 57.97 60.40 2d89 h PHE 43 Cb 0.79 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 2d89 h PHE 43 CO 0.00 0.94 -0.81 0.00 -0.60 0.00 0.00 178.31 177.84 2d89 h ALA 45 N 1.11 0.51 0.62 0.00 0.00 -0.92 -2.43 119.26 118.14 2d89 h ALA 45 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2d89 h ALA 45 Cb 1.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2d89 h ALA 45 CO 0.12 0.20 -0.37 0.82 0.00 0.00 0.00 179.25 180.02 2d89 h ILE 46 N 0.48 0.00 -0.18 0.00 2.04 -1.51 -1.43 117.51 116.91 2d89 h ILE 46 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2d89 h ILE 46 Cb 0.34 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2d89 h ILE 46 CO 0.00 0.00 0.43 0.25 0.00 0.00 0.00 178.15 178.83 2d89 h LEU 47 N -0.92 0.00 -0.01 1.44 5.85 -1.61 0.55 115.31 120.61 2d89 h LEU 47 Ca -0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2d89 h LEU 47 Cb 0.74 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.77 2d89 h LEU 47 CO 0.09 0.00 -0.43 -0.74 -0.34 0.00 0.00 178.44 177.02 2d89 h HIS 48 N 0.00 0.46 -0.79 1.25 2.76 -0.84 -2.18 115.15 115.81 2d89 h HIS 48 Ca 0.09 -0.24 0.17 0.00 -2.20 0.00 0.00 60.37 58.19 2d89 h HIS 48 Cb 0.94 -0.06 -0.14 0.00 1.55 0.00 0.00 27.41 29.70 2d89 h HIS 48 CO 0.00 1.04 -0.09 1.25 -1.30 0.00 0.00 177.93 178.83 2d89 h HIS 49 N -0.25 -0.22 -0.00 5.26 -0.00 0.14 -0.69 115.15 119.39 2d89 h HIS 49 Ca -0.05 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2d89 h HIS 49 Cb 1.15 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2d89 h HIS 49 CO 0.16 -0.31 -0.00 0.74 -0.00 0.00 0.00 177.93 178.52 2d89 h PHE 50 N 0.04 0.00 -3.02 5.26 0.04 -1.63 -3.42 116.94 114.21 2d89 h PHE 50 Ca 0.41 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.61 2d89 h PHE 50 Cb 0.70 -0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.45 2d89 h PHE 50 CO -0.52 0.72 -0.77 0.50 -0.60 0.00 0.00 178.31 177.64 2d89 s ARG 51 N -3.34 0.55 0.00 1.51 6.06 -0.64 -4.98 118.95 118.12 2d89 s ARG 51 Ca -0.17 -0.92 0.10 0.00 -2.50 0.00 0.00 55.73 52.24 2d89 s ARG 51 Cb -0.00 -1.71 0.61 0.00 0.06 0.00 0.00 34.95 33.91 2d89 s ARG 51 CO 0.68 -1.01 1.05 -0.35 -2.50 0.00 0.00 175.30 173.18 2d89 n PRO 52 N 4.93 0.49 -0.09 5.12 -0.04 -0.36 -2.52 135.00 142.52 2d89 n PRO 52 Ca -0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 2d89 n PRO 52 Cb 0.42 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.83 2.00 -0.34 3.54 -0.08 -1.26 -4.50 116.55 115.08 2d89 n ASP 53 Ca 0.08 -0.07 0.22 0.00 -1.51 0.00 0.00 54.79 53.50 2d89 n ASP 53 Cb 0.04 0.08 0.44 0.00 2.34 0.00 0.00 41.12 44.02 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2d89 h LEU 54 N 0.00 0.54 0.00 -2.67 3.38 -1.81 -3.42 115.31 111.33 2d89 h LEU 54 Ca -0.44 0.18 -0.34 0.00 0.09 0.00 0.00 57.88 57.36 2d89 h LEU 54 Cb 1.79 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.59 2d89 h LEU 54 CO -0.04 -0.07 -0.25 -0.38 0.09 0.00 0.00 178.44 177.79 2d89 n ILE 55 N -5.01 0.00 -1.46 1.22 -0.00 -1.26 -4.94 119.36 107.91 2d89 n ILE 55 Ca 0.30 -1.27 0.04 0.00 -0.00 0.00 0.00 62.75 61.82 2d89 n ILE 55 Cb 0.91 0.29 0.20 0.00 -0.00 0.00 0.00 39.64 41.03 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 2.10 0.29 4.38 8.00 -1.26 -4.74 116.55 124.06 2d89 n ASP 56 Ca -0.10 -3.72 0.11 0.00 0.71 0.00 0.00 54.79 51.79 2d89 n ASP 56 Cb 0.34 -0.55 0.61 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.90 0.00 -0.09 1.24 5.03 -1.87 0.28 116.97 122.46 2d89 h TYR 57 Ca 0.06 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 2d89 h TYR 57 Cb 1.20 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 2d89 h TYR 57 CO 0.72 0.00 -0.11 1.57 -1.32 0.00 0.00 178.16 179.02 2d89 h LYS 58 N 0.00 0.14 -0.11 1.82 2.10 -1.88 -3.01 116.57 115.63 2d89 h LYS 58 Ca 0.00 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.49 2d89 h LYS 58 Cb 0.80 -0.02 -0.21 0.00 -0.90 0.00 0.00 32.23 31.90 2d89 h LYS 58 CO 0.00 0.26 -0.76 0.43 -2.00 0.00 0.00 179.45 177.38 2d89 n SER 59 N -4.33 1.79 -3.49 7.07 7.64 0.96 -5.07 113.62 118.18 2d89 n SER 59 Ca -0.01 -3.10 -0.14 0.00 1.01 0.00 0.00 58.87 56.62 2d89 n SER 59 Cb 0.23 -0.43 0.08 0.00 -1.01 0.00 0.00 64.21 63.07 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2d89 n LEU 60 N -0.49 0.00 -3.56 -3.43 4.77 -0.97 -5.09 117.00 108.23 2d89 n LEU 60 Ca 0.16 -1.23 -0.06 0.00 -0.03 0.00 0.00 56.01 54.85 2d89 n LEU 60 Cb 0.88 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2d89 n LEU 60 CO 0.01 -0.82 0.87 0.20 -1.33 0.00 0.00 177.39 176.32 2d89 s ASN 61 N -3.50 -0.24 0.00 -1.43 0.02 -1.26 -5.01 114.94 103.53 2d89 s ASN 61 Ca 0.40 0.01 0.11 0.00 -1.02 0.00 0.00 52.86 52.36 2d89 s ASN 61 Cb -0.02 0.25 0.66 0.00 0.02 0.00 0.00 41.25 42.15 2d89 s ASN 61 CO 0.27 -0.40 1.09 -0.81 0.02 0.00 0.00 177.10 177.27 2d89 n PRO 62 N -0.14 0.49 0.01 -0.60 -0.04 -1.26 -2.58 135.00 130.88 2d89 n PRO 62 Ca -0.04 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2d89 n PRO 62 Cb 0.60 -1.35 0.59 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.85 0.03 -3.89 0.54 -0.00 -1.26 -4.62 117.38 107.33 2d89 n GLN 63 Ca 0.08 0.03 -0.35 0.00 -0.00 0.00 0.00 57.00 56.76 2d89 n GLN 63 Cb 0.04 -1.54 -0.14 0.00 -0.00 0.00 0.00 30.24 28.60 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 -3.18 4.76 -0.26 2.61 1.01 -1.07 -4.96 116.67 115.58 2d89 s ASP 64 Ca 0.13 -1.03 -0.07 0.00 0.71 0.00 0.00 52.55 52.30 2d89 s ASP 64 Cb 0.18 -1.74 -0.14 0.00 1.01 0.00 0.00 42.92 42.24 2d89 s ASP 64 CO 0.53 -0.21 -0.30 -0.38 0.21 0.00 0.00 175.17 175.03 2d89 n ILE 65 N 4.70 1.47 0.01 0.77 5.41 -1.26 -3.82 119.36 126.64 2d89 n ILE 65 Ca -0.15 -0.45 -0.18 0.00 1.00 0.00 0.00 62.75 62.97 2d89 n ILE 65 Cb 0.45 -1.67 -0.10 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.57 0.55 0.17 0.38 3.64 -1.81 -3.21 116.57 115.74 2d89 h LYS 66 Ca -0.64 -0.57 -0.01 0.00 -1.27 0.00 0.00 60.65 58.16 2d89 h LYS 66 Cb 1.72 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2d89 h LYS 66 CO -0.28 1.20 -0.08 1.49 -2.27 0.00 0.00 179.45 179.50 2d89 h GLU 67 N 0.14 -0.22 -0.71 1.90 4.81 -1.88 -2.18 114.58 116.43 2d89 h GLU 67 Ca -0.09 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2d89 h GLU 67 Cb 1.46 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.79 2d89 h GLU 67 CO 0.15 -0.15 -0.35 0.09 -0.73 0.00 0.00 179.01 178.02 2d89 n ASN 68 N -2.93 -0.61 0.19 1.04 4.13 -1.25 0.18 115.26 116.01 2d89 n ASN 68 Ca -0.03 1.25 -0.15 0.00 1.68 0.00 0.00 54.58 57.34 2d89 n ASN 68 Cb 0.09 -0.22 -0.07 0.00 -1.54 0.00 0.00 39.78 38.04 2d89 n ASN 68 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2d89 h ASN 69 N 0.00 -0.87 -0.86 6.41 2.35 -1.64 -2.34 115.58 118.63 2d89 h ASN 69 Ca 0.18 0.08 0.20 0.00 -0.55 0.00 0.00 56.30 56.21 2d89 h ASN 69 Cb 0.36 0.30 -0.12 0.00 0.05 0.00 0.00 38.32 38.91 2d89 h ASN 69 CO -0.69 -0.45 0.35 0.50 -1.65 0.00 0.00 177.43 175.50 2d89 h LYS 70 N -0.65 0.39 -0.15 0.81 1.63 0.42 -1.60 116.57 117.42 2d89 h LYS 70 Ca -0.01 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.81 2d89 h LYS 70 Cb 0.60 -0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 32.08 2d89 h LYS 70 CO -0.08 0.26 -0.49 0.87 -3.45 0.00 0.00 179.45 176.56 2d89 h LYS 71 N 0.40 -0.51 0.12 1.90 1.57 -0.08 -1.59 116.57 118.38 2d89 h LYS 71 Ca 0.52 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2d89 h LYS 71 Cb 0.93 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2d89 h LYS 71 CO -0.50 -0.34 -0.16 0.00 -0.57 0.00 0.00 179.45 177.87 2d89 h ALA 72 N -0.07 -0.81 -0.97 3.86 0.00 -1.16 -1.04 119.26 119.06 2d89 h ALA 72 Ca 0.06 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.29 2d89 h ALA 72 Cb 0.66 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2d89 h ALA 72 CO -0.43 -0.83 0.58 0.66 0.00 0.00 0.00 179.25 179.23 2d89 n TYR 73 N -3.33 0.79 -0.05 0.00 4.01 -0.98 0.23 117.16 117.82 2d89 n TYR 73 Ca -0.03 0.79 -0.14 0.00 -0.16 0.00 0.00 57.90 58.36 2d89 n TYR 73 Cb 0.14 -1.21 -0.07 0.00 -0.31 0.00 0.00 39.34 37.89 2d89 n TYR 73 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2d89 h ASP 74 N 0.00 0.57 -0.24 7.72 3.32 -0.52 0.15 116.42 127.42 2d89 h ASP 74 Ca 0.72 -0.56 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2d89 h ASP 74 Cb 2.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.47 2d89 h ASP 74 CO -0.52 1.02 -0.11 1.23 -1.72 0.00 0.00 179.24 179.15 2d89 h GLY 75 N 0.13 0.53 0.79 2.75 0.00 0.41 -0.59 103.07 107.09 2d89 h GLY 75 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 2d89 h GLY 75 CO 0.07 0.43 -0.35 0.74 0.00 0.00 0.00 176.54 177.44 2d89 h PHE 76 N 0.21 0.58 0.00 5.60 0.04 -0.62 -3.02 116.94 119.74 2d89 h PHE 76 Ca 0.05 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.59 2d89 h PHE 76 Cb 0.60 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2d89 h PHE 76 CO 0.06 0.96 0.00 0.00 -0.60 0.00 0.00 178.31 178.73 2d89 n ALA 77 N -2.50 1.74 0.11 2.45 0.00 0.52 -1.61 120.51 121.21 2d89 n ALA 77 Ca -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 2d89 n ALA 77 Cb 0.51 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 18.80 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 0.14 0.18 0.00 0.87 -0.96 -3.28 113.55 110.50 2d89 h SER 78 Ca 0.00 -0.08 -0.36 0.00 -1.23 0.00 0.00 61.79 60.12 2d89 h SER 78 Cb 0.30 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2d89 h SER 78 CO 0.00 0.74 -1.94 0.16 -0.53 0.00 0.00 176.83 175.26 2d89 h ILE 79 N 0.09 0.68 0.00 2.23 3.07 -1.59 -3.48 117.51 118.50 2d89 h ILE 79 Ca -0.01 -2.40 0.00 0.00 1.55 0.00 0.00 64.86 64.00 2d89 h ILE 79 Cb 1.15 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 2d89 h ILE 79 CO 0.09 0.85 0.00 0.61 -1.05 0.00 0.00 178.15 178.65 2d89 n GLY 80 N 1.93 0.00 3.56 0.16 0.00 -1.13 -5.08 105.19 104.63 2d89 n GLY 80 Ca -0.29 0.00 -0.17 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 3.05 -0.04 -0.61 1.01 -0.63 -4.87 121.20 119.11 2d89 s ILE 81 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 60.65 60.26 2d89 s ILE 81 Cb 0.00 -3.11 -0.14 0.00 0.01 0.00 0.00 42.46 39.22 2d89 s ILE 81 CO 0.00 -0.11 1.68 -1.54 0.00 0.00 0.00 174.94 174.98 2d89 n SER 82 N 17.99 2.82 -4.75 3.58 3.41 -1.26 -2.83 113.62 132.58 2d89 n SER 82 Ca 0.45 1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 59.70 2d89 n SER 82 Cb 0.45 -1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.05 2d89 n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d89 s ARG 83 N 2.54 4.58 -0.07 4.33 1.04 -1.26 -4.95 118.95 125.16 2d89 s ARG 83 Ca 0.89 1.81 -0.05 0.00 -1.04 0.00 0.00 55.73 57.34 2d89 s ARG 83 Cb -0.82 -3.22 -0.04 0.00 -2.04 0.00 0.00 34.95 28.84 2d89 s ARG 83 CO 0.50 0.09 -0.12 1.28 -0.04 0.00 0.00 175.30 177.01 2d89 n LEU 84 N 1.83 0.87 -4.79 -1.89 4.32 -1.26 -5.03 117.00 111.04 2d89 n LEU 84 Ca 0.01 0.14 -0.35 0.00 -0.02 0.00 0.00 56.01 55.79 2d89 n LEU 84 Cb 0.45 -0.33 -0.05 0.00 -1.62 0.00 0.00 43.42 41.86 2d89 n LEU 84 CO 0.55 -0.02 0.69 -0.22 -1.22 0.00 0.00 177.39 177.16 2d89 s LEU 85 N -6.73 4.08 -0.06 2.23 2.96 -1.26 -5.06 118.68 114.84 2d89 s LEU 85 Ca -0.12 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.63 2d89 s LEU 85 Cb 0.04 -4.31 -0.04 0.00 0.50 0.00 0.00 46.19 42.38 2d89 s LEU 85 CO 0.16 -0.41 0.12 -1.61 -1.32 0.00 0.00 176.35 173.29 2d89 s GLU 86 N -2.72 3.30 0.15 1.98 2.02 -1.26 -5.02 118.70 117.15 2d89 s GLU 86 Ca 0.59 -0.30 -0.09 0.00 0.02 0.00 0.00 54.97 55.19 2d89 s GLU 86 Cb -0.17 -3.04 -0.00 0.00 0.10 0.00 0.00 34.13 31.02 2d89 s GLU 86 CO 0.21 0.71 1.49 -1.00 0.02 0.00 0.00 175.26 176.70 2d89 h PRO 87 N 4.49 0.88 0.34 0.39 0.13 -1.91 -3.22 132.00 133.10 2d89 h PRO 87 Ca -0.51 -0.47 -0.02 0.00 -0.87 0.00 0.00 66.00 64.13 2d89 h PRO 87 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2d89 h PRO 87 CO 0.61 1.11 -0.16 1.03 -0.23 0.00 0.00 178.00 180.36 2d89 h SER 88 N 0.72 -0.39 -0.92 1.44 0.87 -1.90 -3.22 113.55 110.15 2d89 h SER 88 Ca 0.06 -0.15 0.33 0.00 -1.23 0.00 0.00 61.79 60.79 2d89 h SER 88 Cb 0.98 0.10 -0.17 0.00 -0.44 0.00 0.00 62.40 62.87 2d89 h SER 88 CO 0.09 0.05 0.28 -0.90 -0.53 0.00 0.00 176.83 175.83 2d89 n ASP 89 N -5.11 0.12 -0.23 6.23 5.68 -1.25 0.15 116.55 122.16 2d89 n ASP 89 Ca -0.09 1.55 0.01 0.00 -0.50 0.00 0.00 54.79 55.76 2d89 n ASP 89 Cb 0.27 -0.67 0.13 0.00 -1.14 0.00 0.00 41.12 39.71 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2d89 h MET 90 N 0.00 0.48 -0.08 0.11 2.86 -1.56 -1.52 114.93 115.22 2d89 h MET 90 Ca 0.68 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.27 2d89 h MET 90 Cb 1.65 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.20 2d89 h MET 90 CO -0.78 0.32 -0.02 0.28 1.06 0.00 0.00 176.91 177.77 2d89 h VAL 91 N 0.50 1.29 -0.00 -2.22 2.07 0.14 -3.31 116.25 114.71 2d89 h VAL 91 Ca 0.34 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2d89 h VAL 91 Cb 0.40 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2d89 h VAL 91 CO -0.30 0.26 -0.31 -0.07 0.02 0.00 0.00 177.57 177.17 2d89 h LEU 92 N -0.17 -0.96-10.46 2.57 3.38 -0.85 -3.42 115.31 105.41 2d89 h LEU 92 Ca 0.02 0.11 -0.49 0.00 0.09 0.00 0.00 57.88 57.61 2d89 h LEU 92 Cb 0.41 0.36 0.09 0.00 0.09 0.00 0.00 40.66 41.62 2d89 h LEU 92 CO 0.01 -0.30 0.38 -1.48 0.09 0.00 0.00 178.44 177.14 2d89 s LEU 93 N -8.02 2.73 -0.16 1.67 0.05 -0.62 -5.03 118.68 109.31 2d89 s LEU 93 Ca -0.09 1.18 -0.14 0.00 0.05 0.00 0.00 54.13 55.13 2d89 s LEU 93 Cb 0.04 -3.87 -0.10 0.00 -2.05 0.00 0.00 46.19 40.20 2d89 s LEU 93 CO 0.35 -1.66 0.07 0.00 -0.55 0.00 0.00 176.35 174.57 2d89 h ALA 94 N -0.87 0.09 -3.15 1.48 0.00 -1.82 -3.45 119.26 111.53 2d89 h ALA 94 Ca -0.46 -0.67 -0.67 0.00 0.00 0.00 0.00 54.91 53.11 2d89 h ALA 94 Cb 1.27 0.46 -0.33 0.00 0.00 0.00 0.00 17.79 19.19 2d89 h ALA 94 CO 0.62 0.45 -0.84 0.42 0.00 0.00 0.00 179.25 179.90 2d89 s ILE 95 N -2.18 2.32 1.26 0.00 -1.09 -1.26 -4.98 121.20 115.27 2d89 s ILE 95 Ca -0.18 -0.88 -0.21 0.00 -2.23 0.00 0.00 60.65 57.15 2d89 s ILE 95 Cb 0.03 -1.96 0.31 0.00 -1.58 0.00 0.00 42.46 39.26 2d89 s ILE 95 CO 0.36 0.53 1.11 -2.16 -1.23 0.00 0.00 174.94 173.55 2d89 s PRO 96 N 0.96 -1.67 -0.40 2.79 0.04 -1.26 -5.00 135.00 130.46 2d89 s PRO 96 Ca -0.03 -0.22 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 2d89 s PRO 96 Cb -0.15 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.85 2d89 s PRO 96 CO -0.04 -3.98 0.43 -0.51 0.04 0.00 0.00 177.00 172.95 2d89 s ASP 97 N -4.01 6.20 0.21 6.66 1.01 -1.26 -4.92 116.67 120.57 2d89 s ASP 97 Ca 0.72 -0.53 -0.14 0.00 0.71 0.00 0.00 52.55 53.31 2d89 s ASP 97 Cb -0.07 -2.22 0.24 0.00 1.01 0.00 0.00 42.92 41.88 2d89 s ASP 97 CO 0.56 -0.53 1.61 0.50 0.21 0.00 0.00 175.17 177.52 2d89 h LYS 98 N 8.66 -0.03 -0.62 8.23 3.64 -1.95 0.14 116.57 134.65 2d89 h LYS 98 Ca -0.27 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2d89 h LYS 98 Cb 1.12 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 2d89 h LYS 98 CO 0.78 -0.02 0.24 -0.07 -2.27 0.00 0.00 179.45 178.11 2d89 h LEU 99 N -0.03 0.25 0.36 5.20 3.38 -1.93 -0.67 115.31 121.88 2d89 h LEU 99 Ca 0.31 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 2d89 h LEU 99 Cb 0.51 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2d89 h LEU 99 CO -0.69 0.15 -0.17 0.74 0.09 0.00 0.00 178.44 178.55 2d89 h THR 100 N 0.43 0.00 -0.66 0.22 2.02 -1.22 -2.44 112.91 111.26 2d89 h THR 100 Ca 0.31 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.48 2d89 h THR 100 Cb 0.38 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.69 2d89 h THR 100 CO -0.30 0.00 -0.55 0.58 0.37 0.00 0.00 175.52 175.62 2d89 h VAL 101 N -0.55 0.00 -0.85 3.16 2.07 -0.93 0.16 116.25 119.31 2d89 h VAL 101 Ca -0.05 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.69 2d89 h VAL 101 Cb 0.37 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.00 2d89 h VAL 101 CO 0.08 0.00 0.11 0.24 0.02 0.00 0.00 177.57 178.03 2d89 h MET 102 N -0.19 0.13 0.05 1.57 2.07 -1.20 -0.95 114.93 116.42 2d89 h MET 102 Ca 0.11 -0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.75 2d89 h MET 102 Cb 0.48 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.13 2d89 h MET 102 CO -0.73 0.09 -0.52 1.15 1.07 0.00 0.00 176.91 177.97 2d89 h THR 103 N 0.14 0.02 -0.50 2.22 2.02 -0.17 0.19 112.91 116.82 2d89 h THR 103 Ca 0.51 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.78 2d89 h THR 103 Cb 0.98 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 2d89 h THR 103 CO -0.70 0.00 0.01 0.22 0.37 0.00 0.00 175.52 175.41 2d89 h TYR 104 N -0.70 -0.02 -0.04 3.16 3.20 -0.81 -2.03 116.97 119.72 2d89 h TYR 104 Ca 0.01 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2d89 h TYR 104 Cb 0.73 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2d89 h TYR 104 CO -0.48 -0.11 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.75 2d89 h LEU 105 N 0.12 -0.35 -1.70 2.82 3.38 -0.71 -1.46 115.31 117.41 2d89 h LEU 105 Ca 0.25 0.06 0.41 0.00 0.09 0.00 0.00 57.88 58.69 2d89 h LEU 105 Cb 0.38 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 2d89 h LEU 105 CO -0.41 -0.16 0.94 1.88 0.09 0.00 0.00 178.44 180.78 2d89 h TYR 106 N -0.18 0.28 -0.21 1.13 0.05 0.09 0.54 116.97 118.67 2d89 h TYR 106 Ca 0.06 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2d89 h TYR 106 Cb 0.26 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2d89 h TYR 106 CO -0.20 -0.05 -0.05 1.96 -1.05 0.00 0.00 178.16 178.77 2d89 h GLN 107 N 0.10 0.41 0.70 4.88 1.08 -1.07 -2.00 115.11 119.20 2d89 h GLN 107 Ca 0.73 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.74 2d89 h GLN 107 Cb 2.56 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 29.97 2d89 h GLN 107 CO -0.19 0.65 -0.34 0.82 -0.95 0.00 0.00 178.83 178.82 2d89 h ILE 108 N 0.14 0.00 -1.02 2.54 5.03 0.10 -1.14 117.51 123.17 2d89 h ILE 108 Ca 0.05 -0.26 0.26 0.00 -0.12 0.00 0.00 64.86 64.80 2d89 h ILE 108 Cb 0.49 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.16 2d89 h ILE 108 CO 0.02 0.00 0.61 -0.09 -0.68 0.00 0.00 178.15 178.01 2d89 h ARG 109 N -1.20 0.51 -0.33 2.37 2.43 -1.36 0.13 114.38 116.94 2d89 h ARG 109 Ca -0.10 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 2d89 h ARG 109 Cb 0.72 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2d89 h ARG 109 CO 0.16 0.34 -0.12 0.00 -1.51 0.00 0.00 179.97 178.84 2d89 h ALA 110 N 1.72 0.46 -0.04 2.80 0.00 -1.30 0.30 119.26 123.21 2d89 h ALA 110 Ca 0.65 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2d89 h ALA 110 Cb 1.33 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2d89 h ALA 110 CO -0.46 0.33 -0.42 1.25 0.00 0.00 0.00 179.25 179.95 2d89 h HIS 111 N 0.43 -1.18 0.25 0.00 -0.00 0.58 -3.24 115.15 112.00 2d89 h HIS 111 Ca 0.08 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 2d89 h HIS 111 Cb 0.63 0.52 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 2d89 h HIS 111 CO 0.05 -0.49 -0.12 0.74 -0.00 0.00 0.00 177.93 178.12 2d89 h PHE 112 N -0.55 -0.31 -3.72 5.26 0.04 -1.49 -3.43 116.94 112.74 2d89 h PHE 112 Ca 0.06 -0.01 -0.67 0.00 2.80 0.00 0.00 57.97 60.15 2d89 h PHE 112 Cb 0.64 0.10 -0.20 0.00 2.20 0.00 0.00 35.95 38.69 2d89 h PHE 112 CO -0.44 -0.15 -0.52 -1.12 -0.60 0.00 0.00 178.31 175.47 2d89 s SER 113 N -5.19 5.80 1.09 2.17 0.01 0.11 -5.09 113.70 112.61 2d89 s SER 113 Ca -0.06 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 56.65 2d89 s SER 113 Cb 0.00 -2.07 0.26 0.00 0.21 0.00 0.00 66.02 64.42 2d89 s SER 113 CO 0.19 -0.17 1.26 -0.44 0.41 0.00 0.00 173.24 174.48 2d89 s SER 114 N 1.68 1.96 0.00 2.44 0.01 -1.22 -3.37 113.70 115.20 2d89 s SER 114 Ca 0.06 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2d89 s SER 114 Cb -0.17 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2d89 s SER 114 CO 0.09 -3.45 0.00 0.61 0.41 0.00 0.00 173.24 170.89 2d89 n GLY 115 N -2.70 -1.82 3.56 3.44 0.00 -1.26 -4.81 105.19 101.60 2d89 n GLY 115 Ca 0.16 0.73 -0.31 0.00 0.00 0.00 0.00 46.02 46.60 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 2.58 0.14 1.61 0.04 -1.26 -4.39 135.00 133.71 2d89 s PRO 116 Ca 0.00 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.76 2d89 s PRO 116 Cb 0.00 -4.83 -0.06 0.00 0.04 0.00 0.00 34.50 29.65 2d89 s PRO 116 CO 0.00 -3.16 1.57 0.77 0.04 0.00 0.00 177.00 176.22 2d89 h SER 117 N 12.55 -1.50 -3.24 6.66 0.02 -2.03 -3.39 113.55 122.61 2d89 h SER 117 Ca -0.02 0.20 -0.45 0.00 -0.84 0.00 0.00 61.79 60.68 2d89 h SER 117 Cb 1.06 0.62 -0.39 0.00 0.14 0.00 0.00 62.40 63.83 2d89 h SER 117 CO 1.21 -0.42 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.17 2d89 s SER 118 N -4.95 1.95 0.00 3.07 0.15 -1.26 -5.27 113.70 107.39 2d89 s SER 118 Ca -0.15 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2d89 s SER 118 Cb 0.10 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2d89 s SER 118 CO 0.64 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.44