#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 5.40 0.26 1.61 1.04 -1.26 -5.08 113.70 115.67 2d89 s SER 2 Ca 0.00 1.54 0.07 0.00 0.48 0.00 0.00 55.95 58.04 2d89 s SER 2 Cb 0.00 -2.43 -0.06 0.00 0.10 0.00 0.00 66.02 63.64 2d89 s SER 2 CO 0.00 -1.42 -0.07 -0.94 0.98 0.00 0.00 173.24 171.79 2d89 s SER 3 N -3.87 2.68 0.27 7.02 1.04 -1.26 -5.16 113.70 114.41 2d89 s SER 3 Ca 0.58 -1.16 -0.20 0.00 0.48 0.00 0.00 55.95 55.64 2d89 s SER 3 Cb -0.14 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.85 2d89 s SER 3 CO 0.55 -0.32 0.69 -0.83 0.98 0.00 0.00 173.24 174.31 2d89 s GLY 4 N -3.41 -0.08 0.10 7.32 0.00 -1.26 -5.19 107.32 104.80 2d89 s GLY 4 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 2d89 s GLY 4 CO 0.11 -0.12 0.17 -1.35 0.00 0.00 0.00 173.10 171.91 2d89 s SER 5 N -2.92 0.17 0.10 1.64 1.04 -1.26 -5.18 113.70 107.30 2d89 s SER 5 Ca 0.11 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 2d89 s SER 5 Cb -0.05 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2d89 s SER 5 CO 0.06 -0.74 0.28 -0.55 0.98 0.00 0.00 173.24 173.27 2d89 s SER 6 N -2.90 -0.03 0.00 7.02 0.15 -1.26 -5.18 113.70 111.50 2d89 s SER 6 Ca 0.08 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2d89 s SER 6 Cb 0.05 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2d89 s SER 6 CO -0.08 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2d89 n GLY 7 N -0.10 7.11 0.00 9.45 0.00 -1.26 -4.99 105.19 115.41 2d89 n GLY 7 Ca -0.16 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 0.49 -0.25 1.61 -0.04 -1.26 -4.07 135.00 131.47 2d89 n PRO 8 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2d89 n PRO 8 Cb 0.00 -1.36 0.15 0.00 -0.04 0.00 0.00 33.50 32.25 2d89 n PRO 8 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2d89 n ASN 9 N -0.86 -0.18 -3.99 3.54 6.94 -1.26 -4.47 115.26 114.98 2d89 n ASN 9 Ca 0.08 1.22 -0.08 0.00 -0.02 0.00 0.00 54.58 55.78 2d89 n ASN 9 Cb 0.04 -0.40 -0.10 0.00 -2.36 0.00 0.00 39.78 36.96 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2d89 s ALA 10 N -5.78 0.16 0.28 -2.53 0.00 -1.26 -5.04 121.76 107.58 2d89 s ALA 10 Ca -0.10 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2d89 s ALA 10 Cb 0.20 0.25 0.65 0.00 0.00 0.00 0.00 23.12 24.22 2d89 s ALA 10 CO 0.56 -0.32 1.71 0.66 0.00 0.00 0.00 175.76 178.37 2d89 h SER 11 N 3.61 0.32 -0.90 0.00 4.64 -1.93 -0.44 113.55 118.85 2d89 h SER 11 Ca -0.33 0.14 0.35 0.00 -0.47 0.00 0.00 61.79 61.48 2d89 h SER 11 Cb 1.17 0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 63.25 2d89 h SER 11 CO 0.54 0.04 0.53 1.67 -0.87 0.00 0.00 176.83 178.74 2d89 n GLN 12 N -5.03 -0.04 -0.04 4.77 7.27 -1.26 -0.99 117.38 122.06 2d89 n GLN 12 Ca 0.20 1.06 -0.02 0.00 0.07 0.00 0.00 57.00 58.31 2d89 n GLN 12 Cb 0.58 -1.96 -0.01 0.00 2.41 0.00 0.00 30.24 31.25 2d89 n GLN 12 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2d89 h SER 13 N 0.00 -0.27 -0.84 1.69 4.64 -1.32 -0.92 113.55 116.54 2d89 h SER 13 Ca 0.68 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 62.12 2d89 h SER 13 Cb 1.96 0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 64.05 2d89 h SER 13 CO -0.52 -0.04 -0.57 0.25 -0.87 0.00 0.00 176.83 175.08 2d89 h LEU 14 N -0.02 -2.06 -1.98 5.97 5.85 -1.28 1.21 115.31 123.00 2d89 h LEU 14 Ca 0.02 0.30 0.40 0.00 0.84 0.00 0.00 57.88 59.44 2d89 h LEU 14 Cb 0.06 0.90 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 2d89 h LEU 14 CO -0.11 -0.27 0.99 0.25 -0.34 0.00 0.00 178.44 178.97 2d89 h LEU 15 N -0.10 0.01 0.00 2.25 5.85 -1.42 1.21 115.31 123.12 2d89 h LEU 15 Ca 0.14 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 2d89 h LEU 15 Cb 0.45 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2d89 h LEU 15 CO -0.84 -0.00 -1.29 0.58 -0.34 0.00 0.00 178.44 176.55 2d89 h VAL 16 N 0.01 0.72 -0.41 1.05 2.07 0.26 -3.11 116.25 116.84 2d89 h VAL 16 Ca 0.66 -2.27 -0.13 0.00 0.82 0.00 0.00 66.70 65.78 2d89 h VAL 16 Cb 2.63 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 34.62 2d89 h VAL 16 CO -0.02 0.41 -0.26 -0.25 0.02 0.00 0.00 177.57 177.47 2d89 h TRP 17 N 0.00 0.98 0.00 1.57 7.01 0.53 -1.88 115.95 124.16 2d89 h TRP 17 Ca -0.15 -0.24 -0.00 0.00 2.11 0.00 0.00 58.89 60.61 2d89 h TRP 17 Cb 1.65 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.48 2d89 h TRP 17 CO 0.00 1.01 -0.01 0.00 -2.79 0.00 0.00 178.44 176.65 2d89 h LYS 19 N -0.78 0.00 0.00 0.00 1.57 -1.59 -0.86 116.57 114.91 2d89 h LYS 19 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2d89 h LYS 19 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2d89 h LYS 19 CO 0.00 0.00 -0.11 1.49 -0.57 0.00 0.00 179.45 180.26 2d89 h GLU 20 N 0.00 0.00 0.00 3.15 4.22 -1.32 -3.19 114.58 117.44 2d89 h GLU 20 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2d89 h GLU 20 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2d89 h GLU 20 CO 0.00 0.30 -0.04 -0.39 -2.18 0.00 0.00 179.01 176.70 2d89 h VAL 21 N -1.00 0.15 -0.82 0.32 -1.51 -1.32 -2.12 116.25 109.95 2d89 h VAL 21 Ca -0.02 -0.38 -0.38 0.00 -1.23 0.00 0.00 66.70 64.69 2d89 h VAL 21 Cb 0.36 1.32 -0.23 0.00 -2.13 0.00 0.00 31.29 30.62 2d89 h VAL 21 CO -0.01 0.03 0.43 0.35 -1.23 0.00 0.00 177.57 177.15 2d89 n THR 22 N -3.22 3.02 -2.48 7.19 -2.24 -0.35 -4.65 114.28 111.55 2d89 n THR 22 Ca -0.01 -1.98 -0.42 0.00 -2.27 0.00 0.00 64.05 59.36 2d89 n THR 22 Cb 0.22 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 2d89 n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2d89 s LYS 23 N -3.21 4.33 -0.78 -0.78 1.02 -0.80 -3.28 119.74 116.25 2d89 s LYS 23 Ca 0.54 1.63 -0.05 0.00 0.02 0.00 0.00 55.97 58.12 2d89 s LYS 23 Cb 0.46 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 2d89 s LYS 23 CO 0.10 -0.49 0.68 0.09 -0.92 0.00 0.00 175.35 174.81 2d89 n ASN 24 N 5.48 -4.46 -4.97 2.83 3.02 -1.26 -5.03 115.26 110.88 2d89 n ASN 24 Ca 0.11 -0.31 -0.21 0.00 -0.03 0.00 0.00 54.58 54.15 2d89 n ASN 24 Cb 0.46 -3.11 0.04 0.00 -0.61 0.00 0.00 39.78 36.56 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2d89 s TYR 25 N -3.18 2.79 -1.49 3.10 1.51 -1.20 -4.98 117.35 113.89 2d89 s TYR 25 Ca 0.33 -0.08 -0.10 0.00 -1.01 0.00 0.00 57.07 56.21 2d89 s TYR 25 Cb -0.14 -2.71 0.01 0.00 -0.11 0.00 0.00 41.96 39.01 2d89 s TYR 25 CO 0.42 -0.85 2.54 -2.13 -1.11 0.00 0.00 175.55 174.42 2d89 n ARG 26 N -2.30 3.64 -0.47 -0.62 0.63 -1.26 -4.50 116.66 111.78 2d89 n ARG 26 Ca 0.08 -2.70 0.00 0.00 -0.92 0.00 0.00 57.85 54.32 2d89 n ARG 26 Cb 0.60 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 30.60 2d89 n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2d89 n GLY 27 N 3.28 -0.39 2.80 5.14 0.00 -1.26 -5.04 105.19 109.71 2d89 n GLY 27 Ca 0.64 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.16 -0.42 -0.06 1.61 1.01 -1.26 -4.91 120.40 116.20 2d89 s VAL 28 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2d89 s VAL 28 Cb 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2d89 s VAL 28 CO 0.00 -0.25 -0.14 -1.59 0.00 0.00 0.00 175.10 173.12 2d89 s LYS 29 N 2.40 1.84 -0.62 2.72 0.00 -1.26 -4.96 119.74 119.85 2d89 s LYS 29 Ca 0.09 -0.49 0.05 0.00 0.00 0.00 0.00 55.97 55.62 2d89 s LYS 29 Cb -0.15 -1.51 0.15 0.00 0.00 0.00 0.00 37.83 36.32 2d89 s LYS 29 CO -0.19 0.08 0.39 0.42 0.00 0.00 0.00 175.35 176.05 2d89 s ILE 30 N 0.53 2.73 -0.11 3.79 1.09 -1.26 -4.86 121.20 123.10 2d89 s ILE 30 Ca -0.13 -3.84 0.20 0.00 -1.10 0.00 0.00 60.65 55.78 2d89 s ILE 30 Cb -0.15 -2.84 -0.26 0.00 -1.06 0.00 0.00 42.46 38.15 2d89 s ILE 30 CO 0.04 -0.92 0.42 1.07 -0.10 0.00 0.00 174.94 175.46 2d89 n THR 31 N 2.48 0.66 -3.96 2.92 5.66 -1.26 -5.00 114.28 115.78 2d89 n THR 31 Ca 0.13 -0.65 -0.09 0.00 -3.05 0.00 0.00 64.05 60.39 2d89 n THR 31 Cb 0.34 -0.28 -0.07 0.00 -1.55 0.00 0.00 70.33 68.77 2d89 n THR 31 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2d89 s ASN 32 N -5.07 0.09 -0.58 1.09 0.01 -1.26 -5.06 114.94 104.17 2d89 s ASN 32 Ca -0.08 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 2d89 s ASN 32 Cb 0.10 0.40 0.45 0.00 0.41 0.00 0.00 41.25 42.61 2d89 s ASN 32 CO 0.86 -0.84 1.81 0.49 -1.51 0.00 0.00 177.10 177.91 2d89 n PHE 33 N -0.17 3.11 0.00 2.20 3.72 -1.26 -4.12 117.46 120.95 2d89 n PHE 33 Ca -0.09 -2.80 0.00 0.00 -0.05 0.00 0.00 57.45 54.51 2d89 n PHE 33 Cb 0.63 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 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 -0.84 0.00 0.14 4.37 -2.24 -1.26 -4.31 114.28 110.13 2d89 n THR 34 Ca 0.57 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 62.11 2d89 n THR 34 Cb 0.72 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.29 -1.42 4.28 1.35 -1.93 -2.14 112.91 114.35 2d89 h THR 35 Ca 0.00 -2.69 0.41 0.00 -0.55 0.00 0.00 66.41 63.59 2d89 h THR 35 Cb 0.00 2.99 -0.07 0.00 -1.73 0.00 0.00 68.15 69.34 2d89 h THR 35 CO 0.00 0.81 1.00 -1.28 -0.25 0.00 0.00 175.52 175.80 2d89 h SER 36 N 0.16 0.07 0.00 5.36 0.87 -1.90 0.46 113.55 118.58 2d89 h SER 36 Ca -0.24 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2d89 h SER 36 Cb 2.13 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 64.10 2d89 h SER 36 CO 0.27 -0.01 -1.79 0.79 -0.53 0.00 0.00 176.83 175.56 2d89 n TRP 37 N -4.21 0.00 -0.32 2.24 7.02 -1.24 -4.35 117.44 116.58 2d89 n TRP 37 Ca 0.32 0.00 0.31 0.00 -1.02 0.00 0.00 57.50 57.11 2d89 n TRP 37 Cb 1.46 -0.42 0.57 0.00 -2.42 0.00 0.00 31.31 30.50 2d89 n TRP 37 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2d89 h ARG 38 N 0.00 0.01 0.18 -0.99 2.43 0.65 0.28 114.38 116.94 2d89 h ARG 38 Ca -0.05 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2d89 h ARG 38 Cb 0.89 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2d89 h ARG 38 CO 0.00 0.01 -0.09 -2.95 -1.51 0.00 0.00 179.97 175.43 2d89 h ASN 39 N 0.01 -0.21 0.00 -3.80 -1.07 -1.79 -3.45 115.58 105.28 2d89 h ASN 39 Ca 0.83 -0.21 0.00 0.00 0.07 0.00 0.00 56.30 56.99 2d89 h ASN 39 Cb 2.18 0.05 0.00 0.00 -2.07 0.00 0.00 38.32 38.48 2d89 h ASN 39 CO -0.77 0.34 0.00 0.61 0.07 0.00 0.00 177.43 177.67 2d89 n GLY 40 N 0.91 1.45 0.35 9.14 0.00 0.09 -3.68 105.19 113.45 2d89 n GLY 40 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.59 -0.32 0.99 4.77 -1.26 0.12 117.00 120.71 2d89 n LEU 41 Ca 0.00 1.60 -0.02 0.00 -0.03 0.00 0.00 56.01 57.56 2d89 n LEU 41 Cb 0.00 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2d89 n LEU 41 CO 0.00 -1.44 1.23 0.28 -1.33 0.00 0.00 177.39 176.13 2d89 h SER 42 N 0.00 0.96 0.11 -1.43 0.02 -1.90 0.39 113.55 111.70 2d89 h SER 42 Ca 0.32 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2d89 h SER 42 Cb 0.55 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2d89 h SER 42 CO -0.91 0.67 -0.05 -0.26 -1.14 0.00 0.00 176.83 175.14 2d89 h PHE 43 N 1.12 -0.14 0.57 3.45 0.04 0.62 -2.71 116.94 119.90 2d89 h PHE 43 Ca 0.33 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 2d89 h PHE 43 Cb -0.05 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.15 2d89 h PHE 43 CO -0.02 -0.06 -0.28 0.00 -0.60 0.00 0.00 178.31 177.36 2d89 n ALA 45 N -2.70 0.26 0.31 0.00 0.00 0.14 0.16 120.51 118.69 2d89 n ALA 45 Ca -0.10 0.79 -0.19 0.00 0.00 0.00 0.00 53.44 53.94 2d89 n ALA 45 Cb 0.32 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 2d89 n ALA 45 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d89 h ILE 46 N 0.00 0.00 -0.15 0.00 2.04 -1.50 -0.73 117.51 117.18 2d89 h ILE 46 Ca 0.39 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.29 2d89 h ILE 46 Cb 0.69 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2d89 h ILE 46 CO -0.72 0.00 0.21 0.25 0.00 0.00 0.00 178.15 177.89 2d89 h LEU 47 N -1.05 0.00 -0.29 1.44 5.85 -0.27 0.76 115.31 121.75 2d89 h LEU 47 Ca -0.07 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.45 2d89 h LEU 47 Cb 0.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2d89 h LEU 47 CO -0.05 0.00 -0.86 -0.74 -0.34 0.00 0.00 178.44 176.45 2d89 h HIS 48 N 0.00 0.41 -0.46 1.25 2.76 0.28 -2.62 115.15 116.76 2d89 h HIS 48 Ca 0.07 -0.21 0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2d89 h HIS 48 Cb 0.50 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 2d89 h HIS 48 CO 0.00 1.01 0.12 1.25 -1.30 0.00 0.00 177.93 179.02 2d89 h HIS 49 N 0.16 0.21 -0.09 5.26 -0.00 0.55 -1.92 115.15 119.32 2d89 h HIS 49 Ca -0.05 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.22 2d89 h HIS 49 Cb 1.48 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 28.87 2d89 h HIS 49 CO 0.04 0.04 -0.44 0.74 -0.00 0.00 0.00 177.93 178.32 2d89 h PHE 50 N 0.27 0.62 -2.58 5.26 -1.00 -1.60 -3.43 116.94 114.48 2d89 h PHE 50 Ca 0.23 -0.27 -0.39 0.00 2.81 0.00 0.00 57.97 60.35 2d89 h PHE 50 Cb 0.27 -0.10 -0.37 0.00 3.61 0.00 0.00 35.95 39.36 2d89 h PHE 50 CO -0.19 1.03 -0.68 1.03 -1.61 0.00 0.00 178.31 177.89 2d89 s ARG 51 N -3.67 0.20 0.00 1.51 1.81 -0.99 -5.00 118.95 112.82 2d89 s ARG 51 Ca -0.13 -0.06 0.11 0.00 -1.72 0.00 0.00 55.73 53.92 2d89 s ARG 51 Cb 0.05 -1.18 0.64 0.00 -0.45 0.00 0.00 34.95 34.01 2d89 s ARG 51 CO 0.81 -0.81 1.07 -0.35 -0.68 0.00 0.00 175.30 175.34 2d89 n PRO 52 N 5.30 0.49 -0.10 3.54 -0.04 -0.75 -2.76 135.00 140.67 2d89 n PRO 52 Ca -0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.26 2d89 n PRO 52 Cb 0.47 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.84 2.28 -0.51 3.54 8.00 -1.26 -4.50 116.55 123.26 2d89 n ASP 53 Ca 0.08 -0.02 0.42 0.00 0.71 0.00 0.00 54.79 55.97 2d89 n ASP 53 Cb 0.04 -0.37 0.71 0.00 -0.02 0.00 0.00 41.12 41.48 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d89 h LEU 54 N -0.17 0.16 0.00 0.64 3.38 -1.84 -3.41 115.31 114.07 2d89 h LEU 54 Ca -0.44 0.09 -0.37 0.00 0.09 0.00 0.00 57.88 57.25 2d89 h LEU 54 Cb 1.61 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 2d89 h LEU 54 CO -0.12 -0.13 -0.29 -0.38 0.09 0.00 0.00 178.44 177.61 2d89 n ILE 55 N -4.46 0.00 -1.39 1.22 -0.00 -1.26 -4.88 119.36 108.58 2d89 n ILE 55 Ca 0.39 -1.45 0.05 0.00 -0.00 0.00 0.00 62.75 61.74 2d89 n ILE 55 Cb 1.60 0.40 0.19 0.00 -0.00 0.00 0.00 39.64 41.83 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 -1.45 2.19 0.33 4.38 8.00 -1.26 -4.73 116.55 124.01 2d89 n ASP 56 Ca -0.08 -3.61 0.14 0.00 0.71 0.00 0.00 54.79 51.95 2d89 n ASP 56 Cb 0.38 -0.53 0.76 0.00 -0.02 0.00 0.00 41.12 41.71 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 0.82 0.00 0.00 1.24 5.03 -1.94 0.23 116.97 122.35 2d89 h TYR 57 Ca 0.05 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2d89 h TYR 57 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.45 2d89 h TYR 57 CO 0.61 0.00 -0.04 1.57 -1.32 0.00 0.00 178.16 178.98 2d89 h LYS 58 N 0.00 0.00 -0.18 1.82 2.10 -1.86 -2.84 116.57 115.61 2d89 h LYS 58 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 2d89 h LYS 58 Cb 0.77 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 31.79 2d89 h LYS 58 CO -0.00 0.04 -0.91 0.43 -2.00 0.00 0.00 179.45 177.01 2d89 n SER 59 N -3.97 1.72 -3.50 7.07 7.64 0.79 -5.09 113.62 118.28 2d89 n SER 59 Ca -0.03 -2.63 -0.12 0.00 1.01 0.00 0.00 58.87 57.10 2d89 n SER 59 Cb 0.13 -0.40 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.24 0.00 -3.56 -3.43 4.77 -1.06 -5.09 117.00 108.39 2d89 n LEU 60 Ca 0.13 -1.25 -0.06 0.00 -0.03 0.00 0.00 56.01 54.80 2d89 n LEU 60 Cb 0.95 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2d89 n LEU 60 CO 0.03 -0.72 0.88 0.20 -1.33 0.00 0.00 177.39 176.45 2d89 s ASN 61 N -3.19 -0.23 0.00 -1.43 0.02 -1.26 -5.01 114.94 103.85 2d89 s ASN 61 Ca 0.36 0.01 0.10 0.00 -1.02 0.00 0.00 52.86 52.31 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 0.24 -0.39 1.05 -0.81 0.02 0.00 0.00 177.10 177.20 2d89 n PRO 62 N -0.14 0.49 0.17 -0.60 -0.04 -1.26 -2.59 135.00 131.03 2d89 n PRO 62 Ca -0.03 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2d89 n PRO 62 Cb 0.60 -1.33 0.32 0.00 -0.04 0.00 0.00 33.50 33.05 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 -4.77 0.54 -0.00 -1.98 -3.42 115.11 105.48 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 -0.24 0.00 -0.00 0.00 0.00 27.48 27.24 2d89 h GLN 63 CO 0.00 0.00 -0.58 -0.51 -0.00 0.00 0.00 178.83 177.74 2d89 s ASP 64 N -5.34 5.37 -0.25 0.06 1.01 -1.07 -4.96 116.67 111.49 2d89 s ASP 64 Ca 0.08 -0.66 -0.14 0.00 0.71 0.00 0.00 52.55 52.54 2d89 s ASP 64 Cb 0.09 -1.95 -0.15 0.00 1.01 0.00 0.00 42.92 41.92 2d89 s ASP 64 CO 0.62 -0.21 -0.17 -0.38 0.21 0.00 0.00 175.17 175.23 2d89 n ILE 65 N 4.93 1.54 -0.01 0.77 5.41 -1.26 -3.85 119.36 126.89 2d89 n ILE 65 Ca -0.14 -0.32 -0.12 0.00 1.00 0.00 0.00 62.75 63.17 2d89 n ILE 65 Cb 0.48 -1.88 -0.10 0.00 -0.71 0.00 0.00 39.64 37.43 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 -0.88 -0.06 0.43 0.38 3.64 -1.78 -3.19 116.57 115.11 2d89 h LYS 66 Ca -0.60 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.77 2d89 h LYS 66 Cb 1.58 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 2d89 h LYS 66 CO -0.33 0.57 -0.30 1.49 -2.27 0.00 0.00 179.45 178.61 2d89 h GLU 67 N -0.77 -0.67 -0.83 1.90 4.81 -1.89 -0.19 114.58 116.93 2d89 h GLU 67 Ca -0.01 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.43 2d89 h GLU 67 Cb 0.65 0.15 -0.16 0.00 0.63 0.00 0.00 28.75 30.03 2d89 h GLU 67 CO 0.01 -0.45 -0.21 0.09 -0.73 0.00 0.00 179.01 177.72 2d89 n ASN 68 N -4.21 -0.31 -0.05 1.04 4.13 -1.25 0.95 115.26 115.55 2d89 n ASN 68 Ca -0.08 1.42 -0.11 0.00 1.68 0.00 0.00 54.58 57.49 2d89 n ASN 68 Cb 0.30 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 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 0.27 -0.11 6.41 2.35 -1.49 -3.10 115.58 119.91 2d89 h ASN 69 Ca 0.39 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2d89 h ASN 69 Cb 0.60 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2d89 h ASN 69 CO -0.85 0.43 -0.16 0.50 -1.65 0.00 0.00 177.43 175.69 2d89 h LYS 70 N 0.11 -0.21 -1.08 0.81 1.63 0.25 -1.19 116.57 116.89 2d89 h LYS 70 Ca 0.06 0.01 0.31 0.00 -0.85 0.00 0.00 60.65 60.18 2d89 h LYS 70 Cb 0.26 0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 31.82 2d89 h LYS 70 CO 0.00 -0.14 0.67 0.87 -3.45 0.00 0.00 179.45 177.40 2d89 h LYS 71 N -0.21 0.34 0.02 1.90 1.57 -0.61 -1.62 116.57 117.95 2d89 h LYS 71 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2d89 h LYS 71 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2d89 h LYS 71 CO -0.24 0.22 -0.01 0.00 -0.57 0.00 0.00 179.45 178.85 2d89 h ALA 72 N 1.69 -0.51 -0.79 3.86 0.00 -1.17 -2.79 119.26 119.56 2d89 h ALA 72 Ca 0.68 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.89 2d89 h ALA 72 Cb 1.72 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 2d89 h ALA 72 CO -0.43 -0.51 0.32 0.66 0.00 0.00 0.00 179.25 179.29 2d89 n TYR 73 N -2.12 0.81 -0.13 0.00 4.01 -0.87 0.23 117.16 119.10 2d89 n TYR 73 Ca -0.00 0.94 -0.09 0.00 -0.16 0.00 0.00 57.90 58.58 2d89 n TYR 73 Cb 0.01 -1.29 -0.01 0.00 -0.31 0.00 0.00 39.34 37.74 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 0.54 0.09 7.72 1.82 -1.36 0.20 116.42 125.43 2d89 h ASP 74 Ca 0.62 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 57.07 2d89 h ASP 74 Cb 1.57 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.44 2d89 h ASP 74 CO -0.64 0.58 -0.04 1.23 -1.61 0.00 0.00 179.24 178.76 2d89 h GLY 75 N 0.47 -0.12 0.98 -0.78 0.00 0.32 -2.64 103.07 101.31 2d89 h GLY 75 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2d89 h GLY 75 CO -0.01 -0.04 0.03 0.74 0.00 0.00 0.00 176.54 177.26 2d89 h PHE 76 N -0.70 0.06 0.00 5.60 0.04 -0.75 -1.30 116.94 119.89 2d89 h PHE 76 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2d89 h PHE 76 Cb 0.55 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2d89 h PHE 76 CO 0.10 0.06 0.00 0.00 -0.60 0.00 0.00 178.31 177.88 2d89 n ALA 77 N -2.12 1.26 0.19 2.45 0.00 0.70 -1.84 120.51 121.16 2d89 n ALA 77 Ca -0.06 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2d89 n ALA 77 Cb 0.04 -1.20 0.39 0.00 0.00 0.00 0.00 19.45 18.68 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 0.00 0.24 0.00 0.87 -0.84 -3.05 113.55 110.77 2d89 h SER 78 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2d89 h SER 78 Cb 0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2d89 h SER 78 CO 0.00 0.34 -2.04 2.30 -0.53 0.00 0.00 176.83 176.90 2d89 n ILE 79 N -4.05 1.37 0.00 2.23 -5.35 -0.77 -4.98 119.36 107.82 2d89 n ILE 79 Ca -0.02 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 2d89 n ILE 79 Cb 0.39 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 2d89 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d89 n GLY 80 N 1.62 0.59 3.53 3.28 0.00 -1.15 -5.09 105.19 107.97 2d89 n GLY 80 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2d89 n GLY 80 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d89 n ILE 81 N 0.00 -0.05 -0.58 -0.61 5.41 -1.07 -4.86 119.36 117.60 2d89 n ILE 81 Ca 0.00 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 63.07 2d89 n ILE 81 Cb 0.00 -1.85 0.13 0.00 -0.71 0.00 0.00 39.64 37.20 2d89 n ILE 81 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2d89 n SER 82 N 13.91 -2.86 -4.05 4.38 7.64 -1.26 -2.75 113.62 128.63 2d89 n SER 82 Ca 0.49 -0.31 -0.39 0.00 1.01 0.00 0.00 58.87 59.67 2d89 n SER 82 Cb 0.35 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 2d89 n SER 82 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2d89 n ARG 83 N -1.21 3.29 0.07 1.43 0.00 -1.26 -4.72 116.66 114.26 2d89 n ARG 83 Ca 0.04 -4.52 -0.11 0.00 -0.00 0.00 0.00 57.85 53.26 2d89 n ARG 83 Cb 0.35 -2.45 -0.05 0.00 -0.00 0.00 0.00 32.46 30.32 2d89 n ARG 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2d89 h LEU 84 N 5.76 -0.44 -9.97 2.89 -0.00 -1.96 -3.43 115.31 108.15 2d89 h LEU 84 Ca 0.18 0.06 -0.49 0.00 -0.00 0.00 0.00 57.88 57.63 2d89 h LEU 84 Cb 0.75 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.55 2d89 h LEU 84 CO 1.01 -0.22 -0.50 -0.22 -0.00 0.00 0.00 178.44 178.51 2d89 s LEU 85 N -10.30 3.94 0.09 1.67 2.96 -1.26 -5.04 118.68 110.74 2d89 s LEU 85 Ca -0.15 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2d89 s LEU 85 Cb 0.08 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 2d89 s LEU 85 CO 0.66 -0.05 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.97 2d89 s GLU 86 N -3.88 2.29 0.03 1.98 8.01 -1.26 -5.04 118.70 120.83 2d89 s GLU 86 Ca 0.33 -0.94 -0.21 0.00 0.01 0.00 0.00 54.97 54.16 2d89 s GLU 86 Cb -0.08 -2.39 -0.15 0.00 -4.31 0.00 0.00 34.13 27.19 2d89 s GLU 86 CO 0.26 0.53 1.33 -1.00 0.01 0.00 0.00 175.26 176.39 2d89 h PRO 87 N 3.67 0.29 -0.27 0.39 0.13 -1.89 -3.19 132.00 131.12 2d89 h PRO 87 Ca -0.48 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.47 2d89 h PRO 87 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2d89 h PRO 87 CO 0.54 0.69 0.08 0.66 -0.23 0.00 0.00 178.00 179.74 2d89 h SER 88 N -0.11 0.40 -0.72 1.44 4.64 -1.91 -3.08 113.55 114.22 2d89 h SER 88 Ca 0.02 -0.21 0.14 0.00 -0.47 0.00 0.00 61.79 61.26 2d89 h SER 88 Cb 0.64 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 62.49 2d89 h SER 88 CO 0.03 0.51 -0.24 0.44 -0.87 0.00 0.00 176.83 176.70 2d89 h ASP 89 N 0.28 -0.86 -1.02 4.97 5.19 -1.99 0.87 116.42 123.85 2d89 h ASP 89 Ca 0.09 0.23 0.29 0.00 -0.62 0.00 0.00 57.03 57.02 2d89 h ASP 89 Cb 0.26 0.51 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 2d89 h ASP 89 CO -0.00 -0.27 0.73 0.24 -3.12 0.00 0.00 179.24 176.82 2d89 h MET 90 N -0.05 0.02 0.11 3.56 2.86 -1.52 -0.42 114.93 119.50 2d89 h MET 90 Ca 0.32 -0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.68 2d89 h MET 90 Cb 0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2d89 h MET 90 CO -0.76 0.02 -1.47 0.28 1.06 0.00 0.00 176.91 176.04 2d89 h VAL 91 N 0.03 0.98 -0.75 -2.22 2.07 0.54 -3.37 116.25 113.52 2d89 h VAL 91 Ca 0.49 -2.38 0.17 0.00 0.82 0.00 0.00 66.70 65.80 2d89 h VAL 91 Cb 1.92 2.66 -0.12 0.00 -1.52 0.00 0.00 31.29 34.23 2d89 h VAL 91 CO -0.02 0.70 0.11 -0.07 0.02 0.00 0.00 177.57 178.31 2d89 h LEU 92 N -0.31 -0.13-10.22 2.57 3.38 0.91 -3.41 115.31 108.10 2d89 h LEU 92 Ca -0.32 0.17 -0.47 0.00 0.09 0.00 0.00 57.88 57.35 2d89 h LEU 92 Cb 1.76 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2d89 h LEU 92 CO 0.04 -0.11 -0.36 -1.48 0.09 0.00 0.00 178.44 176.63 2d89 s LEU 93 N -10.67 3.61 -0.15 1.67 0.05 -0.82 -5.06 118.68 107.31 2d89 s LEU 93 Ca -0.13 -0.50 -0.27 0.00 0.05 0.00 0.00 54.13 53.28 2d89 s LEU 93 Cb 0.22 -2.36 -0.24 0.00 -2.05 0.00 0.00 46.19 41.76 2d89 s LEU 93 CO 0.76 -0.56 0.63 0.00 -0.55 0.00 0.00 176.35 176.63 2d89 h ALA 94 N 0.98 0.05 -3.30 1.48 0.00 -1.82 -3.46 119.26 113.19 2d89 h ALA 94 Ca -0.43 -0.63 -0.60 0.00 0.00 0.00 0.00 54.91 53.25 2d89 h ALA 94 Cb 1.26 0.15 -0.34 0.00 0.00 0.00 0.00 17.79 18.87 2d89 h ALA 94 CO 0.54 0.14 -0.85 0.42 0.00 0.00 0.00 179.25 179.51 2d89 s ILE 95 N -2.23 1.62 1.09 0.00 -1.09 -1.26 -4.97 121.20 114.36 2d89 s ILE 95 Ca -0.20 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.33 2d89 s ILE 95 Cb -0.01 -1.45 0.24 0.00 -1.58 0.00 0.00 42.46 39.65 2d89 s ILE 95 CO 0.65 0.46 1.10 -2.16 -1.23 0.00 0.00 174.94 173.76 2d89 s PRO 96 N 0.76 -0.35 -0.76 2.79 0.04 -1.26 -4.97 135.00 131.25 2d89 s PRO 96 Ca -0.11 0.25 -0.19 0.00 0.04 0.00 0.00 61.00 60.99 2d89 s PRO 96 Cb -0.16 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.83 2d89 s PRO 96 CO 0.02 -3.20 0.94 -0.51 0.04 0.00 0.00 177.00 174.29 2d89 s ASP 97 N -3.64 6.41 0.23 6.66 1.01 -1.26 -4.91 116.67 121.18 2d89 s ASP 97 Ca 0.68 -1.69 0.04 0.00 0.71 0.00 0.00 52.55 52.29 2d89 s ASP 97 Cb -0.15 -2.36 0.64 0.00 1.01 0.00 0.00 42.92 42.06 2d89 s ASP 97 CO 0.57 -1.12 1.13 1.17 0.21 0.00 0.00 175.17 177.13 2d89 n LYS 98 N 6.53 -0.05 -0.11 8.23 0.00 -1.26 0.18 118.16 131.68 2d89 n LYS 98 Ca 0.07 1.06 -0.05 0.00 0.00 0.00 0.00 58.31 59.39 2d89 n LYS 98 Cb 0.46 -1.73 0.02 0.00 0.00 0.00 0.00 35.03 33.78 2d89 n LYS 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2d89 h LEU 99 N 0.00 -0.18 0.43 3.14 3.38 -1.90 -0.34 115.31 119.84 2d89 h LEU 99 Ca 0.47 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 2d89 h LEU 99 Cb 1.05 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2d89 h LEU 99 CO -0.65 -0.05 -0.21 0.74 0.09 0.00 0.00 178.44 178.36 2d89 h THR 100 N 0.08 0.49 -0.20 0.22 2.02 0.16 -2.92 112.91 112.77 2d89 h THR 100 Ca 0.18 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.94 2d89 h THR 100 Cb 0.25 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 2d89 h THR 100 CO -0.31 0.07 -0.33 0.58 0.37 0.00 0.00 175.52 175.90 2d89 h VAL 101 N -0.87 0.00 -0.93 3.16 2.07 -1.08 -1.44 116.25 117.16 2d89 h VAL 101 Ca -0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.63 2d89 h VAL 101 Cb 0.56 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.16 2d89 h VAL 101 CO 0.10 0.00 -0.28 0.24 0.02 0.00 0.00 177.57 177.65 2d89 h MET 102 N -0.27 -0.01 -0.53 1.57 2.07 -1.15 0.18 114.93 116.80 2d89 h MET 102 Ca 0.04 0.00 0.10 0.00 -2.07 0.00 0.00 59.70 57.77 2d89 h MET 102 Cb 0.37 0.00 -0.11 0.00 -1.87 0.00 0.00 31.60 29.99 2d89 h MET 102 CO -0.33 -0.01 -0.28 1.15 1.07 0.00 0.00 176.91 178.52 2d89 h THR 103 N -0.01 0.26 0.58 2.22 2.02 -1.07 -0.43 112.91 116.47 2d89 h THR 103 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 2d89 h THR 103 Cb 0.65 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2d89 h THR 103 CO -0.95 0.00 -0.50 0.22 0.37 0.00 0.00 175.52 174.66 2d89 h TYR 104 N -0.15 -1.37 -0.63 3.16 3.20 -0.22 -2.96 116.97 118.01 2d89 h TYR 104 Ca 0.23 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.20 2d89 h TYR 104 Cb 0.52 0.52 -0.11 0.00 1.54 0.00 0.00 36.73 39.20 2d89 h TYR 104 CO -0.56 -0.69 -0.42 -0.07 -1.64 0.00 0.00 178.16 174.78 2d89 h LEU 105 N -1.06 -1.47 -1.49 2.82 3.38 -0.81 0.46 115.31 117.14 2d89 h LEU 105 Ca -0.07 0.25 0.44 0.00 0.09 0.00 0.00 57.88 58.59 2d89 h LEU 105 Cb 0.90 0.68 -0.12 0.00 0.09 0.00 0.00 40.66 42.21 2d89 h LEU 105 CO -0.02 -0.32 0.91 1.88 0.09 0.00 0.00 178.44 180.97 2d89 h TYR 106 N -0.19 0.45 -0.00 1.13 0.05 -0.93 0.54 116.97 118.01 2d89 h TYR 106 Ca 0.20 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 2d89 h TYR 106 Cb 0.56 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2d89 h TYR 106 CO -0.72 -0.17 0.00 1.96 -1.05 0.00 0.00 178.16 178.18 2d89 h GLN 107 N 0.08 0.00 0.76 4.88 1.08 0.05 -2.06 115.11 119.90 2d89 h GLN 107 Ca 0.82 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.98 2d89 h GLN 107 Cb 2.66 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 30.10 2d89 h GLN 107 CO -0.36 0.21 -0.36 0.82 -0.95 0.00 0.00 178.83 178.19 2d89 h ILE 108 N -0.20 0.17 -1.11 2.54 5.03 0.16 0.23 117.51 124.33 2d89 h ILE 108 Ca 0.00 -0.15 0.31 0.00 -0.12 0.00 0.00 64.86 64.90 2d89 h ILE 108 Cb 0.21 0.20 -0.10 0.00 -3.03 0.00 0.00 36.82 34.10 2d89 h ILE 108 CO -0.00 0.01 0.71 -0.09 -0.68 0.00 0.00 178.15 178.10 2d89 h ARG 109 N -1.14 0.30 -0.03 2.37 2.43 -1.33 0.25 114.38 117.23 2d89 h ARG 109 Ca -0.10 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 2d89 h ARG 109 Cb 0.80 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2d89 h ARG 109 CO 0.17 0.20 -0.84 0.00 -1.51 0.00 0.00 179.97 177.99 2d89 h ALA 110 N 1.62 0.14 -0.06 2.80 0.00 -1.13 0.11 119.26 122.75 2d89 h ALA 110 Ca 0.65 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2d89 h ALA 110 Cb 1.78 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2d89 h ALA 110 CO -0.33 0.57 -0.37 1.25 0.00 0.00 0.00 179.25 180.37 2d89 h HIS 111 N 0.26 -1.02 0.00 0.00 2.76 0.16 -1.82 115.15 115.49 2d89 h HIS 111 Ca -0.10 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 2d89 h HIS 111 Cb 1.51 0.46 0.00 0.00 1.55 0.00 0.00 27.41 30.93 2d89 h HIS 111 CO 0.11 -0.44 -0.04 0.74 -1.30 0.00 0.00 177.93 176.99 2d89 h PHE 112 N -0.48 0.04 -3.53 5.26 0.04 -1.52 -3.40 116.94 113.34 2d89 h PHE 112 Ca 0.07 -0.02 -0.71 0.00 2.80 0.00 0.00 57.97 60.11 2d89 h PHE 112 Cb 0.60 -0.00 -0.35 0.00 2.20 0.00 0.00 35.95 38.40 2d89 h PHE 112 CO -0.41 0.91 -0.27 0.45 -0.60 0.00 0.00 178.31 178.38 2d89 s SER 113 N -6.15 5.49 0.92 2.17 0.15 0.39 -5.08 113.70 111.59 2d89 s SER 113 Ca -0.18 -3.03 -0.10 0.00 0.70 0.00 0.00 55.95 53.34 2d89 s SER 113 Cb -0.02 -1.89 0.14 0.00 -1.71 0.00 0.00 66.02 62.54 2d89 s SER 113 CO 0.70 -0.34 1.06 -1.20 1.20 0.00 0.00 173.24 174.66 2d89 n SER 114 N 3.27 0.07 -2.48 5.45 7.64 -0.69 -3.81 113.62 123.06 2d89 n SER 114 Ca 0.11 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2d89 n SER 114 Cb 0.38 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2d89 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d89 n GLY 115 N 0.42 0.24 3.77 0.23 0.00 -1.26 -5.00 105.19 103.59 2d89 n GLY 115 Ca 0.11 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 0.59 4.10 -0.16 1.61 0.04 -1.26 -4.99 135.00 134.93 2d89 s PRO 116 Ca 0.00 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2d89 s PRO 116 Cb 0.00 -2.75 -0.17 0.00 0.04 0.00 0.00 34.50 31.62 2d89 s PRO 116 CO 0.00 -0.30 0.32 1.03 0.04 0.00 0.00 177.00 178.09 2d89 h SER 117 N 2.78 0.00 -3.84 6.66 0.87 -2.06 -3.47 113.55 114.48 2d89 h SER 117 Ca -0.49 -0.54 -0.48 0.00 -1.23 0.00 0.00 61.79 59.05 2d89 h SER 117 Cb 1.23 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 63.39 2d89 h SER 117 CO 0.63 1.08 0.15 -0.44 -0.53 0.00 0.00 176.83 177.72 2d89 s SER 118 N -6.30 2.28 0.00 6.23 0.01 -1.26 -5.33 113.70 109.33 2d89 s SER 118 Ca -0.19 1.80 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2d89 s SER 118 Cb 0.01 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2d89 s SER 118 CO 0.49 -3.44 0.00 0.61 0.41 0.00 0.00 173.24 171.31