#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 s SER 2 N 0.00 -0.29 -0.17 1.61 1.04 -1.26 -5.16 113.70 109.47 2d85 s SER 2 Ca 0.00 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.99 2d85 s SER 2 Cb 0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2d85 s SER 2 CO 0.00 -1.08 -0.16 -0.55 0.98 0.00 0.00 173.24 172.42 2d85 s SER 3 N -2.87 3.00 0.00 7.02 0.15 -1.26 -5.02 113.70 114.73 2d85 s SER 3 Ca 0.09 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2d85 s SER 3 Cb -0.02 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 2d85 s SER 3 CO -0.03 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2d85 n GLY 4 N 4.68 3.14 3.10 9.45 0.00 -1.26 -5.17 105.19 119.13 2d85 n GLY 4 Ca -0.19 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 2d85 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d85 s SER 5 N 0.00 0.29 -0.03 1.61 0.15 -1.26 -5.16 113.70 109.30 2d85 s SER 5 Ca 0.00 -0.71 -0.00 0.00 0.70 0.00 0.00 55.95 55.93 2d85 s SER 5 Cb 0.00 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2d85 s SER 5 CO 0.00 -0.55 0.02 -0.44 1.20 0.00 0.00 173.24 173.48 2d85 s SER 6 N -2.43 0.60 0.00 5.45 0.01 -1.26 -5.12 113.70 110.95 2d85 s SER 6 Ca -0.01 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2d85 s SER 6 Cb 0.02 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2d85 s SER 6 CO -0.07 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2d85 n GLY 7 N 4.53 2.28 0.46 3.44 0.00 -1.26 -4.74 105.19 109.90 2d85 n GLY 7 Ca -0.19 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2d85 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d85 n ASN 8 N 0.00 2.11 0.06 1.61 2.85 -1.26 -4.51 115.26 116.12 2d85 n ASN 8 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 2d85 n ASN 8 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2d85 n ASP 9 N -2.66 0.61 0.09 1.20 9.92 -1.26 -4.19 116.55 120.25 2d85 n ASP 9 Ca 0.00 0.24 -0.23 0.00 -0.53 0.00 0.00 54.79 54.27 2d85 n ASP 9 Cb 0.46 0.82 -0.15 0.00 -0.64 0.00 0.00 41.12 41.62 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2d85 h ASP 10 N 0.00 0.63 0.00 -2.24 3.58 -1.90 -3.26 116.42 113.23 2d85 h ASP 10 Ca -0.04 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.48 2d85 h ASP 10 Cb 1.13 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2d85 h ASP 10 CO 0.01 1.62 0.00 0.00 -2.88 0.00 0.00 179.24 177.99 2d85 n ILE 11 N -3.85 1.15 -0.29 2.25 3.06 -1.26 -2.28 119.36 118.15 2d85 n ILE 11 Ca -0.19 0.71 0.19 0.00 -2.50 0.00 0.00 62.75 60.96 2d85 n ILE 11 Cb 0.99 -1.71 0.47 0.00 0.54 0.00 0.00 39.64 39.92 2d85 n ILE 11 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2d85 h ILE 12 N 0.00 0.64 0.16 9.51 2.04 -1.72 0.17 117.51 128.30 2d85 h ILE 12 Ca 0.00 -0.17 -0.27 0.00 1.00 0.00 0.00 64.86 65.42 2d85 h ILE 12 Cb 0.00 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2d85 h ILE 12 CO 0.00 0.09 -1.31 0.58 0.00 0.00 0.00 178.15 177.51 2d85 h VAL 13 N 0.49 1.20 0.48 1.67 2.07 -1.71 -3.28 116.25 117.16 2d85 h VAL 13 Ca 0.53 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 2d85 h VAL 13 Cb 1.21 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 2d85 h VAL 13 CO -0.26 0.75 -0.34 -1.13 0.02 0.00 0.00 177.57 176.61 2d85 h ASN 14 N -0.18 -0.88 -0.58 0.57 -0.73 -1.40 -2.23 115.58 110.15 2d85 h ASN 14 Ca -0.26 0.06 0.11 0.00 1.87 0.00 0.00 56.30 58.09 2d85 h ASN 14 Cb 1.85 0.27 -0.11 0.00 0.27 0.00 0.00 38.32 40.60 2d85 h ASN 14 CO 0.14 -0.52 -0.24 -0.25 -0.37 0.00 0.00 177.43 176.20 2d85 h TRP 15 N -0.80 -0.59 -0.38 0.67 7.01 -0.89 -0.40 115.95 120.57 2d85 h TRP 15 Ca -0.05 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.09 2d85 h TRP 15 Cb 0.67 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 28.01 2d85 h TRP 15 CO -0.13 -0.32 -0.13 0.28 -2.79 0.00 0.00 178.44 175.34 2d85 h VAL 16 N -0.09 0.55 0.49 2.65 2.07 -1.57 0.40 116.25 120.75 2d85 h VAL 16 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 2d85 h VAL 16 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2d85 h VAL 16 CO -0.64 0.00 -0.41 0.78 0.02 0.00 0.00 177.57 177.32 2d85 h ASN 17 N -0.05 -1.09 0.36 0.57 2.35 -0.51 -2.09 115.58 115.12 2d85 h ASN 17 Ca 0.19 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2d85 h ASN 17 Cb 0.33 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 2d85 h ASN 17 CO -0.42 -0.57 -0.47 -0.33 -1.65 0.00 0.00 177.43 173.99 2d85 h GLU 18 N -0.88 -0.83 -0.90 0.81 5.08 -0.96 0.39 114.58 117.30 2d85 h GLU 18 Ca -0.06 0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.64 2d85 h GLU 18 Cb 0.74 0.19 -0.17 0.00 0.50 0.00 0.00 28.75 30.01 2d85 h GLU 18 CO -0.00 -0.55 0.17 2.41 -1.00 0.00 0.00 179.01 180.04 2d85 n THR 19 N -5.24 -0.38 -0.04 1.13 -1.04 0.14 0.12 114.28 108.97 2d85 n THR 19 Ca -0.10 1.92 -0.16 0.00 -2.04 0.00 0.00 64.05 63.68 2d85 n THR 19 Cb 0.41 -2.91 -0.08 0.00 -1.82 0.00 0.00 70.33 65.94 2d85 n THR 19 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d85 h LEU 20 N 0.00 0.65 -0.26 -4.42 3.38 -0.72 -3.21 115.31 110.73 2d85 h LEU 20 Ca 0.62 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2d85 h LEU 20 Cb 1.41 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2d85 h LEU 20 CO -0.79 1.15 0.06 -0.09 0.09 0.00 0.00 178.44 178.85 2d85 h ARG 21 N 0.19 0.15 -1.00 1.13 2.43 0.31 0.90 114.38 118.49 2d85 h ARG 21 Ca -0.02 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.33 2d85 h ARG 21 Cb 1.10 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.51 2d85 h ARG 21 CO 0.10 0.10 0.61 0.93 -1.51 0.00 0.00 179.97 180.20 2d85 h GLU 22 N 0.16 0.73 -0.00 0.20 5.08 -0.70 0.59 114.58 120.63 2d85 h GLU 22 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2d85 h GLU 22 Cb 0.12 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2d85 h GLU 22 CO -0.16 0.48 -0.23 0.00 -1.00 0.00 0.00 179.01 178.11 2d85 n ALA 23 N -2.34 2.93 -2.87 3.43 0.00 -0.74 -4.94 120.51 115.99 2d85 n ALA 23 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2d85 n ALA 23 Cb 0.58 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.77 2d85 n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d85 n GLU 24 N -1.33 -3.25 -2.72 0.00 -0.58 0.21 -5.02 120.64 107.94 2d85 n GLU 24 Ca 0.08 0.36 -0.32 0.00 -0.42 0.00 0.00 57.16 56.86 2d85 n GLU 24 Cb 0.32 -3.95 -0.04 0.00 -0.57 0.00 0.00 31.44 27.20 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2d85 s LYS 25 N -5.29 3.96 -0.11 3.49 3.01 0.04 -4.97 119.74 119.88 2d85 s LYS 25 Ca 0.18 0.81 0.13 0.00 -1.01 0.00 0.00 55.97 56.08 2d85 s LYS 25 Cb -0.08 -2.26 0.57 0.00 -1.01 0.00 0.00 37.83 35.05 2d85 s LYS 25 CO 0.31 -0.09 1.42 0.43 0.51 0.00 0.00 175.35 177.93 2d85 n SER 26 N -1.13 3.94 -4.57 2.83 7.64 -1.26 -4.73 113.62 116.34 2d85 n SER 26 Ca 0.05 -2.43 -0.25 0.00 1.01 0.00 0.00 58.87 57.25 2d85 n SER 26 Cb 0.54 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2d85 n SER 26 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d85 s SER 27 N -0.74 4.18 -0.04 6.43 1.04 -1.26 -5.08 113.70 118.24 2d85 s SER 27 Ca 0.39 -0.72 -0.31 0.00 0.48 0.00 0.00 55.95 55.79 2d85 s SER 27 Cb 0.27 -0.66 0.12 0.00 0.10 0.00 0.00 66.02 65.85 2d85 s SER 27 CO 0.17 0.05 1.26 -0.44 0.98 0.00 0.00 173.24 175.26 2d85 s SER 28 N -3.32 -0.08 0.02 7.02 0.01 -1.26 -4.84 113.70 111.25 2d85 s SER 28 Ca 0.28 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.44 2d85 s SER 28 Cb -0.07 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 2d85 s SER 28 CO 0.17 -0.32 -0.07 0.27 0.41 0.00 0.00 173.24 173.71 2d85 s ILE 29 N -2.46 0.48 -0.16 1.44 -4.36 -1.26 -4.69 121.20 110.18 2d85 s ILE 29 Ca 0.13 -0.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 2d85 s ILE 29 Cb 0.04 -0.49 -0.23 0.00 1.25 0.00 0.00 42.46 43.03 2d85 s ILE 29 CO -0.04 -0.16 0.18 -0.24 0.24 0.00 0.00 174.94 174.91 2d85 n SER 30 N 2.12 1.68 -3.51 4.36 2.88 -1.26 -4.85 113.62 115.04 2d85 n SER 30 Ca -0.18 0.10 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 2d85 n SER 30 Cb 0.56 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.60 2d85 n SER 30 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d85 s SER 31 N -6.57 -0.34 0.52 -3.46 0.15 -1.26 -5.00 113.70 97.74 2d85 s SER 31 Ca -0.23 0.01 0.42 0.00 0.70 0.00 0.00 55.95 56.85 2d85 s SER 31 Cb 0.08 0.36 1.44 0.00 -1.71 0.00 0.00 66.02 66.18 2d85 s SER 31 CO 0.73 -0.57 1.38 0.49 1.20 0.00 0.00 173.24 176.46 2d85 n PHE 32 N -0.21 0.00 -1.47 3.44 3.72 -1.26 0.18 117.46 121.86 2d85 n PHE 32 Ca -0.08 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.97 2d85 n PHE 32 Cb 0.61 -0.41 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 2d85 n PHE 32 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2d85 n LYS 33 N -3.62 2.64 -3.03 -1.08 4.01 -1.26 -4.73 118.16 111.09 2d85 n LYS 33 Ca 0.37 -3.22 -0.39 0.00 -0.51 0.00 0.00 58.31 54.56 2d85 n LYS 33 Cb 1.76 -2.24 -0.06 0.00 -0.51 0.00 0.00 35.03 33.99 2d85 n LYS 33 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2d85 s ASP 34 N -1.42 7.30 0.07 4.39 -1.08 0.49 -4.99 116.67 121.43 2d85 s ASP 34 Ca 0.59 1.54 -0.17 0.00 -0.52 0.00 0.00 52.55 53.99 2d85 s ASP 34 Cb 0.47 -2.47 -0.11 0.00 -1.46 0.00 0.00 42.92 39.35 2d85 s ASP 34 CO -0.13 0.18 1.39 1.55 0.52 0.00 0.00 175.17 178.68 2d85 h PRO 35 N 4.63 0.55 -1.03 4.34 0.13 -1.94 -3.16 132.00 135.52 2d85 h PRO 35 Ca -0.47 -0.29 0.28 0.00 -0.87 0.00 0.00 66.00 64.65 2d85 h PRO 35 Cb 1.21 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 2d85 h PRO 35 CO 0.67 0.88 0.62 0.87 -0.23 0.00 0.00 178.00 180.80 2d85 h LYS 36 N 0.25 0.43 -1.17 0.86 1.79 -1.94 0.39 116.57 117.17 2d85 h LYS 36 Ca 0.04 -0.03 0.33 0.00 -2.18 0.00 0.00 60.65 58.81 2d85 h LYS 36 Cb 0.78 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.26 2d85 h LYS 36 CO 0.06 0.28 0.81 0.82 -1.08 0.00 0.00 179.45 180.34 2d85 h ILE 37 N 0.44 0.41 -0.73 1.86 2.04 -1.87 0.12 117.51 119.78 2d85 h ILE 37 Ca 0.67 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 66.63 2d85 h ILE 37 Cb 1.50 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 2d85 h ILE 37 CO -0.47 0.02 0.25 0.77 0.00 0.00 0.00 178.15 178.72 2d85 h SER 38 N 0.14 0.18 0.84 1.72 4.64 -0.40 0.54 113.55 121.20 2d85 h SER 38 Ca 0.60 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 2d85 h SER 38 Cb 2.08 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 2d85 h SER 38 CO -0.13 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.23 2d85 n THR 39 N -5.06 0.02 -1.92 2.95 -2.24 0.40 -4.62 114.28 103.81 2d85 n THR 39 Ca 0.14 0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 2d85 n THR 39 Cb 0.42 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 2d85 n THR 39 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2d85 n SER 40 N -1.43 -4.08 0.09 3.42 7.64 0.19 -4.88 113.62 114.58 2d85 n SER 40 Ca 0.09 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.95 2d85 n SER 40 Cb 0.30 -3.07 -0.08 0.00 -1.01 0.00 0.00 64.21 60.35 2d85 n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2d85 h LEU 41 N 0.00 -0.23 -1.47 -3.43 3.38 -1.78 0.30 115.31 112.08 2d85 h LEU 41 Ca -0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 2d85 h LEU 41 Cb 1.07 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2d85 h LEU 41 CO 0.35 0.20 -0.05 1.55 0.09 0.00 0.00 178.44 180.57 2d85 h PRO 42 N -0.70 0.00 0.03 1.13 0.13 -1.83 -0.27 132.00 130.48 2d85 h PRO 42 Ca -0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.79 2d85 h PRO 42 Cb 0.49 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.58 2d85 h PRO 42 CO 0.05 0.05 -1.83 0.28 -0.23 0.00 0.00 178.00 176.32 2d85 n VAL 43 N -3.18 1.64 -0.06 1.56 0.31 -1.20 -3.13 118.33 114.26 2d85 n VAL 43 Ca 0.00 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.47 2d85 n VAL 43 Cb 0.32 -1.19 -0.10 0.00 -0.91 0.00 0.00 33.84 31.96 2d85 n VAL 43 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2d85 h LEU 44 N 0.02 -0.00 -0.30 7.52 3.38 -0.26 -3.27 115.31 122.39 2d85 h LEU 44 Ca -0.34 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 56.90 2d85 h LEU 44 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2d85 h LEU 44 CO 0.08 0.86 0.17 0.44 0.09 0.00 0.00 178.44 180.07 2d85 h ASP 45 N -1.00 0.37 -0.73 -0.43 5.19 -1.23 -2.86 116.42 115.73 2d85 h ASP 45 Ca -0.00 -0.08 0.16 0.00 -0.62 0.00 0.00 57.03 56.49 2d85 h ASP 45 Cb 0.73 -0.09 -0.13 0.00 0.18 0.00 0.00 39.33 40.01 2d85 h ASP 45 CO 0.00 0.34 -0.07 0.25 -3.12 0.00 0.00 179.24 176.64 2d85 h LEU 46 N 0.37 -0.48 0.02 1.55 5.85 -1.70 0.18 115.31 121.09 2d85 h LEU 46 Ca 0.11 0.20 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2d85 h LEU 46 Cb 0.05 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2d85 h LEU 46 CO -0.02 -0.20 -0.10 0.40 -0.34 0.00 0.00 178.44 178.18 2d85 h ILE 47 N 0.06 0.75 -0.20 4.05 2.04 -1.56 -2.85 117.51 119.80 2d85 h ILE 47 Ca 0.38 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.27 2d85 h ILE 47 Cb 0.64 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2d85 h ILE 47 CO -0.69 0.00 0.00 -0.78 0.00 0.00 0.00 178.15 176.68 2d85 h ASP 48 N -0.18 -0.08 -0.94 1.72 3.58 -0.92 -1.85 116.42 117.75 2d85 h ASP 48 Ca 0.03 0.04 0.31 0.00 0.42 0.00 0.00 57.03 57.84 2d85 h ASP 48 Cb 0.22 0.08 -0.17 0.00 1.72 0.00 0.00 39.33 41.17 2d85 h ASP 48 CO -0.09 -0.01 0.22 0.00 -2.88 0.00 0.00 179.24 176.48 2d85 n ALA 49 N -2.32 0.68 -0.01 -0.78 0.00 0.46 -0.93 120.51 117.60 2d85 n ALA 49 Ca -0.02 0.99 -0.08 0.00 0.00 0.00 0.00 53.44 54.33 2d85 n ALA 49 Cb 0.11 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2d85 n ALA 49 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d85 h ILE 50 N 0.00 0.80 -3.54 0.00 2.04 -1.38 -3.42 117.51 112.02 2d85 h ILE 50 Ca 0.66 -1.43 -0.70 0.00 1.00 0.00 0.00 64.86 64.39 2d85 h ILE 50 Cb 1.56 1.46 -0.34 0.00 -0.74 0.00 0.00 36.82 38.75 2d85 h ILE 50 CO -0.82 0.25 -0.36 -1.58 0.00 0.00 0.00 178.15 175.64 2d85 s GLN 51 N -2.41 2.56 -0.14 2.37 -0.44 -0.11 -5.06 119.66 116.43 2d85 s GLN 51 Ca -0.10 -2.39 -0.29 0.00 -2.50 0.00 0.00 55.36 50.08 2d85 s GLN 51 Cb -0.01 -3.78 -0.04 0.00 -1.64 0.00 0.00 33.01 27.55 2d85 s GLN 51 CO 0.36 -1.17 1.56 -1.25 0.50 0.00 0.00 175.29 175.29 2d85 s PRO 52 N 0.20 4.05 0.00 1.67 0.04 -0.83 -3.24 135.00 136.90 2d85 s PRO 52 Ca 0.15 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2d85 s PRO 52 Cb -0.20 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2d85 s PRO 52 CO -0.04 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.43 2d85 n GLY 53 N 4.21 1.08 0.34 0.56 0.00 -1.26 -5.00 105.19 105.12 2d85 n GLY 53 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2d85 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d85 h SER 54 N 1.80 -0.68 -3.68 1.61 4.64 -1.91 -3.44 113.55 111.88 2d85 h SER 54 Ca 0.00 0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.82 2d85 h SER 54 Cb 0.00 0.18 0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2d85 h SER 54 CO 0.00 -0.28 0.56 -0.63 -0.87 0.00 0.00 176.83 175.60 2d85 s ILE 55 N -4.22 3.30 -0.53 0.95 -1.09 -1.26 -5.01 121.20 113.35 2d85 s ILE 55 Ca -0.12 1.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.55 2d85 s ILE 55 Cb 0.01 -3.78 0.15 0.00 -1.58 0.00 0.00 42.46 37.27 2d85 s ILE 55 CO 0.37 0.25 0.35 0.21 -1.23 0.00 0.00 174.94 174.89 2d85 s ASN 56 N -0.37 3.60 0.33 3.58 2.47 -1.26 -4.97 114.94 118.33 2d85 s ASN 56 Ca 0.49 -3.16 0.13 0.00 0.42 0.00 0.00 52.86 50.74 2d85 s ASN 56 Cb -0.34 -1.15 1.05 0.00 -1.45 0.00 0.00 41.25 39.36 2d85 s ASN 56 CO 0.42 -0.18 1.64 1.88 -3.72 0.00 0.00 177.10 177.14 2d85 h TYR 57 N 6.03 0.75 -0.98 0.43 0.05 -1.95 0.45 116.97 121.76 2d85 h TYR 57 Ca 0.10 0.04 0.30 0.00 0.05 0.00 0.00 58.73 59.22 2d85 h TYR 57 Cb 0.86 -0.17 -0.15 0.00 1.01 0.00 0.00 36.73 38.29 2d85 h TYR 57 CO 0.50 -0.25 0.49 0.22 -1.05 0.00 0.00 178.16 178.08 2d85 h ASP 58 N 0.23 0.40 0.44 3.88 1.82 -1.99 0.20 116.42 121.39 2d85 h ASP 58 Ca 0.71 0.19 -0.31 0.00 -0.39 0.00 0.00 57.03 57.24 2d85 h ASP 58 Cb 1.65 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.83 2d85 h ASP 58 CO -0.66 -0.14 -1.50 -0.07 -1.61 0.00 0.00 179.24 175.26 2d85 h LEU 59 N 0.30 0.47-10.25 2.28 3.38 -0.55 -3.46 115.31 107.47 2d85 h LEU 59 Ca 0.69 -0.60 -0.52 0.00 0.09 0.00 0.00 57.88 57.54 2d85 h LEU 59 Cb 1.55 -0.15 0.15 0.00 0.09 0.00 0.00 40.66 42.29 2d85 h LEU 59 CO -0.62 1.49 0.32 -0.76 0.09 0.00 0.00 178.44 178.96 2d85 s LEU 60 N -7.10 3.11 -0.11 1.67 1.43 0.71 -5.01 118.68 113.37 2d85 s LEU 60 Ca -0.09 2.08 -0.08 0.00 -1.03 0.00 0.00 54.13 55.02 2d85 s LEU 60 Cb 0.06 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 2d85 s LEU 60 CO 0.87 -2.33 -0.15 0.29 0.23 0.00 0.00 176.35 175.26 2d85 n LYS 61 N -3.35 0.36 -3.04 1.70 4.01 -1.26 -4.90 118.16 111.67 2d85 n LYS 61 Ca 0.11 0.44 -0.19 0.00 -0.51 0.00 0.00 58.31 58.16 2d85 n LYS 61 Cb 0.52 -1.47 -0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2d85 n LYS 61 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2d85 n THR 62 N -4.10 -0.86 -3.63 -0.18 -2.24 -1.26 -4.93 114.28 97.07 2d85 n THR 62 Ca -0.06 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2d85 n THR 62 Cb 0.23 -1.77 -0.14 0.00 -2.10 0.00 0.00 70.33 66.55 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2d85 s GLU 63 N -5.67 0.10 -0.98 -0.78 -1.05 -1.26 -4.89 118.70 104.18 2d85 s GLU 63 Ca 0.26 0.55 -0.12 0.00 -0.15 0.00 0.00 54.97 55.51 2d85 s GLU 63 Cb -0.14 -0.38 0.12 0.00 -0.44 0.00 0.00 34.13 33.30 2d85 s GLU 63 CO 0.32 -0.37 0.31 0.27 0.95 0.00 0.00 175.26 176.74 2d85 n ASN 64 N 5.33 -1.19 -4.30 0.83 0.23 -1.26 -4.75 115.26 110.16 2d85 n ASN 64 Ca -0.05 -0.52 -0.38 0.00 -0.53 0.00 0.00 54.58 53.09 2d85 n ASN 64 Cb 0.50 -1.07 0.02 0.00 -2.08 0.00 0.00 39.78 37.15 2d85 n ASN 64 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2d85 n LEU 65 N -2.78 -2.48 -4.32 -4.53 4.77 -1.26 -5.00 117.00 101.40 2d85 n LEU 65 Ca 0.06 0.63 -0.17 0.00 -0.03 0.00 0.00 56.01 56.50 2d85 n LEU 65 Cb 0.35 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 2d85 n LEU 65 CO 0.50 -4.36 -0.38 0.54 -1.33 0.00 0.00 177.39 172.36 2d85 s ASN 66 N -1.08 2.10 0.37 -1.43 4.22 -1.26 -4.82 114.94 113.04 2d85 s ASN 66 Ca 0.59 -1.11 0.31 0.00 -2.14 0.00 0.00 52.86 50.51 2d85 s ASN 66 Cb -0.45 -0.05 1.19 0.00 1.28 0.00 0.00 41.25 43.21 2d85 s ASN 66 CO 0.64 -0.36 1.14 0.47 -2.04 0.00 0.00 177.10 176.95 2d85 n ASP 67 N -0.36 0.07 0.02 3.54 8.00 -1.26 0.36 116.55 126.92 2d85 n ASP 67 Ca -0.07 0.85 -0.02 0.00 0.71 0.00 0.00 54.79 56.26 2d85 n ASP 67 Cb 0.62 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 2d85 n ASP 67 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2d85 h ASP 68 N 0.00 -0.09 0.21 -2.24 3.32 -2.01 -3.25 116.42 112.37 2d85 h ASP 68 Ca 0.67 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.73 2d85 h ASP 68 Cb 2.45 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 42.00 2d85 h ASP 68 CO -0.16 0.12 -0.24 -0.33 -1.72 0.00 0.00 179.24 176.91 2d85 h GLU 69 N -0.47 -0.48 -0.93 3.56 4.39 -0.96 -2.47 114.58 117.21 2d85 h GLU 69 Ca -0.01 0.03 0.27 0.00 0.34 0.00 0.00 59.36 59.99 2d85 h GLU 69 Cb 0.08 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 28.67 2d85 h GLU 69 CO 0.02 -0.32 0.07 1.63 -1.16 0.00 0.00 179.01 179.25 2d85 n LYS 70 N -5.37 -0.07 0.30 2.33 5.02 0.16 -0.63 118.16 119.90 2d85 n LYS 70 Ca -0.08 1.39 -0.15 0.00 -2.02 0.00 0.00 58.31 57.45 2d85 n LYS 70 Cb 0.28 -2.24 -0.07 0.00 -0.02 0.00 0.00 35.03 32.98 2d85 n LYS 70 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2d85 h LEU 71 N 0.00 -0.98 -0.97 -0.35 5.85 -1.47 -0.99 115.31 116.40 2d85 h LEU 71 Ca 0.59 0.06 0.31 0.00 0.84 0.00 0.00 57.88 59.69 2d85 h LEU 71 Cb 1.27 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 42.45 2d85 h LEU 71 CO -0.86 -0.56 0.44 0.78 -0.34 0.00 0.00 178.44 177.91 2d85 h ASN 72 N -0.87 0.29 -0.24 1.25 2.35 -0.80 0.40 115.58 117.96 2d85 h ASN 72 Ca -0.07 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2d85 h ASN 72 Cb 0.72 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2d85 h ASN 72 CO 0.04 -0.21 0.06 0.78 -1.65 0.00 0.00 177.43 176.46 2d85 h ASN 73 N 0.22 0.36 -0.56 5.81 4.21 -0.92 -2.27 115.58 122.43 2d85 h ASN 73 Ca 0.70 -0.22 0.01 0.00 1.21 0.00 0.00 56.30 57.99 2d85 h ASN 73 Cb 1.60 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 38.67 2d85 h ASN 73 CO -0.67 0.49 0.37 0.00 -1.29 0.00 0.00 177.43 176.33 2d85 h ALA 74 N 0.89 0.71 -0.40 -0.83 0.00 0.11 -0.44 119.26 119.29 2d85 h ALA 74 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2d85 h ALA 74 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2d85 h ALA 74 CO -0.00 0.15 0.25 0.87 0.00 0.00 0.00 179.25 180.52 2d85 h LYS 75 N 0.76 0.53 -0.05 0.00 1.57 -0.90 -2.00 116.57 116.48 2d85 h LYS 75 Ca 0.21 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.73 2d85 h LYS 75 Cb -0.08 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.12 2d85 h LYS 75 CO -0.04 0.37 -0.84 -0.92 -0.57 0.00 0.00 179.45 177.45 2d85 h TYR 76 N 0.55 0.94 0.63 -1.35 3.20 -0.78 -2.24 116.97 117.93 2d85 h TYR 76 Ca 0.15 -0.48 -0.02 0.00 3.14 0.00 0.00 58.73 61.51 2d85 h TYR 76 Cb -0.04 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2d85 h TYR 76 CO 0.00 1.30 -0.40 0.00 -1.64 0.00 0.00 178.16 177.42 2d85 h ALA 77 N 0.43 -1.01 -0.58 1.82 0.00 -0.60 0.23 119.26 119.55 2d85 h ALA 77 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2d85 h ALA 77 Cb 1.49 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 2d85 h ALA 77 CO 0.17 -1.08 0.38 0.82 0.00 0.00 0.00 179.25 179.54 2d85 h ILE 78 N -0.98 1.15 -0.02 0.00 2.04 -1.50 -2.87 117.51 115.34 2d85 h ILE 78 Ca -0.08 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2d85 h ILE 78 Cb 0.79 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2d85 h ILE 78 CO 0.07 0.15 -0.02 0.28 0.00 0.00 0.00 178.15 178.63 2d85 h SER 79 N 0.79 -0.06 -0.74 1.72 0.02 -1.25 -2.73 113.55 111.29 2d85 h SER 79 Ca 0.21 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.34 2d85 h SER 79 Cb -0.09 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 62.36 2d85 h SER 79 CO -0.05 -0.03 -0.01 0.24 -1.14 0.00 0.00 176.83 175.84 2d85 h MET 80 N -0.03 0.09 -0.88 3.45 2.86 -0.33 0.07 114.93 120.17 2d85 h MET 80 Ca 0.02 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 2d85 h MET 80 Cb 0.05 -0.02 -0.16 0.00 0.06 0.00 0.00 31.60 31.53 2d85 h MET 80 CO -0.04 0.06 -0.25 0.00 1.06 0.00 0.00 176.91 177.74 2d85 h ALA 81 N 1.70 0.50 -0.25 6.32 0.00 -1.31 0.23 119.26 126.45 2d85 h ALA 81 Ca 0.40 0.33 -0.17 0.00 0.00 0.00 0.00 54.91 55.47 2d85 h ALA 81 Cb 0.69 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2d85 h ALA 81 CO -0.66 -0.44 -0.50 -0.09 0.00 0.00 0.00 179.25 177.57 2d85 h ARG 82 N -0.01 0.78 -0.17 0.00 1.12 -0.24 0.76 114.38 116.61 2d85 h ARG 82 Ca 0.40 -0.50 0.05 0.00 -1.11 0.00 0.00 59.98 58.82 2d85 h ARG 82 Cb 0.63 0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 30.59 2d85 h ARG 82 CO -0.90 1.13 -0.31 -0.22 -3.11 0.00 0.00 179.97 176.56 2d85 h LYS 83 N 0.52 -0.34 0.00 0.20 1.63 0.56 -1.15 116.57 117.98 2d85 h LYS 83 Ca 0.01 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2d85 h LYS 83 Cb 1.11 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2d85 h LYS 83 CO 0.11 -0.23 -0.35 -0.84 -3.45 0.00 0.00 179.45 174.69 2d85 h ILE 84 N -0.36 0.74 0.00 2.00 3.07 -0.99 -3.47 117.51 118.50 2d85 h ILE 84 Ca 0.11 -1.57 0.00 0.00 1.55 0.00 0.00 64.86 64.94 2d85 h ILE 84 Cb 0.53 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2d85 h ILE 84 CO -0.37 0.34 0.00 0.61 -1.05 0.00 0.00 178.15 177.68 2d85 n GLY 85 N 0.52 0.91 3.22 0.16 0.00 -0.38 -5.10 105.19 104.52 2d85 n GLY 85 Ca 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.58 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 s ALA 86 N 0.00 -3.27 -0.06 4.61 0.00 0.25 -4.86 121.76 118.44 2d85 s ALA 86 Ca 0.00 1.66 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 2d85 s ALA 86 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2d85 s ALA 86 CO 0.00 -1.21 0.88 1.03 0.00 0.00 0.00 175.76 176.46 2d85 s ARG 87 N 2.60 4.47 0.02 0.00 3.00 -1.26 -1.81 118.95 125.96 2d85 s ARG 87 Ca -0.02 1.21 0.04 0.00 0.00 0.00 0.00 55.73 56.96 2d85 s ARG 87 Cb -0.07 -3.48 -0.02 0.00 0.00 0.00 0.00 34.95 31.39 2d85 s ARG 87 CO -0.14 -0.09 -0.13 0.08 0.00 0.00 0.00 175.30 175.02 2d85 s VAL 88 N 1.24 1.04 -0.58 3.52 1.01 -1.26 -4.82 120.40 120.55 2d85 s VAL 88 Ca 0.46 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2d85 s VAL 88 Cb -0.19 -0.92 0.39 0.00 0.00 0.00 0.00 36.38 35.66 2d85 s VAL 88 CO 0.22 0.11 1.35 -1.22 0.00 0.00 0.00 175.10 175.57 2d85 n TYR 89 N 2.27 3.34 -4.48 5.22 4.02 -1.26 -5.02 117.16 121.25 2d85 n TYR 89 Ca -0.16 -2.97 -0.28 0.00 -0.01 0.00 0.00 57.90 54.48 2d85 n TYR 89 Cb 0.55 -0.44 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d85 n ALA 90 N -0.46 0.47 -3.14 -0.72 0.00 -1.26 -4.94 120.51 110.45 2d85 n ALA 90 Ca 0.42 -2.01 -0.19 0.00 0.00 0.00 0.00 53.44 51.66 2d85 n ALA 90 Cb 0.51 1.04 -0.15 0.00 0.00 0.00 0.00 19.45 20.85 2d85 n ALA 90 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2d85 s LEU 91 N 0.00 1.70 0.44 0.00 2.96 -1.26 -5.03 118.68 117.50 2d85 s LEU 91 Ca 0.06 -0.15 0.23 0.00 -0.22 0.00 0.00 54.13 54.06 2d85 s LEU 91 Cb -0.01 -0.46 1.00 0.00 0.50 0.00 0.00 46.19 47.23 2d85 s LEU 91 CO 0.04 0.03 1.87 1.55 -1.32 0.00 0.00 176.35 178.52 2d85 h PRO 92 N 6.53 0.00 0.00 0.98 0.13 -1.95 -2.29 132.00 135.39 2d85 h PRO 92 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2d85 h PRO 92 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2d85 h PRO 92 CO 0.49 0.24 -0.35 0.93 -0.23 0.00 0.00 178.00 179.08 2d85 h GLU 93 N 0.00 0.00 0.06 0.86 5.08 -1.95 -3.02 114.58 115.61 2d85 h GLU 93 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2d85 h GLU 93 Cb 0.67 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2d85 h GLU 93 CO 0.03 0.35 -1.90 -0.40 -1.00 0.00 0.00 179.01 176.09 2d85 n ASP 94 N -3.62 1.52 -0.18 1.42 5.68 -1.06 -4.24 116.55 116.09 2d85 n ASP 94 Ca -0.01 0.28 -0.03 0.00 -0.50 0.00 0.00 54.79 54.54 2d85 n ASP 94 Cb 0.46 -0.45 0.07 0.00 -1.14 0.00 0.00 41.12 40.06 2d85 n ASP 94 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2d85 h LEU 95 N 0.04 0.27 -1.49 -2.12 5.85 -1.37 -0.97 115.31 115.51 2d85 h LEU 95 Ca -0.37 0.05 0.26 0.00 0.84 0.00 0.00 57.88 58.66 2d85 h LEU 95 Cb 2.03 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.99 2d85 h LEU 95 CO 0.08 0.18 0.67 0.58 -0.34 0.00 0.00 178.44 179.61 2d85 h VAL 96 N 0.43 0.55 -0.52 1.05 2.07 -1.70 0.79 116.25 118.92 2d85 h VAL 96 Ca 0.25 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 67.48 2d85 h VAL 96 Cb 0.24 0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 2d85 h VAL 96 CO -0.23 0.06 0.22 -0.62 0.02 0.00 0.00 177.57 177.03 2d85 n GLU 97 N -4.54 2.67 -4.19 1.57 1.02 -0.40 -4.74 120.64 112.04 2d85 n GLU 97 Ca 0.23 -2.02 -0.35 0.00 -0.02 0.00 0.00 57.16 55.00 2d85 n GLU 97 Cb 0.87 -1.89 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 2d85 n GLU 97 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2d85 n VAL 98 N -0.10 -1.86 -3.11 2.62 0.31 0.28 -4.87 118.33 111.59 2d85 n VAL 98 Ca 0.29 -0.54 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 2d85 n VAL 98 Cb 1.08 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 2d85 n VAL 98 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2d85 s ASN 99 N -4.11 6.39 0.00 4.52 0.01 -1.03 -4.91 114.94 115.80 2d85 s ASN 99 Ca 0.16 -0.03 0.15 0.00 -0.71 0.00 0.00 52.86 52.43 2d85 s ASN 99 Cb -0.08 -2.32 0.91 0.00 0.41 0.00 0.00 41.25 40.16 2d85 s ASN 99 CO 0.98 -0.66 1.32 -0.81 -1.51 0.00 0.00 177.10 176.42 2d85 n PRO 100 N 6.13 0.49 -0.01 -0.60 -0.04 -1.26 -2.83 135.00 136.88 2d85 n PRO 100 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 2d85 n PRO 100 Cb 0.48 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2d85 n PRO 100 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2d85 h LYS 101 N 0.00 0.61 0.00 0.54 1.79 -1.97 -3.25 116.57 114.30 2d85 h LYS 101 Ca 0.00 -0.37 -0.31 0.00 -2.18 0.00 0.00 60.65 57.79 2d85 h LYS 101 Cb 0.00 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.63 2d85 h LYS 101 CO 0.00 0.97 -2.18 -1.33 -1.08 0.00 0.00 179.45 175.84 2d85 n MET 102 N -3.98 0.62 0.27 3.15 2.81 -1.15 -4.40 117.12 114.44 2d85 n MET 102 Ca -0.03 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 2d85 n MET 102 Cb 0.59 -1.42 0.59 0.00 -0.71 0.00 0.00 33.22 32.27 2d85 n MET 102 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2d85 h VAL 103 N 0.00 0.05 -0.61 2.03 2.07 -1.66 0.18 116.25 118.31 2d85 h VAL 103 Ca -0.46 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.17 2d85 h VAL 103 Cb 1.75 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2d85 h VAL 103 CO -0.06 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.94 2d85 h MET 104 N 0.00 0.36 0.02 1.57 -0.00 -1.76 -2.60 114.93 112.53 2d85 h MET 104 Ca 0.06 -0.02 -0.37 0.00 -0.00 0.00 0.00 59.70 59.37 2d85 h MET 104 Cb 1.18 -0.08 -0.06 0.00 -0.00 0.00 0.00 31.60 32.63 2d85 h MET 104 CO -0.00 0.24 -2.28 -2.37 -0.00 0.00 0.00 176.91 172.50 2d85 n THR 105 N -4.47 1.52 -0.34 -0.10 5.66 0.62 -3.22 114.28 113.94 2d85 n THR 105 Ca 0.10 -0.71 0.21 0.00 -3.05 0.00 0.00 64.05 60.60 2d85 n THR 105 Cb 0.41 -1.10 0.44 0.00 -1.55 0.00 0.00 70.33 68.53 2d85 n THR 105 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2d85 h VAL 106 N 0.01 0.48 0.00 1.08 3.04 -1.27 -1.90 116.25 117.69 2d85 h VAL 106 Ca -0.51 -0.16 -0.28 0.00 -1.01 0.00 0.00 66.70 64.74 2d85 h VAL 106 Cb 2.05 -0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 31.25 2d85 h VAL 106 CO -0.00 0.09 -1.53 0.49 -1.01 0.00 0.00 177.57 175.60 2d85 n PHE 107 N -4.84 0.82 -0.33 3.17 3.72 -1.03 -4.25 117.46 114.71 2d85 n PHE 107 Ca 0.28 0.35 -0.03 0.00 -0.05 0.00 0.00 57.45 58.00 2d85 n PHE 107 Cb 0.85 -1.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.31 2d85 n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d85 n ALA 108 N -3.58 -0.20 -0.30 4.37 0.00 -1.00 0.22 120.51 120.03 2d85 n ALA 108 Ca -0.37 0.81 0.15 0.00 0.00 0.00 0.00 53.44 54.04 2d85 n ALA 108 Cb 0.73 -0.32 0.41 0.00 0.00 0.00 0.00 19.45 20.27 2d85 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 h LEU 110 N 0.61 0.00 -0.12 0.00 3.38 0.24 -3.03 115.31 116.39 2d85 h LEU 110 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2d85 h LEU 110 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2d85 h LEU 110 CO -0.26 0.52 -0.26 0.23 0.09 0.00 0.00 178.44 178.76 2d85 n MET 111 N -3.36 0.28 0.22 1.13 2.81 0.10 -3.98 117.12 114.33 2d85 n MET 111 Ca 0.01 -0.12 0.09 0.00 -1.81 0.00 0.00 57.70 55.87 2d85 n MET 111 Cb 0.67 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 32.17 2d85 n MET 111 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2d85 h GLY 112 N 4.98 0.00 1.99 3.03 0.00 -0.65 0.44 103.07 112.87 2d85 h GLY 112 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2d85 h GLY 112 CO 0.00 0.00 -0.73 0.07 0.00 0.00 0.00 176.54 175.88 2d85 h LYS 113 N 0.00 0.01 -0.36 4.80 2.10 -1.82 -3.19 116.57 118.10 2d85 h LYS 113 Ca 0.00 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 2d85 h LYS 113 Cb 0.69 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.01 2d85 h LYS 113 CO 0.00 0.73 -0.19 0.78 -2.00 0.00 0.00 179.45 178.78 2d85 h GLY 114 N 2.18 0.74 -1.97 0.07 0.00 -0.41 -3.45 103.07 100.22 2d85 h GLY 114 Ca -0.01 -0.59 -0.53 0.00 0.00 0.00 0.00 47.33 46.20 2d85 h GLY 114 CO 0.10 0.54 -0.61 1.03 0.00 0.00 0.00 176.54 177.60 2d85 n MET 115 N -4.14 -0.27 -0.07 4.80 2.81 -1.21 -4.92 117.12 114.13 2d85 n MET 115 Ca 0.00 -0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 2d85 n MET 115 Cb 0.40 -1.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 2d85 n MET 115 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2d85 h LYS 116 N -1.52 0.44 -7.18 0.03 1.57 -1.89 -3.44 116.57 104.58 2d85 h LYS 116 Ca -0.43 -0.22 -0.49 0.00 -1.87 0.00 0.00 60.65 57.63 2d85 h LYS 116 Cb 1.28 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.66 2d85 h LYS 116 CO 0.34 0.78 0.38 1.03 -0.57 0.00 0.00 179.45 181.41 2d85 s ARG 117 N -4.41 3.29 -0.15 3.15 0.52 -1.26 -5.07 118.95 115.02 2d85 s ARG 117 Ca -0.14 1.26 -0.10 0.00 -0.52 0.00 0.00 55.73 56.23 2d85 s ARG 117 Cb 0.06 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.56 2d85 s ARG 117 CO 0.77 -0.84 0.38 0.54 0.02 0.00 0.00 175.30 176.17 2d85 s VAL 118 N -2.37 -0.02 -0.71 3.52 0.11 -1.26 -4.91 120.40 114.75 2d85 s VAL 118 Ca 0.65 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 2d85 s VAL 118 Cb -0.17 -0.56 0.18 0.00 -1.53 0.00 0.00 36.38 34.30 2d85 s VAL 118 CO 0.36 0.03 0.53 -0.44 -3.33 0.00 0.00 175.10 172.25 2d85 s SER 119 N 0.98 5.24 0.00 3.54 0.01 -1.26 -4.94 113.70 117.28 2d85 s SER 119 Ca -0.06 -3.39 0.00 0.00 1.31 0.00 0.00 55.95 53.81 2d85 s SER 119 Cb -0.07 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.37 2d85 s SER 119 CO -0.08 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2d85 n GLY 120 N 2.71 1.42 3.58 3.44 0.00 -1.26 -5.01 105.19 110.06 2d85 n GLY 120 Ca 0.14 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2d85 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d85 s PRO 121 N 0.00 3.08 1.27 1.61 0.04 -1.26 -4.99 135.00 134.75 2d85 s PRO 121 Ca 0.00 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 2d85 s PRO 121 Cb 0.00 -4.25 0.31 0.00 0.04 0.00 0.00 34.50 30.60 2d85 s PRO 121 CO 0.00 -2.17 1.01 -1.12 0.04 0.00 0.00 177.00 174.75 2d85 s SER 122 N 6.58 0.23 -0.29 6.66 0.01 -1.26 -5.01 113.70 120.62 2d85 s SER 122 Ca 0.72 1.02 0.01 0.00 1.31 0.00 0.00 55.95 59.01 2d85 s SER 122 Cb -0.17 -1.51 0.18 0.00 0.21 0.00 0.00 66.02 64.73 2d85 s SER 122 CO 0.28 -4.60 0.55 -0.55 0.41 0.00 0.00 173.24 169.33 2d85 s SER 123 N -3.15 -1.08 0.00 2.44 0.15 -1.26 -5.15 113.70 105.64 2d85 s SER 123 Ca 0.69 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2d85 s SER 123 Cb -0.16 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 2d85 s SER 123 CO 0.59 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.36