#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 h SER 2 N 0.00 0.56 -5.77 1.61 0.87 -2.07 -3.47 113.55 105.27 2d85 h SER 2 Ca 0.00 -0.58 -0.38 0.00 -1.23 0.00 0.00 61.79 59.61 2d85 h SER 2 Cb 0.00 -0.16 0.15 0.00 -0.44 0.00 0.00 62.40 61.95 2d85 h SER 2 CO 0.00 1.04 -0.71 -1.20 -0.53 0.00 0.00 176.83 175.43 2d85 n SER 3 N -4.34 -4.91 -2.70 6.23 7.64 -1.26 -4.95 113.62 109.33 2d85 n SER 3 Ca -0.07 -0.57 -0.04 0.00 1.01 0.00 0.00 58.87 59.21 2d85 n SER 3 Cb 0.51 -5.06 0.03 0.00 -1.01 0.00 0.00 64.21 58.68 2d85 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d85 n GLY 4 N -1.71 -1.27 3.11 0.23 0.00 -1.26 -4.96 105.19 99.33 2d85 n GLY 4 Ca -0.09 0.95 -0.25 0.00 0.00 0.00 0.00 46.02 46.63 2d85 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d85 s SER 5 N 0.70 1.95 -1.26 1.61 0.01 -1.26 -4.77 113.70 110.68 2d85 s SER 5 Ca 0.26 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 2d85 s SER 5 Cb 0.10 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2d85 s SER 5 CO -0.09 0.15 1.07 -0.24 0.41 0.00 0.00 173.24 174.54 2d85 n SER 6 N 3.09 -4.05 -3.15 2.44 2.88 -1.26 -4.99 113.62 108.58 2d85 n SER 6 Ca -0.17 -0.57 0.04 0.00 -1.33 0.00 0.00 58.87 56.83 2d85 n SER 6 Cb 0.53 -5.03 -0.01 0.00 -0.75 0.00 0.00 64.21 58.96 2d85 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d85 s GLY 7 N -3.86 -1.10 0.02 0.46 0.00 -1.26 -5.01 107.32 96.57 2d85 s GLY 7 Ca 0.27 1.52 0.17 0.00 0.00 0.00 0.00 44.72 46.69 2d85 s GLY 7 CO 0.72 3.56 0.71 1.16 0.00 0.00 0.00 173.10 179.24 2d85 n ASN 8 N 5.42 0.69 0.00 1.64 6.94 -1.26 -3.12 115.26 125.57 2d85 n ASN 8 Ca 0.02 0.30 -0.04 0.00 -0.02 0.00 0.00 54.58 54.84 2d85 n ASN 8 Cb 0.53 0.42 -0.11 0.00 -2.36 0.00 0.00 39.78 38.25 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2d85 n ASP 9 N -2.81 0.84 0.06 0.53 9.92 -1.26 -4.10 116.55 119.72 2d85 n ASP 9 Ca -0.12 0.38 -0.20 0.00 -0.53 0.00 0.00 54.79 54.32 2d85 n ASP 9 Cb 0.85 0.09 -0.14 0.00 -0.64 0.00 0.00 41.12 41.27 2d85 n ASP 9 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2d85 h ASP 10 N 0.00 0.53 0.00 -2.24 3.32 -1.97 -3.22 116.42 112.84 2d85 h ASP 10 Ca -0.23 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 55.89 2d85 h ASP 10 Cb 1.81 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.19 2d85 h ASP 10 CO 0.06 1.41 0.10 0.00 -1.72 0.00 0.00 179.24 179.09 2d85 n ILE 11 N -4.08 0.89 -0.01 0.35 3.06 -1.18 -1.70 119.36 116.68 2d85 n ILE 11 Ca -0.14 0.75 0.20 0.00 -2.50 0.00 0.00 62.75 61.06 2d85 n ILE 11 Cb 0.84 -1.75 0.68 0.00 0.54 0.00 0.00 39.64 39.96 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 0.74 0.00 9.51 2.04 -1.70 -1.17 117.51 126.93 2d85 h ILE 12 Ca 0.00 -0.01 -0.30 0.00 1.00 0.00 0.00 64.86 65.56 2d85 h ILE 12 Cb 0.19 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2d85 h ILE 12 CO 0.00 0.00 -1.61 0.52 0.00 0.00 0.00 178.15 177.06 2d85 n VAL 13 N -4.38 1.54 -0.05 1.67 0.31 -0.69 -4.08 118.33 112.65 2d85 n VAL 13 Ca 0.10 -0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.16 2d85 n VAL 13 Cb 0.61 -2.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.45 2d85 n VAL 13 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2d85 h ASN 14 N -0.99 -1.67 -0.20 4.52 -0.00 -1.57 -2.20 115.58 113.47 2d85 h ASN 14 Ca -0.45 0.21 0.02 0.00 -0.00 0.00 0.00 56.30 56.09 2d85 h ASN 14 Cb 1.40 0.67 -0.03 0.00 -0.00 0.00 0.00 38.32 40.35 2d85 h ASN 14 CO -0.27 -0.45 -0.21 -0.25 -0.00 0.00 0.00 177.43 176.25 2d85 h TRP 15 N -0.51 -0.66 -0.92 0.67 7.01 -1.45 0.28 115.95 120.38 2d85 h TRP 15 Ca 0.06 0.03 0.25 0.00 2.11 0.00 0.00 58.89 61.34 2d85 h TRP 15 Cb 0.65 0.31 -0.17 0.00 -2.10 0.00 0.00 29.16 27.85 2d85 h TRP 15 CO -0.61 -0.18 0.01 0.28 -2.79 0.00 0.00 178.44 175.15 2d85 n VAL 16 N -3.74 -0.39 -0.08 2.65 0.31 -1.05 0.19 118.33 116.22 2d85 n VAL 16 Ca -0.01 2.02 -0.08 0.00 -0.01 0.00 0.00 64.34 66.26 2d85 n VAL 16 Cb 0.12 -2.95 0.07 0.00 -0.91 0.00 0.00 33.84 30.18 2d85 n VAL 16 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2d85 h ASN 17 N 0.00 0.79 0.04 4.52 2.35 -0.42 -2.91 115.58 119.95 2d85 h ASN 17 Ca 0.55 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2d85 h ASN 17 Cb 1.12 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2d85 h ASN 17 CO -0.87 1.02 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.59 2d85 h GLU 18 N 0.66 -0.05 -1.24 0.81 5.08 0.55 -1.66 114.58 118.72 2d85 h GLU 18 Ca 0.08 0.00 0.45 0.00 -1.00 0.00 0.00 59.36 58.89 2d85 h GLU 18 Cb 0.80 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 2d85 h GLU 18 CO 0.07 -0.04 0.78 -2.37 -1.00 0.00 0.00 179.01 176.45 2d85 n THR 19 N -2.21 -0.28 -0.05 1.13 5.66 0.47 0.13 114.28 119.13 2d85 n THR 19 Ca -0.01 1.79 -0.14 0.00 -3.05 0.00 0.00 64.05 62.65 2d85 n THR 19 Cb 0.02 -2.93 -0.08 0.00 -1.55 0.00 0.00 70.33 65.80 2d85 n THR 19 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2d85 h LEU 20 N 0.00 0.39 0.31 1.09 3.38 -1.51 -2.66 115.31 116.31 2d85 h LEU 20 Ca 0.84 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2d85 h LEU 20 Cb 2.60 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 43.24 2d85 h LEU 20 CO -0.52 0.86 -0.17 -0.09 0.09 0.00 0.00 178.44 178.61 2d85 h ARG 21 N -0.06 -0.43 -0.62 1.13 9.65 0.21 0.37 114.38 124.62 2d85 h ARG 21 Ca 0.01 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.04 2d85 h ARG 21 Cb 0.78 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.42 2d85 h ARG 21 CO 0.05 -0.29 0.42 1.05 2.80 0.00 0.00 179.97 184.00 2d85 h GLU 22 N -0.45 0.29 0.00 0.20 -0.00 -1.19 0.35 114.58 113.78 2d85 h GLU 22 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 2d85 h GLU 22 Cb 0.36 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.04 2d85 h GLU 22 CO 0.05 0.19 -0.33 0.00 -0.00 0.00 0.00 179.01 178.92 2d85 n ALA 23 N -2.55 3.10 -2.58 1.06 0.00 -0.88 -4.95 120.51 113.70 2d85 n ALA 23 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 2d85 n ALA 23 Cb 0.48 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.53 -2.43 -3.42 0.00 -0.58 0.12 -5.04 120.64 107.75 2d85 n GLU 24 Ca 0.06 0.30 -0.32 0.00 -0.42 0.00 0.00 57.16 56.77 2d85 n GLU 24 Cb 0.34 -3.69 -0.05 0.00 -0.57 0.00 0.00 31.44 27.47 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 -4.67 3.82 -0.12 3.49 3.01 0.10 -4.98 119.74 120.38 2d85 s LYS 25 Ca 0.04 0.29 0.12 0.00 -1.01 0.00 0.00 55.97 55.41 2d85 s LYS 25 Cb -0.02 -2.70 0.56 0.00 -1.01 0.00 0.00 37.83 34.66 2d85 s LYS 25 CO 0.26 0.35 1.40 0.45 0.51 0.00 0.00 175.35 178.32 2d85 n SER 26 N 0.03 3.97 -4.75 2.83 2.88 -1.26 -4.72 113.62 112.59 2d85 n SER 26 Ca -0.01 -2.47 -0.22 0.00 -1.33 0.00 0.00 58.87 54.84 2d85 n SER 26 Cb 0.52 -0.55 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 2d85 n SER 26 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d85 s SER 27 N -0.69 4.97 -0.21 -3.46 0.15 -1.26 -5.07 113.70 108.13 2d85 s SER 27 Ca 0.38 -0.56 -0.33 0.00 0.70 0.00 0.00 55.95 56.15 2d85 s SER 27 Cb 0.27 -0.98 0.15 0.00 -1.71 0.00 0.00 66.02 63.75 2d85 s SER 27 CO 0.15 -0.16 1.21 -0.94 1.20 0.00 0.00 173.24 174.71 2d85 s SER 28 N -3.82 -0.14 -0.02 5.45 1.04 -1.26 -4.89 113.70 110.05 2d85 s SER 28 Ca 0.35 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.88 2d85 s SER 28 Cb -0.06 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2d85 s SER 28 CO 0.23 -0.21 -0.13 0.27 0.98 0.00 0.00 173.24 174.39 2d85 s ILE 29 N -1.97 1.06 0.00 -1.02 -4.36 -1.26 -4.73 121.20 108.93 2d85 s ILE 29 Ca 0.08 -0.55 -0.14 0.00 -0.26 0.00 0.00 60.65 59.79 2d85 s ILE 29 Cb -0.01 -0.91 -0.34 0.00 1.25 0.00 0.00 42.46 42.46 2d85 s ILE 29 CO -0.05 0.31 0.87 0.28 0.24 0.00 0.00 174.94 176.60 2d85 h SER 30 N 6.04 0.75 -5.26 4.36 0.02 -1.95 -3.48 113.55 114.03 2d85 h SER 30 Ca -0.34 -0.91 0.27 0.00 -0.84 0.00 0.00 61.79 59.97 2d85 h SER 30 Cb 1.17 -0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.33 2d85 h SER 30 CO 0.49 1.73 0.74 -0.44 -1.14 0.00 0.00 176.83 178.21 2d85 s SER 31 N -7.46 -0.12 0.58 3.07 0.01 -1.26 -4.99 113.70 103.53 2d85 s SER 31 Ca -0.12 -0.14 0.37 0.00 1.31 0.00 0.00 55.95 57.38 2d85 s SER 31 Cb 0.05 0.23 1.31 0.00 0.21 0.00 0.00 66.02 67.82 2d85 s SER 31 CO 0.91 -0.42 1.45 -0.26 0.41 0.00 0.00 173.24 175.33 2d85 h PHE 32 N 2.00 0.00 -1.16 2.43 0.04 -2.00 1.33 116.94 119.59 2d85 h PHE 32 Ca -0.24 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.85 2d85 h PHE 32 Cb 1.20 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 39.05 2d85 h PHE 32 CO 0.32 0.00 0.66 1.63 -0.60 0.00 0.00 178.31 180.32 2d85 n LYS 33 N -3.58 2.83 -2.73 1.51 5.02 -1.26 -4.79 118.16 115.16 2d85 n LYS 33 Ca 0.32 -3.47 -0.42 0.00 -2.02 0.00 0.00 58.31 52.72 2d85 n LYS 33 Cb 1.72 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.41 2d85 n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2d85 s ASP 34 N -1.96 7.33 0.28 4.39 2.15 0.46 -4.95 116.67 124.36 2d85 s ASP 34 Ca 0.61 1.61 0.06 0.00 0.43 0.00 0.00 52.55 55.26 2d85 s ASP 34 Cb 0.48 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 40.94 2d85 s ASP 34 CO -0.08 -0.26 1.66 1.55 -0.17 0.00 0.00 175.17 177.86 2d85 h PRO 35 N 6.82 0.24 -0.14 4.34 0.13 -1.94 -2.95 132.00 138.50 2d85 h PRO 35 Ca -0.40 -0.13 0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2d85 h PRO 35 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2d85 h PRO 35 CO 0.76 0.67 0.11 0.87 -0.23 0.00 0.00 178.00 180.17 2d85 h LYS 36 N 0.20 0.00 -0.23 0.86 6.56 -1.92 -0.78 116.57 121.26 2d85 h LYS 36 Ca 0.01 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.67 2d85 h LYS 36 Cb 0.90 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 2d85 h LYS 36 CO 0.07 0.00 0.26 0.82 -2.06 0.00 0.00 179.45 178.54 2d85 h ILE 37 N 0.00 0.44 -0.81 1.86 2.04 -1.85 -0.93 117.51 118.26 2d85 h ILE 37 Ca 0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.07 2d85 h ILE 37 Cb 0.27 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2d85 h ILE 37 CO -0.00 0.00 0.53 0.77 0.00 0.00 0.00 178.15 179.45 2d85 h SER 38 N 0.00 0.49 0.57 1.72 4.64 -1.33 0.42 113.55 120.06 2d85 h SER 38 Ca 0.11 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2d85 h SER 38 Cb 0.62 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2d85 h SER 38 CO -0.00 0.25 -0.25 0.35 -0.87 0.00 0.00 176.83 176.31 2d85 n THR 39 N -4.51 0.00 -1.97 2.95 -2.24 -0.35 -4.60 114.28 103.56 2d85 n THR 39 Ca 0.16 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.77 2d85 n THR 39 Cb 0.51 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.28 -4.40 0.09 3.42 7.64 0.15 -4.79 113.62 114.44 2d85 n SER 40 Ca 0.09 0.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.95 2d85 n SER 40 Cb 0.32 -3.42 -0.08 0.00 -1.01 0.00 0.00 64.21 60.02 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 -0.22 -1.03 -3.43 3.38 -1.78 0.44 115.31 112.66 2d85 h LEU 41 Ca -0.31 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.28 2d85 h LEU 41 Cb 1.13 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2d85 h LEU 41 CO 0.40 0.20 -0.48 1.55 0.09 0.00 0.00 178.44 180.20 2d85 h PRO 42 N -0.69 0.00 0.11 1.13 0.13 -1.84 0.54 132.00 131.37 2d85 h PRO 42 Ca -0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.83 2d85 h PRO 42 Cb 0.49 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.63 2d85 h PRO 42 CO 0.04 0.48 -1.19 0.28 -0.23 0.00 0.00 178.00 177.38 2d85 h VAL 43 N 0.00 1.40 0.00 1.56 2.07 -1.91 -2.26 116.25 117.12 2d85 h VAL 43 Ca -0.00 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 64.78 2d85 h VAL 43 Cb 0.86 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2d85 h VAL 43 CO 0.06 0.81 -0.00 -0.07 0.02 0.00 0.00 177.57 178.39 2d85 h LEU 44 N 0.16 -0.00 -1.40 2.57 3.38 -0.83 -3.21 115.31 115.99 2d85 h LEU 44 Ca -0.15 -0.89 -0.03 0.00 0.09 0.00 0.00 57.88 56.91 2d85 h LEU 44 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 2d85 h LEU 44 CO 0.21 0.90 0.09 0.44 0.09 0.00 0.00 178.44 180.17 2d85 h ASP 45 N -0.92 0.45 -0.55 -0.43 5.19 -1.03 -2.57 116.42 116.56 2d85 h ASP 45 Ca -0.00 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2d85 h ASP 45 Cb 0.89 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 2d85 h ASP 45 CO 0.00 0.45 0.35 0.25 -3.12 0.00 0.00 179.24 177.17 2d85 h LEU 46 N 0.49 0.59 -0.29 1.55 5.85 -1.50 -1.24 115.31 120.76 2d85 h LEU 46 Ca 0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2d85 h LEU 46 Cb 0.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2d85 h LEU 46 CO -0.01 0.42 0.14 0.40 -0.34 0.00 0.00 178.44 179.06 2d85 h ILE 47 N 0.71 1.15 -0.26 4.05 2.04 -1.46 -2.98 117.51 120.76 2d85 h ILE 47 Ca 0.21 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2d85 h ILE 47 Cb -0.04 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2d85 h ILE 47 CO -0.07 0.16 0.07 -0.78 0.00 0.00 0.00 178.15 177.53 2d85 h ASP 48 N 0.34 0.07 -0.94 1.72 3.58 -1.25 -1.19 116.42 118.74 2d85 h ASP 48 Ca 0.10 0.03 0.23 0.00 0.42 0.00 0.00 57.03 57.81 2d85 h ASP 48 Cb 0.12 0.03 -0.12 0.00 1.72 0.00 0.00 39.33 41.08 2d85 h ASP 48 CO -0.01 0.07 0.49 0.00 -2.88 0.00 0.00 179.24 176.91 2d85 h ALA 49 N 1.17 1.59 0.19 -0.78 0.00 -1.10 -1.91 119.26 118.43 2d85 h ALA 49 Ca 0.11 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2d85 h ALA 49 Cb 0.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2d85 h ALA 49 CO -0.13 -0.30 -0.09 0.82 0.00 0.00 0.00 179.25 179.55 2d85 h ILE 50 N 0.49 0.79 -3.42 0.00 2.04 -1.25 -3.42 117.51 112.74 2d85 h ILE 50 Ca 0.59 -1.03 -0.61 0.00 1.00 0.00 0.00 64.86 64.82 2d85 h ILE 50 Cb 1.12 1.30 -0.40 0.00 -0.74 0.00 0.00 36.82 38.11 2d85 h ILE 50 CO -0.50 0.19 -0.75 -1.58 0.00 0.00 0.00 178.15 175.52 2d85 s GLN 51 N -3.60 1.13 0.27 2.37 2.00 -0.51 -5.11 119.66 116.20 2d85 s GLN 51 Ca -0.13 -1.32 -0.29 0.00 -2.00 0.00 0.00 55.36 51.62 2d85 s GLN 51 Cb 0.01 -2.51 -0.10 0.00 0.80 0.00 0.00 33.01 31.21 2d85 s GLN 51 CO 0.48 -0.89 1.26 -1.25 -0.50 0.00 0.00 175.29 174.38 2d85 s PRO 52 N 1.34 4.44 0.00 1.67 0.04 -0.92 -3.62 135.00 137.95 2d85 s PRO 52 Ca 0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2d85 s PRO 52 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2d85 s PRO 52 CO -0.16 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2d85 n GLY 53 N 1.47 1.70 0.31 0.56 0.00 -1.26 -4.95 105.19 103.02 2d85 n GLY 53 Ca 0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 2d85 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d85 h SER 54 N 1.71 -0.62 -3.84 1.61 0.02 -1.93 -3.43 113.55 107.06 2d85 h SER 54 Ca 0.00 -0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.40 2d85 h SER 54 Cb 0.00 0.16 0.03 0.00 0.14 0.00 0.00 62.40 62.73 2d85 h SER 54 CO 0.00 -0.26 0.50 -0.63 -1.14 0.00 0.00 176.83 175.30 2d85 s ILE 55 N -4.72 3.33 -0.47 3.27 -1.09 -1.26 -5.01 121.20 115.25 2d85 s ILE 55 Ca -0.14 1.31 0.04 0.00 -2.23 0.00 0.00 60.65 59.62 2d85 s ILE 55 Cb 0.02 -3.82 0.16 0.00 -1.58 0.00 0.00 42.46 37.24 2d85 s ILE 55 CO 0.47 0.28 0.35 0.21 -1.23 0.00 0.00 174.94 175.03 2d85 s ASN 56 N -0.87 2.49 0.38 3.58 2.47 -1.26 -4.97 114.94 116.76 2d85 s ASN 56 Ca 0.47 -3.10 0.19 0.00 0.42 0.00 0.00 52.86 50.84 2d85 s ASN 56 Cb -0.33 -0.74 1.17 0.00 -1.45 0.00 0.00 41.25 39.91 2d85 s ASN 56 CO 0.42 -0.18 1.68 1.88 -3.72 0.00 0.00 177.10 177.19 2d85 h TYR 57 N 5.83 0.76 -1.17 0.43 0.05 -1.95 0.38 116.97 121.30 2d85 h TYR 57 Ca 0.20 0.03 0.36 0.00 0.05 0.00 0.00 58.73 59.36 2d85 h TYR 57 Cb 0.89 -0.20 -0.12 0.00 1.01 0.00 0.00 36.73 38.30 2d85 h TYR 57 CO 0.39 -0.11 0.75 0.22 -1.05 0.00 0.00 178.16 178.35 2d85 h ASP 58 N 0.29 0.35 0.34 3.88 1.82 -2.01 0.26 116.42 121.36 2d85 h ASP 58 Ca 0.72 0.12 -0.32 0.00 -0.39 0.00 0.00 57.03 57.16 2d85 h ASP 58 Cb 1.85 0.09 -0.04 0.00 0.68 0.00 0.00 39.33 41.90 2d85 h ASP 58 CO -0.47 -0.08 -1.86 0.18 -1.61 0.00 0.00 179.24 175.39 2d85 n LEU 59 N -4.72 1.33 -4.30 2.28 4.77 0.13 -4.95 117.00 111.55 2d85 n LEU 59 Ca 0.32 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 56.33 2d85 n LEU 59 Cb 1.18 -0.17 0.24 0.00 -2.33 0.00 0.00 43.42 42.33 2d85 n LEU 59 CO 0.21 0.54 0.17 0.18 -1.33 0.00 0.00 177.39 177.15 2d85 n LEU 60 N -3.14 -1.53 -0.01 2.23 4.77 0.92 -5.02 117.00 115.22 2d85 n LEU 60 Ca -0.23 -0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 55.32 2d85 n LEU 60 Cb 1.06 -1.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2d85 n LEU 60 CO 0.44 -3.65 -0.18 0.29 -1.33 0.00 0.00 177.39 172.96 2d85 n LYS 61 N -4.22 0.14 -2.19 3.23 4.01 -1.26 -4.96 118.16 112.91 2d85 n LYS 61 Ca 0.05 0.06 -0.05 0.00 -0.51 0.00 0.00 58.31 57.86 2d85 n LYS 61 Cb 0.55 -0.64 -0.01 0.00 -0.51 0.00 0.00 35.03 34.43 2d85 n LYS 61 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2d85 n THR 62 N -3.26 -0.19 -3.74 -0.18 5.66 -1.26 -4.88 114.28 106.43 2d85 n THR 62 Ca -0.04 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.69 2d85 n THR 62 Cb 0.14 -0.68 -0.17 0.00 -1.55 0.00 0.00 70.33 68.08 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2d85 s GLU 63 N -4.46 0.64 -1.73 1.09 4.04 -1.26 -4.85 118.70 112.17 2d85 s GLU 63 Ca 0.00 -0.36 -0.22 0.00 0.04 0.00 0.00 54.97 54.43 2d85 s GLU 63 Cb 0.00 -1.99 0.22 0.00 0.02 0.00 0.00 34.13 32.38 2d85 s GLU 63 CO 0.00 -0.61 0.55 0.27 -1.84 0.00 0.00 175.26 173.64 2d85 n ASN 64 N 5.07 -1.75 -4.15 0.83 0.23 -1.26 -4.82 115.26 109.40 2d85 n ASN 64 Ca -0.09 -1.11 -0.35 0.00 -0.53 0.00 0.00 54.58 52.50 2d85 n ASN 64 Cb 0.47 -1.54 0.09 0.00 -2.08 0.00 0.00 39.78 36.73 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 -3.91 -2.87 -3.91 -4.53 4.77 -1.26 -5.03 117.00 100.26 2d85 n LEU 65 Ca 0.11 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2d85 n LEU 65 Cb 0.45 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2d85 n LEU 65 CO 0.89 -3.39 0.08 0.54 -1.33 0.00 0.00 177.39 174.18 2d85 s ASN 66 N -1.43 -0.06 0.39 -1.43 4.22 -1.26 -4.88 114.94 110.49 2d85 s ASN 66 Ca 0.46 -0.78 0.32 0.00 -2.14 0.00 0.00 52.86 50.73 2d85 s ASN 66 Cb -0.06 0.49 1.26 0.00 1.28 0.00 0.00 41.25 44.22 2d85 s ASN 66 CO 0.69 -0.97 1.21 0.47 -2.04 0.00 0.00 177.10 176.46 2d85 n ASP 67 N -0.27 0.08 0.00 3.54 8.00 -1.26 0.52 116.55 127.16 2d85 n ASP 67 Ca -0.07 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.34 2d85 n ASP 67 Cb 0.63 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2d85 n ASP 67 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2d85 n ASP 68 N -3.85 0.00 -0.01 -2.24 9.92 -1.26 -3.64 116.55 115.48 2d85 n ASP 68 Ca 0.33 0.58 -0.09 0.00 -0.53 0.00 0.00 54.79 55.08 2d85 n ASP 68 Cb 1.40 -0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 41.35 2d85 n ASP 68 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2d85 h GLU 69 N 0.00 -0.25 -0.86 -1.24 4.39 -1.38 -1.86 114.58 113.38 2d85 h GLU 69 Ca 0.00 0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.98 2d85 h GLU 69 Cb 0.00 0.06 -0.16 0.00 -0.10 0.00 0.00 28.75 28.55 2d85 h GLU 69 CO 0.00 -0.17 0.11 1.63 -1.16 0.00 0.00 179.01 179.42 2d85 n LYS 70 N -5.35 -0.07 0.24 2.33 5.02 0.18 0.38 118.16 120.90 2d85 n LYS 70 Ca -0.02 1.27 -0.16 0.00 -2.02 0.00 0.00 58.31 57.38 2d85 n LYS 70 Cb 0.27 -2.07 -0.08 0.00 -0.02 0.00 0.00 35.03 33.13 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 -0.85 -0.92 -0.35 5.85 -1.40 -1.18 115.31 116.47 2d85 h LEU 71 Ca 0.56 0.07 0.23 0.00 0.84 0.00 0.00 57.88 59.58 2d85 h LEU 71 Cb 1.25 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 42.43 2d85 h LEU 71 CO -0.78 -0.47 0.44 0.78 -0.34 0.00 0.00 178.44 178.06 2d85 h ASN 72 N -0.72 0.41 -0.64 1.25 2.35 -0.07 0.26 115.58 118.42 2d85 h ASN 72 Ca -0.03 0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2d85 h ASN 72 Cb 0.63 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 2d85 h ASN 72 CO -0.02 0.02 0.08 0.78 -1.65 0.00 0.00 177.43 176.64 2d85 h ASN 73 N 0.44 1.03 -0.66 5.81 4.21 -0.88 -2.26 115.58 123.26 2d85 h ASN 73 Ca 0.58 -0.27 -0.06 0.00 1.21 0.00 0.00 56.30 57.75 2d85 h ASN 73 Cb 1.10 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.99 2d85 h ASN 73 CO -0.52 1.04 0.18 0.00 -1.29 0.00 0.00 177.43 176.85 2d85 h ALA 74 N 1.02 0.87 -0.60 -0.83 0.00 0.64 -2.39 119.26 117.97 2d85 h ALA 74 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2d85 h ALA 74 Cb 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2d85 h ALA 74 CO 0.02 0.57 0.25 0.87 0.00 0.00 0.00 179.25 180.96 2d85 h LYS 75 N 0.98 0.89 -0.53 0.00 1.57 -0.86 -2.69 116.57 115.92 2d85 h LYS 75 Ca 0.21 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2d85 h LYS 75 Cb 0.34 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2d85 h LYS 75 CO -0.00 0.75 0.33 -0.92 -0.57 0.00 0.00 179.45 179.04 2d85 h TYR 76 N 0.82 0.69 0.16 -1.35 3.20 -1.22 0.45 116.97 119.73 2d85 h TYR 76 Ca 0.20 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2d85 h TYR 76 Cb 0.19 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2d85 h TYR 76 CO 0.01 0.46 -0.14 0.00 -1.64 0.00 0.00 178.16 176.84 2d85 h ALA 77 N 1.17 -0.90 -1.00 1.82 0.00 -1.22 0.34 119.26 119.47 2d85 h ALA 77 Ca 0.19 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2d85 h ALA 77 Cb -0.04 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2d85 h ALA 77 CO -0.04 -0.90 0.62 0.82 0.00 0.00 0.00 179.25 179.76 2d85 h ILE 78 N -0.30 0.86 0.21 0.00 2.04 -1.50 -2.12 117.51 116.70 2d85 h ILE 78 Ca -0.02 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2d85 h ILE 78 Cb 0.25 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2d85 h ILE 78 CO -0.01 0.17 -0.24 -1.28 0.00 0.00 0.00 178.15 176.80 2d85 h SER 79 N 0.93 -0.64 -0.65 1.72 0.87 -0.67 -2.61 113.55 112.50 2d85 h SER 79 Ca 0.52 0.06 0.12 0.00 -1.23 0.00 0.00 61.79 61.27 2d85 h SER 79 Cb 0.60 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 62.70 2d85 h SER 79 CO -0.30 -0.34 0.17 0.24 -0.53 0.00 0.00 176.83 176.07 2d85 h MET 80 N -0.49 0.29 -0.89 2.24 2.86 -0.27 -1.24 114.93 117.43 2d85 h MET 80 Ca 0.00 -0.02 0.30 0.00 -2.06 0.00 0.00 59.70 57.92 2d85 h MET 80 Cb 0.47 -0.07 -0.16 0.00 0.06 0.00 0.00 31.60 31.90 2d85 h MET 80 CO -0.07 0.19 0.20 0.00 1.06 0.00 0.00 176.91 178.29 2d85 n ALA 81 N -2.59 0.63 0.01 6.32 0.00 -0.98 0.52 120.51 124.42 2d85 n ALA 81 Ca 0.11 0.94 -0.18 0.00 0.00 0.00 0.00 53.44 54.31 2d85 n ALA 81 Cb 0.36 -0.78 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 2d85 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 h ARG 82 N 0.00 0.31 -0.20 0.00 3.08 -1.10 0.42 114.38 116.90 2d85 h ARG 82 Ca 0.63 -0.39 0.05 0.00 0.07 0.00 0.00 59.98 60.33 2d85 h ARG 82 Cb 1.46 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.56 2d85 h ARG 82 CO -0.78 1.11 -0.37 0.87 -1.07 0.00 0.00 179.97 179.72 2d85 h LYS 83 N -0.30 -0.39 0.00 0.04 6.56 0.42 0.12 116.57 123.02 2d85 h LYS 83 Ca -0.08 0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2d85 h LYS 83 Cb 1.34 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 33.09 2d85 h LYS 83 CO 0.11 -0.26 -0.06 -0.84 -2.06 0.00 0.00 179.45 176.34 2d85 h ILE 84 N -0.41 0.21 0.00 1.86 3.07 -1.05 -3.47 117.51 117.73 2d85 h ILE 84 Ca 0.10 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 66.03 2d85 h ILE 84 Cb 0.58 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2d85 h ILE 84 CO -0.42 0.06 0.00 0.61 -1.05 0.00 0.00 178.15 177.35 2d85 n GLY 85 N -0.37 0.81 3.39 0.16 0.00 0.43 -5.10 105.19 104.52 2d85 n GLY 85 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.73 -0.52 4.61 0.00 0.15 -4.91 121.76 118.35 2d85 s ALA 86 Ca 0.00 2.04 -0.20 0.00 0.00 0.00 0.00 51.96 53.80 2d85 s ALA 86 Cb 0.00 -2.06 0.06 0.00 0.00 0.00 0.00 23.12 21.12 2d85 s ALA 86 CO 0.00 -0.93 0.68 1.03 0.00 0.00 0.00 175.76 176.54 2d85 s ARG 87 N 2.38 3.14 -0.05 0.00 1.81 -1.26 -2.89 118.95 122.09 2d85 s ARG 87 Ca -0.03 -0.84 0.04 0.00 -1.72 0.00 0.00 55.73 53.19 2d85 s ARG 87 Cb -0.06 -4.11 -0.02 0.00 -0.45 0.00 0.00 34.95 30.31 2d85 s ARG 87 CO -0.17 -1.30 -0.17 0.54 -0.68 0.00 0.00 175.30 173.52 2d85 s VAL 88 N 2.84 2.84 -1.09 3.52 0.11 -1.26 -4.96 120.40 122.40 2d85 s VAL 88 Ca 0.17 -0.81 -0.10 0.00 -2.93 0.00 0.00 61.98 58.31 2d85 s VAL 88 Cb -0.19 -2.09 0.26 0.00 -1.53 0.00 0.00 36.38 32.84 2d85 s VAL 88 CO 0.12 0.59 1.09 -0.31 -3.33 0.00 0.00 175.10 173.26 2d85 s TYR 89 N -0.66 4.17 0.18 1.54 2.02 -1.26 -4.97 117.35 118.36 2d85 s TYR 89 Ca 0.10 -2.57 0.00 0.00 -0.37 0.00 0.00 57.07 54.23 2d85 s TYR 89 Cb -0.11 -3.87 0.00 0.00 -0.40 0.00 0.00 41.96 37.58 2d85 s TYR 89 CO 0.00 -0.99 0.24 0.00 -1.57 0.00 0.00 175.55 173.23 2d85 n ALA 90 N 3.04 -0.07 -3.28 3.71 0.00 -1.26 -4.82 120.51 117.84 2d85 n ALA 90 Ca 0.23 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 2d85 n ALA 90 Cb 0.40 0.71 -0.11 0.00 0.00 0.00 0.00 19.45 20.45 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 0.79 0.00 0.00 2.96 -1.26 -5.02 118.68 116.15 2d85 s LEU 91 Ca 0.16 0.58 0.14 0.00 -0.22 0.00 0.00 54.13 54.80 2d85 s LEU 91 Cb -0.00 0.96 0.63 0.00 0.50 0.00 0.00 46.19 48.27 2d85 s LEU 91 CO 0.12 -0.11 1.45 -0.81 -1.32 0.00 0.00 176.35 175.67 2d85 n PRO 92 N 3.19 0.04 0.03 0.98 -0.04 -1.26 -2.30 135.00 135.63 2d85 n PRO 92 Ca -0.15 0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2d85 n PRO 92 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2d85 n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2d85 h GLU 93 N 0.00 -0.12 0.00 0.54 5.08 -1.93 -3.09 114.58 115.06 2d85 h GLU 93 Ca 0.00 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2d85 h GLU 93 Cb 0.23 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2d85 h GLU 93 CO 0.00 0.34 -0.98 -0.44 -1.00 0.00 0.00 179.01 176.93 2d85 h ASP 94 N -0.64 0.00 -0.44 1.42 3.32 -1.98 -3.29 116.42 114.81 2d85 h ASP 94 Ca -0.01 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.10 2d85 h ASP 94 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2d85 h ASP 94 CO 0.02 0.81 0.30 0.25 -1.72 0.00 0.00 179.24 178.90 2d85 h LEU 95 N 0.00 0.31 -1.50 1.55 5.85 -1.54 -1.04 115.31 118.94 2d85 h LEU 95 Ca -0.06 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2d85 h LEU 95 Cb 1.67 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 2d85 h LEU 95 CO 0.10 0.21 0.47 0.58 -0.34 0.00 0.00 178.44 179.45 2d85 h VAL 96 N 0.36 0.91 -0.68 1.05 2.07 -1.60 0.99 116.25 119.34 2d85 h VAL 96 Ca 0.19 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 2d85 h VAL 96 Cb 0.31 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 2d85 h VAL 96 CO -0.04 0.10 0.22 -0.62 0.02 0.00 0.00 177.57 177.25 2d85 n GLU 97 N -4.49 3.80 -3.83 1.57 1.02 -0.43 -4.33 120.64 113.95 2d85 n GLU 97 Ca 0.12 -2.92 -0.29 0.00 -0.02 0.00 0.00 57.16 54.04 2d85 n GLU 97 Cb 0.37 -2.19 0.01 0.00 -0.02 0.00 0.00 31.44 29.62 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 0.01 -4.35 -2.26 2.62 0.31 0.34 -4.85 118.33 110.15 2d85 n VAL 98 Ca 0.37 -0.71 -0.43 0.00 -0.01 0.00 0.00 64.34 63.56 2d85 n VAL 98 Cb 1.31 -3.43 -0.02 0.00 -0.91 0.00 0.00 33.84 30.78 2d85 n VAL 98 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2d85 s ASN 99 N -3.92 6.30 0.50 4.52 3.84 -1.01 -4.87 114.94 120.30 2d85 s ASN 99 Ca 0.24 1.09 0.29 0.00 0.21 0.00 0.00 52.86 54.70 2d85 s ASN 99 Cb -0.09 -2.54 1.22 0.00 -0.55 0.00 0.00 41.25 39.29 2d85 s ASN 99 CO 0.88 -1.41 1.94 1.55 -2.79 0.00 0.00 177.10 177.27 2d85 h PRO 100 N 10.93 0.00 -0.40 0.43 0.13 -1.88 0.11 132.00 141.32 2d85 h PRO 100 Ca -0.29 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 2d85 h PRO 100 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2d85 h PRO 100 CO 1.05 0.12 -0.01 0.87 -0.23 0.00 0.00 178.00 179.80 2d85 h LYS 101 N 0.00 0.64 0.00 0.86 6.56 -1.98 -3.21 116.57 119.44 2d85 h LYS 101 Ca -0.00 -0.16 -0.40 0.00 -1.06 0.00 0.00 60.65 59.03 2d85 h LYS 101 Cb 0.58 -0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 32.09 2d85 h LYS 101 CO 0.02 0.67 -2.46 -1.33 -2.06 0.00 0.00 179.45 174.29 2d85 n MET 102 N -4.24 0.62 0.04 3.15 2.81 -1.12 -4.35 117.12 114.02 2d85 n MET 102 Ca 0.02 0.17 0.17 0.00 -1.81 0.00 0.00 57.70 56.25 2d85 n MET 102 Cb 0.28 -1.49 0.34 0.00 -0.71 0.00 0.00 33.22 31.63 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 -0.24 0.03 -1.22 2.03 2.07 -0.86 0.14 116.25 118.20 2d85 h VAL 103 Ca -0.59 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.28 2d85 h VAL 103 Cb 1.81 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 2d85 h VAL 103 CO -0.17 0.00 0.81 0.00 0.02 0.00 0.00 177.57 178.23 2d85 h MET 104 N 0.00 0.19 0.05 1.57 -0.00 -1.75 -0.31 114.93 114.67 2d85 h MET 104 Ca 0.26 -0.01 -0.37 0.00 -0.00 0.00 0.00 59.70 59.58 2d85 h MET 104 Cb 2.30 -0.04 -0.05 0.00 -0.00 0.00 0.00 31.60 33.82 2d85 h MET 104 CO -0.00 0.12 -2.21 0.25 -0.00 0.00 0.00 176.91 175.07 2d85 n THR 105 N -4.53 1.61 -0.32 -0.10 -2.24 0.49 -3.21 114.28 105.97 2d85 n THR 105 Ca 0.31 -0.66 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 2d85 n THR 105 Cb 1.20 -1.41 0.26 0.00 -2.10 0.00 0.00 70.33 68.29 2d85 n THR 105 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2d85 n VAL 106 N -3.27 -0.39 -0.09 2.28 0.31 -0.15 -0.54 118.33 116.48 2d85 n VAL 106 Ca -0.36 2.04 -0.12 0.00 -0.01 0.00 0.00 64.34 65.88 2d85 n VAL 106 Cb 1.04 -2.97 -0.05 0.00 -0.91 0.00 0.00 33.84 30.95 2d85 n VAL 106 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2d85 n PHE 107 N -5.38 0.79 -0.33 3.52 3.72 -1.08 -4.22 117.46 114.50 2d85 n PHE 107 Ca 0.21 0.34 -0.03 0.00 -0.05 0.00 0.00 57.45 57.92 2d85 n PHE 107 Cb 0.69 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 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 -3.70 -0.22 -0.34 4.37 0.00 -0.99 0.20 120.51 119.84 2d85 n ALA 108 Ca -0.19 0.79 0.19 0.00 0.00 0.00 0.00 53.44 54.23 2d85 n ALA 108 Cb 0.47 -0.30 0.42 0.00 0.00 0.00 0.00 19.45 20.05 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 0.54 0.29 0.00 0.00 3.38 0.22 -3.05 115.31 116.68 2d85 h LEU 110 Ca 0.61 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2d85 h LEU 110 Cb 1.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2d85 h LEU 110 CO -0.38 0.94 0.00 0.23 0.09 0.00 0.00 178.44 179.32 2d85 n MET 111 N -4.50 0.03 0.16 1.13 2.81 0.22 -3.13 117.12 113.85 2d85 n MET 111 Ca -0.09 0.35 0.14 0.00 -1.81 0.00 0.00 57.70 56.28 2d85 n MET 111 Cb 0.48 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.76 0.00 0.84 3.03 0.00 -0.97 0.53 103.07 107.26 2d85 h GLY 112 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2d85 h GLY 112 CO 0.00 0.00 -0.21 0.50 0.00 0.00 0.00 176.54 176.83 2d85 h LYS 113 N 0.00 0.51 -0.35 4.80 1.57 -1.82 -3.26 116.57 118.03 2d85 h LYS 113 Ca 0.15 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2d85 h LYS 113 Cb 1.81 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.11 2d85 h LYS 113 CO -0.00 0.85 0.16 0.78 -0.57 0.00 0.00 179.45 180.67 2d85 h GLY 114 N 0.19 0.54 -2.24 3.86 0.00 -0.21 -3.45 103.07 101.75 2d85 h GLY 114 Ca 0.03 -0.27 -0.52 0.00 0.00 0.00 0.00 47.33 46.57 2d85 h GLY 114 CO 0.05 0.26 -1.49 -0.13 0.00 0.00 0.00 176.54 175.23 2d85 n MET 115 N -4.73 -0.36 -5.04 4.80 0.00 -1.16 -5.00 117.12 105.64 2d85 n MET 115 Ca -0.01 -0.09 -0.28 0.00 -0.00 0.00 0.00 57.70 57.32 2d85 n MET 115 Cb 0.11 -1.38 -0.16 0.00 0.00 0.00 0.00 33.22 31.79 2d85 n MET 115 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2d85 s LYS 116 N -2.75 2.00 0.06 2.12 1.02 -1.26 -4.91 119.74 116.02 2d85 s LYS 116 Ca 0.47 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2d85 s LYS 116 Cb -0.13 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2d85 s LYS 116 CO 0.72 0.36 -0.10 1.03 -0.92 0.00 0.00 175.35 176.44 2d85 s ARG 117 N -0.20 0.70 0.36 1.68 1.81 -1.26 -5.03 118.95 117.01 2d85 s ARG 117 Ca 0.00 -0.92 0.15 0.00 -1.72 0.00 0.00 55.73 53.24 2d85 s ARG 117 Cb -0.11 -0.52 1.04 0.00 -0.45 0.00 0.00 34.95 34.91 2d85 s ARG 117 CO 0.02 0.10 1.72 -0.24 -0.68 0.00 0.00 175.30 176.22 2d85 h VAL 118 N 4.20 0.45 -3.22 3.52 3.04 -2.00 -3.23 116.25 119.00 2d85 h VAL 118 Ca -0.38 -0.15 -0.62 0.00 -1.01 0.00 0.00 66.70 64.54 2d85 h VAL 118 Cb 1.19 -0.01 -0.40 0.00 -2.01 0.00 0.00 31.29 30.06 2d85 h VAL 118 CO 0.43 0.08 -0.70 -0.55 -1.01 0.00 0.00 177.57 175.82 2d85 s SER 119 N -5.11 4.05 0.00 3.17 0.15 -1.26 -5.04 113.70 109.66 2d85 s SER 119 Ca -0.10 -2.59 0.00 0.00 0.70 0.00 0.00 55.95 53.96 2d85 s SER 119 Cb 0.27 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2d85 s SER 119 CO 0.80 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2d85 n GLY 120 N 3.62 1.69 3.66 9.45 0.00 -1.22 -5.12 105.19 117.27 2d85 n GLY 120 Ca 0.06 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 4.91 4.20 0.00 1.61 0.04 -1.26 -4.80 135.00 139.70 2d85 s PRO 121 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2d85 s PRO 121 Cb 0.00 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2d85 s PRO 121 CO 0.00 -0.80 0.00 0.43 0.04 0.00 0.00 177.00 176.67 2d85 n SER 122 N 6.93 0.65 -4.31 6.66 7.64 -1.26 -4.78 113.62 125.15 2d85 n SER 122 Ca 0.16 0.00 -0.61 0.00 1.01 0.00 0.00 58.87 59.43 2d85 n SER 122 Cb 0.43 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.53 2d85 n SER 122 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d85 n SER 123 N -2.12 0.95 0.00 6.43 3.41 -1.26 -5.25 113.62 115.78 2d85 n SER 123 Ca 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 2d85 n SER 123 Cb 0.14 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2d85 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49