#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 -0.40 0.76 1.61 0.01 -1.26 -5.17 113.70 109.25 2d85 s SER 2 Ca 0.00 1.02 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 2d85 s SER 2 Cb 0.00 1.26 0.15 0.00 0.21 0.00 0.00 66.02 67.64 2d85 s SER 2 CO 0.00 -0.22 1.04 -0.94 0.41 0.00 0.00 173.24 173.53 2d85 s SER 3 N 2.28 4.13 -0.20 2.44 1.04 -1.26 -5.11 113.70 117.03 2d85 s SER 3 Ca -0.04 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2d85 s SER 3 Cb -0.11 0.15 0.08 0.00 0.10 0.00 0.00 66.02 66.24 2d85 s SER 3 CO -0.13 -2.02 0.15 -0.83 0.98 0.00 0.00 173.24 171.38 2d85 s GLY 4 N -4.80 0.21 0.31 7.32 0.00 -1.26 -5.01 107.32 104.09 2d85 s GLY 4 Ca 0.68 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 2d85 s GLY 4 CO 0.46 1.95 0.79 -0.56 0.00 0.00 0.00 173.10 175.73 2d85 s SER 5 N 2.21 -0.13 0.65 1.64 0.01 -1.26 -5.13 113.70 111.69 2d85 s SER 5 Ca 0.05 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 2d85 s SER 5 Cb -0.16 0.75 0.08 0.00 0.21 0.00 0.00 66.02 66.90 2d85 s SER 5 CO -0.13 -1.43 0.91 -0.94 0.41 0.00 0.00 173.24 172.05 2d85 s SER 6 N -3.01 4.78 0.00 2.44 1.04 -1.26 -4.60 113.70 113.09 2d85 s SER 6 Ca 0.13 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2d85 s SER 6 Cb -0.05 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2d85 s SER 6 CO 0.08 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.37 2d85 n GLY 7 N -2.65 5.18 3.62 7.32 0.00 -1.26 -4.30 105.19 113.10 2d85 n GLY 7 Ca 0.11 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 2d85 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d85 s ASN 8 N 0.15 1.39 0.12 1.61 0.01 -1.26 -4.98 114.94 111.98 2d85 s ASN 8 Ca 0.00 0.77 0.22 0.00 -0.71 0.00 0.00 52.86 53.14 2d85 s ASN 8 Cb 0.00 -1.13 -0.11 0.00 0.41 0.00 0.00 41.25 40.41 2d85 s ASN 8 CO 0.00 -3.85 0.85 -0.90 -1.51 0.00 0.00 177.10 171.69 2d85 n ASP 9 N -4.60 0.59 -0.02 -1.22 5.68 -1.26 -4.14 116.55 111.58 2d85 n ASP 9 Ca 0.11 0.23 -0.08 0.00 -0.50 0.00 0.00 54.79 54.55 2d85 n ASP 9 Cb 0.59 0.90 -0.14 0.00 -1.14 0.00 0.00 41.12 41.33 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2d85 h ASP 10 N 0.00 0.00 0.64 -1.12 3.58 -2.04 -3.33 116.42 114.15 2d85 h ASP 10 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2d85 h ASP 10 Cb 1.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2d85 h ASP 10 CO 0.00 0.98 0.00 -0.29 -2.88 0.00 0.00 179.24 177.05 2d85 h ILE 11 N 0.00 0.00 -1.04 2.25 2.10 -1.96 -3.03 117.51 115.82 2d85 h ILE 11 Ca -0.27 -0.28 0.28 0.00 1.08 0.00 0.00 64.86 65.67 2d85 h ILE 11 Cb 1.98 1.13 -0.11 0.00 -1.09 0.00 0.00 36.82 38.73 2d85 h ILE 11 CO 0.08 0.00 0.65 0.40 -1.08 0.00 0.00 178.15 178.20 2d85 h ILE 12 N 0.00 0.47 0.05 2.19 2.04 -1.72 0.69 117.51 121.23 2d85 h ILE 12 Ca 0.00 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 2d85 h ILE 12 Cb 0.32 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2d85 h ILE 12 CO 0.00 0.08 -0.57 0.58 0.00 0.00 0.00 178.15 178.24 2d85 h VAL 13 N 0.43 1.50 -0.57 1.67 2.07 -1.81 -3.25 116.25 116.29 2d85 h VAL 13 Ca 0.65 -2.38 0.12 0.00 0.82 0.00 0.00 66.70 65.91 2d85 h VAL 13 Cb 1.50 3.09 -0.10 0.00 -1.52 0.00 0.00 31.29 34.26 2d85 h VAL 13 CO -0.41 0.60 -0.04 -1.13 0.02 0.00 0.00 177.57 176.62 2d85 h ASN 14 N -0.76 -0.32 -0.28 0.57 -0.73 -1.39 -0.09 115.58 112.57 2d85 h ASN 14 Ca -0.13 0.15 0.04 0.00 1.87 0.00 0.00 56.30 58.23 2d85 h ASN 14 Cb 1.30 0.28 -0.04 0.00 0.27 0.00 0.00 38.32 40.13 2d85 h ASN 14 CO 0.01 -0.12 0.05 -0.25 -0.37 0.00 0.00 177.43 176.75 2d85 h TRP 15 N 0.08 0.08 -0.14 0.67 7.01 -1.05 0.19 115.95 122.79 2d85 h TRP 15 Ca 0.29 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.34 2d85 h TRP 15 Cb 0.46 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 2d85 h TRP 15 CO -0.38 0.01 -0.01 0.28 -2.79 0.00 0.00 178.44 175.55 2d85 h VAL 16 N 0.15 0.88 -0.29 2.65 2.07 -1.25 0.14 116.25 120.61 2d85 h VAL 16 Ca 0.13 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2d85 h VAL 16 Cb 0.14 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2d85 h VAL 16 CO -0.18 0.01 0.14 0.78 0.02 0.00 0.00 177.57 178.34 2d85 h ASN 17 N 0.03 0.21 0.77 0.57 2.35 -0.72 -2.59 115.58 116.20 2d85 h ASN 17 Ca 0.07 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2d85 h ASN 17 Cb 0.09 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2d85 h ASN 17 CO -0.13 0.16 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.11 2d85 h GLU 18 N 0.30 -1.00 -1.14 0.81 5.08 -0.66 0.21 114.58 118.19 2d85 h GLU 18 Ca 0.12 0.07 0.43 0.00 -1.00 0.00 0.00 59.36 58.98 2d85 h GLU 18 Cb 0.04 0.23 -0.16 0.00 0.50 0.00 0.00 28.75 29.36 2d85 h GLU 18 CO -0.09 -0.66 0.68 2.41 -1.00 0.00 0.00 179.01 180.35 2d85 n THR 19 N -4.92 -0.33 0.11 1.13 -1.04 0.48 0.15 114.28 109.85 2d85 n THR 19 Ca -0.13 1.87 -0.21 0.00 -2.04 0.00 0.00 64.05 63.54 2d85 n THR 19 Cb 0.41 -3.06 -0.15 0.00 -1.82 0.00 0.00 70.33 65.71 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 0.64 0.12 -4.42 3.38 -1.22 -3.24 115.31 110.57 2d85 h LEU 20 Ca 0.84 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2d85 h LEU 20 Cb 2.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.99 2d85 h LEU 20 CO -0.61 1.61 -0.06 -0.09 0.09 0.00 0.00 178.44 179.38 2d85 h ARG 21 N 0.11 -0.15 -0.14 1.13 2.43 0.46 0.21 114.38 118.43 2d85 h ARG 21 Ca -0.25 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2d85 h ARG 21 Cb 2.09 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.67 2d85 h ARG 21 CO 0.22 -0.02 0.16 1.05 -1.51 0.00 0.00 179.97 179.87 2d85 h GLU 22 N -0.26 0.00 -0.63 0.20 4.11 -0.65 0.26 114.58 117.60 2d85 h GLU 22 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2d85 h GLU 22 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2d85 h GLU 22 CO 0.03 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.11 2d85 n ALA 23 N -2.33 2.47 -4.14 1.06 0.00 -0.86 -4.96 120.51 111.75 2d85 n ALA 23 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 53.44 51.81 2d85 n ALA 23 Cb 0.27 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2d85 n ALA 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2d85 n GLU 24 N 1.28 -2.19 -1.69 0.00 0.28 0.90 -4.92 120.64 114.29 2d85 n GLU 24 Ca 0.22 0.26 -0.29 0.00 -0.16 0.00 0.00 57.16 57.18 2d85 n GLU 24 Cb 0.63 -4.13 0.09 0.00 1.43 0.00 0.00 31.44 29.46 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2d85 s LYS 25 N -6.95 1.98 -0.06 3.44 3.01 0.55 -4.98 119.74 116.73 2d85 s LYS 25 Ca 0.05 0.40 0.19 0.00 -1.01 0.00 0.00 55.97 55.60 2d85 s LYS 25 Cb -0.03 -1.93 0.65 0.00 -1.01 0.00 0.00 37.83 35.51 2d85 s LYS 25 CO 0.94 -1.64 1.55 0.45 0.51 0.00 0.00 175.35 177.17 2d85 n SER 26 N -3.40 4.25 -4.57 2.83 2.88 -1.26 -4.89 113.62 109.45 2d85 n SER 26 Ca 0.07 -2.24 -0.24 0.00 -1.33 0.00 0.00 58.87 55.13 2d85 n SER 26 Cb 0.58 -0.51 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.99 4.15 -0.22 -3.46 0.15 -1.26 -5.05 113.70 107.03 2d85 s SER 27 Ca 0.47 -0.78 -0.31 0.00 0.70 0.00 0.00 55.95 56.03 2d85 s SER 27 Cb 0.28 -0.63 0.16 0.00 -1.71 0.00 0.00 66.02 64.12 2d85 s SER 27 CO 0.27 0.03 1.21 -0.94 1.20 0.00 0.00 173.24 175.01 2d85 s SER 28 N -3.51 -0.16 0.09 5.45 1.04 -1.26 -4.89 113.70 110.46 2d85 s SER 28 Ca 0.30 0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.92 2d85 s SER 28 Cb -0.06 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2d85 s SER 28 CO 0.17 -0.18 -0.18 0.27 0.98 0.00 0.00 173.24 174.30 2d85 s ILE 29 N -1.53 1.47 -0.15 -1.02 -4.36 -1.26 -4.75 121.20 109.61 2d85 s ILE 29 Ca 0.06 -1.42 0.13 0.00 -0.26 0.00 0.00 60.65 59.16 2d85 s ILE 29 Cb -0.01 -1.36 -0.24 0.00 1.25 0.00 0.00 42.46 42.11 2d85 s ILE 29 CO -0.04 -0.10 0.25 -1.20 0.24 0.00 0.00 174.94 174.09 2d85 n SER 30 N 1.22 0.63 -3.60 4.36 7.64 -1.26 -4.92 113.62 117.70 2d85 n SER 30 Ca -0.20 0.14 -0.03 0.00 1.01 0.00 0.00 58.87 59.79 2d85 n SER 30 Cb 0.54 0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.10 2d85 n SER 30 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d85 s SER 31 N -5.90 -0.13 0.62 6.43 0.15 -1.26 -4.98 113.70 108.63 2d85 s SER 31 Ca -0.12 -0.06 0.22 0.00 0.70 0.00 0.00 55.95 56.70 2d85 s SER 31 Cb 0.07 0.18 0.95 0.00 -1.71 0.00 0.00 66.02 65.52 2d85 s SER 31 CO 0.80 -0.31 1.46 -0.26 1.20 0.00 0.00 173.24 176.13 2d85 h PHE 32 N 2.00 0.00 -0.89 3.44 0.04 -2.00 1.06 116.94 120.59 2d85 h PHE 32 Ca -0.17 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.99 2d85 h PHE 32 Cb 1.18 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 39.01 2d85 h PHE 32 CO 0.30 0.00 0.28 1.63 -0.60 0.00 0.00 178.31 179.91 2d85 n LYS 33 N -3.14 2.94 -2.77 1.51 5.02 -1.26 -4.71 118.16 115.75 2d85 n LYS 33 Ca 0.11 -3.56 -0.40 0.00 -2.02 0.00 0.00 58.31 52.44 2d85 n LYS 33 Cb 1.06 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.42 7.60 0.10 4.39 -1.08 0.37 -4.98 116.67 120.65 2d85 s ASP 34 Ca 0.59 1.92 -0.15 0.00 -0.52 0.00 0.00 52.55 54.39 2d85 s ASP 34 Cb 0.47 -2.60 -0.09 0.00 -1.46 0.00 0.00 42.92 39.25 2d85 s ASP 34 CO 0.01 0.14 1.42 1.55 0.52 0.00 0.00 175.17 178.81 2d85 h PRO 35 N 4.06 0.69 -0.52 4.34 0.13 -1.95 -3.02 132.00 135.73 2d85 h PRO 35 Ca -0.45 -0.36 0.15 0.00 -0.87 0.00 0.00 66.00 64.46 2d85 h PRO 35 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2d85 h PRO 35 CO 0.68 0.98 0.49 0.87 -0.23 0.00 0.00 178.00 180.79 2d85 h LYS 36 N 0.43 0.00 0.00 0.86 6.56 -1.94 0.26 116.57 122.75 2d85 h LYS 36 Ca 0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2d85 h LYS 36 Cb 0.85 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.50 2d85 h LYS 36 CO 0.07 0.00 -0.01 0.82 -2.06 0.00 0.00 179.45 178.27 2d85 h ILE 37 N 0.00 0.96 -0.53 1.86 2.04 -1.87 -1.60 117.51 118.38 2d85 h ILE 37 Ca 0.25 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.19 2d85 h ILE 37 Cb 1.23 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2d85 h ILE 37 CO -0.00 0.01 0.37 0.77 0.00 0.00 0.00 178.15 179.29 2d85 h SER 38 N 0.00 0.21 0.55 1.72 4.64 -0.65 0.32 113.55 120.34 2d85 h SER 38 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2d85 h SER 38 Cb 0.01 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2d85 h SER 38 CO 0.00 0.12 -0.31 0.35 -0.87 0.00 0.00 176.83 176.12 2d85 n THR 39 N -4.45 0.00 -1.91 2.95 -2.24 -0.60 -4.56 114.28 103.46 2d85 n THR 39 Ca 0.09 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 2d85 n THR 39 Cb 0.44 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.32 -4.34 0.10 3.42 7.64 0.11 -4.85 113.62 114.38 2d85 n SER 40 Ca 0.08 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.95 2d85 n SER 40 Cb 0.33 -3.32 -0.08 0.00 -1.01 0.00 0.00 64.21 60.13 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 -0.88 -3.43 3.38 -1.78 -0.08 115.31 112.28 2d85 h LEU 41 Ca -0.30 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.29 2d85 h LEU 41 Cb 1.09 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2d85 h LEU 41 CO 0.39 0.18 -0.47 1.55 0.09 0.00 0.00 178.44 180.18 2d85 h PRO 42 N -0.70 0.20 0.00 1.13 0.13 -1.85 0.14 132.00 131.05 2d85 h PRO 42 Ca -0.03 -0.11 -0.13 0.00 -0.87 0.00 0.00 66.00 64.86 2d85 h PRO 42 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2d85 h PRO 42 CO 0.05 0.63 -0.62 0.28 -0.23 0.00 0.00 178.00 178.11 2d85 h VAL 43 N 0.17 1.15 0.12 1.56 2.07 -1.91 -1.46 116.25 117.94 2d85 h VAL 43 Ca 0.01 -2.40 -0.32 0.00 0.82 0.00 0.00 66.70 64.81 2d85 h VAL 43 Cb 0.89 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2d85 h VAL 43 CO 0.07 0.61 -1.66 -0.07 0.02 0.00 0.00 177.57 176.54 2d85 h LEU 44 N 0.00 0.40 -0.53 2.57 3.38 -0.84 -3.33 115.31 116.96 2d85 h LEU 44 Ca -0.01 -0.87 -0.16 0.00 0.09 0.00 0.00 57.88 56.93 2d85 h LEU 44 Cb 1.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2d85 h LEU 44 CO 0.08 1.72 -0.55 -0.78 0.09 0.00 0.00 178.44 179.00 2d85 h ASP 45 N -0.17 0.59 -0.77 -0.43 3.58 -0.82 -2.96 116.42 115.45 2d85 h ASP 45 Ca -0.36 -0.32 0.05 0.00 0.42 0.00 0.00 57.03 56.83 2d85 h ASP 45 Cb 1.87 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 42.71 2d85 h ASP 45 CO 0.06 1.02 0.50 0.25 -2.88 0.00 0.00 179.24 178.20 2d85 h LEU 46 N 0.41 0.75 -0.01 2.28 5.85 -1.43 -1.73 115.31 121.44 2d85 h LEU 46 Ca 0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2d85 h LEU 46 Cb 1.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2d85 h LEU 46 CO 0.10 0.49 -0.01 0.40 -0.34 0.00 0.00 178.44 179.08 2d85 h ILE 47 N 0.86 1.43 -0.67 4.05 2.04 -1.64 -3.24 117.51 120.33 2d85 h ILE 47 Ca 0.32 -1.28 0.12 0.00 1.00 0.00 0.00 64.86 65.02 2d85 h ILE 47 Cb 0.18 2.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.45 2d85 h ILE 47 CO -0.11 0.34 0.23 -0.78 0.00 0.00 0.00 178.15 177.83 2d85 h ASP 48 N -0.51 0.18 -0.87 1.72 3.58 -1.31 0.11 116.42 119.32 2d85 h ASP 48 Ca 0.00 0.10 0.22 0.00 0.42 0.00 0.00 57.03 57.78 2d85 h ASP 48 Cb 0.56 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 2d85 h ASP 48 CO 0.00 0.08 0.60 0.00 -2.88 0.00 0.00 179.24 177.04 2d85 h ALA 49 N 1.50 2.50 0.05 -0.78 0.00 -1.35 -1.57 119.26 119.60 2d85 h ALA 49 Ca 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2d85 h ALA 49 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2d85 h ALA 49 CO -0.38 -0.76 -0.02 0.82 0.00 0.00 0.00 179.25 178.90 2d85 h ILE 50 N 0.20 1.32 -3.25 0.00 1.08 -0.83 -3.44 117.51 112.59 2d85 h ILE 50 Ca 0.43 -1.45 -0.49 0.00 -0.39 0.00 0.00 64.86 62.97 2d85 h ILE 50 Cb 1.39 2.24 -0.38 0.00 -3.07 0.00 0.00 36.82 37.00 2d85 h ILE 50 CO -0.09 0.35 -0.78 -1.58 -0.69 0.00 0.00 178.15 175.36 2d85 s GLN 51 N -3.46 0.96 -0.08 2.37 -0.44 -0.59 -5.11 119.66 113.30 2d85 s GLN 51 Ca -0.16 -0.18 -0.30 0.00 -2.50 0.00 0.00 55.36 52.23 2d85 s GLN 51 Cb 0.00 -1.50 -0.04 0.00 -1.64 0.00 0.00 33.01 29.83 2d85 s GLN 51 CO 0.61 -0.38 1.51 -1.25 0.50 0.00 0.00 175.29 176.28 2d85 s PRO 52 N 1.84 4.21 0.00 1.67 0.04 -1.20 -3.05 135.00 138.50 2d85 s PRO 52 Ca 0.03 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2d85 s PRO 52 Cb -0.14 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2d85 s PRO 52 CO -0.07 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2d85 n GLY 53 N 3.92 1.15 0.41 0.56 0.00 -1.26 -4.98 105.19 105.00 2d85 n GLY 53 Ca 0.16 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 1.96 -1.32 -3.33 1.61 4.64 -1.89 -3.41 113.55 111.82 2d85 h SER 54 Ca 0.00 0.16 -0.56 0.00 -0.47 0.00 0.00 61.79 60.92 2d85 h SER 54 Cb 0.00 0.52 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 2d85 h SER 54 CO 0.00 -0.46 -0.05 -0.63 -0.87 0.00 0.00 176.83 174.82 2d85 s ILE 55 N -5.88 4.79 -0.37 0.95 -1.09 -1.26 -5.06 121.20 113.28 2d85 s ILE 55 Ca -0.16 0.98 0.01 0.00 -2.23 0.00 0.00 60.65 59.25 2d85 s ILE 55 Cb 0.08 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 37.29 2d85 s ILE 55 CO 0.63 0.32 0.15 0.21 -1.23 0.00 0.00 174.94 175.03 2d85 s ASN 56 N -1.55 3.95 0.53 3.58 2.47 -1.26 -4.97 114.94 117.68 2d85 s ASN 56 Ca 0.36 -2.13 0.34 0.00 0.42 0.00 0.00 52.86 51.84 2d85 s ASN 56 Cb -0.16 -1.03 1.49 0.00 -1.45 0.00 0.00 41.25 40.10 2d85 s ASN 56 CO 0.19 -0.35 1.83 1.88 -3.72 0.00 0.00 177.10 176.93 2d85 h TYR 57 N 7.43 0.06 -0.79 0.43 -1.99 -1.97 0.11 116.97 120.25 2d85 h TYR 57 Ca -0.07 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.81 2d85 h TYR 57 Cb 0.98 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.59 2d85 h TYR 57 CO 0.42 0.01 0.34 0.22 -0.00 0.00 0.00 178.16 179.15 2d85 h ASP 58 N 0.04 0.35 0.80 3.88 3.58 -2.00 -1.18 116.42 121.88 2d85 h ASP 58 Ca 0.53 0.11 -0.24 0.00 0.42 0.00 0.00 57.03 57.84 2d85 h ASP 58 Cb 2.05 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 43.13 2d85 h ASP 58 CO -0.03 0.13 -1.28 -0.07 -2.88 0.00 0.00 179.24 175.10 2d85 h LEU 59 N 0.49 0.01-10.07 2.28 3.38 -1.24 -3.46 115.31 106.69 2d85 h LEU 59 Ca 0.44 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.86 2d85 h LEU 59 Cb 0.66 -0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.53 2d85 h LEU 59 CO -0.40 1.01 0.51 -0.76 0.09 0.00 0.00 178.44 178.89 2d85 s LEU 60 N -6.48 3.76 -0.00 1.67 1.43 -0.45 -5.00 118.68 113.62 2d85 s LEU 60 Ca -0.01 2.50 -0.00 0.00 -1.03 0.00 0.00 54.13 55.59 2d85 s LEU 60 Cb 0.09 -4.46 -0.00 0.00 0.03 0.00 0.00 46.19 41.85 2d85 s LEU 60 CO 0.82 -1.52 -0.00 0.11 0.23 0.00 0.00 176.35 175.99 2d85 h LYS 61 N 1.19 0.00 -6.06 1.70 1.79 -1.90 -3.47 116.57 109.81 2d85 h LYS 61 Ca -0.50 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.50 2d85 h LYS 61 Cb 1.29 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.86 2d85 h LYS 61 CO 0.56 0.00 -0.71 0.25 -1.08 0.00 0.00 179.45 178.47 2d85 n THR 62 N -2.14 -1.50 -3.37 -0.16 -2.24 -1.26 -4.94 114.28 98.67 2d85 n THR 62 Ca -0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2d85 n THR 62 Cb 0.00 -2.33 -0.09 0.00 -2.10 0.00 0.00 70.33 65.82 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 -6.47 0.33 -1.32 -0.78 -1.05 -1.26 -4.94 118.70 103.21 2d85 s GLU 63 Ca 0.59 0.35 -0.08 0.00 -0.15 0.00 0.00 54.97 55.68 2d85 s GLU 63 Cb -0.31 -0.58 0.01 0.00 -0.44 0.00 0.00 34.13 32.81 2d85 s GLU 63 CO 0.73 -0.75 0.15 0.27 0.95 0.00 0.00 175.26 176.62 2d85 n ASN 64 N 5.35 -0.25 -4.68 0.83 0.23 -1.26 -4.85 115.26 110.62 2d85 n ASN 64 Ca -0.03 -1.16 -0.31 0.00 -0.53 0.00 0.00 54.58 52.54 2d85 n ASN 64 Cb 0.49 -1.43 0.16 0.00 -2.08 0.00 0.00 39.78 36.92 2d85 n ASN 64 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2d85 s LEU 65 N -7.04 2.89 0.21 -4.53 1.43 -1.26 -5.05 118.68 105.33 2d85 s LEU 65 Ca 0.11 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2d85 s LEU 65 Cb -0.06 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 2d85 s LEU 65 CO 0.90 -2.97 0.16 0.54 0.23 0.00 0.00 176.35 175.20 2d85 s ASN 66 N -2.70 0.22 0.50 2.29 4.22 -1.26 -4.84 114.94 113.37 2d85 s ASN 66 Ca 0.67 -1.39 0.43 0.00 -2.14 0.00 0.00 52.86 50.43 2d85 s ASN 66 Cb -0.23 0.40 1.58 0.00 1.28 0.00 0.00 41.25 44.28 2d85 s ASN 66 CO 0.57 -0.87 1.48 0.47 -2.04 0.00 0.00 177.10 176.71 2d85 n ASP 67 N -0.35 0.06 0.00 3.54 8.00 -1.26 0.71 116.55 127.25 2d85 n ASP 67 Ca 0.02 1.05 -0.00 0.00 0.71 0.00 0.00 54.79 56.57 2d85 n ASP 67 Cb 0.66 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.00 0.01 -2.24 3.32 -2.01 -3.28 116.42 112.22 2d85 h ASP 68 Ca 0.88 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.96 2d85 h ASP 68 Cb 3.33 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 42.84 2d85 h ASP 68 CO -0.14 0.02 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.80 2d85 h GLU 69 N -0.04 -0.41 -0.90 3.56 4.39 -1.58 -2.11 114.58 117.50 2d85 h GLU 69 Ca -0.00 0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.98 2d85 h GLU 69 Cb 0.00 0.09 -0.17 0.00 -0.10 0.00 0.00 28.75 28.58 2d85 h GLU 69 CO 0.00 -0.27 0.03 1.63 -1.16 0.00 0.00 179.01 179.23 2d85 n LYS 70 N -5.38 -0.07 0.32 2.33 5.02 0.22 -0.10 118.16 120.49 2d85 n LYS 70 Ca -0.05 1.34 -0.18 0.00 -2.02 0.00 0.00 58.31 57.40 2d85 n LYS 70 Cb 0.30 -2.14 -0.09 0.00 -0.02 0.00 0.00 35.03 33.08 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 -1.19 -0.92 -0.35 5.85 -1.44 -1.14 115.31 116.12 2d85 h LEU 71 Ca 0.55 0.09 0.22 0.00 0.84 0.00 0.00 57.88 59.58 2d85 h LEU 71 Cb 1.14 0.38 -0.17 0.00 0.37 0.00 0.00 40.66 42.37 2d85 h LEU 71 CO -0.84 -0.64 -0.05 0.78 -0.34 0.00 0.00 178.44 177.35 2d85 h ASN 72 N -0.99 -0.55 -0.62 1.25 2.35 -0.44 0.63 115.58 117.21 2d85 h ASN 72 Ca -0.07 0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2d85 h ASN 72 Cb 0.84 0.48 -0.03 0.00 0.05 0.00 0.00 38.32 39.66 2d85 h ASN 72 CO 0.00 -0.30 0.23 0.78 -1.65 0.00 0.00 177.43 176.49 2d85 h ASN 73 N 0.03 0.88 -0.29 5.81 2.35 -1.08 -2.05 115.58 121.24 2d85 h ASN 73 Ca 0.51 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2d85 h ASN 73 Cb 0.95 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2d85 h ASN 73 CO -0.87 0.83 0.19 0.00 -1.65 0.00 0.00 177.43 175.93 2d85 h ALA 74 N 1.09 0.36 -0.72 -0.83 0.00 0.14 0.04 119.26 119.34 2d85 h ALA 74 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2d85 h ALA 74 Cb 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2d85 h ALA 74 CO -0.01 -0.17 0.40 0.87 0.00 0.00 0.00 179.25 180.34 2d85 h LYS 75 N 0.38 1.00 -0.32 0.00 1.57 -0.77 -2.53 116.57 115.90 2d85 h LYS 75 Ca 0.10 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2d85 h LYS 75 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2d85 h LYS 75 CO -0.02 0.72 -0.19 -0.92 -0.57 0.00 0.00 179.45 178.47 2d85 h TYR 76 N 1.01 0.80 0.17 -1.35 3.20 -0.90 -2.43 116.97 117.46 2d85 h TYR 76 Ca 0.26 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2d85 h TYR 76 Cb 0.01 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2d85 h TYR 76 CO 0.01 0.92 -0.16 0.00 -1.64 0.00 0.00 178.16 177.29 2d85 h ALA 77 N 0.75 -0.89 -0.99 1.82 0.00 -0.63 0.26 119.26 119.59 2d85 h ALA 77 Ca 0.07 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.12 2d85 h ALA 77 Cb 0.74 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2d85 h ALA 77 CO 0.05 -0.90 0.58 0.82 0.00 0.00 0.00 179.25 179.80 2d85 h ILE 78 N -0.33 0.63 -0.33 0.00 2.04 -1.57 -0.17 117.51 117.78 2d85 h ILE 78 Ca -0.02 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2d85 h ILE 78 Cb 0.28 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2d85 h ILE 78 CO -0.02 0.12 0.14 0.28 0.00 0.00 0.00 178.15 178.67 2d85 h SER 79 N 0.66 0.45 -0.37 1.72 0.02 -1.10 -3.06 113.55 111.86 2d85 h SER 79 Ca 0.60 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.47 2d85 h SER 79 Cb 1.02 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.36 2d85 h SER 79 CO -0.43 0.48 -0.22 0.24 -1.14 0.00 0.00 176.83 175.76 2d85 h MET 80 N 0.38 -0.16 -0.97 3.45 2.86 0.14 -0.72 114.93 119.92 2d85 h MET 80 Ca 0.11 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.94 2d85 h MET 80 Cb 0.17 0.04 -0.17 0.00 0.06 0.00 0.00 31.60 31.69 2d85 h MET 80 CO -0.01 -0.11 -0.30 0.00 1.06 0.00 0.00 176.91 177.55 2d85 h ALA 81 N 1.03 0.44 -0.09 6.32 0.00 -1.38 0.13 119.26 125.72 2d85 h ALA 81 Ca 0.18 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 2d85 h ALA 81 Cb 0.45 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2d85 h ALA 81 CO -0.47 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 178.27 2d85 h ARG 82 N -0.01 0.17 -0.79 0.00 3.08 -0.79 0.02 114.38 116.08 2d85 h ARG 82 Ca 0.41 -0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.57 2d85 h ARG 82 Cb 0.66 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.56 2d85 h ARG 82 CO -0.99 0.50 -0.09 0.87 -1.07 0.00 0.00 179.97 179.19 2d85 h LYS 83 N -0.17 0.04 0.00 0.04 6.56 0.62 0.49 116.57 124.15 2d85 h LYS 83 Ca 0.02 -0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.51 2d85 h LYS 83 Cb 0.44 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2d85 h LYS 83 CO 0.01 0.03 -0.49 -0.84 -2.06 0.00 0.00 179.45 176.10 2d85 h ILE 84 N 0.04 0.91 0.00 1.86 3.07 -1.07 -3.48 117.51 118.83 2d85 h ILE 84 Ca 0.41 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.73 2d85 h ILE 84 Cb 0.69 2.31 0.00 0.00 -0.27 0.00 0.00 36.82 39.55 2d85 h ILE 84 CO -0.76 0.48 0.00 0.61 -1.05 0.00 0.00 178.15 177.44 2d85 n GLY 85 N 0.96 3.07 3.42 0.16 0.00 0.17 -5.08 105.19 107.89 2d85 n GLY 85 Ca 0.01 -0.51 -0.48 0.00 0.00 0.00 0.00 46.02 45.04 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 n ALA 86 N 0.00 0.46 -1.80 4.61 0.00 -0.16 -4.50 120.51 119.11 2d85 n ALA 86 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 2d85 n ALA 86 Cb 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.04 2d85 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d85 s ARG 87 N 7.54 3.99 -0.10 0.00 0.52 -1.26 -2.16 118.95 127.48 2d85 s ARG 87 Ca 1.23 1.20 -0.11 0.00 -0.52 0.00 0.00 55.73 57.53 2d85 s ARG 87 Cb -1.15 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 32.21 2d85 s ARG 87 CO 0.52 -0.25 0.30 0.54 0.02 0.00 0.00 175.30 176.43 2d85 s VAL 88 N -2.15 0.01 -0.37 3.52 0.11 -1.26 -4.82 120.40 115.43 2d85 s VAL 88 Ca 0.64 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2d85 s VAL 88 Cb -0.12 -0.44 0.08 0.00 -1.53 0.00 0.00 36.38 34.37 2d85 s VAL 88 CO 0.18 -0.03 0.13 -0.47 -3.33 0.00 0.00 175.10 171.59 2d85 s TYR 89 N 0.00 3.45 0.10 1.54 5.04 -1.26 -5.02 117.35 121.20 2d85 s TYR 89 Ca -0.01 -2.13 -0.24 0.00 -2.44 0.00 0.00 57.07 52.25 2d85 s TYR 89 Cb -0.02 -2.77 0.08 0.00 0.35 0.00 0.00 41.96 39.59 2d85 s TYR 89 CO 0.01 -0.89 1.10 0.00 -1.34 0.00 0.00 175.55 174.43 2d85 n ALA 90 N 4.63 -2.98 -2.67 3.97 0.00 -1.26 -4.70 120.51 117.51 2d85 n ALA 90 Ca -0.07 -0.91 -0.28 0.00 0.00 0.00 0.00 53.44 52.17 2d85 n ALA 90 Cb 0.42 0.40 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 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 2.01 0.03 0.00 2.96 -1.26 -5.05 118.68 117.37 2d85 s LEU 91 Ca 0.25 -0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 53.53 2d85 s LEU 91 Cb -0.02 -1.15 -0.15 0.00 0.50 0.00 0.00 46.19 45.37 2d85 s LEU 91 CO 0.03 0.22 1.34 1.55 -1.32 0.00 0.00 176.35 178.17 2d85 h PRO 92 N 5.95 0.31 -1.28 0.98 0.13 -1.96 -2.80 132.00 133.33 2d85 h PRO 92 Ca -0.35 -0.16 0.37 0.00 -0.87 0.00 0.00 66.00 64.99 2d85 h PRO 92 Cb 1.16 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2d85 h PRO 92 CO 0.47 0.71 1.05 0.93 -0.23 0.00 0.00 178.00 180.93 2d85 h GLU 93 N -0.07 0.00 0.06 0.86 5.08 -1.94 0.83 114.58 119.40 2d85 h GLU 93 Ca 0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 2d85 h GLU 93 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2d85 h GLU 93 CO 0.03 0.00 -1.86 -0.25 -1.00 0.00 0.00 179.01 175.93 2d85 n ASP 94 N -3.83 1.51 -0.34 1.42 8.00 -1.17 -4.14 116.55 118.00 2d85 n ASP 94 Ca 0.28 0.31 0.10 0.00 0.71 0.00 0.00 54.79 56.18 2d85 n ASP 94 Cb 1.45 -0.47 0.27 0.00 -0.02 0.00 0.00 41.12 42.35 2d85 n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d85 h LEU 95 N 0.04 0.78 -2.17 0.64 5.85 0.95 0.28 115.31 121.68 2d85 h LEU 95 Ca -0.36 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2d85 h LEU 95 Cb 2.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.99 2d85 h LEU 95 CO 0.08 0.34 0.29 0.58 -0.34 0.00 0.00 178.44 179.39 2d85 h VAL 96 N 0.81 0.21 -0.47 1.05 2.07 -1.60 0.36 116.25 118.69 2d85 h VAL 96 Ca 0.52 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.89 2d85 h VAL 96 Cb 0.70 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 2d85 h VAL 96 CO -0.34 0.00 0.09 -0.62 0.02 0.00 0.00 177.57 176.73 2d85 n GLU 97 N -3.35 2.70 -4.17 1.57 1.02 0.99 -4.62 120.64 114.78 2d85 n GLU 97 Ca 0.01 -3.04 -0.35 0.00 -0.02 0.00 0.00 57.16 53.76 2d85 n GLU 97 Cb 0.39 -1.96 -0.05 0.00 -0.02 0.00 0.00 31.44 29.80 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 -0.69 -2.01 -2.37 2.62 0.31 0.12 -4.83 118.33 111.49 2d85 n VAL 98 Ca 0.33 -0.55 -0.43 0.00 -0.01 0.00 0.00 64.34 63.68 2d85 n VAL 98 Cb 1.13 -1.76 -0.02 0.00 -0.91 0.00 0.00 33.84 32.28 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 -4.08 6.71 0.00 4.52 0.02 -1.16 -4.87 114.94 116.08 2d85 s ASN 99 Ca 0.17 1.44 0.15 0.00 -1.02 0.00 0.00 52.86 53.60 2d85 s ASN 99 Cb -0.09 -2.54 0.83 0.00 0.02 0.00 0.00 41.25 39.47 2d85 s ASN 99 CO 0.97 -1.01 1.38 -0.81 0.02 0.00 0.00 177.10 177.65 2d85 n PRO 100 N 7.16 0.34 0.10 -0.60 -0.04 -1.26 -2.29 135.00 138.40 2d85 n PRO 100 Ca 0.15 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.52 2d85 n PRO 100 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.30 0.07 0.54 6.56 -1.98 -3.33 116.57 118.74 2d85 h LYS 101 Ca 0.00 -0.52 -0.36 0.00 -1.06 0.00 0.00 60.65 58.72 2d85 h LYS 101 Cb 0.08 0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.89 2d85 h LYS 101 CO 0.00 1.22 -2.03 0.00 -2.06 0.00 0.00 179.45 176.58 2d85 n MET 102 N -3.53 0.70 0.32 3.15 0.00 -1.07 -4.10 117.12 112.59 2d85 n MET 102 Ca -0.12 0.28 0.10 0.00 0.00 0.00 0.00 57.70 57.97 2d85 n MET 102 Cb 1.04 -1.66 0.55 0.00 0.00 0.00 0.00 33.22 33.15 2d85 n MET 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2d85 h VAL 103 N -0.17 0.00 -0.85 3.17 2.07 -1.63 -0.62 116.25 118.22 2d85 h VAL 103 Ca -0.46 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.22 2d85 h VAL 103 Cb 1.87 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.99 2d85 h VAL 103 CO -0.03 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.97 2d85 h MET 104 N 0.00 0.51 0.04 1.57 -0.00 -1.71 -2.51 114.93 112.83 2d85 h MET 104 Ca 0.00 -0.03 -0.37 0.00 -0.00 0.00 0.00 59.70 59.30 2d85 h MET 104 Cb 1.04 -0.12 -0.05 0.00 -0.00 0.00 0.00 31.60 32.48 2d85 h MET 104 CO 0.00 0.34 -2.15 0.25 -0.00 0.00 0.00 176.91 175.35 2d85 n THR 105 N -4.94 1.60 -0.35 -0.10 -2.24 -0.26 -3.19 114.28 104.80 2d85 n THR 105 Ca 0.18 -0.49 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2d85 n THR 105 Cb 0.50 -1.70 0.04 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.68 -0.47 -0.07 2.28 0.31 -1.12 -0.08 118.33 115.50 2d85 n VAL 106 Ca -0.41 2.11 -0.08 0.00 -0.01 0.00 0.00 64.34 65.96 2d85 n VAL 106 Cb 0.95 -2.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 2d85 n VAL 106 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2d85 h PHE 107 N 0.00 0.00 -0.92 3.52 0.04 -1.67 -3.32 116.94 114.59 2d85 h PHE 107 Ca 0.32 0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.18 2d85 h PHE 107 Cb 0.55 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.58 2d85 h PHE 107 CO -0.79 0.52 -0.53 0.00 -0.60 0.00 0.00 178.31 176.92 2d85 n ALA 108 N -2.92 -0.54 -0.34 2.45 0.00 -0.93 0.11 120.51 118.34 2d85 n ALA 108 Ca -0.08 0.80 0.15 0.00 0.00 0.00 0.00 53.44 54.31 2d85 n ALA 108 Cb 0.28 -0.16 0.35 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.08 -1.17 0.00 3.38 0.73 -3.24 115.31 115.54 2d85 h LEU 110 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 2d85 h LEU 110 Cb 1.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2d85 h LEU 110 CO -0.45 0.02 0.55 0.00 0.09 0.00 0.00 178.44 178.64 2d85 h MET 111 N -0.24 0.00 -0.19 1.13 -0.00 0.03 -1.43 114.93 114.24 2d85 h MET 111 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.74 2d85 h MET 111 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 2d85 h MET 111 CO 0.02 0.00 0.71 0.78 -0.00 0.00 0.00 176.91 178.42 2d85 h GLY 112 N 0.00 0.00 1.08 -3.00 0.00 -0.26 0.44 103.07 101.32 2d85 h GLY 112 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2d85 h GLY 112 CO 0.00 0.00 0.13 1.70 0.00 0.00 0.00 176.54 178.37 2d85 h LYS 113 N 0.00 1.13 -4.45 4.80 3.11 -1.49 -3.40 116.57 116.27 2d85 h LYS 113 Ca 0.09 -0.29 -0.55 0.00 -2.81 0.00 0.00 60.65 57.08 2d85 h LYS 113 Cb 1.51 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 32.56 2d85 h LYS 113 CO -0.00 1.02 1.07 0.41 -2.81 0.00 0.00 179.45 179.14 2d85 n GLY 114 N -0.61 -0.16 3.57 5.01 0.00 0.15 -4.65 105.19 108.50 2d85 n GLY 114 Ca 0.05 0.86 -0.14 0.00 0.00 0.00 0.00 46.02 46.79 2d85 n GLY 114 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d85 s MET 115 N 5.01 1.35 0.08 1.61 1.75 -1.26 -4.65 119.30 123.19 2d85 s MET 115 Ca 0.94 -0.05 0.07 0.00 -1.25 0.00 0.00 55.69 55.39 2d85 s MET 115 Cb -1.11 -4.90 -0.03 0.00 2.84 0.00 0.00 34.83 31.62 2d85 s MET 115 CO 0.48 -5.07 -0.18 0.15 -0.65 0.00 0.00 175.02 169.75 2d85 s LYS 116 N 8.63 1.04 0.15 4.11 -0.14 -1.26 -5.12 119.74 127.15 2d85 s LYS 116 Ca 0.86 -1.01 0.01 0.00 -1.36 0.00 0.00 55.97 54.48 2d85 s LYS 116 Cb -0.08 -1.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.86 2d85 s LYS 116 CO 0.14 0.28 -0.01 1.03 -0.76 0.00 0.00 175.35 176.02 2d85 s ARG 117 N -1.64 1.01 -0.20 1.68 0.52 -1.26 -4.37 118.95 114.68 2d85 s ARG 117 Ca 0.03 -1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 53.75 2d85 s ARG 117 Cb -0.10 -0.20 0.06 0.00 0.52 0.00 0.00 34.95 35.24 2d85 s ARG 117 CO 0.03 -0.11 0.06 0.08 0.02 0.00 0.00 175.30 175.38 2d85 s VAL 118 N -3.68 0.38 0.52 3.52 1.01 -1.26 -5.05 120.40 115.84 2d85 s VAL 118 Ca 0.20 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2d85 s VAL 118 Cb 0.06 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 2d85 s VAL 118 CO 0.01 -0.28 0.75 -0.24 0.00 0.00 0.00 175.10 175.34 2d85 n SER 119 N 5.10 -0.03 -3.69 3.32 2.88 -1.26 -5.01 113.62 114.93 2d85 n SER 119 Ca -0.08 0.85 -0.14 0.00 -1.33 0.00 0.00 58.87 58.17 2d85 n SER 119 Cb 0.47 -1.26 -0.08 0.00 -0.75 0.00 0.00 64.21 62.59 2d85 n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d85 s GLY 120 N -1.06 -0.32 0.00 0.46 0.00 -1.26 -5.02 107.32 100.12 2d85 s GLY 120 Ca 0.68 0.95 0.12 0.00 0.00 0.00 0.00 44.72 46.48 2d85 s GLY 120 CO 0.54 0.72 1.17 -1.55 0.00 0.00 0.00 173.10 173.98 2d85 n PRO 121 N 1.85 0.49 -0.33 2.90 -0.04 -1.26 -3.94 135.00 134.66 2d85 n PRO 121 Ca -0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2d85 n PRO 121 Cb 0.56 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 2d85 n PRO 121 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2d85 h SER 122 N 0.00 -1.25 -3.68 3.54 4.64 -2.00 -3.30 113.55 111.50 2d85 h SER 122 Ca 0.00 0.29 -0.70 0.00 -0.47 0.00 0.00 61.79 60.91 2d85 h SER 122 Cb 0.00 0.68 -0.29 0.00 -0.31 0.00 0.00 62.40 62.48 2d85 h SER 122 CO 0.00 -0.30 -0.61 -0.44 -0.87 0.00 0.00 176.83 174.61 2d85 s SER 123 N -5.30 5.29 0.00 4.97 0.01 -1.25 -5.34 113.70 112.08 2d85 s SER 123 Ca -0.14 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 55.99 2d85 s SER 123 Cb 0.21 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.57 2d85 s SER 123 CO 0.72 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.66