#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 2.99 -0.08 1.61 1.04 -1.26 -5.14 113.70 112.86 2d85 s SER 2 Ca 0.00 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.88 2d85 s SER 2 Cb 0.00 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 2d85 s SER 2 CO 0.00 0.23 -0.16 -0.94 0.98 0.00 0.00 173.24 173.35 2d85 s SER 3 N -1.27 3.83 0.00 7.02 1.04 -1.26 -4.40 113.70 118.66 2d85 s SER 3 Ca 0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2d85 s SER 3 Cb -0.10 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.89 2d85 s SER 3 CO 0.02 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2d85 n GLY 4 N 2.88 0.69 0.10 7.32 0.00 -1.26 -4.82 105.19 110.11 2d85 n GLY 4 Ca -0.18 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 2d85 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d85 h SER 5 N 0.00 -0.11 -3.66 1.61 0.87 -2.06 -3.46 113.55 106.74 2d85 h SER 5 Ca 0.00 -0.28 -0.50 0.00 -1.23 0.00 0.00 61.79 59.77 2d85 h SER 5 Cb 0.00 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2d85 h SER 5 CO 0.00 0.50 0.10 -0.55 -0.53 0.00 0.00 176.83 176.35 2d85 s SER 6 N -5.58 6.89 0.00 6.23 0.15 -1.26 -5.05 113.70 115.08 2d85 s SER 6 Ca -0.08 1.33 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2d85 s SER 6 Cb -0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2d85 s SER 6 CO 0.28 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2d85 n GLY 7 N 0.07 3.52 0.19 9.45 0.00 -1.26 -4.15 105.19 113.01 2d85 n GLY 7 Ca 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 2d85 n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2d85 n ASN 8 N 0.00 3.09 0.02 1.61 0.23 -1.26 -4.41 115.26 114.54 2d85 n ASN 8 Ca 0.00 -0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 2d85 n ASN 8 Cb 0.00 -0.05 -0.13 0.00 -2.08 0.00 0.00 39.78 37.52 2d85 n ASN 8 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2d85 h ASP 9 N -0.02 0.03 -0.09 0.53 3.32 -1.97 -3.34 116.42 114.88 2d85 h ASP 9 Ca -0.06 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.71 2d85 h ASP 9 Cb 1.08 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.63 2d85 h ASP 9 CO -0.02 1.04 -0.87 -0.78 -1.72 0.00 0.00 179.24 176.89 2d85 h ASP 10 N 0.01 0.93 -0.02 6.45 1.82 -1.86 -3.09 116.42 120.65 2d85 h ASP 10 Ca -0.16 -0.66 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 2d85 h ASP 10 Cb 1.90 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.63 2d85 h ASP 10 CO 0.11 1.46 0.04 -0.29 -1.61 0.00 0.00 179.24 178.95 2d85 h ILE 11 N 0.49 0.22 -1.31 2.25 2.10 -1.77 -2.54 117.51 116.95 2d85 h ILE 11 Ca -0.08 0.00 0.40 0.00 1.08 0.00 0.00 64.86 66.26 2d85 h ILE 11 Cb 1.51 0.96 -0.10 0.00 -1.09 0.00 0.00 36.82 38.10 2d85 h ILE 11 CO 0.18 0.00 0.87 0.40 -1.08 0.00 0.00 178.15 178.52 2d85 h ILE 12 N 0.00 0.24 0.09 2.19 2.04 -1.65 0.47 117.51 120.88 2d85 h ILE 12 Ca 0.01 -0.05 -0.20 0.00 1.00 0.00 0.00 64.86 65.62 2d85 h ILE 12 Cb 0.09 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2d85 h ILE 12 CO -0.00 0.02 -1.01 0.58 0.00 0.00 0.00 178.15 177.74 2d85 h VAL 13 N 0.13 1.26 0.78 1.67 2.07 -1.69 -3.31 116.25 117.17 2d85 h VAL 13 Ca 0.75 -2.40 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 2d85 h VAL 13 Cb 2.42 2.89 0.01 0.00 -1.52 0.00 0.00 31.29 35.08 2d85 h VAL 13 CO -0.29 0.64 -0.38 0.78 0.02 0.00 0.00 177.57 178.34 2d85 h ASN 14 N -0.52 -0.91 -0.92 0.57 4.21 -0.88 -2.12 115.58 115.01 2d85 h ASN 14 Ca -0.22 0.03 0.24 0.00 1.21 0.00 0.00 56.30 57.56 2d85 h ASN 14 Cb 1.55 0.24 -0.17 0.00 -1.12 0.00 0.00 38.32 38.82 2d85 h ASN 14 CO 0.04 -0.64 0.00 -0.25 -1.29 0.00 0.00 177.43 175.29 2d85 h TRP 15 N -1.06 -0.08 0.04 1.19 7.01 -0.41 0.24 115.95 122.88 2d85 h TRP 15 Ca -0.11 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 2d85 h TRP 15 Cb 0.82 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.06 2d85 h TRP 15 CO -0.02 -0.37 -0.02 0.28 -2.79 0.00 0.00 178.44 175.52 2d85 h VAL 16 N 0.04 1.01 -0.33 2.65 2.07 -1.60 -0.66 116.25 119.43 2d85 h VAL 16 Ca 0.54 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.99 2d85 h VAL 16 Cb 1.04 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 2d85 h VAL 16 CO -0.85 0.03 -0.11 0.78 0.02 0.00 0.00 177.57 177.43 2d85 h ASN 17 N -0.11 -0.40 0.30 0.57 2.35 0.09 -1.42 115.58 116.97 2d85 h ASN 17 Ca -0.00 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2d85 h ASN 17 Cb 0.09 0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2d85 h ASN 17 CO 0.01 -0.15 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.17 2d85 h GLU 18 N -0.05 -0.39 -0.80 0.81 4.39 -0.98 0.64 114.58 118.21 2d85 h GLU 18 Ca 0.16 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.08 2d85 h GLU 18 Cb 0.30 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 28.91 2d85 h GLU 18 CO -0.36 -0.25 0.16 1.15 -1.16 0.00 0.00 179.01 178.54 2d85 h THR 19 N -0.41 0.40 -0.20 1.13 2.02 -0.70 0.27 112.91 115.42 2d85 h THR 19 Ca -0.04 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 2d85 h THR 19 Cb 0.31 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2d85 h THR 19 CO 0.07 0.04 -0.29 -0.07 0.37 0.00 0.00 175.52 175.64 2d85 h LEU 20 N 0.21 0.60 -0.80 2.58 3.38 -1.01 -3.15 115.31 117.12 2d85 h LEU 20 Ca 0.47 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2d85 h LEU 20 Cb 0.86 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2d85 h LEU 20 CO -0.60 1.00 0.49 -0.09 0.09 0.00 0.00 178.44 179.32 2d85 h ARG 21 N 0.22 0.86 -0.88 1.13 2.43 0.96 0.22 114.38 119.32 2d85 h ARG 21 Ca 0.02 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2d85 h ARG 21 Cb 0.87 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 2d85 h ARG 21 CO 0.07 0.57 0.53 0.93 -1.51 0.00 0.00 179.97 180.56 2d85 h GLU 22 N 0.89 0.91 0.00 0.20 5.08 -0.54 -0.09 114.58 121.03 2d85 h GLU 22 Ca 0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2d85 h GLU 22 Cb 0.17 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2d85 h GLU 22 CO -0.17 0.60 -0.27 0.00 -1.00 0.00 0.00 179.01 178.17 2d85 n ALA 23 N -2.36 2.86 -2.47 3.43 0.00 -0.70 -4.93 120.51 116.33 2d85 n ALA 23 Ca 0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2d85 n ALA 23 Cb 0.23 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.66 -1.29 -2.21 0.00 1.02 0.56 -5.02 120.64 112.05 2d85 n GLU 24 Ca 0.06 0.23 -0.33 0.00 -0.02 0.00 0.00 57.16 57.09 2d85 n GLU 24 Cb 0.36 -3.65 -0.00 0.00 -0.02 0.00 0.00 31.44 28.13 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2d85 s LYS 25 N -4.85 3.45 0.00 3.49 3.01 -0.02 -4.94 119.74 119.87 2d85 s LYS 25 Ca 0.08 1.31 0.18 0.00 -1.01 0.00 0.00 55.97 56.53 2d85 s LYS 25 Cb -0.04 -2.04 0.58 0.00 -1.01 0.00 0.00 37.83 35.32 2d85 s LYS 25 CO 0.10 -0.72 1.44 -1.13 0.51 0.00 0.00 175.35 175.55 2d85 n SER 26 N -1.64 1.94 -4.96 2.83 3.41 -1.26 -4.74 113.62 109.21 2d85 n SER 26 Ca 0.09 -1.83 -0.23 0.00 -0.26 0.00 0.00 58.87 56.64 2d85 n SER 26 Cb 0.52 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2d85 n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d85 s SER 27 N -1.36 6.33 -0.17 4.04 1.04 -1.26 -5.08 113.70 117.23 2d85 s SER 27 Ca 0.31 0.14 -0.35 0.00 0.48 0.00 0.00 55.95 56.53 2d85 s SER 27 Cb 0.16 -1.89 0.14 0.00 0.10 0.00 0.00 66.02 64.53 2d85 s SER 27 CO 0.24 -0.06 1.21 -0.94 0.98 0.00 0.00 173.24 174.67 2d85 s SER 28 N -3.76 -0.13 0.01 7.02 1.04 -1.26 -4.86 113.70 111.75 2d85 s SER 28 Ca 0.35 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.79 2d85 s SER 28 Cb -0.10 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2d85 s SER 28 CO 0.29 -0.25 -0.07 0.27 0.98 0.00 0.00 173.24 174.46 2d85 s ILE 29 N -2.44 0.56 -0.10 -1.02 -4.36 -1.26 -4.74 121.20 107.84 2d85 s ILE 29 Ca 0.10 -0.46 -0.11 0.00 -0.26 0.00 0.00 60.65 59.92 2d85 s ILE 29 Cb -0.01 -0.50 -0.27 0.00 1.25 0.00 0.00 42.46 42.94 2d85 s ILE 29 CO -0.05 0.05 0.48 -1.28 0.24 0.00 0.00 174.94 174.38 2d85 h SER 30 N 5.67 0.43 -5.39 4.36 0.87 -1.96 -3.47 113.55 114.06 2d85 h SER 30 Ca -0.31 -0.89 0.19 0.00 -1.23 0.00 0.00 61.79 59.55 2d85 h SER 30 Cb 1.19 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.94 2d85 h SER 30 CO 0.48 1.75 0.54 -0.55 -0.53 0.00 0.00 176.83 178.53 2d85 s SER 31 N -7.10 -0.12 0.55 6.23 0.15 -1.26 -5.01 113.70 107.15 2d85 s SER 31 Ca -0.21 -0.44 0.34 0.00 0.70 0.00 0.00 55.95 56.34 2d85 s SER 31 Cb 0.06 0.46 1.50 0.00 -1.71 0.00 0.00 66.02 66.32 2d85 s SER 31 CO 0.78 -0.87 1.83 -0.26 1.20 0.00 0.00 173.24 175.92 2d85 h PHE 32 N 2.00 0.00 -0.84 3.44 0.04 -2.00 0.33 116.94 119.91 2d85 h PHE 32 Ca -0.26 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.95 2d85 h PHE 32 Cb 1.22 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 39.13 2d85 h PHE 32 CO 0.59 0.00 0.73 1.63 -0.60 0.00 0.00 178.31 180.66 2d85 n LYS 33 N -4.12 2.39 -3.10 1.51 4.01 -1.26 -4.73 118.16 112.87 2d85 n LYS 33 Ca 0.21 -2.74 -0.40 0.00 -0.51 0.00 0.00 58.31 54.87 2d85 n LYS 33 Cb 1.09 -2.07 -0.05 0.00 -0.51 0.00 0.00 35.03 33.48 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 -1.19 6.88 0.31 4.39 2.15 0.11 -4.96 116.67 124.37 2d85 s ASP 34 Ca 0.54 1.06 0.10 0.00 0.43 0.00 0.00 52.55 54.68 2d85 s ASP 34 Cb 0.43 -2.38 0.50 0.00 -0.30 0.00 0.00 42.92 41.17 2d85 s ASP 34 CO -0.00 -0.14 1.71 1.55 -0.17 0.00 0.00 175.17 178.12 2d85 h PRO 35 N 6.90 0.07 -0.09 4.34 0.13 -1.92 -2.90 132.00 138.52 2d85 h PRO 35 Ca -0.39 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.74 2d85 h PRO 35 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2d85 h PRO 35 CO 0.76 0.54 0.13 0.87 -0.23 0.00 0.00 178.00 180.06 2d85 h LYS 36 N 0.05 0.00 0.00 0.86 6.56 -1.93 0.24 116.57 122.35 2d85 h LYS 36 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2d85 h LYS 36 Cb 0.88 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2d85 h LYS 36 CO 0.07 0.00 -0.12 0.82 -2.06 0.00 0.00 179.45 178.16 2d85 h ILE 37 N 0.00 0.65 -0.96 1.86 2.04 -1.85 -2.64 117.51 116.62 2d85 h ILE 37 Ca 0.04 -0.50 0.16 0.00 1.00 0.00 0.00 64.86 65.57 2d85 h ILE 37 Cb 0.30 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 2d85 h ILE 37 CO -0.00 0.12 0.60 -1.28 0.00 0.00 0.00 178.15 177.59 2d85 h SER 38 N 0.00 0.72 0.78 1.72 0.87 -1.13 0.55 113.55 117.05 2d85 h SER 38 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2d85 h SER 38 Cb 0.30 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2d85 h SER 38 CO 0.02 0.32 -0.07 0.35 -0.53 0.00 0.00 176.83 176.92 2d85 n THR 39 N -4.63 0.00 -2.07 2.23 -2.24 -0.99 -4.73 114.28 101.85 2d85 n THR 39 Ca 0.20 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.80 2d85 n THR 39 Cb 0.52 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.39 -5.08 0.07 3.42 7.64 0.19 -4.87 113.62 113.60 2d85 n SER 40 Ca 0.09 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 2d85 n SER 40 Cb 0.31 -4.14 -0.09 0.00 -1.01 0.00 0.00 64.21 59.28 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 -0.16 -0.97 -3.43 3.38 -1.78 -0.92 115.31 111.43 2d85 h LEU 41 Ca -0.39 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.18 2d85 h LEU 41 Cb 1.25 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2d85 h LEU 41 CO 0.49 0.23 -0.48 1.55 0.09 0.00 0.00 178.44 180.32 2d85 h PRO 42 N -0.56 0.08 -0.10 1.13 0.13 -1.85 -0.14 132.00 130.69 2d85 h PRO 42 Ca -0.02 -0.04 -0.22 0.00 -0.87 0.00 0.00 66.00 64.85 2d85 h PRO 42 Cb 0.44 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.58 2d85 h PRO 42 CO 0.03 0.54 -0.81 0.28 -0.23 0.00 0.00 178.00 177.81 2d85 h VAL 43 N 0.06 1.32 0.01 1.56 2.07 -1.91 -1.89 116.25 117.47 2d85 h VAL 43 Ca 0.00 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 2d85 h VAL 43 Cb 0.87 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2d85 h VAL 43 CO 0.07 0.65 -0.00 -0.07 0.02 0.00 0.00 177.57 178.23 2d85 h LEU 44 N 0.42 -0.01 -0.87 2.57 3.38 -1.09 -3.20 115.31 116.51 2d85 h LEU 44 Ca -0.06 -0.81 0.04 0.00 0.09 0.00 0.00 57.88 57.14 2d85 h LEU 44 Cb 1.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2d85 h LEU 44 CO 0.16 0.84 0.55 0.44 0.09 0.00 0.00 178.44 180.52 2d85 h ASP 45 N -0.90 0.90 -1.00 -0.43 3.32 -1.13 -1.72 116.42 115.47 2d85 h ASP 45 Ca -0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.14 2d85 h ASP 45 Cb 0.82 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 40.10 2d85 h ASP 45 CO 0.00 0.61 0.64 0.25 -1.72 0.00 0.00 179.24 179.02 2d85 h LEU 46 N 1.05 0.97 0.17 1.55 5.85 -1.45 0.12 115.31 123.58 2d85 h LEU 46 Ca 0.36 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2d85 h LEU 46 Cb 0.06 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2d85 h LEU 46 CO -0.13 0.57 -0.08 0.40 -0.34 0.00 0.00 178.44 178.85 2d85 h ILE 47 N 1.07 0.94 -0.26 4.05 2.04 -1.34 -3.28 117.51 120.74 2d85 h ILE 47 Ca 0.46 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2d85 h ILE 47 Cb 0.35 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2d85 h ILE 47 CO -0.22 0.20 -0.06 -0.78 0.00 0.00 0.00 178.15 177.29 2d85 h ASP 48 N -0.72 -0.24 -0.98 1.72 3.58 -1.03 -1.35 116.42 117.40 2d85 h ASP 48 Ca -0.02 0.08 0.31 0.00 0.42 0.00 0.00 57.03 57.81 2d85 h ASP 48 Cb 0.51 0.16 -0.18 0.00 1.72 0.00 0.00 39.33 41.54 2d85 h ASP 48 CO 0.04 -0.08 0.16 0.00 -2.88 0.00 0.00 179.24 176.47 2d85 n ALA 49 N -2.49 0.64 0.01 -0.78 0.00 0.40 -1.75 120.51 116.55 2d85 n ALA 49 Ca -0.01 1.03 -0.02 0.00 0.00 0.00 0.00 53.44 54.44 2d85 n ALA 49 Cb 0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.00 -3.42 0.00 2.04 -1.43 -3.43 117.51 111.28 2d85 h ILE 50 Ca 0.66 -0.73 -0.72 0.00 1.00 0.00 0.00 64.86 65.07 2d85 h ILE 50 Cb 1.49 0.00 -0.31 0.00 -0.74 0.00 0.00 36.82 37.26 2d85 h ILE 50 CO -0.87 0.00 -0.38 -1.58 0.00 0.00 0.00 178.15 175.32 2d85 s GLN 51 N -1.89 2.49 0.41 2.37 2.00 -0.58 -5.08 119.66 119.38 2d85 s GLN 51 Ca -0.02 -1.98 -0.25 0.00 -2.00 0.00 0.00 55.36 51.11 2d85 s GLN 51 Cb 0.00 -3.86 -0.08 0.00 0.80 0.00 0.00 33.01 29.87 2d85 s GLN 51 CO 0.05 -1.18 1.18 -1.25 -0.50 0.00 0.00 175.29 173.60 2d85 s PRO 52 N 0.95 3.99 0.00 1.67 0.04 -0.96 -3.55 135.00 137.14 2d85 s PRO 52 Ca 0.09 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2d85 s PRO 52 Cb -0.23 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2d85 s PRO 52 CO -0.03 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2d85 n GLY 53 N 0.61 2.19 0.34 0.56 0.00 -1.26 -4.94 105.19 102.68 2d85 n GLY 53 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.65 -0.71 -4.09 1.61 0.02 -1.93 -3.44 113.55 105.67 2d85 h SER 54 Ca 0.00 0.02 -0.46 0.00 -0.84 0.00 0.00 61.79 60.52 2d85 h SER 54 Cb 0.00 0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2d85 h SER 54 CO 0.00 -0.46 0.36 -0.63 -1.14 0.00 0.00 176.83 174.96 2d85 s ILE 55 N -4.61 4.12 -0.24 3.27 -1.09 -1.26 -5.06 121.20 116.32 2d85 s ILE 55 Ca -0.12 1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 59.53 2d85 s ILE 55 Cb 0.01 -3.53 0.10 0.00 -1.58 0.00 0.00 42.46 37.46 2d85 s ILE 55 CO 0.37 -0.33 0.21 0.21 -1.23 0.00 0.00 174.94 174.17 2d85 s ASN 56 N -2.22 1.98 0.38 3.58 2.47 -1.26 -5.01 114.94 114.85 2d85 s ASN 56 Ca 0.64 -0.62 0.13 0.00 0.42 0.00 0.00 52.86 53.42 2d85 s ASN 56 Cb -0.13 0.22 0.94 0.00 -1.45 0.00 0.00 41.25 40.83 2d85 s ASN 56 CO 0.19 -0.37 1.86 1.88 -3.72 0.00 0.00 177.10 176.94 2d85 h TYR 57 N 8.33 0.70 -0.96 0.43 -1.99 -1.97 -0.48 116.97 121.04 2d85 h TYR 57 Ca -0.16 0.02 0.26 0.00 2.00 0.00 0.00 58.73 60.84 2d85 h TYR 57 Cb 1.10 -0.22 -0.13 0.00 2.00 0.00 0.00 36.73 39.48 2d85 h TYR 57 CO 0.21 0.22 0.49 0.22 -0.00 0.00 0.00 178.16 179.30 2d85 h ASP 58 N 0.56 0.46 0.42 3.88 3.58 -2.02 -0.06 116.42 123.25 2d85 h ASP 58 Ca 0.47 0.16 -0.31 0.00 0.42 0.00 0.00 57.03 57.77 2d85 h ASP 58 Cb 0.94 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2d85 h ASP 58 CO -0.21 -0.02 -1.62 -0.07 -2.88 0.00 0.00 179.24 174.44 2d85 h LEU 59 N 0.42 0.31 -9.59 2.28 3.38 -1.55 -3.47 115.31 107.09 2d85 h LEU 59 Ca 0.63 -0.49 -0.43 0.00 0.09 0.00 0.00 57.88 57.68 2d85 h LEU 59 Cb 1.28 -0.10 0.22 0.00 0.09 0.00 0.00 40.66 42.15 2d85 h LEU 59 CO -0.54 1.42 -1.04 0.18 0.09 0.00 0.00 178.44 178.54 2d85 n LEU 60 N -3.38 -2.23 -0.03 1.67 4.77 -0.04 -5.00 117.00 112.76 2d85 n LEU 60 Ca -0.18 -0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 55.54 2d85 n LEU 60 Cb 1.04 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2d85 n LEU 60 CO 0.48 -3.10 -0.58 0.29 -1.33 0.00 0.00 177.39 173.15 2d85 n LYS 61 N -2.01 0.23 -2.42 3.23 4.01 -1.26 -4.96 118.16 114.98 2d85 n LYS 61 Ca 0.01 0.10 -0.10 0.00 -0.51 0.00 0.00 58.31 57.81 2d85 n LYS 61 Cb 0.60 -0.89 -0.02 0.00 -0.51 0.00 0.00 35.03 34.21 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 -3.71 0.00 -3.66 -0.18 5.66 -1.26 -4.81 114.28 106.32 2d85 n THR 62 Ca -0.14 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.58 2d85 n THR 62 Cb 0.43 -0.11 -0.16 0.00 -1.55 0.00 0.00 70.33 68.94 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 -3.97 0.40 -1.63 1.09 -1.05 -1.26 -4.87 118.70 107.40 2d85 s GLU 63 Ca 0.19 -0.40 -0.20 0.00 -0.15 0.00 0.00 54.97 54.41 2d85 s GLU 63 Cb -0.11 -1.86 0.20 0.00 -0.44 0.00 0.00 34.13 31.92 2d85 s GLU 63 CO 0.23 -0.75 0.50 0.09 0.95 0.00 0.00 175.26 176.29 2d85 n ASN 64 N 5.13 -1.51 -4.08 0.83 3.02 -1.26 -4.80 115.26 112.59 2d85 n ASN 64 Ca -0.07 -1.09 -0.36 0.00 -0.03 0.00 0.00 54.58 53.03 2d85 n ASN 64 Cb 0.46 -1.39 0.06 0.00 -0.61 0.00 0.00 39.78 38.31 2d85 n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2d85 n LEU 65 N -3.61 -3.75 -3.91 3.41 4.77 -1.26 -5.02 117.00 107.63 2d85 n LEU 65 Ca 0.09 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 2d85 n LEU 65 Cb 0.40 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2d85 n LEU 65 CO 0.84 -4.07 0.07 0.54 -1.33 0.00 0.00 177.39 173.44 2d85 s ASN 66 N -1.23 -0.05 0.56 -1.43 4.22 -1.26 -4.89 114.94 110.86 2d85 s ASN 66 Ca 0.43 -0.78 0.36 0.00 -2.14 0.00 0.00 52.86 50.72 2d85 s ASN 66 Cb -0.07 0.49 1.23 0.00 1.28 0.00 0.00 41.25 44.17 2d85 s ASN 66 CO 0.73 -0.96 1.35 -0.67 -2.04 0.00 0.00 177.10 175.51 2d85 n ASP 67 N -0.26 0.00 -0.03 3.54 -0.08 -1.26 0.52 116.55 118.97 2d85 n ASP 67 Ca -0.07 0.83 -0.00 0.00 -1.51 0.00 0.00 54.79 54.03 2d85 n ASP 67 Cb 0.63 -0.35 -0.00 0.00 2.34 0.00 0.00 41.12 43.74 2d85 n ASP 67 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2d85 h ASP 68 N 0.00 0.00 0.19 1.67 3.58 -2.00 -3.30 116.42 116.57 2d85 h ASP 68 Ca 0.67 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 58.11 2d85 h ASP 68 Cb 3.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 44.22 2d85 h ASP 68 CO -0.01 0.30 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.18 2d85 h GLU 69 N -0.57 -0.33 -0.98 0.28 4.39 -1.27 -2.64 114.58 113.46 2d85 h GLU 69 Ca 0.00 0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.01 2d85 h GLU 69 Cb 0.04 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 28.59 2d85 h GLU 69 CO 0.00 -0.22 0.09 0.87 -1.16 0.00 0.00 179.01 178.59 2d85 h LYS 70 N -0.35 0.02 0.38 2.33 1.57 -0.14 0.22 116.57 120.61 2d85 h LYS 70 Ca -0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2d85 h LYS 70 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2d85 h LYS 70 CO -0.00 0.01 -0.25 1.25 -0.57 0.00 0.00 179.45 179.88 2d85 h LEU 71 N 0.02 -0.65 -1.39 2.94 5.85 -1.55 -1.58 115.31 118.96 2d85 h LEU 71 Ca 0.62 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.65 2d85 h LEU 71 Cb 1.33 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 42.46 2d85 h LEU 71 CO -0.89 -0.40 0.67 0.78 -0.34 0.00 0.00 178.44 178.26 2d85 h ASN 72 N -0.62 0.43 -0.34 1.25 2.35 -0.47 0.27 115.58 118.45 2d85 h ASN 72 Ca -0.04 0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 2d85 h ASN 72 Cb 0.52 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2d85 h ASN 72 CO 0.03 0.09 -0.44 0.78 -1.65 0.00 0.00 177.43 176.24 2d85 h ASN 73 N 0.39 0.99 -0.05 5.81 2.35 -0.71 -2.47 115.58 121.88 2d85 h ASN 73 Ca 0.58 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2d85 h ASN 73 Cb 1.50 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2d85 h ASN 73 CO -0.28 1.28 0.01 0.00 -1.65 0.00 0.00 177.43 176.79 2d85 h ALA 74 N 0.76 0.07 -0.83 -0.83 0.00 0.43 0.10 119.26 118.95 2d85 h ALA 74 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2d85 h ALA 74 Cb 1.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2d85 h ALA 74 CO 0.10 -0.31 0.53 0.87 0.00 0.00 0.00 179.25 180.44 2d85 h LYS 75 N -0.14 0.97 0.08 0.00 1.57 -1.17 -1.79 116.57 116.09 2d85 h LYS 75 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2d85 h LYS 75 Cb 0.24 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2d85 h LYS 75 CO 0.00 0.64 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.56 2d85 h TYR 76 N 0.99 -0.10 -0.14 -1.35 3.20 -1.33 -2.90 116.97 115.34 2d85 h TYR 76 Ca 0.35 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.24 2d85 h TYR 76 Cb 0.08 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 2d85 h TYR 76 CO -0.03 0.33 -0.49 0.00 -1.64 0.00 0.00 178.16 176.33 2d85 h ALA 77 N 0.28 -0.84 -0.92 1.82 0.00 -0.58 -0.72 119.26 118.30 2d85 h ALA 77 Ca -0.01 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.07 2d85 h ALA 77 Cb 0.48 0.98 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 2d85 h ALA 77 CO 0.02 -1.02 0.45 0.82 0.00 0.00 0.00 179.25 179.52 2d85 h ILE 78 N -0.50 0.51 -0.24 0.00 2.04 -1.43 -0.53 117.51 117.36 2d85 h ILE 78 Ca 0.03 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2d85 h ILE 78 Cb 0.60 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 2d85 h ILE 78 CO -0.40 0.09 -0.16 -1.28 0.00 0.00 0.00 178.15 176.39 2d85 h SER 79 N 0.47 -0.52 -0.64 1.72 0.87 -0.93 -1.81 113.55 112.71 2d85 h SER 79 Ca 0.57 0.11 0.12 0.00 -1.23 0.00 0.00 61.79 61.36 2d85 h SER 79 Cb 1.07 0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 63.21 2d85 h SER 79 CO -0.50 -0.20 0.17 0.24 -0.53 0.00 0.00 176.83 176.01 2d85 h MET 80 N -0.15 0.30 -0.83 2.24 2.86 -0.54 -1.12 114.93 117.69 2d85 h MET 80 Ca 0.13 -0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.95 2d85 h MET 80 Cb 0.35 -0.07 -0.15 0.00 0.06 0.00 0.00 31.60 31.80 2d85 h MET 80 CO -0.33 0.20 -0.00 0.00 1.06 0.00 0.00 176.91 177.84 2d85 h ALA 81 N 1.50 0.87 -0.25 6.32 0.00 -1.11 0.18 119.26 126.76 2d85 h ALA 81 Ca 0.34 0.27 -0.15 0.00 0.00 0.00 0.00 54.91 55.38 2d85 h ALA 81 Cb 0.51 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2d85 h ALA 81 CO -0.41 -0.45 -0.41 -0.09 0.00 0.00 0.00 179.25 177.89 2d85 h ARG 82 N 0.08 0.73 -0.42 0.00 9.65 -1.17 -2.24 114.38 121.01 2d85 h ARG 82 Ca 0.46 -0.44 0.07 0.00 -1.10 0.00 0.00 59.98 58.97 2d85 h ARG 82 Cb 0.85 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.41 2d85 h ARG 82 CO -0.75 1.06 0.07 0.87 2.80 0.00 0.00 179.97 184.02 2d85 h LYS 83 N 0.46 0.19 0.00 0.20 6.56 0.10 -0.51 116.57 123.56 2d85 h LYS 83 Ca 0.02 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.54 2d85 h LYS 83 Cb 1.01 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.62 2d85 h LYS 83 CO 0.09 0.12 -0.27 -0.84 -2.06 0.00 0.00 179.45 176.50 2d85 h ILE 84 N 0.19 0.71 0.00 1.86 3.07 -0.87 -3.47 117.51 119.00 2d85 h ILE 84 Ca 0.21 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.46 2d85 h ILE 84 Cb 0.26 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2d85 h ILE 84 CO -0.28 0.26 0.00 0.61 -1.05 0.00 0.00 178.15 177.69 2d85 n GLY 85 N -0.01 1.10 3.15 0.16 0.00 -0.20 -5.11 105.19 104.29 2d85 n GLY 85 Ca -0.00 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.55 -0.89 4.61 0.00 -0.95 -4.92 121.76 116.06 2d85 s ALA 86 Ca 0.00 1.41 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 2d85 s ALA 86 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2d85 s ALA 86 CO 0.00 -1.52 1.63 1.03 0.00 0.00 0.00 175.76 176.90 2d85 s ARG 87 N 2.96 3.08 -0.09 0.00 0.52 -1.26 -3.83 118.95 120.32 2d85 s ARG 87 Ca 0.00 -0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 54.65 2d85 s ARG 87 Cb -0.09 -4.96 -0.04 0.00 0.52 0.00 0.00 34.95 30.38 2d85 s ARG 87 CO -0.12 -2.63 0.14 0.54 0.02 0.00 0.00 175.30 173.25 2d85 s VAL 88 N 7.21 5.39 -0.68 3.52 0.11 -1.26 -4.95 120.40 129.73 2d85 s VAL 88 Ca 0.54 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.73 2d85 s VAL 88 Cb -0.05 -3.38 0.24 0.00 -1.53 0.00 0.00 36.38 31.66 2d85 s VAL 88 CO 0.01 0.55 0.73 0.00 -3.33 0.00 0.00 175.10 173.06 2d85 n TYR 89 N 1.77 3.54 -4.38 1.54 9.36 -1.26 -5.05 117.16 122.68 2d85 n TYR 89 Ca -0.18 -4.13 -0.22 0.00 3.32 0.00 0.00 57.90 56.69 2d85 n TYR 89 Cb 0.54 -0.62 -0.08 0.00 -0.63 0.00 0.00 39.34 38.55 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2d85 s ALA 90 N -2.27 2.33 -0.05 2.98 0.00 -1.26 -4.82 121.76 118.68 2d85 s ALA 90 Ca 0.36 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2d85 s ALA 90 Cb 0.10 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.40 2d85 s ALA 90 CO -0.04 -0.53 -0.15 -1.17 0.00 0.00 0.00 175.76 173.87 2d85 s LEU 91 N -3.48 1.86 0.30 0.00 2.96 -1.26 -5.03 118.68 114.03 2d85 s LEU 91 Ca 0.33 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2d85 s LEU 91 Cb 0.02 -0.91 0.45 0.00 0.50 0.00 0.00 46.19 46.26 2d85 s LEU 91 CO 0.22 0.12 1.68 1.55 -1.32 0.00 0.00 176.35 178.61 2d85 h PRO 92 N 6.41 0.15 -0.88 0.98 0.13 -1.95 -2.74 132.00 134.11 2d85 h PRO 92 Ca -0.32 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 64.79 2d85 h PRO 92 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2d85 h PRO 92 CO 0.48 0.60 0.55 0.93 -0.23 0.00 0.00 178.00 180.32 2d85 h GLU 93 N 0.12 0.98 0.05 0.86 5.08 -1.95 -2.27 114.58 117.46 2d85 h GLU 93 Ca 0.01 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.03 2d85 h GLU 93 Cb 0.89 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.94 2d85 h GLU 93 CO 0.07 0.65 -1.12 -0.44 -1.00 0.00 0.00 179.01 177.16 2d85 h ASP 94 N 1.01 0.83 -0.94 1.42 5.19 -1.95 -3.27 116.42 118.71 2d85 h ASP 94 Ca 0.38 -0.72 0.18 0.00 -0.62 0.00 0.00 57.03 56.25 2d85 h ASP 94 Cb 0.16 -0.26 -0.10 0.00 0.18 0.00 0.00 39.33 39.30 2d85 h ASP 94 CO -0.17 1.52 0.53 0.25 -3.12 0.00 0.00 179.24 178.25 2d85 h LEU 95 N 0.31 0.65 -0.84 1.55 5.85 -1.13 -0.78 115.31 120.93 2d85 h LEU 95 Ca -0.15 0.10 0.21 0.00 0.84 0.00 0.00 57.88 58.88 2d85 h LEU 95 Cb 1.78 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.67 2d85 h LEU 95 CO 0.21 0.23 0.14 0.58 -0.34 0.00 0.00 178.44 179.27 2d85 h VAL 96 N 0.68 0.31 -0.68 1.05 2.07 -1.48 0.51 116.25 118.72 2d85 h VAL 96 Ca 0.53 -0.06 -0.44 0.00 0.82 0.00 0.00 66.70 67.56 2d85 h VAL 96 Cb 0.82 0.14 -0.20 0.00 -1.52 0.00 0.00 31.29 30.52 2d85 h VAL 96 CO -0.39 0.03 0.57 -0.62 0.02 0.00 0.00 177.57 177.18 2d85 n GLU 97 N -5.28 2.08 -3.90 1.57 1.02 -0.32 -4.47 120.64 111.34 2d85 n GLU 97 Ca 0.18 -2.20 -0.27 0.00 -0.02 0.00 0.00 57.16 54.86 2d85 n GLU 97 Cb 0.60 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 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 -0.26 -1.09 -2.78 2.62 0.31 0.18 -4.82 118.33 112.49 2d85 n VAL 98 Ca 0.43 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 2d85 n VAL 98 Cb 0.77 -1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 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 -4.00 6.77 0.00 4.52 0.01 -1.04 -4.90 114.94 116.30 2d85 s ASN 99 Ca 0.11 0.78 0.16 0.00 -0.71 0.00 0.00 52.86 53.20 2d85 s ASN 99 Cb -0.06 -2.48 0.93 0.00 0.41 0.00 0.00 41.25 40.05 2d85 s ASN 99 CO 0.74 -0.80 1.34 -0.81 -1.51 0.00 0.00 177.10 176.07 2d85 n PRO 100 N 6.66 0.48 0.05 -0.60 -0.04 -1.26 -2.63 135.00 137.67 2d85 n PRO 100 Ca 0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 2d85 n PRO 100 Cb 0.48 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.39 0.00 0.54 1.79 -1.97 -3.29 116.57 114.03 2d85 h LYS 101 Ca 0.00 -0.33 -0.30 0.00 -2.18 0.00 0.00 60.65 57.84 2d85 h LYS 101 Cb 0.00 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 2d85 h LYS 101 CO 0.00 0.97 -2.13 -1.33 -1.08 0.00 0.00 179.45 175.89 2d85 n MET 102 N -3.82 0.82 0.22 3.15 2.81 -1.12 -4.38 117.12 114.79 2d85 n MET 102 Ca -0.04 0.07 0.09 0.00 -1.81 0.00 0.00 57.70 56.01 2d85 n MET 102 Cb 0.72 -1.40 0.46 0.00 -0.71 0.00 0.00 33.22 32.28 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 0.00 -0.74 2.03 2.07 -1.65 0.21 116.25 118.17 2d85 h VAL 103 Ca -0.44 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2d85 h VAL 103 Cb 1.79 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2d85 h VAL 103 CO -0.04 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.04 2d85 h MET 104 N 0.00 0.86 0.00 1.57 -0.00 -1.76 -2.76 114.93 112.85 2d85 h MET 104 Ca 0.00 -0.05 -0.35 0.00 -0.00 0.00 0.00 59.70 59.30 2d85 h MET 104 Cb 0.68 -0.19 -0.06 0.00 -0.00 0.00 0.00 31.60 32.03 2d85 h MET 104 CO 0.00 0.57 -2.21 -2.37 -0.00 0.00 0.00 176.91 172.90 2d85 n THR 105 N -4.46 1.47 -0.03 -0.10 5.66 0.04 -3.45 114.28 113.42 2d85 n THR 105 Ca 0.10 -0.81 -0.11 0.00 -3.05 0.00 0.00 64.05 60.18 2d85 n THR 105 Cb 0.14 -0.75 -0.05 0.00 -1.55 0.00 0.00 70.33 68.12 2d85 n THR 105 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2d85 h VAL 106 N 0.00 0.18 0.00 1.08 2.07 -1.31 -1.67 116.25 116.62 2d85 h VAL 106 Ca -0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2d85 h VAL 106 Cb 2.15 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2d85 h VAL 106 CO 0.03 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 177.26 2d85 h PHE 107 N -0.43 0.09 -0.86 1.57 0.04 -1.72 -3.33 116.94 112.31 2d85 h PHE 107 Ca 0.10 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.90 2d85 h PHE 107 Cb 0.59 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.63 2d85 h PHE 107 CO -0.49 0.89 -0.50 0.00 -0.60 0.00 0.00 178.31 177.61 2d85 n ALA 108 N -2.54 -0.52 -0.34 2.45 0.00 -1.16 0.15 120.51 118.55 2d85 n ALA 108 Ca -0.10 0.74 0.16 0.00 0.00 0.00 0.00 53.44 54.24 2d85 n ALA 108 Cb 0.45 -0.14 0.36 0.00 0.00 0.00 0.00 19.45 20.12 2d85 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 n LEU 110 N -4.88 0.08 -0.52 0.00 4.77 0.38 -3.95 117.00 112.89 2d85 n LEU 110 Ca 0.25 0.50 0.43 0.00 -0.03 0.00 0.00 56.01 57.16 2d85 n LEU 110 Cb 0.69 -0.49 0.74 0.00 -2.33 0.00 0.00 43.42 42.04 2d85 n LEU 110 CO 0.17 -0.49 1.36 0.00 -1.33 0.00 0.00 177.39 177.11 2d85 h MET 111 N 0.00 0.04 -1.42 3.23 -0.00 0.68 0.57 114.93 118.02 2d85 h MET 111 Ca 0.00 -0.00 0.49 0.00 -0.00 0.00 0.00 59.70 60.18 2d85 h MET 111 Cb 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 31.60 31.46 2d85 h MET 111 CO 0.00 0.03 0.92 0.41 -0.00 0.00 0.00 176.91 178.27 2d85 n GLY 112 N -1.75 -0.85 0.26 -3.00 0.00 0.19 1.00 105.19 101.04 2d85 n GLY 112 Ca 0.37 0.76 0.01 0.00 0.00 0.00 0.00 46.02 47.15 2d85 n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d85 h LYS 113 N 0.00 0.53 -0.99 1.61 1.57 -1.10 -1.92 116.57 116.27 2d85 h LYS 113 Ca 0.89 -0.03 0.37 0.00 -1.87 0.00 0.00 60.65 60.00 2d85 h LYS 113 Cb 2.91 -0.12 -0.18 0.00 0.08 0.00 0.00 32.23 34.92 2d85 h LYS 113 CO -0.44 0.35 0.42 0.78 -0.57 0.00 0.00 179.45 180.00 2d85 h GLY 114 N 0.55 2.00 -1.31 3.86 0.00 0.43 -3.41 103.07 105.18 2d85 h GLY 114 Ca 0.33 -0.09 -0.33 0.00 0.00 0.00 0.00 47.33 47.25 2d85 h GLY 114 CO -0.27 -0.70 -0.85 1.03 0.00 0.00 0.00 176.54 175.75 2d85 n MET 115 N -5.29 -1.75 0.13 4.80 2.81 -0.72 -4.87 117.12 112.23 2d85 n MET 115 Ca 0.33 -0.51 -0.14 0.00 -1.81 0.00 0.00 57.70 55.57 2d85 n MET 115 Cb 1.12 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 32.07 2d85 n MET 115 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2d85 h LYS 116 N -2.27 -0.62 -6.37 0.03 1.63 -1.87 -3.42 116.57 103.68 2d85 h LYS 116 Ca -0.36 0.04 -0.64 0.00 -0.85 0.00 0.00 60.65 58.85 2d85 h LYS 116 Cb 1.03 0.14 -0.12 0.00 -0.60 0.00 0.00 32.23 32.69 2d85 h LYS 116 CO 0.24 -0.41 -0.67 -0.98 -3.45 0.00 0.00 179.45 174.18 2d85 s ARG 117 N -5.95 2.46 0.59 1.90 1.04 -1.26 -5.12 118.95 112.61 2d85 s ARG 117 Ca -0.16 -0.95 -0.15 0.00 -1.04 0.00 0.00 55.73 53.42 2d85 s ARG 117 Cb 0.07 -2.45 -0.04 0.00 -2.04 0.00 0.00 34.95 30.49 2d85 s ARG 117 CO 0.63 0.51 1.05 0.14 -0.04 0.00 0.00 175.30 177.59 2d85 s VAL 118 N -1.44 3.95 0.77 4.99 -7.23 -1.26 -4.75 120.40 115.42 2d85 s VAL 118 Ca 0.26 0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 61.17 2d85 s VAL 118 Cb -0.11 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.39 2d85 s VAL 118 CO 0.18 -0.57 0.72 -1.20 -0.31 0.00 0.00 175.10 173.92 2d85 n SER 119 N -2.06 -0.58 0.00 4.85 7.64 -1.26 -4.88 113.62 117.33 2d85 n SER 119 Ca 0.08 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2d85 n SER 119 Cb 0.53 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2d85 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d85 n GLY 120 N 1.32 2.73 3.74 0.23 0.00 -1.26 -5.03 105.19 106.92 2d85 n GLY 120 Ca 0.11 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.23 4.39 -0.24 1.61 0.04 -1.26 -5.00 135.00 131.30 2d85 s PRO 121 Ca 0.00 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2d85 s PRO 121 Cb 0.00 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2d85 s PRO 121 CO 0.00 -0.25 0.48 -1.54 0.04 0.00 0.00 177.00 175.72 2d85 s SER 122 N 0.37 6.43 -0.57 6.66 1.04 -1.26 -5.02 113.70 121.36 2d85 s SER 122 Ca 0.57 0.51 -0.27 0.00 0.48 0.00 0.00 55.95 57.23 2d85 s SER 122 Cb -0.36 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2d85 s SER 122 CO 0.38 -0.22 1.57 -0.94 0.98 0.00 0.00 173.24 175.00 2d85 s SER 123 N 1.42 5.87 0.00 7.02 1.04 -1.26 -5.31 113.70 122.48 2d85 s SER 123 Ca 0.20 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2d85 s SER 123 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2d85 s SER 123 CO 0.09 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 173.01