#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 -0.35 0.59 1.61 1.04 -1.26 -5.15 113.70 110.18 2d85 s SER 2 Ca 0.00 0.58 -0.18 0.00 0.48 0.00 0.00 55.95 56.83 2d85 s SER 2 Cb 0.00 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2d85 s SER 2 CO 0.00 -0.23 1.15 -0.94 0.98 0.00 0.00 173.24 174.20 2d85 s SER 3 N -0.26 5.39 0.00 7.02 1.04 -1.26 -4.97 113.70 120.66 2d85 s SER 3 Ca -0.04 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2d85 s SER 3 Cb -0.03 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2d85 s SER 3 CO 0.02 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.40 2d85 n GLY 4 N 0.14 -1.51 0.43 7.32 0.00 -1.26 -5.01 105.19 105.31 2d85 n GLY 4 Ca 0.12 0.69 -0.19 0.00 0.00 0.00 0.00 46.02 46.64 2d85 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d85 h SER 5 N 0.00 -0.96 -0.81 1.61 0.02 -2.05 -2.89 113.55 108.47 2d85 h SER 5 Ca 0.00 0.05 -0.54 0.00 -0.84 0.00 0.00 61.79 60.46 2d85 h SER 5 Cb 0.00 0.27 -0.24 0.00 0.14 0.00 0.00 62.40 62.57 2d85 h SER 5 CO 0.00 -0.63 0.70 -1.20 -1.14 0.00 0.00 176.83 174.55 2d85 n SER 6 N -5.54 6.93 -4.29 3.07 7.64 -1.26 -4.80 113.62 115.37 2d85 n SER 6 Ca -0.14 -3.51 -0.43 0.00 1.01 0.00 0.00 58.87 55.80 2d85 n SER 6 Cb 0.43 -0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 2d85 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d85 n GLY 7 N -0.50 4.21 0.28 0.23 0.00 -1.09 -4.84 105.19 103.48 2d85 n GLY 7 Ca 0.51 -2.59 -0.04 0.00 0.00 0.00 0.00 46.02 43.89 2d85 n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d85 h ASN 8 N 6.48 0.72 1.25 1.61 -0.26 -1.88 0.18 115.58 123.68 2d85 h ASN 8 Ca 0.18 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2d85 h ASN 8 Cb 0.85 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2d85 h ASN 8 CO 0.99 0.81 -0.75 0.44 -1.06 0.00 0.00 177.43 177.85 2d85 h ASP 9 N 0.69 0.00 0.34 5.81 3.32 -1.99 -3.35 116.42 121.24 2d85 h ASP 9 Ca 0.13 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.86 2d85 h ASP 9 Cb 0.47 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.05 2d85 h ASP 9 CO 0.02 0.01 -1.44 -0.78 -1.72 0.00 0.00 179.24 175.33 2d85 h ASP 10 N 0.00 0.75 0.30 6.45 3.58 -1.86 -3.22 116.42 122.42 2d85 h ASP 10 Ca -0.00 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.64 2d85 h ASP 10 Cb 1.01 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2d85 h ASP 10 CO 0.00 1.64 0.00 0.00 -2.88 0.00 0.00 179.24 178.00 2d85 n ILE 11 N -3.67 1.24 -0.29 2.25 3.06 0.02 -2.76 119.36 119.21 2d85 n ILE 11 Ca -0.15 0.43 0.21 0.00 -2.50 0.00 0.00 62.75 60.73 2d85 n ILE 11 Cb 1.09 -1.35 0.50 0.00 0.54 0.00 0.00 39.64 40.42 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 0.60 0.10 9.51 2.04 -1.69 0.26 117.51 128.34 2d85 h ILE 12 Ca 0.00 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 2d85 h ILE 12 Cb 0.15 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2d85 h ILE 12 CO 0.00 0.08 -0.76 0.58 0.00 0.00 0.00 178.15 178.05 2d85 h VAL 13 N 0.42 1.46 0.38 1.67 2.07 -1.77 -3.27 116.25 117.21 2d85 h VAL 13 Ca 0.54 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 2d85 h VAL 13 Cb 1.33 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 34.20 2d85 h VAL 13 CO -0.24 0.67 -0.29 -1.13 0.02 0.00 0.00 177.57 176.60 2d85 h ASN 14 N -0.54 -0.76 -0.28 0.57 -0.73 -1.44 -2.25 115.58 110.15 2d85 h ASN 14 Ca -0.15 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.11 2d85 h ASN 14 Cb 1.50 0.24 -0.06 0.00 0.27 0.00 0.00 38.32 40.27 2d85 h ASN 14 CO 0.08 -0.44 -0.38 -0.25 -0.37 0.00 0.00 177.43 176.07 2d85 h TRP 15 N -0.67 -1.16 -0.76 0.67 7.01 -0.69 0.09 115.95 120.44 2d85 h TRP 15 Ca -0.03 0.06 0.16 0.00 2.11 0.00 0.00 58.89 61.18 2d85 h TRP 15 Cb 0.58 0.54 -0.14 0.00 -2.10 0.00 0.00 29.16 28.04 2d85 h TRP 15 CO -0.14 -0.33 -0.16 0.28 -2.79 0.00 0.00 178.44 175.30 2d85 h VAL 16 N -0.27 0.25 0.41 2.65 2.07 -1.59 0.20 116.25 119.97 2d85 h VAL 16 Ca 0.05 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2d85 h VAL 16 Cb 0.40 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2d85 h VAL 16 CO -0.41 0.00 -0.45 0.78 0.02 0.00 0.00 177.57 177.51 2d85 h ASN 17 N 0.01 -1.25 0.28 0.57 2.35 -0.58 -2.20 115.58 114.76 2d85 h ASN 17 Ca 0.37 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 2d85 h ASN 17 Cb 0.59 0.42 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2d85 h ASN 17 CO -0.77 -0.59 -0.43 -0.33 -1.65 0.00 0.00 177.43 173.66 2d85 h GLU 18 N -0.88 -0.74 -1.19 0.81 4.39 0.14 0.04 114.58 117.15 2d85 h GLU 18 Ca -0.04 0.05 0.42 0.00 0.34 0.00 0.00 59.36 60.13 2d85 h GLU 18 Cb 0.79 0.17 -0.15 0.00 -0.10 0.00 0.00 28.75 29.46 2d85 h GLU 18 CO -0.09 -0.49 0.72 1.15 -1.16 0.00 0.00 179.01 179.14 2d85 h THR 19 N -0.77 0.10 0.06 1.13 2.02 -0.57 0.63 112.91 115.52 2d85 h THR 19 Ca -0.01 -0.03 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 2d85 h THR 19 Cb 0.73 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2d85 h THR 19 CO -0.15 0.02 -0.71 -0.07 0.37 0.00 0.00 175.52 174.97 2d85 h LEU 20 N 0.09 0.52 0.69 2.58 3.38 -0.64 -3.16 115.31 118.77 2d85 h LEU 20 Ca 0.82 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2d85 h LEU 20 Cb 2.38 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.97 2d85 h LEU 20 CO -0.55 1.30 -0.33 0.03 0.09 0.00 0.00 178.44 178.98 2d85 h ARG 21 N -0.19 -0.90 -0.55 1.13 2.47 0.20 0.41 114.38 116.94 2d85 h ARG 21 Ca -0.11 0.06 0.16 0.00 -1.26 0.00 0.00 59.98 58.84 2d85 h ARG 21 Cb 1.47 0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.97 2d85 h ARG 21 CO 0.14 -0.58 0.57 1.05 0.56 0.00 0.00 179.97 181.70 2d85 h GLU 22 N -0.99 0.00 0.00 0.04 4.11 -0.59 0.83 114.58 117.99 2d85 h GLU 22 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2d85 h GLU 22 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2d85 h GLU 22 CO 0.16 0.00 -1.20 0.00 0.07 0.00 0.00 179.01 178.04 2d85 n ALA 23 N -2.37 3.13 -2.73 1.06 0.00 -0.88 -4.98 120.51 113.74 2d85 n ALA 23 Ca 0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 2d85 n ALA 23 Cb 0.78 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.16 -2.06 -2.60 0.00 1.02 0.29 -5.04 120.64 110.09 2d85 n GLU 24 Ca 0.00 0.22 -0.27 0.00 -0.02 0.00 0.00 57.16 57.09 2d85 n GLU 24 Cb 0.48 -3.39 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 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 -5.21 3.53 -0.06 3.49 3.01 0.41 -4.99 119.74 119.92 2d85 s LYS 25 Ca 0.13 0.21 0.17 0.00 -1.01 0.00 0.00 55.97 55.47 2d85 s LYS 25 Cb -0.06 -2.36 0.60 0.00 -1.01 0.00 0.00 37.83 34.99 2d85 s LYS 25 CO 0.19 -0.23 1.49 0.43 0.51 0.00 0.00 175.35 177.74 2d85 n SER 26 N -2.29 3.87 -4.60 2.83 7.64 -1.26 -4.77 113.62 115.05 2d85 n SER 26 Ca 0.01 -2.25 -0.30 0.00 1.01 0.00 0.00 58.87 57.33 2d85 n SER 26 Cb 0.55 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 2d85 n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 27 N -0.89 4.55 -0.18 6.43 0.01 -1.26 -5.05 113.70 117.31 2d85 s SER 27 Ca 0.43 -0.29 -0.33 0.00 1.31 0.00 0.00 55.95 57.07 2d85 s SER 27 Cb 0.26 -0.95 0.14 0.00 0.21 0.00 0.00 66.02 65.68 2d85 s SER 27 CO 0.24 0.20 1.17 -0.94 0.41 0.00 0.00 173.24 174.32 2d85 s SER 28 N -2.01 -0.17 0.17 2.44 1.04 -1.26 -4.83 113.70 109.08 2d85 s SER 28 Ca 0.21 0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.76 2d85 s SER 28 Cb -0.11 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2d85 s SER 28 CO 0.13 -0.26 -0.16 0.27 0.98 0.00 0.00 173.24 174.20 2d85 s ILE 29 N -2.21 1.69 -0.17 -1.02 -4.36 -1.26 -4.74 121.20 109.12 2d85 s ILE 29 Ca 0.08 -2.00 0.13 0.00 -0.26 0.00 0.00 60.65 58.60 2d85 s ILE 29 Cb -0.01 -1.86 -0.19 0.00 1.25 0.00 0.00 42.46 41.64 2d85 s ILE 29 CO -0.05 -0.45 0.03 -1.20 0.24 0.00 0.00 174.94 173.51 2d85 n SER 30 N 0.07 1.14 -3.56 4.36 7.64 -1.26 -4.89 113.62 117.12 2d85 n SER 30 Ca -0.12 -0.01 -0.07 0.00 1.01 0.00 0.00 58.87 59.68 2d85 n SER 30 Cb 0.58 0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 64.52 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 -5.12 -0.32 0.56 6.43 0.15 -1.26 -5.00 113.70 109.13 2d85 s SER 31 Ca -0.10 -0.10 0.45 0.00 0.70 0.00 0.00 55.95 56.90 2d85 s SER 31 Cb 0.05 0.41 1.65 0.00 -1.71 0.00 0.00 66.02 66.42 2d85 s SER 31 CO 0.65 -0.69 1.66 -0.26 1.20 0.00 0.00 173.24 175.79 2d85 h PHE 32 N 2.00 0.00 -1.33 3.44 0.04 -1.99 0.79 116.94 119.88 2d85 h PHE 32 Ca -0.23 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 59.83 2d85 h PHE 32 Cb 1.24 0.00 -0.29 0.00 2.20 0.00 0.00 35.95 39.10 2d85 h PHE 32 CO 0.28 0.00 0.91 1.63 -0.60 0.00 0.00 178.31 180.54 2d85 n LYS 33 N -4.00 2.72 -2.64 1.51 4.76 -1.26 -4.78 118.16 114.47 2d85 n LYS 33 Ca 0.36 -3.38 -0.40 0.00 -2.87 0.00 0.00 58.31 52.02 2d85 n LYS 33 Cb 1.70 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 32.56 2d85 n LYS 33 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d85 s ASP 34 N -1.61 7.47 0.07 4.39 -1.08 0.27 -4.97 116.67 121.21 2d85 s ASP 34 Ca 0.60 2.01 -0.17 0.00 -0.52 0.00 0.00 52.55 54.47 2d85 s ASP 34 Cb 0.49 -2.61 -0.11 0.00 -1.46 0.00 0.00 42.92 39.23 2d85 s ASP 34 CO -0.15 -0.02 1.39 1.55 0.52 0.00 0.00 175.17 178.46 2d85 h PRO 35 N 4.55 0.55 -1.10 4.34 0.13 -1.94 -3.08 132.00 135.45 2d85 h PRO 35 Ca -0.45 -0.29 0.32 0.00 -0.87 0.00 0.00 66.00 64.71 2d85 h PRO 35 Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2d85 h PRO 35 CO 0.69 0.88 0.79 0.87 -0.23 0.00 0.00 178.00 181.00 2d85 h LYS 36 N 0.24 0.02 -0.64 0.86 6.56 -1.93 0.36 116.57 122.04 2d85 h LYS 36 Ca 0.04 -0.00 0.15 0.00 -1.06 0.00 0.00 60.65 59.78 2d85 h LYS 36 Cb 0.78 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.40 2d85 h LYS 36 CO 0.06 0.02 0.45 0.82 -2.06 0.00 0.00 179.45 178.73 2d85 h ILE 37 N 0.02 0.76 -0.26 1.86 2.04 -1.88 0.82 117.51 120.87 2d85 h ILE 37 Ca 0.53 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.40 2d85 h ILE 37 Cb 2.07 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2d85 h ILE 37 CO -0.02 0.04 0.34 0.77 0.00 0.00 0.00 178.15 179.28 2d85 h SER 38 N 0.20 0.00 0.02 1.72 4.64 -0.46 0.52 113.55 120.19 2d85 h SER 38 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2d85 h SER 38 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2d85 h SER 38 CO -0.06 0.00 -0.84 0.35 -0.87 0.00 0.00 176.83 175.41 2d85 n THR 39 N -3.58 0.00 -1.98 2.95 -2.24 0.27 -4.74 114.28 104.97 2d85 n THR 39 Ca 0.04 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 2d85 n THR 39 Cb 0.48 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.12 -4.01 0.08 3.42 7.64 0.18 -4.89 113.62 114.92 2d85 n SER 40 Ca 0.05 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 2d85 n SER 40 Cb 0.37 -3.04 -0.08 0.00 -1.01 0.00 0.00 64.21 60.45 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 -0.20 -0.91 -3.43 3.38 -1.79 -0.32 115.31 112.04 2d85 h LEU 41 Ca -0.27 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 2d85 h LEU 41 Cb 1.09 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2d85 h LEU 41 CO 0.34 0.21 -0.46 1.55 0.09 0.00 0.00 178.44 180.17 2d85 h PRO 42 N -0.66 0.18 -0.09 1.13 0.13 -1.85 -0.27 132.00 130.58 2d85 h PRO 42 Ca -0.02 -0.09 -0.18 0.00 -0.87 0.00 0.00 66.00 64.83 2d85 h PRO 42 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 2d85 h PRO 42 CO 0.04 0.61 -0.65 0.28 -0.23 0.00 0.00 178.00 178.05 2d85 h VAL 43 N 0.15 1.34 0.24 1.56 2.07 -1.92 -2.16 116.25 117.54 2d85 h VAL 43 Ca 0.01 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 2d85 h VAL 43 Cb 0.88 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2d85 h VAL 43 CO 0.07 0.59 -0.12 -0.07 0.02 0.00 0.00 177.57 178.06 2d85 h LEU 44 N 0.22 -0.28 -1.28 2.57 3.38 -1.03 -2.98 115.31 115.91 2d85 h LEU 44 Ca -0.06 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 57.91 2d85 h LEU 44 Cb 1.30 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 2d85 h LEU 44 CO 0.13 0.23 0.58 0.44 0.09 0.00 0.00 178.44 179.91 2d85 h ASP 45 N -1.01 0.65 -0.65 -0.43 5.19 -1.19 -0.50 116.42 118.48 2d85 h ASP 45 Ca -0.03 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2d85 h ASP 45 Cb 0.42 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 2d85 h ASP 45 CO 0.06 0.31 0.38 0.25 -3.12 0.00 0.00 179.24 177.12 2d85 h LEU 46 N 0.67 0.79 -0.04 1.55 5.85 -1.45 -0.07 115.31 122.62 2d85 h LEU 46 Ca 0.46 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 2d85 h LEU 46 Cb 0.78 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2d85 h LEU 46 CO -0.22 0.63 0.00 0.40 -0.34 0.00 0.00 178.44 178.91 2d85 h ILE 47 N 0.88 1.24 -0.17 4.05 2.04 -0.96 -3.20 117.51 121.38 2d85 h ILE 47 Ca 0.23 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2d85 h ILE 47 Cb -0.01 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2d85 h ILE 47 CO -0.04 0.19 0.01 -0.78 0.00 0.00 0.00 178.15 177.53 2d85 h ASP 48 N -0.22 -0.04 -0.90 1.72 3.58 -1.17 -2.01 116.42 117.37 2d85 h ASP 48 Ca 0.01 0.03 0.30 0.00 0.42 0.00 0.00 57.03 57.79 2d85 h ASP 48 Cb 0.31 0.06 -0.17 0.00 1.72 0.00 0.00 39.33 41.25 2d85 h ASP 48 CO 0.00 0.00 0.20 0.00 -2.88 0.00 0.00 179.24 176.57 2d85 n ALA 49 N -2.28 0.65 -0.02 -0.78 0.00 -0.05 -0.78 120.51 117.24 2d85 n ALA 49 Ca -0.03 0.95 -0.08 0.00 0.00 0.00 0.00 53.44 54.28 2d85 n ALA 49 Cb 0.09 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 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 0.84 -3.39 0.00 2.04 -1.49 -3.42 117.51 112.08 2d85 h ILE 50 Ca 0.63 -1.48 -0.71 0.00 1.00 0.00 0.00 64.86 64.30 2d85 h ILE 50 Cb 1.48 1.54 -0.31 0.00 -0.74 0.00 0.00 36.82 38.79 2d85 h ILE 50 CO -0.78 0.27 -0.46 -1.10 0.00 0.00 0.00 178.15 176.07 2d85 s GLN 51 N -2.34 2.35 -0.16 2.37 -1.52 0.04 -5.06 119.66 115.34 2d85 s GLN 51 Ca -0.10 -1.72 -0.29 0.00 -1.95 0.00 0.00 55.36 51.30 2d85 s GLN 51 Cb -0.01 -3.77 -0.03 0.00 -0.22 0.00 0.00 33.01 28.97 2d85 s GLN 51 CO 0.37 -1.10 1.57 -1.25 -0.25 0.00 0.00 175.29 174.63 2d85 s PRO 52 N 1.30 3.98 0.00 2.91 0.04 -1.09 -2.96 135.00 139.19 2d85 s PRO 52 Ca 0.06 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2d85 s PRO 52 Cb -0.24 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2d85 s PRO 52 CO -0.01 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2d85 n GLY 53 N 4.33 1.00 0.43 0.56 0.00 -1.26 -4.98 105.19 105.26 2d85 n GLY 53 Ca 0.17 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 2.00 -1.45 -3.48 1.61 4.64 -1.89 -3.40 113.55 111.59 2d85 h SER 54 Ca 0.00 0.18 -0.53 0.00 -0.47 0.00 0.00 61.79 60.96 2d85 h SER 54 Cb 0.00 0.57 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2d85 h SER 54 CO 0.00 -0.47 0.10 -0.63 -0.87 0.00 0.00 176.83 174.96 2d85 s ILE 55 N -5.83 4.53 -0.34 0.95 -1.09 -1.26 -5.05 121.20 113.11 2d85 s ILE 55 Ca -0.16 1.42 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 2d85 s ILE 55 Cb 0.08 -3.97 0.10 0.00 -1.58 0.00 0.00 42.46 37.09 2d85 s ILE 55 CO 0.63 0.40 0.10 0.21 -1.23 0.00 0.00 174.94 175.05 2d85 s ASN 56 N -1.35 4.28 0.30 3.58 2.47 -1.26 -4.99 114.94 117.97 2d85 s ASN 56 Ca 0.37 -1.95 0.06 0.00 0.42 0.00 0.00 52.86 51.76 2d85 s ASN 56 Cb -0.20 -1.18 0.80 0.00 -1.45 0.00 0.00 41.25 39.22 2d85 s ASN 56 CO 0.23 -0.38 1.68 1.88 -3.72 0.00 0.00 177.10 176.78 2d85 h TYR 57 N 7.75 0.67 -0.95 0.43 -1.99 -1.97 0.56 116.97 121.48 2d85 h TYR 57 Ca -0.09 0.04 0.26 0.00 2.00 0.00 0.00 58.73 60.94 2d85 h TYR 57 Cb 1.01 -0.15 -0.17 0.00 2.00 0.00 0.00 36.73 39.41 2d85 h TYR 57 CO 0.41 -0.09 0.04 0.22 -0.00 0.00 0.00 178.16 178.74 2d85 h ASP 58 N 0.37 -0.44 0.79 3.88 3.58 -2.00 0.54 116.42 123.14 2d85 h ASP 58 Ca 0.59 0.26 -0.25 0.00 0.42 0.00 0.00 57.03 58.06 2d85 h ASP 58 Cb 1.19 0.46 -0.02 0.00 1.72 0.00 0.00 39.33 42.68 2d85 h ASP 58 CO -0.56 -0.32 -1.18 -0.07 -2.88 0.00 0.00 179.24 174.23 2d85 h LEU 59 N 0.03 0.18-10.10 2.28 3.38 -1.35 -3.46 115.31 106.28 2d85 h LEU 59 Ca 0.57 -0.21 -0.54 0.00 0.09 0.00 0.00 57.88 57.79 2d85 h LEU 59 Cb 1.15 -0.06 0.13 0.00 0.09 0.00 0.00 40.66 41.97 2d85 h LEU 59 CO -0.87 1.17 0.49 -0.76 0.09 0.00 0.00 178.44 178.56 2d85 s LEU 60 N -6.85 3.64 -0.04 1.67 1.43 0.19 -5.00 118.68 113.72 2d85 s LEU 60 Ca -0.02 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 55.55 2d85 s LEU 60 Cb 0.09 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 2d85 s LEU 60 CO 0.85 -1.73 -0.03 0.11 0.23 0.00 0.00 176.35 175.77 2d85 h LYS 61 N 0.80 0.00 -5.90 1.70 1.79 -1.90 -3.47 116.57 109.60 2d85 h LYS 61 Ca -0.51 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.52 2d85 h LYS 61 Cb 1.31 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.90 2d85 h LYS 61 CO 0.55 0.00 -0.68 0.25 -1.08 0.00 0.00 179.45 178.48 2d85 n THR 62 N -3.05 -1.53 -3.42 -0.16 -2.24 -1.26 -4.94 114.28 97.67 2d85 n THR 62 Ca -0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2d85 n THR 62 Cb 0.05 -2.40 -0.10 0.00 -2.10 0.00 0.00 70.33 65.77 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 -6.37 0.28 -1.47 -0.78 -1.05 -1.26 -4.92 118.70 103.12 2d85 s GLU 63 Ca 0.56 0.19 -0.08 0.00 -0.15 0.00 0.00 54.97 55.49 2d85 s GLU 63 Cb -0.28 -0.84 0.08 0.00 -0.44 0.00 0.00 34.13 32.64 2d85 s GLU 63 CO 0.68 -0.77 0.19 0.27 0.95 0.00 0.00 175.26 176.59 2d85 n ASN 64 N 5.33 -0.05 -4.46 0.83 0.23 -1.26 -4.81 115.26 111.07 2d85 n ASN 64 Ca -0.04 -1.12 -0.34 0.00 -0.53 0.00 0.00 54.58 52.55 2d85 n ASN 64 Cb 0.49 -1.40 0.10 0.00 -2.08 0.00 0.00 39.78 36.88 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 -3.96 0.61 -4.15 -4.53 4.77 -1.26 -5.03 117.00 103.45 2d85 n LEU 65 Ca -0.15 0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 2d85 n LEU 65 Cb 0.54 -1.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 2d85 n LEU 65 CO 0.79 -3.25 -0.14 0.54 -1.33 0.00 0.00 177.39 173.99 2d85 s ASN 66 N -1.76 0.10 0.56 -1.43 4.22 -1.26 -4.86 114.94 110.51 2d85 s ASN 66 Ca 0.62 -1.27 0.42 0.00 -2.14 0.00 0.00 52.86 50.49 2d85 s ASN 66 Cb -0.28 0.42 1.44 0.00 1.28 0.00 0.00 41.25 44.11 2d85 s ASN 66 CO 0.62 -0.90 1.45 -0.67 -2.04 0.00 0.00 177.10 175.55 2d85 n ASP 67 N -0.28 0.00 -0.00 3.54 -0.08 -1.26 0.46 116.55 118.92 2d85 n ASP 67 Ca 0.01 0.90 -0.01 0.00 -1.51 0.00 0.00 54.79 54.18 2d85 n ASP 67 Cb 0.65 -0.41 -0.01 0.00 2.34 0.00 0.00 41.12 43.69 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 -0.06 0.54 1.67 3.58 -2.00 -3.29 116.42 116.86 2d85 h ASP 68 Ca 0.78 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.21 2d85 h ASP 68 Cb 3.45 0.02 0.01 0.00 1.72 0.00 0.00 39.33 44.52 2d85 h ASP 68 CO -0.01 0.28 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.04 2d85 h GLU 69 N -0.71 -0.70 -0.86 0.28 4.39 -1.22 -2.81 114.58 112.95 2d85 h GLU 69 Ca -0.01 0.05 0.36 0.00 0.34 0.00 0.00 59.36 60.10 2d85 h GLU 69 Cb 0.05 0.16 -0.15 0.00 -0.10 0.00 0.00 28.75 28.71 2d85 h GLU 69 CO 0.01 -0.43 0.45 1.63 -1.16 0.00 0.00 179.01 179.51 2d85 n LYS 70 N -5.37 -0.05 0.40 2.33 5.02 0.17 0.43 118.16 121.09 2d85 n LYS 70 Ca -0.12 1.19 -0.18 0.00 -2.02 0.00 0.00 58.31 57.17 2d85 n LYS 70 Cb 0.32 -2.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.11 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 -0.84 -1.45 -0.35 5.85 -1.57 0.14 115.31 117.09 2d85 h LEU 71 Ca 0.73 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.73 2d85 h LEU 71 Cb 1.91 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 43.08 2d85 h LEU 71 CO -0.66 -0.58 0.68 0.78 -0.34 0.00 0.00 178.44 178.31 2d85 h ASN 72 N -1.01 0.39 0.78 1.25 2.35 -0.03 0.50 115.58 119.81 2d85 h ASN 72 Ca -0.10 0.07 -0.21 0.00 -0.55 0.00 0.00 56.30 55.51 2d85 h ASN 72 Cb 0.76 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 2d85 h ASN 72 CO 0.17 0.09 -0.97 0.78 -1.65 0.00 0.00 177.43 175.84 2d85 h ASN 73 N 0.35 0.14 -0.24 5.81 4.21 -1.01 -2.96 115.58 121.88 2d85 h ASN 73 Ca 0.57 -0.14 -0.19 0.00 1.21 0.00 0.00 56.30 57.76 2d85 h ASN 73 Cb 1.54 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.69 2d85 h ASN 73 CO -0.25 1.02 -0.59 0.00 -1.29 0.00 0.00 177.43 176.32 2d85 h ALA 74 N 0.96 0.45 -0.34 -0.83 0.00 0.27 -1.07 119.26 118.70 2d85 h ALA 74 Ca -0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2d85 h ALA 74 Cb 1.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2d85 h ALA 74 CO 0.14 0.68 -0.21 0.87 0.00 0.00 0.00 179.25 180.73 2d85 h LYS 75 N 0.64 0.64 0.03 0.00 1.57 -0.83 -2.40 116.57 116.21 2d85 h LYS 75 Ca 0.00 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2d85 h LYS 75 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2d85 h LYS 75 CO 0.13 0.81 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.88 2d85 h TYR 76 N 0.57 -0.03 0.09 -1.35 3.20 -1.49 -2.83 116.97 115.13 2d85 h TYR 76 Ca 0.08 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2d85 h TYR 76 Cb 0.67 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 2d85 h TYR 76 CO 0.03 0.62 -0.50 0.00 -1.64 0.00 0.00 178.16 176.67 2d85 h ALA 77 N 0.18 -0.90 -0.98 1.82 0.00 -1.20 0.37 119.26 118.54 2d85 h ALA 77 Ca -0.00 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2d85 h ALA 77 Cb 0.66 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 2d85 h ALA 77 CO 0.01 -1.08 0.61 0.82 0.00 0.00 0.00 179.25 179.61 2d85 h ILE 78 N -0.71 0.80 -0.46 0.00 2.04 -1.56 -0.60 117.51 117.03 2d85 h ILE 78 Ca 0.01 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 2d85 h ILE 78 Cb 0.73 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2d85 h ILE 78 CO -0.29 0.15 -0.22 0.28 0.00 0.00 0.00 178.15 178.06 2d85 h SER 79 N 0.80 0.98 -0.01 1.72 0.02 -1.00 -3.24 113.55 112.83 2d85 h SER 79 Ca 0.52 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2d85 h SER 79 Cb 0.75 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2d85 h SER 79 CO -0.29 1.17 -0.40 0.24 -1.14 0.00 0.00 176.83 176.40 2d85 h MET 80 N 0.80 -0.53 -0.97 3.45 2.86 0.13 0.11 114.93 120.78 2d85 h MET 80 Ca 0.10 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 2d85 h MET 80 Cb 0.80 0.12 -0.13 0.00 0.06 0.00 0.00 31.60 32.44 2d85 h MET 80 CO 0.07 -0.35 -0.51 0.00 1.06 0.00 0.00 176.91 177.17 2d85 h ALA 81 N 0.03 -0.28 -0.49 6.32 0.00 -1.52 0.26 119.26 123.58 2d85 h ALA 81 Ca 0.05 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2d85 h ALA 81 Cb 0.64 1.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2d85 h ALA 81 CO -0.32 -0.84 0.24 -0.09 0.00 0.00 0.00 179.25 178.25 2d85 h ARG 82 N -0.02 0.70 -0.35 0.00 1.12 -1.53 0.19 114.38 114.49 2d85 h ARG 82 Ca 0.23 -0.10 0.08 0.00 -1.11 0.00 0.00 59.98 59.07 2d85 h ARG 82 Cb 0.49 -0.13 -0.08 0.00 -0.01 0.00 0.00 29.97 30.24 2d85 h ARG 82 CO -0.94 0.58 -0.17 -0.22 -3.11 0.00 0.00 179.97 176.11 2d85 h LYS 83 N 0.65 -0.10 -0.03 0.20 1.63 0.20 -1.42 116.57 117.69 2d85 h LYS 83 Ca 0.17 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.82 2d85 h LYS 83 Cb 0.11 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2d85 h LYS 83 CO -0.02 -0.07 -0.68 -0.84 -3.45 0.00 0.00 179.45 174.38 2d85 h ILE 84 N -0.11 1.44 0.00 2.00 3.07 -0.56 -3.48 117.51 119.88 2d85 h ILE 84 Ca 0.18 -2.21 0.00 0.00 1.55 0.00 0.00 64.86 64.37 2d85 h ILE 84 Cb 0.38 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2d85 h ILE 84 CO -0.42 0.64 0.00 0.61 -1.05 0.00 0.00 178.15 177.94 2d85 n GLY 85 N 0.44 2.17 3.64 0.16 0.00 0.63 -5.10 105.19 107.13 2d85 n GLY 85 Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 -0.53 4.61 0.00 -1.07 -4.79 121.76 117.88 2d85 s ALA 86 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.67 2d85 s ALA 86 Cb 0.00 0.37 0.14 0.00 0.00 0.00 0.00 23.12 23.63 2d85 s ALA 86 CO 0.00 -1.00 0.30 -0.98 0.00 0.00 0.00 175.76 174.08 2d85 s ARG 87 N -2.61 1.84 -0.07 0.00 3.03 -1.26 -4.44 118.95 115.44 2d85 s ARG 87 Ca 0.13 -2.58 0.03 0.00 2.03 0.00 0.00 55.73 55.35 2d85 s ARG 87 Cb 0.03 -2.99 -0.02 0.00 -1.03 0.00 0.00 34.95 30.94 2d85 s ARG 87 CO -0.03 -1.17 -0.16 0.54 -1.13 0.00 0.00 175.30 173.35 2d85 s VAL 88 N -0.33 2.87 -0.47 4.99 0.11 -1.26 -4.62 120.40 121.69 2d85 s VAL 88 Ca 0.19 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.50 2d85 s VAL 88 Cb -0.20 -2.13 0.15 0.00 -1.53 0.00 0.00 36.38 32.67 2d85 s VAL 88 CO -0.04 0.57 0.31 -0.31 -3.33 0.00 0.00 175.10 172.31 2d85 s TYR 89 N -0.38 1.87 0.21 1.54 1.51 -1.26 -5.04 117.35 115.80 2d85 s TYR 89 Ca 0.04 -2.48 0.00 0.00 -1.01 0.00 0.00 57.07 53.62 2d85 s TYR 89 Cb -0.12 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2d85 s TYR 89 CO 0.02 -0.76 0.26 0.00 -1.11 0.00 0.00 175.55 173.97 2d85 n ALA 90 N 3.09 -0.05 -2.82 3.71 0.00 -1.26 -4.92 120.51 118.26 2d85 n ALA 90 Ca 0.17 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.29 2d85 n ALA 90 Cb 0.39 0.82 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 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 2.04 0.44 0.00 2.96 -1.26 -5.01 118.68 117.84 2d85 s LEU 91 Ca 0.19 -0.48 0.30 0.00 -0.22 0.00 0.00 54.13 53.91 2d85 s LEU 91 Cb -0.00 -1.29 1.25 0.00 0.50 0.00 0.00 46.19 46.64 2d85 s LEU 91 CO 0.13 0.22 1.89 1.55 -1.32 0.00 0.00 176.35 178.82 2d85 h PRO 92 N 6.16 0.00 0.00 0.98 0.13 -1.95 -2.59 132.00 134.73 2d85 h PRO 92 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2d85 h PRO 92 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2d85 h PRO 92 CO 0.47 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.15 2d85 h GLU 93 N 0.00 0.00 0.04 0.86 4.39 -1.95 -3.09 114.58 114.84 2d85 h GLU 93 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2d85 h GLU 93 Cb 0.44 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2d85 h GLU 93 CO 0.00 0.02 -2.11 -0.25 -1.16 0.00 0.00 179.01 175.51 2d85 n ASP 94 N -3.11 1.43 -0.20 1.42 9.92 -0.99 -4.25 116.55 120.77 2d85 n ASP 94 Ca 0.02 0.14 0.03 0.00 -0.53 0.00 0.00 54.79 54.44 2d85 n ASP 94 Cb 0.40 -0.25 0.29 0.00 -0.64 0.00 0.00 41.12 40.92 2d85 n ASP 94 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2d85 h LEU 95 N 0.03 0.79 -2.01 0.64 5.85 -1.52 -1.10 115.31 117.98 2d85 h LEU 95 Ca -0.45 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.37 2d85 h LEU 95 Cb 2.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.86 2d85 h LEU 95 CO 0.03 0.55 0.29 0.58 -0.34 0.00 0.00 178.44 179.56 2d85 h VAL 96 N 0.92 0.77 -0.81 1.05 2.07 -1.71 0.18 116.25 118.71 2d85 h VAL 96 Ca 0.29 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.49 2d85 h VAL 96 Cb 0.01 0.79 -0.19 0.00 -1.52 0.00 0.00 31.29 30.39 2d85 h VAL 96 CO -0.08 0.00 0.38 -0.62 0.02 0.00 0.00 177.57 177.28 2d85 n GLU 97 N -4.37 3.16 -4.05 1.57 1.02 -0.44 -4.71 120.64 112.82 2d85 n GLU 97 Ca 0.07 -3.07 -0.33 0.00 -0.02 0.00 0.00 57.16 53.80 2d85 n GLU 97 Cb 0.48 -2.19 -0.02 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.53 -2.84 -2.95 2.62 0.31 0.61 -4.88 118.33 110.67 2d85 n VAL 98 Ca 0.47 -0.60 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 2d85 n VAL 98 Cb 1.47 -2.36 -0.05 0.00 -0.91 0.00 0.00 33.84 31.99 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 -4.03 6.64 0.00 4.52 0.01 -1.03 -4.91 114.94 116.13 2d85 s ASN 99 Ca 0.20 0.60 0.15 0.00 -0.71 0.00 0.00 52.86 53.10 2d85 s ASN 99 Cb -0.09 -2.40 0.85 0.00 0.41 0.00 0.00 41.25 40.01 2d85 s ASN 99 CO 0.94 -0.63 1.37 -0.81 -1.51 0.00 0.00 177.10 176.46 2d85 n PRO 100 N 6.24 0.36 0.09 -0.60 -0.04 -1.26 -2.33 135.00 137.47 2d85 n PRO 100 Ca 0.03 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2d85 n PRO 100 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.00 0.00 0.54 1.79 -1.97 -3.31 116.57 113.62 2d85 h LYS 101 Ca 0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 2d85 h LYS 101 Cb 0.06 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.65 2d85 h LYS 101 CO 0.00 0.48 -2.43 -1.33 -1.08 0.00 0.00 179.45 175.09 2d85 n MET 102 N -3.12 0.55 0.24 3.15 2.81 -0.98 -4.36 117.12 115.41 2d85 n MET 102 Ca -0.02 0.23 0.09 0.00 -1.81 0.00 0.00 57.70 56.18 2d85 n MET 102 Cb 0.80 -1.42 0.49 0.00 -0.71 0.00 0.00 33.22 32.38 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 -0.80 0.00 -0.39 2.03 2.07 -1.67 0.09 116.25 117.59 2d85 h VAL 103 Ca -0.64 0.00 0.11 0.00 0.82 0.00 0.00 66.70 66.99 2d85 h VAL 103 Cb 1.61 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2d85 h VAL 103 CO -0.36 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.58 2d85 h MET 104 N 0.00 0.00 0.00 1.57 3.00 -1.76 -2.54 114.93 115.20 2d85 h MET 104 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 59.70 59.34 2d85 h MET 104 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 31.60 32.31 2d85 h MET 104 CO 0.00 0.00 -2.02 0.25 0.00 0.00 0.00 176.91 175.14 2d85 n THR 105 N -4.03 1.53 -0.31 -0.10 -2.24 0.02 -3.01 114.28 106.13 2d85 n THR 105 Ca 0.06 -0.23 0.27 0.00 -2.27 0.00 0.00 64.05 61.88 2d85 n THR 105 Cb 0.52 -1.97 0.51 0.00 -2.10 0.00 0.00 70.33 67.29 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 -4.33 -0.41 -0.08 2.28 0.31 -1.08 -0.62 118.33 114.39 2d85 n VAL 106 Ca -0.45 2.00 -0.13 0.00 -0.01 0.00 0.00 64.34 65.75 2d85 n VAL 106 Cb 0.79 -3.17 -0.07 0.00 -0.91 0.00 0.00 33.84 30.48 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 -1.00 3.52 0.04 -1.67 -3.33 116.94 114.51 2d85 h PHE 107 Ca 0.77 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.67 2d85 h PHE 107 Cb 1.96 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.96 2d85 h PHE 107 CO -0.11 0.78 -0.46 0.00 -0.60 0.00 0.00 178.31 177.92 2d85 n ALA 108 N -3.35 -0.31 0.04 2.45 0.00 -0.55 0.19 120.51 118.98 2d85 n ALA 108 Ca -0.18 0.94 0.17 0.00 0.00 0.00 0.00 53.44 54.37 2d85 n ALA 108 Cb 0.45 -0.33 0.66 0.00 0.00 0.00 0.00 19.45 20.22 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 0.05 0.27 -1.95 0.00 3.38 0.20 -3.26 115.31 114.01 2d85 h LEU 110 Ca 0.21 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 58.05 2d85 h LEU 110 Cb 0.76 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2d85 h LEU 110 CO -0.01 1.23 0.42 0.24 0.09 0.00 0.00 178.44 180.41 2d85 h MET 111 N 0.05 0.05 -0.82 1.13 2.86 0.18 -1.93 114.93 116.45 2d85 h MET 111 Ca -0.10 -0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.77 2d85 h MET 111 Cb 1.91 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.52 2d85 h MET 111 CO 0.17 0.03 1.13 0.78 1.06 0.00 0.00 176.91 180.09 2d85 h GLY 112 N 0.05 0.00 0.72 8.32 0.00 -1.58 1.03 103.07 111.62 2d85 h GLY 112 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.47 2d85 h GLY 112 CO -0.02 0.00 -0.53 1.70 0.00 0.00 0.00 176.54 177.69 2d85 h LYS 113 N 0.00 0.37 -0.71 4.80 1.63 -1.62 -3.30 116.57 117.73 2d85 h LYS 113 Ca 0.39 -0.39 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2d85 h LYS 113 Cb 2.65 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 34.36 2d85 h LYS 113 CO -0.00 1.07 0.19 0.78 -3.45 0.00 0.00 179.45 178.03 2d85 h GLY 114 N -0.18 1.20 -3.10 5.01 0.00 0.89 -3.44 103.07 103.46 2d85 h GLY 114 Ca -0.07 -0.73 -0.57 0.00 0.00 0.00 0.00 47.33 45.96 2d85 h GLY 114 CO 0.11 0.68 -0.97 1.03 0.00 0.00 0.00 176.54 177.40 2d85 n MET 115 N -4.24 0.12 -4.42 4.80 2.81 -0.92 -5.00 117.12 110.28 2d85 n MET 115 Ca 0.05 0.06 -0.27 0.00 -1.81 0.00 0.00 57.70 55.74 2d85 n MET 115 Cb 0.25 -1.39 -0.12 0.00 -0.71 0.00 0.00 33.22 31.25 2d85 n MET 115 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2d85 s LYS 116 N -2.08 1.55 0.27 0.03 3.01 -1.26 -5.03 119.74 116.22 2d85 s LYS 116 Ca 0.57 -1.51 0.04 0.00 -1.01 0.00 0.00 55.97 54.06 2d85 s LYS 116 Cb -0.35 -1.86 -0.06 0.00 -1.01 0.00 0.00 37.83 34.55 2d85 s LYS 116 CO 0.66 0.40 0.00 1.03 0.51 0.00 0.00 175.35 177.96 2d85 s ARG 117 N -2.68 1.47 -0.22 1.68 0.52 -1.26 -5.14 118.95 113.32 2d85 s ARG 117 Ca 0.21 -1.77 -0.03 0.00 -0.52 0.00 0.00 55.73 53.62 2d85 s ARG 117 Cb -0.08 -0.79 0.07 0.00 0.52 0.00 0.00 34.95 34.67 2d85 s ARG 117 CO 0.10 -0.10 0.06 0.08 0.02 0.00 0.00 175.30 175.47 2d85 s VAL 118 N -3.31 0.44 -1.59 3.52 1.01 -1.26 -4.85 120.40 114.36 2d85 s VAL 118 Ca 0.31 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 2d85 s VAL 118 Cb 0.06 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.47 2d85 s VAL 118 CO 0.11 -0.35 0.73 -1.20 0.00 0.00 0.00 175.10 174.40 2d85 n SER 119 N 5.07 -2.81 -4.53 3.32 7.64 -1.26 -4.85 113.62 116.20 2d85 n SER 119 Ca -0.07 -0.96 -0.39 0.00 1.01 0.00 0.00 58.87 58.46 2d85 n SER 119 Cb 0.46 -3.09 0.04 0.00 -1.01 0.00 0.00 64.21 60.61 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 -1.61 -1.01 0.27 0.23 0.00 -1.26 -4.87 105.19 96.94 2d85 n GLY 120 Ca -0.04 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.03 2d85 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d85 h PRO 121 N 0.49 0.00 -5.65 1.61 0.13 -2.05 -3.42 132.00 123.11 2d85 h PRO 121 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 2d85 h PRO 121 Cb 1.38 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.40 2d85 h PRO 121 CO 0.49 0.05 0.28 -1.54 -0.23 0.00 0.00 178.00 177.06 2d85 s SER 122 N -5.80 6.59 -0.26 1.44 1.04 -1.26 -5.03 113.70 110.42 2d85 s SER 122 Ca 0.01 0.55 -0.26 0.00 0.48 0.00 0.00 55.95 56.73 2d85 s SER 122 Cb 0.10 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2d85 s SER 122 CO 0.56 -0.55 0.91 -0.55 0.98 0.00 0.00 173.24 174.58 2d85 s SER 123 N 1.63 6.89 0.00 7.02 0.15 -1.26 -5.13 113.70 123.00 2d85 s SER 123 Ca 0.29 1.08 0.30 0.00 0.70 0.00 0.00 55.95 58.32 2d85 s SER 123 Cb -0.14 -2.47 1.80 0.00 -1.71 0.00 0.00 66.02 63.49 2d85 s SER 123 CO 0.12 -0.61 2.13 0.61 1.20 0.00 0.00 173.24 176.69