#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 n SER 2 N 0.00 -1.05 -4.88 1.61 2.88 -1.26 -4.93 113.62 105.99 2d85 n SER 2 Ca 0.00 1.13 -0.34 0.00 -1.33 0.00 0.00 58.87 58.33 2d85 n SER 2 Cb 0.00 -0.97 -0.05 0.00 -0.75 0.00 0.00 64.21 62.44 2d85 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d85 s SER 3 N -0.95 6.53 -0.01 -3.46 0.15 -1.26 -5.08 113.70 109.64 2d85 s SER 3 Ca 0.64 0.62 -0.22 0.00 0.70 0.00 0.00 55.95 57.70 2d85 s SER 3 Cb -0.92 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 61.22 2d85 s SER 3 CO 0.56 0.19 0.66 -0.83 1.20 0.00 0.00 173.24 175.02 2d85 s GLY 4 N -1.87 2.65 -0.19 9.45 0.00 -1.26 -5.06 107.32 111.04 2d85 s GLY 4 Ca 0.32 0.11 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 2d85 s GLY 4 CO 0.19 0.93 0.51 -0.56 0.00 0.00 0.00 173.10 174.17 2d85 s SER 5 N 0.08 -0.53 -0.28 1.64 0.01 -1.26 -5.16 113.70 108.19 2d85 s SER 5 Ca 0.34 1.02 -0.20 0.00 1.31 0.00 0.00 55.95 58.43 2d85 s SER 5 Cb -0.19 1.04 0.12 0.00 0.21 0.00 0.00 66.02 67.20 2d85 s SER 5 CO 0.19 -0.18 0.91 -0.55 0.41 0.00 0.00 173.24 174.02 2d85 s SER 6 N 0.28 -0.60 0.00 2.44 0.15 -1.26 -5.03 113.70 109.68 2d85 s SER 6 Ca -0.00 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2d85 s SER 6 Cb -0.04 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 2d85 s SER 6 CO 0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2d85 n GLY 7 N 3.24 3.08 3.05 9.45 0.00 -1.26 -5.12 105.19 117.63 2d85 n GLY 7 Ca -0.16 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 2d85 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d85 n ASN 8 N 0.00 -3.11 0.01 1.61 3.02 -1.26 -4.91 115.26 110.62 2d85 n ASN 8 Ca 0.00 -0.43 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 2d85 n ASN 8 Cb 0.00 -0.80 0.11 0.00 -0.61 0.00 0.00 39.78 38.47 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2d85 n ASP 9 N -1.83 0.66 0.01 6.41 8.00 -1.26 -3.92 116.55 124.62 2d85 n ASP 9 Ca 0.07 -0.43 0.09 0.00 0.71 0.00 0.00 54.79 55.23 2d85 n ASP 9 Cb 0.39 0.55 0.38 0.00 -0.02 0.00 0.00 41.12 42.42 2d85 n ASP 9 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2d85 n ASP 10 N -1.61 0.08 0.24 -2.24 8.00 -1.26 -2.58 116.55 117.18 2d85 n ASP 10 Ca 0.04 0.52 0.16 0.00 0.71 0.00 0.00 54.79 56.22 2d85 n ASP 10 Cb 0.36 -0.53 0.67 0.00 -0.02 0.00 0.00 41.12 41.59 2d85 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2d85 h ILE 11 N 0.00 0.00 -0.62 0.53 2.10 -1.93 -2.93 117.51 114.66 2d85 h ILE 11 Ca 0.00 -0.38 0.13 0.00 1.08 0.00 0.00 64.86 65.69 2d85 h ILE 11 Cb 0.31 1.29 -0.04 0.00 -1.09 0.00 0.00 36.82 37.30 2d85 h ILE 11 CO 0.00 0.00 0.42 0.40 -1.08 0.00 0.00 178.15 177.89 2d85 h ILE 12 N 0.00 0.81 0.00 2.19 2.04 -1.80 0.11 117.51 120.86 2d85 h ILE 12 Ca 0.00 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2d85 h ILE 12 Cb 0.42 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2d85 h ILE 12 CO 0.00 0.05 -0.48 0.58 0.00 0.00 0.00 178.15 178.30 2d85 h VAL 13 N 0.26 1.05 -0.10 1.67 2.07 -1.78 -3.32 116.25 116.09 2d85 h VAL 13 Ca 0.30 -1.95 0.04 0.00 0.82 0.00 0.00 66.70 65.91 2d85 h VAL 13 Cb 0.80 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 2d85 h VAL 13 CO -0.06 0.36 -0.26 -1.13 0.02 0.00 0.00 177.57 176.49 2d85 h ASN 14 N -1.00 -0.79 -0.31 0.57 -0.73 -1.57 -2.10 115.58 109.66 2d85 h ASN 14 Ca -0.12 0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.20 2d85 h ASN 14 Cb 0.91 0.34 -0.04 0.00 0.27 0.00 0.00 38.32 39.80 2d85 h ASN 14 CO -0.07 -0.31 -0.26 -0.25 -0.37 0.00 0.00 177.43 176.17 2d85 h TRP 15 N -0.34 -0.81 -0.49 0.67 7.01 -0.98 0.38 115.95 121.40 2d85 h TRP 15 Ca 0.09 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.22 2d85 h TRP 15 Cb 0.48 0.39 -0.10 0.00 -2.10 0.00 0.00 29.16 27.83 2d85 h TRP 15 CO -0.34 -0.20 -0.41 0.28 -2.79 0.00 0.00 178.44 174.98 2d85 h VAL 16 N -0.10 0.12 0.10 2.65 2.07 -1.62 0.21 116.25 119.68 2d85 h VAL 16 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2d85 h VAL 16 Cb 0.23 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2d85 h VAL 16 CO -0.34 0.00 -0.18 0.78 0.02 0.00 0.00 177.57 177.85 2d85 h ASN 17 N -0.27 -0.51 -0.30 0.57 4.21 -0.60 -1.56 115.58 117.12 2d85 h ASN 17 Ca 0.17 0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.76 2d85 h ASN 17 Cb 0.57 0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 37.89 2d85 h ASN 17 CO -0.62 -0.21 -0.36 -0.33 -1.29 0.00 0.00 177.43 174.62 2d85 h GLU 18 N -0.29 -0.23 -1.33 0.81 4.39 0.03 0.30 114.58 118.27 2d85 h GLU 18 Ca -0.01 0.02 0.44 0.00 0.34 0.00 0.00 59.36 60.15 2d85 h GLU 18 Cb 0.27 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 28.84 2d85 h GLU 18 CO -0.07 -0.15 0.85 1.15 -1.16 0.00 0.00 179.01 179.63 2d85 h THR 19 N -0.24 0.09 0.13 1.13 2.02 -0.54 1.06 112.91 116.57 2d85 h THR 19 Ca 0.05 -0.02 -0.30 0.00 0.77 0.00 0.00 66.41 66.91 2d85 h THR 19 Cb 0.38 0.02 0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2d85 h THR 19 CO -0.40 0.01 -1.27 -0.07 0.37 0.00 0.00 175.52 174.16 2d85 h LEU 20 N 0.07 0.83 -0.14 2.58 3.38 0.47 -3.14 115.31 119.35 2d85 h LEU 20 Ca 0.84 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2d85 h LEU 20 Cb 2.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 43.10 2d85 h LEU 20 CO -0.44 1.59 0.06 -0.09 0.09 0.00 0.00 178.44 179.65 2d85 h ARG 21 N 0.25 0.22 0.00 1.13 9.65 0.43 0.23 114.38 126.28 2d85 h ARG 21 Ca -0.19 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2d85 h ARG 21 Cb 1.94 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 30.48 2d85 h ARG 21 CO 0.24 0.31 -0.01 1.05 2.80 0.00 0.00 179.97 184.36 2d85 h GLU 22 N 0.08 0.00 0.00 0.20 4.11 -0.88 0.25 114.58 118.34 2d85 h GLU 22 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2d85 h GLU 22 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2d85 h GLU 22 CO -0.00 0.01 -0.85 0.00 0.07 0.00 0.00 179.01 178.24 2d85 n ALA 23 N -2.23 4.22 -2.78 1.06 0.00 -0.88 -4.98 120.51 114.92 2d85 n ALA 23 Ca -0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 2d85 n ALA 23 Cb 0.10 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.55 -2.84 -3.15 0.00 1.02 0.22 -5.03 120.64 109.31 2d85 n GLU 24 Ca 0.04 0.32 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 2d85 n GLU 24 Cb 0.34 -3.78 -0.06 0.00 -0.02 0.00 0.00 31.44 27.93 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 -5.15 3.93 -0.08 3.49 3.01 0.54 -4.97 119.74 120.51 2d85 s LYS 25 Ca 0.14 0.56 0.12 0.00 -1.01 0.00 0.00 55.97 55.78 2d85 s LYS 25 Cb -0.06 -2.47 0.49 0.00 -1.01 0.00 0.00 37.83 34.78 2d85 s LYS 25 CO 0.28 0.16 1.34 0.45 0.51 0.00 0.00 175.35 178.09 2d85 n SER 26 N -0.47 3.39 -4.68 2.83 2.88 -1.26 -4.76 113.62 111.54 2d85 n SER 26 Ca 0.03 -2.31 -0.24 0.00 -1.33 0.00 0.00 58.87 55.01 2d85 n SER 26 Cb 0.53 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 2d85 n SER 26 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d85 s SER 27 N -0.75 4.80 -0.18 -3.46 1.04 -1.26 -5.07 113.70 108.82 2d85 s SER 27 Ca 0.34 -0.48 -0.35 0.00 0.48 0.00 0.00 55.95 55.94 2d85 s SER 27 Cb 0.22 -1.01 0.14 0.00 0.10 0.00 0.00 66.02 65.47 2d85 s SER 27 CO 0.16 0.03 1.18 -0.94 0.98 0.00 0.00 173.24 174.65 2d85 s SER 28 N -3.43 -0.15 0.03 7.02 1.04 -1.26 -4.88 113.70 112.08 2d85 s SER 28 Ca 0.30 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.76 2d85 s SER 28 Cb -0.08 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 2d85 s SER 28 CO 0.20 -0.26 -0.09 0.27 0.98 0.00 0.00 173.24 174.34 2d85 s ILE 29 N -2.47 0.67 -0.09 -1.02 -4.36 -1.26 -4.73 121.20 107.94 2d85 s ILE 29 Ca 0.09 -0.88 0.10 0.00 -0.26 0.00 0.00 60.65 59.70 2d85 s ILE 29 Cb -0.01 -0.66 -0.24 0.00 1.25 0.00 0.00 42.46 42.80 2d85 s ILE 29 CO -0.05 -0.18 0.48 -0.24 0.24 0.00 0.00 174.94 175.19 2d85 n SER 30 N 1.88 0.96 -3.67 4.36 2.88 -1.26 -4.91 113.62 113.86 2d85 n SER 30 Ca -0.19 0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 57.63 2d85 n SER 30 Cb 0.55 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 2d85 n SER 30 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d85 s SER 31 N -6.15 -0.10 0.65 -3.46 1.04 -1.26 -4.99 113.70 99.43 2d85 s SER 31 Ca -0.10 -0.26 0.26 0.00 0.48 0.00 0.00 55.95 56.33 2d85 s SER 31 Cb 0.07 0.30 1.38 0.00 0.10 0.00 0.00 66.02 67.88 2d85 s SER 31 CO 0.81 -0.57 1.78 -0.26 0.98 0.00 0.00 173.24 175.98 2d85 h PHE 32 N 2.00 0.00 -0.88 5.02 0.04 -1.98 0.34 116.94 121.48 2d85 h PHE 32 Ca -0.28 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.90 2d85 h PHE 32 Cb 1.21 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 39.05 2d85 h PHE 32 CO 0.41 0.00 0.29 1.63 -0.60 0.00 0.00 178.31 180.04 2d85 n LYS 33 N -2.95 2.87 -2.84 1.51 5.02 -1.26 -4.77 118.16 115.74 2d85 n LYS 33 Ca 0.00 -3.52 -0.40 0.00 -2.02 0.00 0.00 58.31 52.37 2d85 n LYS 33 Cb 0.52 -2.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 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 -2.37 7.51 0.15 4.39 -1.08 0.12 -4.98 116.67 120.42 2d85 s ASP 34 Ca 0.59 1.79 -0.10 0.00 -0.52 0.00 0.00 52.55 54.31 2d85 s ASP 34 Cb 0.47 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 39.35 2d85 s ASP 34 CO 0.01 0.13 1.49 1.55 0.52 0.00 0.00 175.17 178.87 2d85 h PRO 35 N 4.55 0.91 -0.71 4.34 0.13 -1.95 -3.03 132.00 136.24 2d85 h PRO 35 Ca -0.45 -0.48 0.21 0.00 -0.87 0.00 0.00 66.00 64.41 2d85 h PRO 35 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2d85 h PRO 35 CO 0.68 1.13 0.57 0.87 -0.23 0.00 0.00 178.00 181.02 2d85 h LYS 36 N 0.75 0.00 -0.23 0.86 6.56 -1.93 0.26 116.57 122.84 2d85 h LYS 36 Ca 0.06 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.71 2d85 h LYS 36 Cb 0.97 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.62 2d85 h LYS 36 CO 0.09 0.00 0.16 0.82 -2.06 0.00 0.00 179.45 178.47 2d85 h ILE 37 N 0.00 0.90 -0.83 1.86 2.04 -1.86 -1.96 117.51 117.67 2d85 h ILE 37 Ca 0.34 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.34 2d85 h ILE 37 Cb 1.47 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 38.32 2d85 h ILE 37 CO -0.00 0.01 0.40 0.28 0.00 0.00 0.00 178.15 178.83 2d85 h SER 38 N 0.04 0.45 0.87 1.72 0.02 -0.66 0.51 113.55 116.50 2d85 h SER 38 Ca 0.11 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2d85 h SER 38 Cb 0.38 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2d85 h SER 38 CO -0.01 0.18 0.00 0.35 -1.14 0.00 0.00 176.83 176.21 2d85 n THR 39 N -4.91 0.03 -2.03 -2.27 -2.24 -0.74 -4.68 114.28 97.44 2d85 n THR 39 Ca 0.17 0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2d85 n THR 39 Cb 0.44 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.44 -4.02 0.09 3.42 7.64 0.18 -4.82 113.62 114.67 2d85 n SER 40 Ca 0.09 0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 2d85 n SER 40 Cb 0.31 -3.08 -0.08 0.00 -1.01 0.00 0.00 64.21 60.35 2d85 n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2d85 h LEU 41 N 0.00 -0.21 -1.44 -3.43 3.38 -1.77 0.13 115.31 111.97 2d85 h LEU 41 Ca -0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2d85 h LEU 41 Cb 1.12 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2d85 h LEU 41 CO 0.35 0.20 -0.09 1.55 0.09 0.00 0.00 178.44 180.53 2d85 h PRO 42 N -0.66 0.00 0.06 1.13 0.13 -1.85 0.18 132.00 130.98 2d85 h PRO 42 Ca -0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.80 2d85 h PRO 42 Cb 0.48 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 2d85 h PRO 42 CO 0.04 0.09 -1.64 0.28 -0.23 0.00 0.00 178.00 176.55 2d85 h VAL 43 N 0.00 0.98 0.05 1.56 2.07 -1.90 -2.99 116.25 116.02 2d85 h VAL 43 Ca -0.00 -2.73 -0.09 0.00 0.82 0.00 0.00 66.70 64.69 2d85 h VAL 43 Cb 0.56 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2d85 h VAL 43 CO 0.01 0.71 -0.45 -0.07 0.02 0.00 0.00 177.57 177.79 2d85 h LEU 44 N 0.03 0.18 -0.66 2.57 3.38 -0.60 -3.20 115.31 117.01 2d85 h LEU 44 Ca -0.27 -0.94 -0.06 0.00 0.09 0.00 0.00 57.88 56.70 2d85 h LEU 44 Cb 1.99 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 2d85 h LEU 44 CO 0.11 1.20 0.19 0.44 0.09 0.00 0.00 178.44 180.47 2d85 h ASP 45 N -0.75 0.98 -0.61 -0.43 5.19 -1.15 -2.80 116.42 116.85 2d85 h ASP 45 Ca -0.09 -0.22 0.06 0.00 -0.62 0.00 0.00 57.03 56.17 2d85 h ASP 45 Cb 1.28 -0.26 -0.06 0.00 0.18 0.00 0.00 39.33 40.48 2d85 h ASP 45 CO 0.04 0.94 0.31 0.25 -3.12 0.00 0.00 179.24 177.66 2d85 h LEU 46 N 0.97 0.43 0.29 1.55 5.85 -1.66 -1.81 115.31 120.93 2d85 h LEU 46 Ca 0.21 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2d85 h LEU 46 Cb 0.32 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2d85 h LEU 46 CO -0.00 0.28 -0.16 0.40 -0.34 0.00 0.00 178.44 178.61 2d85 h ILE 47 N 0.58 0.66 -0.51 4.05 2.04 -1.50 -2.91 117.51 119.91 2d85 h ILE 47 Ca 0.28 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.25 2d85 h ILE 47 Cb 0.22 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 2d85 h ILE 47 CO -0.20 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 177.12 2d85 h ASP 48 N -0.42 -0.31 -1.31 1.72 1.82 -1.22 0.14 116.42 116.84 2d85 h ASP 48 Ca -0.03 0.13 0.38 0.00 -0.39 0.00 0.00 57.03 57.12 2d85 h ASP 48 Cb 0.34 0.25 -0.06 0.00 0.68 0.00 0.00 39.33 40.54 2d85 h ASP 48 CO 0.04 -0.11 0.92 0.00 -1.61 0.00 0.00 179.24 178.48 2d85 h ALA 49 N 1.48 3.11 0.00 -0.78 0.00 -1.13 0.88 119.26 122.82 2d85 h ALA 49 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2d85 h ALA 49 Cb 0.40 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2d85 h ALA 49 CO -0.47 -1.51 -0.06 0.82 0.00 0.00 0.00 179.25 178.03 2d85 h ILE 50 N 0.06 1.65 -3.37 0.00 1.08 -0.68 -3.44 117.51 112.80 2d85 h ILE 50 Ca 0.65 -1.98 -0.55 0.00 -0.39 0.00 0.00 64.86 62.59 2d85 h ILE 50 Cb 2.44 2.97 -0.39 0.00 -3.07 0.00 0.00 36.82 38.78 2d85 h ILE 50 CO -0.07 0.52 -0.78 -1.10 -0.69 0.00 0.00 178.15 176.03 2d85 s GLN 51 N -2.90 1.18 -0.14 2.37 1.11 0.30 -5.11 119.66 116.47 2d85 s GLN 51 Ca -0.18 -0.55 -0.29 0.00 0.01 0.00 0.00 55.36 54.35 2d85 s GLN 51 Cb -0.01 -2.10 -0.04 0.00 -1.01 0.00 0.00 33.01 29.85 2d85 s GLN 51 CO 0.70 -0.53 1.55 -1.25 0.01 0.00 0.00 175.29 175.78 2d85 s PRO 52 N 1.67 4.05 0.00 2.91 0.04 -1.19 -2.90 135.00 139.58 2d85 s PRO 52 Ca -0.01 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2d85 s PRO 52 Cb -0.16 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2d85 s PRO 52 CO -0.07 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2d85 n GLY 53 N 4.21 0.89 0.49 0.56 0.00 -1.26 -4.99 105.19 105.09 2d85 n GLY 53 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 1.48 -1.18 -3.80 1.61 4.64 -1.88 -3.43 113.55 111.00 2d85 h SER 54 Ca 0.00 0.07 -0.49 0.00 -0.47 0.00 0.00 61.79 60.91 2d85 h SER 54 Cb 0.00 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2d85 h SER 54 CO 0.00 -0.69 0.16 -0.63 -0.87 0.00 0.00 176.83 174.80 2d85 s ILE 55 N -5.96 4.67 -0.21 0.95 -1.09 -1.26 -5.07 121.20 113.23 2d85 s ILE 55 Ca -0.19 0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 59.11 2d85 s ILE 55 Cb 0.04 -3.66 0.08 0.00 -1.58 0.00 0.00 42.46 37.33 2d85 s ILE 55 CO 0.61 -0.37 0.14 0.21 -1.23 0.00 0.00 174.94 174.29 2d85 s ASN 56 N -2.67 2.31 0.43 3.58 2.47 -1.26 -5.01 114.94 114.80 2d85 s ASN 56 Ca 0.54 -0.66 0.14 0.00 0.42 0.00 0.00 52.86 53.30 2d85 s ASN 56 Cb -0.10 -0.07 1.03 0.00 -1.45 0.00 0.00 41.25 40.66 2d85 s ASN 56 CO 0.23 -0.36 1.97 1.88 -3.72 0.00 0.00 177.10 177.10 2d85 h TYR 57 N 8.38 0.44 -0.98 0.43 0.05 -1.98 -1.29 116.97 122.03 2d85 h TYR 57 Ca -0.16 0.01 0.23 0.00 0.05 0.00 0.00 58.73 58.86 2d85 h TYR 57 Cb 1.12 -0.14 -0.12 0.00 1.01 0.00 0.00 36.73 38.59 2d85 h TYR 57 CO 0.18 0.20 0.55 0.22 -1.05 0.00 0.00 178.16 178.27 2d85 h ASP 58 N 0.41 0.61 0.40 3.88 3.58 -2.01 -0.78 116.42 122.51 2d85 h ASP 58 Ca 0.29 0.14 -0.31 0.00 0.42 0.00 0.00 57.03 57.56 2d85 h ASP 58 Cb 0.59 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2d85 h ASP 58 CO -0.08 0.10 -1.64 -0.07 -2.88 0.00 0.00 179.24 174.67 2d85 h LEU 59 N 0.56 0.33-10.07 2.28 3.38 -1.70 -3.47 115.31 106.63 2d85 h LEU 59 Ca 0.62 -0.53 -0.56 0.00 0.09 0.00 0.00 57.88 57.50 2d85 h LEU 59 Cb 1.15 -0.11 0.16 0.00 0.09 0.00 0.00 40.66 41.95 2d85 h LEU 59 CO -0.47 1.45 0.47 0.18 0.09 0.00 0.00 178.44 180.16 2d85 n LEU 60 N -3.39 5.77 -0.07 1.67 4.77 -0.30 -4.98 117.00 120.46 2d85 n LEU 60 Ca -0.19 0.83 -0.06 0.00 -0.03 0.00 0.00 56.01 56.56 2d85 n LEU 60 Cb 1.04 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2d85 n LEU 60 CO 0.48 -1.09 -0.44 0.29 -1.33 0.00 0.00 177.39 175.30 2d85 n LYS 61 N -1.78 0.45 -2.09 3.23 4.01 -1.26 -4.91 118.16 115.80 2d85 n LYS 61 Ca 0.16 0.40 -0.00 0.00 -0.51 0.00 0.00 58.31 58.35 2d85 n LYS 61 Cb 0.48 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 33.46 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 -4.42 -0.02 -3.73 -0.18 5.66 -1.26 -4.84 114.28 105.50 2d85 n THR 62 Ca -0.09 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.63 2d85 n THR 62 Cb 0.33 -0.06 -0.16 0.00 -1.55 0.00 0.00 70.33 68.89 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2d85 s GLU 63 N -4.19 0.64 -1.47 1.09 -1.05 -1.26 -4.84 118.70 107.62 2d85 s GLU 63 Ca 0.00 -0.49 -0.17 0.00 -0.15 0.00 0.00 54.97 54.16 2d85 s GLU 63 Cb 0.00 -2.07 0.16 0.00 -0.44 0.00 0.00 34.13 31.78 2d85 s GLU 63 CO 0.00 -0.69 0.55 0.09 0.95 0.00 0.00 175.26 176.16 2d85 n ASN 64 N 5.04 -2.46 -4.31 0.83 3.02 -1.26 -4.82 115.26 111.30 2d85 n ASN 64 Ca -0.08 -0.79 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 2d85 n ASN 64 Cb 0.46 -2.09 0.04 0.00 -0.61 0.00 0.00 39.78 37.59 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 -3.86 -1.83 -4.22 3.41 4.77 -1.26 -5.01 117.00 109.00 2d85 n LEU 65 Ca 0.07 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.48 2d85 n LEU 65 Cb 0.48 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 2d85 n LEU 65 CO 0.72 -4.16 -0.31 0.54 -1.33 0.00 0.00 177.39 172.86 2d85 s ASN 66 N -1.22 0.87 0.36 -1.43 4.22 -1.26 -4.84 114.94 111.63 2d85 s ASN 66 Ca 0.59 -1.22 0.30 0.00 -2.14 0.00 0.00 52.86 50.38 2d85 s ASN 66 Cb -0.38 0.19 1.17 0.00 1.28 0.00 0.00 41.25 43.52 2d85 s ASN 66 CO 0.65 -0.65 1.14 -0.67 -2.04 0.00 0.00 177.10 175.52 2d85 n ASP 67 N -0.22 0.09 0.02 3.54 2.03 -1.26 0.37 116.55 121.12 2d85 n ASP 67 Ca -0.05 0.89 -0.01 0.00 0.52 0.00 0.00 54.79 56.13 2d85 n ASP 67 Cb 0.64 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 40.59 2d85 n ASP 67 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2d85 h ASP 68 N 0.00 -0.08 0.13 1.67 3.32 -2.00 -3.27 116.42 116.18 2d85 h ASP 68 Ca 0.66 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.73 2d85 h ASP 68 Cb 2.38 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 41.92 2d85 h ASP 68 CO -0.19 0.08 -0.25 -0.33 -1.72 0.00 0.00 179.24 176.82 2d85 h GLU 69 N -0.36 -0.45 -0.89 3.56 5.08 -1.06 -1.97 114.58 118.49 2d85 h GLU 69 Ca -0.01 0.03 0.37 0.00 -1.00 0.00 0.00 59.36 58.75 2d85 h GLU 69 Cb 0.07 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.26 2d85 h GLU 69 CO 0.02 -0.30 0.48 1.63 -1.00 0.00 0.00 179.01 179.84 2d85 n LYS 70 N -5.37 -0.05 0.20 2.33 5.02 0.16 0.40 118.16 120.84 2d85 n LYS 70 Ca -0.07 1.23 -0.14 0.00 -2.02 0.00 0.00 58.31 57.31 2d85 n LYS 70 Cb 0.28 -2.20 -0.08 0.00 -0.02 0.00 0.00 35.03 33.01 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 -0.43 -0.86 -0.35 5.85 -1.41 -2.29 115.31 115.82 2d85 h LEU 71 Ca 0.76 -0.13 0.21 0.00 0.84 0.00 0.00 57.88 59.56 2d85 h LEU 71 Cb 2.00 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 43.02 2d85 h LEU 71 CO -0.68 -0.08 0.32 0.78 -0.34 0.00 0.00 178.44 178.43 2d85 h ASN 72 N -0.82 0.21 -0.14 1.25 2.35 0.07 0.29 115.58 118.78 2d85 h ASN 72 Ca -0.05 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2d85 h ASN 72 Cb 0.53 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 2d85 h ASN 72 CO 0.09 -0.03 0.07 0.78 -1.65 0.00 0.00 177.43 176.68 2d85 h ASN 73 N 0.34 0.19 -0.44 5.81 4.21 -1.24 -0.52 115.58 123.94 2d85 h ASN 73 Ca 0.53 -0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.97 2d85 h ASN 73 Cb 0.99 -0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 38.09 2d85 h ASN 73 CO -0.54 0.26 0.15 0.00 -1.29 0.00 0.00 177.43 176.01 2d85 h ALA 74 N 0.94 0.52 -0.33 -0.83 0.00 -0.41 -0.31 119.26 118.84 2d85 h ALA 74 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2d85 h ALA 74 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2d85 h ALA 74 CO -0.01 -0.24 -0.09 0.87 0.00 0.00 0.00 179.25 179.79 2d85 h LYS 75 N 0.32 0.55 -0.00 0.00 1.57 -1.00 -2.41 116.57 115.60 2d85 h LYS 75 Ca 0.21 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2d85 h LYS 75 Cb 0.20 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2d85 h LYS 75 CO -0.21 0.64 0.00 -0.92 -0.57 0.00 0.00 179.45 178.38 2d85 h TYR 76 N 0.51 0.00 -0.95 -1.35 3.20 -0.13 0.21 116.97 118.46 2d85 h TYR 76 Ca 0.10 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2d85 h TYR 76 Cb 0.46 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 2d85 h TYR 76 CO 0.02 0.27 0.61 0.00 -1.64 0.00 0.00 178.16 177.42 2d85 h ALA 77 N 0.73 1.29 -0.27 1.82 0.00 -0.99 0.15 119.26 121.99 2d85 h ALA 77 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2d85 h ALA 77 Cb 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2d85 h ALA 77 CO 0.00 0.43 -0.26 0.82 0.00 0.00 0.00 179.25 180.25 2d85 h ILE 78 N 1.15 1.31 -0.38 0.00 2.04 -1.33 -2.97 117.51 117.32 2d85 h ILE 78 Ca 0.40 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 2d85 h ILE 78 Cb 0.10 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2d85 h ILE 78 CO -0.15 0.45 0.10 -1.28 0.00 0.00 0.00 178.15 177.27 2d85 h SER 79 N 0.39 0.57 0.17 1.72 0.87 -0.47 -3.19 113.55 113.61 2d85 h SER 79 Ca 0.05 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2d85 h SER 79 Cb 0.82 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 2d85 h SER 79 CO 0.06 0.65 -0.51 0.24 -0.53 0.00 0.00 176.83 176.74 2d85 h MET 80 N 0.47 -0.75 -1.00 2.24 2.86 -0.73 0.64 114.93 118.66 2d85 h MET 80 Ca 0.12 0.05 0.25 0.00 -2.06 0.00 0.00 59.70 58.06 2d85 h MET 80 Cb 0.29 0.17 -0.19 0.00 0.06 0.00 0.00 31.60 31.93 2d85 h MET 80 CO -0.00 -0.50 -0.07 0.00 1.06 0.00 0.00 176.91 177.40 2d85 n ALA 81 N -2.90 0.42 -0.05 6.32 0.00 -1.12 0.12 120.51 123.29 2d85 n ALA 81 Ca -0.09 1.08 -0.12 0.00 0.00 0.00 0.00 53.44 54.31 2d85 n ALA 81 Cb 0.42 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 2d85 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 h ARG 82 N 0.00 0.28 -0.31 0.00 3.08 -1.08 0.64 114.38 116.98 2d85 h ARG 82 Ca 0.56 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.57 2d85 h ARG 82 Cb 1.07 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.03 2d85 h ARG 82 CO -0.97 0.60 -0.18 0.87 -1.07 0.00 0.00 179.97 179.22 2d85 h LYS 83 N -0.05 -0.13 0.00 0.04 6.56 0.20 -1.13 116.57 122.05 2d85 h LYS 83 Ca 0.03 0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.51 2d85 h LYS 83 Cb 0.51 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.18 2d85 h LYS 83 CO 0.02 -0.09 -0.58 -0.84 -2.06 0.00 0.00 179.45 175.90 2d85 h ILE 84 N -0.14 1.31 0.00 1.86 3.07 -0.87 -3.48 117.51 119.27 2d85 h ILE 84 Ca 0.16 -2.07 0.00 0.00 1.55 0.00 0.00 64.86 64.50 2d85 h ILE 84 Cb 0.38 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 2d85 h ILE 84 CO -0.40 0.57 0.00 0.61 -1.05 0.00 0.00 178.15 177.89 2d85 n GLY 85 N 0.35 1.06 3.65 0.16 0.00 0.44 -5.09 105.19 105.74 2d85 n GLY 85 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.48 0.55 4.61 0.00 0.19 -4.88 121.76 119.75 2d85 s ALA 86 Ca 0.00 2.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.82 2d85 s ALA 86 Cb 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 2d85 s ALA 86 CO 0.00 -0.31 1.04 1.03 0.00 0.00 0.00 175.76 177.52 2d85 s ARG 87 N 1.06 3.57 0.00 0.00 0.52 -1.26 -2.54 118.95 120.29 2d85 s ARG 87 Ca -0.07 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 2d85 s ARG 87 Cb -0.03 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.37 2d85 s ARG 87 CO -0.12 -0.61 0.00 1.33 0.02 0.00 0.00 175.30 175.93 2d85 n VAL 88 N -1.61 0.00 -3.96 3.52 0.24 -1.26 -4.70 118.33 110.57 2d85 n VAL 88 Ca 0.09 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.08 2d85 n VAL 88 Cb 0.53 -0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 32.16 2d85 n VAL 88 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2d85 n TYR 89 N -1.86 -0.97 -4.04 6.34 4.02 -1.26 -3.79 117.16 115.61 2d85 n TYR 89 Ca 0.00 0.53 -0.13 0.00 -0.01 0.00 0.00 57.90 58.29 2d85 n TYR 89 Cb 0.39 -1.79 -0.04 0.00 -0.02 0.00 0.00 39.34 37.89 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d85 n ALA 90 N -3.57 -0.07 -2.82 -0.72 0.00 -1.26 -4.83 120.51 107.23 2d85 n ALA 90 Ca -0.04 -1.41 -0.20 0.00 0.00 0.00 0.00 53.44 51.78 2d85 n ALA 90 Cb 0.44 1.14 -0.15 0.00 0.00 0.00 0.00 19.45 20.88 2d85 n ALA 90 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2d85 s LEU 91 N 0.00 1.92 0.06 0.00 2.96 -1.26 -5.05 118.68 117.30 2d85 s LEU 91 Ca 0.26 -0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.79 2d85 s LEU 91 Cb -0.00 -0.57 -0.12 0.00 0.50 0.00 0.00 46.19 46.00 2d85 s LEU 91 CO 0.19 0.10 1.37 1.55 -1.32 0.00 0.00 176.35 178.24 2d85 h PRO 92 N 6.11 0.49 -1.73 0.98 0.13 -1.96 -2.91 132.00 133.10 2d85 h PRO 92 Ca -0.32 -0.26 0.53 0.00 -0.87 0.00 0.00 66.00 65.08 2d85 h PRO 92 Cb 1.17 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2d85 h PRO 92 CO 0.49 0.84 1.21 0.39 -0.23 0.00 0.00 178.00 180.69 2d85 n GLU 93 N -4.44 -0.01 -0.02 0.86 1.02 -1.26 0.15 120.64 116.93 2d85 n GLU 93 Ca -0.05 1.12 -0.17 0.00 -0.02 0.00 0.00 57.16 58.03 2d85 n GLU 93 Cb 0.41 -2.44 -0.14 0.00 -0.02 0.00 0.00 31.44 29.25 2d85 n GLU 93 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2d85 n ASP 94 N -4.16 1.70 -0.34 1.62 9.92 -1.19 -4.19 116.55 119.90 2d85 n ASP 94 Ca 0.42 0.21 0.11 0.00 -0.53 0.00 0.00 54.79 55.01 2d85 n ASP 94 Cb 1.82 -0.53 0.31 0.00 -0.64 0.00 0.00 41.12 42.09 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 0.04 0.80 -1.85 0.64 5.85 0.16 0.14 115.31 121.09 2d85 h LEU 95 Ca -0.41 0.07 0.22 0.00 0.84 0.00 0.00 57.88 58.60 2d85 h LEU 95 Cb 2.03 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.94 2d85 h LEU 95 CO 0.06 0.34 0.57 0.58 -0.34 0.00 0.00 178.44 179.66 2d85 h VAL 96 N 0.81 0.63 -0.91 1.05 2.07 -1.43 0.23 116.25 118.72 2d85 h VAL 96 Ca 0.54 -0.04 -0.55 0.00 0.82 0.00 0.00 66.70 67.46 2d85 h VAL 96 Cb 0.77 0.50 -0.29 0.00 -1.52 0.00 0.00 31.29 30.75 2d85 h VAL 96 CO -0.32 0.02 0.56 -0.62 0.02 0.00 0.00 177.57 177.23 2d85 n GLU 97 N -4.37 2.50 -3.75 1.57 1.02 0.46 -4.61 120.64 113.46 2d85 n GLU 97 Ca 0.17 -3.24 -0.23 0.00 -0.02 0.00 0.00 57.16 53.84 2d85 n GLU 97 Cb 0.80 -2.19 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.01 -0.60 -2.45 2.62 0.31 0.82 -4.79 118.33 113.23 2d85 n VAL 98 Ca 0.57 -0.30 -0.43 0.00 -0.01 0.00 0.00 64.34 64.17 2d85 n VAL 98 Cb 1.11 -0.65 -0.02 0.00 -0.91 0.00 0.00 33.84 33.37 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 -3.77 6.90 0.00 4.52 -0.87 -1.13 -4.89 114.94 115.70 2d85 s ASN 99 Ca 0.08 1.55 0.15 0.00 -1.57 0.00 0.00 52.86 53.08 2d85 s ASN 99 Cb -0.05 -2.54 0.90 0.00 -0.02 0.00 0.00 41.25 39.54 2d85 s ASN 99 CO 0.70 -0.82 1.35 -0.81 -2.57 0.00 0.00 177.10 174.95 2d85 n PRO 100 N 6.73 0.44 0.11 -0.60 -0.04 -1.26 -2.42 135.00 137.96 2d85 n PRO 100 Ca 0.14 0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2d85 n PRO 100 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.98 -3.34 116.57 113.59 2d85 h LYS 101 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 2d85 h LYS 101 Cb 0.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2d85 h LYS 101 CO 0.00 0.59 -2.10 -1.33 -1.08 0.00 0.00 179.45 175.53 2d85 n MET 102 N -3.21 0.47 0.22 3.15 2.81 -1.02 -4.44 117.12 115.11 2d85 n MET 102 Ca 0.00 0.13 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2d85 n MET 102 Cb 0.80 -1.35 0.53 0.00 -0.71 0.00 0.00 33.22 32.49 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 -0.17 0.07 -0.93 2.03 2.07 -1.66 0.17 116.25 117.82 2d85 h VAL 103 Ca -0.45 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2d85 h VAL 103 Cb 1.61 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2d85 h VAL 103 CO -0.13 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.06 2d85 h MET 104 N 0.00 0.82 0.02 1.57 -0.00 -1.78 -2.57 114.93 113.00 2d85 h MET 104 Ca 0.09 -0.05 -0.39 0.00 -0.00 0.00 0.00 59.70 59.36 2d85 h MET 104 Cb 1.39 -0.19 -0.06 0.00 -0.00 0.00 0.00 31.60 32.75 2d85 h MET 104 CO -0.00 0.54 -2.31 0.25 -0.00 0.00 0.00 176.91 175.40 2d85 n THR 105 N -4.57 1.56 -0.35 -0.10 -2.24 0.56 -3.40 114.28 105.73 2d85 n THR 105 Ca 0.17 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 2d85 n THR 105 Cb 0.39 -1.63 -0.00 0.00 -2.10 0.00 0.00 70.33 66.98 2d85 n THR 105 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2d85 h VAL 106 N -0.29 0.02 0.02 2.28 2.07 -1.38 0.37 116.25 119.35 2d85 h VAL 106 Ca -0.56 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2d85 h VAL 106 Cb 1.82 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2d85 h VAL 106 CO -0.14 0.00 -0.01 -0.26 0.02 0.00 0.00 177.57 177.18 2d85 h PHE 107 N -0.04 -0.03 -0.80 1.57 0.04 -1.69 -3.31 116.94 112.68 2d85 h PHE 107 Ca 0.28 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.18 2d85 h PHE 107 Cb 0.55 0.01 -0.14 0.00 2.20 0.00 0.00 35.95 38.57 2d85 h PHE 107 CO -0.87 -0.02 -0.28 0.00 -0.60 0.00 0.00 178.31 176.55 2d85 n ALA 108 N -2.61 -0.01 -0.31 2.45 0.00 -1.14 0.20 120.51 119.08 2d85 n ALA 108 Ca -0.00 0.82 0.11 0.00 0.00 0.00 0.00 53.44 54.37 2d85 n ALA 108 Cb 0.01 -0.41 0.29 0.00 0.00 0.00 0.00 19.45 19.34 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 0.57 -0.65 0.00 0.00 3.38 0.21 -3.06 115.31 115.76 2d85 h LEU 110 Ca 0.54 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2d85 h LEU 110 Cb 0.89 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2d85 h LEU 110 CO -0.43 -0.25 0.00 1.15 0.09 0.00 0.00 178.44 179.00 2d85 n MET 111 N -5.29 0.11 -0.48 1.13 0.00 -0.50 -3.67 117.12 108.43 2d85 n MET 111 Ca -0.10 0.21 0.39 0.00 0.00 0.00 0.00 57.70 58.20 2d85 n MET 111 Cb 0.31 -1.50 0.61 0.00 0.00 0.00 0.00 33.22 32.63 2d85 n MET 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2d85 n GLY 112 N -0.12 -0.80 0.18 3.17 0.00 0.68 0.12 105.19 108.42 2d85 n GLY 112 Ca 0.05 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 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 0.45 -0.59 1.61 1.57 -1.81 -2.72 116.57 115.09 2d85 h LYS 113 Ca 0.69 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.57 2d85 h LYS 113 Cb 3.08 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 35.18 2d85 h LYS 113 CO -0.01 0.30 -0.06 0.78 -0.57 0.00 0.00 179.45 179.89 2d85 h GLY 114 N 0.46 0.54 -1.95 3.86 0.00 0.54 -3.40 103.07 103.12 2d85 h GLY 114 Ca 0.18 0.12 -0.47 0.00 0.00 0.00 0.00 47.33 47.17 2d85 h GLY 114 CO -0.12 -0.20 0.32 -0.29 0.00 0.00 0.00 176.54 176.25 2d85 s MET 115 N -6.18 3.97 -1.17 4.80 -2.45 -1.02 -4.17 119.30 113.07 2d85 s MET 115 Ca -0.14 0.89 -0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2d85 s MET 115 Cb 0.18 -2.19 -0.02 0.00 1.25 0.00 0.00 34.83 34.05 2d85 s MET 115 CO 0.73 -0.18 0.91 1.63 1.05 0.00 0.00 175.02 179.16 2d85 n LYS 116 N -1.35 -4.70 -1.58 4.11 5.02 -1.26 -4.94 118.16 113.47 2d85 n LYS 116 Ca 0.06 0.79 -0.36 0.00 -2.02 0.00 0.00 58.31 56.78 2d85 n LYS 116 Cb 0.54 -5.63 0.08 0.00 -0.02 0.00 0.00 35.03 30.00 2d85 n LYS 116 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d85 s ARG 117 N -5.22 2.31 -0.98 1.97 0.52 -1.26 -4.93 118.95 111.36 2d85 s ARG 117 Ca 0.16 1.94 -0.16 0.00 -0.52 0.00 0.00 55.73 57.15 2d85 s ARG 117 Cb -0.03 -1.83 0.18 0.00 0.52 0.00 0.00 34.95 33.79 2d85 s ARG 117 CO 0.76 -1.75 1.10 0.08 0.02 0.00 0.00 175.30 175.51 2d85 s VAL 118 N -1.66 5.14 0.54 3.52 1.01 -1.26 -5.00 120.40 122.68 2d85 s VAL 118 Ca 0.79 -2.21 0.06 0.00 0.00 0.00 0.00 61.98 60.62 2d85 s VAL 118 Cb -0.34 -4.71 0.04 0.00 0.00 0.00 0.00 36.38 31.37 2d85 s VAL 118 CO 0.42 -1.38 0.44 -0.94 0.00 0.00 0.00 175.10 173.64 2d85 s SER 119 N 2.86 4.70 0.00 3.32 1.04 -1.26 -5.15 113.70 119.21 2d85 s SER 119 Ca 0.31 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2d85 s SER 119 Cb -0.06 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2d85 s SER 119 CO -0.07 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2d85 n GLY 120 N -1.79 6.71 0.01 7.32 0.00 -1.26 -5.00 105.19 111.17 2d85 n GLY 120 Ca 0.01 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.17 2d85 n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d85 n PRO 121 N 0.00 0.01 -4.05 1.61 -0.04 -1.26 -4.72 135.00 126.55 2d85 n PRO 121 Ca 0.00 0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 2d85 n PRO 121 Cb 0.00 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 2d85 n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d85 s SER 122 N -3.07 5.54 0.02 3.54 0.15 -1.26 -5.12 113.70 113.50 2d85 s SER 122 Ca 0.07 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2d85 s SER 122 Cb 0.09 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.90 2d85 s SER 122 CO 0.27 0.16 -0.07 -0.94 1.20 0.00 0.00 173.24 173.85 2d85 s SER 123 N -2.51 0.75 0.00 5.45 1.04 -1.26 -5.03 113.70 112.14 2d85 s SER 123 Ca 0.30 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2d85 s SER 123 Cb -0.12 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2d85 s SER 123 CO 0.22 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.97