#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iey s ASN 2 N 0.00 4.63 -0.15 7.83 0.01 -1.26 -0.73 114.94 125.27 3iey s ASN 2 Ca 0.00 -1.37 -0.02 0.00 -0.71 0.00 0.00 52.86 50.76 3iey s ASN 2 Cb 0.00 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 40.02 3iey s ASN 2 CO 0.00 -0.22 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.53 3iey s LEU 3 N 1.16 2.97 -1.17 0.60 1.43 0.02 -4.91 118.68 118.78 3iey s LEU 3 Ca -0.07 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3iey s LEU 3 Cb -0.20 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.43 3iey s LEU 3 CO -0.04 0.14 1.48 -0.13 0.23 0.00 0.00 176.35 178.04 3iey s ARG 4 N 0.51 3.91 -0.07 1.70 0.52 -1.26 -0.27 118.95 124.00 3iey s ARG 4 Ca -0.06 -2.08 -0.13 0.00 -0.52 0.00 0.00 55.73 52.95 3iey s ARG 4 Cb -0.15 -5.23 0.03 0.00 0.52 0.00 0.00 34.95 30.12 3iey s ARG 4 CO 0.03 -1.98 0.32 -1.50 0.02 0.00 0.00 175.30 172.19 3iey s ILE 5 N 3.04 0.03 0.26 1.52 2.07 -1.26 -5.03 121.20 121.83 3iey s ILE 5 Ca 0.45 -0.24 -0.30 0.00 -1.41 0.00 0.00 60.65 59.15 3iey s ILE 5 Cb -0.01 -0.53 -0.14 0.00 0.13 0.00 0.00 42.46 41.91 3iey s ILE 5 CO -0.00 -0.13 1.18 -2.65 -1.91 0.00 0.00 174.94 171.43 3iey n PRO 6 N 2.10 1.62 -0.31 3.50 -0.02 -1.26 -4.57 135.00 136.06 3iey n PRO 6 Ca -0.17 0.57 -0.05 0.00 -2.02 0.00 0.00 63.50 61.83 3iey n PRO 6 Cb 0.57 -2.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.06 3iey n PRO 6 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3iey h TRP 7 N 2.88 1.21 -0.08 6.00 7.01 -1.98 -2.22 115.95 128.78 3iey h TRP 7 Ca -0.43 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 60.54 3iey h TRP 7 Cb 1.32 -0.38 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 3iey h TRP 7 CO 0.51 0.88 0.07 1.57 -2.79 0.00 0.00 178.44 178.68 3iey h LYS 8 N 1.20 0.00 -0.00 2.65 -0.00 -1.95 -1.94 116.57 116.52 3iey h LYS 8 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.94 3iey h LYS 8 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.36 3iey h LYS 8 CO -0.04 0.00 -0.05 0.39 -0.00 0.00 0.00 179.45 179.76 3iey n GLU 9 N -4.22 1.00 -0.66 0.07 1.02 -0.83 -2.91 120.64 114.10 3iey n GLU 9 Ca -0.01 -0.32 0.04 0.00 -0.02 0.00 0.00 57.16 56.85 3iey n GLU 9 Cb 0.17 -1.49 0.20 0.00 -0.02 0.00 0.00 31.44 30.31 3iey n GLU 9 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3iey n VAL 10 N -0.72 2.26 -1.80 2.62 0.24 -0.80 -4.96 118.33 115.16 3iey n VAL 10 Ca 0.19 -3.22 -0.17 0.00 -2.04 0.00 0.00 64.34 59.09 3iey n VAL 10 Cb 0.24 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.29 3iey n VAL 10 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3iey n TYR 11 N -1.11 -0.30 -2.28 6.34 4.01 -1.15 -1.78 117.16 120.90 3iey n TYR 11 Ca 0.21 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.80 3iey n TYR 11 Cb 0.74 -3.16 -0.02 0.00 -0.31 0.00 0.00 39.34 36.59 3iey n TYR 11 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3iey n TYR 12 N -3.04 -1.14 -1.66 -0.72 4.01 -0.80 -4.75 117.16 109.07 3iey n TYR 12 Ca -0.19 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.24 3iey n TYR 12 Cb 0.60 -3.08 0.04 0.00 -0.31 0.00 0.00 39.34 36.59 3iey n TYR 12 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3iey s LEU 13 N -5.47 3.17 0.00 7.72 1.43 -0.73 -4.72 118.68 120.07 3iey s LEU 13 Ca 0.00 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3iey s LEU 13 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 3iey s LEU 13 CO 0.00 -1.29 0.00 0.61 0.23 0.00 0.00 176.35 175.90 3iey n GLY 14 N -2.16 -0.10 3.18 -3.19 0.00 -1.26 -4.82 105.19 96.85 3iey n GLY 14 Ca 0.07 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3iey n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iey s TYR 15 N 0.00 2.51 -0.42 1.61 2.02 0.18 -4.90 117.35 118.35 3iey s TYR 15 Ca 0.00 -1.12 -0.29 0.00 -0.37 0.00 0.00 57.07 55.29 3iey s TYR 15 Cb 0.00 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3iey s TYR 15 CO 0.00 -0.49 1.29 1.21 -1.57 0.00 0.00 175.55 176.00 3iey s ASN 16 N 0.56 6.49 0.00 2.29 2.47 -1.26 -0.94 114.94 124.55 3iey s ASN 16 Ca -0.14 0.75 0.22 0.00 0.42 0.00 0.00 52.86 54.11 3iey s ASN 16 Cb -0.17 -2.54 0.61 0.00 -1.45 0.00 0.00 41.25 37.70 3iey s ASN 16 CO 0.04 -1.32 1.48 0.23 -3.72 0.00 0.00 177.10 173.82 3iey n MET 17 N 7.88 2.03 0.00 0.43 2.81 0.36 -4.98 117.12 125.64 3iey n MET 17 Ca 0.15 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.49 3iey n MET 17 Cb 0.48 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3iey n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iey n GLY 18 N 1.27 1.95 0.03 3.03 0.00 -1.26 -4.59 105.19 105.62 3iey n GLY 18 Ca 0.17 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.67 3iey n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iey n ASN 19 N 3.31 0.54 -3.87 1.61 0.23 -1.26 -4.98 115.26 110.84 3iey n ASN 19 Ca 0.00 0.03 -0.07 0.00 -0.53 0.00 0.00 54.58 54.01 3iey n ASN 19 Cb 0.00 0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 3iey n ASN 19 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 3iey s TYR 20 N -3.08 -0.11 -0.17 -2.53 1.13 -1.26 -4.75 117.35 106.58 3iey s TYR 20 Ca 0.09 -0.33 -0.04 0.00 -1.41 0.00 0.00 57.07 55.39 3iey s TYR 20 Cb 0.16 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.62 3iey s TYR 20 CO 0.68 -1.19 -0.03 0.42 -2.51 0.00 0.00 175.55 172.92 3iey s ILE 21 N -3.93 3.88 -0.44 -3.49 -1.09 0.63 -0.49 121.20 116.27 3iey s ILE 21 Ca 0.13 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 58.00 3iey s ILE 21 Cb -0.05 -2.72 0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3iey s ILE 21 CO 0.07 0.48 0.55 -0.75 -1.23 0.00 0.00 174.94 174.05 3iey s LYS 22 N 0.55 3.17 -0.02 2.79 2.20 -0.12 -0.80 119.74 127.52 3iey s LYS 22 Ca -0.02 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 3iey s LYS 22 Cb -0.14 -3.98 -0.01 0.00 -1.51 0.00 0.00 37.83 32.19 3iey s LYS 22 CO 0.02 -0.98 -0.13 -1.50 -0.36 0.00 0.00 175.35 172.41 3iey s ILE 23 N 2.49 1.08 0.64 5.43 2.07 0.09 -0.65 121.20 132.35 3iey s ILE 23 Ca 0.17 -0.56 -0.11 0.00 -1.41 0.00 0.00 60.65 58.73 3iey s ILE 23 Cb -0.16 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 3iey s ILE 23 CO 0.16 0.31 1.04 -0.94 -1.91 0.00 0.00 174.94 173.59 3iey s SER 24 N -0.18 6.06 0.15 4.50 1.04 -1.26 0.02 113.70 124.02 3iey s SER 24 Ca 0.02 1.43 -0.17 0.00 0.48 0.00 0.00 55.95 57.71 3iey s SER 24 Cb -0.07 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 3iey s SER 24 CO 0.00 -0.98 1.81 -0.33 0.98 0.00 0.00 173.24 174.72 3iey h GLU 25 N -0.40 0.47 -0.32 4.02 3.07 -1.97 -0.26 114.58 119.20 3iey h GLU 25 Ca -0.44 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.35 3iey h GLU 25 Cb 1.20 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 3iey h GLU 25 CO 0.61 0.31 0.02 -1.00 -1.40 0.00 0.00 179.01 177.55 3iey h PRO 26 N 0.48 0.48 -0.44 2.33 0.13 -1.88 0.23 132.00 133.33 3iey h PRO 26 Ca 0.13 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 3iey h PRO 26 Cb -0.06 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 3iey h PRO 26 CO -0.03 0.49 -0.09 0.93 -0.23 0.00 0.00 178.00 179.07 3iey h GLU 27 N 0.46 0.85 -0.24 0.86 5.08 -1.87 -3.20 114.58 116.52 3iey h GLU 27 Ca 0.10 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 3iey h GLU 27 Cb 0.28 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3iey h GLU 27 CO 0.01 0.95 -0.20 1.25 -1.00 0.00 0.00 179.01 180.01 3iey h LEU 28 N 0.68 0.43 -0.81 1.33 6.46 -0.57 -2.53 115.31 120.29 3iey h LEU 28 Ca 0.11 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3iey h LEU 28 Cb 0.63 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 3iey h LEU 28 CO 0.04 0.64 0.52 0.25 -0.62 0.00 0.00 178.44 179.27 3iey h LEU 29 N 0.39 0.84 -0.03 2.25 6.46 -0.97 0.35 115.31 124.60 3iey h LEU 29 Ca 0.07 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3iey h LEU 29 Cb 0.58 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3iey h LEU 29 CO 0.04 0.57 0.02 0.15 -0.62 0.00 0.00 178.44 178.60 3iey h PHE 30 N 0.99 0.04 -0.76 1.25 3.57 -1.46 -1.87 116.94 118.70 3iey h PHE 30 Ca 0.33 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3iey h PHE 30 Cb 0.05 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3iey h PHE 30 CO -0.03 0.12 0.26 -0.24 -2.23 0.00 0.00 178.31 176.19 3iey h VAL 31 N -0.04 1.26 -0.31 1.41 3.04 -1.23 -1.88 116.25 118.50 3iey h VAL 31 Ca 0.01 -0.88 -0.04 0.00 -1.01 0.00 0.00 66.70 64.79 3iey h VAL 31 Cb 0.09 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 3iey h VAL 31 CO -0.00 0.35 0.03 -0.07 -1.01 0.00 0.00 177.57 176.87 3iey h LEU 32 N 1.12 0.42 0.01 3.16 3.38 -0.85 0.34 115.31 122.89 3iey h LEU 32 Ca 0.25 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 3iey h LEU 32 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3iey h LEU 32 CO -0.01 0.47 -1.07 0.03 0.09 0.00 0.00 178.44 177.94 3iey h ARG 33 N 0.45 0.02 0.00 1.13 3.08 -1.08 -3.28 114.38 114.69 3iey h ARG 33 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3iey h ARG 33 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3iey h ARG 33 CO 0.00 0.97 -1.76 0.09 -1.07 0.00 0.00 179.97 178.21 3iey n ASN 34 N -3.34 0.91 -3.50 7.04 4.13 -0.73 -4.58 115.26 115.18 3iey n ASN 34 Ca -0.02 -0.05 -0.27 0.00 1.68 0.00 0.00 54.58 55.92 3iey n ASN 34 Cb 0.95 1.77 -0.09 0.00 -1.54 0.00 0.00 39.78 40.88 3iey n ASN 34 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3iey n LYS 35 N -2.08 1.93 0.31 3.52 5.02 0.12 -4.98 118.16 122.00 3iey n LYS 35 Ca -0.03 -4.31 0.21 0.00 -2.02 0.00 0.00 58.31 52.16 3iey n LYS 35 Cb 0.45 -2.07 1.06 0.00 -0.02 0.00 0.00 35.03 34.46 3iey n LYS 35 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3iey h PRO 36 N 4.53 0.00 -0.32 1.97 0.11 -1.75 -1.57 132.00 134.97 3iey h PRO 36 Ca 0.17 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.38 3iey h PRO 36 Cb 0.73 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3iey h PRO 36 CO 0.72 0.00 0.23 1.96 -0.21 0.00 0.00 178.00 180.70 3iey h GLN 37 N 0.00 0.00 -0.12 1.05 7.50 -1.93 -2.24 115.11 119.37 3iey h GLN 37 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 3iey h GLN 37 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 3iey h GLN 37 CO 0.00 0.00 -0.11 0.82 -1.50 0.00 0.00 178.83 178.04 3iey h ILE 38 N 0.00 1.15 0.11 2.54 1.08 -1.63 -2.61 117.51 118.15 3iey h ILE 38 Ca 0.15 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 3iey h ILE 38 Cb 0.62 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.50 3iey h ILE 38 CO -0.00 0.21 -0.43 0.11 -0.69 0.00 0.00 178.15 177.35 3iey h LYS 39 N 0.18 -0.63 -0.07 2.37 1.57 -1.59 0.12 116.57 118.52 3iey h LYS 39 Ca 0.04 0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 3iey h LYS 39 Cb 0.32 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3iey h LYS 39 CO 0.02 -0.42 -0.73 -0.44 -0.57 0.00 0.00 179.45 177.30 3iey h ASP 40 N -0.65 0.44 -0.15 0.86 5.19 -1.73 0.41 116.42 120.78 3iey h ASP 40 Ca 0.02 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3iey h ASP 40 Cb 0.69 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 3iey h ASP 40 CO -0.26 1.02 0.08 -0.09 -3.12 0.00 0.00 179.24 176.88 3iey h ARG 41 N 0.25 0.22 -0.02 3.56 2.43 -1.22 -3.26 114.38 116.33 3iey h ARG 41 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3iey h ARG 41 Cb 1.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3iey h ARG 41 CO 0.12 0.24 -0.07 1.28 -1.51 0.00 0.00 179.97 180.04 3iey n LEU 42 N -4.92 2.21 -3.28 3.80 4.32 0.38 -5.03 117.00 114.48 3iey n LEU 42 Ca -0.04 -0.95 -0.14 0.00 -0.02 0.00 0.00 56.01 54.86 3iey n LEU 42 Cb 0.08 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.93 3iey n LEU 42 CO 0.34 0.40 0.09 1.17 -1.22 0.00 0.00 177.39 178.17 3iey n LYS 43 N 0.71 -1.80 -4.33 3.23 4.81 0.13 -5.03 118.16 115.88 3iey n LYS 43 Ca 0.09 0.98 -0.24 0.00 -0.87 0.00 0.00 58.31 58.27 3iey n LYS 43 Cb 0.39 -5.43 -0.13 0.00 0.02 0.00 0.00 35.03 29.89 3iey n LYS 43 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3iey s LEU 44 N -5.15 2.27 -0.10 3.14 1.02 -0.64 -5.03 118.68 114.19 3iey s LEU 44 Ca 0.32 -0.65 0.01 0.00 0.02 0.00 0.00 54.13 53.83 3iey s LEU 44 Cb -0.06 -0.85 -0.02 0.00 0.02 0.00 0.00 46.19 45.28 3iey s LEU 44 CO 0.77 0.06 -0.13 -0.62 0.02 0.00 0.00 176.35 176.45 3iey s ASP 45 N -1.76 4.07 0.12 2.29 2.15 -1.26 -4.67 116.67 117.60 3iey s ASP 45 Ca 0.06 -0.26 -0.19 0.00 0.43 0.00 0.00 52.55 52.59 3iey s ASP 45 Cb -0.10 -1.30 -0.07 0.00 -0.30 0.00 0.00 42.92 41.16 3iey s ASP 45 CO 0.04 0.25 1.75 -0.08 -0.17 0.00 0.00 175.17 176.95 3iey h GLU 46 N 6.10 0.30 -0.21 4.34 4.81 -2.00 -2.60 114.58 125.32 3iey h GLU 46 Ca -0.35 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.74 3iey h GLU 46 Cb 1.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3iey h GLU 46 CO 0.54 0.24 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.47 3iey h LYS 47 N 0.27 0.46 -0.50 1.92 3.64 -2.00 -2.52 116.57 117.86 3iey h LYS 47 Ca 0.08 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 3iey h LYS 47 Cb 0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3iey h LYS 47 CO -0.02 0.76 -0.09 1.15 -2.27 0.00 0.00 179.45 178.99 3iey h THR 48 N 0.39 1.27 -0.14 1.00 2.02 -1.98 -1.93 112.91 113.55 3iey h THR 48 Ca 0.04 -1.22 -0.14 0.00 0.77 0.00 0.00 66.41 65.85 3iey h THR 48 Cb 0.82 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3iey h THR 48 CO 0.07 0.43 -0.53 0.40 0.37 0.00 0.00 175.52 176.26 3iey h ILE 49 N 0.80 1.34 -0.29 3.11 2.04 -1.33 -1.41 117.51 121.77 3iey h ILE 49 Ca 0.13 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 3iey h ILE 49 Cb 0.64 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3iey h ILE 49 CO 0.04 0.54 0.13 0.40 0.00 0.00 0.00 178.15 179.27 3iey h ILE 50 N 0.31 1.16 -0.27 -0.67 2.04 -1.37 -0.62 117.51 118.10 3iey h ILE 50 Ca 0.01 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.42 3iey h ILE 50 Cb 1.03 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3iey h ILE 50 CO 0.09 0.17 0.10 0.50 0.00 0.00 0.00 178.15 179.01 3iey h LYS 51 N 0.33 0.22 -0.42 2.37 3.64 -1.01 -0.11 116.57 121.60 3iey h LYS 51 Ca 0.10 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3iey h LYS 51 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3iey h LYS 51 CO -0.01 0.15 -0.14 0.93 -2.27 0.00 0.00 179.45 178.10 3iey h GLU 52 N 0.23 0.77 -0.18 1.90 4.39 -1.25 -3.19 114.58 117.24 3iey h GLU 52 Ca 0.12 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 3iey h GLU 52 Cb 0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3iey h GLU 52 CO -0.11 0.87 0.03 0.78 -1.16 0.00 0.00 179.01 179.42 3iey h GLY 53 N 0.97 0.31 2.00 -3.84 0.00 -0.60 -2.59 103.07 99.33 3iey h GLY 53 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3iey h GLY 53 CO 0.04 0.19 0.00 -0.39 0.00 0.00 0.00 176.54 176.38 3iey h VAL 54 N 0.08 0.00 0.00 4.60 -1.51 -1.06 0.16 116.25 118.52 3iey h VAL 54 Ca 0.05 -0.43 -0.03 0.00 -1.23 0.00 0.00 66.70 65.07 3iey h VAL 54 Cb 0.30 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 3iey h VAL 54 CO 0.00 0.00 -1.10 2.29 -1.23 0.00 0.00 177.57 177.53 3iey n LYS 55 N -2.75 0.61 0.05 5.19 2.85 -1.21 -4.26 118.16 118.65 3iey n LYS 55 Ca 0.01 0.13 -0.21 0.00 -1.05 0.00 0.00 58.31 57.19 3iey n LYS 55 Cb 0.29 -1.82 -0.15 0.00 -0.65 0.00 0.00 35.03 32.71 3iey n LYS 55 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3iey h LYS 56 N 0.00 0.32 -5.83 -1.58 3.64 -0.97 -3.48 116.57 108.67 3iey h LYS 56 Ca -0.03 -0.55 -0.50 0.00 -1.27 0.00 0.00 60.65 58.30 3iey h LYS 56 Cb 1.10 0.21 -0.22 0.00 -0.41 0.00 0.00 32.23 32.91 3iey h LYS 56 CO 0.01 1.27 -0.81 0.71 -2.27 0.00 0.00 179.45 178.36 3iey s TYR 57 N -2.47 1.56 -2.58 1.91 2.02 -0.02 -5.08 117.35 112.69 3iey s TYR 57 Ca -0.15 -0.44 0.23 0.00 -0.37 0.00 0.00 57.07 56.35 3iey s TYR 57 Cb 0.02 -0.86 0.37 0.00 -0.40 0.00 0.00 41.96 41.09 3iey s TYR 57 CO 0.83 0.15 1.37 1.17 -1.57 0.00 0.00 175.55 177.49 3iey n LYS 58 N 1.15 2.47 0.00 -0.62 3.00 -1.26 -3.50 118.16 119.39 3iey n LYS 58 Ca -0.20 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 55.90 3iey n LYS 58 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.07 3iey n LYS 58 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3iey n ASN 59 N 1.46 0.00 0.05 3.14 2.85 -1.26 -4.96 115.26 116.55 3iey n ASN 59 Ca 0.18 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.54 3iey n ASN 59 Cb 0.61 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.58 3iey n ASN 59 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3iey h PHE 60 N 0.00 -0.28 -0.45 1.20 3.57 -1.86 -1.48 116.94 117.63 3iey h PHE 60 Ca 0.00 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 3iey h PHE 60 Cb 0.00 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3iey h PHE 60 CO 0.00 -0.17 0.01 -1.49 -2.23 0.00 0.00 178.31 174.43 3iey h TRP 61 N -0.19 0.78 -0.35 0.41 4.06 -1.92 -0.57 115.95 118.17 3iey h TRP 61 Ca 0.04 -0.10 -0.13 0.00 2.06 0.00 0.00 58.89 60.76 3iey h TRP 61 Cb 0.24 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3iey h TRP 61 CO -0.17 0.73 -0.30 0.93 -3.56 0.00 0.00 178.44 176.06 3iey h GLU 62 N 0.70 0.75 0.15 0.49 3.07 -1.86 0.19 114.58 118.07 3iey h GLU 62 Ca 0.14 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 3iey h GLU 62 Cb 0.42 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3iey h GLU 62 CO 0.02 0.96 -0.07 0.82 -1.40 0.00 0.00 179.01 179.33 3iey h ILE 63 N 0.64 0.96 -0.11 3.13 2.04 -1.02 -1.54 117.51 121.61 3iey h ILE 63 Ca 0.07 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3iey h ILE 63 Cb 0.83 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 3iey h ILE 63 CO 0.07 0.11 -0.43 0.22 0.00 0.00 0.00 178.15 178.12 3iey h TYR 64 N -0.41 -1.22 -0.64 1.37 3.20 -0.93 0.11 116.97 118.46 3iey h TYR 64 Ca -0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3iey h TYR 64 Cb 0.33 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 3iey h TYR 64 CO -0.00 -0.48 0.36 1.88 -1.64 0.00 0.00 178.16 178.28 3iey h TYR 65 N -0.51 0.85 -0.13 -3.82 0.05 -0.65 0.28 116.97 113.04 3iey h TYR 65 Ca 0.07 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 3iey h TYR 65 Cb 0.63 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3iey h TYR 65 CO -0.48 0.58 -0.32 1.15 -1.05 0.00 0.00 178.16 178.05 3iey h THR 66 N 0.89 1.37 -0.53 -2.88 2.02 -0.93 -0.69 112.91 112.16 3iey h THR 66 Ca 0.23 -1.61 0.09 0.00 0.77 0.00 0.00 66.41 65.89 3iey h THR 66 Cb -0.00 2.07 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 3iey h THR 66 CO -0.04 0.48 0.14 0.58 0.37 0.00 0.00 175.52 177.04 3iey h VAL 67 N 0.04 0.74 -0.14 3.16 2.07 -0.52 -1.72 116.25 119.89 3iey h VAL 67 Ca -0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3iey h VAL 67 Cb 0.93 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3iey h VAL 67 CO 0.07 0.05 0.05 0.50 0.02 0.00 0.00 177.57 178.26 3iey h LYS 68 N 0.29 0.21 -0.39 1.57 3.64 -0.86 -1.33 116.57 119.69 3iey h LYS 68 Ca 0.26 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3iey h LYS 68 Cb 0.34 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3iey h LYS 68 CO -0.32 0.30 0.16 0.22 -2.27 0.00 0.00 179.45 177.55 3iey h ASP 69 N 0.06 0.21 -0.27 4.20 3.58 -0.96 -1.73 116.42 121.51 3iey h ASP 69 Ca 0.05 0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 3iey h ASP 69 Cb 0.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 3iey h ASP 69 CO -0.00 0.16 -0.45 -0.07 -2.88 0.00 0.00 179.24 175.99 3iey h LEU 70 N 0.34 0.86 -0.68 2.28 3.38 -1.15 -2.18 115.31 118.16 3iey h LEU 70 Ca 0.17 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3iey h LEU 70 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3iey h LEU 70 CO -0.16 1.22 0.25 0.40 0.09 0.00 0.00 178.44 180.24 3iey h ILE 71 N 0.52 1.25 0.00 1.22 5.03 -1.23 -1.94 117.51 122.36 3iey h ILE 71 Ca 0.02 -0.81 0.00 0.00 -0.12 0.00 0.00 64.86 63.95 3iey h ILE 71 Cb 1.05 0.50 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 3iey h ILE 71 CO 0.10 0.32 0.00 -0.07 -0.68 0.00 0.00 178.15 177.82 3iey h LEU 72 N 0.98 0.00 -0.32 1.44 3.38 -1.25 -1.39 115.31 118.14 3iey h LEU 72 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iey h LEU 72 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iey h LEU 72 CO -0.01 0.00 -0.17 0.54 0.09 0.00 0.00 178.44 178.88 3iey n ARG 73 N -2.62 0.71 0.00 1.13 1.74 -0.83 -4.94 116.66 111.85 3iey n ARG 73 Ca 0.02 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 3iey n ARG 73 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3iey n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iey n GLY 74 N 1.31 0.97 3.95 -0.13 0.00 -0.52 -5.09 105.19 105.68 3iey n GLY 74 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3iey n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iey s TYR 75 N -2.00 2.72 -0.09 1.61 2.02 -0.75 -4.44 117.35 116.42 3iey s TYR 75 Ca 0.00 0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 3iey s TYR 75 Cb 0.00 -3.03 -0.01 0.00 -0.40 0.00 0.00 41.96 38.52 3iey s TYR 75 CO 0.00 -1.26 -0.19 1.03 -1.57 0.00 0.00 175.55 173.56 3iey s ARG 76 N -5.06 2.90 0.17 -0.62 3.00 -1.25 -4.29 118.95 113.79 3iey s ARG 76 Ca 0.60 -0.79 0.01 0.00 0.00 0.00 0.00 55.73 55.55 3iey s ARG 76 Cb -0.10 -2.38 -0.04 0.00 0.00 0.00 0.00 34.95 32.43 3iey s ARG 76 CO 0.42 0.34 0.02 0.14 0.00 0.00 0.00 175.30 176.22 3iey s VAL 77 N -0.02 0.53 -0.04 3.52 -7.23 -1.26 -1.84 120.40 114.06 3iey s VAL 77 Ca -0.06 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 57.97 3iey s VAL 77 Cb -0.15 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.71 3iey s VAL 77 CO 0.05 -0.45 0.41 0.00 -0.31 0.00 0.00 175.10 174.79 3iey s ARG 78 N -3.95 0.73 -0.18 4.82 1.70 -0.94 -4.28 118.95 116.86 3iey s ARG 78 Ca 0.25 0.02 -0.21 0.00 -0.47 0.00 0.00 55.73 55.32 3iey s ARG 78 Cb 0.07 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3iey s ARG 78 CO 0.04 -0.20 0.64 0.12 -1.08 0.00 0.00 175.30 174.82 3iey s PHE 79 N -1.08 3.41 -2.34 5.89 5.36 -1.26 -0.21 117.98 127.75 3iey s PHE 79 Ca -0.11 0.97 0.21 0.00 -0.96 0.00 0.00 56.93 57.05 3iey s PHE 79 Cb -0.04 -2.79 0.55 0.00 -0.34 0.00 0.00 43.02 40.40 3iey s PHE 79 CO 0.05 -0.13 1.45 -0.40 -1.46 0.00 0.00 175.22 174.74 3iey n ASP 80 N 4.84 2.63 0.00 6.13 3.85 0.06 -4.87 116.55 129.20 3iey n ASP 80 Ca -0.01 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 3iey n ASP 80 Cb 0.50 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 3iey n ASP 80 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3iey n GLY 81 N 1.33 2.88 1.65 6.12 0.00 -1.26 -4.79 105.19 111.12 3iey n GLY 81 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3iey n GLY 81 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iey n PHE 82 N -0.99 -1.12 -3.95 1.61 7.35 -1.26 -5.11 117.46 114.00 3iey n PHE 82 Ca 0.00 0.20 -0.23 0.00 -0.76 0.00 0.00 57.45 56.66 3iey n PHE 82 Cb 0.00 0.36 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 3iey n PHE 82 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3iey s PHE 83 N -2.00 3.46 -0.22 -5.13 0.08 -1.26 -4.81 117.98 108.09 3iey s PHE 83 Ca 0.00 0.04 -0.17 0.00 0.12 0.00 0.00 56.93 56.92 3iey s PHE 83 Cb 0.00 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3iey s PHE 83 CO 0.00 0.46 0.45 0.42 -0.10 0.00 0.00 175.22 176.45 3iey s ILE 84 N -1.91 5.14 -0.10 0.64 1.01 0.42 -0.76 121.20 125.64 3iey s ILE 84 Ca 0.34 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 3iey s ILE 84 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3iey s ILE 84 CO 0.29 0.18 0.96 -1.61 0.00 0.00 0.00 174.94 174.77 3iey s GLU 85 N 1.72 4.42 -0.19 2.79 2.02 0.71 -0.49 118.70 129.68 3iey s GLU 85 Ca 0.20 1.32 -0.03 0.00 0.02 0.00 0.00 54.97 56.48 3iey s GLU 85 Cb -0.15 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 3iey s GLU 85 CO 0.09 -0.27 -0.05 -1.17 0.02 0.00 0.00 175.26 173.88 3iey s LEU 86 N 1.85 2.97 0.04 1.80 2.96 0.12 -2.20 118.68 126.21 3iey s LEU 86 Ca 0.47 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3iey s LEU 86 Cb -0.18 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3iey s LEU 86 CO 0.18 0.06 0.01 -0.31 -1.32 0.00 0.00 176.35 174.97 3iey s TYR 87 N 0.99 3.05 0.80 5.38 2.02 -0.77 -0.43 117.35 128.40 3iey s TYR 87 Ca 0.00 0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.61 3iey s TYR 87 Cb -0.15 -1.62 0.08 0.00 -0.40 0.00 0.00 41.96 39.87 3iey s TYR 87 CO 0.00 0.47 1.18 -1.83 -1.57 0.00 0.00 175.55 173.80 3iey s GLU 88 N -1.88 1.75 0.18 -0.62 4.04 -1.26 -3.86 118.70 117.05 3iey s GLU 88 Ca 0.22 1.64 -0.33 0.00 0.04 0.00 0.00 54.97 56.54 3iey s GLU 88 Cb -0.12 -1.80 -0.13 0.00 0.02 0.00 0.00 34.13 32.10 3iey s GLU 88 CO 0.14 -2.10 1.66 1.63 -1.84 0.00 0.00 175.26 174.75 3iey n LYS 89 N -3.32 2.46 0.00 -4.83 5.02 -1.26 -2.93 118.16 113.31 3iey n LYS 89 Ca 0.13 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 3iey n LYS 89 Cb 0.51 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 3iey n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iey n GLY 90 N 3.72 3.11 3.87 0.72 0.00 -1.26 -5.08 105.19 110.27 3iey n GLY 90 Ca 0.17 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3iey n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iey s ILE 91 N -0.37 4.81 -0.11 -0.61 -4.36 -1.15 -5.08 121.20 114.34 3iey s ILE 91 Ca 0.00 0.62 -0.11 0.00 -0.26 0.00 0.00 60.65 60.90 3iey s ILE 91 Cb 0.00 -3.68 -0.05 0.00 1.25 0.00 0.00 42.46 39.99 3iey s ILE 91 CO 0.00 -0.32 0.25 -0.51 0.24 0.00 0.00 174.94 174.60 3iey s ILE 92 N -2.12 5.32 0.22 8.37 -1.16 -1.26 -4.64 121.20 125.94 3iey s ILE 92 Ca 0.50 0.46 -0.31 0.00 -0.51 0.00 0.00 60.65 60.79 3iey s ILE 92 Cb -0.10 -3.55 -0.14 0.00 0.61 0.00 0.00 42.46 39.27 3iey s ILE 92 CO 0.25 0.53 1.25 -2.65 -2.81 0.00 0.00 174.94 171.51 3iey n PRO 93 N 2.49 1.59 0.00 3.50 -0.02 -1.26 -2.43 135.00 138.87 3iey n PRO 93 Ca -0.16 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3iey n PRO 93 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3iey n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iey n GLY 94 N 1.90 3.24 0.13 -1.23 0.00 -1.26 -4.91 105.19 103.05 3iey n GLY 94 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3iey n GLY 94 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3iey h THR 95 N 0.00 1.07 -3.32 2.61 2.02 -1.90 -3.46 112.91 109.93 3iey h THR 95 Ca 0.00 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 3iey h THR 95 Cb 0.00 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 3iey h THR 95 CO 0.00 0.07 -0.15 2.30 0.37 0.00 0.00 175.52 178.10 3iey n ILE 96 N -4.91 0.00 -2.19 3.11 -5.35 -1.26 -5.14 119.36 103.63 3iey n ILE 96 Ca -0.02 -0.79 -0.36 0.00 -0.27 0.00 0.00 62.75 61.30 3iey n ILE 96 Cb 0.03 0.33 0.01 0.00 -1.74 0.00 0.00 39.64 38.27 3iey n ILE 96 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3iey s GLU 97 N -2.49 3.40 0.63 6.28 8.01 -1.26 -5.02 118.70 128.25 3iey s GLU 97 Ca 0.09 1.74 -0.16 0.00 0.01 0.00 0.00 54.97 56.65 3iey s GLU 97 Cb 0.00 -2.13 -0.02 0.00 -4.31 0.00 0.00 34.13 27.67 3iey s GLU 97 CO 0.07 -0.84 1.12 1.14 0.01 0.00 0.00 175.26 176.76 3iey s GLN 98 N -3.08 2.93 0.03 1.61 0.00 -1.26 -4.95 119.66 114.94 3iey s GLN 98 Ca 0.71 1.49 -0.19 0.00 -0.00 0.00 0.00 55.36 57.36 3iey s GLN 98 Cb -0.27 -1.96 -0.16 0.00 0.00 0.00 0.00 33.01 30.61 3iey s GLN 98 CO 0.32 -1.17 1.27 -0.44 0.00 0.00 0.00 175.29 175.27 3iey h ASP 99 N 0.38 0.48 -4.71 12.60 3.32 -1.10 -3.47 116.42 123.92 3iey h ASP 99 Ca -0.48 -0.58 -0.28 0.00 0.02 0.00 0.00 57.03 55.71 3iey h ASP 99 Cb 1.26 -0.14 -0.20 0.00 0.22 0.00 0.00 39.33 40.46 3iey h ASP 99 CO 0.55 0.97 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.00 3iey s TYR 100 N -3.93 0.75 -0.23 4.55 2.02 -0.98 -3.94 117.35 115.59 3iey s TYR 100 Ca -0.14 -0.56 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 3iey s TYR 100 Cb 0.05 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.13 3iey s TYR 100 CO 0.79 -0.08 0.08 -0.51 -1.57 0.00 0.00 175.55 174.26 3iey s LEU 101 N -1.81 3.60 -0.11 -1.29 1.43 -0.01 -0.70 118.68 119.79 3iey s LEU 101 Ca -0.06 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3iey s LEU 101 Cb -0.08 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3iey s LEU 101 CO -0.00 0.02 -0.15 0.54 0.23 0.00 0.00 176.35 177.00 3iey s VAL 102 N 1.28 2.95 -0.29 -1.59 0.11 0.36 -1.48 120.40 121.75 3iey s VAL 102 Ca 0.05 -0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 58.32 3iey s VAL 102 Cb -0.15 -2.21 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 3iey s VAL 102 CO 0.04 0.54 0.08 -0.47 -3.33 0.00 0.00 175.10 171.96 3iey s TYR 103 N 0.06 3.13 -0.05 1.54 5.04 -0.68 -0.44 117.35 125.95 3iey s TYR 103 Ca -0.06 -0.91 -0.20 0.00 -2.44 0.00 0.00 57.07 53.47 3iey s TYR 103 Cb -0.15 -2.25 -0.05 0.00 0.35 0.00 0.00 41.96 39.87 3iey s TYR 103 CO 0.05 -0.55 0.55 -1.25 -1.34 0.00 0.00 175.55 173.01 3iey s PRO 104 N 1.51 4.31 0.09 4.97 0.04 -1.26 -1.11 135.00 143.56 3iey s PRO 104 Ca 0.03 0.63 0.02 0.00 0.04 0.00 0.00 61.00 61.72 3iey s PRO 104 Cb -0.17 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 3iey s PRO 104 CO 0.02 0.27 -0.06 0.14 0.04 0.00 0.00 177.00 177.42 3iey s VAL 105 N 0.17 0.63 0.40 -0.36 -7.23 0.68 -4.81 120.40 109.88 3iey s VAL 105 Ca 0.30 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 3iey s VAL 105 Cb -0.17 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.21 3iey s VAL 105 CO 0.15 -0.84 0.58 -0.94 -0.31 0.00 0.00 175.10 173.73 3iey s SER 106 N -2.89 5.82 0.35 4.85 1.04 -1.26 -0.68 113.70 120.93 3iey s SER 106 Ca 0.09 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.51 3iey s SER 106 Cb 0.04 -1.23 0.64 0.00 0.10 0.00 0.00 66.02 65.57 3iey s SER 106 CO -0.05 -0.63 1.97 1.23 0.98 0.00 0.00 173.24 176.75 3iey h GLY 107 N 0.62 0.78 2.00 7.32 0.00 -1.97 -3.14 103.07 108.69 3iey h GLY 107 Ca -0.45 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3iey h GLY 107 CO 0.53 0.32 0.00 0.83 0.00 0.00 0.00 176.54 178.23 3iey h GLU 108 N 0.73 0.00 -6.54 4.80 3.07 -1.95 -3.45 114.58 111.24 3iey h GLU 108 Ca 0.19 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.51 3iey h GLU 108 Cb 0.03 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 27.99 3iey h GLU 108 CO -0.03 0.00 1.07 -0.89 -1.40 0.00 0.00 179.01 177.76 3iey n ILE 109 N -2.92 0.26 -4.33 3.13 2.08 -1.19 -4.98 119.36 111.41 3iey n ILE 109 Ca 0.03 -0.05 -0.34 0.00 0.56 0.00 0.00 62.75 62.95 3iey n ILE 109 Cb 0.39 -2.04 -0.11 0.00 -0.75 0.00 0.00 39.64 37.13 3iey n ILE 109 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3iey s ARG 110 N 2.27 3.68 0.03 0.38 0.52 -1.26 -5.02 118.95 119.55 3iey s ARG 110 Ca 0.80 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 55.48 3iey s ARG 110 Cb -0.51 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 3iey s ARG 110 CO 0.37 0.28 0.08 1.41 0.02 0.00 0.00 175.30 177.45 3iey s MET 111 N 0.28 0.56 0.40 3.54 1.75 -1.26 -5.15 119.30 119.41 3iey s MET 111 Ca -0.02 -0.75 -0.20 0.00 -1.25 0.00 0.00 55.69 53.48 3iey s MET 111 Cb -0.14 0.22 -0.11 0.00 2.84 0.00 0.00 34.83 37.65 3iey s MET 111 CO 0.02 -0.13 0.90 0.99 -0.65 0.00 0.00 175.02 176.15 3iey s THR 112 N -2.52 4.45 0.29 10.11 2.01 -1.26 -4.99 115.64 123.73 3iey s THR 112 Ca -0.06 1.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.32 3iey s THR 112 Cb -0.02 -3.62 0.15 0.00 0.01 0.00 0.00 72.50 69.02 3iey s THR 112 CO -0.04 -0.27 1.82 -0.50 -0.69 0.00 0.00 174.62 174.94 3iey h TRP 113 N 2.04 0.79 -0.16 4.92 4.06 -2.01 -2.07 115.95 123.51 3iey h TRP 113 Ca -0.49 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 60.34 3iey h TRP 113 Cb 1.18 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 3iey h TRP 113 CO 0.62 0.69 -0.11 0.78 -3.56 0.00 0.00 178.44 176.86 3iey h GLY 114 N 0.94 0.27 1.48 1.49 0.00 -1.99 -2.01 103.07 103.25 3iey h GLY 114 Ca 0.16 -0.16 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3iey h GLY 114 CO 0.00 0.15 -0.61 0.83 0.00 0.00 0.00 176.54 176.91 3iey h GLU 115 N 0.24 0.53 -0.61 4.80 5.08 -1.84 -1.88 114.58 120.91 3iey h GLU 115 Ca 0.05 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 3iey h GLU 115 Cb 0.36 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3iey h GLU 115 CO 0.02 0.98 0.05 1.25 -1.00 0.00 0.00 179.01 180.31 3iey h LEU 116 N 0.40 1.00 -0.63 1.33 5.85 -1.12 -2.66 115.31 119.48 3iey h LEU 116 Ca -0.01 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 3iey h LEU 116 Cb 1.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3iey h LEU 116 CO 0.11 1.03 -0.11 0.25 -0.34 0.00 0.00 178.44 179.38 3iey h LEU 117 N 0.96 0.96 -0.58 2.25 6.46 -1.28 -1.92 115.31 122.15 3iey h LEU 117 Ca 0.18 -0.31 0.08 0.00 -0.12 0.00 0.00 57.88 57.71 3iey h LEU 117 Cb 0.49 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.09 3iey h LEU 117 CO 0.02 1.08 0.24 0.44 -0.62 0.00 0.00 178.44 179.60 3iey h ASP 118 N 0.86 0.28 -0.56 1.25 3.45 -1.22 0.46 116.42 120.94 3iey h ASP 118 Ca 0.13 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 3iey h ASP 118 Cb 0.66 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.43 3iey h ASP 118 CO 0.05 0.18 0.32 0.40 -1.57 0.00 0.00 179.24 178.62 3iey h ILE 119 N 0.44 1.17 -0.55 0.35 2.04 -1.22 -0.98 117.51 118.76 3iey h ILE 119 Ca 0.28 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 3iey h ILE 119 Cb 0.30 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3iey h ILE 119 CO -0.26 0.18 -0.07 0.22 0.00 0.00 0.00 178.15 178.22 3iey h TYR 120 N 0.75 1.13 0.00 1.37 3.20 -0.78 -2.81 116.97 119.83 3iey h TYR 120 Ca 0.20 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3iey h TYR 120 Cb 0.01 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3iey h TYR 120 CO -0.02 1.03 -0.19 -0.91 -1.64 0.00 0.00 178.16 176.44 3iey h ASN 121 N 0.89 0.00 -0.70 -2.11 2.35 0.17 -1.99 115.58 114.19 3iey h ASN 121 Ca 0.15 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3iey h ASN 121 Cb 0.63 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3iey h ASN 121 CO 0.04 0.19 0.19 0.50 -1.65 0.00 0.00 177.43 176.69 3iey h LYS 122 N 0.00 1.12 -0.26 0.81 3.64 -0.92 -0.16 116.57 120.80 3iey h LYS 122 Ca -0.00 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 58.96 3iey h LYS 122 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3iey h LYS 122 CO 0.02 0.98 -0.47 0.00 -2.27 0.00 0.00 179.45 177.71 3iey h ALA 123 N 1.13 0.67 -0.74 5.00 0.00 -1.33 -2.98 119.26 121.01 3iey h ALA 123 Ca 0.22 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3iey h ALA 123 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3iey h ALA 123 CO -0.00 0.67 0.30 0.82 0.00 0.00 0.00 179.25 181.04 3iey h ILE 124 N 0.56 1.25 0.00 0.00 2.04 -1.10 -2.10 117.51 118.16 3iey h ILE 124 Ca 0.03 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3iey h ILE 124 Cb 1.03 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3iey h ILE 124 CO 0.10 0.32 -0.08 0.00 0.00 0.00 0.00 178.15 178.48 3iey h ALA 125 N 1.15 1.67 -0.06 1.87 0.00 -1.03 0.57 119.26 123.43 3iey h ALA 125 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iey h ALA 125 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iey h ALA 125 CO -0.02 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.87 3iey n ARG 126 N -4.17 1.21 -3.63 0.00 1.74 -0.84 -4.92 116.66 106.06 3iey n ARG 126 Ca -0.03 -0.31 -0.26 0.00 -0.77 0.00 0.00 57.85 56.48 3iey n ARG 126 Cb 0.17 -1.26 0.05 0.00 -1.02 0.00 0.00 32.46 30.40 3iey n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3iey n LYS 127 N -0.42 -6.62 -4.23 5.56 5.02 0.19 -5.00 118.16 112.67 3iey n LYS 127 Ca 0.12 0.75 -0.17 0.00 -2.02 0.00 0.00 58.31 56.99 3iey n LYS 127 Cb 0.12 -5.72 -0.11 0.00 -0.02 0.00 0.00 35.03 29.31 3iey n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3iey s SER 128 N -3.21 1.88 0.51 4.39 0.15 -0.93 -5.04 113.70 111.44 3iey s SER 128 Ca 0.58 -0.85 -0.21 0.00 0.70 0.00 0.00 55.95 56.17 3iey s SER 128 Cb -0.27 -0.05 -0.07 0.00 -1.71 0.00 0.00 66.02 63.93 3iey s SER 128 CO 0.71 -0.20 1.14 -0.54 1.20 0.00 0.00 173.24 175.55 3iey s LYS 129 N -2.90 3.52 0.01 5.44 3.01 -1.25 -4.12 119.74 123.45 3iey s LYS 129 Ca 0.10 1.66 0.07 0.00 -1.01 0.00 0.00 55.97 56.80 3iey s LYS 129 Cb -0.03 -2.16 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 3iey s LYS 129 CO 0.02 -0.72 -0.22 0.12 0.51 0.00 0.00 175.35 175.06 3iey s PHE 130 N -1.69 2.45 -0.03 3.18 5.36 -1.26 -0.83 117.98 125.16 3iey s PHE 130 Ca 0.69 -0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 56.32 3iey s PHE 130 Cb -0.25 -1.48 0.03 0.00 -0.34 0.00 0.00 43.02 40.98 3iey s PHE 130 CO 0.30 0.13 0.03 1.41 -1.46 0.00 0.00 175.22 175.62 3iey s MET 131 N -1.04 0.05 -0.00 10.12 1.75 -0.55 -2.16 119.30 127.47 3iey s MET 131 Ca 0.12 0.19 -0.21 0.00 -1.25 0.00 0.00 55.69 54.53 3iey s MET 131 Cb -0.10 -0.35 -0.05 0.00 2.84 0.00 0.00 34.83 37.16 3iey s MET 131 CO 0.02 -0.18 0.63 -1.17 -0.65 0.00 0.00 175.02 173.66 3iey s LEU 132 N 1.22 4.42 -0.23 4.11 2.96 0.12 -1.69 118.68 129.58 3iey s LEU 132 Ca -0.07 1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3iey s LEU 132 Cb -0.13 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.60 3iey s LEU 132 CO -0.03 0.07 -0.09 0.00 -1.32 0.00 0.00 176.35 174.99 3iey s ALA 133 N -0.10 2.64 -0.25 5.97 0.00 -0.27 -0.67 121.76 129.08 3iey s ALA 133 Ca 0.33 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 3iey s ALA 133 Cb -0.19 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3iey s ALA 133 CO 0.18 -0.71 0.12 0.42 0.00 0.00 0.00 175.76 175.78 3iey s ILE 134 N 1.32 4.83 -0.19 0.00 1.01 0.32 -0.23 121.20 128.26 3iey s ILE 134 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 3iey s ILE 134 Cb -0.16 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 3iey s ILE 134 CO -0.06 0.32 -0.05 0.68 0.00 0.00 0.00 174.94 175.83 3iey s VAL 135 N 1.49 3.48 1.00 2.92 -7.23 0.15 -0.93 120.40 121.27 3iey s VAL 135 Ca 0.06 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 59.59 3iey s VAL 135 Cb -0.15 -2.55 0.23 0.00 0.56 0.00 0.00 36.38 34.47 3iey s VAL 135 CO 0.06 0.45 1.35 -0.90 -0.31 0.00 0.00 175.10 175.76 3iey n ASP 136 N 4.32 0.10 0.10 4.85 5.68 0.25 -4.15 116.55 127.70 3iey n ASP 136 Ca -0.18 -1.49 0.11 0.00 -0.50 0.00 0.00 54.79 52.73 3iey n ASP 136 Cb 0.52 -1.04 0.45 0.00 -1.14 0.00 0.00 41.12 39.91 3iey n ASP 136 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3iey n SER 137 N -3.88 0.51 -0.48 -1.12 3.41 -1.26 -0.98 113.62 109.82 3iey n SER 137 Ca 0.17 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.53 3iey n SER 137 Cb 0.59 -0.73 0.23 0.00 -0.26 0.00 0.00 64.21 64.04 3iey n SER 137 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iey n GLU 138 N -2.06 1.34 -0.69 4.33 1.02 -1.26 -4.96 120.64 118.35 3iey n GLU 138 Ca 0.03 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 3iey n GLU 138 Cb 0.22 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3iey n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iey n GLY 139 N 1.34 0.65 3.80 0.62 0.00 -0.15 -5.06 105.19 106.40 3iey n GLY 139 Ca 0.13 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3iey n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iey s ASP 140 N -2.03 7.12 -0.03 1.61 1.01 -1.26 -4.78 116.67 118.31 3iey s ASP 140 Ca 0.00 1.73 0.07 0.00 0.71 0.00 0.00 52.55 55.06 3iey s ASP 140 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3iey s ASP 140 CO 0.00 -0.21 -0.25 -0.69 0.21 0.00 0.00 175.17 174.24 3iey s VAL 141 N -1.89 1.97 -0.02 -1.27 1.01 -1.26 -0.58 120.40 118.36 3iey s VAL 141 Ca 0.56 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3iey s VAL 141 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3iey s VAL 141 CO 0.18 0.56 -0.22 0.28 0.00 0.00 0.00 175.10 175.90 3iey s THR 142 N -0.46 1.71 -0.04 3.92 -1.32 -0.11 -4.97 115.64 114.37 3iey s THR 142 Ca 0.06 -0.93 0.05 0.00 -1.21 0.00 0.00 61.69 59.66 3iey s THR 142 Cb -0.11 -1.42 -0.02 0.00 -1.51 0.00 0.00 72.50 69.44 3iey s THR 142 CO 0.00 0.48 -0.17 -0.31 -2.21 0.00 0.00 174.62 172.42 3iey s TYR 143 N -0.50 2.61 -0.09 9.09 2.02 -1.26 -0.52 117.35 128.70 3iey s TYR 143 Ca 0.08 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 3iey s TYR 143 Cb -0.08 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.91 3iey s TYR 143 CO -0.01 0.13 0.01 0.71 -1.57 0.00 0.00 175.55 174.82 3iey s TYR 144 N -0.70 0.69 0.06 2.71 2.02 0.16 -4.97 117.35 117.32 3iey s TYR 144 Ca 0.11 -0.24 -0.22 0.00 -0.37 0.00 0.00 57.07 56.35 3iey s TYR 144 Cb -0.10 -0.82 -0.06 0.00 -0.40 0.00 0.00 41.96 40.57 3iey s TYR 144 CO 0.00 -0.36 0.64 -2.00 -1.57 0.00 0.00 175.55 172.26 3iey s GLU 145 N 1.97 4.34 -0.12 -0.62 2.12 -1.26 0.14 118.70 125.27 3iey s GLU 145 Ca 0.04 0.86 -0.05 0.00 0.36 0.00 0.00 54.97 56.18 3iey s GLU 145 Cb -0.13 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 3iey s GLU 145 CO -0.06 0.50 0.07 -0.06 -0.54 0.00 0.00 175.26 175.17 3iey s PHE 146 N -0.69 3.37 0.03 5.30 2.99 -0.92 -4.99 117.98 123.08 3iey s PHE 146 Ca 0.32 0.33 0.02 0.00 0.00 0.00 0.00 56.93 57.60 3iey s PHE 146 Cb -0.20 -1.91 -0.02 0.00 0.00 0.00 0.00 43.02 40.90 3iey s PHE 146 CO 0.20 0.54 -0.07 1.03 -0.00 0.00 0.00 175.22 176.92 3iey s ARG 147 N -0.73 0.51 0.19 0.44 3.00 -1.26 -4.54 118.95 116.56 3iey s ARG 147 Ca 0.12 -0.62 -0.30 0.00 0.00 0.00 0.00 55.73 54.93 3iey s ARG 147 Cb -0.12 -0.33 -0.08 0.00 0.00 0.00 0.00 34.95 34.42 3iey s ARG 147 CO 0.03 0.07 0.96 0.15 0.00 0.00 0.00 175.30 176.50 3iey s LYS 148 N -1.23 4.79 -0.17 3.54 -0.14 -1.26 -5.03 119.74 120.23 3iey s LYS 148 Ca -0.07 1.49 -0.21 0.00 -1.36 0.00 0.00 55.97 55.82 3iey s LYS 148 Cb -0.08 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.73 3iey s LYS 148 CO 0.00 0.38 0.63 -1.17 -0.76 0.00 0.00 175.35 174.43 3iey s LEU 149 N -0.71 4.18 -0.30 3.17 2.96 -1.26 -5.02 118.68 121.71 3iey s LEU 149 Ca 0.44 0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 55.06 3iey s LEU 149 Cb -0.25 -2.90 0.18 0.00 0.50 0.00 0.00 46.19 43.72 3iey s LEU 149 CO 0.31 -0.22 1.15 -0.60 -1.32 0.00 0.00 176.35 175.67 3iey s ARG 150 N 1.63 0.17 -0.02 1.98 6.06 -1.26 -5.12 118.95 122.38 3iey s ARG 150 Ca 0.30 0.33 -0.03 0.00 -2.50 0.00 0.00 55.73 53.83 3iey s ARG 150 Cb -0.16 0.10 -0.02 0.00 0.06 0.00 0.00 34.95 34.94 3iey s ARG 150 CO 0.11 -0.04 0.28 0.77 -2.50 0.00 0.00 175.30 173.93 3iey h SER 151 N 6.14 -0.09 -0.01 -2.12 0.02 -2.08 -3.56 113.55 111.85 3iey h SER 151 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3iey h SER 151 Cb 1.15 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3iey h SER 151 CO 0.17 0.06 0.00 -3.20 -1.14 0.00 0.00 176.83 172.71