#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u70 n ARG 2 N 0.00 0.14 -2.50 1.45 0.63 -1.26 -4.91 116.66 110.21 1u70 n ARG 2 Ca 0.00 0.06 -0.35 0.00 -0.92 0.00 0.00 57.85 56.64 1u70 n ARG 2 Cb 0.00 -0.74 -0.03 0.00 0.45 0.00 0.00 32.46 32.14 1u70 n ARG 2 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1u70 s PRO 3 N -2.16 3.86 -0.10 -0.14 0.02 -1.26 -4.80 135.00 130.41 1u70 s PRO 3 Ca -0.09 1.45 -0.02 0.00 0.02 0.00 0.00 61.00 62.37 1u70 s PRO 3 Cb 0.03 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1u70 s PRO 3 CO 0.12 -0.40 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.84 1u70 s LEU 4 N -3.25 3.32 -0.21 -5.54 1.02 -0.61 -4.49 118.68 108.91 1u70 s LEU 4 Ca 0.65 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.79 1u70 s LEU 4 Cb -0.19 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.28 1u70 s LEU 4 CO 0.24 0.30 -0.15 0.20 0.02 0.00 0.00 176.35 176.96 1u70 s ASN 5 N -0.41 3.68 -0.01 2.29 0.01 -0.88 -0.41 114.94 119.20 1u70 s ASN 5 Ca 0.07 -0.80 -0.10 0.00 -0.71 0.00 0.00 52.86 51.32 1u70 s ASN 5 Cb -0.12 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.94 1u70 s ASN 5 CO 0.02 -0.06 0.31 0.00 -1.51 0.00 0.00 177.10 175.86 1u70 s ILE 7 N -1.18 0.81 0.10 0.00 2.07 -0.78 -0.21 121.20 122.00 1u70 s ILE 7 Ca 0.24 -0.21 -0.07 0.00 -1.41 0.00 0.00 60.65 59.20 1u70 s ILE 7 Cb -0.14 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 1u70 s ILE 7 CO 0.13 0.31 0.16 0.54 -1.91 0.00 0.00 174.94 174.17 1u70 s VAL 8 N 1.35 0.14 -0.12 4.00 0.11 -0.79 -4.61 120.40 120.49 1u70 s VAL 8 Ca -0.03 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1u70 s VAL 8 Cb -0.14 -1.49 0.02 0.00 -1.53 0.00 0.00 36.38 33.24 1u70 s VAL 8 CO -0.03 -0.65 -0.15 0.00 -3.33 0.00 0.00 175.10 170.94 1u70 s ALA 9 N -3.90 1.73 0.06 1.54 0.00 -1.26 -1.47 121.76 118.46 1u70 s ALA 9 Ca 0.08 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1u70 s ALA 9 Cb 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1u70 s ALA 9 CO -0.08 -0.13 -0.12 0.14 0.00 0.00 0.00 175.76 175.57 1u70 s VAL 10 N 1.08 0.90 0.88 0.00 -7.23 -0.76 -4.69 120.40 110.57 1u70 s VAL 10 Ca -0.04 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.83 1u70 s VAL 10 Cb -0.15 -0.89 0.17 0.00 0.56 0.00 0.00 36.38 36.08 1u70 s VAL 10 CO -0.03 -0.26 1.21 -0.94 -0.31 0.00 0.00 175.10 174.76 1u70 s SER 11 N -1.62 3.57 0.12 4.85 1.04 -0.37 -1.38 113.70 119.91 1u70 s SER 11 Ca -0.05 0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 1u70 s SER 11 Cb -0.10 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.72 1u70 s SER 11 CO 0.02 -2.41 1.65 1.56 0.98 0.00 0.00 173.24 175.03 1u70 h GLN 12 N -1.25 -0.34 -2.06 4.02 4.20 -1.18 -1.22 115.11 117.29 1u70 h GLN 12 Ca -0.42 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 1u70 h GLN 12 Cb 1.25 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1u70 h GLN 12 CO 0.40 -0.22 -0.05 0.27 -0.67 0.00 0.00 178.83 178.55 1u70 n ASN 13 N -5.34 4.10 -3.12 1.46 6.94 -1.26 -4.74 115.26 113.30 1u70 n ASN 13 Ca -0.05 -2.13 -0.16 0.00 -0.02 0.00 0.00 54.58 52.22 1u70 n ASN 13 Cb 0.26 -0.93 -0.03 0.00 -2.36 0.00 0.00 39.78 36.72 1u70 n ASN 13 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1u70 n MET 14 N 1.87 -1.94 -3.92 -3.83 1.56 -0.46 -4.91 117.12 105.51 1u70 n MET 14 Ca 0.09 0.05 -0.33 0.00 -0.27 0.00 0.00 57.70 57.23 1u70 n MET 14 Cb 0.47 -4.13 -0.05 0.00 2.15 0.00 0.00 33.22 31.66 1u70 n MET 14 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1u70 s GLY 15 N -2.31 2.17 0.01 -5.12 0.00 -1.25 -2.30 107.32 98.51 1u70 s GLY 15 Ca 0.32 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1u70 s GLY 15 CO 0.39 -0.64 -0.07 -0.26 0.00 0.00 0.00 173.10 172.52 1u70 s ILE 16 N -1.30 0.52 0.37 0.90 -4.36 -1.04 -1.24 121.20 115.04 1u70 s ILE 16 Ca 0.26 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 1u70 s ILE 16 Cb -0.13 -0.48 0.00 0.00 1.25 0.00 0.00 42.46 43.10 1u70 s ILE 16 CO 0.18 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.96 1u70 n GLY 17 N 2.50 -2.46 3.17 6.27 0.00 -1.26 -3.79 105.19 109.62 1u70 n GLY 17 Ca -0.16 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.38 1u70 n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u70 s LYS 18 N -4.87 0.66 -0.48 1.61 2.47 0.59 -2.76 119.74 116.97 1u70 s LYS 18 Ca 0.00 0.19 -0.01 0.00 -1.56 0.00 0.00 55.97 54.59 1u70 s LYS 18 Cb 0.00 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 1u70 s LYS 18 CO 0.00 -1.09 0.10 0.09 0.16 0.00 0.00 175.35 174.60 1u70 n ASN 19 N 4.97 -2.65 0.00 1.43 3.02 -1.26 -4.01 115.26 116.76 1u70 n ASN 19 Ca 0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1u70 n ASN 19 Cb 0.55 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.95 1u70 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u70 n GLY 20 N -0.98 1.00 0.31 7.41 0.00 -1.26 -5.05 105.19 106.62 1u70 n GLY 20 Ca -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1u70 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u70 n ASP 21 N 0.00 0.88 -4.82 1.61 -0.08 -1.26 -4.92 116.55 107.96 1u70 n ASP 21 Ca 0.00 -1.20 -0.34 0.00 -1.51 0.00 0.00 54.79 51.74 1u70 n ASP 21 Cb 0.00 0.10 -0.07 0.00 2.34 0.00 0.00 41.12 43.49 1u70 n ASP 21 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1u70 s ARG 22 N -2.14 4.26 0.27 -0.67 3.00 -1.26 0.22 118.95 122.63 1u70 s ARG 22 Ca 0.02 1.08 -0.01 0.00 0.00 0.00 0.00 55.73 56.82 1u70 s ARG 22 Cb 0.00 -2.35 0.38 0.00 0.00 0.00 0.00 34.95 32.98 1u70 s ARG 22 CO 0.01 0.07 1.79 -1.00 0.00 0.00 0.00 175.30 176.17 1u70 h PRO 23 N 2.24 0.77 -6.97 3.54 0.13 -1.85 -3.41 132.00 126.46 1u70 h PRO 23 Ca -0.48 -0.19 -0.49 0.00 -0.87 0.00 0.00 66.00 63.96 1u70 h PRO 23 Cb 1.18 -0.10 0.04 0.00 0.13 0.00 0.00 31.00 32.25 1u70 h PRO 23 CO 0.62 0.76 0.13 1.67 -0.23 0.00 0.00 178.00 180.96 1u70 s TRP 24 N -5.04 3.55 0.66 1.56 -2.14 -1.26 -4.87 118.94 111.40 1u70 s TRP 24 Ca -0.09 0.83 -0.17 0.00 2.66 0.00 0.00 56.10 59.33 1u70 s TRP 24 Cb 0.15 -2.35 -0.00 0.00 -3.10 0.00 0.00 33.47 28.17 1u70 s TRP 24 CO 0.80 -0.33 1.19 -1.25 -2.66 0.00 0.00 176.95 174.71 1u70 s PRO 25 N -4.78 2.61 -0.06 3.25 0.05 -1.26 -4.89 135.00 129.92 1u70 s PRO 25 Ca 0.48 1.74 -0.35 0.00 0.05 0.00 0.00 61.00 62.92 1u70 s PRO 25 Cb -0.10 -1.89 -0.13 0.00 0.05 0.00 0.00 34.50 32.42 1u70 s PRO 25 CO 0.45 -1.47 1.78 -2.30 0.05 0.00 0.00 177.00 175.52 1u70 n PRO 26 N -2.16 1.99 -3.51 0.56 -0.02 -1.26 -4.93 135.00 125.66 1u70 n PRO 26 Ca 0.13 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 1u70 n PRO 26 Cb 0.50 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1u70 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u70 s LEU 27 N 3.25 5.82 0.23 2.45 1.43 -1.26 -4.98 118.68 125.62 1u70 s LEU 27 Ca 0.90 -2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 1u70 s LEU 27 Cb -0.75 -2.04 0.22 0.00 0.03 0.00 0.00 46.19 43.64 1u70 s LEU 27 CO 0.51 -0.68 1.82 0.03 0.23 0.00 0.00 176.35 178.25 1u70 h ARG 28 N 8.35 1.18 0.00 1.70 3.08 -1.99 -2.36 114.38 124.34 1u70 h ARG 28 Ca -0.18 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1u70 h ARG 28 Cb 1.06 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1u70 h ARG 28 CO 0.87 0.92 -0.24 -0.91 -1.07 0.00 0.00 179.97 179.54 1u70 h ASN 29 N 1.16 0.00 1.04 7.04 2.35 -2.00 -2.35 115.58 122.82 1u70 h ASN 29 Ca 0.27 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 1u70 h ASN 29 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1u70 h ASN 29 CO -0.03 0.24 -0.88 -0.08 -1.65 0.00 0.00 177.43 175.02 1u70 h GLU 30 N 0.00 0.00 -0.12 0.81 4.22 -1.87 -2.77 114.58 114.85 1u70 h GLU 30 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.30 1u70 h GLU 30 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1u70 h GLU 30 CO 0.03 0.88 -0.54 0.74 -2.18 0.00 0.00 179.01 177.94 1u70 h PHE 31 N 0.00 0.44 -0.38 0.92 0.04 -1.08 -1.32 116.94 115.57 1u70 h PHE 31 Ca -0.01 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 1u70 h PHE 31 Cb 1.64 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.69 1u70 h PHE 31 CO 0.00 0.82 0.10 0.87 -0.60 0.00 0.00 178.31 179.49 1u70 h LYS 32 N 0.28 0.61 -0.62 1.51 1.57 -1.39 0.37 116.57 118.90 1u70 h LYS 32 Ca 0.01 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1u70 h LYS 32 Cb 1.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1u70 h LYS 32 CO 0.09 0.64 0.18 -0.92 -0.57 0.00 0.00 179.45 178.87 1u70 h TYR 33 N 0.47 0.96 -0.21 -1.35 5.03 -1.28 0.97 116.97 121.56 1u70 h TYR 33 Ca 0.12 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1u70 h TYR 33 Cb 0.30 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 1u70 h TYR 33 CO 0.02 0.78 0.01 0.35 -1.32 0.00 0.00 178.16 178.00 1u70 h PHE 34 N 0.91 0.40 0.38 -3.82 3.57 -0.78 -1.36 116.94 116.25 1u70 h PHE 34 Ca 0.20 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1u70 h PHE 34 Cb 0.28 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1u70 h PHE 34 CO 0.02 0.54 -0.18 0.37 -2.23 0.00 0.00 178.31 176.83 1u70 h GLN 35 N 0.15 -0.50 -0.68 1.11 4.15 0.07 -2.06 115.11 117.35 1u70 h GLN 35 Ca 0.06 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1u70 h GLN 35 Cb 0.37 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1u70 h GLN 35 CO 0.01 -0.32 0.37 -0.09 -1.93 0.00 0.00 178.83 176.87 1u70 h ARG 36 N -0.53 0.94 -0.22 1.69 2.43 -0.85 -0.52 114.38 117.32 1u70 h ARG 36 Ca -0.05 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 1u70 h ARG 36 Cb 0.41 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1u70 h ARG 36 CO 0.09 0.69 -0.37 1.98 -1.51 0.00 0.00 179.97 180.84 1u70 h MET 37 N 0.95 0.63 0.00 0.20 4.05 -1.17 -2.51 114.93 117.08 1u70 h MET 37 Ca 0.24 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1u70 h MET 37 Cb 0.03 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1u70 h MET 37 CO -0.04 1.01 -0.68 1.79 0.23 0.00 0.00 176.91 179.22 1u70 h THR 38 N 0.33 0.00 0.05 -0.77 1.35 -1.31 -3.36 112.91 109.20 1u70 h THR 38 Ca 0.01 -0.81 -0.30 0.00 -0.55 0.00 0.00 66.41 64.77 1u70 h THR 38 Cb 0.96 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 1u70 h THR 38 CO 0.08 0.00 -1.67 0.74 -0.25 0.00 0.00 175.52 174.42 1u70 h THR 39 N 0.00 0.93 -3.51 6.82 2.02 -1.15 -3.43 112.91 114.59 1u70 h THR 39 Ca 0.00 -2.71 -0.56 0.00 0.77 0.00 0.00 66.41 63.91 1u70 h THR 39 Cb 0.90 2.53 -0.07 0.00 -1.74 0.00 0.00 68.15 69.78 1u70 h THR 39 CO 0.00 0.67 0.98 -0.89 0.37 0.00 0.00 175.52 176.65 1u70 s THR 40 N -2.60 4.08 0.37 3.16 2.01 -0.95 -4.61 115.64 117.09 1u70 s THR 40 Ca -0.08 1.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.95 1u70 s THR 40 Cb 0.08 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1u70 s THR 40 CO 0.82 -0.99 0.64 -0.94 -0.69 0.00 0.00 174.62 173.46 1u70 s SER 41 N 3.01 6.38 0.02 3.53 1.04 -1.26 -4.97 113.70 121.45 1u70 s SER 41 Ca 0.51 0.78 0.25 0.00 0.48 0.00 0.00 55.95 57.97 1u70 s SER 41 Cb -0.09 -2.18 0.51 0.00 0.10 0.00 0.00 66.02 64.36 1u70 s SER 41 CO 0.31 -0.34 1.42 -1.54 0.98 0.00 0.00 173.24 174.07 1u70 n SER 42 N -1.48 0.50 -4.32 7.02 3.41 -1.26 -4.86 113.62 112.64 1u70 n SER 42 Ca -0.01 -0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.14 1u70 n SER 42 Cb 0.55 0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 64.56 1u70 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u70 s VAL 43 N -3.03 2.02 0.27 -3.33 1.01 -1.26 -5.11 120.40 110.97 1u70 s VAL 43 Ca 0.10 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 1u70 s VAL 43 Cb 0.17 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 1u70 s VAL 43 CO 0.70 0.38 1.04 -0.70 0.00 0.00 0.00 175.10 176.52 1u70 s GLU 44 N -1.07 4.70 0.00 2.72 2.56 -1.26 -3.52 118.70 122.82 1u70 s GLU 44 Ca 0.11 1.68 0.00 0.00 0.00 0.00 0.00 54.97 56.75 1u70 s GLU 44 Cb -0.10 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.85 1u70 s GLU 44 CO 0.01 0.30 0.00 0.41 -0.56 0.00 0.00 175.26 175.43 1u70 n GLY 45 N 1.25 2.60 3.82 -1.50 0.00 -1.26 -5.01 105.19 105.09 1u70 n GLY 45 Ca -0.01 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1u70 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u70 s LYS 46 N 0.00 4.00 0.33 1.61 1.02 -1.23 -4.98 119.74 120.49 1u70 s LYS 46 Ca 0.00 0.48 0.07 0.00 0.02 0.00 0.00 55.97 56.54 1u70 s LYS 46 Cb 0.00 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1u70 s LYS 46 CO 0.00 0.65 0.27 -0.65 -0.92 0.00 0.00 175.35 174.70 1u70 s GLN 47 N -0.98 2.71 0.38 1.68 -0.21 -0.70 -4.71 119.66 117.83 1u70 s GLN 47 Ca 0.25 -1.29 -0.12 0.00 0.02 0.00 0.00 55.36 54.21 1u70 s GLN 47 Cb -0.17 -2.46 -0.07 0.00 1.00 0.00 0.00 33.01 31.31 1u70 s GLN 47 CO 0.14 0.13 0.76 -0.80 -2.12 0.00 0.00 175.29 173.40 1u70 s ASN 48 N -3.97 6.60 -0.10 5.90 0.01 -1.26 -0.52 114.94 121.61 1u70 s ASN 48 Ca 0.40 1.18 0.01 0.00 -0.71 0.00 0.00 52.86 53.74 1u70 s ASN 48 Cb -0.06 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 1u70 s ASN 48 CO 0.26 -0.34 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.16 1u70 s LEU 49 N -3.57 2.74 -0.07 0.60 1.98 0.10 -0.82 118.68 119.65 1u70 s LEU 49 Ca 0.52 -0.27 0.04 0.00 -2.89 0.00 0.00 54.13 51.53 1u70 s LEU 49 Cb -0.10 -1.59 -0.00 0.00 0.66 0.00 0.00 46.19 45.15 1u70 s LEU 49 CO 0.27 0.23 -0.19 0.68 -1.89 0.00 0.00 176.35 175.45 1u70 s VAL 50 N -0.07 1.66 -0.06 1.68 -7.23 0.17 0.42 120.40 116.98 1u70 s VAL 50 Ca -0.02 -0.82 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1u70 s VAL 50 Cb -0.14 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1u70 s VAL 50 CO 0.04 0.47 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.46 1u70 s ILE 51 N 0.23 2.45 0.05 -0.62 1.01 -0.13 -1.12 121.20 123.07 1u70 s ILE 51 Ca -0.11 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 1u70 s ILE 51 Cb -0.15 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.43 1u70 s ILE 51 CO 0.05 0.57 0.38 0.00 0.00 0.00 0.00 174.94 175.94 1u70 s MET 52 N -0.35 0.90 0.91 2.79 0.23 -0.96 -1.30 119.30 121.52 1u70 s MET 52 Ca 0.02 -0.45 -0.11 0.00 -1.03 0.00 0.00 55.69 54.12 1u70 s MET 52 Cb -0.12 0.40 0.14 0.00 -1.53 0.00 0.00 34.83 33.71 1u70 s MET 52 CO 0.02 -0.31 1.09 0.20 -2.03 0.00 0.00 175.02 173.99 1u70 s GLY 53 N -2.11 1.62 0.31 3.16 0.00 0.33 -1.55 107.32 109.08 1u70 s GLY 53 Ca -0.04 0.01 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1u70 s GLY 53 CO -0.04 0.50 1.77 -0.09 0.00 0.00 0.00 173.10 175.25 1u70 h ARG 54 N -1.64 0.37 -0.21 2.90 2.43 -1.79 -2.02 114.38 114.43 1u70 h ARG 54 Ca -0.49 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.44 1u70 h ARG 54 Cb 1.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1u70 h ARG 54 CO 0.53 0.60 -0.33 0.87 -1.51 0.00 0.00 179.97 180.12 1u70 h LYS 55 N 0.34 0.45 -0.40 0.20 1.57 -1.92 -2.82 116.57 113.98 1u70 h LYS 55 Ca 0.05 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1u70 h LYS 55 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1u70 h LYS 55 CO 0.04 0.73 -0.08 1.15 -0.57 0.00 0.00 179.45 180.72 1u70 h THR 56 N 0.38 1.27 -0.22 -0.16 2.02 -1.80 -2.76 112.91 111.64 1u70 h THR 56 Ca 0.05 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.13 1u70 h THR 56 Cb 0.77 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 68.31 1u70 h THR 56 CO 0.06 0.39 -0.28 -0.25 0.37 0.00 0.00 175.52 175.81 1u70 h TRP 57 N 0.58 -0.77 0.00 3.16 2.91 -1.14 -0.61 115.95 120.08 1u70 h TRP 57 Ca 0.10 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1u70 h TRP 57 Cb 0.59 0.37 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1u70 h TRP 57 CO 0.05 -0.36 0.00 1.19 -1.03 0.00 0.00 178.44 178.29 1u70 n PHE 58 N -5.39 0.00 0.05 2.65 3.01 -1.10 -2.70 117.46 113.98 1u70 n PHE 58 Ca -0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.35 1u70 n PHE 58 Cb 0.31 -0.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.58 1u70 n PHE 58 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1u70 h SER 59 N 0.00 0.09 -3.28 4.37 0.02 -0.80 -3.45 113.55 110.50 1u70 h SER 59 Ca 0.00 -0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 60.31 1u70 h SER 59 Cb 0.06 -0.03 0.04 0.00 0.14 0.00 0.00 62.40 62.61 1u70 h SER 59 CO 0.00 1.09 0.74 -0.63 -1.14 0.00 0.00 176.83 176.89 1u70 s ILE 60 N -2.67 2.90 0.20 3.27 1.01 -1.10 -4.90 121.20 119.91 1u70 s ILE 60 Ca -0.02 0.72 -0.32 0.00 0.00 0.00 0.00 60.65 61.04 1u70 s ILE 60 Cb 0.09 -3.46 -0.15 0.00 0.01 0.00 0.00 42.46 38.95 1u70 s ILE 60 CO 0.83 0.10 1.17 -2.65 0.00 0.00 0.00 174.94 174.39 1u70 n PRO 61 N 2.78 1.33 -0.28 2.79 -0.02 -1.26 -4.80 135.00 135.53 1u70 n PRO 61 Ca 0.08 0.47 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1u70 n PRO 61 Cb 0.41 -1.97 0.49 0.00 -0.02 0.00 0.00 33.50 32.42 1u70 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u70 h GLU 62 N 3.24 0.43 0.00 -0.52 4.81 -1.91 0.12 114.58 120.75 1u70 h GLU 62 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1u70 h GLU 62 Cb 1.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1u70 h GLU 62 CO 0.69 0.28 0.00 0.36 -0.73 0.00 0.00 179.01 179.61 1u70 n LYS 63 N -4.56 0.28 -0.34 1.92 0.00 -1.26 -2.28 118.16 111.92 1u70 n LYS 63 Ca 0.21 0.06 0.08 0.00 -0.00 0.00 0.00 58.31 58.66 1u70 n LYS 63 Cb 0.74 -1.50 0.23 0.00 -0.00 0.00 0.00 35.03 34.50 1u70 n LYS 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1u70 n ASN 64 N -1.33 3.61 -4.42 -5.58 3.02 0.42 -4.92 115.26 106.05 1u70 n ASN 64 Ca 0.10 -2.32 -0.33 0.00 -0.03 0.00 0.00 54.58 52.00 1u70 n ASN 64 Cb 0.22 -0.39 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 1u70 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1u70 s ARG 65 N -1.59 3.34 0.54 3.52 0.52 -0.96 -3.29 118.95 121.03 1u70 s ARG 65 Ca 0.35 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.78 1u70 s ARG 65 Cb 0.22 -2.67 -0.07 0.00 0.52 0.00 0.00 34.95 32.96 1u70 s ARG 65 CO 0.17 0.28 0.98 -2.14 0.02 0.00 0.00 175.30 174.62 1u70 s PRO 66 N 0.19 3.83 -0.02 3.54 0.02 -1.26 -4.95 135.00 136.35 1u70 s PRO 66 Ca -0.06 0.85 -0.31 0.00 0.02 0.00 0.00 61.00 61.50 1u70 s PRO 66 Cb -0.15 -2.14 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1u70 s PRO 66 CO 0.04 -0.34 1.96 1.28 -0.33 0.00 0.00 177.00 179.62 1u70 n LEU 67 N -1.90 3.89 -4.77 -5.54 4.77 -1.21 -4.87 117.00 107.38 1u70 n LEU 67 Ca 0.06 0.89 -0.40 0.00 -0.03 0.00 0.00 56.01 56.53 1u70 n LEU 67 Cb 0.54 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1u70 n LEU 67 CO 0.50 0.08 1.07 -1.59 -1.33 0.00 0.00 177.39 176.12 1u70 s LYS 68 N 4.44 4.01 -0.29 3.23 0.00 -1.26 -3.10 119.74 126.78 1u70 s LYS 68 Ca 0.91 2.42 0.00 0.00 0.00 0.00 0.00 55.97 59.30 1u70 s LYS 68 Cb -0.52 -2.87 0.00 0.00 0.00 0.00 0.00 37.83 34.44 1u70 s LYS 68 CO 0.45 -0.55 0.00 -0.25 0.00 0.00 0.00 175.35 175.00 1u70 n ASP 69 N 0.29 -4.74 -4.16 0.03 8.00 -1.26 -4.95 116.55 109.77 1u70 n ASP 69 Ca 0.02 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.41 1u70 n ASP 69 Cb 0.41 -2.48 -0.12 0.00 -0.02 0.00 0.00 41.12 38.91 1u70 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u70 s ARG 70 N -1.60 0.81 -0.14 -1.24 0.52 -1.18 -4.14 118.95 111.98 1u70 s ARG 70 Ca 0.00 -0.90 -0.22 0.00 -0.52 0.00 0.00 55.73 54.09 1u70 s ARG 70 Cb 0.00 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 1u70 s ARG 70 CO 0.00 0.18 0.66 0.42 0.02 0.00 0.00 175.30 176.58 1u70 s ILE 71 N -1.21 5.03 -0.33 1.52 1.01 0.00 -4.78 121.20 122.45 1u70 s ILE 71 Ca -0.02 1.29 -0.09 0.00 0.00 0.00 0.00 60.65 61.83 1u70 s ILE 71 Cb -0.10 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1u70 s ILE 71 CO 0.02 0.17 0.14 0.20 0.00 0.00 0.00 174.94 175.47 1u70 s ASN 72 N 1.00 5.44 -0.22 3.58 0.02 -1.26 -0.65 114.94 122.84 1u70 s ASN 72 Ca 0.32 -0.80 -0.08 0.00 -1.02 0.00 0.00 52.86 51.29 1u70 s ASN 72 Cb -0.16 -1.95 -0.04 0.00 0.02 0.00 0.00 41.25 39.12 1u70 s ASN 72 CO 0.13 -0.26 0.08 -0.63 0.02 0.00 0.00 177.10 176.43 1u70 s ILE 73 N 1.53 4.60 -0.13 0.60 1.01 -0.27 -2.19 121.20 126.35 1u70 s ILE 73 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 1u70 s ILE 73 Cb -0.18 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1u70 s ILE 73 CO 0.05 0.38 0.11 -0.69 0.00 0.00 0.00 174.94 174.78 1u70 s VAL 74 N 1.12 5.24 -0.14 2.92 1.01 -0.62 -2.26 120.40 127.68 1u70 s VAL 74 Ca 0.05 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1u70 s VAL 74 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1u70 s VAL 74 CO 0.03 0.58 0.06 -0.76 0.00 0.00 0.00 175.10 175.01 1u70 s LEU 75 N -0.69 3.86 -0.28 3.92 1.43 -0.59 -1.25 118.68 125.08 1u70 s LEU 75 Ca 0.13 0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 1u70 s LEU 75 Cb -0.12 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.27 1u70 s LEU 75 CO 0.03 0.27 0.99 -0.55 0.23 0.00 0.00 176.35 177.32 1u70 s SER 76 N -0.23 -0.49 -0.04 2.29 0.15 -0.77 -2.21 113.70 112.40 1u70 s SER 76 Ca 0.08 0.94 0.20 0.00 0.70 0.00 0.00 55.95 57.86 1u70 s SER 76 Cb -0.12 0.96 -0.24 0.00 -1.71 0.00 0.00 66.02 64.91 1u70 s SER 76 CO 0.01 -0.16 0.48 0.54 1.20 0.00 0.00 173.24 175.31 1u70 n ARG 77 N 2.33 0.66 0.05 5.44 1.74 -1.26 -4.26 116.66 121.36 1u70 n ARG 77 Ca -0.13 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.70 1u70 n ARG 77 Cb 0.56 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 30.25 1u70 n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u70 h GLU 78 N 0.00 0.35 -6.91 5.56 5.08 -1.97 -3.46 114.58 113.22 1u70 h GLU 78 Ca -0.20 -0.60 -0.51 0.00 -1.00 0.00 0.00 59.36 57.06 1u70 h GLU 78 Cb 1.50 0.22 0.05 0.00 0.50 0.00 0.00 28.75 31.02 1u70 h GLU 78 CO 0.02 1.29 0.52 -0.51 -1.00 0.00 0.00 179.01 179.32 1u70 s LEU 79 N -7.35 4.28 0.00 1.33 1.43 -1.26 -4.94 118.68 112.16 1u70 s LEU 79 Ca -0.17 2.38 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 1u70 s LEU 79 Cb 0.05 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 1u70 s LEU 79 CO 0.83 -0.58 0.27 0.29 0.23 0.00 0.00 176.35 177.39 1u70 n LYS 80 N 0.33 4.12 -4.20 1.70 4.01 -1.26 -4.93 118.16 117.93 1u70 n LYS 80 Ca 0.03 -0.20 -0.18 0.00 -0.51 0.00 0.00 58.31 57.45 1u70 n LYS 80 Cb 0.46 -0.77 -0.15 0.00 -0.51 0.00 0.00 35.03 34.06 1u70 n LYS 80 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1u70 s GLU 81 N -1.01 0.59 0.32 1.97 2.12 -1.26 -5.13 118.70 116.29 1u70 s GLU 81 Ca 0.02 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 1u70 s GLU 81 Cb 0.03 -0.59 -0.12 0.00 0.26 0.00 0.00 34.13 33.71 1u70 s GLU 81 CO 0.11 0.07 1.48 -2.30 -0.54 0.00 0.00 175.26 174.08 1u70 n PRO 82 N 3.26 2.49 -2.39 4.30 -0.02 -1.26 -4.95 135.00 136.44 1u70 n PRO 82 Ca -0.17 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 61.82 1u70 n PRO 82 Cb 0.56 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1u70 n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1u70 s PRO 83 N -1.19 4.06 -0.41 0.52 0.04 -1.26 -4.86 135.00 131.90 1u70 s PRO 83 Ca 0.60 1.70 -0.45 0.00 0.04 0.00 0.00 61.00 62.89 1u70 s PRO 83 Cb -0.53 -2.59 -0.19 0.00 0.04 0.00 0.00 34.50 31.23 1u70 s PRO 83 CO 0.55 -0.28 1.55 -2.13 0.04 0.00 0.00 177.00 176.74 1u70 n ARG 84 N -0.06 0.16 0.00 4.56 3.00 -1.26 0.57 116.66 123.63 1u70 n ARG 84 Ca 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1u70 n ARG 84 Cb 0.48 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.36 1u70 n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u70 n GLY 85 N 3.71 2.70 3.66 5.14 0.00 -1.26 -4.87 105.19 114.27 1u70 n GLY 85 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 1u70 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u70 s ALA 86 N -2.72 3.64 0.04 4.61 0.00 0.19 -4.50 121.76 123.02 1u70 s ALA 86 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 1u70 s ALA 86 Cb 0.00 -3.69 -0.17 0.00 0.00 0.00 0.00 23.12 19.26 1u70 s ALA 86 CO 0.00 -1.29 1.41 0.45 0.00 0.00 0.00 175.76 176.33 1u70 h HIS 87 N 8.93 -0.59 -3.17 0.00 -0.00 -1.75 -3.44 115.15 115.12 1u70 h HIS 87 Ca -0.34 -0.01 -0.40 0.00 -0.00 0.00 0.00 60.37 59.62 1u70 h HIS 87 Cb 1.15 0.20 -0.15 0.00 -0.00 0.00 0.00 27.41 28.60 1u70 h HIS 87 CO 0.85 -0.29 -0.73 -0.06 -0.00 0.00 0.00 177.93 177.70 1u70 s PHE 88 N -5.31 1.50 -0.06 2.45 0.08 -1.10 -5.05 117.98 110.49 1u70 s PHE 88 Ca -0.15 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.27 1u70 s PHE 88 Cb 0.03 -0.73 0.02 0.00 -0.57 0.00 0.00 43.02 41.77 1u70 s PHE 88 CO 0.57 0.22 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.66 1u70 s LEU 89 N -3.13 1.43 0.01 -0.37 1.98 -1.26 -1.59 118.68 115.74 1u70 s LEU 89 Ca 0.18 -0.23 0.05 0.00 -2.89 0.00 0.00 54.13 51.25 1u70 s LEU 89 Cb -0.00 -0.68 -0.02 0.00 0.66 0.00 0.00 46.19 46.15 1u70 s LEU 89 CO 0.04 -0.03 -0.16 0.00 -1.89 0.00 0.00 176.35 174.31 1u70 s ALA 90 N 0.95 1.36 -0.30 5.97 0.00 -0.38 -4.96 121.76 124.39 1u70 s ALA 90 Ca -0.10 -0.77 0.27 0.00 0.00 0.00 0.00 51.96 51.36 1u70 s ALA 90 Cb -0.15 -0.30 1.07 0.00 0.00 0.00 0.00 23.12 23.74 1u70 s ALA 90 CO 0.00 0.31 1.81 -0.22 0.00 0.00 0.00 175.76 177.66 1u70 h LYS 91 N 5.43 0.00 -1.87 0.00 3.64 -1.88 -2.04 116.57 119.84 1u70 h LYS 91 Ca -0.37 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.25 1u70 h LYS 91 Cb 1.16 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 1u70 h LYS 91 CO 0.47 0.00 0.66 -1.54 -2.27 0.00 0.00 179.45 176.77 1u70 s SER 92 N -4.87 -0.14 0.58 4.20 1.04 -1.26 -4.63 113.70 108.62 1u70 s SER 92 Ca 0.04 -0.22 0.31 0.00 0.48 0.00 0.00 55.95 56.55 1u70 s SER 92 Cb 0.09 0.31 1.77 0.00 0.10 0.00 0.00 66.02 68.29 1u70 s SER 92 CO 0.48 -0.56 2.21 0.25 0.98 0.00 0.00 173.24 176.59 1u70 h LEU 93 N 2.00 0.00 0.03 2.42 5.85 -1.99 -1.40 115.31 122.22 1u70 h LEU 93 Ca -0.25 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1u70 h LEU 93 Cb 1.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.25 1u70 h LEU 93 CO 0.27 0.04 -0.24 0.44 -0.34 0.00 0.00 178.44 178.61 1u70 h ASP 94 N 0.00 0.16 -0.88 1.25 5.19 -1.97 0.11 116.42 120.28 1u70 h ASP 94 Ca -0.00 -0.90 0.18 0.00 -0.62 0.00 0.00 57.03 55.69 1u70 h ASP 94 Cb 0.11 -0.05 -0.11 0.00 0.18 0.00 0.00 39.33 39.46 1u70 h ASP 94 CO 0.00 1.05 0.44 0.44 -3.12 0.00 0.00 179.24 178.05 1u70 h ASP 95 N -0.70 0.48 -0.09 6.45 5.19 -1.82 0.28 116.42 126.22 1u70 h ASP 95 Ca -0.04 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 1u70 h ASP 95 Cb 1.11 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1u70 h ASP 95 CO 0.05 0.14 -0.24 0.00 -3.12 0.00 0.00 179.24 176.07 1u70 h ALA 96 N 1.62 0.15 0.00 3.45 0.00 -1.28 -2.37 119.26 120.83 1u70 h ALA 96 Ca 0.51 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1u70 h ALA 96 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1u70 h ALA 96 CO -0.43 0.13 -0.26 -0.07 0.00 0.00 0.00 179.25 178.62 1u70 h LEU 97 N -0.15 0.00 0.00 0.00 3.38 0.20 -1.91 115.31 116.83 1u70 h LEU 97 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1u70 h LEU 97 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1u70 h LEU 97 CO 0.05 0.26 -0.95 0.03 0.09 0.00 0.00 178.44 177.93 1u70 h ARG 98 N 0.00 0.00 -0.21 1.13 -0.00 -0.52 -3.25 114.38 111.53 1u70 h ARG 98 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.36 1u70 h ARG 98 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.51 1u70 h ARG 98 CO 0.03 0.60 -0.32 1.25 0.00 0.00 0.00 179.97 181.53 1u70 h LEU 99 N 0.00 0.65 -2.35 3.04 5.85 -1.02 -3.07 115.31 118.41 1u70 h LEU 99 Ca -0.07 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 1u70 h LEU 99 Cb 1.60 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1u70 h LEU 99 CO 0.08 1.04 -0.02 0.40 -0.34 0.00 0.00 178.44 179.60 1u70 h ILE 100 N 0.28 0.59 -0.43 4.05 2.04 -1.44 -1.63 117.51 120.97 1u70 h ILE 100 Ca 0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1u70 h ILE 100 Cb 0.90 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1u70 h ILE 100 CO 0.07 0.02 0.00 1.21 0.00 0.00 0.00 178.15 179.45 1u70 n GLU 101 N -3.90 2.03 -2.55 2.37 4.07 -1.16 -3.69 120.64 117.81 1u70 n GLU 101 Ca -0.03 -1.56 -0.41 0.00 -0.06 0.00 0.00 57.16 55.10 1u70 n GLU 101 Cb 0.10 -1.35 -0.04 0.00 -0.06 0.00 0.00 31.44 30.09 1u70 n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1u70 s GLN 102 N -1.44 4.61 0.30 5.31 -1.52 -0.62 -4.82 119.66 121.49 1u70 s GLN 102 Ca 0.29 1.67 0.01 0.00 -1.95 0.00 0.00 55.36 55.39 1u70 s GLN 102 Cb 0.15 -3.30 0.74 0.00 -0.22 0.00 0.00 33.01 30.39 1u70 s GLN 102 CO 0.19 0.09 1.58 -1.35 -0.25 0.00 0.00 175.29 175.56 1u70 h PRO 103 N 5.24 0.03 -0.62 2.91 0.11 -1.91 0.29 132.00 138.04 1u70 h PRO 103 Ca -0.44 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1u70 h PRO 103 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1u70 h PRO 103 CO 0.73 0.02 0.42 1.05 -0.21 0.00 0.00 178.00 180.00 1u70 h GLU 104 N 0.03 0.48 0.00 1.05 4.11 -1.95 -3.02 114.58 115.28 1u70 h GLU 104 Ca 0.59 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1u70 h GLU 104 Cb 1.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1u70 h GLU 104 CO -0.89 0.32 -0.52 1.28 0.07 0.00 0.00 179.01 179.27 1u70 n LEU 105 N -4.48 1.76 -0.45 3.06 7.99 0.89 -4.39 117.00 121.38 1u70 n LEU 105 Ca 0.10 0.61 0.37 0.00 -0.01 0.00 0.00 56.01 57.08 1u70 n LEU 105 Cb 0.33 -0.85 0.60 0.00 -0.11 0.00 0.00 43.42 43.39 1u70 n LEU 105 CO 0.34 -0.46 1.09 0.00 -1.51 0.00 0.00 177.39 176.84 1u70 n ALA 106 N -3.64 1.27 0.32 -1.18 0.00 -0.36 0.24 120.51 117.16 1u70 n ALA 106 Ca -0.07 0.68 0.21 0.00 0.00 0.00 0.00 53.44 54.26 1u70 n ALA 106 Cb 0.27 -0.91 1.06 0.00 0.00 0.00 0.00 19.45 19.87 1u70 n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u70 h SER 107 N 0.00 0.00 0.00 0.00 0.87 -1.73 -3.11 113.55 109.57 1u70 h SER 107 Ca 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1u70 h SER 107 Cb 2.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.57 1u70 h SER 107 CO -0.29 0.01 -0.01 2.29 -0.53 0.00 0.00 176.83 178.30 1u70 n LYS 108 N -3.18 1.89 -5.15 2.24 2.85 0.67 -4.89 118.16 112.59 1u70 n LYS 108 Ca -0.02 -1.24 -0.32 0.00 -1.05 0.00 0.00 58.31 55.68 1u70 n LYS 108 Cb 0.13 -0.86 -0.15 0.00 -0.65 0.00 0.00 35.03 33.50 1u70 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1u70 s VAL 109 N -0.77 2.38 0.00 0.58 1.01 -1.08 -1.72 120.40 120.81 1u70 s VAL 109 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1u70 s VAL 109 Cb 0.02 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1u70 s VAL 109 CO 0.00 0.58 0.00 -0.67 0.00 0.00 0.00 175.10 175.01 1u70 n ASP 110 N 2.64 0.00 -4.90 3.32 2.03 0.32 -4.72 116.55 115.24 1u70 n ASP 110 Ca -0.17 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.81 1u70 n ASP 110 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1u70 n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1u70 s MET 111 N 0.00 3.53 -0.15 -0.67 -1.94 -1.26 0.39 119.30 119.21 1u70 s MET 111 Ca 0.00 -0.21 -0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1u70 s MET 111 Cb 0.00 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 1u70 s MET 111 CO 0.00 0.60 -0.10 0.08 -0.01 0.00 0.00 175.02 175.59 1u70 s VAL 112 N -1.45 3.26 -0.13 -6.03 1.01 -1.26 0.03 120.40 115.82 1u70 s VAL 112 Ca 0.33 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1u70 s VAL 112 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1u70 s VAL 112 CO 0.22 0.50 -0.21 0.26 0.00 0.00 0.00 175.10 175.87 1u70 s TRP 113 N 0.55 2.67 -0.22 5.22 0.52 0.17 -2.08 118.94 125.78 1u70 s TRP 113 Ca -0.07 -1.17 -0.18 0.00 0.02 0.00 0.00 56.10 54.70 1u70 s TRP 113 Cb -0.15 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1u70 s TRP 113 CO 0.03 -0.52 0.51 0.42 0.02 0.00 0.00 176.95 177.42 1u70 s ILE 114 N 0.67 5.10 0.00 2.03 -1.09 0.86 -0.96 121.20 127.82 1u70 s ILE 114 Ca -0.10 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1u70 s ILE 114 Cb -0.16 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1u70 s ILE 114 CO 0.02 0.16 0.36 1.33 -1.23 0.00 0.00 174.94 175.58 1u70 n VAL 115 N 4.68 0.00 -3.62 2.92 0.24 -0.42 -1.86 118.33 120.27 1u70 n VAL 115 Ca -0.05 -0.41 -0.04 0.00 -2.04 0.00 0.00 64.34 61.80 1u70 n VAL 115 Cb 0.50 1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 33.97 1u70 n VAL 115 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1u70 s GLY 116 N -0.09 -0.43 0.00 7.63 0.00 -1.25 -4.91 107.32 108.27 1u70 s GLY 116 Ca 0.00 2.68 0.00 0.00 0.00 0.00 0.00 44.72 47.40 1u70 s GLY 116 CO 0.00 2.65 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1u70 n GLY 117 N 4.39 3.69 0.29 0.20 0.00 -1.26 -0.51 105.19 111.98 1u70 n GLY 117 Ca -0.17 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 1u70 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u70 h SER 118 N 0.00 0.87 -0.39 1.61 0.02 -1.99 0.13 113.55 113.80 1u70 h SER 118 Ca 0.00 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 1u70 h SER 118 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1u70 h SER 118 CO 0.00 0.98 0.01 0.77 -1.14 0.00 0.00 176.83 177.44 1u70 h SER 119 N 0.80 0.68 -0.36 3.07 4.64 -1.93 -0.64 113.55 119.81 1u70 h SER 119 Ca 0.14 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 1u70 h SER 119 Cb 0.59 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1u70 h SER 119 CO 0.04 0.81 -0.11 0.58 -0.87 0.00 0.00 176.83 177.28 1u70 h VAL 120 N 0.52 1.28 0.17 0.95 2.07 -1.76 -0.91 116.25 118.57 1u70 h VAL 120 Ca 0.11 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1u70 h VAL 120 Cb 0.46 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1u70 h VAL 120 CO 0.02 0.39 -0.25 1.88 0.02 0.00 0.00 177.57 179.63 1u70 h TYR 121 N 0.49 -0.66 -0.12 1.57 0.99 -0.67 0.15 116.97 118.72 1u70 h TYR 121 Ca 0.09 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.87 1u70 h TYR 121 Cb 0.63 0.27 -0.06 0.00 1.00 0.00 0.00 36.73 38.57 1u70 h TYR 121 CO 0.05 -0.36 -0.28 1.96 -0.00 0.00 0.00 178.16 179.54 1u70 h GLN 122 N -0.48 -0.34 0.00 4.88 4.20 -0.99 -0.48 115.11 121.89 1u70 h GLN 122 Ca 0.02 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1u70 h GLN 122 Cb 0.48 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1u70 h GLN 122 CO -0.11 -0.23 -0.25 1.49 -0.67 0.00 0.00 178.83 179.07 1u70 h GLU 123 N -0.35 0.00 -0.23 1.46 4.81 -1.01 -0.64 114.58 118.62 1u70 h GLU 123 Ca 0.10 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1u70 h GLU 123 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1u70 h GLU 123 CO -0.32 0.25 -0.11 0.00 -0.73 0.00 0.00 179.01 178.10 1u70 h ALA 124 N 1.75 0.32 -0.08 2.92 0.00 0.12 -3.20 119.26 121.09 1u70 h ALA 124 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1u70 h ALA 124 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u70 h ALA 124 CO 0.03 0.17 -0.59 0.52 0.00 0.00 0.00 179.25 179.38 1u70 h MET 125 N 0.19 0.27 -2.05 0.00 2.86 -0.86 -3.31 114.93 112.03 1u70 h MET 125 Ca 0.05 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1u70 h MET 125 Cb 0.61 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1u70 h MET 125 CO 0.03 0.78 -0.02 0.09 1.06 0.00 0.00 176.91 178.85 1u70 n ASN 126 N -3.89 3.78 -3.64 1.22 4.13 -0.27 -4.73 115.26 111.86 1u70 n ASN 126 Ca -0.02 -2.03 -0.05 0.00 1.68 0.00 0.00 54.58 54.15 1u70 n ASN 126 Cb 0.61 -0.84 -0.07 0.00 -1.54 0.00 0.00 39.78 37.95 1u70 n ASN 126 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u70 s GLN 127 N 0.75 0.45 0.52 3.52 -2.07 -1.25 -4.99 119.66 116.59 1u70 s GLN 127 Ca 0.08 0.69 -0.19 0.00 -1.82 0.00 0.00 55.36 54.12 1u70 s GLN 127 Cb 0.04 0.14 -0.12 0.00 -1.09 0.00 0.00 33.01 31.97 1u70 s GLN 127 CO 0.00 -0.08 0.23 -2.30 -1.32 0.00 0.00 175.29 171.82 1u70 n PRO 128 N 3.26 0.27 0.00 9.60 -0.02 -1.26 -4.96 135.00 141.89 1u70 n PRO 128 Ca -0.17 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1u70 n PRO 128 Cb 0.57 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1u70 n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u70 n GLY 129 N 2.12 3.90 3.58 -1.23 0.00 -1.24 -4.99 105.19 107.33 1u70 n GLY 129 Ca 0.10 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1u70 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1u70 s HIS 130 N -2.35 1.76 -0.02 1.61 2.46 -1.26 -3.72 115.29 113.78 1u70 s HIS 130 Ca 0.00 0.72 0.08 0.00 0.47 0.00 0.00 55.06 56.33 1u70 s HIS 130 Cb 0.00 -4.10 -0.02 0.00 -0.13 0.00 0.00 32.58 28.33 1u70 s HIS 130 CO 0.00 -2.66 -0.25 -1.17 -2.47 0.00 0.00 174.74 168.18 1u70 s LEU 131 N 7.75 2.05 -0.03 8.88 2.96 0.23 -1.58 118.68 138.95 1u70 s LEU 131 Ca 0.75 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1u70 s LEU 131 Cb -0.18 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1u70 s LEU 131 CO 0.29 0.31 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.34 1u70 s ARG 132 N -0.62 1.45 -0.19 1.98 0.52 0.46 0.29 118.95 122.83 1u70 s ARG 132 Ca 0.10 -0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1u70 s ARG 132 Cb -0.10 -1.32 -0.00 0.00 0.52 0.00 0.00 34.95 34.05 1u70 s ARG 132 CO -0.01 0.26 -0.10 -0.51 0.02 0.00 0.00 175.30 174.96 1u70 s LEU 133 N -0.11 2.65 -0.41 2.53 1.43 -0.33 -0.21 118.68 124.23 1u70 s LEU 133 Ca 0.00 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 1u70 s LEU 133 Cb -0.09 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.55 1u70 s LEU 133 CO 0.01 0.02 0.25 -0.36 0.23 0.00 0.00 176.35 176.50 1u70 s PHE 134 N 1.20 3.30 -0.16 0.29 0.40 0.70 -0.84 117.98 122.88 1u70 s PHE 134 Ca 0.02 -1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 54.99 1u70 s PHE 134 Cb -0.14 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 1u70 s PHE 134 CO -0.04 -0.78 -0.02 0.08 0.70 0.00 0.00 175.22 175.16 1u70 s VAL 135 N 1.48 4.10 -0.34 -0.44 1.01 0.02 -1.89 120.40 124.33 1u70 s VAL 135 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1u70 s VAL 135 Cb -0.22 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1u70 s VAL 135 CO 0.04 0.49 0.23 -0.89 0.00 0.00 0.00 175.10 174.97 1u70 s THR 136 N 0.32 5.13 -0.66 3.92 2.01 -0.54 -0.14 115.64 125.68 1u70 s THR 136 Ca -0.02 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 61.42 1u70 s THR 136 Cb -0.14 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.77 1u70 s THR 136 CO 0.02 -0.04 0.99 -0.13 -0.69 0.00 0.00 174.62 174.77 1u70 s ARG 137 N 1.69 3.12 -0.60 4.92 1.81 0.12 -1.83 118.95 128.19 1u70 s ARG 137 Ca 0.05 -0.77 -0.28 0.00 -1.72 0.00 0.00 55.73 53.02 1u70 s ARG 137 Cb -0.18 -4.22 0.02 0.00 -0.45 0.00 0.00 34.95 30.12 1u70 s ARG 137 CO 0.10 -1.83 1.36 0.42 -0.68 0.00 0.00 175.30 174.67 1u70 s ILE 138 N 4.19 3.80 -1.14 1.52 -1.09 -0.48 -1.41 121.20 126.58 1u70 s ILE 138 Ca 0.23 0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 59.20 1u70 s ILE 138 Cb -0.16 -4.57 -0.07 0.00 -1.58 0.00 0.00 42.46 36.08 1u70 s ILE 138 CO 0.11 -1.33 2.34 0.23 -1.23 0.00 0.00 174.94 175.05 1u70 n MET 139 N 8.79 2.53 -3.61 2.79 2.81 0.15 -2.54 117.12 128.04 1u70 n MET 139 Ca 0.10 -1.81 -0.09 0.00 -1.81 0.00 0.00 57.70 54.09 1u70 n MET 139 Cb 0.49 -2.68 -0.06 0.00 -0.71 0.00 0.00 33.22 30.27 1u70 n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1u70 s GLN 140 N 3.25 0.47 -0.03 0.03 0.74 -1.26 -4.62 119.66 118.24 1u70 s GLN 140 Ca 0.51 0.28 -0.22 0.00 0.05 0.00 0.00 55.36 55.98 1u70 s GLN 140 Cb 0.13 0.23 -0.05 0.00 1.10 0.00 0.00 33.01 34.42 1u70 s GLN 140 CO -0.03 -0.11 0.66 -1.21 -0.55 0.00 0.00 175.29 174.05 1u70 s GLU 141 N -0.54 4.40 0.15 1.67 2.02 -1.26 -2.38 118.70 122.76 1u70 s GLU 141 Ca 0.02 0.82 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1u70 s GLU 141 Cb -0.02 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1u70 s GLU 141 CO -0.03 0.21 -0.07 -0.06 0.02 0.00 0.00 175.26 175.32 1u70 s PHE 142 N 0.32 1.23 -0.17 1.61 0.08 -1.26 -5.01 117.98 114.78 1u70 s PHE 142 Ca 0.34 -0.83 -0.20 0.00 0.12 0.00 0.00 56.93 56.37 1u70 s PHE 142 Cb -0.18 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1u70 s PHE 142 CO 0.18 0.00 0.56 -2.00 -0.10 0.00 0.00 175.22 173.86 1u70 s GLU 143 N -3.79 4.25 0.08 0.44 2.12 -1.26 -4.84 118.70 115.70 1u70 s GLU 143 Ca 0.18 0.52 0.08 0.00 0.36 0.00 0.00 54.97 56.11 1u70 s GLU 143 Cb 0.04 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1u70 s GLU 143 CO 0.01 -0.09 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.30 1u70 s SER 144 N 1.02 2.59 0.00 -1.70 0.01 -1.26 -4.74 113.70 109.62 1u70 s SER 144 Ca 0.27 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1u70 s SER 144 Cb -0.16 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1u70 s SER 144 CO 0.11 0.11 0.05 0.47 0.41 0.00 0.00 173.24 174.38 1u70 n ASP 145 N 1.36 0.00 -4.90 2.44 8.00 -1.11 -4.92 116.55 117.41 1u70 n ASP 145 Ca -0.19 0.37 -0.28 0.00 0.71 0.00 0.00 54.79 55.41 1u70 n ASP 145 Cb 0.53 -0.35 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1u70 n ASP 145 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1u70 s THR 146 N -0.78 4.61 0.08 -3.53 -1.32 -1.25 -5.02 115.64 108.42 1u70 s THR 146 Ca 0.00 0.35 0.01 0.00 -1.21 0.00 0.00 61.69 60.84 1u70 s THR 146 Cb 0.00 -3.79 -0.01 0.00 -1.51 0.00 0.00 72.50 67.20 1u70 s THR 146 CO 0.00 -0.86 0.05 0.49 -2.21 0.00 0.00 174.62 172.09 1u70 n PHE 147 N -2.46 -0.09 -4.79 9.09 3.01 -1.26 -2.50 117.46 118.45 1u70 n PHE 147 Ca 0.03 -0.59 -0.26 0.00 1.01 0.00 0.00 57.45 57.64 1u70 n PHE 147 Cb 0.55 0.04 -0.16 0.00 -0.01 0.00 0.00 39.48 39.90 1u70 n PHE 147 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1u70 s PHE 148 N -2.12 1.69 0.47 1.38 5.36 -0.97 -4.73 117.98 119.05 1u70 s PHE 148 Ca 0.07 -0.53 -0.21 0.00 -0.96 0.00 0.00 56.93 55.30 1u70 s PHE 148 Cb 0.00 -1.16 -0.12 0.00 -0.34 0.00 0.00 43.02 41.41 1u70 s PHE 148 CO 0.05 -0.21 0.47 -2.30 -1.46 0.00 0.00 175.22 171.78 1u70 n PRO 149 N 3.33 0.50 -2.49 10.12 -0.02 -1.26 -4.92 135.00 140.26 1u70 n PRO 149 Ca -0.19 0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.12 1u70 n PRO 149 Cb 0.53 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.47 1u70 n PRO 149 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1u70 s GLU 150 N -1.66 3.84 -0.44 -0.52 4.04 -1.26 -5.00 118.70 117.71 1u70 s GLU 150 Ca 0.64 1.47 -0.16 0.00 0.04 0.00 0.00 54.97 56.96 1u70 s GLU 150 Cb -0.55 -2.23 0.04 0.00 0.02 0.00 0.00 34.13 31.42 1u70 s GLU 150 CO 0.58 -0.41 0.37 0.42 -1.84 0.00 0.00 175.26 174.38 1u70 s ILE 151 N -1.83 5.22 -0.45 1.83 1.01 -1.26 -5.02 121.20 120.69 1u70 s ILE 151 Ca 0.65 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 60.23 1u70 s ILE 151 Cb -0.20 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1u70 s ILE 151 CO 0.24 -0.46 1.80 -0.62 0.00 0.00 0.00 174.94 175.90 1u70 s ASP 152 N 2.13 5.66 0.00 3.58 3.68 -1.26 -4.81 116.67 125.65 1u70 s ASP 152 Ca 0.06 0.89 0.01 0.00 2.13 0.00 0.00 52.55 55.63 1u70 s ASP 152 Cb -0.21 -2.53 0.04 0.00 -1.45 0.00 0.00 42.92 38.77 1u70 s ASP 152 CO 0.09 -1.97 0.72 0.18 0.13 0.00 0.00 175.17 174.33 1u70 n LEU 153 N 11.22 0.00 -0.01 -1.34 4.77 -1.26 -1.12 117.00 129.26 1u70 n LEU 153 Ca 0.22 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 1u70 n LEU 153 Cb 0.49 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 1u70 n LEU 153 CO 0.70 0.00 -0.64 0.61 -1.33 0.00 0.00 177.39 176.73 1u70 n GLY 154 N 0.20 -0.97 0.09 -0.72 0.00 -1.26 -4.41 105.19 98.12 1u70 n GLY 154 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1u70 n GLY 154 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u70 n LYS 155 N -2.12 0.99 -4.29 1.61 4.81 -0.27 -5.00 118.16 113.88 1u70 n LYS 155 Ca -0.03 0.04 -0.28 0.00 -0.87 0.00 0.00 58.31 57.17 1u70 n LYS 155 Cb 0.52 -1.44 -0.10 0.00 0.02 0.00 0.00 35.03 34.03 1u70 n LYS 155 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1u70 s TYR 156 N -2.42 2.59 -0.02 5.64 1.51 -0.49 -4.65 117.35 119.51 1u70 s TYR 156 Ca -0.16 -0.24 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1u70 s TYR 156 Cb 0.06 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1u70 s TYR 156 CO 0.63 0.45 -0.26 -1.59 -1.11 0.00 0.00 175.55 173.67 1u70 s LYS 157 N -2.48 2.15 -0.12 -0.62 -2.85 -0.43 -4.50 119.74 110.90 1u70 s LYS 157 Ca 0.22 -0.93 -0.29 0.00 -1.00 0.00 0.00 55.97 53.96 1u70 s LYS 157 Cb -0.10 -2.05 -0.01 0.00 -2.06 0.00 0.00 37.83 33.61 1u70 s LYS 157 CO 0.13 0.54 1.09 -1.17 0.10 0.00 0.00 175.35 176.04 1u70 s LEU 158 N -0.56 4.22 -0.26 2.77 1.98 -1.26 -1.14 118.68 124.42 1u70 s LEU 158 Ca 0.09 1.59 -0.29 0.00 -2.89 0.00 0.00 54.13 52.63 1u70 s LEU 158 Cb -0.10 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.21 1u70 s LEU 158 CO -0.01 -0.56 1.05 -0.76 -1.89 0.00 0.00 176.35 174.19 1u70 s LEU 159 N 2.45 4.04 0.32 -0.68 1.43 0.27 -4.90 118.68 121.61 1u70 s LEU 159 Ca 0.50 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 1u70 s LEU 159 Cb -0.20 -3.54 0.70 0.00 0.03 0.00 0.00 46.19 43.19 1u70 s LEU 159 CO 0.16 -0.75 1.84 1.55 0.23 0.00 0.00 176.35 179.38 1u70 h PRO 160 N 7.70 0.80 -3.04 1.29 0.13 -1.94 -3.43 132.00 133.51 1u70 h PRO 160 Ca -0.20 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1u70 h PRO 160 Cb 1.06 -0.18 -0.20 0.00 0.13 0.00 0.00 31.00 31.81 1u70 h PRO 160 CO 1.00 0.53 -0.26 -1.83 -0.23 0.00 0.00 178.00 177.21 1u70 s GLU 161 N -5.81 0.69 -0.05 0.86 -1.05 -1.26 -5.04 118.70 107.04 1u70 s GLU 161 Ca -0.11 -0.22 -0.04 0.00 -0.15 0.00 0.00 54.97 54.45 1u70 s GLU 161 Cb 0.22 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 1u70 s GLU 161 CO 0.80 -0.19 0.13 -0.47 0.95 0.00 0.00 175.26 176.48 1u70 s TYR 162 N -1.46 -0.15 0.39 4.83 5.04 -1.26 -5.11 117.35 119.63 1u70 s TYR 162 Ca -0.13 0.37 -0.27 0.00 -2.44 0.00 0.00 57.07 54.61 1u70 s TYR 162 Cb -0.05 0.02 -0.11 0.00 0.35 0.00 0.00 41.96 42.18 1u70 s TYR 162 CO 0.04 -0.09 1.44 -0.35 -1.34 0.00 0.00 175.55 175.24 1u70 n PRO 163 N 3.27 2.46 -0.39 4.97 -0.04 -1.26 -2.67 135.00 141.33 1u70 n PRO 163 Ca -0.15 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1u70 n PRO 163 Cb 0.58 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1u70 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u70 n GLY 164 N 0.54 2.00 3.40 0.55 0.00 -1.26 -5.00 105.19 105.43 1u70 n GLY 164 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1u70 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u70 s VAL 165 N -3.21 2.78 -0.09 1.61 1.01 -1.09 -5.09 120.40 116.31 1u70 s VAL 165 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1u70 s VAL 165 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1u70 s VAL 165 CO 0.00 0.57 0.15 -0.76 0.00 0.00 0.00 175.10 175.06 1u70 s LEU 166 N -0.36 4.37 0.00 3.92 1.02 -1.26 -4.66 118.68 121.71 1u70 s LEU 166 Ca 0.03 0.44 0.18 0.00 0.02 0.00 0.00 54.13 54.80 1u70 s LEU 166 Cb -0.12 -2.19 0.39 0.00 0.02 0.00 0.00 46.19 44.29 1u70 s LEU 166 CO 0.02 0.37 1.32 -1.54 0.02 0.00 0.00 176.35 176.54 1u70 n SER 167 N 1.74 3.22 -4.83 2.29 3.41 -1.26 -4.44 113.62 113.75 1u70 n SER 167 Ca -0.18 -1.93 -0.33 0.00 -0.26 0.00 0.00 58.87 56.18 1u70 n SER 167 Cb 0.54 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 1u70 n SER 167 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u70 s GLU 168 N -1.16 4.10 0.34 4.33 2.02 -1.26 -4.86 118.70 122.21 1u70 s GLU 168 Ca 0.33 0.99 -0.29 0.00 0.02 0.00 0.00 54.97 56.02 1u70 s GLU 168 Cb 0.18 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 32.10 1u70 s GLU 168 CO 0.25 -0.08 1.46 0.08 0.02 0.00 0.00 175.26 176.99 1u70 s VAL 169 N -2.30 2.25 0.32 2.63 1.01 -1.26 -4.72 120.40 118.33 1u70 s VAL 169 Ca 0.60 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.92 1u70 s VAL 169 Cb -0.09 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1u70 s VAL 169 CO 0.20 0.05 -0.01 -1.10 0.00 0.00 0.00 175.10 174.24 1u70 s GLN 170 N -1.64 2.09 -0.23 2.72 1.11 0.11 -4.97 119.66 118.85 1u70 s GLN 170 Ca 0.54 -1.68 -0.15 0.00 0.01 0.00 0.00 55.36 54.08 1u70 s GLN 170 Cb -0.45 -1.97 0.07 0.00 -1.01 0.00 0.00 33.01 29.65 1u70 s GLN 170 CO 0.57 0.20 0.58 -2.00 0.01 0.00 0.00 175.29 174.65 1u70 s GLU 171 N -3.69 0.61 -0.06 2.91 2.12 -1.26 -1.30 118.70 118.03 1u70 s GLU 171 Ca 0.34 0.98 -0.04 0.00 0.36 0.00 0.00 54.97 56.60 1u70 s GLU 171 Cb -0.02 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.55 1u70 s GLU 171 CO 0.19 -0.13 0.15 -2.00 -0.54 0.00 0.00 175.26 172.93 1u70 s GLU 172 N 1.16 0.14 -1.32 4.30 2.12 -0.57 -4.84 118.70 119.68 1u70 s GLU 172 Ca -0.07 0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.51 1u70 s GLU 172 Cb -0.06 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.32 1u70 s GLU 172 CO -0.11 -0.09 0.30 1.63 -0.54 0.00 0.00 175.26 176.45 1u70 n LYS 173 N 3.59 -3.17 -0.87 4.30 5.02 -1.26 -0.60 118.16 125.16 1u70 n LYS 173 Ca -0.19 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1u70 n LYS 173 Cb 0.56 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 1u70 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u70 n GLY 174 N -1.11 1.12 3.55 0.72 0.00 -1.26 -5.01 105.19 103.20 1u70 n GLY 174 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1u70 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u70 s ILE 175 N -3.70 4.82 0.23 -0.61 1.01 0.23 -5.09 121.20 118.09 1u70 s ILE 175 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1u70 s ILE 175 Cb 0.00 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 1u70 s ILE 175 CO 0.00 0.34 0.60 -0.54 0.00 0.00 0.00 174.94 175.34 1u70 s LYS 176 N 1.33 3.90 0.02 2.79 1.02 -1.26 -1.51 119.74 126.02 1u70 s LYS 176 Ca 0.06 0.43 -0.28 0.00 0.02 0.00 0.00 55.97 56.20 1u70 s LYS 176 Cb -0.15 -2.66 0.10 0.00 -0.52 0.00 0.00 37.83 34.60 1u70 s LYS 176 CO 0.05 0.31 0.83 1.52 -0.92 0.00 0.00 175.35 177.15 1u70 s TYR 177 N -1.78 -0.39 0.00 3.18 -0.85 -0.42 0.32 117.35 117.43 1u70 s TYR 177 Ca 0.47 0.25 -0.13 0.00 -0.52 0.00 0.00 57.07 57.14 1u70 s TYR 177 Cb -0.12 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.78 1u70 s TYR 177 CO 0.20 -0.60 0.27 -1.59 -1.52 0.00 0.00 175.55 172.31 1u70 s LYS 178 N -3.18 0.67 0.02 -3.49 -2.85 -0.50 0.06 119.74 110.46 1u70 s LYS 178 Ca 0.04 -0.32 -0.22 0.00 -1.00 0.00 0.00 55.97 54.47 1u70 s LYS 178 Cb -0.01 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 1u70 s LYS 178 CO -0.09 -0.19 0.64 -0.06 0.10 0.00 0.00 175.35 175.75 1u70 s PHE 179 N -1.68 3.71 0.07 1.78 2.99 -1.26 0.16 117.98 123.75 1u70 s PHE 179 Ca -0.11 1.28 0.03 0.00 0.00 0.00 0.00 56.93 58.13 1u70 s PHE 179 Cb -0.04 -2.66 -0.03 0.00 0.00 0.00 0.00 43.02 40.29 1u70 s PHE 179 CO 0.02 0.35 -0.10 -1.21 -0.00 0.00 0.00 175.22 174.28 1u70 s GLU 180 N -0.23 0.74 -0.06 0.44 2.02 0.81 -4.77 118.70 117.65 1u70 s GLU 180 Ca 0.33 -1.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 1u70 s GLU 180 Cb -0.19 -0.48 0.03 0.00 0.10 0.00 0.00 34.13 33.59 1u70 s GLU 180 CO 0.19 0.08 -0.02 0.08 0.02 0.00 0.00 175.26 175.61 1u70 s VAL 181 N -1.99 0.45 0.21 2.63 1.01 -1.26 -0.80 120.40 120.65 1u70 s VAL 181 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1u70 s VAL 181 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1u70 s VAL 181 CO 0.00 0.24 -0.09 -0.31 0.00 0.00 0.00 175.10 174.94 1u70 s TYR 182 N 1.43 2.60 -0.01 5.22 1.51 -0.02 -0.56 117.35 127.53 1u70 s TYR 182 Ca -0.03 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1u70 s TYR 182 Cb -0.13 -1.23 -0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1u70 s TYR 182 CO -0.03 0.56 0.06 -2.00 -1.11 0.00 0.00 175.55 173.03 1u70 s GLU 183 N -3.11 0.27 -0.02 -0.62 2.12 -0.29 -1.19 118.70 115.87 1u70 s GLU 183 Ca 0.27 -0.25 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 1u70 s GLU 183 Cb -0.08 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.43 1u70 s GLU 183 CO 0.16 -0.05 0.05 0.21 -0.54 0.00 0.00 175.26 175.08 1u70 s LYS 184 N -0.82 0.05 -0.28 4.30 2.20 0.14 -1.31 119.74 124.02 1u70 s LYS 184 Ca -0.09 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1u70 s LYS 184 Cb -0.05 0.00 0.12 0.00 -1.51 0.00 0.00 37.83 36.39 1u70 s LYS 184 CO 0.00 -0.02 0.23 0.21 -0.36 0.00 0.00 175.35 175.42 1u70 s LYS 185 N 0.11 0.27 0.00 4.03 2.36 -1.26 0.76 119.74 126.00 1u70 s LYS 185 Ca -0.01 -0.22 0.00 0.00 -2.55 0.00 0.00 55.97 53.19 1u70 s LYS 185 Cb -0.01 -0.88 0.00 0.00 -1.05 0.00 0.00 37.83 35.89 1u70 s LYS 185 CO -0.00 -0.98 0.00 -0.40 1.55 0.00 0.00 175.35 175.51