#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dr4 h ARG 2 N 0.00 0.98 -1.79 7.34 -0.00 -1.99 -3.47 114.38 115.45 1dr4 h ARG 2 Ca 0.00 -0.27 0.01 0.00 -0.00 0.00 0.00 59.98 59.72 1dr4 h ARG 2 Cb 0.00 -0.11 -0.21 0.00 -0.00 0.00 0.00 29.97 29.65 1dr4 h ARG 2 CO 0.00 0.93 0.37 -1.54 -0.00 0.00 0.00 179.97 179.72 1dr4 s SER 3 N -6.37 -0.52 0.31 0.08 1.04 -1.26 -4.08 113.70 102.91 1dr4 s SER 3 Ca -0.12 0.56 0.06 0.00 0.48 0.00 0.00 55.95 56.93 1dr4 s SER 3 Cb 0.13 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1dr4 s SER 3 CO 0.83 -0.48 0.41 -0.76 0.98 0.00 0.00 173.24 174.22 1dr4 s LEU 4 N -1.17 4.00 -0.00 2.42 1.43 0.46 -4.72 118.68 121.09 1dr4 s LEU 4 Ca -0.06 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1dr4 s LEU 4 Cb -0.00 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 1dr4 s LEU 4 CO 0.06 -0.32 -0.09 0.20 0.23 0.00 0.00 176.35 176.43 1dr4 s ASN 5 N -4.09 1.05 0.06 2.29 0.01 -0.89 -2.20 114.94 111.17 1dr4 s ASN 5 Ca 0.41 -0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.44 1dr4 s ASN 5 Cb -0.09 -0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.44 1dr4 s ASN 5 CO 0.30 0.10 -0.15 -0.44 -1.51 0.00 0.00 177.10 175.39 1dr4 s SER 6 N -0.28 1.80 -0.01 -1.22 0.01 -0.01 0.11 113.70 114.09 1dr4 s SER 6 Ca 0.03 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 1dr4 s SER 6 Cb -0.04 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1dr4 s SER 6 CO -0.00 -0.01 0.02 -0.51 0.41 0.00 0.00 173.24 173.15 1dr4 s ILE 7 N -1.07 -0.02 0.07 1.44 2.07 -0.76 -0.01 121.20 122.93 1dr4 s ILE 7 Ca 0.01 0.08 -0.20 0.00 -1.41 0.00 0.00 60.65 59.12 1dr4 s ILE 7 Cb -0.09 -0.05 0.05 0.00 0.13 0.00 0.00 42.46 42.50 1dr4 s ILE 7 CO 0.02 0.03 0.49 0.54 -1.91 0.00 0.00 174.94 174.11 1dr4 s VAL 8 N 0.39 0.04 -0.14 4.00 0.11 0.25 -4.57 120.40 120.48 1dr4 s VAL 8 Ca -0.03 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1dr4 s VAL 8 Cb -0.05 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1dr4 s VAL 8 CO -0.01 -0.18 -0.16 0.00 -3.33 0.00 0.00 175.10 171.42 1dr4 s ALA 9 N -2.87 2.48 0.16 1.54 0.00 -1.26 -1.11 121.76 120.70 1dr4 s ALA 9 Ca -0.03 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1dr4 s ALA 9 Cb -0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1dr4 s ALA 9 CO -0.05 0.11 -0.16 0.14 0.00 0.00 0.00 175.76 175.80 1dr4 s VAL 10 N 0.59 1.63 0.30 0.00 -7.23 0.68 -4.68 120.40 111.69 1dr4 s VAL 10 Ca -0.09 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1dr4 s VAL 10 Cb -0.16 -1.80 0.05 0.00 0.56 0.00 0.00 36.38 35.03 1dr4 s VAL 10 CO 0.03 -0.43 0.41 0.00 -0.31 0.00 0.00 175.10 174.80 1dr4 h GLN 12 N 0.00 0.54 -0.79 0.00 4.20 -1.25 0.38 115.11 118.20 1dr4 h GLN 12 Ca -0.14 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.27 1dr4 h GLN 12 Cb 0.65 -0.12 -0.16 0.00 0.30 0.00 0.00 27.48 28.14 1dr4 h GLN 12 CO 0.20 0.36 0.34 0.27 -0.67 0.00 0.00 178.83 179.33 1dr4 n ASN 13 N -4.55 4.69 -1.75 1.46 2.04 -1.26 -4.88 115.26 111.00 1dr4 n ASN 13 Ca 0.18 -3.29 -0.17 0.00 -0.44 0.00 0.00 54.58 50.86 1dr4 n ASN 13 Cb 0.58 -0.77 -0.03 0.00 -2.53 0.00 0.00 39.78 37.03 1dr4 n ASN 13 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1dr4 n MET 14 N -0.32 -1.31 -2.95 -3.83 2.81 0.12 -4.93 117.12 106.72 1dr4 n MET 14 Ca 0.44 0.91 -0.34 0.00 -1.81 0.00 0.00 57.70 56.91 1dr4 n MET 14 Cb 1.45 -5.29 -0.07 0.00 -0.71 0.00 0.00 33.22 28.60 1dr4 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dr4 s GLY 15 N -2.41 2.44 0.00 3.03 0.00 -1.26 -1.45 107.32 107.68 1dr4 s GLY 15 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1dr4 s GLY 15 CO 0.00 0.56 0.24 0.29 0.00 0.00 0.00 173.10 174.19 1dr4 n ILE 16 N -0.28 0.00 -3.62 0.90 -5.35 0.74 -2.23 119.36 109.51 1dr4 n ILE 16 Ca 0.04 -0.39 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 1dr4 n ILE 16 Cb 0.53 1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 39.56 1dr4 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1dr4 s GLY 17 N -0.29 -0.35 -0.20 3.28 0.00 -1.18 -4.52 107.32 104.06 1dr4 s GLY 17 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 45.54 1dr4 s GLY 17 CO 0.00 0.26 0.48 1.25 0.00 0.00 0.00 173.10 175.10 1dr4 s LYS 18 N -2.70 0.46 -1.47 2.90 2.20 0.22 -0.72 119.74 120.64 1dr4 s LYS 18 Ca 0.11 0.94 -0.11 0.00 -0.36 0.00 0.00 55.97 56.55 1dr4 s LYS 18 Cb 0.01 0.08 0.05 0.00 -1.51 0.00 0.00 37.83 36.46 1dr4 s LYS 18 CO -0.04 -0.17 0.93 -0.25 -0.36 0.00 0.00 175.35 175.46 1dr4 n ASP 19 N 4.44 -5.36 0.00 1.43 8.00 -1.26 -1.76 116.55 122.04 1dr4 n ASP 19 Ca -0.21 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1dr4 n ASP 19 Cb 0.55 -4.28 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1dr4 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dr4 n GLY 20 N -1.70 0.82 0.00 0.44 0.00 -1.26 -4.99 105.19 98.50 1dr4 n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dr4 n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dr4 n ASN 21 N 0.00 0.07 -4.78 1.61 5.15 -0.72 -4.69 115.26 111.90 1dr4 n ASN 21 Ca 0.00 -0.98 -0.37 0.00 -0.60 0.00 0.00 54.58 52.64 1dr4 n ASN 21 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1dr4 n ASN 21 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1dr4 s LEU 22 N 0.00 4.25 0.55 1.20 1.43 -1.26 0.72 118.68 125.57 1dr4 s LEU 22 Ca 0.00 1.89 0.34 0.00 -1.03 0.00 0.00 54.13 55.33 1dr4 s LEU 22 Cb 0.00 -4.10 1.41 0.00 0.03 0.00 0.00 46.19 43.53 1dr4 s LEU 22 CO 0.00 -0.21 2.00 1.55 0.23 0.00 0.00 176.35 179.92 1dr4 h PRO 23 N 2.89 0.00 -6.39 1.29 0.13 -1.84 -3.42 132.00 124.66 1dr4 h PRO 23 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 1dr4 h PRO 23 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1dr4 h PRO 23 CO 0.64 0.00 -0.69 1.67 -0.23 0.00 0.00 178.00 179.39 1dr4 s TRP 24 N -3.68 2.72 1.41 1.56 -2.14 -1.26 -4.76 118.94 112.79 1dr4 s TRP 24 Ca 0.01 -0.19 -0.23 0.00 2.66 0.00 0.00 56.10 58.36 1dr4 s TRP 24 Cb 0.09 -1.32 0.36 0.00 -3.10 0.00 0.00 33.47 29.50 1dr4 s TRP 24 CO 0.53 0.52 0.94 -2.14 -2.66 0.00 0.00 176.95 174.15 1dr4 s PRO 25 N -2.92 -2.83 0.17 3.25 0.02 -1.26 -4.87 135.00 126.56 1dr4 s PRO 25 Ca 0.26 0.12 -0.30 0.00 0.02 0.00 0.00 61.00 61.10 1dr4 s PRO 25 Cb -0.09 -1.39 -0.08 0.00 0.02 0.00 0.00 34.50 32.96 1dr4 s PRO 25 CO 0.17 -4.81 1.32 -2.14 -0.33 0.00 0.00 177.00 171.21 1dr4 s PRO 26 N -5.10 4.38 -0.43 5.54 0.02 -1.26 -5.00 135.00 133.15 1dr4 s PRO 26 Ca 0.69 2.05 -0.05 0.00 0.02 0.00 0.00 61.00 63.71 1dr4 s PRO 26 Cb -0.13 -3.21 0.11 0.00 0.02 0.00 0.00 34.50 31.29 1dr4 s PRO 26 CO 0.58 -0.29 0.25 -0.51 -0.33 0.00 0.00 177.00 176.69 1dr4 s LEU 27 N 0.20 5.39 0.12 -5.54 1.43 -1.26 -5.01 118.68 114.01 1dr4 s LEU 27 Ca 0.58 -2.00 -0.33 0.00 -1.03 0.00 0.00 54.13 51.36 1dr4 s LEU 27 Cb -0.36 -1.88 -0.12 0.00 0.03 0.00 0.00 46.19 43.86 1dr4 s LEU 27 CO 0.36 -0.59 1.56 -0.09 0.23 0.00 0.00 176.35 177.83 1dr4 h ARG 28 N 8.17 -0.62 -0.59 1.70 2.43 -1.99 -1.14 114.38 122.34 1dr4 h ARG 28 Ca -0.15 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1dr4 h ARG 28 Cb 1.05 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1dr4 h ARG 28 CO 0.75 -0.41 0.37 -0.91 -1.51 0.00 0.00 179.97 178.25 1dr4 h ASN 29 N -0.64 0.61 -0.68 -3.80 2.35 -1.99 -0.56 115.58 110.87 1dr4 h ASN 29 Ca 0.03 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1dr4 h ASN 29 Cb 0.70 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1dr4 h ASN 29 CO -0.35 0.43 0.34 -0.08 -1.65 0.00 0.00 177.43 176.12 1dr4 h GLU 30 N 0.73 0.97 -0.83 0.81 4.22 -1.96 -1.67 114.58 116.85 1dr4 h GLU 30 Ca 0.23 -0.13 -0.04 0.00 0.08 0.00 0.00 59.36 59.50 1dr4 h GLU 30 Cb -0.00 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1dr4 h GLU 30 CO -0.09 0.76 0.36 -0.92 -2.18 0.00 0.00 179.01 176.94 1dr4 h TYR 31 N 0.94 1.23 -0.01 0.92 3.20 -0.56 -1.91 116.97 120.78 1dr4 h TYR 31 Ca 0.24 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1dr4 h TYR 31 Cb 0.09 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1dr4 h TYR 31 CO 0.00 0.91 -0.43 0.87 -1.64 0.00 0.00 178.16 177.87 1dr4 h LYS 32 N 1.19 0.02 -0.29 1.82 1.57 -0.76 -1.52 116.57 118.60 1dr4 h LYS 32 Ca 0.28 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1dr4 h LYS 32 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1dr4 h LYS 32 CO -0.03 0.45 0.05 -0.92 -0.57 0.00 0.00 179.45 178.43 1dr4 h TYR 33 N 0.02 0.51 -0.30 -1.35 3.20 -0.57 -0.20 116.97 118.28 1dr4 h TYR 33 Ca -0.00 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 1dr4 h TYR 33 Cb 0.77 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1dr4 h TYR 33 CO 0.00 0.57 0.13 0.35 -1.64 0.00 0.00 178.16 177.57 1dr4 h PHE 34 N 0.30 0.46 0.62 -3.82 3.04 -0.91 0.14 116.94 116.77 1dr4 h PHE 34 Ca 0.09 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1dr4 h PHE 34 Cb 0.34 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 1dr4 h PHE 34 CO 0.02 0.44 -0.39 1.96 -2.02 0.00 0.00 178.31 178.32 1dr4 h GLN 35 N 0.35 -0.92 -0.18 1.11 1.08 -1.22 -0.72 115.11 114.61 1dr4 h GLN 35 Ca 0.10 0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1dr4 h GLN 35 Cb 0.17 0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1dr4 h GLN 35 CO -0.01 -0.61 -0.09 -0.09 -0.95 0.00 0.00 178.83 177.07 1dr4 h ARG 36 N -0.96 -0.08 0.09 1.46 2.43 -0.86 0.16 114.38 116.63 1dr4 h ARG 36 Ca -0.08 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1dr4 h ARG 36 Cb 0.77 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1dr4 h ARG 36 CO 0.08 -0.05 -0.06 0.52 -1.51 0.00 0.00 179.97 178.94 1dr4 h MET 37 N -0.08 -0.15 0.00 0.20 2.86 -0.91 -2.27 114.93 114.57 1dr4 h MET 37 Ca 0.10 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1dr4 h MET 37 Cb 0.23 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1dr4 h MET 37 CO -0.24 -0.10 -0.58 1.79 1.06 0.00 0.00 176.91 178.84 1dr4 h THR 38 N -0.16 1.32 0.00 2.22 1.35 -0.77 -3.32 112.91 113.55 1dr4 h THR 38 Ca -0.00 -2.06 -0.19 0.00 -0.55 0.00 0.00 66.41 63.61 1dr4 h THR 38 Cb 0.14 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 1dr4 h THR 38 CO 0.00 0.57 -1.05 0.28 -0.25 0.00 0.00 175.52 175.07 1dr4 h SER 39 N 0.00 0.00 -3.63 5.36 0.02 -0.64 -3.43 113.55 111.23 1dr4 h SER 39 Ca -0.01 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.34 1dr4 h SER 39 Cb 1.09 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.53 1dr4 h SER 39 CO 0.08 0.78 0.57 -0.89 -1.14 0.00 0.00 176.83 176.23 1dr4 s THR 40 N -2.80 4.47 0.14 -2.27 2.01 -0.86 -4.66 115.64 111.67 1dr4 s THR 40 Ca 0.00 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.73 1dr4 s THR 40 Cb 0.09 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1dr4 s THR 40 CO 0.80 -0.85 0.22 -0.55 -0.69 0.00 0.00 174.62 173.55 1dr4 s SER 41 N 2.30 6.07 -0.55 3.53 0.15 -1.26 -4.98 113.70 118.95 1dr4 s SER 41 Ca 0.36 0.09 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1dr4 s SER 41 Cb -0.10 -1.76 0.41 0.00 -1.71 0.00 0.00 66.02 62.85 1dr4 s SER 41 CO 0.26 0.08 1.46 1.41 1.20 0.00 0.00 173.24 177.65 1dr4 n HIS 42 N -0.30 3.18 -3.62 3.44 -0.00 -1.26 -4.92 115.22 111.74 1dr4 n HIS 42 Ca -0.07 -2.75 -0.01 0.00 -0.00 0.00 0.00 57.72 54.89 1dr4 n HIS 42 Cb 0.54 -0.55 -0.04 0.00 -0.00 0.00 0.00 29.99 29.94 1dr4 n HIS 42 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1dr4 s VAL 43 N -5.21 -0.97 0.31 1.59 1.01 -1.26 -5.13 120.40 110.74 1dr4 s VAL 43 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1dr4 s VAL 43 Cb 0.42 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 1dr4 s VAL 43 CO -0.20 0.00 1.42 -1.83 0.00 0.00 0.00 175.10 174.49 1dr4 s GLU 44 N 2.87 4.24 0.00 2.72 -1.05 -1.26 -2.29 118.70 123.93 1dr4 s GLU 44 Ca -0.05 2.36 0.00 0.00 -0.15 0.00 0.00 54.97 57.13 1dr4 s GLU 44 Cb -0.12 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 1dr4 s GLU 44 CO -0.19 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.04 1dr4 n GLY 45 N 1.37 0.76 3.50 -3.83 0.00 -1.26 -5.05 105.19 100.69 1dr4 n GLY 45 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1dr4 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dr4 s LYS 46 N -0.46 1.80 0.27 1.61 1.02 -0.97 -4.86 119.74 118.15 1dr4 s LYS 46 Ca 0.00 -1.53 0.09 0.00 0.02 0.00 0.00 55.97 54.54 1dr4 s LYS 46 Cb 0.00 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1dr4 s LYS 46 CO 0.00 0.38 -0.12 -0.65 -0.92 0.00 0.00 175.35 174.04 1dr4 s GLN 47 N -3.11 1.58 0.36 1.68 -0.21 -0.51 -4.84 119.66 114.60 1dr4 s GLN 47 Ca 0.26 -1.76 -0.04 0.00 0.02 0.00 0.00 55.36 53.84 1dr4 s GLN 47 Cb -0.07 -1.41 -0.05 0.00 1.00 0.00 0.00 33.01 32.49 1dr4 s GLN 47 CO 0.14 0.17 0.63 -0.80 -2.12 0.00 0.00 175.29 173.30 1dr4 s ASN 48 N -3.46 6.38 -0.04 5.90 0.01 -1.26 -1.05 114.94 121.42 1dr4 s ASN 48 Ca 0.28 0.75 0.01 0.00 -0.71 0.00 0.00 52.86 53.19 1dr4 s ASN 48 Cb 0.00 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 1dr4 s ASN 48 CO 0.12 -0.32 -0.04 0.00 -1.51 0.00 0.00 177.10 175.35 1dr4 s ALA 49 N -2.31 3.09 -0.10 0.60 0.00 0.18 -1.14 121.76 122.08 1dr4 s ALA 49 Ca 0.45 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1dr4 s ALA 49 Cb -0.10 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 1dr4 s ALA 49 CO 0.35 0.60 -0.24 0.14 0.00 0.00 0.00 175.76 176.61 1dr4 s VAL 50 N -0.93 2.07 -0.05 0.00 -7.23 0.14 0.15 120.40 114.55 1dr4 s VAL 50 Ca 0.15 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1dr4 s VAL 50 Cb -0.11 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1dr4 s VAL 50 CO 0.05 0.56 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.66 1dr4 s ILE 51 N 0.31 3.34 0.09 -0.62 1.01 0.31 -1.22 121.20 124.42 1dr4 s ILE 51 Ca -0.18 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 1dr4 s ILE 51 Cb -0.18 -2.34 0.05 0.00 0.01 0.00 0.00 42.46 40.00 1dr4 s ILE 51 CO 0.09 0.58 0.48 0.00 0.00 0.00 0.00 174.94 176.09 1dr4 s MET 52 N -0.80 1.07 0.90 2.79 0.23 -0.68 -1.70 119.30 121.11 1dr4 s MET 52 Ca 0.12 -0.44 -0.14 0.00 -1.03 0.00 0.00 55.69 54.20 1dr4 s MET 52 Cb -0.11 0.48 0.15 0.00 -1.53 0.00 0.00 34.83 33.82 1dr4 s MET 52 CO 0.01 -0.41 1.24 0.20 -2.03 0.00 0.00 175.02 174.03 1dr4 s GLY 53 N -2.37 1.68 0.02 3.16 0.00 0.21 -0.51 107.32 109.52 1dr4 s GLY 53 Ca -0.02 -0.91 -0.24 0.00 0.00 0.00 0.00 44.72 43.56 1dr4 s GLY 53 CO -0.07 -0.27 1.41 1.70 0.00 0.00 0.00 173.10 175.87 1dr4 h LYS 54 N -1.43 0.09 -0.62 2.90 3.64 -1.88 -2.46 116.57 116.81 1dr4 h LYS 54 Ca -0.46 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1dr4 h LYS 54 Cb 1.28 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1dr4 h LYS 54 CO 0.51 0.42 0.41 0.87 -2.27 0.00 0.00 179.45 179.40 1dr4 h LYS 55 N -0.25 0.82 -0.87 1.90 1.57 -1.95 -1.18 116.57 116.61 1dr4 h LYS 55 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dr4 h LYS 55 Cb 0.39 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1dr4 h LYS 55 CO 0.00 0.54 0.55 1.15 -0.57 0.00 0.00 179.45 181.13 1dr4 h THR 56 N 0.84 1.24 -0.20 -0.16 2.02 -1.87 0.51 112.91 115.29 1dr4 h THR 56 Ca 0.23 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1dr4 h THR 56 Cb -0.09 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.29 1dr4 h THR 56 CO -0.05 0.24 0.10 -0.25 0.37 0.00 0.00 175.52 175.93 1dr4 h TRP 57 N 1.20 0.28 0.00 3.16 2.91 -0.94 -1.99 115.95 120.57 1dr4 h TRP 57 Ca 0.32 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.33 1dr4 h TRP 57 Cb -0.09 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.47 1dr4 h TRP 57 CO -0.00 0.28 0.00 0.74 -1.03 0.00 0.00 178.44 178.43 1dr4 h PHE 58 N 0.20 0.00 0.00 2.65 0.04 -0.86 -2.25 116.94 116.72 1dr4 h PHE 58 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1dr4 h PHE 58 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1dr4 h PHE 58 CO -0.03 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.34 1dr4 h SER 59 N 0.00 0.00 -3.37 2.17 4.64 -0.11 -3.42 113.55 113.45 1dr4 h SER 59 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1dr4 h SER 59 Cb 0.43 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 1dr4 h SER 59 CO 0.00 0.00 0.10 -0.63 -0.87 0.00 0.00 176.83 175.43 1dr4 s ILE 60 N -3.51 4.92 0.09 0.95 1.01 -0.85 -4.98 121.20 118.84 1dr4 s ILE 60 Ca 0.02 1.48 -0.36 0.00 0.00 0.00 0.00 60.65 61.79 1dr4 s ILE 60 Cb 0.09 -4.05 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 1dr4 s ILE 60 CO 0.45 0.31 1.24 -2.65 0.00 0.00 0.00 174.94 174.30 1dr4 n PRO 61 N 3.31 0.93 -0.27 2.79 -0.02 -1.26 -4.84 135.00 135.64 1dr4 n PRO 61 Ca -0.02 0.33 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1dr4 n PRO 61 Cb 0.51 -1.91 0.21 0.00 -0.02 0.00 0.00 33.50 32.29 1dr4 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1dr4 h GLU 62 N 3.98 0.42 0.00 -0.52 4.81 -1.93 0.16 114.58 121.49 1dr4 h GLU 62 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1dr4 h GLU 62 Cb 1.36 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1dr4 h GLU 62 CO 0.74 0.28 0.00 0.87 -0.73 0.00 0.00 179.01 180.16 1dr4 h LYS 63 N 0.43 0.00 -0.67 1.92 1.79 -2.03 -2.72 116.57 115.29 1dr4 h LYS 63 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1dr4 h LYS 63 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1dr4 h LYS 63 CO -0.44 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.02 1dr4 n ASN 64 N -2.63 4.85 -4.74 0.86 3.02 0.54 -4.93 115.26 112.23 1dr4 n ASN 64 Ca 0.00 -2.45 -0.36 0.00 -0.03 0.00 0.00 54.58 51.75 1dr4 n ASN 64 Cb 0.20 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 1dr4 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dr4 s ARG 65 N -1.85 3.24 0.69 3.52 0.52 -1.03 -4.07 118.95 119.97 1dr4 s ARG 65 Ca 0.52 -0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 55.38 1dr4 s ARG 65 Cb 0.34 -2.97 0.08 0.00 0.52 0.00 0.00 34.95 32.92 1dr4 s ARG 65 CO 0.25 0.69 0.98 -1.25 0.02 0.00 0.00 175.30 175.99 1dr4 s PRO 66 N -0.81 2.05 -0.26 3.54 0.04 -1.26 -4.93 135.00 133.37 1dr4 s PRO 66 Ca 0.13 -0.57 -0.33 0.00 0.04 0.00 0.00 61.00 60.27 1dr4 s PRO 66 Cb -0.12 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 1dr4 s PRO 66 CO 0.03 -1.25 2.11 1.28 0.04 0.00 0.00 177.00 179.21 1dr4 n LEU 67 N -2.83 2.72 -4.57 -3.56 4.77 -1.26 -4.79 117.00 107.48 1dr4 n LEU 67 Ca 0.10 0.51 -0.47 0.00 -0.03 0.00 0.00 56.01 56.12 1dr4 n LEU 67 Cb 0.60 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 1dr4 n LEU 67 CO 0.48 -0.56 0.58 1.17 -1.33 0.00 0.00 177.39 177.73 1dr4 n LYS 68 N 7.90 1.14 -1.18 3.23 4.81 -1.26 -2.67 118.16 130.12 1dr4 n LYS 68 Ca 0.34 0.40 -0.06 0.00 -0.87 0.00 0.00 58.31 58.12 1dr4 n LYS 68 Cb 0.29 -1.79 -0.03 0.00 0.02 0.00 0.00 35.03 33.53 1dr4 n LYS 68 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dr4 n ASP 69 N 1.64 -4.65 -4.10 3.14 8.00 -1.26 -4.97 116.55 114.35 1dr4 n ASP 69 Ca 0.13 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.67 1dr4 n ASP 69 Cb 0.28 -2.70 -0.11 0.00 -0.02 0.00 0.00 41.12 38.57 1dr4 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1dr4 s ARG 70 N -2.12 0.63 -0.39 -1.24 0.52 -1.09 -4.36 118.95 110.89 1dr4 s ARG 70 Ca 0.00 -0.99 -0.24 0.00 -0.52 0.00 0.00 55.73 53.98 1dr4 s ARG 70 Cb 0.00 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1dr4 s ARG 70 CO 0.00 0.01 0.82 0.42 0.02 0.00 0.00 175.30 176.57 1dr4 s ILE 71 N -2.37 4.66 -0.30 1.52 1.01 -0.30 -4.79 121.20 120.64 1dr4 s ILE 71 Ca -0.01 0.84 -0.24 0.00 0.00 0.00 0.00 60.65 61.23 1dr4 s ILE 71 Cb -0.03 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1dr4 s ILE 71 CO -0.02 -0.55 0.82 0.20 0.00 0.00 0.00 174.94 175.39 1dr4 s ASN 72 N 1.95 6.71 -0.15 3.58 0.02 -1.26 -0.68 114.94 125.11 1dr4 s ASN 72 Ca 0.33 0.76 0.01 0.00 -1.02 0.00 0.00 52.86 52.93 1dr4 s ASN 72 Cb -0.12 -2.42 0.00 0.00 0.02 0.00 0.00 41.25 38.72 1dr4 s ASN 72 CO 0.19 -0.62 -0.17 -0.63 0.02 0.00 0.00 177.10 175.90 1dr4 s ILE 73 N 3.00 2.53 -0.04 0.60 1.01 -0.35 -0.98 121.20 126.96 1dr4 s ILE 73 Ca 0.34 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1dr4 s ILE 73 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1dr4 s ILE 73 CO 0.12 0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.96 1dr4 s VAL 74 N 0.82 4.69 -0.07 2.92 1.01 -0.69 -1.68 120.40 127.40 1dr4 s VAL 74 Ca -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1dr4 s VAL 74 Cb -0.15 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1dr4 s VAL 74 CO -0.01 0.44 -0.00 -0.76 0.00 0.00 0.00 175.10 174.77 1dr4 s LEU 75 N -1.45 3.55 -0.27 3.92 1.43 0.34 -1.06 118.68 125.14 1dr4 s LEU 75 Ca 0.20 0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 1dr4 s LEU 75 Cb -0.12 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.37 1dr4 s LEU 75 CO 0.10 0.36 0.99 -0.55 0.23 0.00 0.00 176.35 177.48 1dr4 s SER 76 N -0.99 -0.48 0.02 2.29 0.15 -0.64 -2.98 113.70 111.08 1dr4 s SER 76 Ca 0.14 0.89 0.23 0.00 0.70 0.00 0.00 55.95 57.92 1dr4 s SER 76 Cb -0.11 0.89 0.14 0.00 -1.71 0.00 0.00 66.02 65.23 1dr4 s SER 76 CO 0.04 -0.19 1.13 0.54 1.20 0.00 0.00 173.24 175.96 1dr4 n ARG 77 N 2.12 0.13 -0.12 5.44 1.74 -1.26 -4.15 116.66 120.56 1dr4 n ARG 77 Ca -0.13 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.69 1dr4 n ARG 77 Cb 0.56 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1dr4 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1dr4 n GLU 78 N -1.72 0.61 -1.94 5.56 1.02 -1.26 -5.00 120.64 117.91 1dr4 n GLU 78 Ca 0.04 0.30 -0.37 0.00 -0.02 0.00 0.00 57.16 57.10 1dr4 n GLU 78 Cb 0.38 -1.56 0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1dr4 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dr4 s LEU 79 N -7.38 3.80 -0.13 -4.62 1.43 -1.26 -4.92 118.68 105.60 1dr4 s LEU 79 Ca -0.35 2.55 0.17 0.00 -1.03 0.00 0.00 54.13 55.47 1dr4 s LEU 79 Cb 0.12 -4.40 -0.24 0.00 0.03 0.00 0.00 46.19 41.70 1dr4 s LEU 79 CO 0.54 -1.50 0.30 1.17 0.23 0.00 0.00 176.35 177.10 1dr4 n LYS 80 N -1.17 0.67 -4.13 1.70 3.00 -1.26 -4.96 118.16 112.01 1dr4 n LYS 80 Ca 0.11 0.08 -0.11 0.00 -0.00 0.00 0.00 58.31 58.40 1dr4 n LYS 80 Cb 0.47 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.79 1dr4 n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1dr4 s GLU 81 N -2.60 0.73 0.33 1.64 0.41 -1.26 -5.13 118.70 112.82 1dr4 s GLU 81 Ca -0.08 -1.18 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 1dr4 s GLU 81 Cb 0.07 -0.17 -0.12 0.00 -1.78 0.00 0.00 34.13 32.14 1dr4 s GLU 81 CO 0.83 -0.01 1.50 0.00 -0.49 0.00 0.00 175.26 177.09 1dr4 n ALA 82 N 0.33 2.23 -1.62 5.21 0.00 -1.26 -4.95 120.51 120.46 1dr4 n ALA 82 Ca -0.15 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1dr4 n ALA 82 Cb 0.59 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.67 1dr4 n ALA 82 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1dr4 s PRO 83 N -1.36 2.98 -0.18 0.00 0.02 -1.26 -4.85 135.00 130.35 1dr4 s PRO 83 Ca 0.58 1.53 -0.37 0.00 0.02 0.00 0.00 61.00 62.77 1dr4 s PRO 83 Cb -0.51 -1.96 -0.13 0.00 0.02 0.00 0.00 34.50 31.92 1dr4 s PRO 83 CO 0.57 -1.13 1.85 1.17 -0.33 0.00 0.00 177.00 179.12 1dr4 n LYS 84 N -1.95 1.74 0.00 5.54 3.00 -1.26 -1.60 118.16 123.62 1dr4 n LYS 84 Ca 0.11 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 1dr4 n LYS 84 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 33.11 1dr4 n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dr4 n GLY 85 N 4.43 3.21 3.76 3.14 0.00 -1.26 -4.91 105.19 113.55 1dr4 n GLY 85 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1dr4 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dr4 s ALA 86 N -2.68 2.50 -0.06 4.61 0.00 -0.63 -4.33 121.76 121.18 1dr4 s ALA 86 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1dr4 s ALA 86 Cb 0.00 -3.40 -0.30 0.00 0.00 0.00 0.00 23.12 19.42 1dr4 s ALA 86 CO 0.00 -1.19 0.71 0.45 0.00 0.00 0.00 175.76 175.73 1dr4 h HIS 87 N 0.59 0.64 -3.82 0.00 -0.00 -1.37 -3.45 115.15 107.74 1dr4 h HIS 87 Ca -0.49 -0.47 -0.10 0.00 -0.00 0.00 0.00 60.37 59.31 1dr4 h HIS 87 Cb 1.28 -0.03 -0.15 0.00 -0.00 0.00 0.00 27.41 28.51 1dr4 h HIS 87 CO 0.50 1.57 -0.43 0.71 -0.00 0.00 0.00 177.93 180.28 1dr4 s TYR 88 N -2.53 0.19 -0.02 2.45 1.51 -0.92 -5.04 117.35 112.99 1dr4 s TYR 88 Ca -0.16 -0.58 0.06 0.00 -1.01 0.00 0.00 57.07 55.38 1dr4 s TYR 88 Cb 0.04 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 1dr4 s TYR 88 CO 0.83 -0.48 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.42 1dr4 s LEU 89 N -2.64 2.02 0.02 -1.29 2.96 -1.26 -1.70 118.68 116.77 1dr4 s LEU 89 Ca 0.02 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1dr4 s LEU 89 Cb 0.04 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1dr4 s LEU 89 CO -0.09 0.23 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.73 1dr4 s SER 90 N -0.36 0.19 0.27 3.68 0.01 -0.22 -4.96 113.70 112.31 1dr4 s SER 90 Ca 0.05 -0.42 0.21 0.00 1.31 0.00 0.00 55.95 57.10 1dr4 s SER 90 Cb -0.09 0.11 0.10 0.00 0.21 0.00 0.00 66.02 66.35 1dr4 s SER 90 CO 0.00 -0.29 1.25 0.11 0.41 0.00 0.00 173.24 174.72 1dr4 h LYS 91 N 4.72 0.00 -3.30 12.44 6.56 -1.87 -1.69 116.57 133.43 1dr4 h LYS 91 Ca -0.31 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.29 1dr4 h LYS 91 Cb 1.21 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.80 1dr4 h LYS 91 CO 0.42 0.10 0.07 -1.54 -2.06 0.00 0.00 179.45 176.44 1dr4 s SER 92 N -5.82 -0.16 0.24 0.86 1.04 -1.26 -4.61 113.70 103.99 1dr4 s SER 92 Ca 0.02 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 1dr4 s SER 92 Cb 0.08 0.67 0.28 0.00 0.10 0.00 0.00 66.02 67.15 1dr4 s SER 92 CO 0.75 -1.27 1.75 0.25 0.98 0.00 0.00 173.24 175.70 1dr4 h LEU 93 N 2.11 0.85 0.02 2.42 5.85 -1.99 -0.63 115.31 123.95 1dr4 h LEU 93 Ca -0.23 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.33 1dr4 h LEU 93 Cb 1.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1dr4 h LEU 93 CO 0.29 0.88 -0.26 0.44 -0.34 0.00 0.00 178.44 179.45 1dr4 h ASP 94 N 0.84 -0.77 -0.78 1.25 3.32 -1.99 0.96 116.42 119.25 1dr4 h ASP 94 Ca 0.17 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.40 1dr4 h ASP 94 Cb 0.42 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.21 1dr4 h ASP 94 CO 0.01 -0.33 0.44 0.44 -1.72 0.00 0.00 179.24 178.08 1dr4 h ASP 95 N -0.41 0.63 -0.14 6.45 3.32 -1.81 0.72 116.42 125.17 1dr4 h ASP 95 Ca 0.06 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1dr4 h ASP 95 Cb 0.49 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1dr4 h ASP 95 CO -0.22 0.37 0.07 0.00 -1.72 0.00 0.00 179.24 177.74 1dr4 h ALA 96 N 1.42 0.16 -0.65 3.45 0.00 0.49 0.46 119.26 124.60 1dr4 h ALA 96 Ca 0.37 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1dr4 h ALA 96 Cb 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1dr4 h ALA 96 CO -0.23 -0.37 0.09 -0.07 0.00 0.00 0.00 179.25 178.66 1dr4 h LEU 97 N 0.15 1.04 -0.10 0.00 3.38 0.23 -1.85 115.31 118.15 1dr4 h LEU 97 Ca 0.06 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1dr4 h LEU 97 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1dr4 h LEU 97 CO -0.04 1.04 -0.01 0.00 0.09 0.00 0.00 178.44 179.52 1dr4 h ALA 98 N 1.08 0.08 -0.53 1.53 0.00 -0.57 -1.74 119.26 119.10 1dr4 h ALA 98 Ca 0.20 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1dr4 h ALA 98 Cb 0.46 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1dr4 h ALA 98 CO 0.02 -0.47 0.09 1.25 0.00 0.00 0.00 179.25 180.14 1dr4 h LEU 99 N 0.03 -0.04 -1.17 0.00 5.85 -0.68 -1.18 115.31 118.12 1dr4 h LEU 99 Ca 0.05 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.99 1dr4 h LEU 99 Cb 0.06 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1dr4 h LEU 99 CO -0.09 0.00 0.59 -0.07 -0.34 0.00 0.00 178.44 178.54 1dr4 h LEU 100 N 0.22 0.79 -0.92 2.25 3.38 -0.48 0.72 115.31 121.27 1dr4 h LEU 100 Ca 0.27 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1dr4 h LEU 100 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1dr4 h LEU 100 CO -0.37 0.43 -0.22 0.44 0.09 0.00 0.00 178.44 178.82 1dr4 h ASP 101 N 0.86 0.00 -3.29 -0.43 3.32 -0.64 -2.77 116.42 113.46 1dr4 h ASP 101 Ca 0.45 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.96 1dr4 h ASP 101 Cb 0.53 0.00 0.21 0.00 0.22 0.00 0.00 39.33 40.29 1dr4 h ASP 101 CO -0.21 0.22 -0.63 -1.54 -1.72 0.00 0.00 179.24 175.36 1dr4 n SER 102 N -3.31 -2.20 -0.14 6.45 3.41 0.24 -4.48 113.62 113.59 1dr4 n SER 102 Ca 0.01 0.36 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 1dr4 n SER 102 Cb 0.46 -1.18 -0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1dr4 n SER 102 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1dr4 h PRO 103 N -1.33 0.60 -0.89 4.33 0.11 -1.89 -0.08 132.00 132.84 1dr4 h PRO 103 Ca -0.44 -0.10 0.16 0.00 0.11 0.00 0.00 66.00 65.74 1dr4 h PRO 103 Cb 1.29 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 1dr4 h PRO 103 CO 0.35 0.54 0.48 1.05 -0.21 0.00 0.00 178.00 180.21 1dr4 h GLU 104 N 0.52 0.63 0.00 1.05 9.09 -1.92 -3.26 114.58 120.69 1dr4 h GLU 104 Ca 0.14 -0.04 -0.11 0.00 0.05 0.00 0.00 59.36 59.40 1dr4 h GLU 104 Cb 0.15 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.09 1dr4 h GLU 104 CO -0.02 0.42 -0.88 1.28 0.05 0.00 0.00 179.01 179.86 1dr4 n LEU 105 N -4.85 1.83 -0.05 3.06 4.77 -1.17 -4.37 117.00 116.22 1dr4 n LEU 105 Ca 0.19 0.54 -0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1dr4 n LEU 105 Cb 0.48 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1dr4 n LEU 105 CO 0.21 -0.12 0.07 2.29 -1.33 0.00 0.00 177.39 178.51 1dr4 n LYS 106 N -4.53 -0.04 0.09 3.23 -0.00 -0.05 0.38 118.16 117.24 1dr4 n LYS 106 Ca -0.19 0.20 0.12 0.00 -0.00 0.00 0.00 58.31 58.44 1dr4 n LYS 106 Cb 0.46 -0.30 0.45 0.00 -0.00 0.00 0.00 35.03 35.65 1dr4 n LYS 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1dr4 n SER 107 N -4.18 0.61 -0.11 -5.58 3.41 -1.25 -3.56 113.62 102.96 1dr4 n SER 107 Ca 0.01 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1dr4 n SER 107 Cb 0.05 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.16 1dr4 n SER 107 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1dr4 n LYS 108 N -2.10 0.37 -4.95 4.33 4.81 1.22 -4.86 118.16 116.97 1dr4 n LYS 108 Ca 0.04 -0.21 -0.32 0.00 -0.87 0.00 0.00 58.31 56.95 1dr4 n LYS 108 Cb 0.33 -1.48 -0.17 0.00 0.02 0.00 0.00 35.03 33.74 1dr4 n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1dr4 s VAL 109 N -2.85 2.10 0.00 3.15 1.01 -0.83 -1.42 120.40 121.55 1dr4 s VAL 109 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1dr4 s VAL 109 Cb 0.16 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1dr4 s VAL 109 CO 0.79 0.55 0.00 -0.67 0.00 0.00 0.00 175.10 175.78 1dr4 n ASP 110 N 3.77 0.00 -4.87 3.32 2.03 -0.22 -4.91 116.55 115.68 1dr4 n ASP 110 Ca -0.19 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 1dr4 n ASP 110 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1dr4 n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1dr4 s MET 111 N 0.00 3.29 -0.22 -0.67 1.00 -1.26 -4.96 119.30 116.48 1dr4 s MET 111 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 55.69 55.21 1dr4 s MET 111 Cb 0.00 -2.99 -0.02 0.00 0.00 0.00 0.00 34.83 31.82 1dr4 s MET 111 CO 0.00 0.64 0.01 0.08 0.00 0.00 0.00 175.02 175.75 1dr4 s VAL 112 N -1.35 3.93 -0.07 -6.03 1.01 -1.26 0.47 120.40 117.10 1dr4 s VAL 112 Ca 0.28 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1dr4 s VAL 112 Cb -0.13 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1dr4 s VAL 112 CO 0.20 0.39 -0.18 0.26 0.00 0.00 0.00 175.10 175.78 1dr4 s TRP 113 N 1.35 2.63 -0.25 5.22 0.52 0.12 -2.09 118.94 126.43 1dr4 s TRP 113 Ca 0.04 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.64 1dr4 s TRP 113 Cb -0.15 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.47 1dr4 s TRP 113 CO 0.01 -0.01 0.17 0.42 0.02 0.00 0.00 176.95 177.55 1dr4 s ILE 114 N -0.36 5.34 -0.16 2.03 -1.09 0.29 -0.53 121.20 126.73 1dr4 s ILE 114 Ca 0.03 0.17 0.16 0.00 -2.23 0.00 0.00 60.65 58.79 1dr4 s ILE 114 Cb -0.12 -3.50 0.33 0.00 -1.58 0.00 0.00 42.46 37.59 1dr4 s ILE 114 CO 0.02 0.32 1.18 1.33 -1.23 0.00 0.00 174.94 176.56 1dr4 n VAL 115 N 4.46 2.00 -0.80 2.92 0.24 -0.69 -1.83 118.33 124.63 1dr4 n VAL 115 Ca -0.15 -2.56 0.00 0.00 -2.04 0.00 0.00 64.34 59.59 1dr4 n VAL 115 Cb 0.52 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1dr4 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dr4 n GLY 116 N -1.33 -2.72 0.00 7.63 0.00 -1.26 -4.92 105.19 102.60 1dr4 n GLY 116 Ca 0.17 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1dr4 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dr4 n GLY 117 N -0.42 1.20 0.35 -0.02 0.00 -1.26 -0.62 105.19 104.42 1dr4 n GLY 117 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1dr4 n GLY 117 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dr4 h THR 118 N 0.00 0.00 -0.90 2.61 2.02 -1.98 -1.54 112.91 113.12 1dr4 h THR 118 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1dr4 h THR 118 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1dr4 h THR 118 CO 0.00 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.44 1dr4 h ALA 119 N -0.40 1.30 -0.18 6.16 0.00 -1.96 -0.60 119.26 123.59 1dr4 h ALA 119 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dr4 h ALA 119 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dr4 h ALA 119 CO -0.42 0.20 0.04 0.28 0.00 0.00 0.00 179.25 179.35 1dr4 h VAL 120 N 0.92 1.21 -0.54 0.00 2.07 -1.69 -1.85 116.25 116.38 1dr4 h VAL 120 Ca 0.43 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1dr4 h VAL 120 Cb 0.35 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1dr4 h VAL 120 CO -0.23 0.20 0.29 1.88 0.02 0.00 0.00 177.57 179.73 1dr4 h TYR 121 N 0.09 0.54 0.23 1.57 0.05 -0.96 -0.48 116.97 118.01 1dr4 h TYR 121 Ca 0.05 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.86 1dr4 h TYR 121 Cb 0.28 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1dr4 h TYR 121 CO 0.01 0.28 -0.25 -0.22 -1.05 0.00 0.00 178.16 176.93 1dr4 h LYS 122 N 0.57 -0.51 -0.36 4.88 3.64 -0.97 0.13 116.57 123.96 1dr4 h LYS 122 Ca 0.23 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 1dr4 h LYS 122 Cb 0.10 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 1dr4 h LYS 122 CO -0.14 -0.34 -0.15 0.00 -2.27 0.00 0.00 179.45 176.55 1dr4 h ALA 123 N 0.14 0.13 -0.53 5.00 0.00 -1.17 -1.41 119.26 121.42 1dr4 h ALA 123 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dr4 h ALA 123 Cb 0.50 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1dr4 h ALA 123 CO -0.07 -0.53 0.23 0.00 0.00 0.00 0.00 179.25 178.88 1dr4 h ALA 124 N 1.20 0.68 -0.95 0.00 0.00 -0.76 -2.53 119.26 116.90 1dr4 h ALA 124 Ca 0.18 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1dr4 h ALA 124 Cb 0.36 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1dr4 h ALA 124 CO -0.41 0.27 0.60 0.52 0.00 0.00 0.00 179.25 180.22 1dr4 h MET 125 N 0.71 1.02 0.00 0.00 2.07 -0.05 -2.87 114.93 115.81 1dr4 h MET 125 Ca 0.18 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1dr4 h MET 125 Cb 0.16 -0.23 0.00 0.00 -1.87 0.00 0.00 31.60 29.66 1dr4 h MET 125 CO -0.02 0.68 0.00 0.93 1.07 0.00 0.00 176.91 179.57 1dr4 h GLU 126 N 1.05 0.00 -6.52 1.72 5.08 -0.84 -3.44 114.58 111.63 1dr4 h GLU 126 Ca 0.43 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.25 1dr4 h GLU 126 Cb 0.25 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.54 1dr4 h GLU 126 CO -0.20 0.00 1.08 1.63 -1.00 0.00 0.00 179.01 180.52 1dr4 n LYS 127 N -2.91 2.74 -1.99 2.33 4.76 -1.09 -4.86 118.16 117.14 1dr4 n LYS 127 Ca 0.03 0.99 -0.42 0.00 -2.87 0.00 0.00 58.31 56.04 1dr4 n LYS 127 Cb 0.42 -2.87 0.00 0.00 -1.84 0.00 0.00 35.03 30.74 1dr4 n LYS 127 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1dr4 n PRO 128 N 5.33 3.23 -4.20 1.97 -0.04 -1.26 -4.83 135.00 135.20 1dr4 n PRO 128 Ca 0.18 -3.01 -0.12 0.00 -0.04 0.00 0.00 63.50 60.51 1dr4 n PRO 128 Cb 0.36 -3.11 -0.10 0.00 -0.04 0.00 0.00 33.50 30.61 1dr4 n PRO 128 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1dr4 s ILE 129 N 1.88 0.63 0.18 0.52 2.07 -1.26 -4.97 121.20 120.25 1dr4 s ILE 129 Ca 0.44 -1.95 -0.31 0.00 -1.41 0.00 0.00 60.65 57.41 1dr4 s ILE 129 Cb 0.12 -1.94 -0.10 0.00 0.13 0.00 0.00 42.46 40.68 1dr4 s ILE 129 CO -0.05 -0.64 1.55 0.20 -1.91 0.00 0.00 174.94 174.10 1dr4 s ASN 130 N -3.11 6.58 -0.15 4.50 -0.87 -1.26 -4.64 114.94 115.99 1dr4 s ASN 130 Ca 0.19 2.64 -0.09 0.00 -1.57 0.00 0.00 52.86 54.03 1dr4 s ASN 130 Cb 0.06 -2.60 0.05 0.00 -0.02 0.00 0.00 41.25 38.74 1dr4 s ASN 130 CO 0.00 -0.81 0.37 -2.28 -2.57 0.00 0.00 177.10 171.81 1dr4 s HIS 131 N 0.93 -0.50 -0.13 2.20 2.46 -0.37 -0.41 115.29 119.48 1dr4 s HIS 131 Ca 0.68 1.11 0.01 0.00 0.47 0.00 0.00 55.06 57.34 1dr4 s HIS 131 Cb -0.44 0.19 -0.00 0.00 -0.13 0.00 0.00 32.58 32.20 1dr4 s HIS 131 CO 0.34 -0.29 -0.18 1.03 -2.47 0.00 0.00 174.74 173.17 1dr4 s ARG 132 N 1.08 3.20 -0.24 2.88 0.52 -0.94 0.63 118.95 126.08 1dr4 s ARG 132 Ca -0.07 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1dr4 s ARG 132 Cb -0.07 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.90 1dr4 s ARG 132 CO -0.09 0.12 -0.05 -1.17 0.02 0.00 0.00 175.30 174.13 1dr4 s LEU 133 N 0.54 3.15 -0.45 2.53 2.96 0.72 -0.83 118.68 127.30 1dr4 s LEU 133 Ca -0.11 -0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 52.87 1dr4 s LEU 133 Cb -0.16 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 44.91 1dr4 s LEU 133 CO 0.04 -0.11 0.35 -0.36 -1.32 0.00 0.00 176.35 174.95 1dr4 s PHE 134 N 1.36 3.26 -0.11 5.38 0.40 0.99 -1.14 117.98 128.11 1dr4 s PHE 134 Ca 0.01 -1.01 -0.01 0.00 -0.60 0.00 0.00 56.93 55.33 1dr4 s PHE 134 Cb -0.16 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.33 1dr4 s PHE 134 CO -0.04 -0.77 -0.09 0.08 0.70 0.00 0.00 175.22 175.10 1dr4 s VAL 135 N 1.60 3.47 -0.29 -0.44 1.01 -0.08 -0.58 120.40 125.08 1dr4 s VAL 135 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1dr4 s VAL 135 Cb -0.23 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1dr4 s VAL 135 CO 0.06 0.54 0.13 -0.89 0.00 0.00 0.00 175.10 174.94 1dr4 s THR 136 N -0.07 4.52 -0.52 3.92 2.01 -0.27 -0.24 115.64 124.99 1dr4 s THR 136 Ca -0.00 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1dr4 s THR 136 Cb -0.14 -3.25 0.06 0.00 0.01 0.00 0.00 72.50 69.18 1dr4 s THR 136 CO 0.03 0.14 0.70 -0.13 -0.69 0.00 0.00 174.62 174.67 1dr4 s ARG 137 N 1.61 3.16 -0.33 4.92 0.52 0.37 -0.23 118.95 128.97 1dr4 s ARG 137 Ca 0.05 -0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 54.26 1dr4 s ARG 137 Cb -0.17 -4.10 -0.00 0.00 0.52 0.00 0.00 34.95 31.20 1dr4 s ARG 137 CO 0.06 -1.30 0.67 0.42 0.02 0.00 0.00 175.30 175.16 1dr4 s ILE 138 N 2.92 4.88 -0.52 1.52 1.01 0.16 -1.17 121.20 130.00 1dr4 s ILE 138 Ca 0.18 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.58 1dr4 s ILE 138 Cb -0.18 -4.06 -0.21 0.00 0.01 0.00 0.00 42.46 38.01 1dr4 s ILE 138 CO 0.13 -0.24 3.41 0.18 0.00 0.00 0.00 174.94 178.43 1dr4 n LEU 139 N 6.03 6.37 -3.52 2.97 4.77 -0.35 -3.30 117.00 129.97 1dr4 n LEU 139 Ca -0.00 -3.56 -0.11 0.00 -0.03 0.00 0.00 56.01 52.30 1dr4 n LEU 139 Cb 0.49 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 1dr4 n LEU 139 CO 0.48 1.82 0.32 -1.00 -1.33 0.00 0.00 177.39 177.68 1dr4 s HIS 140 N 1.35 -0.40 -0.16 -1.77 3.76 -1.26 -4.79 115.29 112.01 1dr4 s HIS 140 Ca 0.68 0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 55.71 1dr4 s HIS 140 Cb 0.28 0.46 -0.01 0.00 1.11 0.00 0.00 32.58 34.41 1dr4 s HIS 140 CO -0.02 -0.81 -0.10 -1.21 -0.85 0.00 0.00 174.74 171.75 1dr4 s GLU 141 N -3.78 3.38 0.09 1.40 2.02 -1.26 -1.48 118.70 119.08 1dr4 s GLU 141 Ca 0.02 -0.66 0.08 0.00 0.02 0.00 0.00 54.97 54.43 1dr4 s GLU 141 Cb -0.00 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 1dr4 s GLU 141 CO -0.12 0.06 -0.20 -0.06 0.02 0.00 0.00 175.26 174.96 1dr4 s PHE 142 N 0.77 1.71 0.16 1.61 0.40 -1.26 -5.03 117.98 116.35 1dr4 s PHE 142 Ca -0.04 -0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 1dr4 s PHE 142 Cb -0.15 -0.95 -0.11 0.00 0.51 0.00 0.00 43.02 42.32 1dr4 s PHE 142 CO 0.01 0.18 1.76 -1.83 0.70 0.00 0.00 175.22 176.04 1dr4 s GLU 143 N -1.82 4.14 0.02 0.44 -1.05 -1.26 -4.95 118.70 114.22 1dr4 s GLU 143 Ca 0.05 2.57 0.02 0.00 -0.15 0.00 0.00 54.97 57.47 1dr4 s GLU 143 Cb -0.10 -3.34 -0.01 0.00 -0.44 0.00 0.00 34.13 30.23 1dr4 s GLU 143 CO 0.04 -0.78 -0.07 -1.12 0.95 0.00 0.00 175.26 174.27 1dr4 s SER 144 N 1.95 0.82 0.00 0.83 0.01 -1.26 -4.68 113.70 111.36 1dr4 s SER 144 Ca 0.77 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.79 1dr4 s SER 144 Cb -0.47 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 65.74 1dr4 s SER 144 CO 0.34 -0.04 0.58 -0.90 0.41 0.00 0.00 173.24 173.63 1dr4 n ASP 145 N 2.28 1.20 -4.11 2.44 5.68 0.10 -4.98 116.55 119.16 1dr4 n ASP 145 Ca -0.17 -1.10 -0.17 0.00 -0.50 0.00 0.00 54.79 52.85 1dr4 n ASP 145 Cb 0.56 0.27 -0.13 0.00 -1.14 0.00 0.00 41.12 40.69 1dr4 n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1dr4 s THR 146 N -0.82 0.89 0.06 2.12 2.01 -0.75 -5.00 115.64 114.16 1dr4 s THR 146 Ca 0.06 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1dr4 s THR 146 Cb 0.05 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1dr4 s THR 146 CO 0.12 -0.14 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.50 1dr4 s PHE 147 N -1.03 0.63 0.10 4.92 0.40 -1.26 -0.19 117.98 121.56 1dr4 s PHE 147 Ca -0.02 -0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 55.17 1dr4 s PHE 147 Cb -0.08 -0.40 -0.06 0.00 0.51 0.00 0.00 43.02 42.99 1dr4 s PHE 147 CO 0.01 -0.23 0.94 0.12 0.70 0.00 0.00 175.22 176.77 1dr4 s PHE 148 N -3.03 3.81 0.93 0.36 5.36 -0.52 -4.61 117.98 120.28 1dr4 s PHE 148 Ca 0.02 1.77 -0.11 0.00 -0.96 0.00 0.00 56.93 57.65 1dr4 s PHE 148 Cb 0.01 -3.03 0.15 0.00 -0.34 0.00 0.00 43.02 39.82 1dr4 s PHE 148 CO -0.05 0.22 1.10 -1.25 -1.46 0.00 0.00 175.22 173.78 1dr4 s PRO 149 N -0.02 0.93 0.09 10.12 0.04 -1.26 -4.94 135.00 139.95 1dr4 s PRO 149 Ca 0.46 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 1dr4 s PRO 149 Cb -0.23 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1dr4 s PRO 149 CO 0.29 -2.58 1.42 -1.21 0.04 0.00 0.00 177.00 174.97 1dr4 s GLU 150 N -4.72 4.30 -0.14 4.56 2.02 -1.26 -5.01 118.70 118.44 1dr4 s GLU 150 Ca 0.65 2.09 -0.21 0.00 0.02 0.00 0.00 54.97 57.53 1dr4 s GLU 150 Cb -0.21 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1dr4 s GLU 150 CO 0.59 -0.50 0.63 -1.50 0.02 0.00 0.00 175.26 174.49 1dr4 s ILE 151 N 1.46 5.06 -0.86 -1.63 1.10 -1.26 -5.00 121.20 120.07 1dr4 s ILE 151 Ca 0.66 1.23 -0.25 0.00 -0.51 0.00 0.00 60.65 61.77 1dr4 s ILE 151 Cb -0.37 -3.95 -0.01 0.00 0.15 0.00 0.00 42.46 38.28 1dr4 s ILE 151 CO 0.30 0.19 1.77 -0.62 -2.11 0.00 0.00 174.94 174.46 1dr4 s ASP 152 N 0.97 5.55 0.15 4.50 -1.08 -1.26 -4.80 116.67 120.69 1dr4 s ASP 152 Ca 0.31 -0.64 0.08 0.00 -0.52 0.00 0.00 52.55 51.78 1dr4 s ASP 152 Cb -0.16 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.19 1dr4 s ASP 152 CO 0.13 -2.33 1.19 -1.22 0.52 0.00 0.00 175.17 173.46 1dr4 n TYR 153 N 12.24 0.28 0.12 -5.34 4.01 -1.26 -0.22 117.16 127.00 1dr4 n TYR 153 Ca 0.32 0.15 -0.24 0.00 -0.16 0.00 0.00 57.90 57.97 1dr4 n TYR 153 Cb 0.49 -0.65 -0.15 0.00 -0.31 0.00 0.00 39.34 38.71 1dr4 n TYR 153 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1dr4 h LYS 154 N 0.00 0.51 0.06 -0.72 1.57 -2.02 -3.39 116.57 112.57 1dr4 h LYS 154 Ca 0.00 -0.84 -0.21 0.00 -1.87 0.00 0.00 60.65 57.74 1dr4 h LYS 154 Cb 0.20 0.31 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1dr4 h LYS 154 CO 0.00 1.40 -1.08 -0.44 -0.57 0.00 0.00 179.45 178.76 1dr4 h ASP 155 N 0.05 0.19 -3.20 0.86 3.32 -0.98 -3.43 116.42 113.22 1dr4 h ASP 155 Ca -0.23 -0.78 -0.68 0.00 0.02 0.00 0.00 57.03 55.36 1dr4 h ASP 155 Cb 2.04 -0.06 -0.18 0.00 0.22 0.00 0.00 39.33 41.35 1dr4 h ASP 155 CO 0.25 1.45 0.09 -0.36 -1.72 0.00 0.00 179.24 178.95 1dr4 s PHE 156 N -2.39 3.03 -0.08 4.55 0.40 0.14 -4.09 117.98 119.54 1dr4 s PHE 156 Ca -0.22 -0.56 -0.17 0.00 -0.60 0.00 0.00 56.93 55.37 1dr4 s PHE 156 Cb 0.03 -3.63 -0.05 0.00 0.51 0.00 0.00 43.02 39.89 1dr4 s PHE 156 CO 0.70 -1.08 0.45 0.15 0.70 0.00 0.00 175.22 176.14 1dr4 s LYS 157 N 2.72 4.23 -0.17 0.44 -0.14 -0.60 -4.46 119.74 121.75 1dr4 s LYS 157 Ca 0.15 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.91 1dr4 s LYS 157 Cb -0.19 -3.37 -0.01 0.00 -1.68 0.00 0.00 37.83 32.58 1dr4 s LYS 157 CO 0.12 0.32 1.12 -1.17 -0.76 0.00 0.00 175.35 174.97 1dr4 s LEU 158 N 0.11 4.17 0.48 3.17 2.96 -1.26 0.33 118.68 128.64 1dr4 s LEU 158 Ca 0.25 1.54 -0.21 0.00 -0.22 0.00 0.00 54.13 55.49 1dr4 s LEU 158 Cb -0.16 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 1dr4 s LEU 158 CO 0.11 -0.66 1.06 -0.76 -1.32 0.00 0.00 176.35 174.79 1dr4 s LEU 159 N 3.01 3.89 0.25 -0.68 1.43 0.14 -4.95 118.68 121.77 1dr4 s LEU 159 Ca 0.49 2.00 0.23 0.00 -1.03 0.00 0.00 54.13 55.83 1dr4 s LEU 159 Cb -0.19 -4.48 0.19 0.00 0.03 0.00 0.00 46.19 41.75 1dr4 s LEU 159 CO 0.12 -0.80 1.28 0.71 0.23 0.00 0.00 176.35 177.89 1dr4 h THR 160 N 1.63 0.00 -2.08 5.49 1.35 -1.96 -3.43 112.91 113.91 1dr4 h THR 160 Ca -0.49 -0.87 -0.06 0.00 -0.55 0.00 0.00 66.41 64.43 1dr4 h THR 160 Cb 1.23 1.54 -0.19 0.00 -1.73 0.00 0.00 68.15 69.00 1dr4 h THR 160 CO 0.59 0.00 0.15 -0.70 -0.25 0.00 0.00 175.52 175.31 1dr4 s GLU 161 N -3.27 1.01 -0.14 4.72 2.12 -1.26 -5.07 118.70 116.80 1dr4 s GLU 161 Ca 0.03 0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.54 1dr4 s GLU 161 Cb 0.09 0.48 0.05 0.00 0.26 0.00 0.00 34.13 35.00 1dr4 s GLU 161 CO 0.74 -0.30 0.36 -0.47 -0.54 0.00 0.00 175.26 175.04 1dr4 s TYR 162 N -1.08 -0.46 -0.35 5.30 5.04 -1.26 -5.10 117.35 119.43 1dr4 s TYR 162 Ca -0.10 1.06 -0.37 0.00 -2.44 0.00 0.00 57.07 55.21 1dr4 s TYR 162 Cb -0.01 0.17 -0.13 0.00 0.35 0.00 0.00 41.96 42.34 1dr4 s TYR 162 CO 0.09 -0.26 2.09 -2.30 -1.34 0.00 0.00 175.55 173.83 1dr4 n PRO 163 N 3.66 0.96 -0.56 4.97 -0.02 -1.26 -1.16 135.00 141.58 1dr4 n PRO 163 Ca -0.19 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1dr4 n PRO 163 Cb 0.56 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1dr4 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dr4 n GLY 164 N 6.21 0.71 3.21 -1.23 0.00 -1.26 -5.04 105.19 107.79 1dr4 n GLY 164 Ca 0.40 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 1dr4 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dr4 s VAL 165 N -2.00 3.14 0.40 1.61 1.01 -0.31 -5.08 120.40 119.17 1dr4 s VAL 165 Ca 0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 1dr4 s VAL 165 Cb 0.00 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.53 1dr4 s VAL 165 CO 0.00 -0.00 0.64 -2.65 0.00 0.00 0.00 175.10 173.08 1dr4 n PRO 166 N 4.68 0.69 -0.02 2.72 -0.02 -1.26 -4.67 135.00 137.11 1dr4 n PRO 166 Ca -0.14 0.25 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 1dr4 n PRO 166 Cb 0.45 -1.56 -0.13 0.00 -0.02 0.00 0.00 33.50 32.23 1dr4 n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dr4 n ALA 167 N -0.68 0.89 -1.15 3.55 0.00 -1.26 -4.62 120.51 117.24 1dr4 n ALA 167 Ca 0.11 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.65 1dr4 n ALA 167 Cb 0.38 -0.62 0.13 0.00 0.00 0.00 0.00 19.45 19.34 1dr4 n ALA 167 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dr4 s ASP 168 N -6.99 3.63 0.17 0.00 1.01 -1.26 -4.85 116.67 108.37 1dr4 s ASP 168 Ca -0.25 1.65 -0.31 0.00 0.71 0.00 0.00 52.55 54.36 1dr4 s ASP 168 Cb 0.07 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.60 1dr4 s ASP 168 CO 0.72 -2.56 1.37 -0.63 0.21 0.00 0.00 175.17 174.28 1dr4 s ILE 169 N -2.88 3.16 0.36 0.77 1.01 -1.26 -4.71 121.20 117.64 1dr4 s ILE 169 Ca 0.63 0.89 0.02 0.00 0.00 0.00 0.00 60.65 62.19 1dr4 s ILE 169 Cb -0.18 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1dr4 s ILE 169 CO 0.57 0.10 0.54 -1.10 0.00 0.00 0.00 174.94 175.06 1dr4 s GLN 170 N 0.45 3.32 -0.02 2.79 -1.52 0.14 -4.92 119.66 119.90 1dr4 s GLN 170 Ca 0.61 -0.53 -0.02 0.00 -1.95 0.00 0.00 55.36 53.47 1dr4 s GLN 170 Cb -0.38 -2.69 0.01 0.00 -0.22 0.00 0.00 33.01 29.73 1dr4 s GLN 170 CO 0.35 0.07 0.06 -2.00 -0.25 0.00 0.00 175.29 173.51 1dr4 s GLU 171 N -4.31 0.06 -0.22 2.91 2.12 -1.26 -0.90 118.70 117.10 1dr4 s GLU 171 Ca 0.42 0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.60 1dr4 s GLU 171 Cb -0.10 0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.37 1dr4 s GLU 171 CO 0.35 -0.02 0.65 -2.00 -0.54 0.00 0.00 175.26 173.71 1dr4 s GLU 172 N 0.09 0.79 -1.40 4.30 2.12 0.74 -4.91 118.70 120.44 1dr4 s GLU 172 Ca -0.01 0.83 -0.14 0.00 0.36 0.00 0.00 54.97 56.02 1dr4 s GLU 172 Cb -0.01 0.39 0.12 0.00 0.26 0.00 0.00 34.13 34.88 1dr4 s GLU 172 CO -0.00 -0.12 0.57 -0.25 -0.54 0.00 0.00 175.26 174.93 1dr4 n ASP 173 N 2.52 -3.20 0.00 -1.70 8.00 -1.26 -0.34 116.55 120.57 1dr4 n ASP 173 Ca -0.14 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1dr4 n ASP 173 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 1dr4 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dr4 n GLY 174 N -1.19 0.84 3.68 0.44 0.00 -1.26 -5.00 105.19 102.71 1dr4 n GLY 174 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1dr4 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dr4 s ILE 175 N -3.39 4.38 0.05 -0.61 -1.09 0.53 -5.12 121.20 115.95 1dr4 s ILE 175 Ca 0.00 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1dr4 s ILE 175 Cb 0.00 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1dr4 s ILE 175 CO 0.00 0.60 0.07 -1.10 -1.23 0.00 0.00 174.94 173.28 1dr4 s GLN 176 N -0.80 2.91 0.13 2.79 -0.21 -1.26 -0.19 119.66 123.04 1dr4 s GLN 176 Ca 0.12 -0.63 -0.16 0.00 0.02 0.00 0.00 55.36 54.71 1dr4 s GLN 176 Cb -0.11 -2.75 0.04 0.00 1.00 0.00 0.00 33.01 31.18 1dr4 s GLN 176 CO 0.02 0.59 0.41 1.52 -2.12 0.00 0.00 175.29 175.71 1dr4 s TYR 177 N -1.31 -0.21 0.00 0.91 -0.85 -0.07 -1.22 117.35 114.60 1dr4 s TYR 177 Ca 0.27 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.72 1dr4 s TYR 177 Cb -0.12 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.48 1dr4 s TYR 177 CO 0.19 -0.71 -0.03 -1.59 -1.52 0.00 0.00 175.55 171.88 1dr4 s LYS 178 N -3.81 0.26 -0.07 -3.49 -2.85 -0.31 0.29 119.74 109.77 1dr4 s LYS 178 Ca 0.03 -0.20 -0.22 0.00 -1.00 0.00 0.00 55.97 54.58 1dr4 s LYS 178 Cb 0.02 -0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.54 1dr4 s LYS 178 CO -0.12 0.05 0.66 -0.06 0.10 0.00 0.00 175.35 175.98 1dr4 s PHE 179 N -0.29 3.58 0.11 1.78 0.08 -1.26 -0.48 117.98 121.50 1dr4 s PHE 179 Ca -0.01 1.20 0.06 0.00 0.12 0.00 0.00 56.93 58.29 1dr4 s PHE 179 Cb -0.03 -2.75 -0.04 0.00 -0.57 0.00 0.00 43.02 39.64 1dr4 s PHE 179 CO -0.00 0.13 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.90 1dr4 s GLU 180 N 0.66 0.98 -0.05 0.44 2.02 0.66 -4.94 118.70 118.48 1dr4 s GLU 180 Ca 0.35 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1dr4 s GLU 180 Cb -0.17 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.20 1dr4 s GLU 180 CO 0.17 0.17 -0.03 0.08 0.02 0.00 0.00 175.26 175.67 1dr4 s VAL 181 N -2.01 0.50 0.12 2.63 1.01 -1.26 -0.91 120.40 120.48 1dr4 s VAL 181 Ca 0.07 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.10 1dr4 s VAL 181 Cb -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1dr4 s VAL 181 CO 0.03 0.24 -0.22 -0.31 0.00 0.00 0.00 175.10 174.83 1dr4 s TYR 182 N 1.27 2.42 -0.03 5.22 1.51 -0.29 0.27 117.35 127.72 1dr4 s TYR 182 Ca -0.06 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1dr4 s TYR 182 Cb -0.14 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1dr4 s TYR 182 CO -0.02 0.35 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.58 1dr4 s GLN 183 N -2.03 0.77 -0.20 -0.62 0.74 0.15 -0.20 119.66 118.27 1dr4 s GLN 183 Ca 0.16 -0.15 -0.02 0.00 0.05 0.00 0.00 55.36 55.40 1dr4 s GLN 183 Cb -0.10 -0.76 -0.00 0.00 1.10 0.00 0.00 33.01 33.24 1dr4 s GLN 183 CO 0.08 -0.02 -0.10 0.21 -0.55 0.00 0.00 175.29 174.91 1dr4 s LYS 184 N 0.62 3.26 -0.24 1.67 2.20 0.21 -1.56 119.74 125.90 1dr4 s LYS 184 Ca -0.08 -0.69 -0.09 0.00 -0.36 0.00 0.00 55.97 54.75 1dr4 s LYS 184 Cb -0.12 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1dr4 s LYS 184 CO 0.00 -0.16 0.11 -1.12 -0.36 0.00 0.00 175.35 173.83 1dr4 s SER 185 N 1.30 5.56 0.00 1.43 0.01 -1.26 -1.24 113.70 119.50 1dr4 s SER 185 Ca 0.04 -0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.29 1dr4 s SER 185 Cb -0.14 -2.00 0.05 0.00 0.21 0.00 0.00 66.02 64.13 1dr4 s SER 185 CO -0.05 0.01 0.69 0.52 0.41 0.00 0.00 173.24 174.82