#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y s GLN 2 N 0.00 2.47 -0.16 3.17 -1.52 -1.26 -1.25 119.66 121.11 1q7y s GLN 2 Ca 0.00 -0.95 -0.10 0.00 -1.95 0.00 0.00 55.36 52.36 1q7y s GLN 2 Cb 0.00 -2.46 0.05 0.00 -0.22 0.00 0.00 33.01 30.38 1q7y s GLN 2 CO 0.00 0.51 0.40 1.41 -0.25 0.00 0.00 175.29 177.35 1q7y s MET 3 N -2.54 0.39 0.34 2.91 -2.45 0.73 -4.88 119.30 113.80 1q7y s MET 3 Ca 0.26 0.72 -0.29 0.00 -1.25 0.00 0.00 55.69 55.13 1q7y s MET 3 Cb -0.11 0.02 -0.12 0.00 1.25 0.00 0.00 34.83 35.88 1q7y s MET 3 CO 0.18 -0.14 1.49 -0.35 1.05 0.00 0.00 175.02 177.25 1q7y n PRO 4 N 3.95 2.58 0.16 4.11 -0.04 -1.26 -0.56 135.00 143.94 1q7y n PRO 4 Ca -0.21 0.91 0.01 0.00 -0.04 0.00 0.00 63.50 64.17 1q7y n PRO 4 Cb 0.55 -2.63 0.31 0.00 -0.04 0.00 0.00 33.50 31.69 1q7y n PRO 4 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1q7y h ARG 5 N 3.49 0.05 -4.42 0.54 9.65 -1.81 -3.43 114.38 118.45 1q7y h ARG 5 Ca -0.49 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.20 1q7y h ARG 5 Cb 1.24 -0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.67 1q7y h ARG 5 CO 0.69 0.45 -0.69 1.03 2.80 0.00 0.00 179.97 184.25 1q7y s ARG 6 N -4.11 0.68 0.00 0.20 0.52 -1.26 -1.48 118.95 113.50 1q7y s ARG 6 Ca -0.03 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1q7y s ARG 6 Cb 0.14 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1q7y s ARG 6 CO 0.74 -0.06 0.00 1.97 0.02 0.00 0.00 175.30 177.97 1q7y n PHE 7 N 0.22 0.00 -2.51 -0.53 1.16 -0.51 -4.99 117.46 110.30 1q7y n PHE 7 Ca -0.14 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.08 1q7y n PHE 7 Cb 0.60 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 1q7y n PHE 7 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1q7y s ASN 8 N 0.00 6.51 -0.05 5.98 0.01 -1.26 -0.74 114.94 125.39 1q7y s ASN 8 Ca 0.00 2.02 -0.17 0.00 -0.71 0.00 0.00 52.86 54.00 1q7y s ASN 8 Cb 0.00 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 39.14 1q7y s ASN 8 CO 0.00 -0.66 0.77 1.07 -1.51 0.00 0.00 177.10 176.76 1q7y n THR 9 N -0.50 0.00 -2.92 1.60 5.66 -1.16 -4.89 114.28 112.07 1q7y n THR 9 Ca 0.07 -0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.67 1q7y n THR 9 Cb 0.51 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.51 1q7y n THR 9 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1q7y s TYR 10 N -2.01 3.92 -0.14 1.09 5.04 -1.26 -0.76 117.35 123.24 1q7y s TYR 10 Ca 0.18 1.71 0.01 0.00 -2.44 0.00 0.00 57.07 56.53 1q7y s TYR 10 Cb -0.00 -2.82 -0.00 0.00 0.35 0.00 0.00 41.96 39.48 1q7y s TYR 10 CO -0.02 0.49 -0.16 0.00 -1.34 0.00 0.00 175.55 174.53 1q7y n PRO 12 N 3.84 0.02 -0.05 0.00 -0.04 -1.26 -0.63 135.00 136.88 1q7y n PRO 12 Ca -0.19 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1q7y n PRO 12 Cb 0.52 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1q7y n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1q7y n HIS 13 N -1.58 0.44 -0.18 0.54 8.25 -1.26 -4.37 115.22 117.06 1q7y n HIS 13 Ca 0.04 0.19 0.07 0.00 -0.26 0.00 0.00 57.72 57.77 1q7y n HIS 13 Cb 0.23 -0.52 0.37 0.00 1.12 0.00 0.00 29.99 31.19 1q7y n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q7y n ASN 15 N -4.49 -1.63 -3.57 0.00 2.85 0.19 -5.03 115.26 103.59 1q7y n ASN 15 Ca 0.11 -0.01 -0.12 0.00 -0.11 0.00 0.00 54.58 54.45 1q7y n ASN 15 Cb 0.26 -0.84 -0.06 0.00 1.24 0.00 0.00 39.78 40.39 1q7y n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1q7y s GLU 16 N -4.35 0.71 0.28 1.20 -1.05 -1.12 -4.96 118.70 109.40 1q7y s GLU 16 Ca 0.01 0.27 -0.30 0.00 -0.15 0.00 0.00 54.97 54.80 1q7y s GLU 16 Cb -0.01 0.34 -0.13 0.00 -0.44 0.00 0.00 34.13 33.89 1q7y s GLU 16 CO 0.01 -0.20 1.43 0.72 0.95 0.00 0.00 175.26 178.18 1q7y n HIS 17 N 1.05 2.37 -3.51 4.83 8.25 -1.26 -3.34 115.22 123.61 1q7y n HIS 17 Ca -0.13 0.41 -0.16 0.00 -0.26 0.00 0.00 57.72 57.58 1q7y n HIS 17 Cb 0.57 -2.49 -0.05 0.00 1.12 0.00 0.00 29.99 29.14 1q7y n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1q7y s GLN 18 N -0.75 1.05 0.12 -0.41 -0.21 0.06 -4.90 119.66 114.63 1q7y s GLN 18 Ca 0.64 0.14 -0.31 0.00 0.02 0.00 0.00 55.36 55.86 1q7y s GLN 18 Cb -0.59 0.49 -0.10 0.00 1.00 0.00 0.00 33.01 33.81 1q7y s GLN 18 CO 0.52 -0.35 1.81 -2.00 -2.12 0.00 0.00 175.29 173.15 1q7y s GLU 19 N -1.57 4.14 0.09 2.91 2.12 -1.26 -2.98 118.70 122.14 1q7y s GLU 19 Ca -0.08 2.58 0.08 0.00 0.36 0.00 0.00 54.97 57.90 1q7y s GLU 19 Cb -0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1q7y s GLU 19 CO 0.06 -0.83 -0.15 -1.01 -0.54 0.00 0.00 175.26 172.78 1q7y s HIS 20 N 2.68 2.62 -0.09 5.30 3.76 0.08 0.60 115.29 130.25 1q7y s HIS 20 Ca 0.80 -0.22 -0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1q7y s HIS 20 Cb -0.46 -1.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1q7y s HIS 20 CO 0.36 0.36 -0.06 -2.00 -0.85 0.00 0.00 174.74 172.55 1q7y s GLU 21 N -1.92 2.98 -0.16 1.40 2.12 0.83 -1.42 118.70 122.53 1q7y s GLU 21 Ca 0.18 -0.55 -0.05 0.00 0.36 0.00 0.00 54.97 54.91 1q7y s GLU 21 Cb -0.11 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1q7y s GLU 21 CO 0.10 0.55 0.01 0.08 -0.54 0.00 0.00 175.26 175.46 1q7y s VAL 22 N -0.51 4.34 0.03 3.70 1.01 -0.55 -0.36 120.40 128.05 1q7y s VAL 22 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1q7y s VAL 22 Cb -0.12 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1q7y s VAL 22 CO 0.02 0.50 -0.06 -0.70 0.00 0.00 0.00 175.10 174.85 1q7y s GLU 23 N 0.17 0.46 0.36 2.72 2.12 -1.10 -4.90 118.70 118.53 1q7y s GLU 23 Ca 0.01 -0.62 -0.25 0.00 0.36 0.00 0.00 54.97 54.48 1q7y s GLU 23 Cb -0.13 -0.23 -0.10 0.00 0.26 0.00 0.00 34.13 33.93 1q7y s GLU 23 CO 0.02 0.04 0.99 0.15 -0.54 0.00 0.00 175.26 175.92 1q7y s LYS 24 N -1.28 4.38 -0.22 4.30 1.02 -1.26 0.27 119.74 126.94 1q7y s LYS 24 Ca -0.09 1.39 -0.29 0.00 0.02 0.00 0.00 55.97 57.01 1q7y s LYS 24 Cb -0.08 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1q7y s LYS 24 CO 0.00 0.07 1.41 0.08 -0.92 0.00 0.00 175.35 175.99 1q7y s VAL 25 N -1.68 4.01 0.20 3.17 1.01 -0.36 -4.80 120.40 121.95 1q7y s VAL 25 Ca 0.54 1.17 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 1q7y s VAL 25 Cb -0.19 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1q7y s VAL 25 CO 0.25 -0.30 0.77 -0.13 0.00 0.00 0.00 175.10 175.69 1q7y s ARG 26 N 4.12 4.45 0.07 2.72 0.52 -1.26 -5.02 118.95 124.55 1q7y s ARG 26 Ca 0.61 1.07 -0.31 0.00 -0.52 0.00 0.00 55.73 56.58 1q7y s ARG 26 Cb -0.22 -3.06 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 1q7y s ARG 26 CO 0.23 0.47 1.45 -1.12 0.02 0.00 0.00 175.30 176.36 1q7y s SER 27 N -1.39 6.78 0.35 0.23 0.01 -1.26 -5.03 113.70 113.38 1q7y s SER 27 Ca 0.40 2.30 -0.22 0.00 1.31 0.00 0.00 55.95 59.74 1q7y s SER 27 Cb -0.20 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.36 1q7y s SER 27 CO 0.24 -0.73 0.89 -0.83 0.41 0.00 0.00 173.24 173.22 1q7y s GLY 28 N 1.60 2.57 0.22 3.44 0.00 -1.26 -5.04 107.32 108.85 1q7y s GLY 28 Ca 0.66 0.37 -0.25 0.00 0.00 0.00 0.00 44.72 45.51 1q7y s GLY 28 CO 0.29 0.72 0.83 -1.60 0.00 0.00 0.00 173.10 173.34 1q7y s ARG 29 N -2.56 4.55 0.35 2.90 3.52 -1.26 -5.06 118.95 121.40 1q7y s ARG 29 Ca 0.54 1.19 -0.22 0.00 -0.13 0.00 0.00 55.73 57.10 1q7y s ARG 29 Cb -0.14 -3.08 -0.10 0.00 -1.56 0.00 0.00 34.95 30.07 1q7y s ARG 29 CO 0.19 0.46 0.90 -0.65 -0.81 0.00 0.00 175.30 175.39 1q7y s GLN 30 N -1.53 4.36 0.13 5.12 -0.21 -1.26 -4.98 119.66 121.30 1q7y s GLN 30 Ca 0.41 1.14 0.15 0.00 0.02 0.00 0.00 55.36 57.09 1q7y s GLN 30 Cb -0.21 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.18 1q7y s GLN 30 CO 0.25 0.16 1.06 1.79 -2.12 0.00 0.00 175.29 176.44 1q7y h THR 31 N 2.30 0.71 -4.01 -0.19 1.35 -2.03 -3.48 112.91 107.57 1q7y h THR 31 Ca -0.48 -2.19 -0.25 0.00 -0.55 0.00 0.00 66.41 62.94 1q7y h THR 31 Cb 1.19 2.23 0.09 0.00 -1.73 0.00 0.00 68.15 69.92 1q7y h THR 31 CO 0.63 0.41 -0.42 0.61 -0.25 0.00 0.00 175.52 176.50 1q7y n GLY 32 N 1.34 0.01 0.15 5.82 0.00 -1.26 -4.87 105.19 106.38 1q7y n GLY 32 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1q7y n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q7y n MET 33 N -3.32 0.00 -1.29 1.61 2.81 -1.26 -4.90 117.12 110.78 1q7y n MET 33 Ca 0.00 -0.58 -0.30 0.00 -1.81 0.00 0.00 57.70 55.02 1q7y n MET 33 Cb 0.54 -0.44 0.22 0.00 -0.71 0.00 0.00 33.22 32.83 1q7y n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1q7y s LYS 34 N 0.00 -0.67 0.28 0.03 3.01 -1.26 -4.86 119.74 116.27 1q7y s LYS 34 Ca 0.00 -0.11 0.05 0.00 -1.01 0.00 0.00 55.97 54.90 1q7y s LYS 34 Cb 0.00 -1.67 0.41 0.00 -1.01 0.00 0.00 37.83 35.57 1q7y s LYS 34 CO 0.00 -3.34 1.68 2.35 0.51 0.00 0.00 175.35 176.55 1q7y h TRP 35 N -2.31 0.32 0.00 3.18 7.01 -1.99 -2.23 115.95 119.93 1q7y h TRP 35 Ca -0.45 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 60.39 1q7y h TRP 35 Cb 1.28 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 1q7y h TRP 35 CO -1.74 0.66 -0.31 0.97 -2.79 0.00 0.00 178.44 175.22 1q7y h ILE 36 N 0.23 0.78 -0.16 2.65 6.09 -1.98 -0.12 117.51 125.00 1q7y h ILE 36 Ca 0.02 -1.33 -0.21 0.00 -1.37 0.00 0.00 64.86 61.97 1q7y h ILE 36 Cb 0.85 1.83 0.01 0.00 0.47 0.00 0.00 36.82 39.98 1q7y h ILE 36 CO 0.07 0.31 -0.74 0.44 -3.07 0.00 0.00 178.15 175.15 1q7y h ASP 37 N 0.00 0.86 0.26 2.19 3.32 -1.75 -2.06 116.42 119.24 1q7y h ASP 37 Ca -0.00 -0.55 -0.15 0.00 0.02 0.00 0.00 57.03 56.35 1q7y h ASP 37 Cb 0.81 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1q7y h ASP 37 CO 0.04 1.34 -0.57 0.03 -1.72 0.00 0.00 179.24 178.35 1q7y h ARG 38 N 0.51 0.32 0.00 3.56 3.08 -1.28 -2.89 114.38 117.68 1q7y h ARG 38 Ca -0.04 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 1q7y h ARG 38 Cb 1.36 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1q7y h ARG 38 CO 0.15 0.81 -0.43 0.37 -1.07 0.00 0.00 179.97 179.80 1q7y h GLN 39 N 0.24 0.00 0.18 0.04 4.15 -0.92 -0.54 115.11 118.26 1q7y h GLN 39 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1q7y h GLN 39 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1q7y h GLN 39 CO 0.09 0.43 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.24 1q7y h ARG 40 N 0.00 -0.24 -0.80 1.69 2.43 -1.17 -1.60 114.38 114.69 1q7y h ARG 40 Ca -0.00 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1q7y h ARG 40 Cb 0.81 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.27 1q7y h ARG 40 CO 0.06 -0.16 -0.38 0.93 -1.51 0.00 0.00 179.97 178.91 1q7y h GLU 41 N -0.27 -0.08 -0.16 0.20 5.08 -1.52 -1.24 114.58 116.58 1q7y h GLU 41 Ca -0.03 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1q7y h GLU 41 Cb 0.19 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1q7y h GLU 41 CO 0.04 -0.05 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.71 1q7y h ARG 42 N -0.08 -0.22 0.00 2.33 2.43 -1.11 -3.17 114.38 114.56 1q7y h ARG 42 Ca 0.28 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1q7y h ARG 42 Cb 0.57 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1q7y h ARG 42 CO -0.84 -0.15 -0.39 0.09 -1.51 0.00 0.00 179.97 177.17 1q7y n ASN 43 N -5.34 0.66 -4.74 -3.80 4.13 -0.60 -4.86 115.26 100.72 1q7y n ASN 43 Ca -0.02 0.24 -0.41 0.00 1.68 0.00 0.00 54.58 56.07 1q7y n ASN 43 Cb 0.25 -0.15 -0.05 0.00 -1.54 0.00 0.00 39.78 38.30 1q7y n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1q7y s SER 44 N -4.11 7.52 0.00 6.41 0.01 -0.50 -4.95 113.70 118.08 1q7y s SER 44 Ca 0.08 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1q7y s SER 44 Cb 0.14 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1q7y s SER 44 CO 0.67 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1q7y n GLY 45 N 2.05 4.21 3.77 3.44 0.00 -1.26 -4.98 105.19 112.42 1q7y n GLY 45 Ca 0.01 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1q7y n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q7y s ILE 46 N 1.31 3.43 0.00 -0.61 1.01 -1.26 -4.84 121.20 120.24 1q7y s ILE 46 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1q7y s ILE 46 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1q7y s ILE 46 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1q7y n GLY 47 N 0.81 0.13 3.67 6.18 0.00 -1.26 -4.81 105.19 109.91 1q7y n GLY 47 Ca 0.02 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1q7y n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q7y n ASN 48 N -1.72 2.08 -0.99 1.61 5.15 -1.26 -4.94 115.26 115.19 1q7y n ASN 48 Ca 0.00 1.07 0.08 0.00 -0.60 0.00 0.00 54.58 55.14 1q7y n ASN 48 Cb 0.00 -1.45 0.24 0.00 -0.53 0.00 0.00 39.78 38.04 1q7y n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q7y n ASP 49 N 0.23 3.51 0.00 1.20 8.00 -1.26 -4.79 116.55 123.44 1q7y n ASP 49 Ca 0.08 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1q7y n ASP 49 Cb 0.40 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1q7y n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q7y n GLY 50 N 0.93 2.35 0.40 0.44 0.00 -1.26 -2.86 105.19 105.19 1q7y n GLY 50 Ca 0.18 -0.39 0.20 0.00 0.00 0.00 0.00 46.02 46.01 1q7y n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q7y h LYS 51 N 0.00 0.18 0.00 1.61 2.10 -1.99 0.25 116.57 118.72 1q7y h LYS 51 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1q7y h LYS 51 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1q7y h LYS 51 CO 0.00 0.12 0.00 1.19 -2.00 0.00 0.00 179.45 178.76 1q7y n PHE 52 N -4.41 0.00 0.63 0.07 3.01 -1.13 -1.79 117.46 113.83 1q7y n PHE 52 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.67 1q7y n PHE 52 Cb 0.66 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.16 1q7y n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1q7y n SER 53 N -0.74 1.87 -4.86 4.37 7.64 0.87 -4.87 113.62 117.90 1q7y n SER 53 Ca 0.09 -1.44 -0.31 0.00 1.01 0.00 0.00 58.87 58.22 1q7y n SER 53 Cb 0.04 0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1q7y n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1q7y s LYS 54 N -1.48 3.86 0.18 1.43 1.02 -0.74 -5.01 119.74 119.00 1q7y s LYS 54 Ca 0.15 0.57 0.10 0.00 0.02 0.00 0.00 55.97 56.81 1q7y s LYS 54 Cb 0.12 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1q7y s LYS 54 CO 0.27 -0.01 -0.16 0.14 -0.92 0.00 0.00 175.35 174.67 1q7y s VAL 55 N -2.30 2.81 -0.15 3.17 -7.23 -1.26 -5.07 120.40 110.37 1q7y s VAL 55 Ca 0.53 -1.81 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 1q7y s VAL 55 Cb -0.10 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 1q7y s VAL 55 CO 0.28 -0.10 0.52 -2.65 -0.31 0.00 0.00 175.10 172.83 1q7y n PRO 56 N 0.18 0.00 0.00 4.82 -0.02 -1.26 -4.96 135.00 133.76 1q7y n PRO 56 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1q7y n PRO 56 Cb 0.55 -0.45 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 1q7y n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q7y n GLY 57 N 1.43 -0.10 0.00 -1.23 0.00 -1.26 -5.04 105.19 98.98 1q7y n GLY 57 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1q7y n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q7y n GLY 58 N 0.00 0.92 2.80 -0.02 0.00 -1.26 -5.15 105.19 102.48 1q7y n GLY 58 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 1q7y n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q7y s ASP 59 N 2.00 0.39 0.56 1.61 1.01 -1.26 -5.13 116.67 115.85 1q7y s ASP 59 Ca 0.00 0.18 -0.18 0.00 0.71 0.00 0.00 52.55 53.26 1q7y s ASP 59 Cb 0.00 0.05 -0.05 0.00 1.01 0.00 0.00 42.92 43.94 1q7y s ASP 59 CO 0.00 -0.18 1.10 -0.75 0.21 0.00 0.00 175.17 175.54 1q7y s LYS 60 N 1.58 3.32 0.50 8.23 2.47 -1.26 -4.92 119.74 129.67 1q7y s LYS 60 Ca -0.04 1.45 0.24 0.00 -1.56 0.00 0.00 55.97 56.07 1q7y s LYS 60 Cb -0.12 -2.02 1.32 0.00 -1.46 0.00 0.00 37.83 35.55 1q7y s LYS 60 CO -0.04 -0.84 1.93 -1.00 0.16 0.00 0.00 175.35 175.55 1q7y h PRO 61 N 0.91 0.13 -3.15 4.03 0.13 -2.06 -3.42 132.00 128.57 1q7y h PRO 61 Ca -0.49 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 1q7y h PRO 61 Cb 1.24 -0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.11 1q7y h PRO 61 CO 0.57 0.08 -0.40 0.99 -0.23 0.00 0.00 178.00 179.01 1q7y s THR 62 N -5.13 0.02 0.29 1.56 2.01 -1.26 -5.03 115.64 108.09 1q7y s THR 62 Ca -0.06 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.81 1q7y s THR 62 Cb 0.21 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1q7y s THR 62 CO 0.76 -0.10 0.34 -0.54 -0.69 0.00 0.00 174.62 174.38 1q7y s LYS 63 N -0.35 3.11 0.79 4.92 -0.14 -1.26 -4.88 119.74 121.91 1q7y s LYS 63 Ca -0.05 -0.99 -0.10 0.00 -1.36 0.00 0.00 55.97 53.47 1q7y s LYS 63 Cb -0.03 -2.72 0.09 0.00 -1.68 0.00 0.00 37.83 33.49 1q7y s LYS 63 CO 0.01 0.26 1.13 0.15 -0.76 0.00 0.00 175.35 176.15 1q7y s LYS 64 N -4.00 1.87 -0.15 1.68 1.02 -1.26 -2.21 119.74 116.69 1q7y s LYS 64 Ca 0.38 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.94 1q7y s LYS 64 Cb -0.08 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1q7y s LYS 64 CO 0.28 -1.56 1.21 0.99 -0.92 0.00 0.00 175.35 175.35 1q7y s THR 65 N -3.48 4.34 -0.78 2.17 2.01 -0.61 -4.83 115.64 114.46 1q7y s THR 65 Ca 0.63 1.63 -0.03 0.00 0.31 0.00 0.00 61.69 64.23 1q7y s THR 65 Cb -0.10 -4.05 0.20 0.00 0.01 0.00 0.00 72.50 68.56 1q7y s THR 65 CO 0.48 -0.11 0.64 -0.62 -0.69 0.00 0.00 174.62 174.32 1q7y s ASP 66 N 1.74 5.75 0.46 3.53 2.15 -1.26 -4.08 116.67 124.96 1q7y s ASP 66 Ca 0.53 -3.27 0.04 0.00 0.43 0.00 0.00 52.55 50.29 1q7y s ASP 66 Cb -0.21 -1.92 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 1q7y s ASP 66 CO 0.15 -0.29 0.03 -0.76 -0.17 0.00 0.00 175.17 174.13 1q7y s LEU 67 N -0.68 2.63 0.09 -1.34 1.43 -1.26 -1.22 118.68 118.32 1q7y s LEU 67 Ca 0.22 -1.48 0.09 0.00 -1.03 0.00 0.00 54.13 51.94 1q7y s LEU 67 Cb -0.13 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1q7y s LEU 67 CO -0.08 -0.66 -0.23 -0.54 0.23 0.00 0.00 176.35 175.07 1q7y s LYS 68 N -3.82 1.33 -0.30 1.70 1.02 0.14 -4.64 119.74 115.17 1q7y s LYS 68 Ca 0.22 -1.16 0.02 0.00 0.02 0.00 0.00 55.97 55.07 1q7y s LYS 68 Cb 0.05 -1.63 0.09 0.00 -0.52 0.00 0.00 37.83 35.83 1q7y s LYS 68 CO 0.12 0.39 0.03 0.71 -0.92 0.00 0.00 175.35 175.68 1q7y s TYR 69 N -1.02 2.83 -0.27 3.18 1.51 -0.88 -2.72 117.35 119.99 1q7y s TYR 69 Ca 0.09 -2.30 -0.12 0.00 -1.01 0.00 0.00 57.07 53.73 1q7y s TYR 69 Cb -0.10 -2.20 -0.05 0.00 -0.11 0.00 0.00 41.96 39.51 1q7y s TYR 69 CO 0.04 -0.88 0.26 1.03 -1.11 0.00 0.00 175.55 174.89 1q7y s ARG 70 N 1.23 4.00 -0.29 -0.62 0.52 0.51 -1.80 118.95 122.50 1q7y s ARG 70 Ca 0.05 -0.16 -0.29 0.00 -0.52 0.00 0.00 55.73 54.81 1q7y s ARG 70 Cb -0.19 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.63 1q7y s ARG 70 CO -0.12 -0.16 1.78 0.00 0.02 0.00 0.00 175.30 176.82 1q7y n GLY 72 N 5.26 -0.29 0.11 0.00 0.00 0.20 0.61 105.19 111.07 1q7y n GLY 72 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1q7y n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q7y n GLU 73 N -1.27 0.00 0.04 1.61 2.13 -1.26 -4.70 120.64 117.19 1q7y n GLU 73 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1q7y n GLU 73 Cb 0.12 -0.90 0.12 0.00 0.27 0.00 0.00 31.44 31.05 1q7y n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q7y n GLY 75 N 1.37 0.08 3.81 0.00 0.00 0.20 -4.98 105.19 105.67 1q7y n GLY 75 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1q7y n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q7y s LYS 76 N -1.33 4.30 0.46 1.61 1.02 -1.26 -4.61 119.74 119.94 1q7y s LYS 76 Ca 0.00 0.92 0.08 0.00 0.02 0.00 0.00 55.97 56.99 1q7y s LYS 76 Cb 0.00 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1q7y s LYS 76 CO 0.00 0.41 0.59 0.00 -0.92 0.00 0.00 175.35 175.43 1q7y s ALA 77 N -1.48 4.50 -0.05 5.17 0.00 -1.26 -2.10 121.76 126.55 1q7y s ALA 77 Ca 0.42 -1.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.37 1q7y s ALA 77 Cb -0.17 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.52 1q7y s ALA 77 CO 0.22 -0.42 0.47 -3.38 0.00 0.00 0.00 175.76 172.65 1q7y s HIS 78 N -2.46 -0.40 -0.13 0.00 -3.43 -0.75 -4.96 115.29 103.17 1q7y s HIS 78 Ca 0.55 0.70 -0.05 0.00 -0.80 0.00 0.00 55.06 55.45 1q7y s HIS 78 Cb -0.08 0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1q7y s HIS 78 CO 0.33 -0.46 0.07 -0.51 -2.00 0.00 0.00 174.74 172.18 1q7y s LEU 79 N -1.11 3.96 0.31 5.38 1.43 -1.26 -2.06 118.68 125.32 1q7y s LEU 79 Ca -0.11 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.34 1q7y s LEU 79 Cb -0.03 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1q7y s LEU 79 CO 0.06 0.33 -0.04 -0.13 0.23 0.00 0.00 176.35 176.81 1q7y s ARG 80 N -0.59 2.05 0.76 1.70 0.52 -1.26 -5.08 118.95 117.04 1q7y s ARG 80 Ca 0.11 -1.66 -0.15 0.00 -0.52 0.00 0.00 55.73 53.51 1q7y s ARG 80 Cb -0.12 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.43 1q7y s ARG 80 CO 0.02 0.24 1.03 0.39 0.02 0.00 0.00 175.30 177.00 1q7y n GLU 81 N -0.87 0.39 -4.16 3.54 1.02 -1.26 -4.84 120.64 114.46 1q7y n GLU 81 Ca -0.05 0.20 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 1q7y n GLU 81 Cb 0.61 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.69 1q7y n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1q7y s GLY 82 N -1.80 1.51 0.01 0.62 0.00 -1.26 -4.95 107.32 101.46 1q7y s GLY 82 Ca 0.73 -1.46 0.04 0.00 0.00 0.00 0.00 44.72 44.03 1q7y s GLY 82 CO 0.51 -1.50 -0.14 0.66 0.00 0.00 0.00 173.10 172.63 1q7y s TRP 83 N -2.13 1.21 0.13 1.90 -2.14 -1.26 -4.67 118.94 111.98 1q7y s TRP 83 Ca 0.32 -0.28 -0.34 0.00 2.66 0.00 0.00 56.10 58.45 1q7y s TRP 83 Cb -0.08 -0.75 -0.14 0.00 -3.10 0.00 0.00 33.47 29.40 1q7y s TRP 83 CO 0.23 0.01 1.55 0.54 -2.66 0.00 0.00 176.95 176.62 1q7y n ARG 84 N 2.35 1.95 -3.49 3.25 1.74 -1.26 -1.57 116.66 119.64 1q7y n ARG 84 Ca -0.16 0.71 -0.04 0.00 -0.77 0.00 0.00 57.85 57.59 1q7y n ARG 84 Cb 0.55 -2.45 -0.06 0.00 -1.02 0.00 0.00 32.46 29.48 1q7y n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q7y s ALA 85 N 1.03 -1.61 0.28 7.54 0.00 -0.94 -4.92 121.76 123.14 1q7y s ALA 85 Ca 0.81 1.68 0.01 0.00 0.00 0.00 0.00 51.96 54.46 1q7y s ALA 85 Cb -0.74 -1.69 0.55 0.00 0.00 0.00 0.00 23.12 21.24 1q7y s ALA 85 CO 0.41 -1.03 1.81 0.78 0.00 0.00 0.00 175.76 177.73 1q7y h GLY 86 N 8.09 1.57 -5.02 0.00 0.00 -1.94 -3.40 103.07 102.37 1q7y h GLY 86 Ca -0.19 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1q7y h GLY 86 CO 0.17 0.10 -0.24 -1.60 0.00 0.00 0.00 176.54 174.98 1q7y s ARG 87 N -5.96 0.54 -0.21 4.80 3.52 -1.26 -4.96 118.95 115.42 1q7y s ARG 87 Ca -0.12 0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1q7y s ARG 87 Cb 0.22 0.25 0.06 0.00 -1.56 0.00 0.00 34.95 33.92 1q7y s ARG 87 CO 0.80 -0.10 -0.02 -1.17 -0.81 0.00 0.00 175.30 174.00 1q7y s LEU 88 N -0.21 1.96 -0.11 -0.88 2.96 -1.26 0.30 118.68 121.45 1q7y s LEU 88 Ca -0.04 -0.98 0.03 0.00 -0.22 0.00 0.00 54.13 52.92 1q7y s LEU 88 Cb -0.03 -0.95 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1q7y s LEU 88 CO 0.02 -0.25 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.97 1q7y s GLU 89 N 1.58 3.11 0.49 1.98 2.02 -0.38 -4.97 118.70 122.54 1q7y s GLU 89 Ca -0.03 -0.84 -0.06 0.00 0.02 0.00 0.00 54.97 54.06 1q7y s GLU 89 Cb -0.18 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1q7y s GLU 89 CO -0.07 0.16 0.81 -0.06 0.02 0.00 0.00 175.26 176.12 1q7y s PHE 90 N 0.41 3.57 -0.45 1.61 0.40 -1.25 -0.19 117.98 122.07 1q7y s PHE 90 Ca -0.16 0.88 -0.06 0.00 -0.60 0.00 0.00 56.93 56.99 1q7y s PHE 90 Cb -0.17 -2.36 0.12 0.00 0.51 0.00 0.00 43.02 41.12 1q7y s PHE 90 CO 0.07 -0.31 0.28 -0.65 0.70 0.00 0.00 175.22 175.31 1q7y s GLN 91 N -4.74 2.26 0.00 0.44 -0.21 0.28 -4.79 119.66 112.90 1q7y s GLN 91 Ca 0.48 -1.81 0.00 0.00 0.02 0.00 0.00 55.36 54.06 1q7y s GLN 91 Cb -0.10 -3.77 0.00 0.00 1.00 0.00 0.00 33.01 30.14 1q7y s GLN 91 CO 0.45 -1.14 0.00 0.39 -2.12 0.00 0.00 175.29 172.87