#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y h SER 2 N 0.00 0.00 -5.38 2.55 4.64 -2.05 -3.46 113.55 109.85 1q7y h SER 2 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1q7y h SER 2 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1q7y h SER 2 CO 0.00 0.17 -0.60 -0.94 -0.87 0.00 0.00 176.83 174.59 1q7y s SER 3 N -6.23 0.29 -0.31 4.97 1.04 -1.26 -5.09 113.70 107.11 1q7y s SER 3 Ca 0.05 -1.12 0.13 0.00 0.48 0.00 0.00 55.95 55.49 1q7y s SER 3 Cb 0.06 0.30 0.47 0.00 0.10 0.00 0.00 66.02 66.95 1q7y s SER 3 CO 0.70 -0.73 1.12 -3.20 0.98 0.00 0.00 173.24 172.11 1q7y n ASN 4 N -0.08 3.34 -4.84 7.02 5.15 -1.26 -4.93 115.26 119.66 1q7y n ASN 4 Ca -0.07 -3.05 -0.29 0.00 -0.60 0.00 0.00 54.58 50.57 1q7y n ASN 4 Cb 0.63 -0.43 0.12 0.00 -0.53 0.00 0.00 39.78 39.57 1q7y n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1q7y s GLY 5 N -3.59 1.58 0.17 8.20 0.00 -1.26 -4.97 107.32 107.45 1q7y s GLY 5 Ca 0.40 -0.58 -0.11 0.00 0.00 0.00 0.00 44.72 44.42 1q7y s GLY 5 CO -0.02 -0.05 1.68 -2.55 0.00 0.00 0.00 173.10 172.16 1q7y h PRO 6 N -1.31 0.92 0.00 2.90 0.11 -2.05 -2.84 132.00 129.74 1q7y h PRO 6 Ca -0.49 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.40 1q7y h PRO 6 Cb 1.33 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1q7y h PRO 6 CO 0.64 0.85 0.00 1.28 -0.21 0.00 0.00 178.00 180.56 1q7y n LEU 7 N -4.38 0.00 -4.71 2.35 4.77 -1.26 -4.69 117.00 109.09 1q7y n LEU 7 Ca 0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 1q7y n LEU 7 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1q7y n LEU 7 CO 0.41 0.00 1.38 1.21 -1.33 0.00 0.00 177.39 179.06 1q7y n GLU 8 N -0.51 2.72 -2.76 3.23 0.00 -1.08 -2.29 120.64 119.96 1q7y n GLU 8 Ca 0.00 0.98 -0.21 0.00 0.00 0.00 0.00 57.16 57.93 1q7y n GLU 8 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 31.44 28.62 1q7y n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q7y n GLY 9 N 3.99 -0.49 0.58 8.31 0.00 -1.26 -4.89 105.19 111.42 1q7y n GLY 9 Ca 0.17 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.31 1q7y n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q7y n THR 10 N -4.31 1.48 -0.04 2.61 -2.24 -0.97 -4.77 114.28 106.04 1q7y n THR 10 Ca -0.16 -1.39 -0.11 0.00 -2.27 0.00 0.00 64.05 60.11 1q7y n THR 10 Cb 0.65 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1q7y n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1q7y h ARG 11 N 1.48 -0.40 0.41 -0.78 2.43 -1.90 -0.97 114.38 114.65 1q7y h ARG 11 Ca 0.00 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1q7y h ARG 11 Cb 0.95 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1q7y h ARG 11 CO 0.07 -0.27 -0.20 0.78 -1.51 0.00 0.00 179.97 178.84 1q7y h GLY 12 N -0.42 -0.58 2.00 2.80 0.00 -1.92 -3.16 103.07 101.79 1q7y h GLY 12 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1q7y h GLY 12 CO -0.45 -0.21 0.00 0.07 0.00 0.00 0.00 176.54 175.95 1q7y h LYS 13 N -0.82 0.00 -0.65 4.80 2.10 -1.87 -2.67 116.57 117.46 1q7y h LYS 13 Ca -0.06 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.12 1q7y h LYS 13 Cb 0.54 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 31.54 1q7y h LYS 13 CO 0.09 0.00 -0.54 1.28 -2.00 0.00 0.00 179.45 178.28 1q7y n LEU 14 N -2.77 4.89 -3.76 7.07 4.77 -0.38 -4.84 117.00 121.98 1q7y n LEU 14 Ca -0.02 -4.53 -0.13 0.00 -0.03 0.00 0.00 56.01 51.30 1q7y n LEU 14 Cb 0.09 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.58 1q7y n LEU 14 CO 0.17 1.89 -0.24 -0.75 -1.33 0.00 0.00 177.39 177.14 1q7y s LYS 15 N -3.55 0.09 0.58 3.23 2.20 -1.01 -4.87 119.74 116.41 1q7y s LYS 15 Ca 0.50 0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 56.32 1q7y s LYS 15 Cb 0.42 -0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.54 1q7y s LYS 15 CO 0.02 -0.14 1.00 -0.80 -0.36 0.00 0.00 175.35 175.07 1q7y s ASN 16 N 0.99 6.36 0.44 1.43 0.02 -1.26 -4.95 114.94 117.96 1q7y s ASN 16 Ca -0.08 1.44 -0.21 0.00 -1.02 0.00 0.00 52.86 52.99 1q7y s ASN 16 Cb -0.10 -2.47 -0.10 0.00 0.02 0.00 0.00 41.25 38.60 1q7y s ASN 16 CO -0.05 -0.77 0.99 -0.54 0.02 0.00 0.00 177.10 176.75 1q7y s LYS 17 N -4.81 4.11 0.31 -0.60 3.01 -1.26 -4.93 119.74 115.57 1q7y s LYS 17 Ca 0.56 1.25 0.05 0.00 -1.01 0.00 0.00 55.97 56.82 1q7y s LYS 17 Cb -0.11 -2.23 0.82 0.00 -1.01 0.00 0.00 37.83 35.30 1q7y s LYS 17 CO 0.46 -0.15 1.59 -1.35 0.51 0.00 0.00 175.35 176.42 1q7y h PRO 18 N 1.95 0.06 0.00 -1.68 0.11 -1.99 -1.23 132.00 129.21 1q7y h PRO 18 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q7y h PRO 18 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1q7y h PRO 18 CO 0.61 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 178.98 1q7y n ARG 19 N -5.38 0.11 -0.43 1.05 1.74 -1.26 -2.51 116.66 109.98 1q7y n ARG 19 Ca 0.25 0.24 0.09 0.00 -0.77 0.00 0.00 57.85 57.66 1q7y n ARG 19 Cb 0.81 -1.66 0.29 0.00 -1.02 0.00 0.00 32.46 30.88 1q7y n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1q7y n ASP 20 N -1.86 4.03 -4.77 0.55 8.00 -0.47 -4.97 116.55 117.06 1q7y n ASP 20 Ca 0.04 -2.26 -0.36 0.00 0.71 0.00 0.00 54.79 52.91 1q7y n ASP 20 Cb 0.27 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 1q7y n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q7y s ARG 21 N -1.49 3.76 0.00 -1.24 3.00 -1.04 -4.88 118.95 117.06 1q7y s ARG 21 Ca 0.43 1.69 0.00 0.00 -1.00 0.00 0.00 55.73 56.85 1q7y s ARG 21 Cb 0.26 -2.35 0.00 0.00 0.00 0.00 0.00 34.95 32.86 1q7y s ARG 21 CO 0.24 -0.53 0.00 0.41 0.00 0.00 0.00 175.30 175.41 1q7y n GLY 22 N 0.35 0.26 0.68 8.12 0.00 -1.26 -5.01 105.19 108.33 1q7y n GLY 22 Ca 0.08 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 1q7y n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q7y n THR 23 N 0.55 0.00 -4.16 2.61 -1.04 -1.26 -4.88 114.28 106.09 1q7y n THR 23 Ca 0.00 -0.11 -0.23 0.00 -2.04 0.00 0.00 64.05 61.67 1q7y n THR 23 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1q7y n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1q7y s SER 24 N -0.21 4.74 0.31 8.00 0.01 -1.26 -5.07 113.70 120.21 1q7y s SER 24 Ca 0.12 -0.67 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1q7y s SER 24 Cb -0.09 -0.85 -0.11 0.00 0.21 0.00 0.00 66.02 65.17 1q7y s SER 24 CO 0.15 -0.17 1.59 -2.65 0.41 0.00 0.00 173.24 172.57 1q7y n PRO 25 N -1.07 2.73 -0.11 12.44 -0.02 -1.26 -4.92 135.00 142.78 1q7y n PRO 25 Ca -0.05 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1q7y n PRO 25 Cb 0.60 -2.75 0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1q7y n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q7y h PRO 26 N 4.53 0.88 -0.51 0.52 0.11 -2.00 -3.25 132.00 132.27 1q7y h PRO 26 Ca -0.48 -0.41 0.08 0.00 0.11 0.00 0.00 66.00 65.30 1q7y h PRO 26 Cb 1.23 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1q7y h PRO 26 CO 0.77 1.06 -0.20 0.94 -0.21 0.00 0.00 178.00 180.35 1q7y n GLN 27 N -4.08 -0.12 0.06 1.05 -0.06 -1.26 0.41 117.38 113.38 1q7y n GLN 27 Ca -0.01 0.79 0.11 0.00 -2.00 0.00 0.00 57.00 55.90 1q7y n GLN 27 Cb 0.49 -1.18 0.45 0.00 -4.06 0.00 0.00 30.24 25.95 1q7y n GLN 27 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1q7y n ARG 28 N -4.76 0.11 0.11 3.69 1.85 -1.22 -1.89 116.66 114.55 1q7y n ARG 28 Ca 0.05 0.24 0.13 0.00 -1.00 0.00 0.00 57.85 57.27 1q7y n ARG 28 Cb 0.20 -1.67 0.32 0.00 -1.05 0.00 0.00 32.46 30.26 1q7y n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q7y h ALA 29 N 2.54 0.90 -0.01 2.89 0.00 0.79 -3.24 119.26 123.13 1q7y h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q7y h ALA 29 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1q7y h ALA 29 CO 0.00 0.00 -0.51 0.28 0.00 0.00 0.00 179.25 179.02 1q7y n VAL 30 N -2.34 0.00 -1.50 0.00 0.31 -0.79 -4.26 118.33 109.75 1q7y n VAL 30 Ca 0.05 -0.25 -0.52 0.00 -0.01 0.00 0.00 64.34 63.61 1q7y n VAL 30 Cb 0.45 1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 34.50 1q7y n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1q7y n GLU 31 N -0.39 0.46 -3.93 5.55 4.07 -1.03 -4.95 120.64 120.43 1q7y n GLU 31 Ca 0.07 0.16 -0.36 0.00 -0.06 0.00 0.00 57.16 56.98 1q7y n GLU 31 Cb 0.37 -1.53 -0.08 0.00 -0.06 0.00 0.00 31.44 30.14 1q7y n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1q7y s GLU 32 N -0.42 3.75 -0.02 5.31 0.41 -1.26 -4.78 118.70 121.68 1q7y s GLU 32 Ca 0.77 -0.24 0.05 0.00 -0.41 0.00 0.00 54.97 55.13 1q7y s GLU 32 Cb -1.01 -3.22 -0.01 0.00 -1.78 0.00 0.00 34.13 28.11 1q7y s GLU 32 CO 0.55 0.50 -0.16 -0.06 -0.49 0.00 0.00 175.26 175.60 1q7y s PHE 33 N -0.25 1.52 0.31 1.61 0.40 -1.26 -5.14 117.98 115.18 1q7y s PHE 33 Ca 0.10 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 1q7y s PHE 33 Cb -0.12 -1.00 -0.08 0.00 0.51 0.00 0.00 43.02 42.34 1q7y s PHE 33 CO 0.01 -0.07 0.68 -0.51 0.70 0.00 0.00 175.22 176.03 1q7y s ASP 34 N -0.23 6.67 0.10 1.36 1.01 -1.26 -4.99 116.67 119.33 1q7y s ASP 34 Ca 0.03 1.13 -0.32 0.00 0.71 0.00 0.00 52.55 54.10 1q7y s ASP 34 Cb -0.08 -2.31 -0.11 0.00 1.01 0.00 0.00 42.92 41.42 1q7y s ASP 34 CO 0.00 -0.21 1.80 0.47 0.21 0.00 0.00 175.17 177.45 1q7y n ASP 35 N -0.50 3.80 0.00 0.27 9.92 -1.26 -1.66 116.55 127.12 1q7y n ASP 35 Ca 0.02 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 1q7y n ASP 35 Cb 0.53 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1q7y n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q7y n GLY 36 N 4.13 2.35 3.74 0.44 0.00 0.13 -4.97 105.19 111.00 1q7y n GLY 36 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1q7y n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q7y s GLU 37 N -0.28 4.51 -0.04 1.61 2.02 -0.66 -4.73 118.70 121.12 1q7y s GLU 37 Ca 0.00 1.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.53 1q7y s GLU 37 Cb 0.00 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1q7y s GLU 37 CO 0.00 -0.05 1.07 0.15 0.02 0.00 0.00 175.26 176.44 1q7y s LYS 38 N -0.25 4.44 -0.03 1.61 -0.14 -1.26 -1.09 119.74 123.03 1q7y s LYS 38 Ca 0.52 1.51 0.01 0.00 -1.36 0.00 0.00 55.97 56.65 1q7y s LYS 38 Cb -0.32 -3.50 0.02 0.00 -1.68 0.00 0.00 37.83 32.35 1q7y s LYS 38 CO 0.36 -0.27 -0.03 0.14 -0.76 0.00 0.00 175.35 174.80 1q7y s VAL 39 N 1.66 0.37 0.04 3.17 -7.23 -0.92 -1.18 120.40 116.32 1q7y s VAL 39 Ca 0.52 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.34 1q7y s VAL 39 Cb -0.22 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 1q7y s VAL 39 CO 0.23 0.17 0.91 -1.00 -0.31 0.00 0.00 175.10 175.10 1q7y s HIS 40 N 0.69 3.72 -0.02 2.82 0.09 -0.17 -0.67 115.29 121.74 1q7y s HIS 40 Ca -0.08 1.66 -0.15 0.00 -0.00 0.00 0.00 55.06 56.49 1q7y s HIS 40 Cb -0.11 -3.01 -0.05 0.00 -0.00 0.00 0.00 32.58 29.40 1q7y s HIS 40 CO -0.01 0.13 0.40 -0.51 -0.00 0.00 0.00 174.74 174.76 1q7y s LEU 41 N 0.43 4.44 -0.29 0.89 1.02 0.24 -2.50 118.68 122.92 1q7y s LEU 41 Ca 0.46 0.92 -0.15 0.00 0.02 0.00 0.00 54.13 55.38 1q7y s LEU 41 Cb -0.21 -2.58 0.12 0.00 0.02 0.00 0.00 46.19 43.54 1q7y s LEU 41 CO 0.27 0.28 0.85 -0.75 0.02 0.00 0.00 176.35 177.02 1q7y s LYS 42 N -0.82 0.50 0.21 1.70 2.47 -0.93 -0.87 119.74 121.99 1q7y s LYS 42 Ca 0.23 0.93 -0.30 0.00 -1.56 0.00 0.00 55.97 55.27 1q7y s LYS 42 Cb -0.16 0.21 -0.08 0.00 -1.46 0.00 0.00 37.83 36.33 1q7y s LYS 42 CO 0.12 -0.12 1.01 0.42 0.16 0.00 0.00 175.35 176.95 1q7y s ILE 43 N 1.70 3.99 -0.36 5.43 1.01 -1.26 -4.54 121.20 127.17 1q7y s ILE 43 Ca -0.08 1.87 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 1q7y s ILE 43 Cb -0.05 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1q7y s ILE 43 CO -0.17 0.39 0.62 -0.62 0.00 0.00 0.00 174.94 175.16 1q7y s ASP 44 N -0.66 6.40 0.40 3.58 -1.08 -1.26 -4.93 116.67 119.12 1q7y s ASP 44 Ca 0.45 0.08 0.15 0.00 -0.52 0.00 0.00 52.55 52.71 1q7y s ASP 44 Cb -0.27 -2.32 1.02 0.00 -1.46 0.00 0.00 42.92 39.89 1q7y s ASP 44 CO 0.34 -0.60 1.85 -0.65 0.52 0.00 0.00 175.17 176.63 1q7y h PRO 45 N 8.50 0.46 -0.21 4.34 0.11 -1.89 -1.72 132.00 141.59 1q7y h PRO 45 Ca -0.26 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 1q7y h PRO 45 Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1q7y h PRO 45 CO 0.83 0.31 -0.32 0.77 -0.21 0.00 0.00 178.00 179.38 1q7y h SER 46 N 0.48 0.65 -2.91 -2.05 0.02 -1.90 -3.43 113.55 104.40 1q7y h SER 46 Ca 0.48 -0.52 -0.55 0.00 -0.84 0.00 0.00 61.79 60.36 1q7y h SER 46 Cb 1.10 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 1q7y h SER 46 CO -0.20 1.04 1.01 -0.69 -1.14 0.00 0.00 176.83 176.84 1q7y s VAL 47 N -4.17 3.91 0.29 2.27 1.01 -0.65 -4.91 120.40 118.16 1q7y s VAL 47 Ca -0.13 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.68 1q7y s VAL 47 Cb 0.07 -4.79 0.01 0.00 0.00 0.00 0.00 36.38 31.68 1q7y s VAL 47 CO 0.81 -1.51 1.67 -0.65 0.00 0.00 0.00 175.10 175.42 1q7y h PRO 48 N 9.73 0.09 0.00 2.72 0.11 -1.83 -3.43 132.00 139.39 1q7y h PRO 48 Ca -0.26 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.62 1q7y h PRO 48 Cb 1.05 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.19 1q7y h PRO 48 CO 1.22 0.59 0.02 0.09 -0.21 0.00 0.00 178.00 179.71 1q7y n ASN 49 N -3.93 0.59 -1.76 -2.05 3.02 -1.26 -4.45 115.26 105.42 1q7y n ASN 49 Ca -0.02 -1.47 -0.12 0.00 -0.03 0.00 0.00 54.58 52.94 1q7y n ASN 49 Cb 0.54 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1q7y n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q7y n GLY 50 N 2.21 0.54 3.89 7.41 0.00 -1.26 -4.90 105.19 113.08 1q7y n GLY 50 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1q7y n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q7y s ARG 51 N -3.77 2.60 0.31 1.61 0.52 -1.26 -1.74 118.95 117.22 1q7y s ARG 51 Ca 0.00 0.33 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 1q7y s ARG 51 Cb 0.00 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.40 1q7y s ARG 51 CO 0.00 -1.18 0.08 -0.59 0.02 0.00 0.00 175.30 173.63 1q7y s PHE 52 N -3.40 1.84 0.04 -0.53 -0.12 -1.26 -4.71 117.98 109.83 1q7y s PHE 52 Ca 0.59 -1.05 -0.30 0.00 -0.05 0.00 0.00 56.93 56.12 1q7y s PHE 52 Cb -0.11 -1.17 -0.07 0.00 -0.63 0.00 0.00 43.02 41.04 1q7y s PHE 52 CO 0.51 -0.11 1.62 -1.58 -0.05 0.00 0.00 175.22 175.60 1q7y s HIS 53 N -3.41 2.39 0.42 3.49 5.65 -1.26 -4.86 115.29 117.71 1q7y s HIS 53 Ca 0.36 0.36 0.36 0.00 0.25 0.00 0.00 55.06 56.39 1q7y s HIS 53 Cb 0.08 -3.92 1.36 0.00 -1.18 0.00 0.00 32.58 28.92 1q7y s HIS 53 CO 0.15 -3.68 1.29 -2.30 -0.65 0.00 0.00 174.74 169.55 1q7y n PRO 54 N 5.86 -0.01 0.28 2.88 -0.02 -1.26 -0.88 135.00 141.85 1q7y n PRO 54 Ca 0.16 0.95 0.13 0.00 -2.02 0.00 0.00 63.50 62.72 1q7y n PRO 54 Cb 0.41 -2.06 0.82 0.00 -0.02 0.00 0.00 33.50 32.65 1q7y n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q7y h ARG 55 N 0.00 0.00 -0.00 -0.52 3.08 -1.89 -1.85 114.38 113.21 1q7y h ARG 55 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.81 1q7y h ARG 55 Cb 2.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.88 1q7y h ARG 55 CO -0.16 0.03 -0.24 1.19 -1.07 0.00 0.00 179.97 179.73 1q7y n PHE 56 N -3.93 0.00 -1.71 3.04 3.72 -0.06 -4.85 117.46 113.66 1q7y n PHE 56 Ca -0.03 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.81 1q7y n PHE 56 Cb 0.12 -0.27 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 1q7y n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1q7y n ASP 57 N -1.23 2.48 0.00 4.37 9.92 -0.70 -1.58 116.55 129.82 1q7y n ASP 57 Ca 0.09 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 1q7y n ASP 57 Cb 0.32 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1q7y n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q7y n GLY 58 N 4.22 2.57 3.70 0.44 0.00 -0.05 -5.01 105.19 111.07 1q7y n GLY 58 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1q7y n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q7y s GLN 59 N -0.31 1.42 -0.18 1.61 -1.52 -0.61 -4.74 119.66 115.32 1q7y s GLN 59 Ca 0.00 1.39 -0.02 0.00 -1.95 0.00 0.00 55.36 54.77 1q7y s GLN 59 Cb 0.00 -1.79 0.06 0.00 -0.22 0.00 0.00 33.01 31.06 1q7y s GLN 59 CO 0.00 -2.30 0.02 0.99 -0.25 0.00 0.00 175.29 173.75 1q7y s THR 60 N -2.74 0.59 0.00 -0.19 2.01 -1.26 -0.59 115.64 113.46 1q7y s THR 60 Ca 0.65 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1q7y s THR 60 Cb -0.21 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1q7y s THR 60 CO 0.57 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1q7y n GLY 61 N 5.03 2.43 2.87 4.40 0.00 0.16 -4.84 105.19 115.23 1q7y n GLY 61 Ca -0.09 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 1q7y n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q7y s THR 62 N 0.95 1.30 0.28 2.61 2.01 -0.88 -2.17 115.64 119.75 1q7y s THR 62 Ca 0.00 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 60.43 1q7y s THR 62 Cb 0.00 -1.74 -0.13 0.00 0.01 0.00 0.00 72.50 70.64 1q7y s THR 62 CO 0.00 -0.30 1.33 0.52 -0.69 0.00 0.00 174.62 175.47 1q7y n VAL 63 N 4.73 1.45 -3.16 3.82 0.31 -0.25 -2.07 118.33 123.16 1q7y n VAL 63 Ca -0.07 -0.36 -0.19 0.00 -0.01 0.00 0.00 64.34 63.70 1q7y n VAL 63 Cb 0.44 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 1q7y n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1q7y n GLU 64 N 1.34 0.34 0.00 5.55 -0.58 0.17 0.19 120.64 127.64 1q7y n GLU 64 Ca 0.09 -2.77 0.00 0.00 -0.42 0.00 0.00 57.16 54.05 1q7y n GLU 64 Cb 0.33 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1q7y n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q7y n GLY 65 N 2.78 -0.88 3.13 0.62 0.00 -1.26 -4.61 105.19 104.97 1q7y n GLY 65 Ca 0.25 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1q7y n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q7y s LYS 66 N -1.65 0.77 -0.25 1.61 -2.85 -1.26 -0.83 119.74 115.28 1q7y s LYS 66 Ca 0.00 -1.29 -0.01 0.00 -1.00 0.00 0.00 55.97 53.67 1q7y s LYS 66 Cb 0.00 0.24 0.08 0.00 -2.06 0.00 0.00 37.83 36.08 1q7y s LYS 66 CO 0.00 -0.19 0.03 -1.14 0.10 0.00 0.00 175.35 174.15 1q7y s GLN 67 N -3.97 0.97 5.80 1.78 0.74 0.32 -4.84 119.66 120.47 1q7y s GLN 67 Ca 0.14 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.69 1q7y s GLN 67 Cb 0.07 -2.25 0.00 0.00 1.10 0.00 0.00 33.01 31.93 1q7y s GLN 67 CO -0.05 -0.76 0.00 0.41 -0.55 0.00 0.00 175.29 174.34 1q7y n GLY 68 N 4.84 0.32 0.06 2.59 0.00 -1.26 -2.37 105.19 109.37 1q7y n GLY 68 Ca -0.07 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1q7y n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q7y n ASP 69 N 6.76 0.36 -4.77 1.61 8.00 -1.26 -4.95 116.55 122.30 1q7y n ASP 69 Ca 0.00 0.14 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 1q7y n ASP 69 Cb 0.00 1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 42.41 1q7y n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q7y s ALA 70 N -3.44 3.27 0.38 2.24 0.00 -1.00 -4.83 121.76 118.38 1q7y s ALA 70 Ca -0.05 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 1q7y s ALA 70 Cb 0.12 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1q7y s ALA 70 CO 0.86 -0.60 0.68 0.71 0.00 0.00 0.00 175.76 177.41 1q7y s TYR 71 N -1.30 3.50 -0.27 0.00 1.51 -0.19 0.12 117.35 120.71 1q7y s TYR 71 Ca 0.54 0.80 -0.04 0.00 -1.01 0.00 0.00 57.07 57.37 1q7y s TYR 71 Cb -0.35 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.27 1q7y s TYR 71 CO 0.44 -0.04 -0.00 0.15 -1.11 0.00 0.00 175.55 174.99 1q7y s LYS 72 N -4.00 2.88 -0.11 -0.62 1.02 -0.01 -1.58 119.74 117.33 1q7y s LYS 72 Ca 0.47 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1q7y s LYS 72 Cb -0.10 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1q7y s LYS 72 CO 0.34 -0.44 -0.12 0.08 -0.92 0.00 0.00 175.35 174.29 1q7y s VAL 73 N 1.38 3.15 -0.18 3.17 1.01 -0.43 0.42 120.40 128.91 1q7y s VAL 73 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1q7y s VAL 73 Cb -0.17 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1q7y s VAL 73 CO -0.02 0.54 0.34 -1.81 0.00 0.00 0.00 175.10 174.15 1q7y s ASP 74 N 0.03 6.43 0.25 3.32 1.01 -0.88 0.13 116.67 126.97 1q7y s ASP 74 Ca -0.04 0.50 0.02 0.00 0.71 0.00 0.00 52.55 53.74 1q7y s ASP 74 Cb -0.14 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1q7y s ASP 74 CO 0.04 0.02 0.08 0.27 0.21 0.00 0.00 175.17 175.79 1q7y s ILE 75 N 0.83 0.63 -0.23 0.77 -4.36 0.59 -2.06 121.20 117.38 1q7y s ILE 75 Ca 0.17 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1q7y s ILE 75 Cb -0.14 -2.56 0.05 0.00 1.25 0.00 0.00 42.46 41.06 1q7y s ILE 75 CO 0.06 -0.09 -0.13 -0.69 0.24 0.00 0.00 174.94 174.34 1q7y s VAL 76 N -3.70 2.01 -0.49 8.37 1.01 -1.26 0.12 120.40 126.45 1q7y s VAL 76 Ca 0.35 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1q7y s VAL 76 Cb 0.08 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1q7y s VAL 76 CO 0.12 0.14 0.66 -0.62 0.00 0.00 0.00 175.10 175.40 1q7y s ASP 77 N 1.22 6.26 1.71 3.32 -1.08 0.47 -4.81 116.67 123.75 1q7y s ASP 77 Ca -0.04 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.29 1q7y s ASP 77 Cb -0.18 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1q7y s ASP 77 CO -0.08 -0.90 0.00 0.61 0.52 0.00 0.00 175.17 175.32 1q7y n GLY 78 N 5.13 1.89 0.38 2.66 0.00 -1.26 0.18 105.19 114.17 1q7y n GLY 78 Ca -0.04 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1q7y n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q7y n GLY 79 N 0.00 -0.26 3.78 -0.02 0.00 -1.26 -5.00 105.19 102.42 1q7y n GLY 79 Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1q7y n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q7y s LYS 80 N -0.79 4.08 0.27 1.61 2.20 0.13 -5.06 119.74 122.18 1q7y s LYS 80 Ca 0.11 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 1q7y s LYS 80 Cb 0.08 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.97 1q7y s LYS 80 CO 0.12 0.43 1.04 -2.00 -0.36 0.00 0.00 175.35 174.58 1q7y s GLU 81 N -0.18 4.69 -0.11 4.03 2.12 -1.26 0.18 118.70 128.16 1q7y s GLU 81 Ca 0.21 1.66 -0.21 0.00 0.36 0.00 0.00 54.97 56.99 1q7y s GLU 81 Cb -0.15 -3.17 0.05 0.00 0.26 0.00 0.00 34.13 31.12 1q7y s GLU 81 CO 0.08 0.30 0.51 0.15 -0.54 0.00 0.00 175.26 175.76 1q7y s LYS 82 N -1.44 0.76 -0.23 4.30 1.02 0.31 -4.85 119.74 119.61 1q7y s LYS 82 Ca 0.44 0.35 -0.08 0.00 0.02 0.00 0.00 55.97 56.69 1q7y s LYS 82 Cb -0.29 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1q7y s LYS 82 CO 0.37 -0.18 0.10 0.99 -0.92 0.00 0.00 175.35 175.71 1q7y s THR 83 N -0.58 4.83 -0.13 2.17 2.01 -1.26 0.22 115.64 122.91 1q7y s THR 83 Ca -0.07 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1q7y s THR 83 Cb -0.03 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1q7y s THR 83 CO 0.04 0.37 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.51 1q7y s ILE 84 N 1.05 2.28 -0.64 1.82 1.01 0.36 -4.91 121.20 122.17 1q7y s ILE 84 Ca 0.05 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1q7y s ILE 84 Cb -0.14 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.47 1q7y s ILE 84 CO 0.04 0.54 1.01 -0.63 0.00 0.00 0.00 174.94 175.90 1q7y s ILE 85 N 0.58 4.24 -0.01 2.92 -1.09 -1.26 -1.32 121.20 125.26 1q7y s ILE 85 Ca -0.12 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.23 1q7y s ILE 85 Cb -0.16 -4.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 1q7y s ILE 85 CO 0.03 -1.44 0.04 0.54 -1.23 0.00 0.00 174.94 172.89 1q7y s VAL 86 N 4.32 0.01 0.62 2.92 0.11 -0.61 -4.61 120.40 123.16 1q7y s VAL 86 Ca 0.27 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 1q7y s VAL 86 Cb -0.14 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1q7y s VAL 86 CO 0.13 -0.05 1.03 0.42 -3.33 0.00 0.00 175.10 173.31 1q7y s THR 87 N -0.12 4.67 0.53 5.04 -4.23 -0.71 -1.02 115.64 119.80 1q7y s THR 87 Ca -0.02 0.87 0.19 0.00 -1.18 0.00 0.00 61.69 61.56 1q7y s THR 87 Cb -0.01 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.28 1q7y s THR 87 CO 0.00 -1.13 2.14 0.00 -0.54 0.00 0.00 174.62 175.09 1q7y h ALA 88 N -0.32 2.03 -0.79 3.99 0.00 -1.85 -1.88 119.26 120.44 1q7y h ALA 88 Ca -0.44 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.66 1q7y h ALA 88 Cb 1.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1q7y h ALA 88 CO 0.62 -0.10 0.54 0.00 0.00 0.00 0.00 179.25 180.31 1q7y h ALA 89 N 1.96 2.43 -0.48 0.00 0.00 -1.74 -1.82 119.26 119.60 1q7y h ALA 89 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1q7y h ALA 89 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1q7y h ALA 89 CO -0.00 -0.66 0.00 0.72 0.00 0.00 0.00 179.25 179.31 1q7y n HIS 90 N -4.41 1.14 -4.65 0.00 -0.00 -0.71 -4.69 115.22 101.91 1q7y n HIS 90 Ca 0.16 -0.66 -0.29 0.00 -0.00 0.00 0.00 57.72 56.93 1q7y n HIS 90 Cb 0.71 -0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 30.38 1q7y n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1q7y s LEU 91 N -1.93 2.67 -0.25 2.41 1.43 -0.68 -2.20 118.68 120.12 1q7y s LEU 91 Ca 0.43 -1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 51.86 1q7y s LEU 91 Cb 0.29 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.76 1q7y s LEU 91 CO 0.18 -0.58 0.65 -0.13 0.23 0.00 0.00 176.35 176.71 1q7y s ARG 92 N -3.77 0.74 0.18 1.70 1.81 -1.04 -4.95 118.95 113.63 1q7y s ARG 92 Ca 0.27 0.97 -0.31 0.00 -1.72 0.00 0.00 55.73 54.94 1q7y s ARG 92 Cb 0.07 0.31 -0.10 0.00 -0.45 0.00 0.00 34.95 34.79 1q7y s ARG 92 CO 0.14 -0.11 1.48 1.03 -0.68 0.00 0.00 175.30 177.16 1q7y s ARG 93 N 0.64 4.26 0.36 3.54 0.52 -1.26 -1.00 118.95 126.01 1q7y s ARG 93 Ca -0.02 2.27 -0.25 0.00 -0.52 0.00 0.00 55.73 57.21 1q7y s ARG 93 Cb -0.05 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 1q7y s ARG 93 CO -0.04 -0.50 0.95 -1.14 0.02 0.00 0.00 175.30 174.60 1q7y s GLN 94 N 0.57 4.46 0.00 3.54 0.74 -0.33 -4.82 119.66 123.82 1q7y s GLN 94 Ca 0.65 1.29 0.00 0.00 0.05 0.00 0.00 55.36 57.34 1q7y s GLN 94 Cb -0.41 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.08 1q7y s GLN 94 CO 0.35 0.16 0.00 -1.91 -0.55 0.00 0.00 175.29 173.35