#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql h ARG 20 N 0.00 0.37 -1.88 1.97 3.08 -2.13 -3.47 114.38 112.32 2jql h ARG 20 Ca 0.00 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2jql h ARG 20 Cb 0.00 0.02 -0.21 0.00 0.08 0.00 0.00 29.97 29.87 2jql h ARG 20 CO 0.00 0.82 0.27 -1.14 -1.07 0.00 0.00 179.97 178.84 2jql s GLN 21 N -4.07 0.88 0.00 0.04 0.74 -1.26 -5.07 119.66 110.92 2jql s GLN 21 Ca -0.14 0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.68 2jql s GLN 21 Cb 0.05 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.58 2jql s GLN 21 CO 0.77 -0.23 0.00 0.94 -0.55 0.00 0.00 175.29 176.21 2jql n GLN 22 N 1.34 0.00 -3.74 1.67 0.00 -1.26 -5.10 117.38 110.28 2jql n GLN 22 Ca -0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.71 2jql n GLN 22 Cb 0.57 -0.59 -0.09 0.00 0.00 0.00 0.00 30.24 30.13 2jql n GLN 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jql s ARG 23 N -1.83 0.58 -0.54 3.69 0.52 -1.26 -5.05 118.95 115.06 2jql s ARG 23 Ca 0.00 0.13 -0.03 0.00 -0.52 0.00 0.00 55.73 55.31 2jql s ARG 23 Cb 0.00 0.27 0.17 0.00 0.52 0.00 0.00 34.95 35.91 2jql s ARG 23 CO 0.00 -0.13 2.47 0.43 0.02 0.00 0.00 175.30 178.08 2jql n SER 24 N 1.95 6.79 -4.93 0.23 7.64 -1.26 -4.95 113.62 119.09 2jql n SER 24 Ca -0.18 -3.36 -0.27 0.00 1.01 0.00 0.00 58.87 56.07 2jql n SER 24 Cb 0.57 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 2jql n SER 24 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jql s ASN 25 N -0.13 6.38 -0.36 6.43 -0.87 -1.26 -5.08 114.94 120.04 2jql s ASN 25 Ca 0.54 0.48 0.01 0.00 -1.57 0.00 0.00 52.86 52.32 2jql s ASN 25 Cb 0.39 -2.04 0.18 0.00 -0.02 0.00 0.00 41.25 39.76 2jql s ASN 25 CO -0.22 -0.14 0.79 -0.54 -2.57 0.00 0.00 177.10 174.41 2jql s LYS 26 N -3.65 0.54 0.54 -0.60 1.02 -1.26 -5.16 119.74 111.18 2jql s LYS 26 Ca 0.40 -0.09 -0.21 0.00 0.02 0.00 0.00 55.97 56.09 2jql s LYS 26 Cb -0.10 0.09 -0.06 0.00 -0.52 0.00 0.00 37.83 37.24 2jql s LYS 26 CO 0.31 -0.81 1.24 -2.30 -0.92 0.00 0.00 175.35 172.86 2jql n PRO 27 N 4.33 1.49 0.18 -1.68 -0.02 -1.26 -4.89 135.00 133.16 2jql n PRO 27 Ca 0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2jql n PRO 27 Cb 0.59 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2jql n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jql n SER 28 N -0.77 -2.71 -4.75 2.55 2.88 -1.26 -5.15 113.62 104.40 2jql n SER 28 Ca 0.11 0.68 -0.20 0.00 -1.33 0.00 0.00 58.87 58.13 2jql n SER 28 Cb 0.44 2.63 0.05 0.00 -0.75 0.00 0.00 64.21 66.58 2jql n SER 28 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jql n SER 29 N -3.31 2.19 -4.94 -3.46 3.41 -1.26 -5.13 113.62 101.13 2jql n SER 29 Ca 0.00 -2.55 -0.24 0.00 -0.26 0.00 0.00 58.87 55.81 2jql n SER 29 Cb 0.00 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 2jql n SER 29 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2jql s GLU 30 N -4.39 3.42 0.00 4.33 -1.05 -1.26 -5.10 118.70 114.66 2jql s GLU 30 Ca 0.50 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.07 2jql s GLU 30 Cb -0.04 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.07 2jql s GLU 30 CO 0.32 -0.00 0.00 0.66 0.95 0.00 0.00 175.26 177.18 2jql n TYR 31 N -1.94 0.00 -3.75 4.83 4.01 -1.26 -5.08 117.16 113.96 2jql n TYR 31 Ca -0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 2jql n TYR 31 Cb 0.56 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.43 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jql s THR 32 N 1.00 -0.07 0.43 -0.72 2.01 -1.26 -4.95 115.64 112.08 2jql s THR 32 Ca 0.00 0.25 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 2jql s THR 32 Cb 0.00 -0.10 -0.08 0.00 0.01 0.00 0.00 72.50 72.33 2jql s THR 32 CO 0.00 0.10 1.18 0.00 -0.69 0.00 0.00 174.62 175.21 2jql n LEU 34 N -0.18 -2.40 -3.83 0.00 -0.00 -1.21 -4.87 117.00 104.52 2jql n LEU 34 Ca 0.06 0.61 -0.10 0.00 -0.00 0.00 0.00 56.01 56.58 2jql n LEU 34 Cb 0.47 2.36 -0.06 0.00 -0.00 0.00 0.00 43.42 46.19 2jql n LEU 34 CO 0.50 -0.12 0.07 -0.83 -0.00 0.00 0.00 177.39 177.01 2jql s GLY 35 N -2.85 0.14 0.12 -3.96 0.00 -1.17 -1.14 107.32 98.44 2jql s GLY 35 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.24 2jql s GLY 35 CO 0.00 -0.60 -0.12 0.30 0.00 0.00 0.00 173.10 172.68 2jql s HIS 36 N -3.90 1.26 -0.06 1.90 3.76 -0.84 0.11 115.29 117.53 2jql s HIS 36 Ca 0.10 -0.61 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 2jql s HIS 36 Cb 0.02 -0.67 0.00 0.00 1.11 0.00 0.00 32.58 33.05 2jql s HIS 36 CO -0.05 0.09 -0.15 -0.48 -0.85 0.00 0.00 174.74 173.30 2jql s LEU 37 N -2.53 1.81 -0.19 0.89 0.05 -0.46 -2.68 118.68 115.58 2jql s LEU 37 Ca 0.08 -0.34 -0.08 0.00 0.05 0.00 0.00 54.13 53.85 2jql s LEU 37 Cb -0.03 -0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 43.15 2jql s LEU 37 CO 0.02 0.10 0.07 -0.69 -0.55 0.00 0.00 176.35 175.29 2jql s VAL 38 N 0.33 4.80 -0.37 1.48 1.01 -1.13 -2.00 120.40 124.51 2jql s VAL 38 Ca -0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 2jql s VAL 38 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2jql s VAL 38 CO 0.03 0.45 0.68 0.20 0.00 0.00 0.00 175.10 176.46 2jql s ASN 39 N 0.45 6.44 -0.54 3.32 0.01 0.77 -2.07 114.94 123.34 2jql s ASN 39 Ca 0.03 0.13 -0.26 0.00 -0.71 0.00 0.00 52.86 52.06 2jql s ASN 39 Cb -0.12 -2.35 0.04 0.00 0.41 0.00 0.00 41.25 39.23 2jql s ASN 39 CO 0.00 -0.66 1.00 -0.76 -1.51 0.00 0.00 177.10 175.18 2jql s LEU 40 N 2.84 3.91 -0.01 0.60 1.43 0.31 -2.96 118.68 124.80 2jql s LEU 40 Ca 0.26 -0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 2jql s LEU 40 Cb -0.14 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 2jql s LEU 40 CO 0.16 -1.25 -0.20 -0.63 0.23 0.00 0.00 176.35 174.65 2jql s ILE 41 N 4.16 1.62 -1.06 -0.59 1.01 -1.11 -4.26 121.20 120.97 2jql s ILE 41 Ca 0.35 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 2jql s ILE 41 Cb -0.11 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 2jql s ILE 41 CO 0.23 0.44 1.79 -2.16 0.00 0.00 0.00 174.94 175.23 2jql s PRO 42 N -0.53 3.02 0.00 2.79 0.04 -1.26 -2.41 135.00 136.65 2jql s PRO 42 Ca 0.08 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.16 2jql s PRO 42 Cb -0.08 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.21 2jql s PRO 42 CO -0.01 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.39 2jql n GLY 43 N 6.41 0.62 3.59 0.56 0.00 -1.26 -5.12 105.19 110.00 2jql n GLY 43 Ca 0.41 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.44 2jql n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jql s LYS 44 N 0.00 0.06 0.09 1.61 2.20 -1.01 -5.18 119.74 117.51 2jql s LYS 44 Ca 0.00 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 2jql s LYS 44 Cb 0.00 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2jql s LYS 44 CO 0.00 -0.03 -0.11 -1.83 -0.36 0.00 0.00 175.35 173.02 2jql s GLU 45 N -2.07 0.84 -0.04 4.03 1.03 -1.26 -2.75 118.70 118.47 2jql s GLU 45 Ca 0.14 -1.11 0.01 0.00 0.03 0.00 0.00 54.97 54.03 2jql s GLU 45 Cb 0.04 -0.59 0.02 0.00 -0.80 0.00 0.00 34.13 32.80 2jql s GLU 45 CO -0.05 0.10 -0.02 -1.14 -1.33 0.00 0.00 175.26 172.82 2jql s GLN 46 N -2.54 0.60 -0.21 -4.83 -0.44 -1.16 -4.98 119.66 106.10 2jql s GLN 46 Ca 0.04 -0.02 -0.03 0.00 -2.50 0.00 0.00 55.36 52.85 2jql s GLN 46 Cb -0.05 -0.70 -0.01 0.00 -1.64 0.00 0.00 33.01 30.62 2jql s GLN 46 CO 0.01 -0.12 -0.07 0.21 0.50 0.00 0.00 175.29 175.82 2jql s LYS 47 N 1.02 3.33 -0.02 1.67 2.20 -1.26 -0.16 119.74 126.52 2jql s LYS 47 Ca -0.10 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 54.94 2jql s LYS 47 Cb -0.14 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 2jql s LYS 47 CO -0.01 -0.16 -0.25 0.08 -0.36 0.00 0.00 175.35 174.65 2jql s VAL 48 N 1.35 2.17 -0.04 4.02 1.01 -0.85 -5.00 120.40 123.06 2jql s VAL 48 Ca 0.04 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 2jql s VAL 48 Cb -0.14 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2jql s VAL 48 CO -0.04 0.57 0.51 -1.83 0.00 0.00 0.00 175.10 174.31 2jql s GLU 49 N -0.67 4.23 -0.30 2.72 1.03 -1.26 -1.35 118.70 123.10 2jql s GLU 49 Ca 0.10 0.56 -0.11 0.00 0.03 0.00 0.00 54.97 55.56 2jql s GLU 49 Cb -0.10 -3.34 -0.03 0.00 -0.80 0.00 0.00 34.13 29.86 2jql s GLU 49 CO -0.01 0.38 0.18 0.42 -1.33 0.00 0.00 175.26 174.90 2jql s ILE 50 N -0.15 5.03 0.45 1.83 -1.09 0.31 -4.97 121.20 122.61 2jql s ILE 50 Ca 0.27 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.65 2jql s ILE 50 Cb -0.17 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 2jql s ILE 50 CO 0.14 0.16 0.62 0.42 -1.23 0.00 0.00 174.94 175.05 2jql s THR 51 N 1.70 3.25 -1.36 2.92 -4.23 -1.26 -3.07 115.64 113.59 2jql s THR 51 Ca 0.06 -0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 2jql s THR 51 Cb -0.16 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 70.63 2jql s THR 51 CO 0.09 -0.08 2.12 0.59 -0.54 0.00 0.00 174.62 176.80 2jql n ASN 52 N -1.99 5.41 -0.63 3.99 3.02 -0.60 -4.63 115.26 119.84 2jql n ASN 52 Ca 0.05 -3.00 0.11 0.00 -0.03 0.00 0.00 54.58 51.71 2jql n ASN 52 Cb 0.59 -1.52 0.35 0.00 -0.61 0.00 0.00 39.78 38.59 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jql n ARG 53 N 4.17 1.82 0.00 3.52 0.63 -1.26 -4.72 116.66 120.82 2jql n ARG 53 Ca 0.49 -1.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.18 2jql n ARG 53 Cb 0.34 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.85 2jql n ARG 53 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2jql n ASN 54 N 0.47 0.00 -3.92 6.15 2.85 -0.85 -4.78 115.26 115.17 2jql n ASN 54 Ca 0.16 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.49 2jql n ASN 54 Cb 0.36 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.24 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jql s VAL 55 N 0.00 0.27 -0.07 3.44 1.01 -1.26 -1.99 120.40 121.80 2jql s VAL 55 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2jql s VAL 55 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.14 2jql s VAL 55 CO 0.00 0.09 -0.17 -0.89 0.00 0.00 0.00 175.10 174.12 2jql s THR 56 N 0.02 1.51 -0.15 3.92 2.01 0.44 -4.87 115.64 118.51 2jql s THR 56 Ca 0.00 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 2jql s THR 56 Cb -0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2jql s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jql s THR 57 N 0.44 4.82 -0.13 -0.82 -4.23 -1.26 -0.81 115.64 113.65 2jql s THR 57 Ca -0.14 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2jql s THR 57 Cb -0.16 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.57 2jql s THR 57 CO 0.05 0.52 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.89 2jql s ILE 58 N -0.12 1.41 0.00 2.99 1.01 -0.83 0.15 121.20 125.82 2jql s ILE 58 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2jql s ILE 58 Cb -0.12 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.01 2jql s ILE 58 CO 0.01 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2jql n GLY 59 N 4.65 -0.78 0.00 6.18 0.00 -0.96 -3.06 105.19 111.22 2jql n GLY 59 Ca -0.17 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.87 2jql n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jql n ARG 60 N 0.00 0.43 -1.48 1.61 0.63 -1.24 -2.55 116.66 114.05 2jql n ARG 60 Ca 0.00 -0.08 -0.37 0.00 -0.92 0.00 0.00 57.85 56.48 2jql n ARG 60 Cb 0.00 -1.21 0.06 0.00 0.45 0.00 0.00 32.46 31.75 2jql n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jql n SER 61 N -1.81 -0.00 0.05 6.15 2.88 -1.26 -4.92 113.62 114.70 2jql n SER 61 Ca -0.02 0.73 -0.17 0.00 -1.33 0.00 0.00 58.87 58.08 2jql n SER 61 Cb 0.24 -1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 62.31 2jql n SER 61 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jql h ARG 62 N 0.14 0.60 0.00 -1.46 3.08 -1.97 -3.14 114.38 111.62 2jql h ARG 62 Ca -0.47 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 58.95 2jql h ARG 62 Cb 1.37 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2jql h ARG 62 CO 0.48 1.23 0.00 0.77 -1.07 0.00 0.00 179.97 181.38 2jql h SER 63 N 0.35 0.00 -3.55 7.04 0.02 -2.00 -3.45 113.55 111.96 2jql h SER 63 Ca -0.10 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.31 2jql h SER 63 Cb 1.62 0.00 0.20 0.00 0.14 0.00 0.00 62.40 64.36 2jql h SER 63 CO 0.18 0.00 -0.30 0.00 -1.14 0.00 0.00 176.83 175.58 2jql h ASP 65 N -1.08 -0.32 -3.32 0.00 5.19 0.10 -3.45 116.42 113.54 2jql h ASP 65 Ca -0.45 0.01 -0.65 0.00 -0.62 0.00 0.00 57.03 55.32 2jql h ASP 65 Cb 1.31 0.08 -0.25 0.00 0.18 0.00 0.00 39.33 40.65 2jql h ASP 65 CO 0.39 0.13 -0.73 -0.69 -3.12 0.00 0.00 179.24 175.23 2jql s VAL 66 N -2.79 3.38 -0.44 -1.35 1.01 0.13 -4.93 120.40 115.40 2jql s VAL 66 Ca -0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 2jql s VAL 66 Cb 0.01 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.99 2jql s VAL 66 CO 0.17 0.51 0.34 0.27 0.00 0.00 0.00 175.10 176.39 2jql s ILE 67 N 0.39 5.02 1.33 2.22 -4.36 -1.26 -2.27 121.20 122.27 2jql s ILE 67 Ca -0.08 -1.02 -0.22 0.00 -0.26 0.00 0.00 60.65 59.07 2jql s ILE 67 Cb -0.15 -3.95 0.33 0.00 1.25 0.00 0.00 42.46 39.94 2jql s ILE 67 CO 0.04 -0.48 1.02 -0.76 0.24 0.00 0.00 174.94 175.00 2jql s LEU 68 N 1.61 -0.30 -0.79 0.37 1.43 -1.06 -4.97 118.68 114.97 2jql s LEU 68 Ca 0.04 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2jql s LEU 68 Cb -0.23 -2.23 0.29 0.00 0.03 0.00 0.00 46.19 44.05 2jql s LEU 68 CO 0.07 -4.84 1.09 -1.54 0.23 0.00 0.00 176.35 171.35 2jql n SER 69 N -5.26 4.96 -3.75 2.29 3.41 -1.26 -4.94 113.62 109.07 2jql n SER 69 Ca 0.14 -3.51 -0.16 0.00 -0.26 0.00 0.00 58.87 55.08 2jql n SER 69 Cb 0.60 -0.86 -0.16 0.00 -0.26 0.00 0.00 64.21 63.53 2jql n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jql s GLU 70 N -2.92 -0.05 0.41 4.33 0.41 -1.26 -4.84 118.70 114.78 2jql s GLU 70 Ca 0.39 0.22 0.29 0.00 -0.41 0.00 0.00 54.97 55.46 2jql s GLU 70 Cb 0.15 -0.30 1.37 0.00 -1.78 0.00 0.00 34.13 33.57 2jql s GLU 70 CO -0.01 -0.20 1.87 -1.00 -0.49 0.00 0.00 175.26 175.43 2jql h PRO 71 N 7.51 0.00 -0.19 0.39 0.13 -2.02 -2.62 132.00 135.19 2jql h PRO 71 Ca -0.40 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.56 2jql h PRO 71 Cb 1.12 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.03 2jql h PRO 71 CO 0.42 0.00 -0.75 -0.25 -0.23 0.00 0.00 178.00 177.19 2jql n ASP 72 N -2.57 2.18 -4.69 1.44 9.92 -1.26 -5.06 116.55 116.51 2jql n ASP 72 Ca -0.00 -3.25 -0.42 0.00 -0.53 0.00 0.00 54.79 50.59 2jql n ASP 72 Cb 0.16 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2jql s ILE 73 N -2.82 4.12 0.22 0.53 1.10 -0.99 -4.96 121.20 118.40 2jql s ILE 73 Ca 0.39 1.47 -0.32 0.00 -0.51 0.00 0.00 60.65 61.68 2jql s ILE 73 Cb 0.38 -3.94 -0.13 0.00 0.15 0.00 0.00 42.46 38.91 2jql s ILE 73 CO -0.07 0.02 1.49 -1.20 -2.11 0.00 0.00 174.94 173.07 2jql n SER 74 N 5.03 3.04 -0.26 4.50 7.64 -1.26 -3.96 113.62 128.35 2jql n SER 74 Ca 0.11 1.12 -0.03 0.00 1.01 0.00 0.00 58.87 61.08 2jql n SER 74 Cb 0.46 -1.45 0.14 0.00 -1.01 0.00 0.00 64.21 62.34 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jql h THR 75 N 3.28 1.24 -0.48 0.44 2.02 -1.92 -2.46 112.91 115.02 2jql h THR 75 Ca -0.45 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2jql h THR 75 Cb 1.26 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2jql h THR 75 CO 0.81 0.29 0.00 0.49 0.37 0.00 0.00 175.52 177.47 2jql n PHE 76 N -4.32 1.03 0.00 3.16 3.72 -1.26 -4.24 117.46 115.55 2jql n PHE 76 Ca 0.08 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2jql n PHE 76 Cb 0.13 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jql n HIS 77 N 0.64 0.00 -3.84 1.38 -0.00 -0.93 -4.62 115.22 107.85 2jql n HIS 77 Ca 0.21 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.29 2jql n HIS 77 Cb 0.73 -0.05 -0.06 0.00 -0.12 0.00 0.00 29.99 30.50 2jql n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jql s ALA 78 N -3.08 -0.44 -0.02 1.57 0.00 -1.17 -3.80 121.76 114.82 2jql s ALA 78 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2jql s ALA 78 Cb 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 2jql s ALA 78 CO 0.00 -0.69 -0.11 -1.83 0.00 0.00 0.00 175.76 173.13 2jql s GLU 79 N -3.91 1.00 -0.09 0.00 -1.05 -0.84 -1.96 118.70 111.85 2jql s GLU 79 Ca 0.12 -0.39 0.04 0.00 -0.15 0.00 0.00 54.97 54.59 2jql s GLU 79 Cb 0.02 -0.95 -0.00 0.00 -0.44 0.00 0.00 34.13 32.76 2jql s GLU 79 CO -0.03 0.21 -0.23 -0.06 0.95 0.00 0.00 175.26 176.09 2jql s PHE 80 N -0.11 2.56 -0.32 4.83 0.40 0.01 -1.89 117.98 123.46 2jql s PHE 80 Ca 0.02 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.25 2jql s PHE 80 Cb -0.06 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2jql s PHE 80 CO -0.00 -0.35 0.45 -1.01 0.70 0.00 0.00 175.22 175.01 2jql s HIS 81 N 0.21 3.21 -0.37 0.36 3.76 -0.69 0.17 115.29 121.94 2jql s HIS 81 Ca -0.14 0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 54.91 2jql s HIS 81 Cb -0.17 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.79 2jql s HIS 81 CO 0.07 -0.42 0.19 -1.17 -0.85 0.00 0.00 174.74 172.56 2jql s LEU 82 N 2.23 4.68 -0.02 0.89 1.98 -0.84 -1.94 118.68 125.66 2jql s LEU 82 Ca 0.17 -1.11 0.07 0.00 -2.89 0.00 0.00 54.13 50.37 2jql s LEU 82 Cb -0.16 -1.98 -0.02 0.00 0.66 0.00 0.00 46.19 44.70 2jql s LEU 82 CO 0.12 -0.39 -0.23 -0.22 -1.89 0.00 0.00 176.35 173.74 2jql s LEU 83 N 1.50 2.05 -0.14 -0.68 0.20 -1.15 -2.01 118.68 118.45 2jql s LEU 83 Ca 0.01 -0.41 -0.00 0.00 0.69 0.00 0.00 54.13 54.41 2jql s LEU 83 Cb -0.20 -1.17 -0.01 0.00 -0.43 0.00 0.00 46.19 44.37 2jql s LEU 83 CO 0.05 0.28 -0.12 0.00 -0.29 0.00 0.00 176.35 176.27 2jql s GLN 84 N -0.54 3.39 0.03 1.98 -2.07 -1.26 -2.84 119.66 118.35 2jql s GLN 84 Ca 0.09 -0.68 0.02 0.00 -1.82 0.00 0.00 55.36 52.97 2jql s GLN 84 Cb -0.09 -2.66 -0.02 0.00 -1.09 0.00 0.00 33.01 29.16 2jql s GLN 84 CO -0.01 0.19 -0.07 1.41 -1.32 0.00 0.00 175.29 175.50 2jql s MET 85 N 0.42 0.47 -0.27 9.60 1.75 -1.14 -5.06 119.30 125.06 2jql s MET 85 Ca -0.10 -0.62 -0.09 0.00 -1.25 0.00 0.00 55.69 53.63 2jql s MET 85 Cb -0.16 -0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.21 2jql s MET 85 CO 0.05 0.05 0.13 0.16 -0.65 0.00 0.00 175.02 174.76 2jql s ASP 86 N -1.27 5.57 -0.17 1.11 -4.77 -1.26 -1.40 116.67 114.49 2jql s ASP 86 Ca -0.08 -0.14 -0.00 0.00 -3.30 0.00 0.00 52.55 49.02 2jql s ASP 86 Cb -0.08 -2.02 0.04 0.00 -1.09 0.00 0.00 42.92 39.77 2jql s ASP 86 CO 0.00 -0.05 -0.07 0.68 0.70 0.00 0.00 175.17 176.43 2jql s VAL 87 N 1.68 1.25 -0.48 2.11 -7.23 0.43 -4.90 120.40 113.25 2jql s VAL 87 Ca 0.07 -0.69 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 2jql s VAL 87 Cb -0.16 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.43 2jql s VAL 87 CO 0.07 0.17 0.62 0.47 -0.31 0.00 0.00 175.10 176.12 2jql n ASP 88 N 4.83 -7.42 0.00 4.85 8.00 -1.26 -3.65 116.55 121.90 2jql n ASP 88 Ca -0.13 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2jql n ASP 88 Cb 0.48 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jql n ASN 89 N -0.54 0.00 -3.91 -2.24 2.85 -1.26 -4.78 115.26 105.38 2jql n ASN 89 Ca 0.05 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.23 2jql n ASN 89 Cb 0.51 0.00 0.23 0.00 1.24 0.00 0.00 39.78 41.76 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jql s PHE 90 N 0.00 0.67 -0.04 1.20 0.08 -1.24 -5.01 117.98 113.64 2jql s PHE 90 Ca 0.00 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.59 2jql s PHE 90 Cb 0.00 -3.45 0.03 0.00 -0.57 0.00 0.00 43.02 39.03 2jql s PHE 90 CO 0.00 -3.76 -0.00 1.14 -0.10 0.00 0.00 175.22 172.50 2jql s GLN 91 N -5.38 0.41 -0.04 0.44 -2.07 -1.26 -0.43 119.66 111.34 2jql s GLN 91 Ca 0.70 0.07 -0.03 0.00 -1.82 0.00 0.00 55.36 54.28 2jql s GLN 91 Cb -0.10 -0.61 -0.04 0.00 -1.09 0.00 0.00 33.01 31.17 2jql s GLN 91 CO 0.56 -0.16 0.11 1.03 -1.32 0.00 0.00 175.29 175.52 2jql s ARG 92 N 1.19 3.24 -0.14 9.60 0.52 -0.49 -4.91 118.95 127.96 2jql s ARG 92 Ca -0.07 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2jql s ARG 92 Cb -0.13 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 2jql s ARG 92 CO -0.02 0.69 -0.05 -0.80 0.02 0.00 0.00 175.30 175.14 2jql s ASN 93 N -1.56 4.68 -0.07 0.23 -0.87 -1.26 -2.89 114.94 113.20 2jql s ASN 93 Ca 0.22 -0.15 0.03 0.00 -1.57 0.00 0.00 52.86 51.39 2jql s ASN 93 Cb -0.12 -1.72 -0.02 0.00 -0.02 0.00 0.00 41.25 39.37 2jql s ASN 93 CO 0.12 0.18 -0.14 -0.76 -2.57 0.00 0.00 177.10 173.93 2jql s LEU 94 N 0.26 2.71 -0.01 0.60 1.02 -1.13 -4.94 118.68 117.18 2jql s LEU 94 Ca -0.04 -0.23 0.08 0.00 0.02 0.00 0.00 54.13 53.96 2jql s LEU 94 Cb -0.14 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 2jql s LEU 94 CO 0.03 0.31 -0.25 -0.63 0.02 0.00 0.00 176.35 175.83 2jql s ILE 95 N -0.50 1.95 0.01 -0.59 1.09 -1.15 -2.95 121.20 119.06 2jql s ILE 95 Ca 0.07 -1.08 0.05 0.00 -1.10 0.00 0.00 60.65 58.59 2jql s ILE 95 Cb -0.12 -1.63 -0.03 0.00 -1.06 0.00 0.00 42.46 39.62 2jql s ILE 95 CO 0.02 0.53 -0.13 0.21 -0.10 0.00 0.00 174.94 175.46 2jql s ASN 96 N -0.64 4.13 -0.17 3.58 2.47 -0.82 0.97 114.94 124.46 2jql s ASN 96 Ca 0.10 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.09 2jql s ASN 96 Cb -0.10 -0.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.90 2jql s ASN 96 CO -0.01 0.28 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.81 2jql s VAL 97 N -0.92 2.55 -0.11 -5.21 1.01 -0.08 -1.71 120.40 115.93 2jql s VAL 97 Ca 0.15 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2jql s VAL 97 Cb -0.11 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2jql s VAL 97 CO 0.05 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 2jql s ILE 98 N 1.05 1.28 -0.12 2.22 1.09 -0.79 -2.70 121.20 123.23 2jql s ILE 98 Ca -0.01 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 2jql s ILE 98 Cb -0.15 -1.21 -0.02 0.00 -1.06 0.00 0.00 42.46 40.03 2jql s ILE 98 CO -0.04 0.40 -0.13 -1.81 -0.10 0.00 0.00 174.94 173.26 2jql s ASP 99 N 1.22 4.02 -0.32 3.58 1.01 -1.26 -1.99 116.67 122.94 2jql s ASP 99 Ca -0.03 -0.31 0.17 0.00 0.71 0.00 0.00 52.55 53.08 2jql s ASP 99 Cb -0.14 -1.56 0.45 0.00 1.01 0.00 0.00 42.92 42.68 2jql s ASP 99 CO -0.04 0.18 1.27 2.29 0.21 0.00 0.00 175.17 179.08 2jql n LYS 100 N 3.43 1.44 -4.06 8.23 2.85 -1.25 -4.97 118.16 123.84 2jql n LYS 100 Ca -0.18 -2.45 -0.24 0.00 -1.05 0.00 0.00 58.31 54.39 2jql n LYS 100 Cb 0.53 -0.64 -0.05 0.00 -0.65 0.00 0.00 35.03 34.21 2jql n LYS 100 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jql n SER 101 N -0.84 2.42 -2.13 -5.58 7.64 -1.25 -4.97 113.62 108.91 2jql n SER 101 Ca -0.03 -2.76 -0.26 0.00 1.01 0.00 0.00 58.87 56.83 2jql n SER 101 Cb 0.84 0.48 0.02 0.00 -1.01 0.00 0.00 64.21 64.54 2jql n SER 101 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jql n ARG 102 N -0.91 3.48 -0.03 1.43 3.00 -1.26 -4.63 116.66 117.73 2jql n ARG 102 Ca -0.12 -4.11 -0.04 0.00 -0.01 0.00 0.00 57.85 53.57 2jql n ARG 102 Cb 0.51 -2.28 -0.04 0.00 0.00 0.00 0.00 32.46 30.64 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jql n ASN 103 N -0.70 3.42 0.00 0.55 4.13 -1.26 -5.12 115.26 116.28 2jql n ASN 103 Ca 0.46 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.70 2jql n ASN 103 Cb 0.88 0.32 0.00 0.00 -1.54 0.00 0.00 39.78 39.44 2jql n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jql n GLY 104 N 2.83 1.62 2.91 7.41 0.00 -1.26 -4.55 105.19 114.15 2jql n GLY 104 Ca -0.12 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 2jql n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s THR 105 N 0.00 0.77 -0.21 2.61 2.01 -1.26 -1.10 115.64 118.45 2jql s THR 105 Ca 0.00 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2jql s THR 105 Cb 0.00 -0.78 0.04 0.00 0.01 0.00 0.00 72.50 71.77 2jql s THR 105 CO 0.00 0.29 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.72 2jql s PHE 106 N 1.19 2.87 -0.04 4.92 0.40 -0.52 -2.92 117.98 123.88 2jql s PHE 106 Ca -0.06 -1.88 0.07 0.00 -0.60 0.00 0.00 56.93 54.45 2jql s PHE 106 Cb -0.14 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 2jql s PHE 106 CO -0.02 -0.82 -0.25 -1.50 0.70 0.00 0.00 175.22 173.34 2jql s ILE 107 N 1.25 2.00 -1.44 0.64 -1.16 -0.53 -0.65 121.20 121.30 2jql s ILE 107 Ca -0.02 -1.05 0.00 0.00 -0.51 0.00 0.00 60.65 59.07 2jql s ILE 107 Cb -0.16 -1.68 0.00 0.00 0.61 0.00 0.00 42.46 41.23 2jql s ILE 107 CO -0.09 0.56 0.00 0.59 -2.81 0.00 0.00 174.94 173.19 2jql n ASN 108 N 2.78 -4.93 -0.13 4.50 5.03 -0.10 -1.69 115.26 120.71 2jql n ASN 108 Ca -0.17 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.27 2jql n ASN 108 Cb 0.52 -4.03 -0.01 0.00 -1.02 0.00 0.00 39.78 35.24 2jql n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 109 N -1.01 0.44 3.01 7.41 0.00 -1.26 -4.99 105.19 108.79 2jql n GLY 109 Ca -0.20 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2jql n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jql s ASN 110 N -2.18 0.94 0.22 1.61 2.20 -0.68 -5.13 114.94 111.92 2jql s ASN 110 Ca 0.00 -0.19 -0.30 0.00 -0.94 0.00 0.00 52.86 51.43 2jql s ASN 110 Cb 0.00 -0.09 -0.09 0.00 -2.00 0.00 0.00 41.25 39.07 2jql s ASN 110 CO 0.00 0.07 1.27 -0.60 -2.94 0.00 0.00 177.10 174.90 2jql s ARG 111 N -0.35 4.42 -0.19 3.55 3.52 -1.26 -1.46 118.95 127.18 2jql s ARG 111 Ca 0.02 2.02 -0.26 0.00 -0.13 0.00 0.00 55.73 57.38 2jql s ARG 111 Cb -0.04 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2jql s ARG 111 CO -0.00 -0.18 0.86 -1.17 -0.81 0.00 0.00 175.30 173.99 2jql s LEU 112 N -0.40 4.15 -0.06 -0.88 0.20 -1.15 -4.89 118.68 115.65 2jql s LEU 112 Ca 0.54 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.54 2jql s LEU 112 Cb -0.36 -3.26 -0.04 0.00 -0.43 0.00 0.00 46.19 42.10 2jql s LEU 112 CO 0.40 -0.45 -0.05 1.33 -0.29 0.00 0.00 176.35 177.28 2jql n VAL 113 N 4.89 0.34 -0.33 1.68 0.24 -1.26 -4.93 118.33 118.96 2jql n VAL 113 Ca 0.06 -0.13 -0.27 0.00 -2.04 0.00 0.00 64.34 61.96 2jql n VAL 113 Cb 0.48 -0.78 0.25 0.00 -1.47 0.00 0.00 33.84 32.32 2jql n VAL 113 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2jql n LYS 114 N -2.72 -4.26 -0.03 7.34 3.00 -1.26 -5.01 118.16 115.22 2jql n LYS 114 Ca -0.11 -1.32 -0.03 0.00 -0.00 0.00 0.00 58.31 56.85 2jql n LYS 114 Cb 0.61 -1.62 -0.04 0.00 0.00 0.00 0.00 35.03 33.98 2jql n LYS 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jql n LYS 115 N -5.18 2.10 -3.26 1.64 4.01 -1.26 -4.67 118.16 111.53 2jql n LYS 115 Ca 0.12 0.01 -0.37 0.00 -0.51 0.00 0.00 58.31 57.56 2jql n LYS 115 Cb 0.52 -1.14 -0.03 0.00 -0.51 0.00 0.00 35.03 33.87 2jql n LYS 115 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2jql n ASP 116 N -2.38 5.22 -4.77 4.39 9.92 -1.26 -4.29 116.55 123.39 2jql n ASP 116 Ca -0.10 -3.35 -0.40 0.00 -0.53 0.00 0.00 54.79 50.42 2jql n ASP 116 Cb 0.66 -1.07 -0.06 0.00 -0.64 0.00 0.00 41.12 40.02 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jql s TYR 117 N -2.35 3.88 -0.30 1.24 6.14 -1.10 -4.94 117.35 119.92 2jql s TYR 117 Ca 0.33 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.53 2jql s TYR 117 Cb 0.04 -2.79 -0.03 0.00 0.42 0.00 0.00 41.96 39.60 2jql s TYR 117 CO 0.02 0.46 0.27 -1.50 0.64 0.00 0.00 175.55 175.44 2jql s ILE 118 N -0.90 5.25 -0.10 3.14 1.10 -1.26 -0.91 121.20 127.52 2jql s ILE 118 Ca 0.37 0.13 -0.04 0.00 -0.51 0.00 0.00 60.65 60.59 2jql s ILE 118 Cb -0.23 -3.66 -0.04 0.00 0.15 0.00 0.00 42.46 38.69 2jql s ILE 118 CO 0.26 0.11 0.08 -0.22 -2.11 0.00 0.00 174.94 173.05 2jql s LEU 119 N 1.86 4.02 0.34 8.50 0.20 0.27 -4.95 118.68 128.93 2jql s LEU 119 Ca 0.09 0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.27 2jql s LEU 119 Cb -0.16 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 2jql s LEU 119 CO 0.11 0.39 0.17 -0.75 -0.29 0.00 0.00 176.35 175.97 2jql s LYS 120 N -1.00 1.73 0.41 1.98 2.20 -1.26 -2.94 119.74 120.87 2jql s LYS 120 Ca 0.15 -2.02 -0.26 0.00 -0.36 0.00 0.00 55.97 53.47 2jql s LYS 120 Cb -0.12 -0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 35.88 2jql s LYS 120 CO 0.04 -0.48 1.41 0.27 -0.36 0.00 0.00 175.35 176.22 2jql n ASN 121 N -1.15 3.28 -1.81 1.43 6.94 -1.26 -3.57 115.26 119.13 2jql n ASN 121 Ca -0.00 1.16 -0.05 0.00 -0.02 0.00 0.00 54.58 55.67 2jql n ASN 121 Cb 0.65 -1.58 0.02 0.00 -2.36 0.00 0.00 39.78 36.51 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jql n GLY 122 N 0.60 0.23 3.00 4.83 0.00 -0.91 -5.02 105.19 107.92 2jql n GLY 122 Ca 0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2jql n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jql s ASP 123 N -3.31 1.33 -0.23 1.61 1.01 -1.17 -5.01 116.67 110.90 2jql s ASP 123 Ca 0.04 -0.21 -0.08 0.00 0.71 0.00 0.00 52.55 53.01 2jql s ASP 123 Cb -0.01 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 2jql s ASP 123 CO 0.22 0.05 0.10 -0.60 0.21 0.00 0.00 175.17 175.15 2jql s ARG 124 N 0.33 3.87 -0.12 8.23 3.52 -1.26 -1.07 118.95 132.44 2jql s ARG 124 Ca -0.06 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2jql s ARG 124 Cb -0.11 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 2jql s ARG 124 CO 0.01 0.01 -0.21 0.42 -0.81 0.00 0.00 175.30 174.72 2jql s ILE 125 N 1.12 1.97 -0.12 4.11 1.09 0.79 -0.93 121.20 129.23 2jql s ILE 125 Ca 0.05 -0.93 -0.02 0.00 -1.10 0.00 0.00 60.65 58.65 2jql s ILE 125 Cb -0.14 -1.74 -0.03 0.00 -1.06 0.00 0.00 42.46 39.50 2jql s ILE 125 CO 0.04 0.53 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.68 2jql s VAL 126 N 0.72 3.84 -0.10 2.92 1.01 0.17 -1.96 120.40 127.01 2jql s VAL 126 Ca -0.10 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2jql s VAL 126 Cb -0.16 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 2jql s VAL 126 CO 0.01 0.54 -0.24 -0.36 0.00 0.00 0.00 175.10 175.05 2jql s PHE 127 N -0.10 2.56 0.00 5.22 0.08 0.87 -1.43 117.98 125.17 2jql s PHE 127 Ca 0.02 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.08 2jql s PHE 127 Cb -0.13 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2jql s PHE 127 CO 0.03 -0.39 0.00 0.41 -0.10 0.00 0.00 175.22 175.17 2jql n GLY 128 N 3.45 2.06 0.00 4.36 0.00 -0.26 -3.11 105.19 111.69 2jql n GLY 128 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2jql n GLY 128 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jql n LYS 129 N 0.00 0.00 -0.09 1.61 2.85 -1.26 -4.71 118.16 116.56 2jql n LYS 129 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2jql n LYS 129 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jql n SER 130 N 0.00 2.28 -4.55 -5.58 3.41 -1.26 -4.92 113.62 102.99 2jql n SER 130 Ca 0.00 -0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2jql n SER 130 Cb 0.00 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 2jql n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jql s SER 132 N 10.10 2.52 0.04 0.00 0.15 -1.26 -0.09 113.70 125.17 2jql s SER 132 Ca 1.03 -0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.19 2jql s SER 132 Cb -0.38 -1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 2jql s SER 132 CO 0.33 0.03 0.04 0.72 1.20 0.00 0.00 173.24 175.57 2jql s PHE 133 N 0.91 0.31 -0.13 3.44 -0.12 -0.83 0.11 117.98 121.68 2jql s PHE 133 Ca -0.08 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 2jql s PHE 133 Cb -0.15 -0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.02 2jql s PHE 133 CO -0.01 -0.35 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.45 2jql s LEU 134 N -2.32 1.94 0.05 -1.99 0.20 -0.88 -0.15 118.68 115.53 2jql s LEU 134 Ca -0.02 -0.53 -0.15 0.00 0.69 0.00 0.00 54.13 54.11 2jql s LEU 134 Cb 0.01 -1.30 -0.06 0.00 -0.43 0.00 0.00 46.19 44.41 2jql s LEU 134 CO -0.06 0.05 0.47 0.12 -0.29 0.00 0.00 176.35 176.63 2jql s PHE 135 N 0.92 3.71 0.02 5.38 5.36 -0.23 -2.84 117.98 130.30 2jql s PHE 135 Ca -0.06 1.04 -0.21 0.00 -0.96 0.00 0.00 56.93 56.75 2jql s PHE 135 Cb -0.15 -2.33 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 2jql s PHE 135 CO -0.02 0.58 0.47 0.21 -1.46 0.00 0.00 175.22 175.00 2jql s LYS 136 N -1.33 0.94 0.25 10.12 2.36 -1.09 -2.15 119.74 128.84 2jql s LYS 136 Ca 0.28 -0.22 -0.30 0.00 -2.55 0.00 0.00 55.97 53.19 2jql s LYS 136 Cb -0.17 0.43 -0.09 0.00 -1.05 0.00 0.00 37.83 36.95 2jql s LYS 136 CO 0.16 -0.32 0.99 0.71 1.55 0.00 0.00 175.35 178.44 2jql s TYR 137 N -2.13 3.87 -0.27 4.03 2.02 -1.26 -1.99 117.35 121.62 2jql s TYR 137 Ca -0.07 1.85 -0.09 0.00 -0.37 0.00 0.00 57.07 58.39 2jql s TYR 137 Cb -0.01 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.44 2jql s TYR 137 CO 0.00 0.17 0.13 0.00 -1.57 0.00 0.00 175.55 174.28 2jql s ALA 138 N -1.14 3.36 0.25 3.71 0.00 -0.30 -4.84 121.76 122.80 2jql s ALA 138 Ca 0.42 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2jql s ALA 138 Cb -0.28 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 2jql s ALA 138 CO 0.34 -0.52 0.07 0.43 0.00 0.00 0.00 175.76 176.08 2jql n SER 139 N 5.00 1.44 0.14 0.00 7.64 -1.26 -4.70 113.62 121.88 2jql n SER 139 Ca -0.15 -2.28 -0.06 0.00 1.01 0.00 0.00 58.87 57.39 2jql n SER 139 Cb 0.52 0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 64.22 2jql n SER 139 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2jql h SER 140 N 0.91 -0.31 -4.02 6.43 0.87 -2.01 -3.48 113.55 111.93 2jql h SER 140 Ca -0.20 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.49 2jql h SER 140 Cb 0.72 0.08 -0.23 0.00 -0.44 0.00 0.00 62.40 62.53 2jql h SER 140 CO 0.32 -0.18 0.62 -0.55 -0.53 0.00 0.00 176.83 176.51 2jql s SER 141 N -3.01 -0.30 0.42 6.23 0.15 -1.26 -5.18 113.70 110.74 2jql s SER 141 Ca -0.05 0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.93 2jql s SER 141 Cb 0.01 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 2jql s SER 141 CO 0.16 -0.31 0.59 -0.44 1.20 0.00 0.00 173.24 174.44 2jql s SER 142 N -1.29 5.72 -0.33 5.45 0.01 -1.26 -5.06 113.70 116.95 2jql s SER 142 Ca 0.01 -0.14 0.16 0.00 1.31 0.00 0.00 55.95 57.29 2jql s SER 142 Cb -0.01 -1.04 0.45 0.00 0.21 0.00 0.00 66.02 65.63 2jql s SER 142 CO -0.01 -0.71 1.21 0.35 0.41 0.00 0.00 173.24 174.48 2jql n THR 143 N -1.91 0.65 -2.35 1.44 -2.24 -1.26 -5.11 114.28 103.50 2jql n THR 143 Ca 0.04 -2.26 -0.42 0.00 -2.27 0.00 0.00 64.05 59.14 2jql n THR 143 Cb 0.59 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 2jql n THR 143 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2jql s ASP 144 N -2.49 6.97 0.00 3.42 -4.77 -1.26 -5.00 116.67 113.54 2jql s ASP 144 Ca 0.22 2.01 0.00 0.00 -3.30 0.00 0.00 52.55 51.48 2jql s ASP 144 Cb 0.41 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.67 2jql s ASP 144 CO -0.04 -0.60 0.00 -0.38 0.70 0.00 0.00 175.17 174.84 2jql n ILE 145 N 4.38 0.00 -1.37 2.11 5.41 -1.26 -5.09 119.36 123.54 2jql n ILE 145 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.90 2jql n ILE 145 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.36 2jql n ILE 145 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2jql n GLU 146 N 0.00 -3.51 -2.71 0.38 1.02 -1.26 -4.97 120.64 109.60 2jql n GLU 146 Ca 0.00 2.75 -0.03 0.00 -0.02 0.00 0.00 57.16 59.86 2jql n GLU 146 Cb 0.00 -3.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.88 2jql n GLU 146 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2jql n ASN 147 N -2.86 -7.69 -4.73 1.62 2.85 -1.26 -4.97 115.26 98.22 2jql n ASN 147 Ca -0.02 0.99 -0.31 0.00 -0.11 0.00 0.00 54.58 55.12 2jql n ASN 147 Cb 0.47 -5.14 0.11 0.00 1.24 0.00 0.00 39.78 36.47 2jql n ASN 147 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2jql s ASP 148 N -1.98 4.00 -0.05 1.20 1.01 -1.26 -4.99 116.67 114.60 2jql s ASP 148 Ca 0.10 1.99 0.24 0.00 0.71 0.00 0.00 52.55 55.59 2jql s ASP 148 Cb -0.03 -2.54 0.44 0.00 1.01 0.00 0.00 42.92 41.80 2jql s ASP 148 CO 0.74 -2.38 1.17 0.47 0.21 0.00 0.00 175.17 175.38 2jql n ASP 149 N -3.64 1.19 -4.69 0.27 9.92 -1.26 -5.07 116.55 113.27 2jql n ASP 149 Ca 0.10 -2.24 -0.38 0.00 -0.53 0.00 0.00 54.79 51.75 2jql n ASP 149 Cb 0.52 -0.34 -0.07 0.00 -0.64 0.00 0.00 41.12 40.59 2jql n ASP 149 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2jql s GLU 150 N -0.79 4.21 0.98 -1.24 2.02 -1.26 -5.08 118.70 117.54 2jql s GLU 150 Ca 0.34 0.22 -0.16 0.00 0.02 0.00 0.00 54.97 55.39 2jql s GLU 150 Cb 0.38 -3.50 0.21 0.00 0.10 0.00 0.00 34.13 31.31 2jql s GLU 150 CO -0.14 0.03 1.30 0.21 0.02 0.00 0.00 175.26 176.68 2jql s LYS 151 N 1.08 0.49 -0.43 1.61 2.20 -1.26 -4.97 119.74 118.46 2jql s LYS 151 Ca 0.20 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2jql s LYS 151 Cb -0.14 -1.83 0.58 0.00 -1.51 0.00 0.00 37.83 34.93 2jql s LYS 151 CO 0.08 -2.52 1.86 1.33 -0.36 0.00 0.00 175.35 175.74 2jql n VAL 152 N -3.85 3.07 -3.54 4.02 0.24 -1.26 -4.82 118.33 112.19 2jql n VAL 152 Ca 0.15 -1.86 -0.02 0.00 -2.04 0.00 0.00 64.34 60.57 2jql n VAL 152 Cb 0.59 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.31 2jql n VAL 152 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jql s SER 153 N -1.14 -0.91 0.41 -1.34 0.15 -1.26 -5.17 113.70 104.45 2jql s SER 153 Ca 0.53 1.23 0.04 0.00 0.70 0.00 0.00 55.95 58.44 2jql s SER 153 Cb 0.44 1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 66.73 2jql s SER 153 CO 0.09 -0.24 0.13 -1.20 1.20 0.00 0.00 173.24 173.22 2jql n SER 154 N 5.43 1.43 -1.98 5.45 7.64 -1.26 -5.05 113.62 125.28 2jql n SER 154 Ca -0.09 -3.16 -0.19 0.00 1.01 0.00 0.00 58.87 56.44 2jql n SER 154 Cb 0.50 0.96 0.18 0.00 -1.01 0.00 0.00 64.21 64.84 2jql n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jql n GLU 155 N -0.94 2.15 -2.86 1.43 1.02 -1.26 -4.96 120.64 115.21 2jql n GLU 155 Ca -0.07 -3.06 -0.08 0.00 -0.02 0.00 0.00 57.16 53.93 2jql n GLU 155 Cb 0.61 -2.10 0.01 0.00 -0.02 0.00 0.00 31.44 29.95 2jql n GLU 155 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jql n SER 156 N -1.15 -7.86 -4.42 1.62 7.64 -1.26 -4.91 113.62 103.28 2jql n SER 156 Ca 0.54 0.63 -0.44 0.00 1.01 0.00 0.00 58.87 60.61 2jql n SER 156 Cb 1.53 -5.20 -0.04 0.00 -1.01 0.00 0.00 64.21 59.49 2jql n SER 156 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jql s ARG 157 N -2.45 3.18 -0.08 1.43 6.06 -1.26 -4.85 118.95 120.97 2jql s ARG 157 Ca 0.22 -1.18 -0.09 0.00 -2.50 0.00 0.00 55.73 52.18 2jql s ARG 157 Cb -0.06 -4.36 -0.29 0.00 0.06 0.00 0.00 34.95 30.31 2jql s ARG 157 CO 0.77 -1.71 0.52 1.03 -2.50 0.00 0.00 175.30 173.41 2jql h SER 158 N 9.29 0.52 0.00 -2.12 0.87 -2.06 -3.55 113.55 116.50 2jql h SER 158 Ca -0.21 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.41 2jql h SER 158 Cb 1.07 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2jql h SER 158 CO 1.13 1.82 0.00 0.00 -0.53 0.00 0.00 176.83 179.26