#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql s ARG 20 N 0.00 2.18 0.00 1.97 3.00 -1.26 -5.03 118.95 119.81 2jql s ARG 20 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 55.73 53.75 2jql s ARG 20 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 33.07 2jql s ARG 20 CO 0.00 -0.20 0.00 1.04 0.00 0.00 0.00 175.30 176.14 2jql n GLN 21 N -1.26 0.00 -1.17 3.54 6.02 -1.26 -4.94 117.38 118.31 2jql n GLN 21 Ca -0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.71 2jql n GLN 21 Cb 0.65 0.00 0.16 0.00 1.02 0.00 0.00 30.24 32.07 2jql n GLN 21 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jql n GLN 22 N -2.08 2.23 -4.35 -1.09 6.02 -1.26 -4.93 117.38 111.92 2jql n GLN 22 Ca 0.00 -2.85 -0.21 0.00 -0.01 0.00 0.00 57.00 53.92 2jql n GLN 22 Cb 0.00 -2.12 -0.08 0.00 1.02 0.00 0.00 30.24 29.06 2jql n GLN 22 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2jql s ARG 23 N -3.16 1.83 0.00 -1.09 0.52 -1.26 -5.08 118.95 110.72 2jql s ARG 23 Ca 0.54 -2.09 0.05 0.00 -0.52 0.00 0.00 55.73 53.71 2jql s ARG 23 Cb 0.45 0.11 0.08 0.00 0.52 0.00 0.00 34.95 36.10 2jql s ARG 23 CO 0.09 -0.63 0.98 -1.13 0.02 0.00 0.00 175.30 174.63 2jql n SER 24 N -1.57 -0.52 -2.38 0.23 3.41 -1.26 -5.10 113.62 106.43 2jql n SER 24 Ca 0.04 -1.90 -0.01 0.00 -0.26 0.00 0.00 58.87 56.75 2jql n SER 24 Cb 0.63 0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2jql n SER 24 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jql n ASN 25 N 0.09 -8.51 -4.72 4.04 5.15 -1.26 -4.86 115.26 105.19 2jql n ASN 25 Ca -0.18 1.81 -0.42 0.00 -0.60 0.00 0.00 54.58 55.19 2jql n ASN 25 Cb 0.76 -5.13 -0.03 0.00 -0.53 0.00 0.00 39.78 34.85 2jql n ASN 25 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2jql s LYS 26 N -0.59 4.25 0.90 1.20 -2.85 -1.26 -4.97 119.74 116.41 2jql s LYS 26 Ca -0.03 2.29 -0.12 0.00 -1.00 0.00 0.00 55.97 57.12 2jql s LYS 26 Cb 0.00 -3.16 0.10 0.00 -2.06 0.00 0.00 37.83 32.71 2jql s LYS 26 CO 0.07 -0.53 0.96 -2.30 0.10 0.00 0.00 175.35 173.65 2jql n PRO 27 N 3.56 -0.27 -1.50 1.78 -0.02 -1.26 -4.98 135.00 132.31 2jql n PRO 27 Ca 0.12 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2jql n PRO 27 Cb 0.40 -2.24 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 -3.20 0.41 -2.81 2.55 2.88 -1.26 -5.00 113.62 107.20 2jql n SER 28 Ca 0.11 -2.01 -0.01 0.00 -1.33 0.00 0.00 58.87 55.63 2jql n SER 28 Cb 0.52 -0.12 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 2jql n SER 28 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jql s SER 29 N -1.83 -0.68 0.57 -3.46 0.15 -1.26 -5.17 113.70 102.01 2jql s SER 29 Ca 0.23 -0.56 0.06 0.00 0.70 0.00 0.00 55.95 56.38 2jql s SER 29 Cb 0.28 0.88 0.06 0.00 -1.71 0.00 0.00 66.02 65.52 2jql s SER 29 CO -0.11 -0.05 0.47 -0.70 1.20 0.00 0.00 173.24 174.04 2jql s GLU 30 N 1.46 2.23 0.00 5.44 2.56 -1.26 -5.15 118.70 123.99 2jql s GLU 30 Ca 0.20 -2.03 0.00 0.00 0.00 0.00 0.00 54.97 53.14 2jql s GLU 30 Cb 0.05 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 34.03 2jql s GLU 30 CO -0.11 -0.72 0.00 0.66 -0.56 0.00 0.00 175.26 174.53 2jql n TYR 31 N -1.87 0.00 -3.88 5.30 4.02 -1.26 -5.13 117.16 114.34 2jql n TYR 31 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2jql n TYR 31 Cb 0.64 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.83 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jql s THR 32 N 2.72 0.01 0.52 -0.72 2.01 -1.26 -5.03 115.64 113.89 2jql s THR 32 Ca 0.00 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 2jql s THR 32 Cb 0.00 -0.05 -0.06 0.00 0.01 0.00 0.00 72.50 72.40 2jql s THR 32 CO 0.00 -0.06 1.40 0.00 -0.69 0.00 0.00 174.62 175.27 2jql n LEU 34 N -0.77 0.00 -3.88 0.00 7.99 -0.60 -4.86 117.00 114.88 2jql n LEU 34 Ca 0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.00 2jql n LEU 34 Cb 0.44 0.11 -0.01 0.00 -0.11 0.00 0.00 43.42 43.84 2jql n LEU 34 CO 0.55 -0.30 0.42 -0.83 -1.51 0.00 0.00 177.39 175.72 2jql s GLY 35 N -3.31 0.36 0.14 -0.72 0.00 -0.83 0.01 107.32 102.96 2jql s GLY 35 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 2jql s GLY 35 CO 0.00 -0.35 0.05 0.30 0.00 0.00 0.00 173.10 173.10 2jql s HIS 36 N -3.15 0.91 -0.22 1.90 3.76 -0.42 0.11 115.29 118.19 2jql s HIS 36 Ca 0.16 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 2jql s HIS 36 Cb -0.04 -0.51 0.06 0.00 1.11 0.00 0.00 32.58 33.19 2jql s HIS 36 CO 0.11 -0.48 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.96 2jql s LEU 37 N -3.07 2.25 -0.25 0.89 1.43 -0.60 -2.97 118.68 116.37 2jql s LEU 37 Ca 0.24 -1.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 2jql s LEU 37 Cb 0.07 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 2jql s LEU 37 CO 0.02 -0.24 0.35 -0.69 0.23 0.00 0.00 176.35 176.02 2jql s VAL 38 N 1.49 5.20 -0.11 -1.59 1.01 -1.06 -1.11 120.40 124.23 2jql s VAL 38 Ca -0.04 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 2jql s VAL 38 Cb -0.18 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2jql s VAL 38 CO -0.07 0.20 0.54 0.20 0.00 0.00 0.00 175.10 175.97 2jql s ASN 39 N 1.49 6.76 -0.47 3.32 0.01 0.63 -1.84 114.94 124.84 2jql s ASN 39 Ca 0.15 0.91 -0.17 0.00 -0.71 0.00 0.00 52.86 53.04 2jql s ASN 39 Cb -0.15 -2.32 0.06 0.00 0.41 0.00 0.00 41.25 39.24 2jql s ASN 39 CO 0.09 -0.04 0.45 -0.76 -1.51 0.00 0.00 177.10 175.34 2jql s LEU 40 N 0.71 5.30 -0.01 0.60 1.02 0.14 -2.96 118.68 123.48 2jql s LEU 40 Ca 0.29 -1.09 0.06 0.00 0.02 0.00 0.00 54.13 53.41 2jql s LEU 40 Cb -0.16 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 2jql s LEU 40 CO 0.12 -0.68 -0.20 -0.63 0.02 0.00 0.00 176.35 174.98 2jql s ILE 41 N 1.97 1.58 -1.07 -0.59 1.01 -1.21 -4.55 121.20 118.35 2jql s ILE 41 Ca 0.08 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 2jql s ILE 41 Cb -0.21 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 2jql s ILE 41 CO 0.09 0.43 1.96 -0.81 0.00 0.00 0.00 174.94 176.61 2jql n PRO 42 N 2.53 1.99 0.00 2.79 -0.04 -1.26 -2.55 135.00 138.47 2jql n PRO 42 Ca -0.15 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2jql n PRO 42 Cb 0.53 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 2jql n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jql n GLY 43 N 4.90 0.22 3.62 0.55 0.00 -1.26 -5.14 105.19 108.08 2jql n GLY 43 Ca 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 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 0.17 0.21 1.61 2.47 -1.06 -5.18 119.74 117.97 2jql s LYS 44 Ca 0.00 -0.01 0.08 0.00 -1.56 0.00 0.00 55.97 54.48 2jql s LYS 44 Cb 0.00 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.41 2jql s LYS 44 CO 0.00 -0.06 0.05 -1.83 0.16 0.00 0.00 175.35 173.67 2jql s GLU 45 N -1.56 2.53 -0.02 4.03 -1.05 -1.26 -3.29 118.70 118.08 2jql s GLU 45 Ca 0.08 -1.15 0.02 0.00 -0.15 0.00 0.00 54.97 53.78 2jql s GLU 45 Cb -0.01 -2.38 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2jql s GLU 45 CO -0.05 0.42 -0.08 -1.14 0.95 0.00 0.00 175.26 175.37 2jql s GLN 46 N -3.32 0.82 -0.09 -4.83 0.74 -1.16 -4.97 119.66 106.86 2jql s GLN 46 Ca 0.30 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.47 2jql s GLN 46 Cb -0.08 -0.78 -0.02 0.00 1.10 0.00 0.00 33.01 33.22 2jql s GLN 46 CO 0.21 0.09 -0.12 -1.59 -0.55 0.00 0.00 175.29 173.33 2jql s LYS 47 N 0.21 3.00 0.12 1.67 -2.85 -1.26 -0.27 119.74 120.37 2jql s LYS 47 Ca -0.03 -0.65 0.10 0.00 -1.00 0.00 0.00 55.97 54.39 2jql s LYS 47 Cb -0.08 -2.56 -0.04 0.00 -2.06 0.00 0.00 37.83 33.09 2jql s LYS 47 CO 0.00 0.43 -0.24 0.08 0.10 0.00 0.00 175.35 175.72 2jql s VAL 48 N -0.21 2.42 -0.18 1.79 1.01 -0.27 -4.92 120.40 120.04 2jql s VAL 48 Ca 0.01 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.24 2jql s VAL 48 Cb -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2jql s VAL 48 CO 0.03 0.11 0.12 -1.61 0.00 0.00 0.00 175.10 173.75 2jql s GLU 49 N -2.03 3.95 -0.24 2.72 2.02 -1.26 -1.55 118.70 122.31 2jql s GLU 49 Ca 0.15 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 2jql s GLU 49 Cb -0.10 -3.32 0.03 0.00 0.10 0.00 0.00 34.13 30.84 2jql s GLU 49 CO 0.07 0.41 -0.08 0.42 0.02 0.00 0.00 175.26 176.10 2jql s ILE 50 N 0.02 2.73 0.39 -1.63 -1.09 0.31 -4.94 121.20 116.99 2jql s ILE 50 Ca 0.09 -1.08 0.07 0.00 -2.23 0.00 0.00 60.65 57.51 2jql s ILE 50 Cb -0.11 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.37 2jql s ILE 50 CO -0.00 0.21 0.46 0.42 -1.23 0.00 0.00 174.94 174.79 2jql s THR 51 N 1.30 3.26 -1.34 2.92 -4.23 -1.26 -1.56 115.64 114.73 2jql s THR 51 Ca -0.00 -1.14 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 2jql s THR 51 Cb -0.17 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.49 2jql s THR 51 CO -0.05 -0.06 2.53 -0.46 -0.54 0.00 0.00 174.62 176.03 2jql n ASN 52 N -1.66 6.38 -0.21 3.99 0.23 -1.19 -4.53 115.26 118.29 2jql n ASN 52 Ca 0.04 -2.56 0.13 0.00 -0.53 0.00 0.00 54.58 51.65 2jql n ASN 52 Cb 0.60 -1.42 0.66 0.00 -2.08 0.00 0.00 39.78 37.54 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jql n ARG 53 N 4.49 1.28 0.00 -3.83 0.63 -1.26 -4.89 116.66 113.08 2jql n ARG 53 Ca 0.63 -0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 2jql n ARG 53 Cb 0.25 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.73 2jql n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jql n ASN 54 N -0.45 0.00 -3.87 6.15 3.02 -0.86 -4.77 115.26 114.48 2jql n ASN 54 Ca 0.19 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.58 2jql n ASN 54 Cb 0.19 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jql s VAL 55 N 0.00 0.23 -0.14 2.41 1.01 -1.26 -1.73 120.40 120.91 2jql s VAL 55 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2jql s VAL 55 Cb 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2jql s VAL 55 CO 0.00 0.12 -0.13 -0.89 0.00 0.00 0.00 175.10 174.20 2jql s THR 56 N 0.51 1.47 -0.16 3.92 2.01 0.52 -4.88 115.64 119.03 2jql s THR 56 Ca -0.05 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2jql s THR 56 Cb -0.08 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2jql s THR 56 CO -0.01 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jql s THR 57 N 1.53 4.79 -0.20 -0.82 -4.23 -1.26 0.91 115.64 116.35 2jql s THR 57 Ca 0.05 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 2jql s THR 57 Cb -0.13 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.59 2jql s THR 57 CO -0.10 0.50 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.74 2jql s ILE 58 N -0.00 2.78 0.00 2.99 1.09 -0.57 0.94 121.20 128.42 2jql s ILE 58 Ca 0.06 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 2jql s ILE 58 Cb -0.12 -2.24 0.00 0.00 -1.06 0.00 0.00 42.46 39.04 2jql s ILE 58 CO 0.01 0.46 0.00 0.61 -0.10 0.00 0.00 174.94 175.92 2jql n GLY 59 N 4.71 -0.44 0.00 6.18 0.00 -0.95 -3.00 105.19 111.70 2jql n GLY 59 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.92 -1.54 1.61 3.00 -1.22 -2.63 116.66 118.80 2jql n ARG 60 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.85 57.38 2jql n ARG 60 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 32.46 31.54 2jql n ARG 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jql n SER 61 N -1.61 0.70 0.23 6.15 2.88 -1.26 -4.84 113.62 115.86 2jql n SER 61 Ca 0.00 1.16 0.06 0.00 -1.33 0.00 0.00 58.87 58.75 2jql n SER 61 Cb 0.35 -1.18 0.53 0.00 -0.75 0.00 0.00 64.21 63.16 2jql n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jql h ARG 62 N 2.23 0.01 0.00 -1.46 1.12 -1.97 -1.56 114.38 112.75 2jql h ARG 62 Ca -0.39 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.44 2jql h ARG 62 Cb 1.37 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.32 2jql h ARG 62 CO 0.63 0.15 -0.22 0.66 -3.11 0.00 0.00 179.97 178.08 2jql h SER 63 N 0.01 0.00 -3.63 -3.80 4.64 -2.00 -3.46 113.55 105.31 2jql h SER 63 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2jql h SER 63 Cb 0.25 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 62.55 2jql h SER 63 CO 0.02 0.22 -0.34 0.00 -0.87 0.00 0.00 176.83 175.85 2jql h ASP 65 N -1.56 0.00 -3.60 0.00 1.82 0.26 -3.44 116.42 109.90 2jql h ASP 65 Ca -0.44 -1.00 -0.62 0.00 -0.39 0.00 0.00 57.03 54.59 2jql h ASP 65 Cb 1.28 -0.00 -0.39 0.00 0.68 0.00 0.00 39.33 40.90 2jql h ASP 65 CO 0.37 1.00 -0.77 -0.69 -1.61 0.00 0.00 179.24 177.54 2jql s VAL 66 N -2.22 1.63 -0.16 2.25 1.01 0.15 -4.90 120.40 118.15 2jql s VAL 66 Ca -0.19 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.27 2jql s VAL 66 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2jql s VAL 66 CO 0.69 -0.26 -0.03 0.27 0.00 0.00 0.00 175.10 175.77 2jql s ILE 67 N 1.31 3.91 0.00 2.22 -4.36 -1.26 -2.23 121.20 120.80 2jql s ILE 67 Ca -0.01 -0.35 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 2jql s ILE 67 Cb -0.19 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.80 2jql s ILE 67 CO -0.09 0.48 0.00 0.00 0.24 0.00 0.00 174.94 175.57 2jql n LEU 68 N 3.65 0.00 0.00 0.37 -0.00 -1.08 -4.99 117.00 114.96 2jql n LEU 68 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2jql n LEU 68 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2jql n LEU 68 CO 0.33 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.48 2jql n SER 69 N -0.08 0.00 0.00 1.45 2.88 -1.26 -4.84 113.62 111.78 2jql n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jql n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jql n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jql n GLU 70 N 0.00 0.00 0.12 -1.46 1.02 -1.26 -4.99 120.64 114.06 2jql n GLU 70 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2jql n GLU 70 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 31.88 2jql n GLU 70 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2jql n PRO 71 N -0.19 0.13 -0.99 3.49 -0.02 -1.26 -1.82 135.00 134.33 2jql n PRO 71 Ca 0.00 0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 61.93 2jql n PRO 71 Cb 0.00 -1.84 0.28 0.00 -0.02 0.00 0.00 33.50 31.92 2jql n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2jql n ASP 72 N -2.09 4.62 -4.83 2.55 9.92 -1.26 -4.94 116.55 120.51 2jql n ASP 72 Ca 0.00 -3.18 -0.38 0.00 -0.53 0.00 0.00 54.79 50.70 2jql n ASP 72 Cb 0.10 -0.74 -0.06 0.00 -0.64 0.00 0.00 41.12 39.78 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 -2.86 4.99 0.16 0.53 1.10 -0.76 -5.02 121.20 119.34 2jql s ILE 73 Ca 0.52 0.90 -0.34 0.00 -0.51 0.00 0.00 60.65 61.22 2jql s ILE 73 Cb 0.42 -3.74 -0.14 0.00 0.15 0.00 0.00 42.46 39.14 2jql s ILE 73 CO 0.13 0.56 1.47 -1.20 -2.11 0.00 0.00 174.94 173.79 2jql n SER 74 N 1.89 2.63 -0.11 4.50 7.64 -1.26 -4.33 113.62 124.58 2jql n SER 74 Ca -0.13 1.11 -0.12 0.00 1.01 0.00 0.00 58.87 60.74 2jql n SER 74 Cb 0.52 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.32 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 3.39 1.28 -0.59 0.44 2.02 -1.92 -3.05 112.91 114.49 2jql h THR 75 Ca -0.45 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2jql h THR 75 Cb 1.28 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2jql h THR 75 CO 0.83 0.37 0.00 0.49 0.37 0.00 0.00 175.52 177.58 2jql n PHE 76 N -4.44 1.22 0.00 3.16 3.72 -1.26 -4.14 117.46 115.71 2jql n PHE 76 Ca -0.03 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 2jql n PHE 76 Cb 0.34 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.99 0.00 -3.81 1.38 -0.00 -1.15 -4.49 115.22 108.14 2jql n HIS 77 Ca 0.23 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.32 2jql n HIS 77 Cb 0.78 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.60 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 -2.35 -0.56 -0.04 1.57 0.00 -1.16 -3.75 121.76 115.48 2jql s ALA 78 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2jql s ALA 78 Cb 0.00 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2jql s ALA 78 CO 0.00 -0.71 -0.07 -1.21 0.00 0.00 0.00 175.76 173.76 2jql s GLU 79 N -3.90 0.97 -0.16 0.00 2.02 -0.19 -1.51 118.70 115.93 2jql s GLU 79 Ca 0.11 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.88 2jql s GLU 79 Cb 0.01 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.35 2jql s GLU 79 CO -0.03 0.03 -0.20 -0.06 0.02 0.00 0.00 175.26 175.02 2jql s PHE 80 N 0.49 2.73 -0.33 1.61 0.08 0.26 -0.54 117.98 122.30 2jql s PHE 80 Ca -0.08 -1.44 -0.17 0.00 0.12 0.00 0.00 56.93 55.37 2jql s PHE 80 Cb -0.11 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 2jql s PHE 80 CO 0.01 -0.68 0.45 -1.01 -0.10 0.00 0.00 175.22 173.88 2jql s HIS 81 N 1.04 3.21 -0.36 0.36 3.76 -0.68 0.19 115.29 122.80 2jql s HIS 81 Ca -0.01 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 55.01 2jql s HIS 81 Cb -0.14 -2.78 0.04 0.00 1.11 0.00 0.00 32.58 30.81 2jql s HIS 81 CO -0.07 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.39 2jql s LEU 82 N 2.23 4.60 -0.02 0.89 2.96 -0.71 -1.91 118.68 126.73 2jql s LEU 82 Ca 0.16 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 2jql s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jql s LEU 82 CO 0.12 -0.38 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.78 2jql s LEU 83 N 1.48 2.05 -0.19 -0.68 1.02 -1.13 -2.02 118.68 119.21 2jql s LEU 83 Ca 0.01 -0.42 -0.05 0.00 0.02 0.00 0.00 54.13 53.69 2jql s LEU 83 Cb -0.20 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 2jql s LEU 83 CO 0.05 0.28 -0.00 -1.10 0.02 0.00 0.00 176.35 175.59 2jql s GLN 84 N -0.56 3.65 -0.02 1.70 -0.21 -1.26 -2.92 119.66 120.03 2jql s GLN 84 Ca 0.09 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 54.98 2jql s GLN 84 Cb -0.09 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.88 2jql s GLN 84 CO -0.01 0.08 -0.06 -1.64 -2.12 0.00 0.00 175.29 171.54 2jql s MET 85 N 0.81 0.73 -0.12 2.91 -1.94 -1.17 -5.06 119.30 115.46 2jql s MET 85 Ca 0.00 -0.20 -0.03 0.00 -1.71 0.00 0.00 55.69 53.75 2jql s MET 85 Cb -0.14 -0.71 -0.03 0.00 2.01 0.00 0.00 34.83 35.96 2jql s MET 85 CO 0.02 0.06 -0.00 0.16 -0.01 0.00 0.00 175.02 175.25 2jql s ASP 86 N 0.30 5.17 -0.04 3.03 1.47 -1.26 -1.73 116.67 123.62 2jql s ASP 86 Ca -0.04 0.06 -0.02 0.00 1.18 0.00 0.00 52.55 53.74 2jql s ASP 86 Cb -0.08 -1.62 0.03 0.00 -0.34 0.00 0.00 42.92 40.91 2jql s ASP 86 CO 0.00 0.30 0.05 -0.69 0.68 0.00 0.00 175.17 175.51 2jql s VAL 87 N -0.38 -0.10 0.00 2.11 1.01 -1.25 -4.93 120.40 116.86 2jql s VAL 87 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2jql s VAL 87 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2jql s VAL 87 CO 0.02 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.61 2jql n ASP 88 N 5.03 0.00 0.00 3.32 2.03 -1.26 -3.12 116.55 122.55 2jql n ASP 88 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2jql n ASP 88 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jql n ASN 89 N 2.73 0.00 -4.49 1.67 5.15 -1.26 -5.09 115.26 113.96 2jql n ASN 89 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 2jql n ASN 89 Cb 0.00 0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.20 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jql s PHE 90 N -1.08 3.05 0.19 1.20 0.08 -1.18 -5.05 117.98 115.19 2jql s PHE 90 Ca 0.00 -0.25 -0.26 0.00 0.12 0.00 0.00 56.93 56.54 2jql s PHE 90 Cb 0.00 -3.40 -0.08 0.00 -0.57 0.00 0.00 43.02 38.96 2jql s PHE 90 CO 0.00 -0.93 0.82 1.14 -0.10 0.00 0.00 175.22 176.15 2jql s GLN 91 N 2.75 4.64 0.18 0.44 -2.07 -1.26 -3.96 119.66 120.38 2jql s GLN 91 Ca 0.19 1.24 0.09 0.00 -1.82 0.00 0.00 55.36 55.07 2jql s GLN 91 Cb -0.16 -3.25 -0.04 0.00 -1.09 0.00 0.00 33.01 28.47 2jql s GLN 91 CO 0.16 0.55 -0.10 1.03 -1.32 0.00 0.00 175.29 175.61 2jql s ARG 92 N -1.20 2.06 -0.24 9.60 0.52 -0.70 -4.97 118.95 124.02 2jql s ARG 92 Ca 0.38 -1.26 -0.06 0.00 -0.52 0.00 0.00 55.73 54.26 2jql s ARG 92 Cb -0.24 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 2jql s ARG 92 CO 0.28 0.44 0.02 -0.80 0.02 0.00 0.00 175.30 175.26 2jql s ASN 93 N -2.81 4.79 -0.12 0.23 0.02 -1.26 -3.03 114.94 112.75 2jql s ASN 93 Ca 0.25 -0.28 -0.03 0.00 -1.02 0.00 0.00 52.86 51.78 2jql s ASN 93 Cb -0.09 -1.85 -0.03 0.00 0.02 0.00 0.00 41.25 39.30 2jql s ASN 93 CO 0.15 -0.03 -0.02 -0.76 0.02 0.00 0.00 177.10 176.46 2jql s LEU 94 N 1.55 3.39 -0.04 0.60 1.02 -1.15 -4.93 118.68 119.12 2jql s LEU 94 Ca 0.06 -0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.27 2jql s LEU 94 Cb -0.15 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2jql s LEU 94 CO 0.01 0.26 -0.24 -0.63 0.02 0.00 0.00 176.35 175.77 2jql s ILE 95 N -0.19 2.17 0.01 -0.59 1.09 -1.08 -2.85 121.20 119.76 2jql s ILE 95 Ca 0.04 -1.05 0.05 0.00 -1.10 0.00 0.00 60.65 58.60 2jql s ILE 95 Cb -0.13 -1.77 -0.03 0.00 -1.06 0.00 0.00 42.46 39.47 2jql s ILE 95 CO 0.02 0.58 -0.13 0.21 -0.10 0.00 0.00 174.94 175.52 2jql s ASN 96 N -0.43 4.14 -0.14 3.58 2.47 -0.80 0.10 114.94 123.86 2jql s ASN 96 Ca 0.04 -0.29 -0.05 0.00 0.42 0.00 0.00 52.86 52.99 2jql s ASN 96 Cb -0.12 -0.82 -0.04 0.00 -1.45 0.00 0.00 41.25 38.83 2jql s ASN 96 CO 0.01 0.28 0.03 -0.69 -3.72 0.00 0.00 177.10 173.00 2jql s VAL 97 N -0.93 4.49 -0.10 -5.21 1.01 0.11 -1.69 120.40 118.08 2jql s VAL 97 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2jql s VAL 97 Cb -0.11 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2jql s VAL 97 CO 0.05 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 2jql s ILE 98 N -0.15 0.97 -0.16 2.22 1.01 0.30 -2.95 121.20 122.45 2jql s ILE 98 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 2jql s ILE 98 Cb -0.12 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 2jql s ILE 98 CO 0.02 0.36 -0.06 -1.81 0.00 0.00 0.00 174.94 173.45 2jql s ASP 99 N 1.64 4.54 -0.43 3.58 1.01 -1.26 -1.02 116.67 124.73 2jql s ASP 99 Ca 0.03 -0.22 0.08 0.00 0.71 0.00 0.00 52.55 53.15 2jql s ASP 99 Cb -0.13 -1.74 0.35 0.00 1.01 0.00 0.00 42.92 42.41 2jql s ASP 99 CO -0.07 0.13 1.19 2.29 0.21 0.00 0.00 175.17 178.92 2jql n LYS 100 N 3.79 1.09 -4.19 8.23 2.85 -1.25 -5.05 118.16 123.63 2jql n LYS 100 Ca -0.18 -1.98 -0.16 0.00 -1.05 0.00 0.00 58.31 54.94 2jql n LYS 100 Cb 0.52 -0.68 -0.07 0.00 -0.65 0.00 0.00 35.03 34.15 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jql s SER 101 N -1.34 1.17 -0.04 -5.58 0.01 -1.25 -4.69 113.70 101.96 2jql s SER 101 Ca 0.23 -1.59 0.08 0.00 1.31 0.00 0.00 55.95 55.98 2jql s SER 101 Cb 0.34 0.58 -0.12 0.00 0.21 0.00 0.00 66.02 67.03 2jql s SER 101 CO -0.06 -1.13 0.12 0.54 0.41 0.00 0.00 173.24 173.12 2jql n ARG 102 N -0.55 1.31 -0.05 12.44 3.00 -1.26 -4.56 116.66 126.98 2jql n ARG 102 Ca 0.04 -0.05 0.24 0.00 -0.01 0.00 0.00 57.85 58.07 2jql n ARG 102 Cb 0.62 -1.22 0.72 0.00 0.00 0.00 0.00 32.46 32.59 2jql n ARG 102 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jql h ASN 103 N 0.00 0.00 0.00 0.55 4.21 -1.96 -3.47 115.58 114.92 2jql h ASN 103 Ca -0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.41 2jql h ASN 103 Cb 0.90 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 2jql h ASN 103 CO 0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2jql n GLY 104 N -1.63 2.43 2.90 2.83 0.00 -1.26 -4.55 105.19 105.90 2jql n GLY 104 Ca 0.13 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.63 115.64 118.92 2jql s THR 105 Ca 0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2jql s THR 105 Cb 0.00 -0.79 0.04 0.00 0.01 0.00 0.00 72.50 71.76 2jql s THR 105 CO 0.00 0.30 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.73 2jql s PHE 106 N 1.33 2.89 -0.05 4.92 0.08 -0.20 -3.98 117.98 122.96 2jql s PHE 106 Ca -0.03 -1.90 0.05 0.00 0.12 0.00 0.00 56.93 55.17 2jql s PHE 106 Cb -0.14 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2jql s PHE 106 CO -0.03 -0.82 -0.20 -1.50 -0.10 0.00 0.00 175.22 172.57 2jql s ILE 107 N 1.24 2.52 -1.76 0.64 1.10 -0.77 0.17 121.20 124.35 2jql s ILE 107 Ca -0.02 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.21 2jql s ILE 107 Cb -0.16 -1.95 0.00 0.00 0.15 0.00 0.00 42.46 40.49 2jql s ILE 107 CO -0.09 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.91 2jql n ASN 108 N 2.68 -5.45 -0.20 4.50 5.03 -0.13 -1.33 115.26 120.37 2jql n ASN 108 Ca -0.17 0.13 -0.03 0.00 0.87 0.00 0.00 54.58 55.39 2jql n ASN 108 Cb 0.52 -4.53 -0.01 0.00 -1.02 0.00 0.00 39.78 34.73 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 -0.90 0.51 3.12 7.41 0.00 -1.26 -4.99 105.19 109.09 2jql n GLY 109 Ca -0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2jql n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jql s ASN 110 N -2.26 1.22 0.13 1.61 0.01 -0.44 -5.13 114.94 110.08 2jql s ASN 110 Ca 0.00 -0.67 -0.30 0.00 -0.71 0.00 0.00 52.86 51.18 2jql s ASN 110 Cb 0.00 0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.60 2jql s ASN 110 CO 0.00 -0.21 1.16 -0.60 -1.51 0.00 0.00 177.10 175.94 2jql s ARG 111 N -2.09 4.51 -0.07 -0.60 3.00 -1.26 -1.84 118.95 120.60 2jql s ARG 111 Ca -0.03 1.77 -0.30 0.00 -1.00 0.00 0.00 55.73 56.17 2jql s ARG 111 Cb -0.07 -3.30 -0.03 0.00 0.00 0.00 0.00 34.95 31.55 2jql s ARG 111 CO 0.00 -0.09 1.22 -1.17 0.00 0.00 0.00 175.30 175.27 2jql s LEU 112 N 0.23 4.26 0.00 -0.88 0.20 -1.26 -4.87 118.68 116.37 2jql s LEU 112 Ca 0.54 1.81 0.00 0.00 0.69 0.00 0.00 54.13 57.17 2jql s LEU 112 Cb -0.30 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 41.91 2jql s LEU 112 CO 0.33 -0.62 0.00 0.55 -0.29 0.00 0.00 176.35 176.32 2jql n VAL 113 N 4.75 0.00 -3.43 1.68 3.14 -1.26 -5.06 118.33 118.15 2jql n VAL 113 Ca 0.12 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.17 2jql n VAL 113 Cb 0.46 -0.93 -0.05 0.00 -1.06 0.00 0.00 33.84 32.26 2jql n VAL 113 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2jql s LYS 114 N -1.97 3.82 0.60 1.45 0.00 -1.26 -5.09 119.74 117.29 2jql s LYS 114 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 55.97 56.20 2jql s LYS 114 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 37.83 35.12 2jql s LYS 114 CO 0.00 0.37 0.89 0.21 0.00 0.00 0.00 175.35 176.82 2jql s LYS 115 N -2.60 2.72 -0.72 1.78 2.20 -1.26 -4.58 119.74 117.29 2jql s LYS 115 Ca 0.44 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 2jql s LYS 115 Cb -0.12 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 2jql s LYS 115 CO 0.21 -0.79 0.63 -3.47 -0.36 0.00 0.00 175.35 171.57 2jql n ASP 116 N -2.59 -4.93 -4.77 1.43 2.03 -1.26 -5.00 116.55 101.46 2jql n ASP 116 Ca 0.05 -0.48 -0.40 0.00 0.52 0.00 0.00 54.79 54.49 2jql n ASP 116 Cb 0.58 -3.70 -0.06 0.00 -0.72 0.00 0.00 41.12 37.23 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jql s TYR 117 N -3.26 3.88 -0.35 -0.67 5.04 -1.15 -4.91 117.35 115.93 2jql s TYR 117 Ca 0.29 1.62 -0.14 0.00 -2.44 0.00 0.00 57.07 56.40 2jql s TYR 117 Cb -0.04 -2.79 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 2jql s TYR 117 CO 0.50 0.47 0.31 -1.50 -1.34 0.00 0.00 175.55 173.99 2jql s ILE 118 N -0.96 5.22 -0.13 3.14 1.10 -1.26 0.07 121.20 128.38 2jql s ILE 118 Ca 0.36 -0.15 -0.06 0.00 -0.51 0.00 0.00 60.65 60.30 2jql s ILE 118 Cb -0.23 -3.80 -0.04 0.00 0.15 0.00 0.00 42.46 38.55 2jql s ILE 118 CO 0.26 -0.09 0.08 -0.22 -2.11 0.00 0.00 174.94 172.85 2jql s LEU 119 N 1.87 3.97 0.39 8.50 0.20 0.29 -4.94 118.68 128.96 2jql s LEU 119 Ca 0.09 0.25 0.04 0.00 0.69 0.00 0.00 54.13 55.20 2jql s LEU 119 Cb -0.17 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2jql s LEU 119 CO 0.11 0.32 0.16 -0.54 -0.29 0.00 0.00 176.35 176.11 2jql s LYS 120 N -0.50 1.88 0.56 1.98 3.01 -1.26 -2.63 119.74 122.78 2jql s LYS 120 Ca 0.11 -2.14 -0.20 0.00 -1.01 0.00 0.00 55.97 52.73 2jql s LYS 120 Cb -0.12 -0.41 -0.06 0.00 -1.01 0.00 0.00 37.83 36.23 2jql s LYS 120 CO 0.02 -0.51 0.97 0.27 0.51 0.00 0.00 175.35 176.61 2jql n ASN 121 N -1.34 0.89 -2.67 2.83 6.94 -1.26 -2.86 115.26 117.79 2jql n ASN 121 Ca -0.03 0.86 -0.17 0.00 -0.02 0.00 0.00 54.58 55.22 2jql n ASN 121 Cb 0.64 -1.38 0.05 0.00 -2.36 0.00 0.00 39.78 36.74 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 1.26 -0.15 3.47 4.83 0.00 0.56 -4.99 105.19 110.17 2jql n GLY 122 Ca 0.12 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.16 4.90 -0.30 1.61 1.11 -1.14 -4.92 116.67 114.77 2jql s ASP 123 Ca 0.39 -0.17 -0.22 0.00 0.18 0.00 0.00 52.55 52.74 2jql s ASP 123 Cb -0.17 -1.83 -0.01 0.00 1.07 0.00 0.00 42.92 41.98 2jql s ASP 123 CO 0.49 0.08 0.70 -0.13 1.18 0.00 0.00 175.17 177.49 2jql s ARG 124 N 0.89 3.94 -0.09 8.23 0.52 -1.26 -1.08 118.95 130.10 2jql s ARG 124 Ca 0.01 0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.68 2jql s ARG 124 Cb -0.14 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 2jql s ARG 124 CO 0.02 -0.61 -0.15 0.42 0.02 0.00 0.00 175.30 175.00 2jql s ILE 125 N 2.75 2.93 -0.06 1.52 1.01 0.14 -0.96 121.20 128.54 2jql s ILE 125 Ca 0.28 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2jql s ILE 125 Cb -0.15 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 2jql s ILE 125 CO 0.12 0.56 -0.19 -0.69 0.00 0.00 0.00 174.94 174.74 2jql s VAL 126 N -0.18 1.64 -0.05 2.92 1.01 0.13 -2.00 120.40 123.87 2jql s VAL 126 Ca -0.01 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2jql s VAL 126 Cb -0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2jql s VAL 126 CO 0.03 0.47 -0.21 -0.36 0.00 0.00 0.00 175.10 175.02 2jql s PHE 127 N 0.19 2.09 0.00 5.22 0.08 -0.76 -1.04 117.98 123.76 2jql s PHE 127 Ca -0.09 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.36 2jql s PHE 127 Cb -0.14 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 2jql s PHE 127 CO 0.04 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.39 2jql n GLY 128 N 3.01 2.11 0.00 4.36 0.00 0.20 -2.91 105.19 111.95 2jql n GLY 128 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.07 1.61 2.85 -1.26 -4.54 118.16 116.75 2jql n LYS 129 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2jql n LYS 129 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 1.80 -4.56 -5.58 3.41 -1.26 -4.94 113.62 102.50 2jql n SER 130 Ca 0.00 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 2jql n SER 130 Cb 0.00 0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 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 9.03 3.16 0.04 0.00 0.01 -1.26 -1.82 113.70 122.87 2jql s SER 132 Ca 1.03 -0.75 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 2jql s SER 132 Cb -0.42 -1.22 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2jql s SER 132 CO 0.36 -0.11 0.04 0.72 0.41 0.00 0.00 173.24 174.66 2jql s PHE 133 N 1.42 0.32 -0.04 2.43 -0.71 -0.85 0.24 117.98 120.79 2jql s PHE 133 Ca 0.01 -0.72 0.05 0.00 -1.04 0.00 0.00 56.93 55.23 2jql s PHE 133 Cb -0.15 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2jql s PHE 133 CO -0.09 -0.36 -0.20 -1.17 -1.34 0.00 0.00 175.22 172.06 2jql s LEU 134 N -2.39 2.41 -0.08 -1.99 0.20 -0.77 -0.68 118.68 115.37 2jql s LEU 134 Ca -0.01 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.42 2jql s LEU 134 Cb 0.01 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.28 2jql s LEU 134 CO -0.07 0.32 0.12 0.12 -0.29 0.00 0.00 176.35 176.56 2jql s PHE 135 N -0.60 3.50 -0.09 5.38 5.36 -0.24 -2.56 117.98 128.73 2jql s PHE 135 Ca 0.09 0.42 -0.21 0.00 -0.96 0.00 0.00 56.93 56.27 2jql s PHE 135 Cb -0.11 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.74 2jql s PHE 135 CO 0.00 0.67 0.49 0.15 -1.46 0.00 0.00 175.22 175.07 2jql s LYS 136 N -1.23 0.76 0.25 10.12 1.02 -1.16 -0.32 119.74 129.18 2jql s LYS 136 Ca 0.18 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.14 2jql s LYS 136 Cb -0.12 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.45 2jql s LYS 136 CO 0.07 -0.19 1.04 0.71 -0.92 0.00 0.00 175.35 176.07 2jql s TYR 137 N -0.72 3.73 0.15 3.18 2.02 -1.26 -1.30 117.35 123.16 2jql s TYR 137 Ca -0.08 1.77 0.01 0.00 -0.37 0.00 0.00 57.07 58.40 2jql s TYR 137 Cb -0.03 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.32 2jql s TYR 137 CO 0.05 -0.17 0.02 0.00 -1.57 0.00 0.00 175.55 173.87 2jql s ALA 138 N -1.08 1.12 0.00 3.71 0.00 0.10 -4.87 121.76 120.73 2jql s ALA 138 Ca 0.44 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jql s ALA 138 Cb -0.29 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2jql s ALA 138 CO 0.37 -0.38 0.00 0.45 0.00 0.00 0.00 175.76 176.20 2jql n SER 139 N -0.16 1.29 -3.19 0.00 2.88 -1.26 -3.66 113.62 109.51 2jql n SER 139 Ca -0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.38 2jql n SER 139 Cb 0.63 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.11 2jql n SER 139 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jql n SER 140 N -2.55 1.31 -2.15 -3.46 2.88 -1.26 -4.80 113.62 103.59 2jql n SER 140 Ca 0.00 -1.71 -0.18 0.00 -1.33 0.00 0.00 58.87 55.65 2jql n SER 140 Cb 0.35 -0.09 0.22 0.00 -0.75 0.00 0.00 64.21 63.93 2jql n SER 140 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jql n SER 141 N -2.32 4.10 -2.66 -3.46 7.64 -1.26 -4.88 113.62 110.79 2jql n SER 141 Ca 0.03 -3.46 -0.20 0.00 1.01 0.00 0.00 58.87 56.26 2jql n SER 141 Cb 0.25 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2jql n SER 141 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 142 N -0.79 -5.40 -3.65 6.43 7.64 -1.26 -4.95 113.62 111.64 2jql n SER 142 Ca 0.53 -0.08 -0.01 0.00 1.01 0.00 0.00 58.87 60.32 2jql n SER 142 Cb 1.57 -4.47 -0.04 0.00 -1.01 0.00 0.00 64.21 60.26 2jql n SER 142 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jql s THR 143 N -2.99 -0.99 0.07 0.44 -1.32 -1.26 -5.07 115.64 104.52 2jql s THR 143 Ca 0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 2jql s THR 143 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2jql s THR 143 CO 0.14 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.88 2jql n ASP 144 N 5.44 0.48 0.00 8.08 -0.08 -1.26 -5.09 116.55 124.12 2jql n ASP 144 Ca -0.12 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 2jql n ASP 144 Cb 0.49 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.84 2jql n ASP 144 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2jql n ILE 145 N -3.05 0.00 -2.22 5.18 -0.00 -1.26 -5.07 119.36 112.95 2jql n ILE 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2jql n ILE 145 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2jql n ILE 145 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2jql n GLU 146 N 0.00 -5.22 -2.86 0.38 0.00 -1.26 -5.05 120.64 106.63 2jql n GLU 146 Ca 0.00 3.76 -0.18 0.00 0.00 0.00 0.00 57.16 60.75 2jql n GLU 146 Cb 0.00 -4.46 0.05 0.00 0.00 0.00 0.00 31.44 27.02 2jql n GLU 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jql n ASN 147 N 1.81 1.96 -4.56 4.31 4.13 -1.26 -5.02 115.26 116.63 2jql n ASN 147 Ca 0.00 -2.38 -0.40 0.00 1.68 0.00 0.00 54.58 53.48 2jql n ASN 147 Cb 0.00 -0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 37.91 2jql n ASN 147 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jql s ASP 148 N -4.02 6.39 0.28 6.41 -1.08 -1.26 -4.95 116.67 118.44 2jql s ASP 148 Ca 0.47 -1.33 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 2jql s ASP 148 Cb -0.04 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.88 2jql s ASP 148 CO 0.30 -1.61 0.17 0.47 0.52 0.00 0.00 175.17 175.02 2jql n ASP 149 N 9.25 2.06 -4.47 -0.34 9.92 -1.26 -5.05 116.55 126.66 2jql n ASP 149 Ca 0.31 -2.02 -0.44 0.00 -0.53 0.00 0.00 54.79 52.12 2jql n ASP 149 Cb 0.51 0.02 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 2jql n ASP 149 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jql s GLU 150 N -3.14 3.89 -0.78 -1.24 2.56 -1.26 -4.95 118.70 113.79 2jql s GLU 150 Ca 0.13 -2.19 -0.17 0.00 0.00 0.00 0.00 54.97 52.74 2jql s GLU 150 Cb -0.01 -5.06 0.16 0.00 2.00 0.00 0.00 34.13 31.22 2jql s GLU 150 CO 0.08 -1.82 0.83 0.15 -0.56 0.00 0.00 175.26 173.94 2jql s LYS 151 N 2.30 3.41 -0.06 4.30 1.02 -1.26 -5.00 119.74 124.46 2jql s LYS 151 Ca 0.40 -1.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.47 2jql s LYS 151 Cb -0.03 -4.51 0.03 0.00 -0.52 0.00 0.00 37.83 32.80 2jql s LYS 151 CO -0.03 -1.50 0.01 0.08 -0.92 0.00 0.00 175.35 172.99 2jql s VAL 152 N 1.63 0.29 -0.56 3.17 1.01 -1.26 -5.11 120.40 119.58 2jql s VAL 152 Ca 0.19 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 2jql s VAL 152 Cb -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.83 2jql s VAL 152 CO -0.04 0.23 1.09 -0.44 0.00 0.00 0.00 175.10 175.94 2jql s SER 153 N 1.80 6.43 -0.25 3.32 0.01 -1.26 -5.00 113.70 118.75 2jql s SER 153 Ca 0.02 -0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.00 2jql s SER 153 Cb -0.13 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jql s SER 153 CO -0.04 -1.36 0.91 -0.44 0.41 0.00 0.00 173.24 172.72 2jql s SER 154 N 2.85 6.91 0.10 2.44 0.01 -1.26 -5.04 113.70 119.72 2jql s SER 154 Ca 0.39 1.11 0.06 0.00 1.31 0.00 0.00 55.95 58.82 2jql s SER 154 Cb -0.09 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2jql s SER 154 CO 0.24 -0.61 -0.14 -1.61 0.41 0.00 0.00 173.24 171.53 2jql s GLU 155 N 3.04 0.95 0.84 12.44 2.02 -1.26 -5.15 118.70 131.58 2jql s GLU 155 Ca 0.38 -1.13 -0.11 0.00 0.02 0.00 0.00 54.97 54.13 2jql s GLU 155 Cb -0.15 -0.88 0.10 0.00 0.10 0.00 0.00 34.13 33.30 2jql s GLU 155 CO 0.08 0.18 1.09 -1.54 0.02 0.00 0.00 175.26 175.09 2jql s SER 156 N -2.18 3.95 -0.02 -0.19 1.04 -1.26 -5.00 113.70 110.04 2jql s SER 156 Ca 0.05 1.53 0.06 0.00 0.48 0.00 0.00 55.95 58.07 2jql s SER 156 Cb -0.07 -2.23 0.11 0.00 0.10 0.00 0.00 66.02 63.93 2jql s SER 156 CO 0.03 -2.34 1.06 0.54 0.98 0.00 0.00 173.24 173.50 2jql n ARG 157 N -3.70 0.09 -1.75 4.02 5.12 -1.26 -5.03 116.66 114.15 2jql n ARG 157 Ca 0.07 -1.24 -0.38 0.00 -1.93 0.00 0.00 57.85 54.37 2jql n ARG 157 Cb 0.55 0.37 -0.04 0.00 -1.16 0.00 0.00 32.46 32.18 2jql n ARG 157 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2jql n SER 158 N 0.02 3.27 0.00 0.55 3.41 -1.26 -5.39 113.62 114.22 2jql n SER 158 Ca -0.20 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 2jql n SER 158 Cb 0.80 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2jql n SER 158 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66