#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 0.00 -0.20 1.97 9.65 -2.08 -3.42 114.38 120.30 2jql h ARG 20 Ca 0.00 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.67 2jql h ARG 20 Cb 0.00 0.00 -0.35 0.00 -1.39 0.00 0.00 29.97 28.23 2jql h ARG 20 CO 0.00 0.59 -0.99 0.94 2.80 0.00 0.00 179.97 183.31 2jql n GLN 21 N -4.58 1.01 -3.81 0.20 7.27 -1.26 -5.03 117.38 111.18 2jql n GLN 21 Ca -0.16 -2.80 -0.27 0.00 0.07 0.00 0.00 57.00 53.84 2jql n GLN 21 Cb 0.42 -0.88 -0.17 0.00 2.41 0.00 0.00 30.24 32.03 2jql n GLN 21 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jql s GLN 22 N -1.88 0.97 0.25 3.69 0.74 -1.26 -4.94 119.66 117.23 2jql s GLN 22 Ca 0.33 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.38 2jql s GLN 22 Cb 0.37 -1.85 0.00 0.00 1.10 0.00 0.00 33.01 32.62 2jql s GLN 22 CO -0.10 -0.49 0.00 -2.13 -0.55 0.00 0.00 175.29 172.02 2jql n ARG 23 N 4.99 0.00 -2.30 1.67 0.00 -1.26 -2.56 116.66 117.20 2jql n ARG 23 Ca -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.50 2jql n ARG 23 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.05 2jql n ARG 23 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jql s SER 24 N -2.47 4.18 0.25 6.15 0.01 -1.26 -5.12 113.70 115.45 2jql s SER 24 Ca 0.00 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2jql s SER 24 Cb 0.00 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 2jql s SER 24 CO 0.00 -1.99 0.08 0.20 0.41 0.00 0.00 173.24 171.94 2jql s ASN 25 N -4.70 1.32 0.35 2.44 0.01 -1.26 -5.07 114.94 108.02 2jql s ASN 25 Ca 0.66 -1.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 2jql s ASN 25 Cb -0.07 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.72 2jql s ASN 25 CO 0.46 -0.69 0.00 0.29 -1.51 0.00 0.00 177.10 175.65 2jql n LYS 26 N -0.46 0.00 -1.72 -0.60 5.02 -1.26 -5.13 118.16 114.01 2jql n LYS 26 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 2jql n LYS 26 Cb 0.66 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.69 2jql n LYS 26 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2jql n PRO 27 N -3.23 1.92 -2.68 1.97 -0.02 -1.26 -4.21 135.00 127.50 2jql n PRO 27 Ca 0.00 0.69 -0.01 0.00 -2.02 0.00 0.00 63.50 62.15 2jql n PRO 27 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2jql n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jql n SER 28 N -0.11 -7.73 0.00 2.55 7.64 -1.26 -5.00 113.62 109.71 2jql n SER 28 Ca 0.07 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2jql n SER 28 Cb 0.41 -5.14 0.00 0.00 -1.01 0.00 0.00 64.21 58.47 2jql n SER 28 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 29 N 0.50 0.00 -3.22 6.43 7.64 -1.26 -5.12 113.62 118.59 2jql n SER 29 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2jql n SER 29 Cb 0.07 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2jql n SER 29 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jql s GLU 30 N -0.40 0.51 0.00 1.43 0.41 -1.26 -5.13 118.70 114.26 2jql s GLU 30 Ca 0.00 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.45 2jql s GLU 30 Cb 0.00 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.64 2jql s GLU 30 CO 0.00 -0.61 0.00 0.66 -0.49 0.00 0.00 175.26 174.82 2jql n TYR 31 N 5.41 0.00 -3.85 1.61 4.01 -1.26 -5.08 117.16 118.00 2jql n TYR 31 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 2jql n TYR 31 Cb 0.51 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.47 -0.01 0.51 -0.72 2.01 -1.26 -5.03 115.64 111.61 2jql s THR 32 Ca 0.00 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 2jql s THR 32 Cb 0.00 -0.04 -0.06 0.00 0.01 0.00 0.00 72.50 72.41 2jql s THR 32 CO 0.00 0.01 1.39 0.00 -0.69 0.00 0.00 174.62 175.33 2jql n LEU 34 N -0.73 0.00 -3.64 0.00 7.94 -1.20 -4.86 117.00 114.51 2jql n LEU 34 Ca 0.09 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.90 2jql n LEU 34 Cb 0.43 0.15 -0.07 0.00 0.53 0.00 0.00 43.42 44.46 2jql n LEU 34 CO 0.55 -0.34 0.54 -0.83 -1.11 0.00 0.00 177.39 176.20 2jql s GLY 35 N -3.21 -0.35 0.25 -3.96 0.00 -1.18 -1.30 107.32 97.56 2jql s GLY 35 Ca 0.00 2.55 0.08 0.00 0.00 0.00 0.00 44.72 47.35 2jql s GLY 35 CO 0.00 2.14 0.11 0.30 0.00 0.00 0.00 173.10 175.64 2jql s HIS 36 N 0.89 2.94 -0.10 1.90 3.76 0.06 -2.31 115.29 122.44 2jql s HIS 36 Ca -0.04 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2jql s HIS 36 Cb -0.05 -1.33 0.02 0.00 1.11 0.00 0.00 32.58 32.33 2jql s HIS 36 CO -0.10 0.56 -0.12 -0.48 -0.85 0.00 0.00 174.74 173.75 2jql s LEU 37 N -3.69 1.55 -0.21 0.89 0.05 -0.84 -1.37 118.68 115.06 2jql s LEU 37 Ca 0.32 -0.35 -0.09 0.00 0.05 0.00 0.00 54.13 54.05 2jql s LEU 37 Cb -0.07 -0.94 -0.05 0.00 -2.05 0.00 0.00 46.19 43.08 2jql s LEU 37 CO 0.23 -0.02 0.11 -0.69 -0.55 0.00 0.00 176.35 175.43 2jql s VAL 38 N 1.11 5.12 0.00 1.48 1.01 -0.26 -1.57 120.40 127.30 2jql s VAL 38 Ca -0.05 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 2jql s VAL 38 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2jql s VAL 38 CO -0.02 0.41 0.64 0.20 0.00 0.00 0.00 175.10 176.33 2jql s ASN 39 N 0.64 7.02 -0.51 3.32 0.01 0.21 -0.20 114.94 125.43 2jql s ASN 39 Ca 0.06 1.22 -0.22 0.00 -0.71 0.00 0.00 52.86 53.21 2jql s ASN 39 Cb -0.12 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.19 2jql s ASN 39 CO 0.01 0.07 0.77 -0.76 -1.51 0.00 0.00 177.10 175.68 2jql s LEU 40 N -0.10 4.50 -0.00 0.60 2.01 0.27 -2.50 118.68 123.47 2jql s LEU 40 Ca 0.33 -0.55 0.06 0.00 0.01 0.00 0.00 54.13 53.98 2jql s LEU 40 Cb -0.19 -2.68 -0.02 0.00 0.01 0.00 0.00 46.19 43.32 2jql s LEU 40 CO 0.18 -1.02 -0.20 -0.63 1.01 0.00 0.00 176.35 175.69 2jql s ILE 41 N 3.25 1.60 0.12 -0.59 1.09 -1.26 -4.46 121.20 120.94 2jql s ILE 41 Ca 0.23 -0.94 -0.11 0.00 -1.10 0.00 0.00 60.65 58.74 2jql s ILE 41 Cb -0.15 -1.35 -0.14 0.00 -1.06 0.00 0.00 42.46 39.76 2jql s ILE 41 CO 0.17 0.39 1.33 1.55 -0.10 0.00 0.00 174.94 178.28 2jql h PRO 42 N 5.46 0.76 -0.09 2.79 0.13 -2.00 -3.23 132.00 135.82 2jql h PRO 42 Ca -0.40 -0.60 -0.13 0.00 -0.87 0.00 0.00 66.00 64.00 2jql h PRO 42 Cb 1.15 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2jql h PRO 42 CO 0.47 1.22 -0.51 0.78 -0.23 0.00 0.00 178.00 179.72 2jql h GLY 43 N 0.66 0.26 0.00 1.56 0.00 -2.03 -3.45 103.07 100.07 2jql h GLY 43 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2jql h GLY 43 CO 0.15 0.26 0.00 0.58 0.00 0.00 0.00 176.54 177.53 2jql n LYS 44 N -3.94 0.00 -0.54 4.80 2.85 -1.22 -5.17 118.16 114.93 2jql n LYS 44 Ca -0.02 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.94 2jql n LYS 44 Cb 0.55 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.16 2jql n LYS 44 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2jql n GLU 45 N 0.00 -2.26 -3.71 -1.58 4.71 -1.23 -4.51 120.64 112.05 2jql n GLU 45 Ca 0.00 -0.64 -0.11 0.00 -0.01 0.00 0.00 57.16 56.40 2jql n GLU 45 Cb 0.00 -1.96 -0.11 0.00 -1.01 0.00 0.00 31.44 28.36 2jql n GLU 45 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2jql s GLN 46 N -3.99 0.37 -0.13 3.49 -1.52 -1.04 -4.92 119.66 111.91 2jql s GLN 46 Ca 0.64 0.67 -0.01 0.00 -1.95 0.00 0.00 55.36 54.71 2jql s GLN 46 Cb -0.20 0.01 -0.02 0.00 -0.22 0.00 0.00 33.01 32.59 2jql s GLN 46 CO 0.66 -0.13 -0.11 -1.59 -0.25 0.00 0.00 175.29 173.87 2jql s LYS 47 N 1.08 3.41 0.14 2.91 0.00 -1.26 0.65 119.74 126.67 2jql s LYS 47 Ca -0.07 -0.65 0.10 0.00 0.00 0.00 0.00 55.97 55.35 2jql s LYS 47 Cb -0.07 -2.68 -0.04 0.00 0.00 0.00 0.00 37.83 35.03 2jql s LYS 47 CO -0.09 0.24 -0.23 0.08 0.00 0.00 0.00 175.35 175.36 2jql s VAL 48 N 0.30 2.51 -0.19 1.79 1.01 -0.61 -5.01 120.40 120.20 2jql s VAL 48 Ca -0.09 -1.73 -0.07 0.00 0.00 0.00 0.00 61.98 60.09 2jql s VAL 48 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2jql s VAL 48 CO 0.05 0.04 0.05 -1.61 0.00 0.00 0.00 175.10 173.63 2jql s GLU 49 N -2.25 3.87 -0.18 2.72 2.02 -1.26 -1.98 118.70 121.65 2jql s GLU 49 Ca 0.17 -0.39 -0.03 0.00 0.02 0.00 0.00 54.97 54.74 2jql s GLU 49 Cb -0.10 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 2jql s GLU 49 CO 0.08 0.17 -0.06 0.42 0.02 0.00 0.00 175.26 175.89 2jql s ILE 50 N 0.65 3.50 0.45 -1.63 -1.09 -0.98 -4.98 121.20 117.12 2jql s ILE 50 Ca 0.03 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 2jql s ILE 50 Cb -0.13 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.21 2jql s ILE 50 CO 0.02 0.47 0.63 0.42 -1.23 0.00 0.00 174.94 175.24 2jql s THR 51 N 0.82 3.29 -1.56 2.92 -4.23 -1.26 -3.13 115.64 112.49 2jql s THR 51 Ca -0.02 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.57 2jql s THR 51 Cb -0.15 -3.16 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 2jql s THR 51 CO 0.01 -0.09 2.98 -0.46 -0.54 0.00 0.00 174.62 176.53 2jql n ASN 52 N -1.99 8.63 -0.05 3.99 0.23 -1.14 -4.53 115.26 120.41 2jql n ASN 52 Ca 0.05 -2.58 0.16 0.00 -0.53 0.00 0.00 54.58 51.68 2jql n ASN 52 Cb 0.59 -1.55 0.90 0.00 -2.08 0.00 0.00 39.78 37.63 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 3.49 1.06 0.00 -3.83 0.63 -1.26 -4.88 116.66 111.88 2jql n ARG 53 Ca 0.77 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2jql n ARG 53 Cb 0.26 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.68 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 -0.88 0.00 -3.88 6.15 4.05 -0.85 -4.79 115.26 115.06 2jql n ASN 54 Ca 0.23 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 55.10 2jql n ASN 54 Cb 0.13 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 40.99 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2jql s VAL 55 N 0.00 0.24 -0.08 3.44 1.01 -1.26 -2.26 120.40 121.49 2jql s VAL 55 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2jql s VAL 55 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2jql s VAL 55 CO 0.00 0.11 -0.17 -0.89 0.00 0.00 0.00 175.10 174.15 2jql s THR 56 N 0.43 1.50 -0.26 3.92 2.01 0.52 -4.89 115.64 118.88 2jql s THR 56 Ca -0.04 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2jql s THR 56 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2jql s THR 56 CO -0.01 0.44 0.12 0.42 -0.69 0.00 0.00 174.62 174.89 2jql s THR 57 N 0.50 4.70 -0.17 -0.82 -4.23 -1.26 0.32 115.64 114.68 2jql s THR 57 Ca -0.15 -0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.27 2jql s THR 57 Cb -0.16 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 2jql s THR 57 CO 0.06 0.31 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.81 2jql s ILE 58 N 1.64 4.07 -1.05 2.99 1.09 -0.42 0.82 121.20 130.34 2jql s ILE 58 Ca 0.07 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 2jql s ILE 58 Cb -0.15 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 2jql s ILE 58 CO 0.06 0.47 0.00 0.61 -0.10 0.00 0.00 174.94 175.98 2jql n GLY 59 N 3.73 -0.69 0.00 6.18 0.00 -0.73 -3.03 105.19 110.66 2jql n GLY 59 Ca -0.17 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.54 2jql n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jql n ARG 60 N 0.00 1.13 -0.76 1.61 5.12 -1.23 -1.37 116.66 121.16 2jql n ARG 60 Ca 0.00 -0.06 -0.32 0.00 -1.93 0.00 0.00 57.85 55.54 2jql n ARG 60 Cb 0.00 -1.13 0.14 0.00 -1.16 0.00 0.00 32.46 30.30 2jql n ARG 60 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jql n SER 61 N -1.67 -1.28 0.13 0.55 2.88 -1.26 -4.94 113.62 108.03 2jql n SER 61 Ca -0.01 0.36 -0.22 0.00 -1.33 0.00 0.00 58.87 57.67 2jql n SER 61 Cb 0.20 -1.30 -0.15 0.00 -0.75 0.00 0.00 64.21 62.21 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 -1.67 0.44 0.00 -1.46 2.43 -1.97 -3.26 114.38 108.88 2jql h ARG 62 Ca -0.43 -0.76 -0.02 0.00 -0.81 0.00 0.00 59.98 57.96 2jql h ARG 62 Cb 1.28 0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 31.11 2jql h ARG 62 CO 0.36 1.36 -0.08 0.77 -1.51 0.00 0.00 179.97 180.88 2jql h SER 63 N 0.12 0.00 -3.07 -3.80 0.02 -1.98 -3.45 113.55 101.39 2jql h SER 63 Ca -0.23 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.14 2jql h SER 63 Cb 2.11 0.00 0.12 0.00 0.14 0.00 0.00 62.40 64.76 2jql h SER 63 CO 0.25 0.08 0.32 0.00 -1.14 0.00 0.00 176.83 176.33 2jql h ASP 65 N 2.09 0.23 -3.66 0.00 1.82 0.10 -3.43 116.42 113.57 2jql h ASP 65 Ca -0.44 -0.21 -0.68 0.00 -0.39 0.00 0.00 57.03 55.31 2jql h ASP 65 Cb 1.31 -0.06 -0.30 0.00 0.68 0.00 0.00 39.33 40.97 2jql h ASP 65 CO 0.60 0.38 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.08 2jql s VAL 66 N -5.36 2.42 -0.23 2.25 1.01 0.18 -4.89 120.40 115.79 2jql s VAL 66 Ca -0.14 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 2jql s VAL 66 Cb 0.06 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2jql s VAL 66 CO 0.70 0.56 0.05 0.27 0.00 0.00 0.00 175.10 176.68 2jql s ILE 67 N 0.03 4.26 0.89 2.22 -4.36 -1.26 -1.77 121.20 121.21 2jql s ILE 67 Ca -0.08 -0.20 -0.15 0.00 -0.26 0.00 0.00 60.65 59.97 2jql s ILE 67 Cb -0.15 -2.97 0.22 0.00 1.25 0.00 0.00 42.46 40.81 2jql s ILE 67 CO 0.05 0.38 0.80 0.18 0.24 0.00 0.00 174.94 176.59 2jql n LEU 68 N 4.57 0.00 -1.52 0.37 4.32 -0.47 -4.95 117.00 119.32 2jql n LEU 68 Ca -0.16 -0.85 -0.13 0.00 -0.02 0.00 0.00 56.01 54.84 2jql n LEU 68 Cb 0.52 -0.73 0.13 0.00 -1.62 0.00 0.00 43.42 41.71 2jql n LEU 68 CO 0.32 -1.83 0.57 -1.20 -1.22 0.00 0.00 177.39 174.02 2jql n SER 69 N -4.34 3.82 -4.19 -1.43 7.64 -1.26 -4.97 113.62 108.88 2jql n SER 69 Ca 0.11 -3.80 -0.31 0.00 1.01 0.00 0.00 58.87 55.88 2jql n SER 69 Cb 0.43 -0.56 -0.17 0.00 -1.01 0.00 0.00 64.21 62.89 2jql n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jql s GLU 70 N -3.44 2.87 0.23 1.43 2.12 -1.26 -5.01 118.70 115.65 2jql s GLU 70 Ca 0.48 -0.82 0.21 0.00 0.36 0.00 0.00 54.97 55.21 2jql s GLU 70 Cb 0.42 -2.20 0.94 0.00 0.26 0.00 0.00 34.13 33.55 2jql s GLU 70 CO 0.00 0.15 1.64 -0.35 -0.54 0.00 0.00 175.26 176.15 2jql n PRO 71 N 3.60 0.15 -2.48 4.30 -0.04 -1.26 -2.85 135.00 136.42 2jql n PRO 71 Ca -0.20 0.46 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2jql n PRO 71 Cb 0.53 -1.84 0.03 0.00 -0.04 0.00 0.00 33.50 32.18 2jql n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jql n ASP 72 N -2.13 3.09 -4.83 3.54 8.00 -1.26 -5.08 116.55 117.87 2jql n ASP 72 Ca 0.01 -2.86 -0.34 0.00 0.71 0.00 0.00 54.79 52.31 2jql n ASP 72 Cb 0.17 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jql s ILE 73 N -4.18 4.60 0.22 0.53 1.10 -1.13 -5.01 121.20 117.33 2jql s ILE 73 Ca 0.38 1.14 -0.32 0.00 -0.51 0.00 0.00 60.65 61.34 2jql s ILE 73 Cb 0.37 -3.70 -0.12 0.00 0.15 0.00 0.00 42.46 39.15 2jql s ILE 73 CO -0.01 -0.06 1.66 -0.24 -2.11 0.00 0.00 174.94 174.18 2jql n SER 74 N -0.01 3.74 -0.14 4.50 2.88 -1.26 -4.36 113.62 118.97 2jql n SER 74 Ca 0.02 1.08 -0.10 0.00 -1.33 0.00 0.00 58.87 58.55 2jql n SER 74 Cb 0.52 -1.54 -0.01 0.00 -0.75 0.00 0.00 64.21 62.43 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2jql h THR 75 N 3.65 1.24 -0.67 2.46 2.02 -1.93 -2.82 112.91 116.86 2jql h THR 75 Ca -0.44 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2jql h THR 75 Cb 1.22 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2jql h THR 75 CO 0.91 0.29 0.00 0.49 0.37 0.00 0.00 175.52 177.58 2jql n PHE 76 N -4.52 1.37 0.00 3.16 3.72 -1.26 -4.20 117.46 115.73 2jql n PHE 76 Ca -0.00 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 2jql n PHE 76 Cb 0.22 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 1.23 0.00 -3.60 1.38 -0.00 -1.06 -4.60 115.22 108.57 2jql n HIS 77 Ca 0.26 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.35 2jql n HIS 77 Cb 0.83 -0.06 -0.02 0.00 -0.12 0.00 0.00 29.99 30.62 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 -2.46 -1.55 0.02 1.57 0.00 -1.17 -3.03 121.76 115.14 2jql s ALA 78 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.38 2jql s ALA 78 Cb 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2jql s ALA 78 CO 0.00 -0.86 -0.25 -1.83 0.00 0.00 0.00 175.76 172.81 2jql s GLU 79 N -3.60 1.87 -0.13 0.00 -1.05 -1.00 -1.30 118.70 113.49 2jql s GLU 79 Ca 0.06 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.90 2jql s GLU 79 Cb -0.02 -1.94 0.01 0.00 -0.44 0.00 0.00 34.13 31.73 2jql s GLU 79 CO -0.05 0.51 -0.22 -0.06 0.95 0.00 0.00 175.26 176.40 2jql s PHE 80 N -0.71 2.66 -0.33 4.83 0.40 0.15 -1.83 117.98 123.15 2jql s PHE 80 Ca 0.11 -1.24 -0.17 0.00 -0.60 0.00 0.00 56.93 55.03 2jql s PHE 80 Cb -0.10 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 2jql s PHE 80 CO 0.01 -0.55 0.45 -1.01 0.70 0.00 0.00 175.22 174.82 2jql s HIS 81 N 0.70 3.20 -0.36 0.36 3.76 0.15 0.20 115.29 123.30 2jql s HIS 81 Ca -0.10 0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2jql s HIS 81 Cb -0.16 -2.79 0.03 0.00 1.11 0.00 0.00 32.58 30.78 2jql s HIS 81 CO 0.01 -0.45 0.16 -1.17 -0.85 0.00 0.00 174.74 172.45 2jql s LEU 82 N 2.24 4.56 -0.06 0.89 2.96 -0.96 -0.15 118.68 128.16 2jql s LEU 82 Ca 0.16 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.05 2jql s LEU 82 Cb -0.16 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2jql s LEU 82 CO 0.12 -0.37 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.82 2jql s LEU 83 N 1.48 2.33 -0.19 -0.68 1.43 -0.94 -2.00 118.68 120.11 2jql s LEU 83 Ca 0.00 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2jql s LEU 83 Cb -0.19 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2jql s LEU 83 CO 0.05 0.28 -0.01 -1.58 0.23 0.00 0.00 176.35 175.32 2jql s GLN 84 N -0.37 3.61 -0.06 1.70 0.74 -1.26 -2.87 119.66 121.16 2jql s GLN 84 Ca 0.03 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 54.91 2jql s GLN 84 Cb -0.12 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.97 2jql s GLN 84 CO 0.02 0.05 -0.03 -1.64 -0.55 0.00 0.00 175.29 173.14 2jql s MET 85 N 0.90 0.79 -0.33 1.67 -1.94 -1.07 -5.06 119.30 114.25 2jql s MET 85 Ca 0.01 -0.04 -0.17 0.00 -1.71 0.00 0.00 55.69 53.78 2jql s MET 85 Cb -0.14 -0.93 -0.01 0.00 2.01 0.00 0.00 34.83 35.76 2jql s MET 85 CO 0.02 -0.17 0.48 0.16 -0.01 0.00 0.00 175.02 175.49 2jql s ASP 86 N 1.34 6.30 -0.14 3.03 -4.77 -1.26 -1.19 116.67 119.99 2jql s ASP 86 Ca -0.04 0.02 0.01 0.00 -3.30 0.00 0.00 52.55 49.24 2jql s ASP 86 Cb -0.13 -2.25 0.02 0.00 -1.09 0.00 0.00 42.92 39.46 2jql s ASP 86 CO -0.02 -0.41 -0.18 0.68 0.70 0.00 0.00 175.17 175.94 2jql s VAL 87 N 2.30 1.77 0.13 2.11 -7.23 -1.14 -4.91 120.40 113.43 2jql s VAL 87 Ca 0.18 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 2jql s VAL 87 Cb -0.16 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.17 2jql s VAL 87 CO 0.12 0.49 0.00 0.47 -0.31 0.00 0.00 175.10 175.88 2jql n ASP 88 N 4.40 -6.64 -0.30 4.85 8.00 -1.26 -3.24 116.55 122.36 2jql n ASP 88 Ca -0.19 0.58 0.34 0.00 0.71 0.00 0.00 54.79 56.24 2jql n ASP 88 Cb 0.51 -1.64 0.74 0.00 -0.02 0.00 0.00 41.12 40.71 2jql n ASP 88 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2jql h ASN 89 N -0.50 0.00 -4.67 -2.24 -0.73 -2.00 -3.40 115.58 102.03 2jql h ASN 89 Ca 0.01 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.01 2jql h ASN 89 Cb 0.49 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.10 2jql h ASN 89 CO 0.00 0.00 -0.01 0.49 -0.37 0.00 0.00 177.43 177.55 2jql n PHE 90 N -4.06 -2.88 -4.43 0.67 3.72 -1.20 -5.13 117.46 104.14 2jql n PHE 90 Ca 0.25 -0.71 -0.20 0.00 -0.05 0.00 0.00 57.45 56.74 2jql n PHE 90 Cb 1.25 -0.21 -0.14 0.00 -0.94 0.00 0.00 39.48 39.43 2jql n PHE 90 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2jql s GLN 91 N -3.03 0.90 -0.13 -1.08 -2.07 -1.25 -2.87 119.66 110.12 2jql s GLN 91 Ca 0.22 -0.52 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 2jql s GLN 91 Cb -0.02 -0.88 -0.00 0.00 -1.09 0.00 0.00 33.01 31.03 2jql s GLN 91 CO 0.14 0.23 -0.17 0.50 -1.32 0.00 0.00 175.29 174.67 2jql s ARG 92 N -0.58 3.20 -0.07 9.60 3.52 -0.33 -4.85 118.95 129.43 2jql s ARG 92 Ca 0.03 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 2jql s ARG 92 Cb -0.06 -2.53 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 2jql s ARG 92 CO 0.00 0.10 -0.08 -0.80 -0.81 0.00 0.00 175.30 173.71 2jql s ASN 93 N 0.60 4.54 -0.01 -2.12 0.01 -1.26 -2.61 114.94 114.08 2jql s ASN 93 Ca -0.10 -0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.02 2jql s ASN 93 Cb -0.16 -1.18 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 2jql s ASN 93 CO 0.03 0.34 -0.10 -0.76 -1.51 0.00 0.00 177.10 175.10 2jql s LEU 94 N -0.68 1.96 -0.00 0.60 2.01 -1.14 -4.90 118.68 116.53 2jql s LEU 94 Ca 0.10 -0.19 0.06 0.00 0.01 0.00 0.00 54.13 54.12 2jql s LEU 94 Cb -0.11 -0.54 -0.02 0.00 0.01 0.00 0.00 46.19 45.53 2jql s LEU 94 CO 0.02 0.11 -0.20 -0.63 1.01 0.00 0.00 176.35 176.66 2jql s ILE 95 N -0.14 1.57 -0.12 -0.59 1.09 -1.14 -2.21 121.20 119.67 2jql s ILE 95 Ca 0.02 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 2jql s ILE 95 Cb -0.05 -1.32 -0.02 0.00 -1.06 0.00 0.00 42.46 40.01 2jql s ILE 95 CO -0.00 0.38 -0.13 0.21 -0.10 0.00 0.00 174.94 175.30 2jql s ASN 96 N -0.63 4.07 -0.17 3.58 3.04 0.79 0.10 114.94 125.72 2jql s ASN 96 Ca 0.07 -0.29 -0.06 0.00 0.04 0.00 0.00 52.86 52.62 2jql s ASN 96 Cb -0.08 -1.51 -0.04 0.00 -1.54 0.00 0.00 41.25 38.09 2jql s ASN 96 CO -0.00 0.19 0.03 -0.69 -3.04 0.00 0.00 177.10 173.59 2jql s VAL 97 N 0.18 4.48 -0.09 -5.21 1.01 -0.22 0.33 120.40 120.87 2jql s VAL 97 Ca -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2jql s VAL 97 Cb -0.15 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2jql s VAL 97 CO 0.05 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 2jql s ILE 98 N 0.33 1.16 -0.22 2.22 1.09 -0.76 -2.85 121.20 122.16 2jql s ILE 98 Ca 0.01 -0.43 -0.22 0.00 -1.10 0.00 0.00 60.65 58.90 2jql s ILE 98 Cb -0.13 -1.11 -0.02 0.00 -1.06 0.00 0.00 42.46 40.15 2jql s ILE 98 CO 0.01 0.38 0.70 -0.62 -0.10 0.00 0.00 174.94 175.31 2jql s ASP 99 N 1.16 6.72 0.39 3.58 -1.08 -1.26 -2.37 116.67 123.82 2jql s ASP 99 Ca -0.05 0.89 0.21 0.00 -0.52 0.00 0.00 52.55 53.08 2jql s ASP 99 Cb -0.14 -2.38 0.51 0.00 -1.46 0.00 0.00 42.92 39.45 2jql s ASP 99 CO -0.03 -0.37 1.65 0.50 0.52 0.00 0.00 175.17 177.45 2jql h LYS 100 N 7.62 0.00 -4.39 4.34 1.63 -1.79 -3.49 116.57 120.50 2jql h LYS 100 Ca -0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2jql h LYS 100 Cb 1.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2jql h LYS 100 CO 0.80 0.25 -0.47 0.43 -3.45 0.00 0.00 179.45 177.02 2jql n SER 101 N -3.24 -5.78 0.00 4.20 7.64 -1.26 -5.02 113.62 110.16 2jql n SER 101 Ca 0.02 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2jql n SER 101 Cb 0.55 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 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 0.02 0.00 -0.01 1.43 1.74 -1.26 -4.99 116.66 113.59 2jql n ARG 102 Ca 0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2jql n ARG 102 Cb 0.15 -0.04 -0.01 0.00 -1.02 0.00 0.00 32.46 31.54 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jql n ASN 103 N -2.31 3.86 0.00 0.55 4.13 -1.26 -5.07 115.26 115.16 2jql n ASN 103 Ca 0.00 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2jql n ASN 103 Cb 0.00 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 3.36 3.48 3.02 7.41 0.00 -1.26 -4.88 105.19 116.32 2jql n GLY 104 Ca -0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 1.39 -0.04 2.61 2.01 -1.26 0.10 115.64 120.45 2jql s THR 105 Ca 0.00 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.51 2jql s THR 105 Cb 0.00 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2jql s THR 105 CO 0.00 0.42 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.75 2jql s PHE 106 N 1.21 2.28 -0.04 4.92 0.40 0.19 -4.34 117.98 122.60 2jql s PHE 106 Ca -0.03 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 2jql s PHE 106 Cb -0.14 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 2jql s PHE 106 CO -0.04 -0.14 -0.21 -1.50 0.70 0.00 0.00 175.22 174.02 2jql s ILE 107 N -0.31 1.74 -1.42 0.64 1.10 -0.70 0.10 121.20 122.35 2jql s ILE 107 Ca 0.02 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.25 2jql s ILE 107 Cb -0.12 -1.47 0.00 0.00 0.15 0.00 0.00 42.46 41.02 2jql s ILE 107 CO 0.02 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.93 2jql n ASN 108 N 2.84 -4.77 0.00 4.50 5.03 0.13 -1.75 115.26 121.24 2jql n ASN 108 Ca -0.17 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.34 2jql n ASN 108 Cb 0.52 -3.85 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 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 -1.02 0.32 3.08 7.41 0.00 -1.26 -4.98 105.19 108.74 2jql n GLY 109 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.06 1.10 0.15 1.61 0.01 -0.72 -5.12 114.94 109.91 2jql s ASN 110 Ca 0.00 -0.49 -0.31 0.00 -0.71 0.00 0.00 52.86 51.35 2jql s ASN 110 Cb 0.00 -0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.55 2jql s ASN 110 CO 0.00 -0.11 1.47 0.00 -1.51 0.00 0.00 177.10 176.95 2jql s ARG 111 N -1.36 4.27 0.07 -0.60 1.70 -1.26 -1.72 118.95 120.06 2jql s ARG 111 Ca -0.05 2.22 -0.22 0.00 -0.47 0.00 0.00 55.73 57.20 2jql s ARG 111 Cb -0.09 -3.19 -0.06 0.00 -0.57 0.00 0.00 34.95 31.04 2jql s ARG 111 CO 0.01 -0.50 0.66 -0.48 -1.08 0.00 0.00 175.30 173.91 2jql s LEU 112 N 0.92 4.51 0.00 -1.89 0.05 -1.26 -4.92 118.68 116.09 2jql s LEU 112 Ca 0.66 1.36 0.00 0.00 0.05 0.00 0.00 54.13 56.20 2jql s LEU 112 Cb -0.40 -3.06 0.00 0.00 -2.05 0.00 0.00 46.19 40.68 2jql s LEU 112 CO 0.32 0.18 0.00 0.55 -0.55 0.00 0.00 176.35 176.85 2jql n VAL 113 N 2.10 0.00 -1.51 1.48 3.14 -1.26 -5.06 118.33 117.22 2jql n VAL 113 Ca -0.07 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.98 2jql n VAL 113 Cb 0.50 -0.73 0.07 0.00 -1.06 0.00 0.00 33.84 32.63 2jql n VAL 113 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2jql s LYS 114 N -1.94 2.41 0.28 1.45 1.02 -1.26 -5.03 119.74 116.67 2jql s LYS 114 Ca 0.00 1.46 -0.05 0.00 0.02 0.00 0.00 55.97 57.40 2jql s LYS 114 Cb 0.00 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 2jql s LYS 114 CO 0.00 -1.57 0.54 0.15 -0.92 0.00 0.00 175.35 173.55 2jql s LYS 115 N -4.22 3.63 -0.64 1.68 1.02 -1.26 -4.62 119.74 115.33 2jql s LYS 115 Ca 0.68 -0.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.61 2jql s LYS 115 Cb -0.22 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2jql s LYS 115 CO 0.46 0.24 0.67 -3.47 -0.92 0.00 0.00 175.35 172.32 2jql n ASP 116 N -0.86 -7.85 -4.76 2.83 -0.08 -1.26 -4.97 116.55 99.60 2jql n ASP 116 Ca -0.02 0.12 -0.40 0.00 -1.51 0.00 0.00 54.79 52.99 2jql n ASP 116 Cb 0.54 -5.34 -0.06 0.00 2.34 0.00 0.00 41.12 38.60 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2jql s TYR 117 N -2.88 3.86 -0.30 -0.67 5.04 -1.13 -4.93 117.35 116.33 2jql s TYR 117 Ca 0.08 1.65 -0.13 0.00 -2.44 0.00 0.00 57.07 56.23 2jql s TYR 117 Cb -0.02 -2.85 -0.03 0.00 0.35 0.00 0.00 41.96 39.41 2jql s TYR 117 CO 0.76 0.40 0.26 -1.50 -1.34 0.00 0.00 175.55 174.13 2jql s ILE 118 N -0.69 5.26 -0.14 3.14 1.10 -1.26 -1.06 121.20 127.55 2jql s ILE 118 Ca 0.39 0.15 -0.06 0.00 -0.51 0.00 0.00 60.65 60.61 2jql s ILE 118 Cb -0.23 -3.65 -0.04 0.00 0.15 0.00 0.00 42.46 38.70 2jql s ILE 118 CO 0.26 0.13 0.07 -0.22 -2.11 0.00 0.00 174.94 173.07 2jql s LEU 119 N 1.85 3.95 0.39 8.50 0.20 0.12 -4.97 118.68 128.72 2jql s LEU 119 Ca 0.09 0.23 0.05 0.00 0.69 0.00 0.00 54.13 55.19 2jql s LEU 119 Cb -0.16 -1.97 -0.07 0.00 -0.43 0.00 0.00 46.19 43.56 2jql s LEU 119 CO 0.11 0.30 0.03 -0.75 -0.29 0.00 0.00 176.35 175.75 2jql s LYS 120 N -0.38 1.89 0.59 1.98 2.20 -1.26 -2.87 119.74 121.89 2jql s LYS 120 Ca 0.10 -2.08 -0.20 0.00 -0.36 0.00 0.00 55.97 53.43 2jql s LYS 120 Cb -0.12 -1.37 -0.03 0.00 -1.51 0.00 0.00 37.83 34.80 2jql s LYS 120 CO 0.02 -0.13 1.31 0.27 -0.36 0.00 0.00 175.35 176.45 2jql n ASN 121 N -0.93 2.31 -2.54 1.43 6.94 -1.26 -3.05 115.26 118.16 2jql n ASN 121 Ca -0.05 0.90 -0.17 0.00 -0.02 0.00 0.00 54.58 55.24 2jql n ASN 121 Cb 0.67 -1.56 0.05 0.00 -2.36 0.00 0.00 39.78 36.58 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 0.86 -0.12 3.54 4.83 0.00 0.18 -4.96 105.19 109.54 2jql n GLY 122 Ca 0.13 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.11 4.38 -0.18 1.61 1.01 -1.16 -4.95 116.67 114.28 2jql s ASP 123 Ca 0.36 -0.15 -0.15 0.00 0.71 0.00 0.00 52.55 53.32 2jql s ASP 123 Cb -0.16 -0.99 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 2jql s ASP 123 CO 0.44 0.32 0.34 -0.60 0.21 0.00 0.00 175.17 175.89 2jql s ARG 124 N -1.05 4.22 -0.03 8.23 3.52 -1.26 -1.93 118.95 130.66 2jql s ARG 124 Ca 0.14 0.15 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 2jql s ARG 124 Cb -0.11 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 2jql s ARG 124 CO 0.04 0.11 -0.19 0.42 -0.81 0.00 0.00 175.30 174.87 2jql s ILE 125 N 0.84 1.54 -0.13 4.11 1.09 0.13 0.20 121.20 128.98 2jql s ILE 125 Ca 0.18 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 58.93 2jql s ILE 125 Cb -0.14 -1.30 0.01 0.00 -1.06 0.00 0.00 42.46 39.98 2jql s ILE 125 CO 0.06 0.44 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.47 2jql s VAL 126 N -0.27 1.75 -0.27 2.92 1.01 0.28 0.31 120.40 126.12 2jql s VAL 126 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2jql s VAL 126 Cb -0.09 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2jql s VAL 126 CO 0.01 0.49 -0.04 -0.36 0.00 0.00 0.00 175.10 175.19 2jql s PHE 127 N 1.04 3.18 0.00 5.22 0.40 0.11 0.55 117.98 128.48 2jql s PHE 127 Ca -0.04 -1.82 0.00 0.00 -0.60 0.00 0.00 56.93 54.48 2jql s PHE 127 Cb -0.15 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.32 2jql s PHE 127 CO -0.04 -0.79 0.00 0.41 0.70 0.00 0.00 175.22 175.50 2jql n GLY 128 N 4.61 2.03 0.00 4.36 0.00 0.29 -3.89 105.19 112.60 2jql n GLY 128 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2jql n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 129 N 0.00 0.00 -0.03 1.61 5.02 -1.26 -4.61 118.16 118.88 2jql n LYS 129 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 2jql n LYS 129 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jql n SER 130 N -0.46 3.60 -4.59 4.39 3.41 -1.26 -4.97 113.62 113.74 2jql n SER 130 Ca 0.00 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 2jql n SER 130 Cb 0.00 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 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 9.36 2.42 0.04 0.00 1.04 -1.26 0.05 113.70 125.35 2jql s SER 132 Ca 1.00 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 2jql s SER 132 Cb -0.29 -0.40 -0.02 0.00 0.10 0.00 0.00 66.02 65.41 2jql s SER 132 CO 0.33 0.23 0.04 0.72 0.98 0.00 0.00 173.24 175.54 2jql s PHE 133 N -0.33 0.31 -0.14 5.02 -0.71 0.15 0.98 117.98 123.26 2jql s PHE 133 Ca 0.04 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.25 2jql s PHE 133 Cb -0.09 -0.22 -0.00 0.00 -1.21 0.00 0.00 43.02 41.49 2jql s PHE 133 CO 0.00 -0.35 -0.17 -1.17 -1.34 0.00 0.00 175.22 172.18 2jql s LEU 134 N -2.33 2.40 -0.08 -1.99 0.20 0.72 0.17 118.68 117.78 2jql s LEU 134 Ca -0.02 -0.47 -0.07 0.00 0.69 0.00 0.00 54.13 54.26 2jql s LEU 134 Cb 0.01 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 2jql s LEU 134 CO -0.06 0.12 0.18 0.12 -0.29 0.00 0.00 176.35 176.42 2jql s PHE 135 N 0.61 3.60 -0.08 5.38 2.19 -0.81 -1.10 117.98 127.76 2jql s PHE 135 Ca -0.10 0.54 -0.21 0.00 0.33 0.00 0.00 56.93 57.49 2jql s PHE 135 Cb -0.16 -1.95 0.05 0.00 -1.31 0.00 0.00 43.02 39.65 2jql s PHE 135 CO 0.03 0.70 0.50 0.21 1.83 0.00 0.00 175.22 178.49 2jql s LYS 136 N -1.27 0.78 0.29 10.12 2.20 -0.47 0.50 119.74 131.88 2jql s LYS 136 Ca 0.19 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 2jql s LYS 136 Cb -0.13 0.36 -0.10 0.00 -1.51 0.00 0.00 37.83 36.46 2jql s LYS 136 CO 0.09 -0.19 1.15 0.71 -0.36 0.00 0.00 175.35 176.74 2jql s TYR 137 N -0.76 3.46 -0.14 4.03 2.02 -1.26 -0.76 117.35 123.93 2jql s TYR 137 Ca -0.08 1.63 -0.00 0.00 -0.37 0.00 0.00 57.07 58.24 2jql s TYR 137 Cb -0.03 -3.38 0.03 0.00 -0.40 0.00 0.00 41.96 38.19 2jql s TYR 137 CO 0.05 -0.86 -0.07 0.00 -1.57 0.00 0.00 175.55 173.10 2jql s ALA 138 N -1.12 1.44 -0.51 3.71 0.00 -0.42 -4.82 121.76 120.05 2jql s ALA 138 Ca 0.46 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2jql s ALA 138 Cb -0.34 -1.04 0.17 0.00 0.00 0.00 0.00 23.12 21.91 2jql s ALA 138 CO 0.44 -0.62 0.38 0.45 0.00 0.00 0.00 175.76 176.40 2jql s SER 139 N 1.66 2.78 0.54 0.00 0.15 -1.26 -3.96 113.70 113.60 2jql s SER 139 Ca 0.03 -3.27 0.00 0.00 0.70 0.00 0.00 55.95 53.41 2jql s SER 139 Cb -0.14 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2jql s SER 139 CO -0.08 -0.15 0.00 -1.54 1.20 0.00 0.00 173.24 172.67 2jql n SER 140 N 2.65 -7.11 -4.21 5.45 3.41 -1.26 -4.65 113.62 107.90 2jql n SER 140 Ca 0.24 0.92 -0.37 0.00 -0.26 0.00 0.00 58.87 59.40 2jql n SER 140 Cb 0.42 -2.60 -0.12 0.00 -0.26 0.00 0.00 64.21 61.65 2jql n SER 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jql s SER 141 N -5.73 5.25 0.23 4.04 0.01 -1.26 -5.09 113.70 111.14 2jql s SER 141 Ca 0.00 -1.47 0.06 0.00 1.31 0.00 0.00 55.95 55.85 2jql s SER 141 Cb 0.00 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 2jql s SER 141 CO 0.00 -0.40 0.23 -0.55 0.41 0.00 0.00 173.24 172.92 2jql s SER 142 N 1.61 5.75 0.50 2.44 0.15 -1.26 -5.13 113.70 117.74 2jql s SER 142 Ca 0.01 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.57 2jql s SER 142 Cb -0.21 -1.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.61 2jql s SER 142 CO -0.00 -0.02 0.44 0.35 1.20 0.00 0.00 173.24 175.21 2jql n THR 143 N -1.07 0.00 -4.05 6.45 -2.24 -1.26 -5.15 114.28 106.97 2jql n THR 143 Ca -0.08 -1.90 -0.14 0.00 -2.27 0.00 0.00 64.05 59.65 2jql n THR 143 Cb 0.57 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.48 2jql n THR 143 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jql s ASP 144 N -3.96 0.39 -0.32 3.42 1.01 -1.26 -5.03 116.67 110.92 2jql s ASP 144 Ca 0.34 -0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.61 2jql s ASP 144 Cb -0.03 -0.04 0.69 0.00 1.01 0.00 0.00 42.92 44.56 2jql s ASP 144 CO 0.21 0.02 1.75 -0.38 0.21 0.00 0.00 175.17 176.98 2jql n ILE 145 N 2.90 2.87 -1.34 0.77 -0.00 -1.26 -5.06 119.36 118.25 2jql n ILE 145 Ca -0.13 -1.82 0.17 0.00 -0.00 0.00 0.00 62.75 60.97 2jql n ILE 145 Cb 0.59 -0.36 -0.07 0.00 -0.00 0.00 0.00 39.64 39.80 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 -0.41 -2.94 -2.51 0.38 1.02 -1.26 -5.01 120.64 109.91 2jql n GLU 146 Ca 0.40 2.24 -0.04 0.00 -0.02 0.00 0.00 57.16 59.74 2jql n GLU 146 Cb 1.34 -3.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.23 2jql n GLU 146 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jql n ASN 147 N -4.18 -2.43 -4.38 1.62 3.02 -1.26 -4.90 115.26 102.76 2jql n ASN 147 Ca -0.05 1.44 -0.45 0.00 -0.03 0.00 0.00 54.58 55.49 2jql n ASN 147 Cb 0.63 -5.17 -0.03 0.00 -0.61 0.00 0.00 39.78 34.60 2jql n ASN 147 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jql s ASP 148 N -0.63 6.46 0.44 6.41 1.11 -1.26 -5.03 116.67 124.17 2jql s ASP 148 Ca -0.22 -1.96 0.05 0.00 0.18 0.00 0.00 52.55 50.60 2jql s ASP 148 Cb 0.01 -2.30 0.05 0.00 1.07 0.00 0.00 42.92 41.76 2jql s ASP 148 CO 0.60 -0.94 0.43 0.47 1.18 0.00 0.00 175.17 176.91 2jql n ASP 149 N 5.68 2.14 -4.00 0.27 8.00 -1.26 -5.10 116.55 122.27 2jql n ASP 149 Ca 0.05 -2.40 -0.31 0.00 0.71 0.00 0.00 54.79 52.84 2jql n ASP 149 Cb 0.45 -0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 2jql n ASP 149 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jql s GLU 150 N -3.88 1.69 -0.16 -1.24 2.02 -1.26 -5.08 118.70 110.79 2jql s GLU 150 Ca 0.33 -2.14 -0.29 0.00 0.02 0.00 0.00 54.97 52.88 2jql s GLU 150 Cb -0.03 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2jql s GLU 150 CO 0.21 -1.01 1.76 0.15 0.02 0.00 0.00 175.26 176.39 2jql s LYS 151 N 0.48 3.82 -0.84 1.61 -0.14 -1.26 -4.90 119.74 118.51 2jql s LYS 151 Ca 0.13 1.94 -0.00 0.00 -1.36 0.00 0.00 55.97 56.68 2jql s LYS 151 Cb -0.22 -4.09 0.35 0.00 -1.68 0.00 0.00 37.83 32.19 2jql s LYS 151 CO -0.05 -1.28 1.76 1.55 -0.76 0.00 0.00 175.35 176.56 2jql n VAL 152 N 6.31 4.30 -4.10 3.17 3.14 -1.26 -4.97 118.33 124.93 2jql n VAL 152 Ca 0.20 -5.08 -0.12 0.00 -2.96 0.00 0.00 64.34 56.38 2jql n VAL 152 Cb 0.44 -1.37 -0.11 0.00 -1.06 0.00 0.00 33.84 31.75 2jql n VAL 152 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2jql s SER 153 N -1.66 0.94 -0.91 6.55 0.01 -1.26 -5.09 113.70 112.27 2jql s SER 153 Ca 0.47 -0.71 -0.24 0.00 1.31 0.00 0.00 55.95 56.78 2jql s SER 153 Cb 0.33 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.65 2jql s SER 153 CO -0.27 -0.30 1.52 -0.55 0.41 0.00 0.00 173.24 174.06 2jql s SER 154 N -2.08 6.12 0.09 2.44 0.15 -1.26 -4.97 113.70 114.19 2jql s SER 154 Ca -0.03 -0.99 0.08 0.00 0.70 0.00 0.00 55.95 55.71 2jql s SER 154 Cb -0.05 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2jql s SER 154 CO -0.01 -1.85 -0.15 -0.70 1.20 0.00 0.00 173.24 171.73 2jql s GLU 155 N 5.62 1.97 -0.04 5.44 2.56 -1.26 -5.06 118.70 127.93 2jql s GLU 155 Ca 0.49 -1.08 -0.09 0.00 0.00 0.00 0.00 54.97 54.30 2jql s GLU 155 Cb -0.04 -2.20 -0.03 0.00 2.00 0.00 0.00 34.13 33.87 2jql s GLU 155 CO -0.01 0.51 -0.17 0.45 -0.56 0.00 0.00 175.26 175.47 2jql n SER 156 N 0.96 1.47 -4.32 -1.70 2.88 -1.26 -4.98 113.62 106.68 2jql n SER 156 Ca -0.15 0.23 -0.37 0.00 -1.33 0.00 0.00 58.87 57.25 2jql n SER 156 Cb 0.52 -0.53 -0.13 0.00 -0.75 0.00 0.00 64.21 63.32 2jql n SER 156 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jql s ARG 157 N -2.40 3.03 0.91 -1.46 1.70 -1.26 -5.10 118.95 114.37 2jql s ARG 157 Ca -0.14 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.11 2jql s ARG 157 Cb 0.02 -3.32 0.14 0.00 -0.57 0.00 0.00 34.95 31.22 2jql s ARG 157 CO 0.21 -0.45 1.09 -1.12 -1.08 0.00 0.00 175.30 173.95 2jql s SER 158 N 1.47 3.33 0.00 -2.89 0.01 -1.26 -5.28 113.70 109.08 2jql s SER 158 Ca 0.02 1.53 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2jql s SER 158 Cb -0.17 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2jql s SER 158 CO 0.01 -2.73 0.20 0.00 0.41 0.00 0.00 173.24 171.13