#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql n ARG 20 N 0.00 0.00 -0.02 1.97 5.12 -1.26 -5.01 116.66 117.47 2jql n ARG 20 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2jql n ARG 20 Cb 0.00 -0.12 -0.01 0.00 -1.16 0.00 0.00 32.46 31.16 2jql n ARG 20 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2jql n GLN 21 N -3.37 0.07 -3.03 5.56 3.00 -1.26 -5.12 117.38 113.23 2jql n GLN 21 Ca 0.00 0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.93 2jql n GLN 21 Cb 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 30.24 29.32 2jql n GLN 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jql n GLN 22 N -2.77 0.57 0.00 -1.09 6.02 -1.26 -5.09 117.38 113.76 2jql n GLN 22 Ca -0.06 -1.71 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 2jql n GLN 22 Cb 0.55 1.80 0.00 0.00 1.02 0.00 0.00 30.24 33.61 2jql n GLN 22 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jql n ARG 23 N -0.37 0.00 0.06 -1.09 5.12 -1.26 -4.71 116.66 114.41 2jql n ARG 23 Ca -0.02 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.87 2jql n ARG 23 Cb 0.39 -0.01 -0.02 0.00 -1.16 0.00 0.00 32.46 31.66 2jql n ARG 23 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2jql h SER 24 N 0.00 -0.18 -3.35 0.55 0.02 -2.07 -3.47 113.55 105.06 2jql h SER 24 Ca 0.00 0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 2jql h SER 24 Cb 0.00 0.05 0.21 0.00 0.14 0.00 0.00 62.40 62.79 2jql h SER 24 CO 0.00 0.13 0.03 0.20 -1.14 0.00 0.00 176.83 176.05 2jql s ASN 25 N -4.37 1.14 -0.49 3.07 -0.87 -1.26 -4.95 114.94 107.21 2jql s ASN 25 Ca -0.03 1.50 -0.22 0.00 -1.57 0.00 0.00 52.86 52.54 2jql s ASN 25 Cb 0.00 -2.27 0.04 0.00 -0.02 0.00 0.00 41.25 39.00 2jql s ASN 25 CO 0.09 -4.10 0.77 -0.75 -2.57 0.00 0.00 177.10 170.54 2jql s LYS 26 N -4.51 3.31 0.35 -0.60 2.47 -1.26 -5.00 119.74 114.50 2jql s LYS 26 Ca 0.68 -0.35 -0.28 0.00 -1.56 0.00 0.00 55.97 54.47 2jql s LYS 26 Cb -0.24 -4.00 -0.10 0.00 -1.46 0.00 0.00 37.83 32.03 2jql s LYS 26 CO 0.64 -1.22 1.28 -1.25 0.16 0.00 0.00 175.35 174.96 2jql s PRO 27 N 3.26 4.24 -0.44 4.03 0.04 -1.26 -4.99 135.00 139.88 2jql s PRO 27 Ca 0.26 2.15 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 2jql s PRO 27 Cb -0.14 -2.96 0.04 0.00 0.04 0.00 0.00 34.50 31.48 2jql s PRO 27 CO 0.19 -0.26 0.38 0.45 0.04 0.00 0.00 177.00 177.80 2jql s SER 28 N -0.63 6.14 -0.40 6.66 0.15 -1.26 -4.93 113.70 119.44 2jql s SER 28 Ca 0.51 -1.02 0.04 0.00 0.70 0.00 0.00 55.95 56.18 2jql s SER 28 Cb -0.38 -2.19 0.63 0.00 -1.71 0.00 0.00 66.02 62.37 2jql s SER 28 CO 0.50 -0.57 1.83 -1.54 1.20 0.00 0.00 173.24 174.66 2jql n SER 29 N 5.31 3.81 -3.70 5.45 3.41 -1.26 -4.86 113.62 121.78 2jql n SER 29 Ca -0.11 -3.43 -0.11 0.00 -0.26 0.00 0.00 58.87 54.96 2jql n SER 29 Cb 0.46 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.49 2jql n SER 29 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jql s GLU 30 N -3.00 0.29 0.00 4.33 2.02 -1.26 -5.12 118.70 115.96 2jql s GLU 30 Ca 0.52 0.70 0.00 0.00 0.02 0.00 0.00 54.97 56.21 2jql s GLU 30 Cb 0.44 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.63 2jql s GLU 30 CO 0.10 -0.18 0.00 0.66 0.02 0.00 0.00 175.26 175.86 2jql n TYR 31 N 4.46 0.00 -3.76 1.61 4.02 -1.26 -4.93 117.16 117.30 2jql n TYR 31 Ca -0.21 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.52 2jql n TYR 31 Cb 0.53 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.00 -0.07 -0.00 -0.72 2.01 -1.26 -5.03 115.64 110.57 2jql s THR 32 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2jql s THR 32 Cb 0.00 -0.11 -0.08 0.00 0.01 0.00 0.00 72.50 72.33 2jql s THR 32 CO 0.00 0.10 1.93 0.00 -0.69 0.00 0.00 174.62 175.96 2jql n LEU 34 N 7.81 2.69 0.00 0.00 -0.00 -1.12 -4.93 117.00 121.45 2jql n LEU 34 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 2jql n LEU 34 Cb 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2jql n LEU 34 CO 0.67 0.48 0.00 0.61 -0.00 0.00 0.00 177.39 179.15 2jql n GLY 35 N 3.35 2.56 3.24 -3.96 0.00 -1.17 -1.18 105.19 108.04 2jql n GLY 35 Ca -0.03 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 2jql n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jql s HIS 36 N -6.97 0.30 -0.25 1.61 3.76 -0.39 -2.16 115.29 111.19 2jql s HIS 36 Ca 0.00 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2jql s HIS 36 Cb 0.00 -0.10 0.07 0.00 1.11 0.00 0.00 32.58 33.66 2jql s HIS 36 CO 0.00 -0.59 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.77 2jql s LEU 37 N -2.91 2.52 -0.26 0.89 1.43 0.03 -2.88 118.68 117.50 2jql s LEU 37 Ca 0.10 -1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 51.81 2jql s LEU 37 Cb 0.05 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2jql s LEU 37 CO -0.06 -0.28 0.23 -0.69 0.23 0.00 0.00 176.35 175.77 2jql s VAL 38 N 1.45 5.29 -0.24 -1.59 1.01 -0.84 -1.64 120.40 123.84 2jql s VAL 38 Ca -0.02 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 2jql s VAL 38 Cb -0.18 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2jql s VAL 38 CO -0.09 0.26 0.62 0.20 0.00 0.00 0.00 175.10 176.09 2jql s ASN 39 N 1.48 6.59 -0.53 3.32 -0.87 0.14 0.02 114.94 125.09 2jql s ASN 39 Ca 0.09 0.72 -0.24 0.00 -1.57 0.00 0.00 52.86 51.87 2jql s ASN 39 Cb -0.15 -2.34 0.04 0.00 -0.02 0.00 0.00 41.25 38.78 2jql s ASN 39 CO 0.09 -0.34 0.91 -0.76 -2.57 0.00 0.00 177.10 174.43 2jql s LEU 40 N 2.35 4.13 -0.01 0.60 1.02 0.15 -2.89 118.68 124.02 2jql s LEU 40 Ca 0.26 -0.28 0.06 0.00 0.02 0.00 0.00 54.13 54.20 2jql s LEU 40 Cb -0.16 -2.88 -0.02 0.00 0.02 0.00 0.00 46.19 43.16 2jql s LEU 40 CO 0.09 -1.16 -0.21 -0.63 0.02 0.00 0.00 176.35 174.46 2jql s ILE 41 N 3.81 1.63 -0.98 -0.59 1.09 -1.10 -4.57 121.20 120.49 2jql s ILE 41 Ca 0.31 -0.89 -0.24 0.00 -1.10 0.00 0.00 60.65 58.73 2jql s ILE 41 Cb -0.12 -1.36 -0.00 0.00 -1.06 0.00 0.00 42.46 39.92 2jql s ILE 41 CO 0.20 0.45 1.73 -2.16 -0.10 0.00 0.00 174.94 175.06 2jql s PRO 42 N -0.51 3.05 0.00 2.79 0.04 -1.26 -2.45 135.00 136.65 2jql s PRO 42 Ca 0.08 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.37 2jql s PRO 42 Cb -0.08 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2jql s PRO 42 CO -0.01 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.58 2jql n GLY 43 N 6.76 0.38 0.00 0.56 0.00 -1.26 -5.11 105.19 106.52 2jql n GLY 43 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2jql n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jql n LYS 44 N 0.00 0.00 -4.10 1.61 4.81 -1.03 -5.19 118.16 114.27 2jql n LYS 44 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2jql n LYS 44 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2jql n LYS 44 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2jql s GLU 45 N -2.00 0.64 -0.05 1.64 -1.05 -1.26 -2.71 118.70 113.91 2jql s GLU 45 Ca 0.00 -1.17 -0.01 0.00 -0.15 0.00 0.00 54.97 53.64 2jql s GLU 45 Cb 0.00 0.04 0.03 0.00 -0.44 0.00 0.00 34.13 33.76 2jql s GLU 45 CO 0.00 -0.07 0.02 -1.14 0.95 0.00 0.00 175.26 175.03 2jql s GLN 46 N -3.50 0.25 -0.17 -4.83 0.74 -1.14 -4.97 119.66 106.03 2jql s GLN 46 Ca 0.05 0.21 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 2jql s GLN 46 Cb 0.04 -0.65 -0.01 0.00 1.10 0.00 0.00 33.01 33.49 2jql s GLN 46 CO -0.07 -0.27 -0.09 0.21 -0.55 0.00 0.00 175.29 174.52 2jql s LYS 47 N 1.79 3.39 -0.02 1.67 2.20 -1.26 0.25 119.74 127.76 2jql s LYS 47 Ca 0.01 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 2jql s LYS 47 Cb -0.12 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2jql s LYS 47 CO -0.03 0.02 -0.21 0.08 -0.36 0.00 0.00 175.35 174.85 2jql s VAL 48 N 0.87 1.64 -0.05 4.02 1.01 -0.65 -4.97 120.40 122.27 2jql s VAL 48 Ca -0.02 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 2jql s VAL 48 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2jql s VAL 48 CO 0.01 0.46 0.72 -0.70 0.00 0.00 0.00 175.10 175.59 2jql s GLU 49 N -0.48 4.45 -0.10 2.72 2.12 -1.26 -0.79 118.70 125.36 2jql s GLU 49 Ca 0.08 0.93 0.02 0.00 0.36 0.00 0.00 54.97 56.36 2jql s GLU 49 Cb -0.08 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2jql s GLU 49 CO -0.01 0.09 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.14 2jql s ILE 50 N 0.68 2.71 0.39 -3.70 2.07 -0.92 -4.96 121.20 117.48 2jql s ILE 50 Ca 0.38 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.90 2jql s ILE 50 Cb -0.18 -2.09 -0.01 0.00 0.13 0.00 0.00 42.46 40.31 2jql s ILE 50 CO 0.19 0.55 0.47 0.42 -1.91 0.00 0.00 174.94 174.66 2jql s THR 51 N 0.13 3.28 0.00 4.00 -4.23 -1.26 -2.81 115.64 114.75 2jql s THR 51 Ca -0.09 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2jql s THR 51 Cb -0.15 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2jql s THR 51 CO 0.05 -0.06 0.00 -0.46 -0.54 0.00 0.00 174.62 173.61 2jql n ASN 52 N -1.68 0.00 0.00 3.99 0.23 -1.21 -4.83 115.26 111.76 2jql n ASN 52 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2jql n ASN 52 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.00 0.00 0.00 -3.83 0.63 -1.26 -3.91 116.66 108.29 2jql n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jql n ARG 53 Cb 0.00 -2.98 0.00 0.00 0.45 0.00 0.00 32.46 29.93 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 0.00 0.00 -3.94 6.15 4.13 -0.83 -4.80 115.26 115.97 2jql n ASN 54 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 2jql n ASN 54 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jql s VAL 55 N 0.00 0.39 -0.11 2.41 1.01 -1.25 -1.59 120.40 121.24 2jql s VAL 55 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2jql s VAL 55 Cb 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2jql s VAL 55 CO 0.00 0.12 -0.15 -0.89 0.00 0.00 0.00 175.10 174.18 2jql s THR 56 N 0.03 1.49 -0.22 3.92 2.01 0.56 -4.85 115.64 118.58 2jql s THR 56 Ca 0.00 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 2jql s THR 56 Cb -0.04 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2jql s THR 56 CO -0.00 0.44 0.09 0.42 -0.69 0.00 0.00 174.62 174.87 2jql s THR 57 N 1.08 4.73 -0.20 -0.82 -4.23 -1.26 0.14 115.64 115.08 2jql s THR 57 Ca -0.05 -0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 2jql s THR 57 Cb -0.14 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2jql s THR 57 CO -0.03 0.39 0.01 -0.63 -0.54 0.00 0.00 174.62 173.82 2jql s ILE 58 N 0.98 4.07 -0.88 2.99 1.09 -0.33 0.11 121.20 129.23 2jql s ILE 58 Ca 0.05 -0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 2jql s ILE 58 Cb -0.14 -2.84 0.00 0.00 -1.06 0.00 0.00 42.46 38.42 2jql s ILE 58 CO 0.03 0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.91 2jql n GLY 59 N 4.20 -0.67 0.02 6.18 0.00 -1.00 -3.00 105.19 110.92 2jql n GLY 59 Ca -0.17 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.51 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 1.17 -1.51 1.61 0.63 -1.24 -2.38 116.66 114.93 2jql n ARG 60 Ca 0.00 -0.05 -0.44 0.00 -0.92 0.00 0.00 57.85 56.44 2jql n ARG 60 Cb 0.00 -1.21 -0.01 0.00 0.45 0.00 0.00 32.46 31.70 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 -1.99 0.07 0.29 6.15 2.88 -1.26 -4.83 113.62 114.93 2jql n SER 61 Ca -0.06 1.05 0.16 0.00 -1.33 0.00 0.00 58.87 58.70 2jql n SER 61 Cb 0.43 -1.18 0.84 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.33 0.00 0.00 -1.46 -0.00 -1.98 -1.77 114.38 110.50 2jql h ARG 62 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 2jql h ARG 62 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.35 2jql h ARG 62 CO 0.56 0.06 -0.55 0.77 0.00 0.00 0.00 179.97 180.81 2jql h SER 63 N 0.00 0.00 -2.60 7.04 0.02 -1.98 -3.47 113.55 112.56 2jql h SER 63 Ca -0.00 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 60.29 2jql h SER 63 Cb 0.29 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.91 2jql h SER 63 CO 0.01 0.04 0.57 0.00 -1.14 0.00 0.00 176.83 176.30 2jql h ASP 65 N 4.06 0.59 -3.47 0.00 1.82 0.50 -3.40 116.42 116.51 2jql h ASP 65 Ca -0.45 -0.09 -0.61 0.00 -0.39 0.00 0.00 57.03 55.49 2jql h ASP 65 Cb 1.28 -0.15 -0.37 0.00 0.68 0.00 0.00 39.33 40.77 2jql h ASP 65 CO 0.75 0.51 -0.80 -0.69 -1.61 0.00 0.00 179.24 177.39 2jql s VAL 66 N -5.87 1.60 -0.16 2.25 1.01 0.39 -4.89 120.40 114.72 2jql s VAL 66 Ca -0.13 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.67 2jql s VAL 66 Cb 0.11 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2jql s VAL 66 CO 0.75 0.11 0.30 0.27 0.00 0.00 0.00 175.10 176.52 2jql s ILE 67 N 1.40 5.30 0.59 2.22 -4.36 -1.26 -2.36 121.20 122.73 2jql s ILE 67 Ca -0.02 0.56 -0.03 0.00 -0.26 0.00 0.00 60.65 60.90 2jql s ILE 67 Cb -0.17 -3.64 0.12 0.00 1.25 0.00 0.00 42.46 40.03 2jql s ILE 67 CO -0.08 0.38 0.80 0.18 0.24 0.00 0.00 174.94 176.47 2jql n LEU 68 N 3.59 0.00 -2.91 0.37 4.77 -1.00 -4.97 117.00 116.84 2jql n LEU 68 Ca -0.12 -1.43 -0.27 0.00 -0.03 0.00 0.00 56.01 54.16 2jql n LEU 68 Cb 0.52 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2jql n LEU 68 CO 0.40 -0.95 0.14 -1.20 -1.33 0.00 0.00 177.39 174.45 2jql n SER 69 N -3.12 4.40 -3.97 -1.43 7.64 -1.26 -4.94 113.62 110.94 2jql n SER 69 Ca 0.12 -3.67 -0.28 0.00 1.01 0.00 0.00 58.87 56.05 2jql n SER 69 Cb 0.43 -0.55 -0.17 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.45 1.89 0.64 1.43 2.12 -1.26 -5.01 118.70 115.06 2jql s GLU 70 Ca 0.49 -0.41 0.31 0.00 0.36 0.00 0.00 54.97 55.72 2jql s GLU 70 Cb 0.29 -1.79 1.70 0.00 0.26 0.00 0.00 34.13 34.59 2jql s GLU 70 CO -0.14 -0.21 2.00 -1.35 -0.54 0.00 0.00 175.26 175.01 2jql h PRO 71 N 7.96 0.00 -0.35 4.30 0.11 -2.04 -0.50 132.00 141.48 2jql h PRO 71 Ca -0.33 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.51 2jql h PRO 71 Cb 1.14 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.01 2jql h PRO 71 CO 0.46 0.00 -0.72 -0.25 -0.21 0.00 0.00 178.00 177.28 2jql n ASP 72 N -3.19 3.02 -4.72 -2.05 8.00 -1.26 -5.05 116.55 111.29 2jql n ASP 72 Ca 0.00 -3.56 -0.42 0.00 0.71 0.00 0.00 54.79 51.53 2jql n ASP 72 Cb 0.38 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.62 4.26 0.21 0.53 1.10 -0.20 -4.98 121.20 118.50 2jql s ILE 73 Ca 0.42 1.73 -0.31 0.00 -0.51 0.00 0.00 60.65 61.98 2jql s ILE 73 Cb 0.38 -4.11 -0.11 0.00 0.15 0.00 0.00 42.46 38.78 2jql s ILE 73 CO -0.03 0.19 1.60 -0.44 -2.11 0.00 0.00 174.94 174.16 2jql s SER 74 N 0.60 6.49 0.10 4.50 0.01 -1.26 -4.50 113.70 119.64 2jql s SER 74 Ca 0.53 2.76 -0.16 0.00 1.31 0.00 0.00 55.95 60.40 2jql s SER 74 Cb -0.27 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.29 2jql s SER 74 CO 0.30 -0.87 1.49 0.74 0.41 0.00 0.00 173.24 175.31 2jql h THR 75 N 3.77 1.28 -0.56 1.44 2.02 -1.92 -2.93 112.91 116.00 2jql h THR 75 Ca -0.44 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2jql h THR 75 Cb 1.21 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2jql h THR 75 CO 0.89 0.38 0.00 0.49 0.37 0.00 0.00 175.52 177.64 2jql n PHE 76 N -4.43 1.17 0.00 3.16 3.01 -1.26 -4.19 117.46 114.91 2jql n PHE 76 Ca -0.03 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.95 2jql n PHE 76 Cb 0.34 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jql n HIS 77 N 1.00 0.00 -3.60 1.38 -0.00 -1.11 -4.56 115.22 108.33 2jql n HIS 77 Ca 0.21 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.30 2jql n HIS 77 Cb 0.72 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.56 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 -1.63 -1.42 -0.07 1.57 0.00 -1.16 -3.89 121.76 115.17 2jql s ALA 78 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.14 2jql s ALA 78 Cb 0.00 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2jql s ALA 78 CO 0.00 -0.88 -0.15 -1.21 0.00 0.00 0.00 175.76 173.52 2jql s GLU 79 N -3.82 1.94 -0.09 0.00 8.01 -0.49 -1.19 118.70 123.06 2jql s GLU 79 Ca 0.05 -0.54 0.04 0.00 0.01 0.00 0.00 54.97 54.53 2jql s GLU 79 Cb -0.03 -1.59 -0.00 0.00 -4.31 0.00 0.00 34.13 28.20 2jql s GLU 79 CO -0.05 0.11 -0.23 -0.06 0.01 0.00 0.00 175.26 175.04 2jql s PHE 80 N 0.45 2.56 -0.33 1.61 0.40 0.12 -0.17 117.98 122.62 2jql s PHE 80 Ca -0.13 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.10 2jql s PHE 80 Cb -0.15 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 2jql s PHE 80 CO 0.04 -0.35 0.45 -1.01 0.70 0.00 0.00 175.22 175.05 2jql s HIS 81 N 0.23 3.21 -0.36 0.36 3.76 -0.28 0.21 115.29 122.41 2jql s HIS 81 Ca -0.15 0.20 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 2jql s HIS 81 Cb -0.17 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.77 2jql s HIS 81 CO 0.07 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.52 2jql s LEU 82 N 2.24 4.60 -0.02 0.89 0.20 -0.62 -1.76 118.68 124.20 2jql s LEU 82 Ca 0.17 -1.11 0.07 0.00 0.69 0.00 0.00 54.13 53.94 2jql s LEU 82 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2jql s LEU 82 CO 0.12 -0.38 -0.23 -0.76 -0.29 0.00 0.00 176.35 174.81 2jql s LEU 83 N 1.48 2.04 -0.07 -0.68 1.43 -1.18 -1.97 118.68 119.73 2jql s LEU 83 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2jql s LEU 83 Cb -0.20 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2jql s LEU 83 CO 0.05 0.28 -0.11 0.00 0.23 0.00 0.00 176.35 176.79 2jql s GLN 84 N -0.50 1.64 -0.08 1.70 -2.07 -1.26 -2.95 119.66 116.13 2jql s GLN 84 Ca 0.08 -0.38 -0.05 0.00 -1.82 0.00 0.00 55.36 53.19 2jql s GLN 84 Cb -0.09 -1.40 0.04 0.00 -1.09 0.00 0.00 33.01 30.46 2jql s GLN 84 CO -0.00 -0.01 0.20 1.41 -1.32 0.00 0.00 175.29 175.56 2jql s MET 85 N 0.79 0.17 -0.10 9.60 1.75 -1.04 -5.03 119.30 125.45 2jql s MET 85 Ca -0.12 0.42 -0.02 0.00 -1.25 0.00 0.00 55.69 54.71 2jql s MET 85 Cb -0.15 -0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.40 2jql s MET 85 CO 0.02 -0.13 -0.00 0.16 -0.65 0.00 0.00 175.02 174.42 2jql s ASP 86 N 0.95 5.19 -0.00 1.11 -4.77 -1.26 -1.59 116.67 116.30 2jql s ASP 86 Ca -0.07 0.11 -0.00 0.00 -3.30 0.00 0.00 52.55 49.29 2jql s ASP 86 Cb -0.09 -1.53 0.01 0.00 -1.09 0.00 0.00 42.92 40.23 2jql s ASP 86 CO -0.06 0.34 0.01 0.54 0.70 0.00 0.00 175.17 176.71 2jql s VAL 87 N -0.67 -0.01 0.00 2.11 0.11 -1.05 -4.95 120.40 115.94 2jql s VAL 87 Ca 0.11 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2jql s VAL 87 Cb -0.12 -0.03 0.00 0.00 -1.53 0.00 0.00 36.38 34.71 2jql s VAL 87 CO 0.02 0.02 0.00 0.47 -3.33 0.00 0.00 175.10 172.28 2jql n ASP 88 N 3.32 0.00 0.00 3.54 8.00 -1.26 -2.27 116.55 127.89 2jql n ASP 88 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2jql n ASP 88 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 1.59 0.00 -3.69 -2.24 2.85 -1.26 -5.15 115.26 107.35 2jql n ASN 89 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 2jql n ASN 89 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 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 -0.63 -0.07 1.20 0.08 -0.96 -5.14 117.98 112.46 2jql s PHE 90 Ca 0.00 1.34 -0.27 0.00 0.12 0.00 0.00 56.93 58.12 2jql s PHE 90 Cb 0.00 0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.71 2jql s PHE 90 CO 0.00 -0.35 0.87 -0.65 -0.10 0.00 0.00 175.22 174.99 2jql s GLN 91 N 1.29 4.45 -0.28 0.44 -0.21 -1.26 -2.53 119.66 121.56 2jql s GLN 91 Ca -0.09 1.17 -0.01 0.00 0.02 0.00 0.00 55.36 56.45 2jql s GLN 91 Cb -0.08 -3.49 0.05 0.00 1.00 0.00 0.00 33.01 30.49 2jql s GLN 91 CO -0.12 -0.11 -0.03 0.50 -2.12 0.00 0.00 175.29 173.41 2jql s ARG 92 N 1.33 2.47 -0.18 2.91 3.52 -0.62 -5.00 118.95 123.38 2jql s ARG 92 Ca 0.44 -1.23 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 2jql s ARG 92 Cb -0.19 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2jql s ARG 92 CO 0.20 -0.57 -0.08 -0.80 -0.81 0.00 0.00 175.30 173.24 2jql s ASN 93 N 1.24 4.20 -0.02 -2.12 0.01 -1.26 -2.51 114.94 114.47 2jql s ASN 93 Ca -0.05 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 2jql s ASN 93 Cb -0.19 -1.68 -0.00 0.00 0.41 0.00 0.00 41.25 39.78 2jql s ASN 93 CO -0.02 0.07 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.78 2jql s LEU 94 N 0.91 1.87 -0.04 0.60 1.02 -1.15 -4.99 118.68 116.89 2jql s LEU 94 Ca -0.02 -0.19 0.06 0.00 0.02 0.00 0.00 54.13 54.00 2jql s LEU 94 Cb -0.15 -0.56 -0.02 0.00 0.02 0.00 0.00 46.19 45.49 2jql s LEU 94 CO 0.00 0.09 -0.23 -0.63 0.02 0.00 0.00 176.35 175.60 2jql s ILE 95 N 0.04 2.25 0.02 -0.59 1.09 -1.13 -3.08 121.20 119.80 2jql s ILE 95 Ca -0.01 -1.01 0.06 0.00 -1.10 0.00 0.00 60.65 58.58 2jql s ILE 95 Cb -0.07 -1.82 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 2jql s ILE 95 CO 0.00 0.58 -0.15 0.21 -0.10 0.00 0.00 174.94 175.48 2jql s ASN 96 N -0.41 4.03 -0.12 3.58 3.84 -0.72 0.59 114.94 125.73 2jql s ASN 96 Ca 0.04 -0.32 -0.03 0.00 0.21 0.00 0.00 52.86 52.76 2jql s ASN 96 Cb -0.12 -0.76 -0.03 0.00 -0.55 0.00 0.00 41.25 39.79 2jql s ASN 96 CO 0.01 0.28 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.90 2jql s VAL 97 N -0.91 4.21 -0.12 -5.21 1.01 0.17 -1.12 120.40 118.43 2jql s VAL 97 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2jql s VAL 97 Cb -0.11 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2jql s VAL 97 CO 0.05 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 174.96 2jql s ILE 98 N -0.27 1.24 -0.09 2.22 -1.09 0.76 -2.98 121.20 120.98 2jql s ILE 98 Ca 0.06 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2jql s ILE 98 Cb -0.12 -1.20 -0.03 0.00 -1.58 0.00 0.00 42.46 39.52 2jql s ILE 98 CO 0.02 0.40 0.00 1.51 -1.23 0.00 0.00 174.94 175.65 2jql s ASP 99 N 1.53 5.25 -0.25 3.58 1.47 -1.26 -1.40 116.67 125.59 2jql s ASP 99 Ca 0.03 0.13 0.05 0.00 1.18 0.00 0.00 52.55 53.94 2jql s ASP 99 Cb -0.13 -1.52 0.17 0.00 -0.34 0.00 0.00 42.92 41.10 2jql s ASP 99 CO -0.08 0.36 1.06 2.29 0.68 0.00 0.00 175.17 179.47 2jql n LYS 100 N 2.28 0.55 -3.76 2.11 2.85 -1.26 -5.03 118.16 115.90 2jql n LYS 100 Ca -0.18 -0.80 -0.21 0.00 -1.05 0.00 0.00 58.31 56.06 2jql n LYS 100 Cb 0.54 0.08 -0.04 0.00 -0.65 0.00 0.00 35.03 34.95 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 -0.60 2.92 -0.06 -5.58 7.64 -1.25 -4.91 113.62 111.78 2jql n SER 101 Ca -0.14 -2.46 -0.06 0.00 1.01 0.00 0.00 58.87 57.22 2jql n SER 101 Cb 0.69 0.24 -0.09 0.00 -1.01 0.00 0.00 64.21 64.04 2jql n SER 101 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jql n ARG 102 N -0.83 2.15 0.00 1.43 1.85 -1.26 -4.78 116.66 115.22 2jql n ARG 102 Ca -0.14 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 2jql n ARG 102 Cb 0.42 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jql n ASN 103 N -2.42 0.00 0.00 2.89 4.13 -1.26 -5.03 115.26 113.57 2jql n ASN 103 Ca -0.18 0.74 0.00 0.00 1.68 0.00 0.00 54.58 56.82 2jql n ASN 103 Cb 0.86 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 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 -0.77 3.93 2.98 7.41 0.00 -1.26 -5.00 105.19 112.48 2jql n GLY 104 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 1.24 -0.15 2.61 2.01 -1.26 -1.64 115.64 118.45 2jql s THR 105 Ca 0.00 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 2jql s THR 105 Cb 0.00 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 2jql s THR 105 CO 0.00 0.40 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.93 2jql s PHE 106 N 1.31 3.02 -0.04 4.92 0.40 -0.23 -1.80 117.98 125.56 2jql s PHE 106 Ca -0.01 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 2jql s PHE 106 Cb -0.14 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 2jql s PHE 106 CO -0.05 -0.01 -0.21 -1.50 0.70 0.00 0.00 175.22 174.15 2jql s ILE 107 N 0.27 1.73 -1.54 0.64 1.10 0.30 0.60 121.20 124.31 2jql s ILE 107 Ca -0.03 -0.91 -0.05 0.00 -0.51 0.00 0.00 60.65 59.15 2jql s ILE 107 Cb -0.14 -1.46 0.01 0.00 0.15 0.00 0.00 42.46 41.01 2jql s ILE 107 CO 0.03 0.49 0.65 0.59 -2.11 0.00 0.00 174.94 174.59 2jql n ASN 108 N 2.83 -6.16 -0.21 4.50 5.03 0.17 -1.16 115.26 120.27 2jql n ASN 108 Ca -0.17 -0.30 -0.03 0.00 0.87 0.00 0.00 54.58 54.95 2jql n ASN 108 Cb 0.52 -4.96 -0.01 0.00 -1.02 0.00 0.00 39.78 34.32 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 -1.56 0.53 3.12 7.41 0.00 -1.26 -5.00 105.19 108.44 2jql n GLY 109 Ca -0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.29 1.23 0.38 1.61 0.01 -0.31 -5.13 114.94 110.45 2jql s ASN 110 Ca 0.00 -0.65 -0.26 0.00 -0.71 0.00 0.00 52.86 51.24 2jql s ASN 110 Cb 0.00 0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2jql s ASN 110 CO 0.00 -0.19 1.21 0.00 -1.51 0.00 0.00 177.10 176.61 2jql s ARG 111 N -1.99 4.11 -0.10 -0.60 3.03 -1.26 0.11 118.95 122.24 2jql s ARG 111 Ca -0.03 1.96 -0.29 0.00 2.03 0.00 0.00 55.73 59.39 2jql s ARG 111 Cb -0.08 -2.78 -0.04 0.00 -1.03 0.00 0.00 34.95 31.02 2jql s ARG 111 CO 0.01 -0.31 1.46 -0.51 -1.13 0.00 0.00 175.30 174.82 2jql s LEU 112 N -2.32 4.26 0.00 -1.89 1.43 -0.74 -4.76 118.68 114.66 2jql s LEU 112 Ca 0.55 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2jql s LEU 112 Cb -0.34 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2jql s LEU 112 CO 0.43 -0.84 0.00 0.55 0.23 0.00 0.00 176.35 176.72 2jql n VAL 113 N 5.38 0.00 -1.07 -1.59 3.14 -1.26 -4.98 118.33 117.95 2jql n VAL 113 Ca 0.15 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.24 2jql n VAL 113 Cb 0.44 -0.79 0.22 0.00 -1.06 0.00 0.00 33.84 32.65 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 -1.91 -0.77 -0.09 1.45 1.02 -1.26 -5.01 119.74 113.17 2jql s LYS 114 Ca 0.00 0.14 0.09 0.00 0.02 0.00 0.00 55.97 56.22 2jql s LYS 114 Cb 0.00 -1.63 -0.12 0.00 -0.52 0.00 0.00 37.83 35.56 2jql s LYS 114 CO 0.00 -3.45 0.05 1.63 -0.92 0.00 0.00 175.35 172.65 2jql n LYS 115 N -4.62 2.27 -3.69 1.68 4.01 -1.26 -4.72 118.16 111.83 2jql n LYS 115 Ca 0.10 -0.01 -0.29 0.00 -0.51 0.00 0.00 58.31 57.60 2jql n LYS 115 Cb 0.59 -1.25 -0.10 0.00 -0.51 0.00 0.00 35.03 33.76 2jql n LYS 115 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2jql n ASP 116 N -2.32 3.47 -4.77 4.39 5.75 -1.26 -4.49 116.55 117.32 2jql n ASP 116 Ca -0.15 -3.30 -0.39 0.00 -0.01 0.00 0.00 54.79 50.94 2jql n ASP 116 Cb 0.77 -0.76 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jql s TYR 117 N -1.86 3.89 -0.33 2.11 5.04 -1.16 -4.91 117.35 120.13 2jql s TYR 117 Ca 0.31 1.62 -0.14 0.00 -2.44 0.00 0.00 57.07 56.42 2jql s TYR 117 Cb 0.03 -2.78 -0.02 0.00 0.35 0.00 0.00 41.96 39.53 2jql s TYR 117 CO -0.10 0.48 0.30 -1.50 -1.34 0.00 0.00 175.55 173.38 2jql s ILE 118 N -0.97 5.23 -0.17 3.14 1.10 -1.26 -0.65 121.20 127.61 2jql s ILE 118 Ca 0.36 0.02 -0.07 0.00 -0.51 0.00 0.00 60.65 60.45 2jql s ILE 118 Cb -0.23 -3.73 -0.04 0.00 0.15 0.00 0.00 42.46 38.61 2jql s ILE 118 CO 0.26 0.01 0.07 -0.22 -2.11 0.00 0.00 174.94 172.95 2jql s LEU 119 N 1.88 3.91 0.44 8.50 0.20 0.20 -4.98 118.68 128.84 2jql s LEU 119 Ca 0.09 0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.09 2jql s LEU 119 Cb -0.17 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2jql s LEU 119 CO 0.11 0.21 0.09 -0.75 -0.29 0.00 0.00 176.35 175.72 2jql s LYS 120 N 0.14 2.01 0.40 1.98 2.20 -1.26 -2.83 119.74 122.38 2jql s LYS 120 Ca 0.06 -2.24 -0.27 0.00 -0.36 0.00 0.00 55.97 53.15 2jql s LYS 120 Cb -0.12 -0.89 -0.10 0.00 -1.51 0.00 0.00 37.83 35.21 2jql s LYS 120 CO 0.00 -0.44 1.44 0.54 -0.36 0.00 0.00 175.35 176.53 2jql s ASN 121 N -3.69 6.19 -0.59 1.43 4.22 -1.26 -3.46 114.94 117.78 2jql s ASN 121 Ca 0.19 2.95 -0.00 0.00 -2.14 0.00 0.00 52.86 53.85 2jql s ASN 121 Cb 0.02 -2.66 -0.01 0.00 1.28 0.00 0.00 41.25 39.89 2jql s ASN 121 CO 0.11 -0.96 0.50 0.61 -2.04 0.00 0.00 177.10 175.31 2jql n GLY 122 N 0.54 0.01 3.15 0.45 0.00 0.11 -4.98 105.19 104.47 2jql n GLY 122 Ca 0.03 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.61 2.85 -0.04 1.61 1.11 -1.15 -4.95 116.67 112.49 2jql s ASP 123 Ca 0.03 -0.53 -0.29 0.00 0.18 0.00 0.00 52.55 51.95 2jql s ASP 123 Cb -0.00 -1.31 -0.03 0.00 1.07 0.00 0.00 42.92 42.65 2jql s ASP 123 CO 0.37 0.09 0.95 -0.13 1.18 0.00 0.00 175.17 177.62 2jql s ARG 124 N 0.68 4.50 -0.02 8.23 0.52 -1.26 -1.75 118.95 129.84 2jql s ARG 124 Ca -0.12 1.33 0.05 0.00 -0.52 0.00 0.00 55.73 56.47 2jql s ARG 124 Cb -0.16 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.82 2jql s ARG 124 CO 0.02 -0.11 -0.16 0.42 0.02 0.00 0.00 175.30 175.49 2jql s ILE 125 N 1.28 1.31 -0.06 1.52 1.09 0.17 -0.66 121.20 125.85 2jql s ILE 125 Ca 0.49 -0.68 0.05 0.00 -1.10 0.00 0.00 60.65 59.40 2jql s ILE 125 Cb -0.20 -1.10 -0.00 0.00 -1.06 0.00 0.00 42.46 40.10 2jql s ILE 125 CO 0.24 0.37 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.56 2jql s VAL 126 N -0.19 1.71 -0.03 2.92 1.01 0.20 0.38 120.40 126.40 2jql s VAL 126 Ca 0.02 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2jql s VAL 126 Cb -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2jql s VAL 126 CO 0.00 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 175.01 2jql s PHE 127 N 0.08 1.97 0.00 5.22 0.40 0.31 -1.07 117.98 124.88 2jql s PHE 127 Ca -0.07 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2jql s PHE 127 Cb -0.14 -1.28 0.00 0.00 0.51 0.00 0.00 43.02 42.11 2jql s PHE 127 CO 0.04 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.28 2jql n GLY 128 N 2.73 1.81 0.00 4.36 0.00 -0.65 -2.69 105.19 110.74 2jql n GLY 128 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 1.61 2.85 -1.26 -4.59 118.16 116.72 2jql n LYS 129 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 2jql n LYS 129 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2jql n LYS 129 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jql n SER 130 N 0.00 3.20 -4.53 -5.58 7.64 -1.24 -4.96 113.62 108.14 2jql n SER 130 Ca 0.00 -0.05 -0.44 0.00 1.01 0.00 0.00 58.87 59.39 2jql n SER 130 Cb 0.00 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 2jql n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jql s SER 132 N 9.05 2.49 0.04 0.00 0.01 -1.26 0.11 113.70 124.15 2jql s SER 132 Ca 1.05 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 2jql s SER 132 Cb -0.51 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 2jql s SER 132 CO 0.38 0.07 0.04 0.72 0.41 0.00 0.00 173.24 174.85 2jql s PHE 133 N 0.69 0.32 -0.05 2.43 -0.12 0.16 0.30 117.98 121.70 2jql s PHE 133 Ca -0.13 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.08 2jql s PHE 133 Cb -0.16 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 2jql s PHE 133 CO 0.03 -0.35 -0.13 -1.17 -0.05 0.00 0.00 175.22 173.55 2jql s LEU 134 N -2.32 2.82 -0.08 -1.99 2.96 0.10 0.47 118.68 120.64 2jql s LEU 134 Ca -0.02 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2jql s LEU 134 Cb 0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2jql s LEU 134 CO -0.06 0.35 0.11 0.12 -1.32 0.00 0.00 176.35 175.54 2jql s PHE 135 N -0.75 3.45 -0.00 5.38 5.36 -0.72 -1.99 117.98 128.71 2jql s PHE 135 Ca 0.12 0.38 -0.21 0.00 -0.96 0.00 0.00 56.93 56.26 2jql s PHE 135 Cb -0.11 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.76 2jql s PHE 135 CO 0.01 0.64 0.47 0.15 -1.46 0.00 0.00 175.22 175.03 2jql s LYS 136 N -1.24 0.89 0.19 10.12 1.02 -1.14 0.08 119.74 129.66 2jql s LYS 136 Ca 0.18 -0.11 -0.27 0.00 0.02 0.00 0.00 55.97 55.79 2jql s LYS 136 Cb -0.12 0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 37.51 2jql s LYS 136 CO 0.07 -0.28 0.83 0.71 -0.92 0.00 0.00 175.35 175.76 2jql s TYR 137 N -1.71 3.93 -0.17 3.18 2.02 -1.26 -1.26 117.35 122.08 2jql s TYR 137 Ca -0.10 1.73 -0.05 0.00 -0.37 0.00 0.00 57.07 58.28 2jql s TYR 137 Cb -0.02 -2.84 -0.03 0.00 -0.40 0.00 0.00 41.96 38.67 2jql s TYR 137 CO 0.04 0.49 0.00 0.00 -1.57 0.00 0.00 175.55 174.51 2jql s ALA 138 N -1.12 3.15 -0.11 3.71 0.00 -0.32 -4.88 121.76 122.19 2jql s ALA 138 Ca 0.38 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 2jql s ALA 138 Cb -0.24 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.22 2jql s ALA 138 CO 0.28 0.16 0.27 -1.12 0.00 0.00 0.00 175.76 175.35 2jql s SER 139 N 0.44 -0.30 -0.16 0.00 0.01 -1.26 -4.65 113.70 107.77 2jql s SER 139 Ca -0.01 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.83 2jql s SER 139 Cb -0.14 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2jql s SER 139 CO 0.02 -0.17 -0.16 -0.44 0.41 0.00 0.00 173.24 172.90 2jql s SER 140 N 1.25 3.53 -0.01 2.44 0.01 -1.26 -5.12 113.70 114.54 2jql s SER 140 Ca -0.09 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 56.72 2jql s SER 140 Cb -0.10 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 2jql s SER 140 CO -0.09 0.05 -0.22 -0.55 0.41 0.00 0.00 173.24 172.85 2jql s SER 141 N 0.99 3.45 0.62 2.44 0.15 -1.26 -5.04 113.70 115.04 2jql s SER 141 Ca -0.02 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2jql s SER 141 Cb -0.15 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2jql s SER 141 CO -0.03 0.31 0.00 -1.20 1.20 0.00 0.00 173.24 173.52 2jql n SER 142 N 2.18 -7.94 -4.65 5.45 7.64 -1.26 -4.69 113.62 110.35 2jql n SER 142 Ca -0.16 1.56 -0.43 0.00 1.01 0.00 0.00 58.87 60.85 2jql n SER 142 Cb 0.52 -4.98 -0.02 0.00 -1.01 0.00 0.00 64.21 58.72 2jql n SER 142 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jql s THR 143 N -4.59 3.90 0.33 0.44 2.01 -1.26 -5.01 115.64 111.46 2jql s THR 143 Ca 0.00 1.07 -0.06 0.00 0.31 0.00 0.00 61.69 63.01 2jql s THR 143 Cb 0.00 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.83 2jql s THR 143 CO 0.00 -0.17 0.39 -0.67 -0.69 0.00 0.00 174.62 173.48 2jql n ASP 144 N 7.25 -0.42 -1.76 3.53 2.03 -1.26 -4.97 116.55 120.96 2jql n ASP 144 Ca 0.16 -1.00 -0.05 0.00 0.52 0.00 0.00 54.79 54.41 2jql n ASP 144 Cb 0.44 -0.31 0.27 0.00 -0.72 0.00 0.00 41.12 40.80 2jql n ASP 144 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jql n ILE 145 N -2.79 2.83 -2.29 5.18 5.41 -1.26 -4.97 119.36 121.47 2jql n ILE 145 Ca 0.05 -1.86 -0.27 0.00 1.00 0.00 0.00 62.75 61.67 2jql n ILE 145 Cb 0.18 -0.35 0.17 0.00 -0.71 0.00 0.00 39.64 38.93 2jql n ILE 145 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2jql s GLU 146 N -3.04 0.92 0.24 0.38 2.02 -1.26 -5.01 118.70 112.94 2jql s GLU 146 Ca 0.52 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2jql s GLU 146 Cb 0.43 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 32.47 2jql s GLU 146 CO 0.11 -2.09 1.53 0.54 0.02 0.00 0.00 175.26 175.37 2jql s ASN 147 N -4.89 6.54 -0.05 -0.19 4.22 -1.26 -4.92 114.94 114.39 2jql s ASN 147 Ca 0.73 2.75 0.09 0.00 -2.14 0.00 0.00 52.86 54.29 2jql s ASN 147 Cb -0.03 -2.62 -0.24 0.00 1.28 0.00 0.00 41.25 39.65 2jql s ASN 147 CO 0.50 -0.81 0.65 -0.78 -2.04 0.00 0.00 177.10 174.62 2jql h ASP 148 N 5.49 0.07 -4.49 3.54 1.82 -1.97 -3.51 116.42 117.37 2jql h ASP 148 Ca -0.45 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.04 2jql h ASP 148 Cb 1.21 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2jql h ASP 148 CO 0.82 1.13 -0.91 -0.67 -1.61 0.00 0.00 179.24 178.01 2jql n ASP 149 N -3.13 -8.86 -4.16 2.28 2.03 -1.26 -5.08 116.55 98.37 2jql n ASP 149 Ca -0.18 1.53 -0.10 0.00 0.52 0.00 0.00 54.79 56.56 2jql n ASP 149 Cb 1.05 -4.90 -0.10 0.00 -0.72 0.00 0.00 41.12 36.45 2jql n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jql s GLU 150 N -0.74 0.93 0.12 -0.67 2.56 -1.26 -5.17 118.70 114.46 2jql s GLU 150 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 54.97 53.28 2jql s GLU 150 Cb 0.00 0.10 0.08 0.00 2.00 0.00 0.00 34.13 36.30 2jql s GLU 150 CO 0.00 -0.20 1.02 -1.59 -0.56 0.00 0.00 175.26 173.93 2jql s LYS 151 N -3.99 1.04 -0.33 4.30 -2.85 -1.26 -5.08 119.74 111.56 2jql s LYS 151 Ca 0.21 -0.57 -0.05 0.00 -1.00 0.00 0.00 55.97 54.57 2jql s LYS 151 Cb 0.07 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 2jql s LYS 151 CO 0.01 -0.47 0.17 0.28 0.10 0.00 0.00 175.35 175.43 2jql n VAL 152 N -0.47-11.51 -3.96 1.79 0.31 -1.26 -5.00 118.33 98.24 2jql n VAL 152 Ca -0.07 1.53 -0.30 0.00 -0.01 0.00 0.00 64.34 65.49 2jql n VAL 152 Cb 0.61 -6.96 -0.14 0.00 -0.91 0.00 0.00 33.84 26.43 2jql n VAL 152 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2jql s SER 153 N -1.87 4.44 -0.18 4.52 0.01 -1.26 -5.06 113.70 114.29 2jql s SER 153 Ca 0.07 -2.79 -0.14 0.00 1.31 0.00 0.00 55.95 54.40 2jql s SER 153 Cb -0.02 -1.64 0.05 0.00 0.21 0.00 0.00 66.02 64.62 2jql s SER 153 CO 0.76 -0.27 0.47 -0.94 0.41 0.00 0.00 173.24 173.67 2jql s SER 154 N 0.03 -0.55 1.10 2.44 1.04 -1.26 -5.17 113.70 111.33 2jql s SER 154 Ca 0.15 0.99 -0.15 0.00 0.48 0.00 0.00 55.95 57.42 2jql s SER 154 Cb -0.24 0.93 0.21 0.00 0.10 0.00 0.00 66.02 67.02 2jql s SER 154 CO -0.02 -0.18 0.97 -0.62 0.98 0.00 0.00 173.24 174.36 2jql n GLU 155 N 3.55 -1.89 -4.53 4.02 1.02 -1.26 -5.08 120.64 116.47 2jql n GLU 155 Ca -0.18 -1.52 -0.30 0.00 -0.02 0.00 0.00 57.16 55.14 2jql n GLU 155 Cb 0.56 -1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 30.66 2jql n GLU 155 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jql s SER 156 N -4.37 3.84 -1.68 1.62 0.15 -1.26 -4.62 113.70 107.38 2jql s SER 156 Ca 0.59 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 2jql s SER 156 Cb -0.04 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2jql s SER 156 CO 0.43 0.23 0.19 0.54 1.20 0.00 0.00 173.24 175.83 2jql n ARG 157 N 1.29 -2.63 -3.98 5.44 5.12 -1.26 -4.98 116.66 115.66 2jql n ARG 157 Ca -0.16 0.96 -0.09 0.00 -1.93 0.00 0.00 57.85 56.63 2jql n ARG 157 Cb 0.52 -5.65 -0.10 0.00 -1.16 0.00 0.00 32.46 26.07 2jql n ARG 157 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jql s SER 158 N -2.28 0.26 0.00 0.55 0.15 -1.26 -5.35 113.70 105.77 2jql s SER 158 Ca 0.09 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2jql s SER 158 Cb -0.04 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2jql s SER 158 CO 0.12 -0.44 0.00 0.00 1.20 0.00 0.00 173.24 174.11