#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 2.75 -0.15 1.64 1.81 -1.26 -5.06 118.95 118.68 2jql s ARG 20 Ca 0.00 -1.59 -0.02 0.00 -1.72 0.00 0.00 55.73 52.40 2jql s ARG 20 Cb 0.00 -4.04 -0.02 0.00 -0.45 0.00 0.00 34.95 30.45 2jql s ARG 20 CO 0.00 -1.14 -0.08 -0.65 -0.68 0.00 0.00 175.30 172.75 2jql s GLN 21 N 1.50 3.49 -0.46 3.54 -0.21 -1.26 -5.00 119.66 121.27 2jql s GLN 21 Ca 0.04 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 54.84 2jql s GLN 21 Cb -0.26 -2.80 0.61 0.00 1.00 0.00 0.00 33.01 31.56 2jql s GLN 21 CO 0.02 0.16 1.90 0.94 -2.12 0.00 0.00 175.29 176.20 2jql n GLN 22 N 3.72 2.25 -3.63 2.91 0.00 -1.26 -4.89 117.38 116.48 2jql n GLN 22 Ca -0.18 -2.91 -0.11 0.00 -0.00 0.00 0.00 57.00 53.80 2jql n GLN 22 Cb 0.52 -2.14 -0.07 0.00 0.00 0.00 0.00 30.24 28.55 2jql n GLN 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jql s ARG 23 N -3.21 0.71 0.31 3.69 1.81 -1.26 -5.18 118.95 115.81 2jql s ARG 23 Ca 0.55 0.91 0.01 0.00 -1.72 0.00 0.00 55.73 55.48 2jql s ARG 23 Cb 0.46 0.32 -0.02 0.00 -0.45 0.00 0.00 34.95 35.26 2jql s ARG 23 CO 0.09 -0.09 0.33 -1.54 -0.68 0.00 0.00 175.30 173.41 2jql s SER 24 N 0.54 1.01 0.00 0.23 1.04 -1.26 -5.08 113.70 110.17 2jql s SER 24 Ca -0.01 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.88 2jql s SER 24 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2jql s SER 24 CO -0.04 -1.11 0.00 0.59 0.98 0.00 0.00 173.24 173.66 2jql n ASN 25 N -1.18 0.00 -4.18 7.02 3.02 -1.26 -5.13 115.26 113.54 2jql n ASN 25 Ca 0.04 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.40 2jql n ASN 25 Cb 0.63 0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.81 2jql n ASN 25 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jql s LYS 26 N -1.74 0.86 0.86 3.52 3.01 -1.26 -5.14 119.74 119.84 2jql s LYS 26 Ca 0.00 -1.01 -0.13 0.00 -1.01 0.00 0.00 55.97 53.83 2jql s LYS 26 Cb 0.00 -0.84 0.08 0.00 -1.01 0.00 0.00 37.83 36.06 2jql s LYS 26 CO 0.00 0.18 0.99 -2.30 0.51 0.00 0.00 175.35 174.73 2jql n PRO 27 N 1.15 -0.07 0.01 -1.68 -0.02 -1.26 -5.00 135.00 128.13 2jql n PRO 27 Ca -0.20 0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 2jql n PRO 27 Cb 0.55 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.95 1.16 -3.67 2.55 7.64 -1.26 -5.11 113.62 111.97 2jql n SER 28 Ca 0.12 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 2jql n SER 28 Cb 0.51 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 2jql n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jql s SER 29 N -5.91 -0.31 1.13 6.43 0.01 -1.26 -5.17 113.70 108.63 2jql s SER 29 Ca -0.07 0.12 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 2jql s SER 29 Cb 0.01 0.41 0.27 0.00 0.21 0.00 0.00 66.02 66.92 2jql s SER 29 CO 0.10 -0.59 1.21 -1.61 0.41 0.00 0.00 173.24 172.76 2jql s GLU 30 N -1.95 -0.71 0.00 12.44 2.02 -1.26 -5.06 118.70 124.17 2jql s GLU 30 Ca -0.09 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2jql s GLU 30 Cb -0.02 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.53 2jql s GLU 30 CO 0.01 -3.33 0.00 0.66 0.02 0.00 0.00 175.26 172.62 2jql n TYR 31 N -4.44 0.00 -3.75 1.61 4.02 -1.26 -5.00 117.16 108.34 2jql n TYR 31 Ca 0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.89 2jql n TYR 31 Cb 0.60 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.76 2jql n TYR 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2jql s THR 32 N 0.00 -0.07 0.00 -0.72 -4.23 -1.26 -4.99 115.64 104.38 2jql s THR 32 Ca 0.00 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.45 2jql s THR 32 Cb 0.00 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.69 2jql s THR 32 CO 0.00 0.10 1.13 0.00 -0.54 0.00 0.00 174.62 175.31 2jql n LEU 34 N 4.34 0.00 -4.52 0.00 0.00 -1.22 -5.02 117.00 110.59 2jql n LEU 34 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.85 2jql n LEU 34 Cb 0.48 0.06 -0.10 0.00 0.00 0.00 0.00 43.42 43.86 2jql n LEU 34 CO 0.54 -0.24 -0.25 -0.83 0.00 0.00 0.00 177.39 176.62 2jql s GLY 35 N -3.34 2.36 0.13 -3.96 0.00 -1.16 -0.41 107.32 100.93 2jql s GLY 35 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 44.72 42.97 2jql s GLY 35 CO 0.00 -1.89 0.19 0.30 0.00 0.00 0.00 173.10 171.70 2jql s HIS 36 N -3.17 0.41 -0.11 1.90 3.76 -1.00 -0.25 115.29 116.83 2jql s HIS 36 Ca 0.30 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 2jql s HIS 36 Cb 0.06 -0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.61 2jql s HIS 36 CO 0.14 -0.60 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.76 2jql s LEU 37 N -2.94 1.78 -0.21 0.89 1.43 0.28 -3.06 118.68 116.84 2jql s LEU 37 Ca 0.14 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2jql s LEU 37 Cb 0.05 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 2jql s LEU 37 CO -0.04 0.04 -0.00 -0.69 0.23 0.00 0.00 176.35 175.88 2jql s VAL 38 N 0.88 3.88 -0.25 -1.59 1.01 -0.33 0.10 120.40 124.10 2jql s VAL 38 Ca -0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2jql s VAL 38 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2jql s VAL 38 CO -0.00 0.42 0.62 0.20 0.00 0.00 0.00 175.10 176.34 2jql s ASN 39 N 1.12 6.57 -0.52 3.32 0.01 0.10 0.76 114.94 126.30 2jql s ASN 39 Ca 0.02 0.70 -0.24 0.00 -0.71 0.00 0.00 52.86 52.63 2jql s ASN 39 Cb -0.14 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.22 2jql s ASN 39 CO 0.01 -0.36 0.92 -0.76 -1.51 0.00 0.00 177.10 175.40 2jql s LEU 40 N 2.45 4.12 0.00 0.60 1.02 0.31 -3.02 118.68 124.17 2jql s LEU 40 Ca 0.26 -0.26 0.07 0.00 0.02 0.00 0.00 54.13 54.22 2jql s LEU 40 Cb -0.16 -2.90 -0.02 0.00 0.02 0.00 0.00 46.19 43.14 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 3.82 1.65 -1.61 -0.59 -1.09 -1.02 -4.37 121.20 117.98 2jql s ILE 41 Ca 0.31 -0.97 0.17 0.00 -2.23 0.00 0.00 60.65 57.93 2jql s ILE 41 Cb -0.12 -1.39 0.36 0.00 -1.58 0.00 0.00 42.46 39.73 2jql s ILE 41 CO 0.21 0.40 1.47 -0.81 -1.23 0.00 0.00 174.94 174.97 2jql n PRO 42 N 2.37 0.34 0.00 2.79 -0.04 -1.26 -2.51 135.00 136.69 2jql n PRO 42 Ca -0.16 0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2jql n PRO 42 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.12 0.38 0.00 0.55 0.00 -1.26 -5.10 105.19 99.88 2jql n GLY 43 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jql n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jql n LYS 44 N -1.03 -2.39 -4.01 1.61 2.85 -1.04 -5.16 118.16 108.99 2jql n LYS 44 Ca 0.01 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.12 2jql n LYS 44 Cb 0.09 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.32 2jql n LYS 44 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2jql s GLU 45 N -1.37 0.29 -0.05 -1.58 2.12 -1.26 -2.42 118.70 114.42 2jql s GLU 45 Ca 0.00 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.34 2jql s GLU 45 Cb 0.00 -0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.04 2jql s GLU 45 CO 0.00 -0.01 -0.24 -1.14 -0.54 0.00 0.00 175.26 173.34 2jql s GLN 46 N 0.33 2.39 -0.13 4.30 0.74 -1.17 -4.97 119.66 121.16 2jql s GLN 46 Ca -0.03 -0.86 -0.00 0.00 0.05 0.00 0.00 55.36 54.51 2jql s GLN 46 Cb -0.06 -2.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 2jql s GLN 46 CO -0.01 0.37 -0.11 0.21 -0.55 0.00 0.00 175.29 175.20 2jql s LYS 47 N -0.17 3.36 0.12 1.67 2.20 -1.26 0.02 119.74 125.68 2jql s LYS 47 Ca -0.03 -0.65 0.11 0.00 -0.36 0.00 0.00 55.97 55.04 2jql s LYS 47 Cb -0.13 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 2jql s LYS 47 CO 0.03 0.26 -0.26 0.08 -0.36 0.00 0.00 175.35 175.10 2jql s VAL 48 N 0.24 2.20 -0.17 4.02 1.01 0.28 -4.93 120.40 123.04 2jql s VAL 48 Ca -0.08 -1.72 -0.08 0.00 0.00 0.00 0.00 61.98 60.10 2jql s VAL 48 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2jql s VAL 48 CO 0.05 0.09 0.10 -1.83 0.00 0.00 0.00 175.10 173.50 2jql s GLU 49 N -2.01 3.91 -0.11 2.72 -1.05 -1.26 0.99 118.70 121.89 2jql s GLU 49 Ca 0.13 -0.26 0.02 0.00 -0.15 0.00 0.00 54.97 54.71 2jql s GLU 49 Cb -0.10 -3.27 -0.01 0.00 -0.44 0.00 0.00 34.13 30.31 2jql s GLU 49 CO 0.06 0.40 -0.16 -1.50 0.95 0.00 0.00 175.26 175.01 2jql s ILE 50 N 0.04 2.84 0.39 1.83 2.07 0.65 -4.91 121.20 124.11 2jql s ILE 50 Ca 0.08 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 58.64 2jql s ILE 50 Cb -0.12 -2.16 0.00 0.00 0.13 0.00 0.00 42.46 40.32 2jql s ILE 50 CO 0.00 0.54 0.53 0.42 -1.91 0.00 0.00 174.94 174.53 2jql s THR 51 N 0.13 3.44 -1.57 4.00 -4.23 -1.26 -3.00 115.64 113.14 2jql s THR 51 Ca -0.08 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 2jql s THR 51 Cb -0.15 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2jql s THR 51 CO 0.05 -0.07 2.77 0.59 -0.54 0.00 0.00 174.62 177.43 2jql n ASN 52 N -1.78 7.76 -0.01 3.99 3.02 -1.11 -4.58 115.26 122.55 2jql n ASN 52 Ca 0.05 -2.67 0.14 0.00 -0.03 0.00 0.00 54.58 52.06 2jql n ASN 52 Cb 0.59 -1.56 0.81 0.00 -0.61 0.00 0.00 39.78 39.00 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jql n ARG 53 N 3.91 1.01 0.00 3.52 0.63 -1.26 -4.87 116.66 119.60 2jql n ARG 53 Ca 0.72 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 2jql n ARG 53 Cb 0.26 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.75 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 -0.91 0.00 -3.92 6.15 2.85 -0.82 -4.79 115.26 113.82 2jql n ASN 54 Ca 0.20 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.53 2jql n ASN 54 Cb 0.10 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.97 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jql s VAL 55 N 0.00 0.27 -0.11 3.44 1.01 -1.26 -1.67 120.40 122.08 2jql s VAL 55 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2jql s VAL 55 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2jql s VAL 55 CO 0.00 0.09 -0.15 -0.89 0.00 0.00 0.00 175.10 174.14 2jql s THR 56 N 0.01 1.50 -0.26 3.92 2.01 0.52 -4.87 115.64 118.47 2jql s THR 56 Ca 0.00 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 2jql s THR 56 Cb -0.02 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jql s THR 56 CO -0.00 0.44 0.11 0.42 -0.69 0.00 0.00 174.62 174.90 2jql s THR 57 N 1.01 4.69 -0.22 -0.82 -4.23 -1.26 -0.22 115.64 114.59 2jql s THR 57 Ca -0.06 -0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 2jql s THR 57 Cb -0.15 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.46 2jql s THR 57 CO -0.02 0.31 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.74 2jql s ILE 58 N 1.62 3.81 -1.64 2.99 1.01 -0.69 0.15 121.20 128.44 2jql s ILE 58 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2jql s ILE 58 Cb -0.15 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2jql s ILE 58 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2jql n GLY 59 N 4.57 -0.63 0.08 6.18 0.00 -0.98 -3.05 105.19 111.35 2jql n GLY 59 Ca -0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 2jql n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jql n ARG 60 N 0.00 0.64 -1.46 1.61 0.00 -1.14 -2.48 116.66 113.83 2jql n ARG 60 Ca 0.00 0.14 -0.37 0.00 -0.00 0.00 0.00 57.85 57.61 2jql n ARG 60 Cb 0.00 -1.71 0.05 0.00 0.00 0.00 0.00 32.46 30.80 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 -2.81 -0.57 0.08 6.15 2.88 -1.26 -4.91 113.62 113.19 2jql n SER 61 Ca -0.15 0.72 -0.10 0.00 -1.33 0.00 0.00 58.87 58.01 2jql n SER 61 Cb 0.91 -1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 63.11 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 0.15 0.25 0.00 -1.46 9.65 -1.98 -3.09 114.38 117.90 2jql h ARG 62 Ca -0.46 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.14 2jql h ARG 62 Cb 1.38 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 30.03 2jql h ARG 62 CO 0.47 0.98 -0.03 0.77 2.80 0.00 0.00 179.97 184.96 2jql h SER 63 N 0.14 0.00 -2.54 -3.80 0.02 -1.97 -3.45 113.55 101.94 2jql h SER 63 Ca -0.05 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.30 2jql h SER 63 Cb 1.51 0.00 0.08 0.00 0.14 0.00 0.00 62.40 64.13 2jql h SER 63 CO 0.14 0.03 0.51 0.00 -1.14 0.00 0.00 176.83 176.36 2jql h ASP 65 N 3.81 0.97 -3.57 0.00 1.82 0.10 -3.39 116.42 116.16 2jql h ASP 65 Ca -0.44 -0.00 -0.61 0.00 -0.39 0.00 0.00 57.03 55.58 2jql h ASP 65 Cb 1.29 -0.21 -0.38 0.00 0.68 0.00 0.00 39.33 40.72 2jql h ASP 65 CO 0.73 0.65 -0.80 -0.69 -1.61 0.00 0.00 179.24 177.52 2jql s VAL 66 N -6.08 1.60 -0.29 2.25 1.01 0.61 -4.89 120.40 114.63 2jql s VAL 66 Ca -0.13 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 2jql s VAL 66 Cb 0.18 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2jql s VAL 66 CO 0.80 0.01 0.51 -0.63 0.00 0.00 0.00 175.10 175.79 2jql s ILE 67 N 1.38 5.06 0.72 2.22 1.09 -1.26 -2.33 121.20 128.08 2jql s ILE 67 Ca -0.04 0.71 -0.12 0.00 -1.10 0.00 0.00 60.65 60.10 2jql s ILE 67 Cb -0.18 -3.86 0.18 0.00 -1.06 0.00 0.00 42.46 37.54 2jql s ILE 67 CO -0.07 -0.00 0.71 0.18 -0.10 0.00 0.00 174.94 175.66 2jql n LEU 68 N 5.60 0.00 -1.11 2.97 4.32 -1.03 -4.98 117.00 122.76 2jql n LEU 68 Ca -0.04 -0.76 -0.02 0.00 -0.02 0.00 0.00 56.01 55.17 2jql n LEU 68 Cb 0.50 -0.62 0.21 0.00 -1.62 0.00 0.00 43.42 41.88 2jql n LEU 68 CO 0.42 -1.58 0.71 -1.20 -1.22 0.00 0.00 177.39 174.52 2jql n SER 69 N -4.01 2.82 -4.47 -1.43 7.64 -1.26 -4.96 113.62 107.95 2jql n SER 69 Ca 0.10 -3.59 -0.37 0.00 1.01 0.00 0.00 58.87 56.02 2jql n SER 69 Cb 0.36 -0.62 -0.12 0.00 -1.01 0.00 0.00 64.21 62.82 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 -3.15 3.70 0.41 1.43 2.56 -1.26 -4.97 118.70 117.42 2jql s GLU 70 Ca 0.44 -0.45 0.25 0.00 0.00 0.00 0.00 54.97 55.20 2jql s GLU 70 Cb 0.39 -3.36 1.34 0.00 2.00 0.00 0.00 34.13 34.50 2jql s GLU 70 CO 0.02 -0.17 1.73 -1.35 -0.56 0.00 0.00 175.26 174.93 2jql h PRO 71 N 8.20 0.00 -0.38 4.30 0.11 -2.02 -2.20 132.00 139.99 2jql h PRO 71 Ca -0.38 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.45 2jql h PRO 71 Cb 1.18 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.92 2jql h PRO 71 CO 0.58 0.00 -0.98 -0.25 -0.21 0.00 0.00 178.00 177.14 2jql n ASP 72 N -2.41 2.26 -4.79 -2.05 8.00 -1.26 -5.09 116.55 111.22 2jql n ASP 72 Ca -0.02 -2.59 -0.36 0.00 0.71 0.00 0.00 54.79 52.53 2jql n ASP 72 Cb 0.13 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 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 -3.23 3.82 0.20 0.53 1.10 -0.83 -4.97 121.20 117.83 2jql s ILE 73 Ca 0.35 1.36 -0.33 0.00 -0.51 0.00 0.00 60.65 61.52 2jql s ILE 73 Cb 0.36 -3.68 -0.13 0.00 0.15 0.00 0.00 42.46 39.16 2jql s ILE 73 CO -0.05 -0.03 1.65 -1.20 -2.11 0.00 0.00 174.94 173.20 2jql n SER 74 N -0.15 3.63 -0.10 4.50 7.64 -1.26 -3.77 113.62 124.11 2jql n SER 74 Ca 0.05 1.08 -0.12 0.00 1.01 0.00 0.00 58.87 60.89 2jql n SER 74 Cb 0.50 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 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 3.68 1.30 -0.66 0.44 2.02 -1.91 -2.98 112.91 114.79 2jql h THR 75 Ca -0.44 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.51 2jql h THR 75 Cb 1.22 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2jql h THR 75 CO 0.92 0.39 0.00 0.49 0.37 0.00 0.00 175.52 177.69 2jql n PHE 76 N -4.42 1.38 -0.01 3.16 3.01 -1.26 -4.20 117.46 115.12 2jql n PHE 76 Ca -0.03 -0.59 -0.00 0.00 1.01 0.00 0.00 57.45 57.83 2jql n PHE 76 Cb 0.37 -0.20 -0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.21 -0.01 -3.62 1.38 -0.00 -1.15 -4.65 115.22 108.38 2jql n HIS 77 Ca 0.26 0.03 -0.10 0.00 0.46 0.00 0.00 57.72 58.36 2jql n HIS 77 Cb 0.84 -0.16 -0.03 0.00 -0.12 0.00 0.00 29.99 30.51 2jql n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jql s ALA 78 N -3.59 -1.12 -0.04 1.57 0.00 -1.17 -4.22 121.76 113.18 2jql s ALA 78 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2jql s ALA 78 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2jql s ALA 78 CO 0.02 -0.75 -0.13 -1.21 0.00 0.00 0.00 175.76 173.69 2jql s GLU 79 N -3.82 1.51 -0.12 0.00 2.02 0.14 -1.70 118.70 116.71 2jql s GLU 79 Ca 0.05 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.61 2jql s GLU 79 Cb -0.00 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.92 2jql s GLU 79 CO -0.09 0.14 -0.22 -0.06 0.02 0.00 0.00 175.26 175.06 2jql s PHE 80 N 0.26 2.64 -0.32 1.61 0.40 0.69 0.10 117.98 123.36 2jql s PHE 80 Ca -0.07 -1.18 -0.17 0.00 -0.60 0.00 0.00 56.93 54.92 2jql s PHE 80 Cb -0.12 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 2jql s PHE 80 CO 0.02 -0.51 0.45 -1.01 0.70 0.00 0.00 175.22 174.87 2jql s HIS 81 N 0.60 3.21 -0.36 0.36 3.76 0.37 0.20 115.29 123.43 2jql s HIS 81 Ca -0.12 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2jql s HIS 81 Cb -0.17 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.79 2jql s HIS 81 CO 0.03 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.49 2jql s LEU 82 N 2.22 4.60 -0.02 0.89 2.96 -0.67 -1.09 118.68 127.57 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 -0.22 -1.32 0.00 0.00 176.35 174.32 2jql s LEU 83 N 1.48 2.05 -0.27 -0.68 0.20 -1.09 -1.94 118.68 118.43 2jql s LEU 83 Ca 0.01 -0.42 -0.11 0.00 0.69 0.00 0.00 54.13 54.30 2jql s LEU 83 Cb -0.20 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.32 2jql s LEU 83 CO 0.05 0.28 0.17 -1.10 -0.29 0.00 0.00 176.35 175.47 2jql s GLN 84 N -0.55 3.95 -0.05 1.98 -0.21 -1.26 -2.78 119.66 120.74 2jql s GLN 84 Ca 0.09 -0.32 0.05 0.00 0.02 0.00 0.00 55.36 55.20 2jql s GLN 84 Cb -0.09 -3.61 -0.02 0.00 1.00 0.00 0.00 33.01 30.29 2jql s GLN 84 CO -0.01 -0.13 -0.20 1.41 -2.12 0.00 0.00 175.29 174.24 2jql s MET 85 N 1.61 2.43 -0.31 2.91 1.75 -1.06 -5.04 119.30 121.58 2jql s MET 85 Ca 0.07 -0.81 -0.10 0.00 -1.25 0.00 0.00 55.69 53.59 2jql s MET 85 Cb -0.15 -2.24 -0.01 0.00 2.84 0.00 0.00 34.83 35.27 2jql s MET 85 CO 0.09 0.53 0.17 0.16 -0.65 0.00 0.00 175.02 175.32 2jql s ASP 86 N -0.52 5.65 -0.03 1.11 -4.77 -1.26 -2.49 116.67 114.36 2jql s ASP 86 Ca 0.07 -0.47 -0.01 0.00 -3.30 0.00 0.00 52.55 48.84 2jql s ASP 86 Cb -0.11 -2.03 0.03 0.00 -1.09 0.00 0.00 42.92 39.72 2jql s ASP 86 CO 0.01 -0.19 0.04 0.54 0.70 0.00 0.00 175.17 176.27 2jql s VAL 87 N 1.64 -0.07 0.04 2.11 0.11 -1.24 -5.00 120.40 117.98 2jql s VAL 87 Ca 0.05 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2jql s VAL 87 Cb -0.17 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2jql s VAL 87 CO 0.07 0.12 0.00 0.47 -3.33 0.00 0.00 175.10 172.43 2jql n ASP 88 N 4.50 -4.60 -0.09 3.54 8.00 -1.26 -4.07 116.55 122.58 2jql n ASP 88 Ca -0.21 0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.35 2jql n ASP 88 Cb 0.50 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2jql n ASP 88 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2jql h ASN 89 N -0.15 -1.46 -3.83 -2.24 4.21 -2.05 -3.42 115.58 106.64 2jql h ASN 89 Ca 0.00 0.21 -0.29 0.00 1.21 0.00 0.00 56.30 57.43 2jql h ASN 89 Cb 0.14 0.62 0.09 0.00 -1.12 0.00 0.00 38.32 38.05 2jql h ASN 89 CO 0.00 -0.40 0.20 0.49 -1.29 0.00 0.00 177.43 176.43 2jql n PHE 90 N -5.42 -3.64 -4.55 1.19 3.72 -1.26 -5.11 117.46 102.39 2jql n PHE 90 Ca -0.02 -0.93 -0.22 0.00 -0.05 0.00 0.00 57.45 56.22 2jql n PHE 90 Cb 0.36 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 38.15 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 -4.64 1.15 0.06 -1.08 -2.07 -1.26 -3.65 119.66 108.17 2jql s GLN 91 Ca 0.48 -0.71 0.08 0.00 -1.82 0.00 0.00 55.36 53.38 2jql s GLN 91 Cb -0.02 -1.16 -0.03 0.00 -1.09 0.00 0.00 33.01 30.71 2jql s GLN 91 CO 0.33 0.30 -0.20 -0.98 -1.32 0.00 0.00 175.29 173.42 2jql s ARG 92 N -0.84 1.94 -0.16 9.60 1.70 -1.04 -4.97 118.95 125.19 2jql s ARG 92 Ca 0.04 -1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 54.24 2jql s ARG 92 Cb -0.07 -2.13 -0.01 0.00 -0.57 0.00 0.00 34.95 32.17 2jql s ARG 92 CO 0.01 0.52 -0.11 -0.80 -1.08 0.00 0.00 175.30 173.84 2jql s ASN 93 N -1.55 4.02 -0.11 -2.89 0.01 -1.26 -2.55 114.94 110.61 2jql s ASN 93 Ca 0.15 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 2jql s ASN 93 Cb -0.10 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.89 2jql s ASN 93 CO 0.05 0.10 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.96 2jql s LEU 94 N 0.71 3.37 -0.04 0.60 1.43 -1.12 -4.93 118.68 118.71 2jql s LEU 94 Ca -0.05 0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2jql s LEU 94 Cb -0.15 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2jql s LEU 94 CO 0.02 0.29 -0.24 -0.63 0.23 0.00 0.00 176.35 176.02 2jql s ILE 95 N -0.35 1.91 0.02 -0.59 1.09 -1.12 -2.67 121.20 119.49 2jql s ILE 95 Ca 0.06 -1.00 0.06 0.00 -1.10 0.00 0.00 60.65 58.66 2jql s ILE 95 Cb -0.12 -1.61 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 2jql s ILE 95 CO 0.02 0.54 -0.15 0.21 -0.10 0.00 0.00 174.94 175.46 2jql s ASN 96 N -0.26 4.05 -0.15 3.58 2.47 -0.25 0.10 114.94 124.48 2jql s ASN 96 Ca 0.00 -0.32 -0.03 0.00 0.42 0.00 0.00 52.86 52.94 2jql s ASN 96 Cb -0.12 -0.77 -0.02 0.00 -1.45 0.00 0.00 41.25 38.89 2jql s ASN 96 CO 0.02 0.28 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.93 2jql s VAL 97 N -0.91 3.72 -0.07 -5.21 1.01 0.51 -0.47 120.40 118.98 2jql s VAL 97 Ca 0.15 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2jql s VAL 97 Cb -0.11 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2jql s VAL 97 CO 0.05 0.50 -0.16 -0.63 0.00 0.00 0.00 175.10 174.86 2jql s ILE 98 N 0.38 1.40 -0.06 2.22 -1.09 0.29 -2.91 121.20 121.43 2jql s ILE 98 Ca -0.05 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 2jql s ILE 98 Cb -0.15 -1.25 0.01 0.00 -1.58 0.00 0.00 42.46 39.50 2jql s ILE 98 CO 0.03 0.41 -0.10 -0.62 -1.23 0.00 0.00 174.94 173.43 2jql s ASP 99 N 0.53 1.54 0.00 3.58 2.15 -1.26 0.23 116.67 123.44 2jql s ASP 99 Ca -0.15 -0.25 0.19 0.00 0.43 0.00 0.00 52.55 52.77 2jql s ASP 99 Cb -0.16 -0.70 0.53 0.00 -0.30 0.00 0.00 42.92 42.28 2jql s ASP 99 CO 0.05 0.02 1.44 2.29 -0.17 0.00 0.00 175.17 178.79 2jql n LYS 100 N 3.83 2.72 -2.37 4.34 2.85 -1.26 -5.05 118.16 123.22 2jql n LYS 100 Ca -0.23 -2.44 -0.00 0.00 -1.05 0.00 0.00 58.31 54.58 2jql n LYS 100 Cb 0.52 -1.47 -0.00 0.00 -0.65 0.00 0.00 35.03 33.42 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 1.30 -8.90 0.00 -5.58 7.64 -1.26 -5.04 113.62 101.78 2jql n SER 101 Ca 0.20 1.84 0.00 0.00 1.01 0.00 0.00 58.87 61.92 2jql n SER 101 Cb 0.56 -5.12 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 2jql n SER 101 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jql n ARG 102 N 1.86 0.00 0.00 1.43 0.00 -1.26 -5.01 116.66 113.68 2jql n ARG 102 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2jql n ARG 102 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.40 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jql n ASN 103 N -2.24 1.63 0.00 6.15 3.02 -1.26 -5.08 115.26 117.48 2jql n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jql n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jql n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jql n GLY 104 N 2.66 2.87 3.09 7.41 0.00 -1.26 -4.89 105.19 115.07 2jql n GLY 104 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 1.76 -0.04 2.61 2.01 -1.26 0.10 115.64 120.82 2jql s THR 105 Ca 0.00 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.28 2jql s THR 105 Cb 0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 2jql s THR 105 CO 0.00 0.49 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.82 2jql s PHE 106 N 1.07 2.27 -0.04 4.92 0.08 0.48 -4.37 117.98 122.40 2jql s PHE 106 Ca -0.03 -0.57 0.06 0.00 0.12 0.00 0.00 56.93 56.51 2jql s PHE 106 Cb -0.14 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2jql s PHE 106 CO -0.05 -0.13 -0.22 -1.50 -0.10 0.00 0.00 175.22 173.22 2jql s ILE 107 N -0.34 1.75 -1.49 0.64 1.10 -0.74 0.40 121.20 122.52 2jql s ILE 107 Ca 0.02 -0.92 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 0.01 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.93 2jql n ASN 108 N 2.84 -4.91 -0.05 4.50 5.03 -0.33 -1.71 115.26 120.63 2jql n ASN 108 Ca -0.17 0.09 -0.01 0.00 0.87 0.00 0.00 54.58 55.37 2jql n ASN 108 Cb 0.52 -3.97 -0.00 0.00 -1.02 0.00 0.00 39.78 35.31 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 -1.00 0.35 3.11 7.41 0.00 -1.26 -4.99 105.19 108.81 2jql n GLY 109 Ca -0.19 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2jql n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jql s ASN 110 N -2.07 1.17 0.25 1.61 2.20 -0.69 -5.13 114.94 112.28 2jql s ASN 110 Ca 0.00 -0.60 -0.30 0.00 -0.94 0.00 0.00 52.86 51.02 2jql s ASN 110 Cb 0.00 0.01 -0.10 0.00 -2.00 0.00 0.00 41.25 39.16 2jql s ASN 110 CO 0.00 -0.18 1.33 -0.13 -2.94 0.00 0.00 177.10 175.19 2jql s ARG 111 N -1.79 4.36 0.29 3.55 0.52 -1.26 -1.79 118.95 122.83 2jql s ARG 111 Ca -0.06 2.15 -0.28 0.00 -0.52 0.00 0.00 55.73 57.03 2jql s ARG 111 Cb -0.09 -3.14 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 2jql s ARG 111 CO 0.01 -0.25 1.01 -0.48 0.02 0.00 0.00 175.30 175.60 2jql s LEU 112 N -0.73 4.48 0.00 2.53 0.05 -1.26 -4.91 118.68 118.83 2jql s LEU 112 Ca 0.55 2.05 0.00 0.00 0.05 0.00 0.00 54.13 56.77 2jql s LEU 112 Cb -0.39 -3.78 0.00 0.00 -2.05 0.00 0.00 46.19 39.98 2jql s LEU 112 CO 0.44 -0.08 0.00 0.55 -0.55 0.00 0.00 176.35 176.71 2jql n VAL 113 N 0.98 0.00 -1.97 1.48 3.14 -1.26 -5.08 118.33 115.62 2jql n VAL 113 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 2jql n VAL 113 Cb 0.47 -0.67 0.01 0.00 -1.06 0.00 0.00 33.84 32.58 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 -1.78 3.53 0.23 1.45 -0.14 -1.26 -5.06 119.74 116.70 2jql s LYS 114 Ca 0.00 0.89 -0.04 0.00 -1.36 0.00 0.00 55.97 55.46 2jql s LYS 114 Cb 0.00 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 2jql s LYS 114 CO 0.00 -0.62 0.47 0.15 -0.76 0.00 0.00 175.35 174.59 2jql s LYS 115 N -4.75 3.61 -0.57 1.68 3.01 -1.26 -4.65 119.74 116.81 2jql s LYS 115 Ca 0.57 -0.10 -0.08 0.00 -1.01 0.00 0.00 55.97 55.35 2jql s LYS 115 Cb -0.12 -2.75 0.01 0.00 -1.01 0.00 0.00 37.83 33.96 2jql s LYS 115 CO 0.47 0.33 0.64 -3.47 0.51 0.00 0.00 175.35 173.83 2jql n ASP 116 N -0.57 -7.87 -4.77 2.83 -0.08 -1.26 -4.97 116.55 99.86 2jql n ASP 116 Ca -0.03 0.25 -0.39 0.00 -1.51 0.00 0.00 54.79 53.11 2jql n ASP 116 Cb 0.53 -5.35 -0.06 0.00 2.34 0.00 0.00 41.12 38.59 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 -2.79 3.89 -0.29 -0.67 6.14 -1.14 -4.92 117.35 117.57 2jql s TYR 117 Ca 0.13 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.34 2jql s TYR 117 Cb -0.04 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.52 2jql s TYR 117 CO 0.76 0.48 0.26 -1.50 0.64 0.00 0.00 175.55 176.18 2jql s ILE 118 N -0.98 5.26 -0.11 3.14 1.10 -1.26 -0.36 121.20 127.99 2jql s ILE 118 Ca 0.36 0.24 -0.05 0.00 -0.51 0.00 0.00 60.65 60.70 2jql s ILE 118 Cb -0.23 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.73 2jql s ILE 118 CO 0.26 0.18 0.08 -0.22 -2.11 0.00 0.00 174.94 173.12 2jql s LEU 119 N 1.87 4.03 0.36 8.50 0.20 0.29 -4.96 118.68 128.96 2jql s LEU 119 Ca 0.10 0.32 0.05 0.00 0.69 0.00 0.00 54.13 55.28 2jql s LEU 119 Cb -0.16 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.61 2jql s LEU 119 CO 0.11 0.39 0.20 -0.54 -0.29 0.00 0.00 176.35 176.21 2jql s LYS 120 N -0.90 1.81 0.37 1.98 1.02 -1.26 -2.80 119.74 119.95 2jql s LYS 120 Ca 0.14 -2.07 -0.27 0.00 0.02 0.00 0.00 55.97 53.78 2jql s LYS 120 Cb -0.12 -0.14 -0.11 0.00 -0.52 0.00 0.00 37.83 36.94 2jql s LYS 120 CO 0.03 -0.55 1.34 0.27 -0.92 0.00 0.00 175.35 175.52 2jql n ASN 121 N -1.35 3.01 -1.15 2.83 6.94 -1.26 -2.87 115.26 121.41 2jql n ASN 121 Ca 0.01 1.19 -0.06 0.00 -0.02 0.00 0.00 54.58 55.70 2jql n ASN 121 Cb 0.64 -1.53 0.02 0.00 -2.36 0.00 0.00 39.78 36.55 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 0.69 0.45 3.40 4.83 0.00 -0.32 -5.00 105.19 109.24 2jql n GLY 122 Ca 0.04 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.00 4.23 -0.20 1.61 1.11 -1.14 -4.96 116.67 114.33 2jql s ASP 123 Ca 0.12 -0.28 -0.09 0.00 0.18 0.00 0.00 52.55 52.47 2jql s ASP 123 Cb -0.05 -1.67 -0.05 0.00 1.07 0.00 0.00 42.92 42.23 2jql s ASP 123 CO 0.14 0.15 0.10 -0.13 1.18 0.00 0.00 175.17 176.61 2jql s ARG 124 N 0.46 4.09 -0.04 8.23 0.52 -1.26 -0.64 118.95 130.30 2jql s ARG 124 Ca -0.08 -0.28 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 2jql s ARG 124 Cb -0.15 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2jql s ARG 124 CO 0.04 0.27 -0.20 0.42 0.02 0.00 0.00 175.30 175.85 2jql s ILE 125 N 0.42 1.63 -0.14 1.52 1.09 0.12 -1.19 121.20 124.65 2jql s ILE 125 Ca 0.06 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 2jql s ILE 125 Cb -0.12 -1.38 -0.01 0.00 -1.06 0.00 0.00 42.46 39.89 2jql s ILE 125 CO -0.01 0.46 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.46 2jql s VAL 126 N -0.12 2.89 -0.06 2.92 1.01 0.16 -0.95 120.40 126.25 2jql s VAL 126 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2jql s VAL 126 Cb -0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2jql s VAL 126 CO 0.02 0.52 -0.07 -0.36 0.00 0.00 0.00 175.10 175.21 2jql s PHE 127 N 0.50 2.94 0.00 5.22 0.40 0.30 -0.38 117.98 126.96 2jql s PHE 127 Ca -0.10 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2jql s PHE 127 Cb -0.16 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.67 2jql s PHE 127 CO 0.04 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.71 2jql n GLY 128 N 2.17 1.06 0.00 4.36 0.00 0.29 -2.61 105.19 110.45 2jql n GLY 128 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.10 1.61 2.85 -1.26 -4.64 118.16 116.62 2jql n LYS 129 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2jql n LYS 129 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 2jql n LYS 129 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jql n SER 130 N 0.00 2.21 -4.53 -5.58 7.64 -1.23 -4.93 113.62 107.21 2jql n SER 130 Ca 0.00 -0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 2jql n SER 130 Cb 0.00 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 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 8.94 2.48 0.04 0.00 0.01 -1.26 0.11 113.70 124.02 2jql s SER 132 Ca 1.06 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 2jql s SER 132 Cb -0.54 -1.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2jql s SER 132 CO 0.39 0.08 0.04 0.72 0.41 0.00 0.00 173.24 174.88 2jql s PHE 133 N 0.61 0.32 -0.03 2.43 -0.71 -0.12 0.11 117.98 120.59 2jql s PHE 133 Ca -0.14 -0.71 0.07 0.00 -1.04 0.00 0.00 56.93 55.11 2jql s PHE 133 Cb -0.16 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 2jql s PHE 133 CO 0.04 -0.35 -0.25 -1.17 -1.34 0.00 0.00 175.22 172.15 2jql s LEU 134 N -2.33 2.05 -0.07 -1.99 0.20 0.23 0.12 118.68 116.89 2jql s LEU 134 Ca -0.02 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.30 2jql s LEU 134 Cb 0.01 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.42 2jql s LEU 134 CO -0.06 0.29 0.08 0.12 -0.29 0.00 0.00 176.35 176.49 2jql s PHE 135 N -0.49 3.37 -0.07 5.38 5.36 0.18 -1.19 117.98 130.52 2jql s PHE 135 Ca 0.07 0.32 -0.21 0.00 -0.96 0.00 0.00 56.93 56.15 2jql s PHE 135 Cb -0.11 -1.83 0.05 0.00 -0.34 0.00 0.00 43.02 40.79 2jql s PHE 135 CO 0.00 0.60 0.49 -1.59 -1.46 0.00 0.00 175.22 173.25 2jql s LYS 136 N -1.21 0.78 0.24 10.12 -2.85 -1.17 -1.17 119.74 124.48 2jql s LYS 136 Ca 0.17 0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 55.03 2jql s LYS 136 Cb -0.12 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 2jql s LYS 136 CO 0.07 -0.20 0.98 0.71 0.10 0.00 0.00 175.35 177.00 2jql s TYR 137 N -0.87 3.88 -0.16 1.78 2.02 -1.26 -2.36 117.35 120.37 2jql s TYR 137 Ca -0.09 1.85 -0.05 0.00 -0.37 0.00 0.00 57.07 58.42 2jql s TYR 137 Cb -0.03 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 2jql s TYR 137 CO 0.05 0.19 -0.01 0.00 -1.57 0.00 0.00 175.55 174.21 2jql s ALA 138 N -1.06 3.12 -0.53 3.71 0.00 0.45 -4.90 121.76 122.54 2jql s ALA 138 Ca 0.42 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2jql s ALA 138 Cb -0.27 -1.65 0.14 0.00 0.00 0.00 0.00 23.12 21.33 2jql s ALA 138 CO 0.34 0.22 0.29 -1.54 0.00 0.00 0.00 175.76 175.07 2jql s SER 139 N 0.33 4.28 -1.73 0.00 1.04 -1.26 -4.58 113.70 111.78 2jql s SER 139 Ca -0.02 -3.09 -0.01 0.00 0.48 0.00 0.00 55.95 53.32 2jql s SER 139 Cb -0.14 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2jql s SER 139 CO 0.02 -0.21 0.07 -1.20 0.98 0.00 0.00 173.24 172.89 2jql n SER 140 N 3.00 -5.85 -4.77 7.02 7.64 -1.26 -4.94 113.62 114.47 2jql n SER 140 Ca 0.08 -0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 2jql n SER 140 Cb 0.33 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 2jql n SER 140 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jql s SER 141 N -2.12 5.90 0.09 6.43 1.04 -1.26 -5.05 113.70 118.74 2jql s SER 141 Ca 0.03 2.41 0.03 0.00 0.48 0.00 0.00 55.95 58.91 2jql s SER 141 Cb -0.01 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2jql s SER 141 CO 0.04 -1.11 -0.10 -0.55 0.98 0.00 0.00 173.24 172.50 2jql s SER 142 N -1.30 1.38 -0.15 7.02 0.15 -1.26 -5.06 113.70 114.49 2jql s SER 142 Ca 0.66 -0.81 0.24 0.00 0.70 0.00 0.00 55.95 56.74 2jql s SER 142 Cb -0.31 0.02 0.48 0.00 -1.71 0.00 0.00 66.02 64.49 2jql s SER 142 CO 0.37 -0.28 1.14 0.35 1.20 0.00 0.00 173.24 176.02 2jql n THR 143 N 0.56 0.75 -3.58 6.45 -2.24 -1.26 -5.08 114.28 109.88 2jql n THR 143 Ca -0.16 -2.13 -0.15 0.00 -2.27 0.00 0.00 64.05 59.33 2jql n THR 143 Cb 0.58 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 2jql n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jql s ASP 144 N -3.06 -0.68 -0.33 3.42 2.15 -1.26 -5.03 116.67 111.88 2jql s ASP 144 Ca 0.30 1.05 0.09 0.00 0.43 0.00 0.00 52.55 54.42 2jql s ASP 144 Cb 0.35 0.97 0.70 0.00 -0.30 0.00 0.00 42.92 44.64 2jql s ASP 144 CO -0.09 -0.41 1.76 -0.38 -0.17 0.00 0.00 175.17 175.88 2jql n ILE 145 N 1.78 2.90 -2.69 4.11 2.08 -1.26 -4.89 119.36 121.39 2jql n ILE 145 Ca -0.16 -1.82 -0.20 0.00 0.56 0.00 0.00 62.75 61.13 2jql n ILE 145 Cb 0.56 -0.36 0.01 0.00 -0.75 0.00 0.00 39.64 39.10 2jql n ILE 145 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jql n GLU 146 N -0.44 -3.19 -3.26 0.38 2.13 -1.26 -4.96 120.64 110.04 2jql n GLU 146 Ca 0.42 0.89 -0.06 0.00 0.66 0.00 0.00 57.16 59.07 2jql n GLU 146 Cb 1.36 -5.55 -0.04 0.00 0.27 0.00 0.00 31.44 27.48 2jql n GLU 146 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2jql s ASN 147 N -2.45 -0.34 0.00 4.31 2.47 -1.26 -4.99 114.94 112.67 2jql s ASN 147 Ca 0.15 -0.67 0.00 0.00 0.42 0.00 0.00 52.86 52.76 2jql s ASN 147 Cb -0.07 1.39 0.00 0.00 -1.45 0.00 0.00 41.25 41.12 2jql s ASN 147 CO 0.19 -0.27 0.00 -0.67 -3.72 0.00 0.00 177.10 172.63 2jql n ASP 148 N 4.84 0.00 -4.62 -4.21 2.03 -1.26 -5.07 116.55 108.27 2jql n ASP 148 Ca 0.07 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 2jql n ASP 148 Cb 0.51 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 41.06 2jql n ASP 148 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jql s ASP 149 N -3.48 6.78 0.06 1.67 -1.08 -1.26 -4.98 116.67 114.38 2jql s ASP 149 Ca 0.00 0.76 -0.27 0.00 -0.52 0.00 0.00 52.55 52.52 2jql s ASP 149 Cb 0.00 -2.52 0.09 0.00 -1.46 0.00 0.00 42.92 39.03 2jql s ASP 149 CO 0.00 -0.96 0.89 -1.83 0.52 0.00 0.00 175.17 173.78 2jql s GLU 150 N 3.79 0.97 -0.19 4.34 4.04 -1.26 -5.17 118.70 125.22 2jql s GLU 150 Ca 0.44 -0.43 -0.12 0.00 0.04 0.00 0.00 54.97 54.90 2jql s GLU 150 Cb -0.11 0.40 0.06 0.00 0.02 0.00 0.00 34.13 34.51 2jql s GLU 150 CO 0.20 -0.43 0.48 0.21 -1.84 0.00 0.00 175.26 173.88 2jql s LYS 151 N -3.22 0.48 -0.16 -4.83 2.36 -1.26 -5.15 119.74 107.96 2jql s LYS 151 Ca 0.07 0.85 0.02 0.00 -2.55 0.00 0.00 55.97 54.36 2jql s LYS 151 Cb -0.01 0.06 0.01 0.00 -1.05 0.00 0.00 37.83 36.84 2jql s LYS 151 CO -0.06 -0.14 -0.21 0.08 1.55 0.00 0.00 175.35 176.57 2jql s VAL 152 N 1.24 2.09 -0.40 4.02 1.01 -1.26 -5.02 120.40 122.08 2jql s VAL 152 Ca -0.08 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.02 2jql s VAL 152 Cb -0.07 -1.85 0.43 0.00 0.00 0.00 0.00 36.38 34.89 2jql s VAL 152 CO -0.12 0.54 1.10 -1.20 0.00 0.00 0.00 175.10 175.43 2jql n SER 153 N 4.33 4.23 0.09 3.32 7.64 -1.26 -4.81 113.62 127.16 2jql n SER 153 Ca -0.20 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2jql n SER 153 Cb 0.51 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2jql n SER 153 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 154 N -0.46 -1.30 -3.69 6.43 7.64 -1.26 -5.14 113.62 115.84 2jql n SER 154 Ca 0.35 0.35 -0.10 0.00 1.01 0.00 0.00 58.87 60.48 2jql n SER 154 Cb 0.73 1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 65.25 2jql n SER 154 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jql s GLU 155 N -1.44 0.41 0.74 1.43 -1.05 -1.26 -5.17 118.70 112.36 2jql s GLU 155 Ca 0.00 0.83 -0.12 0.00 -0.15 0.00 0.00 54.97 55.54 2jql s GLU 155 Cb 0.00 0.01 0.17 0.00 -0.44 0.00 0.00 34.13 33.87 2jql s GLU 155 CO 0.00 -0.16 1.01 -1.13 0.95 0.00 0.00 175.26 175.92 2jql n SER 156 N 4.35 0.15 -4.75 0.83 3.41 -1.26 -5.00 113.62 111.35 2jql n SER 156 Ca -0.22 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.57 2jql n SER 156 Cb 0.55 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 2jql n SER 156 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jql s ARG 157 N -5.18 4.31 0.00 4.33 1.81 -1.26 -4.90 118.95 118.06 2jql s ARG 157 Ca 0.58 2.23 0.00 0.00 -1.72 0.00 0.00 55.73 56.82 2jql s ARG 157 Cb -0.02 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.37 2jql s ARG 157 CO 0.40 -0.32 0.00 -1.13 -0.68 0.00 0.00 175.30 173.57 2jql n SER 158 N 1.88 0.89 0.00 0.23 3.41 -1.26 -5.32 113.62 113.45 2jql n SER 158 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2jql n SER 158 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2jql n SER 158 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66