#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 4.03 -0.07 1.64 6.06 -1.26 -4.94 118.95 124.41 2jql s ARG 20 Ca 0.00 0.71 -0.07 0.00 -2.50 0.00 0.00 55.73 53.87 2jql s ARG 20 Cb 0.00 -3.71 -0.02 0.00 0.06 0.00 0.00 34.95 31.28 2jql s ARG 20 CO 0.00 -0.65 -0.13 0.94 -2.50 0.00 0.00 175.30 172.96 2jql n GLN 21 N 6.20 0.20 -3.27 5.12 -0.06 -1.26 -4.93 117.38 119.38 2jql n GLN 21 Ca 0.05 0.11 -0.40 0.00 -2.00 0.00 0.00 57.00 54.76 2jql n GLN 21 Cb 0.48 -0.88 -0.08 0.00 -4.06 0.00 0.00 30.24 25.70 2jql n GLN 21 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2jql s GLN 22 N -1.71 4.01 -0.04 3.69 -1.52 -1.26 -4.90 119.66 117.94 2jql s GLN 22 Ca -0.11 0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.51 2jql s GLN 22 Cb 0.01 -3.67 -0.03 0.00 -0.22 0.00 0.00 33.01 29.11 2jql s GLN 22 CO 0.16 -0.37 -0.03 -2.13 -0.25 0.00 0.00 175.29 172.66 2jql n ARG 23 N 5.52 0.10 -2.87 2.91 0.63 -1.26 -5.02 116.66 116.67 2jql n ARG 23 Ca -0.05 0.02 -0.40 0.00 -0.92 0.00 0.00 57.85 56.50 2jql n ARG 23 Cb 0.50 -1.07 -0.05 0.00 0.45 0.00 0.00 32.46 32.30 2jql n ARG 23 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jql s SER 24 N -4.40 7.31 0.64 6.15 0.15 -1.26 -4.87 113.70 117.42 2jql s SER 24 Ca -0.05 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2jql s SER 24 Cb 0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2jql s SER 24 CO 0.09 -0.05 0.00 0.59 1.20 0.00 0.00 173.24 175.07 2jql n ASN 25 N 2.98 -7.95 -0.09 5.45 3.02 -1.26 -4.84 115.26 112.56 2jql n ASN 25 Ca 0.00 1.50 -0.17 0.00 -0.03 0.00 0.00 54.58 55.89 2jql n ASN 25 Cb 0.50 -5.05 -0.10 0.00 -0.61 0.00 0.00 39.78 34.52 2jql n ASN 25 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2jql h LYS 26 N -1.41 0.00 -7.12 3.52 1.57 -1.98 -3.48 116.57 107.67 2jql h LYS 26 Ca -0.20 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.05 2jql h LYS 26 Cb 1.40 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.91 2jql h LYS 26 CO 0.08 0.80 0.02 -2.30 -0.57 0.00 0.00 179.45 177.49 2jql n PRO 27 N -4.51 -0.28 -4.28 3.15 -0.02 -1.26 -5.04 135.00 122.76 2jql n PRO 27 Ca -0.23 -0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 60.99 2jql n PRO 27 Cb 0.55 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 2jql n PRO 27 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jql s SER 28 N -2.35 4.31 0.06 2.55 0.01 -1.26 -5.06 113.70 111.97 2jql s SER 28 Ca 0.66 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2jql s SER 28 Cb -0.24 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2jql s SER 28 CO 0.59 -0.23 0.00 -1.20 0.41 0.00 0.00 173.24 172.81 2jql n SER 29 N -0.99 -0.25 -4.64 2.44 7.64 -1.26 -5.08 113.62 111.48 2jql n SER 29 Ca -0.04 0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 2jql n SER 29 Cb 0.62 0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 64.17 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 -1.18 4.15 0.00 1.43 8.01 -1.26 -4.99 118.70 124.87 2jql s GLU 30 Ca 0.00 1.06 0.00 0.00 0.01 0.00 0.00 54.97 56.04 2jql s GLU 30 Cb 0.00 -3.68 0.00 0.00 -4.31 0.00 0.00 34.13 26.14 2jql s GLU 30 CO 0.00 -0.66 0.00 0.66 0.01 0.00 0.00 175.26 175.27 2jql n TYR 31 N 6.33 0.00 -3.76 1.61 4.02 -1.26 -5.12 117.16 118.98 2jql n TYR 31 Ca 0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.82 2jql n TYR 31 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.63 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jql s THR 32 N 2.33 -0.07 0.50 -0.72 2.01 -1.26 -5.04 115.64 113.39 2jql s THR 32 Ca 0.00 0.24 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 2jql s THR 32 Cb 0.00 -0.10 -0.06 0.00 0.01 0.00 0.00 72.50 72.35 2jql s THR 32 CO 0.00 0.10 1.36 0.00 -0.69 0.00 0.00 174.62 175.39 2jql n LEU 34 N -0.66 0.00 0.00 0.00 7.94 -1.12 -4.93 117.00 118.23 2jql n LEU 34 Ca 0.08 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.79 2jql n LEU 34 Cb 0.44 0.19 -0.07 0.00 0.53 0.00 0.00 43.42 44.50 2jql n LEU 34 CO 0.54 -0.34 -0.10 0.61 -1.11 0.00 0.00 177.39 176.99 2jql n GLY 35 N -0.12 3.01 3.23 -3.96 0.00 -1.15 -0.11 105.19 106.10 2jql n GLY 35 Ca 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.24 0.43 -0.21 1.61 3.76 -0.32 -0.33 115.29 116.98 2jql s HIS 36 Ca 0.36 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2jql s HIS 36 Cb 0.02 -0.18 0.05 0.00 1.11 0.00 0.00 32.58 33.58 2jql s HIS 36 CO 0.25 -0.59 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.00 2jql s LEU 37 N -2.95 2.21 -0.25 0.89 1.02 0.27 -2.72 118.68 117.15 2jql s LEU 37 Ca 0.14 -1.01 -0.15 0.00 0.02 0.00 0.00 54.13 53.13 2jql s LEU 37 Cb 0.05 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 2jql s LEU 37 CO -0.04 -0.22 0.35 -0.69 0.02 0.00 0.00 176.35 175.77 2jql s VAL 38 N 1.49 5.20 -0.18 -1.59 1.01 -0.82 -1.10 120.40 124.42 2jql s VAL 38 Ca -0.04 0.56 -0.20 0.00 0.00 0.00 0.00 61.98 62.30 2jql s VAL 38 Cb -0.18 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2jql s VAL 38 CO -0.07 0.20 0.58 0.20 0.00 0.00 0.00 175.10 176.01 2jql s ASN 39 N 1.44 6.67 -0.56 3.32 0.01 0.28 -0.74 114.94 125.35 2jql s ASN 39 Ca 0.15 0.80 -0.28 0.00 -0.71 0.00 0.00 52.86 52.83 2jql s ASN 39 Cb -0.15 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.21 2jql s ASN 39 CO 0.09 -0.20 1.16 -0.76 -1.51 0.00 0.00 177.10 175.88 2jql s LEU 40 N 1.60 3.54 -0.02 0.60 2.01 0.27 -2.90 118.68 123.79 2jql s LEU 40 Ca 0.27 0.11 0.06 0.00 0.01 0.00 0.00 54.13 54.59 2jql s LEU 40 Cb -0.16 -3.18 -0.02 0.00 0.01 0.00 0.00 46.19 42.84 2jql s LEU 40 CO 0.11 -1.43 -0.21 -0.63 1.01 0.00 0.00 176.35 175.20 2jql s ILE 41 N 4.79 1.62 -1.63 -0.59 1.01 -1.26 -4.51 121.20 120.63 2jql s ILE 41 Ca 0.42 -0.88 0.25 0.00 0.00 0.00 0.00 60.65 60.45 2jql s ILE 41 Cb -0.08 -1.35 0.55 0.00 0.01 0.00 0.00 42.46 41.59 2jql s ILE 41 CO 0.26 0.46 1.86 -0.81 0.00 0.00 0.00 174.94 176.71 2jql n PRO 42 N 2.59 0.52 -0.03 2.79 -0.04 -1.26 -3.43 135.00 136.14 2jql n PRO 42 Ca -0.15 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 2jql n PRO 42 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.76 -0.31 0.00 0.55 0.00 -1.26 -5.05 105.19 99.88 2jql n GLY 43 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.17 0.00 -1.89 1.61 3.00 -1.22 -5.17 118.16 112.31 2jql n LYS 44 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.89 2jql n LYS 44 Cb 0.64 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.70 2jql n LYS 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2jql s GLU 45 N 0.00 3.03 -0.00 1.64 8.01 -1.26 -4.46 118.70 125.66 2jql s GLU 45 Ca 0.00 1.33 0.05 0.00 0.01 0.00 0.00 54.97 56.35 2jql s GLU 45 Cb 0.00 -1.99 -0.01 0.00 -4.31 0.00 0.00 34.13 27.82 2jql s GLU 45 CO 0.00 -1.06 -0.14 -1.14 0.01 0.00 0.00 175.26 172.93 2jql s GLN 46 N -4.05 1.13 -0.14 1.61 0.74 -1.14 -4.97 119.66 112.84 2jql s GLN 46 Ca 0.66 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 55.49 2jql s GLN 46 Cb -0.19 -1.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.80 2jql s GLN 46 CO 0.39 0.30 -0.11 0.21 -0.55 0.00 0.00 175.29 175.53 2jql s LYS 47 N -0.50 3.44 -0.01 1.67 2.20 -1.26 -0.56 119.74 124.72 2jql s LYS 47 Ca 0.05 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.08 2jql s LYS 47 Cb -0.06 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 2jql s LYS 47 CO -0.00 0.20 -0.23 0.08 -0.36 0.00 0.00 175.35 175.04 2jql s VAL 48 N 0.41 1.80 -0.05 4.02 1.01 -0.25 -4.94 120.40 122.39 2jql s VAL 48 Ca -0.09 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 2jql s VAL 48 Cb -0.16 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2jql s VAL 48 CO 0.05 0.46 0.37 -1.83 0.00 0.00 0.00 175.10 174.15 2jql s GLU 49 N -0.66 3.96 -0.10 2.72 1.03 -1.26 0.97 118.70 125.36 2jql s GLU 49 Ca 0.09 0.32 0.02 0.00 0.03 0.00 0.00 54.97 55.43 2jql s GLU 49 Cb -0.09 -3.27 -0.01 0.00 -0.80 0.00 0.00 34.13 29.96 2jql s GLU 49 CO -0.00 0.58 -0.17 -1.50 -1.33 0.00 0.00 175.26 172.83 2jql s ILE 50 N -0.67 2.71 0.36 1.83 2.07 0.55 -4.91 121.20 123.15 2jql s ILE 50 Ca 0.22 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.73 2jql s ILE 50 Cb -0.16 -2.09 -0.01 0.00 0.13 0.00 0.00 42.46 40.34 2jql s ILE 50 CO 0.11 0.55 0.48 0.42 -1.91 0.00 0.00 174.94 174.59 2jql s THR 51 N 0.12 3.63 -1.37 4.00 -4.23 -1.26 -2.79 115.64 113.74 2jql s THR 51 Ca -0.08 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 2jql s THR 51 Cb -0.15 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.54 2jql s THR 51 CO 0.05 -0.10 2.09 -0.46 -0.54 0.00 0.00 174.62 175.66 2jql n ASN 52 N -1.68 4.84 -0.46 3.99 0.23 -1.20 -4.66 115.26 116.32 2jql n ASN 52 Ca 0.02 -2.98 0.06 0.00 -0.53 0.00 0.00 54.58 51.16 2jql n ASN 52 Cb 0.59 -1.55 0.20 0.00 -2.08 0.00 0.00 39.78 36.94 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jql n ARG 53 N 4.70 1.59 0.00 -3.83 0.63 -1.26 -4.89 116.66 113.60 2jql n ARG 53 Ca 0.47 -0.91 0.00 0.00 -0.92 0.00 0.00 57.85 56.50 2jql n ARG 53 Cb 0.36 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.02 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 0.20 0.00 -3.88 6.15 3.02 -0.83 -4.75 115.26 115.18 2jql n ASN 54 Ca 0.11 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 2jql n ASN 54 Cb 0.23 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.25 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jql s VAL 55 N 0.00 0.24 -0.08 2.41 1.01 -1.26 -1.61 120.40 121.11 2jql s VAL 55 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2jql s VAL 55 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.13 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 0.42 1.50 -0.11 3.92 2.01 0.54 -4.88 115.64 119.04 2jql s THR 56 Ca -0.04 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 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 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jql s THR 57 N 0.52 4.81 -0.16 -0.82 -4.23 -1.26 0.18 115.64 114.69 2jql s THR 57 Ca -0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2jql s THR 57 Cb -0.17 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.63 2jql s THR 57 CO 0.06 0.59 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.96 2jql s ILE 58 N -0.78 1.61 0.00 2.99 1.09 -0.61 0.13 121.20 125.63 2jql s ILE 58 Ca 0.13 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.98 2jql s ILE 58 Cb -0.12 -1.52 0.00 0.00 -1.06 0.00 0.00 42.46 39.76 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 4.75 -0.63 0.00 6.18 0.00 -0.95 -3.01 105.19 111.53 2jql n GLY 59 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.46 -1.17 1.61 0.63 -1.24 -1.51 116.66 115.44 2jql n ARG 60 Ca 0.00 -0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2jql n ARG 60 Cb 0.00 -1.00 0.07 0.00 0.45 0.00 0.00 32.46 31.98 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 -1.56 -1.94 -0.02 6.15 2.88 -1.26 -4.92 113.62 112.96 2jql n SER 61 Ca -0.00 0.52 -0.17 0.00 -1.33 0.00 0.00 58.87 57.89 2jql n SER 61 Cb 0.06 -1.15 -0.09 0.00 -0.75 0.00 0.00 64.21 62.28 2jql n SER 61 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jql h ARG 62 N -0.57 0.60 0.00 -1.46 2.47 -1.98 -3.12 114.38 110.32 2jql h ARG 62 Ca -0.45 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 57.75 2jql h ARG 62 Cb 1.34 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 2jql h ARG 62 CO 0.40 1.14 0.00 0.77 0.56 0.00 0.00 179.97 182.84 2jql h SER 63 N 0.23 0.00 -3.58 7.04 0.02 -2.01 -3.45 113.55 111.80 2jql h SER 63 Ca -0.05 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.39 2jql h SER 63 Cb 1.29 0.00 0.21 0.00 0.14 0.00 0.00 62.40 64.05 2jql h SER 63 CO 0.13 0.00 -0.30 0.00 -1.14 0.00 0.00 176.83 175.53 2jql h ASP 65 N -1.84 0.00 -3.30 0.00 5.19 0.73 -3.45 116.42 113.75 2jql h ASP 65 Ca -0.46 0.00 -0.74 0.00 -0.62 0.00 0.00 57.03 55.21 2jql h ASP 65 Cb 1.29 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.56 2jql h ASP 65 CO 0.38 0.19 -0.35 -0.69 -3.12 0.00 0.00 179.24 175.66 2jql s VAL 66 N -1.25 4.98 -0.32 -1.35 1.01 0.11 -4.94 120.40 118.65 2jql s VAL 66 Ca -0.01 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 60.55 2jql s VAL 66 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2jql s VAL 66 CO 0.02 -0.61 0.56 0.27 0.00 0.00 0.00 175.10 175.34 2jql s ILE 67 N 1.58 4.99 0.57 2.22 -5.25 -1.26 -2.23 121.20 121.81 2jql s ILE 67 Ca 0.04 0.65 -0.05 0.00 -0.99 0.00 0.00 60.65 60.31 2jql s ILE 67 Cb -0.25 -3.95 0.01 0.00 2.95 0.00 0.00 42.46 41.22 2jql s ILE 67 CO 0.05 -0.13 0.86 -0.76 -1.79 0.00 0.00 174.94 173.16 2jql s LEU 68 N 2.48 3.30 -0.95 0.37 1.43 -0.57 -5.00 118.68 119.74 2jql s LEU 68 Ca 0.22 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2jql s LEU 68 Cb -0.15 -3.44 0.31 0.00 0.03 0.00 0.00 46.19 42.93 2jql s LEU 68 CO 0.12 -1.01 1.46 -0.24 0.23 0.00 0.00 176.35 176.91 2jql n SER 69 N -2.49 6.23 -4.13 2.29 2.88 -1.26 -4.80 113.62 112.34 2jql n SER 69 Ca 0.04 -3.55 -0.26 0.00 -1.33 0.00 0.00 58.87 53.77 2jql n SER 69 Cb 0.58 -1.08 -0.16 0.00 -0.75 0.00 0.00 64.21 62.79 2jql n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jql s GLU 70 N -3.39 1.90 0.36 -1.46 0.41 -1.26 -5.02 118.70 110.25 2jql s GLU 70 Ca 0.37 -0.60 0.27 0.00 -0.41 0.00 0.00 54.97 54.59 2jql s GLU 70 Cb 0.14 -1.61 1.22 0.00 -1.78 0.00 0.00 34.13 32.10 2jql s GLU 70 CO -0.02 0.20 1.81 -1.00 -0.49 0.00 0.00 175.26 175.76 2jql h PRO 71 N 6.42 0.00 0.00 0.39 0.13 -2.04 -2.78 132.00 134.12 2jql h PRO 71 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 2jql h PRO 71 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2jql h PRO 71 CO 0.48 0.00 -0.50 -0.25 -0.23 0.00 0.00 178.00 177.50 2jql n ASP 72 N -2.47 1.59 -4.68 1.44 8.00 -1.26 -5.05 116.55 114.12 2jql n ASP 72 Ca 0.01 -3.27 -0.42 0.00 0.71 0.00 0.00 54.79 51.81 2jql n ASP 72 Cb 0.19 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.35 4.35 0.22 0.53 1.10 -1.05 -4.98 121.20 119.02 2jql s ILE 73 Ca 0.34 1.66 -0.31 0.00 -0.51 0.00 0.00 60.65 61.83 2jql s ILE 73 Cb 0.33 -4.07 -0.11 0.00 0.15 0.00 0.00 42.46 38.76 2jql s ILE 73 CO -0.06 -0.03 1.60 -0.44 -2.11 0.00 0.00 174.94 173.89 2jql s SER 74 N 1.50 6.48 0.11 4.50 0.01 -1.26 -4.42 113.70 120.61 2jql s SER 74 Ca 0.54 2.79 -0.15 0.00 1.31 0.00 0.00 55.95 60.43 2jql s SER 74 Cb -0.23 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.34 2jql s SER 74 CO 0.19 -0.87 1.51 0.74 0.41 0.00 0.00 173.24 175.22 2jql h THR 75 N 3.72 1.28 -0.60 1.44 2.02 -1.92 -2.91 112.91 115.94 2jql h THR 75 Ca -0.44 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2jql h THR 75 Cb 1.21 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2jql h THR 75 CO 0.87 0.38 0.00 0.49 0.37 0.00 0.00 175.52 177.63 2jql n PHE 76 N -4.41 1.24 0.00 3.16 3.72 -1.26 -4.26 117.46 115.65 2jql n PHE 76 Ca -0.02 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 2jql n PHE 76 Cb 0.34 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jql n HIS 77 N 1.09 0.00 -3.71 1.38 -0.00 -1.10 -4.68 115.22 108.19 2jql n HIS 77 Ca 0.23 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.31 2jql n HIS 77 Cb 0.75 -0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.59 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 -2.41 -0.97 -0.05 1.57 0.00 -1.16 -3.99 121.76 114.75 2jql s ALA 78 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 2jql s ALA 78 Cb 0.00 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2jql s ALA 78 CO 0.00 -0.79 -0.12 -1.21 0.00 0.00 0.00 175.76 173.64 2jql s GLU 79 N -3.86 1.43 -0.09 0.00 8.01 -0.87 -1.57 118.70 121.75 2jql s GLU 79 Ca 0.08 -0.41 0.04 0.00 0.01 0.00 0.00 54.97 54.69 2jql s GLU 79 Cb -0.01 -1.25 -0.00 0.00 -4.31 0.00 0.00 34.13 28.56 2jql s GLU 79 CO -0.04 0.11 -0.23 -0.06 0.01 0.00 0.00 175.26 175.04 2jql s PHE 80 N 0.36 2.56 -0.33 1.61 0.40 0.13 -2.08 117.98 120.63 2jql s PHE 80 Ca -0.08 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.14 2jql s PHE 80 Cb -0.12 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 2jql s PHE 80 CO 0.02 -0.36 0.45 -1.01 0.70 0.00 0.00 175.22 175.02 2jql s HIS 81 N 0.24 3.21 -0.37 0.36 3.76 -1.02 0.20 115.29 121.67 2jql s HIS 81 Ca -0.15 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 2jql s HIS 81 Cb -0.17 -2.78 0.04 0.00 1.11 0.00 0.00 32.58 30.78 2jql s HIS 81 CO 0.08 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.54 2jql s LEU 82 N 2.23 4.62 -0.02 0.89 2.96 -0.63 -1.89 118.68 126.84 2jql s LEU 82 Ca 0.16 -1.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.04 2jql s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jql s LEU 82 CO 0.12 -0.38 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.78 2jql s LEU 83 N 1.48 2.05 -0.11 -0.68 1.43 -1.10 -1.96 118.68 119.79 2jql s LEU 83 Ca 0.01 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2jql s LEU 83 Cb -0.20 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2jql s LEU 83 CO 0.05 0.29 0.06 -1.58 0.23 0.00 0.00 176.35 175.40 2jql s GLN 84 N -0.55 3.31 -0.21 1.70 0.74 -1.26 -3.02 119.66 120.37 2jql s GLN 84 Ca 0.09 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.03 2jql s GLN 84 Cb -0.09 -3.01 0.06 0.00 1.10 0.00 0.00 33.01 31.07 2jql s GLN 84 CO -0.01 0.66 0.54 1.41 -0.55 0.00 0.00 175.29 177.34 2jql s MET 85 N -0.73 0.61 -0.09 1.67 1.75 -1.13 -5.04 119.30 116.35 2jql s MET 85 Ca 0.12 0.80 -0.02 0.00 -1.25 0.00 0.00 55.69 55.35 2jql s MET 85 Cb -0.12 0.25 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 2jql s MET 85 CO 0.03 -0.09 0.00 0.16 -0.65 0.00 0.00 175.02 174.46 2jql s ASP 86 N 0.57 5.22 -0.00 1.11 -4.77 -1.26 -0.53 116.67 117.01 2jql s ASP 86 Ca -0.02 0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.37 2jql s ASP 86 Cb -0.05 -1.47 0.00 0.00 -1.09 0.00 0.00 42.92 40.32 2jql s ASP 86 CO -0.03 0.38 -0.01 -0.69 0.70 0.00 0.00 175.17 175.52 2jql s VAL 87 N -0.88 0.10 0.00 2.11 1.01 -0.11 -4.93 120.40 117.70 2jql s VAL 87 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2jql s VAL 87 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2jql s VAL 87 CO 0.02 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.49 2jql n ASP 88 N 3.15 0.00 0.00 3.32 -0.08 -1.26 -2.32 116.55 119.36 2jql n ASP 88 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 2jql n ASP 88 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jql n ASN 89 N 1.94 0.00 -3.51 1.67 5.15 -1.26 -5.16 115.26 114.09 2jql n ASN 89 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 2jql n ASN 89 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jql s PHE 90 N 0.00 -0.43 -0.22 1.20 0.08 -0.98 -5.15 117.98 112.48 2jql s PHE 90 Ca 0.00 0.26 -0.10 0.00 0.12 0.00 0.00 56.93 57.21 2jql s PHE 90 Cb 0.00 0.44 -0.05 0.00 -0.57 0.00 0.00 43.02 42.84 2jql s PHE 90 CO 0.00 -0.77 0.15 1.14 -0.10 0.00 0.00 175.22 175.64 2jql s GLN 91 N -3.47 4.14 0.11 0.44 -2.07 -1.26 -0.94 119.66 116.62 2jql s GLN 91 Ca 0.00 -0.23 0.07 0.00 -1.82 0.00 0.00 55.36 53.38 2jql s GLN 91 Cb -0.00 -3.47 -0.04 0.00 -1.09 0.00 0.00 33.01 28.41 2jql s GLN 91 CO -0.10 0.20 -0.10 0.50 -1.32 0.00 0.00 175.29 174.47 2jql s ARG 92 N 0.65 2.13 -0.21 9.60 6.06 0.31 -4.98 118.95 132.51 2jql s ARG 92 Ca 0.08 -1.05 -0.03 0.00 -2.50 0.00 0.00 55.73 52.24 2jql s ARG 92 Cb -0.12 -2.29 -0.00 0.00 0.06 0.00 0.00 34.95 32.59 2jql s ARG 92 CO 0.01 0.50 -0.08 -0.80 -2.50 0.00 0.00 175.30 172.42 2jql s ASN 93 N -2.30 3.99 -0.16 -2.12 0.02 -1.26 -2.84 114.94 110.27 2jql s ASN 93 Ca 0.22 -0.46 -0.01 0.00 -1.02 0.00 0.00 52.86 51.59 2jql s ASN 93 Cb -0.11 -1.67 -0.01 0.00 0.02 0.00 0.00 41.25 39.49 2jql s ASN 93 CO 0.14 -0.01 -0.13 -0.76 0.02 0.00 0.00 177.10 176.36 2jql s LEU 94 N 1.43 2.61 -0.01 0.60 1.43 -1.17 -4.89 118.68 118.68 2jql s LEU 94 Ca 0.06 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 2jql s LEU 94 Cb -0.14 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2jql s LEU 94 CO -0.06 0.09 -0.23 -0.63 0.23 0.00 0.00 176.35 175.75 2jql s ILE 95 N 0.81 2.31 0.02 -0.59 1.09 -1.15 -2.70 121.20 120.99 2jql s ILE 95 Ca -0.04 -1.09 0.05 0.00 -1.10 0.00 0.00 60.65 58.47 2jql s ILE 95 Cb -0.15 -1.85 -0.03 0.00 -1.06 0.00 0.00 42.46 39.37 2jql s ILE 95 CO 0.00 0.53 -0.13 0.21 -0.10 0.00 0.00 174.94 175.45 2jql s ASN 96 N -0.79 4.14 -0.19 3.58 2.47 -0.79 0.95 114.94 124.30 2jql s ASN 96 Ca 0.11 -0.29 -0.03 0.00 0.42 0.00 0.00 52.86 53.07 2jql s ASN 96 Cb -0.10 -0.81 -0.01 0.00 -1.45 0.00 0.00 41.25 38.87 2jql s ASN 96 CO 0.00 0.28 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.89 2jql s VAL 97 N -0.93 3.24 -0.10 -5.21 1.01 0.19 -2.44 120.40 116.15 2jql s VAL 97 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2jql s VAL 97 Cb -0.11 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.86 2jql s VAL 97 CO 0.06 0.46 -0.07 -0.63 0.00 0.00 0.00 175.10 174.92 2jql s ILE 98 N 1.08 0.97 -0.17 2.22 1.09 -0.88 -2.85 121.20 122.66 2jql s ILE 98 Ca 0.01 -0.27 -0.03 0.00 -1.10 0.00 0.00 60.65 59.26 2jql s ILE 98 Cb -0.15 -0.99 -0.02 0.00 -1.06 0.00 0.00 42.46 40.24 2jql s ILE 98 CO -0.01 0.36 -0.06 -1.81 -0.10 0.00 0.00 174.94 173.31 2jql s ASP 99 N 1.61 4.43 0.00 3.58 1.01 -1.26 -2.04 116.67 124.00 2jql s ASP 99 Ca 0.03 -0.27 0.23 0.00 0.71 0.00 0.00 52.55 53.25 2jql s ASP 99 Cb -0.13 -1.73 0.61 0.00 1.01 0.00 0.00 42.92 42.68 2jql s ASP 99 CO -0.07 0.10 1.49 0.29 0.21 0.00 0.00 175.17 177.19 2jql n LYS 100 N 3.96 2.05 -2.72 8.23 5.02 -1.26 -5.01 118.16 128.44 2jql n LYS 100 Ca -0.18 -1.57 -0.01 0.00 -2.02 0.00 0.00 58.31 54.53 2jql n LYS 100 Cb 0.52 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 2jql n LYS 100 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jql n SER 101 N 0.81 -6.05 0.00 4.39 7.64 -1.26 -5.04 113.62 114.11 2jql n SER 101 Ca 0.17 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.43 2jql n SER 101 Cb 0.45 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.52 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 1.02 0.00 -0.04 1.43 5.12 -1.26 -4.98 116.66 117.94 2jql n ARG 102 Ca -0.11 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.76 2jql n ARG 102 Cb 0.19 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.44 2jql n ARG 102 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2jql n ASN 103 N -2.29 3.17 0.00 0.55 6.94 -1.26 -5.09 115.26 117.27 2jql n ASN 103 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 2jql n ASN 103 Cb 0.00 0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 2jql n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jql n GLY 104 N 2.77 3.07 2.96 4.83 0.00 -1.26 -4.97 105.19 112.58 2jql n GLY 104 Ca -0.15 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2jql n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s THR 105 N 0.00 0.79 -0.05 2.61 2.01 -1.26 -0.89 115.64 118.85 2jql s THR 105 Ca 0.00 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.78 2jql s THR 105 Cb 0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 2jql s THR 105 CO 0.00 0.28 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.60 2jql s PHE 106 N 0.73 2.43 -0.04 4.92 0.40 0.39 -4.01 117.98 122.79 2jql s PHE 106 Ca -0.12 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.62 2jql s PHE 106 Cb -0.14 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2jql s PHE 106 CO 0.02 -0.17 -0.23 -1.50 0.70 0.00 0.00 175.22 174.04 2jql s ILE 107 N -0.27 1.84 -1.80 0.64 1.10 -0.13 0.37 121.20 122.95 2jql s ILE 107 Ca -0.00 -0.96 0.00 0.00 -0.51 0.00 0.00 60.65 59.17 2jql s ILE 107 Cb -0.13 -1.54 0.00 0.00 0.15 0.00 0.00 42.46 40.94 2jql s ILE 107 CO 0.03 0.52 0.00 0.59 -2.11 0.00 0.00 174.94 173.96 2jql n ASN 108 N 2.81 -5.91 -0.21 4.50 5.03 0.14 -0.94 115.26 120.68 2jql n ASN 108 Ca -0.17 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.26 2jql n ASN 108 Cb 0.52 -4.93 -0.01 0.00 -1.02 0.00 0.00 39.78 34.34 2jql n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 109 N -0.99 0.53 3.12 7.41 0.00 -1.26 -4.99 105.19 109.00 2jql n GLY 109 Ca -0.25 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.28 1.19 0.15 1.61 0.01 -0.12 -5.12 114.94 110.38 2jql s ASN 110 Ca 0.00 -0.66 -0.31 0.00 -0.71 0.00 0.00 52.86 51.18 2jql s ASN 110 Cb 0.00 0.02 -0.10 0.00 0.41 0.00 0.00 41.25 41.58 2jql s ASN 110 CO 0.00 -0.21 1.53 -0.60 -1.51 0.00 0.00 177.10 176.31 2jql s ARG 111 N -2.06 4.24 -0.05 -0.60 3.00 -1.26 -0.95 118.95 121.27 2jql s ARG 111 Ca -0.03 2.30 -0.30 0.00 -1.00 0.00 0.00 55.73 56.70 2jql s ARG 111 Cb -0.07 -3.19 -0.03 0.00 0.00 0.00 0.00 34.95 31.66 2jql s ARG 111 CO 0.00 -0.57 1.18 -1.17 0.00 0.00 0.00 175.30 174.74 2jql s LEU 112 N 1.17 4.29 -0.34 -0.88 0.20 -1.26 -4.88 118.68 116.98 2jql s LEU 112 Ca 0.69 1.80 0.16 0.00 0.69 0.00 0.00 54.13 57.47 2jql s LEU 112 Cb -0.42 -3.56 0.43 0.00 -0.43 0.00 0.00 46.19 42.21 2jql s LEU 112 CO 0.31 -0.55 1.00 0.55 -0.29 0.00 0.00 176.35 177.37 2jql n VAL 113 N 4.51 0.67 -3.56 1.68 3.14 -1.26 -5.07 118.33 118.44 2jql n VAL 113 Ca 0.10 -2.92 -0.13 0.00 -2.96 0.00 0.00 64.34 58.43 2jql n VAL 113 Cb 0.47 0.64 -0.06 0.00 -1.06 0.00 0.00 33.84 33.83 2jql n VAL 113 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2jql s LYS 114 N -2.40 0.77 0.15 1.45 2.20 -1.26 -5.17 119.74 115.48 2jql s LYS 114 Ca 0.27 0.25 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2jql s LYS 114 Cb 0.43 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 37.07 2jql s LYS 114 CO 0.00 -0.23 0.35 0.21 -0.36 0.00 0.00 175.35 175.32 2jql s LYS 115 N -0.99 3.54 -0.92 4.03 2.47 -1.26 -4.56 119.74 122.05 2jql s LYS 115 Ca -0.05 -0.28 -0.04 0.00 -1.56 0.00 0.00 55.97 54.04 2jql s LYS 115 Cb -0.01 -2.89 -0.05 0.00 -1.46 0.00 0.00 37.83 33.42 2jql s LYS 115 CO 0.04 0.47 0.80 -3.47 0.16 0.00 0.00 175.35 173.35 2jql n ASP 116 N -0.19 -5.41 -4.76 1.43 2.03 -1.26 -4.98 116.55 103.40 2jql n ASP 116 Ca -0.04 -0.60 -0.40 0.00 0.52 0.00 0.00 54.79 54.28 2jql n ASP 116 Cb 0.52 -4.54 -0.06 0.00 -0.72 0.00 0.00 41.12 36.33 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jql s TYR 117 N -3.33 3.84 -0.30 -0.67 6.14 -1.13 -4.93 117.35 116.96 2jql s TYR 117 Ca 0.34 1.59 -0.13 0.00 0.64 0.00 0.00 57.07 59.51 2jql s TYR 117 Cb -0.04 -2.80 -0.03 0.00 0.42 0.00 0.00 41.96 39.50 2jql s TYR 117 CO 0.63 0.41 0.27 -1.50 0.64 0.00 0.00 175.55 176.01 2jql s ILE 118 N -0.70 5.25 -0.15 3.14 1.10 -1.26 -0.64 121.20 127.94 2jql s ILE 118 Ca 0.37 0.13 -0.06 0.00 -0.51 0.00 0.00 60.65 60.58 2jql s ILE 118 Cb -0.22 -3.66 -0.04 0.00 0.15 0.00 0.00 42.46 38.69 2jql s ILE 118 CO 0.25 0.11 0.08 -0.22 -2.11 0.00 0.00 174.94 173.05 2jql s LEU 119 N 1.86 3.95 0.45 8.50 0.20 0.27 -4.94 118.68 128.97 2jql s LEU 119 Ca 0.09 0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.15 2jql s LEU 119 Cb -0.16 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 2jql s LEU 119 CO 0.11 0.28 0.08 -0.75 -0.29 0.00 0.00 176.35 175.77 2jql s LYS 120 N -0.25 2.04 0.43 1.98 2.47 -1.26 -2.92 119.74 122.23 2jql s LYS 120 Ca 0.09 -2.27 -0.24 0.00 -1.56 0.00 0.00 55.97 51.98 2jql s LYS 120 Cb -0.12 -1.00 -0.10 0.00 -1.46 0.00 0.00 37.83 35.15 2jql s LYS 120 CO 0.01 -0.43 1.06 -1.71 0.16 0.00 0.00 175.35 174.45 2jql n ASN 121 N -1.30 1.52 -2.29 1.43 5.15 -1.26 -3.31 115.26 115.20 2jql n ASN 121 Ca -0.11 1.04 -0.09 0.00 -0.60 0.00 0.00 54.58 54.82 2jql n ASN 121 Cb 0.66 -1.39 0.05 0.00 -0.53 0.00 0.00 39.78 38.57 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jql n GLY 122 N 1.11 -0.01 3.22 8.20 0.00 -0.82 -5.03 105.19 111.87 2jql n GLY 122 Ca 0.09 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.64 3.69 -0.18 1.61 1.11 -1.17 -4.97 116.67 113.12 2jql s ASP 123 Ca 0.03 -0.52 -0.18 0.00 0.18 0.00 0.00 52.55 52.06 2jql s ASP 123 Cb -0.00 -1.60 -0.03 0.00 1.07 0.00 0.00 42.92 42.35 2jql s ASP 123 CO 0.38 0.00 0.50 -0.13 1.18 0.00 0.00 175.17 177.11 2jql s ARG 124 N 1.29 4.23 -0.03 8.23 1.81 -1.26 -1.19 118.95 132.03 2jql s ARG 124 Ca 0.04 0.41 0.05 0.00 -1.72 0.00 0.00 55.73 54.51 2jql s ARG 124 Cb -0.14 -3.53 -0.01 0.00 -0.45 0.00 0.00 34.95 30.83 2jql s ARG 124 CO -0.07 -0.06 -0.17 0.42 -0.68 0.00 0.00 175.30 174.74 2jql s ILE 125 N 1.36 1.37 -0.12 1.52 1.09 0.13 0.25 121.20 126.80 2jql s ILE 125 Ca 0.24 -0.71 0.03 0.00 -1.10 0.00 0.00 60.65 59.11 2jql s ILE 125 Cb -0.15 -1.15 0.00 0.00 -1.06 0.00 0.00 42.46 40.10 2jql s ILE 125 CO 0.10 0.39 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.41 2jql s VAL 126 N -0.20 2.06 -0.07 2.92 1.01 0.16 -0.15 120.40 126.14 2jql s VAL 126 Ca 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2jql s VAL 126 Cb -0.09 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2jql s VAL 126 CO 0.01 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.15 2jql s PHE 127 N 0.57 2.70 0.00 5.22 0.40 0.29 -0.46 117.98 126.71 2jql s PHE 127 Ca -0.13 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2jql s PHE 127 Cb -0.17 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.69 2jql s PHE 127 CO 0.04 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.44 2jql n GLY 128 N 2.60 2.05 0.00 4.36 0.00 -0.07 -2.84 105.19 111.30 2jql n GLY 128 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -1.26 -4.65 118.16 113.81 2jql n LYS 129 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2jql n LYS 129 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jql n SER 130 N 0.00 2.72 -4.51 -5.58 3.41 -1.25 -4.96 113.62 103.45 2jql n SER 130 Ca 0.00 -0.02 -0.44 0.00 -0.26 0.00 0.00 58.87 58.16 2jql n SER 130 Cb 0.00 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 9.14 2.49 0.04 0.00 0.01 -1.26 0.11 113.70 124.23 2jql s SER 132 Ca 1.08 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 2jql s SER 132 Cb -0.60 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2jql s SER 132 CO 0.40 0.08 0.04 0.72 0.41 0.00 0.00 173.24 174.88 2jql s PHE 133 N 0.63 0.31 -0.03 2.43 -0.12 0.79 0.97 117.98 122.96 2jql s PHE 133 Ca -0.14 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.11 2jql s PHE 133 Cb -0.16 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 41.98 2jql s PHE 133 CO 0.04 -0.35 -0.23 -1.17 -0.05 0.00 0.00 175.22 173.47 2jql s LEU 134 N -2.29 2.22 -0.09 -1.99 0.20 0.08 0.23 118.68 117.03 2jql s LEU 134 Ca -0.03 -0.41 -0.06 0.00 0.69 0.00 0.00 54.13 54.33 2jql s LEU 134 Cb 0.00 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 2jql s LEU 134 CO -0.06 0.32 0.14 0.12 -0.29 0.00 0.00 176.35 176.58 2jql s PHE 135 N -0.58 3.56 0.13 5.38 2.19 -0.33 -1.93 117.98 126.39 2jql s PHE 135 Ca 0.09 0.47 -0.17 0.00 0.33 0.00 0.00 56.93 57.64 2jql s PHE 135 Cb -0.11 -1.90 0.04 0.00 -1.31 0.00 0.00 43.02 39.74 2jql s PHE 135 CO -0.00 0.70 0.43 0.15 1.83 0.00 0.00 175.22 178.33 2jql s LYS 136 N -1.24 1.09 0.13 10.12 1.02 -1.10 -1.94 119.74 127.82 2jql s LYS 136 Ca 0.18 -0.65 -0.23 0.00 0.02 0.00 0.00 55.97 55.29 2jql s LYS 136 Cb -0.12 0.49 -0.07 0.00 -0.52 0.00 0.00 37.83 37.60 2jql s LYS 136 CO 0.07 -0.43 0.70 0.71 -0.92 0.00 0.00 175.35 175.48 2jql s TYR 137 N -3.73 3.87 -0.99 3.18 2.02 -1.26 -1.17 117.35 119.27 2jql s TYR 137 Ca 0.02 1.50 -0.21 0.00 -0.37 0.00 0.00 57.07 58.01 2jql s TYR 137 Cb 0.01 -2.66 0.09 0.00 -0.40 0.00 0.00 41.96 39.00 2jql s TYR 137 CO -0.12 0.54 1.31 0.00 -1.57 0.00 0.00 175.55 175.72 2jql s ALA 138 N -1.13 3.02 0.18 3.71 0.00 0.85 -4.84 121.76 123.54 2jql s ALA 138 Ca 0.33 -2.50 -0.19 0.00 0.00 0.00 0.00 51.96 49.60 2jql s ALA 138 Cb -0.22 -4.32 0.04 0.00 0.00 0.00 0.00 23.12 18.62 2jql s ALA 138 CO 0.23 -3.33 0.54 0.45 0.00 0.00 0.00 175.76 173.66 2jql s SER 139 N 4.36 -0.34 0.10 0.00 0.15 -1.26 -4.84 113.70 111.87 2jql s SER 139 Ca 0.40 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2jql s SER 139 Cb -0.02 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2jql s SER 139 CO -0.09 -1.03 0.00 -0.24 1.20 0.00 0.00 173.24 173.08 2jql n SER 140 N -0.35 0.16 -4.08 5.45 2.88 -1.26 -5.11 113.62 111.32 2jql n SER 140 Ca -0.12 0.17 -0.21 0.00 -1.33 0.00 0.00 58.87 57.37 2jql n SER 140 Cb 0.63 0.05 -0.15 0.00 -0.75 0.00 0.00 64.21 63.99 2jql n SER 140 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jql s SER 141 N -4.88 1.48 -0.13 -3.46 0.01 -1.26 -5.03 113.70 100.43 2jql s SER 141 Ca 0.00 -0.23 0.18 0.00 1.31 0.00 0.00 55.95 57.21 2jql s SER 141 Cb 0.00 -0.20 0.43 0.00 0.21 0.00 0.00 66.02 66.46 2jql s SER 141 CO 0.00 0.15 1.19 -1.20 0.41 0.00 0.00 173.24 173.79 2jql n SER 142 N 2.84 1.65 -0.09 2.44 7.64 -1.26 -4.81 113.62 122.04 2jql n SER 142 Ca -0.15 -2.99 -0.22 0.00 1.01 0.00 0.00 58.87 56.53 2jql n SER 142 Cb 0.55 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 2jql n SER 142 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jql h THR 143 N 3.86 0.90 -0.45 0.44 2.02 -2.04 -3.48 112.91 114.16 2jql h THR 143 Ca -0.08 -2.21 0.17 0.00 0.77 0.00 0.00 66.41 65.07 2jql h THR 143 Cb 1.43 2.30 -0.19 0.00 -1.74 0.00 0.00 68.15 69.94 2jql h THR 143 CO 0.11 0.40 -0.10 -0.62 0.37 0.00 0.00 175.52 175.69 2jql s ASP 144 N -6.87 -0.73 -0.32 4.18 2.15 -1.26 -5.02 116.67 108.80 2jql s ASP 144 Ca -0.27 0.11 0.10 0.00 0.43 0.00 0.00 52.55 52.91 2jql s ASP 144 Cb 0.06 1.47 0.70 0.00 -0.30 0.00 0.00 42.92 44.85 2jql s ASP 144 CO 0.62 -0.13 1.76 -0.38 -0.17 0.00 0.00 175.17 176.87 2jql n ILE 145 N 5.21 2.88 -3.62 4.11 5.41 -1.26 -4.87 119.36 127.22 2jql n ILE 145 Ca 0.07 -1.81 -0.40 0.00 1.00 0.00 0.00 62.75 61.62 2jql n ILE 145 Cb 0.56 -0.36 -0.11 0.00 -0.71 0.00 0.00 39.64 39.03 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 2.64 0.00 0.38 2.02 -1.26 -4.81 118.70 114.63 2jql s GLU 146 Ca 0.53 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2jql s GLU 146 Cb 0.43 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2jql s GLU 146 CO 0.12 -0.87 0.00 -1.71 0.02 0.00 0.00 175.26 172.82 2jql n ASN 147 N 4.92 0.00 -3.53 -0.19 4.05 -1.26 -5.10 115.26 114.15 2jql n ASN 147 Ca -0.11 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.88 2jql n ASN 147 Cb 0.44 0.06 -0.06 0.00 1.23 0.00 0.00 39.78 41.45 2jql n ASN 147 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2jql s ASP 148 N -4.54 -0.64 -0.03 1.20 1.01 -1.26 -5.05 116.67 107.35 2jql s ASP 148 Ca 0.00 1.04 -0.03 0.00 0.71 0.00 0.00 52.55 54.27 2jql s ASP 148 Cb 0.00 1.75 -0.01 0.00 1.01 0.00 0.00 42.92 45.67 2jql s ASP 148 CO 0.00 -0.24 -0.06 0.47 0.21 0.00 0.00 175.17 175.54 2jql n ASP 149 N 5.41 0.36 0.02 0.27 9.92 -1.26 -5.00 116.55 126.27 2jql n ASP 149 Ca -0.08 0.06 -0.01 0.00 -0.53 0.00 0.00 54.79 54.23 2jql n ASP 149 Cb 0.50 -0.52 -0.00 0.00 -0.64 0.00 0.00 41.12 40.45 2jql n ASP 149 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jql n GLU 150 N -2.86 0.09 -3.82 -1.24 1.02 -1.26 -5.12 120.64 107.45 2jql n GLU 150 Ca -0.03 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.95 2jql n GLU 150 Cb 0.09 -0.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.90 2jql n GLU 150 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jql n LYS 151 N -3.44 0.85 -1.54 3.49 5.02 -1.26 -5.04 118.16 116.24 2jql n LYS 151 Ca -0.02 -2.57 -0.28 0.00 -2.02 0.00 0.00 58.31 53.42 2jql n LYS 151 Cb 0.08 1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 36.15 2jql n LYS 151 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2jql n VAL 152 N -0.76 3.57 -2.86 -0.18 0.24 -1.26 -4.93 118.33 112.15 2jql n VAL 152 Ca -0.08 -3.12 -0.15 0.00 -2.04 0.00 0.00 64.34 58.95 2jql n VAL 152 Cb 0.45 -1.68 0.06 0.00 -1.47 0.00 0.00 33.84 31.20 2jql n VAL 152 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jql n SER 153 N 1.06 1.32 0.10 -1.34 7.64 -1.26 -5.06 113.62 116.08 2jql n SER 153 Ca 0.51 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2jql n SER 153 Cb 0.52 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2jql n SER 153 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jql n SER 154 N -2.66 -1.57 -4.37 6.43 3.41 -1.26 -5.08 113.62 108.52 2jql n SER 154 Ca 0.12 0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 2jql n SER 154 Cb 0.42 1.67 -0.11 0.00 -0.26 0.00 0.00 64.21 65.94 2jql n SER 154 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jql s GLU 155 N -1.47 2.81 0.43 4.33 0.41 -1.26 -5.07 118.70 118.88 2jql s GLU 155 Ca 0.00 -1.12 -0.25 0.00 -0.41 0.00 0.00 54.97 53.19 2jql s GLU 155 Cb 0.00 -3.77 -0.08 0.00 -1.78 0.00 0.00 34.13 28.50 2jql s GLU 155 CO 0.00 -0.73 1.31 0.45 -0.49 0.00 0.00 175.26 175.79 2jql s SER 156 N 1.62 6.15 -0.32 -0.19 0.15 -1.26 -5.01 113.70 114.84 2jql s SER 156 Ca 0.02 2.66 0.03 0.00 0.70 0.00 0.00 55.95 59.36 2jql s SER 156 Cb -0.20 -2.64 0.09 0.00 -1.71 0.00 0.00 66.02 61.57 2jql s SER 156 CO 0.07 -0.96 0.02 -0.60 1.20 0.00 0.00 173.24 172.96 2jql s ARG 157 N -2.38 1.56 0.15 5.44 3.52 -1.26 -5.09 118.95 120.89 2jql s ARG 157 Ca 0.59 -1.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.51 2jql s ARG 157 Cb -0.38 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 2jql s ARG 157 CO 0.48 -0.85 0.12 -1.12 -0.81 0.00 0.00 175.30 173.12 2jql s SER 158 N 1.03 0.22 0.00 -2.12 0.01 -1.26 -5.30 113.70 106.29 2jql s SER 158 Ca 0.06 -1.16 0.26 0.00 1.31 0.00 0.00 55.95 56.42 2jql s SER 158 Cb -0.19 0.34 0.61 0.00 0.21 0.00 0.00 66.02 66.99 2jql s SER 158 CO -0.09 -0.79 1.50 0.00 0.41 0.00 0.00 173.24 174.27