#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 0.53 -2.83 -1.58 1.74 -1.26 -5.07 116.66 108.19 2jql n ARG 20 Ca 0.00 0.20 -0.05 0.00 -0.77 0.00 0.00 57.85 57.23 2jql n ARG 20 Cb 0.00 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 2jql n ARG 20 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2jql n GLN 21 N -3.83 -1.84 -0.07 5.56 6.02 -1.26 -5.02 117.38 116.95 2jql n GLN 21 Ca -0.46 1.79 -0.06 0.00 -0.01 0.00 0.00 57.00 58.27 2jql n GLN 21 Cb 0.87 -5.42 -0.02 0.00 1.02 0.00 0.00 30.24 26.69 2jql n GLN 21 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jql n GLN 22 N -0.85 0.40 -1.41 -1.09 0.00 -1.26 -4.94 117.38 108.23 2jql n GLN 22 Ca 0.07 0.32 -0.03 0.00 -0.00 0.00 0.00 57.00 57.35 2jql n GLN 22 Cb 0.46 -1.38 0.01 0.00 0.00 0.00 0.00 30.24 29.32 2jql n GLN 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2jql n ARG 23 N -4.13 0.36 -3.08 3.69 1.74 -1.26 -5.12 116.66 108.86 2jql n ARG 23 Ca -0.09 -0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 55.90 2jql n ARG 23 Cb 0.32 0.40 -0.06 0.00 -1.02 0.00 0.00 32.46 32.11 2jql n ARG 23 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jql s SER 24 N -0.66 6.56 -0.40 0.55 0.15 -1.26 -4.90 113.70 113.74 2jql s SER 24 Ca 0.02 0.59 0.05 0.00 0.70 0.00 0.00 55.95 57.31 2jql s SER 24 Cb 0.12 -2.35 0.31 0.00 -1.71 0.00 0.00 66.02 62.39 2jql s SER 24 CO -0.03 -0.46 1.22 0.59 1.20 0.00 0.00 173.24 175.75 2jql n ASN 25 N 5.87 -1.90 0.03 5.45 3.02 -1.26 -5.03 115.26 121.45 2jql n ASN 25 Ca 0.00 -2.86 -0.13 0.00 -0.03 0.00 0.00 54.58 51.56 2jql n ASN 25 Cb 0.49 1.56 -0.09 0.00 -0.61 0.00 0.00 39.78 41.13 2jql n ASN 25 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2jql h LYS 26 N 2.77 -0.12 -7.29 3.52 1.63 -2.09 -3.45 116.57 111.54 2jql h LYS 26 Ca -0.19 0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 59.10 2jql h LYS 26 Cb 1.15 0.03 0.12 0.00 -0.60 0.00 0.00 32.23 32.93 2jql h LYS 26 CO 0.08 0.32 0.33 -1.25 -3.45 0.00 0.00 179.45 175.48 2jql s PRO 27 N -4.18 2.39 -0.22 1.90 0.04 -1.26 -5.06 135.00 128.61 2jql s PRO 27 Ca -0.15 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 2jql s PRO 27 Cb 0.02 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2jql s PRO 27 CO 0.61 -1.54 0.10 -1.54 0.04 0.00 0.00 177.00 174.67 2jql s SER 28 N -3.24 2.87 -0.29 6.66 1.04 -1.26 -5.00 113.70 114.49 2jql s SER 28 Ca 0.62 -0.91 0.08 0.00 0.48 0.00 0.00 55.95 56.23 2jql s SER 28 Cb -0.18 -0.31 0.47 0.00 0.10 0.00 0.00 66.02 66.10 2jql s SER 28 CO 0.53 -0.38 1.36 -1.54 0.98 0.00 0.00 173.24 174.18 2jql n SER 29 N 5.25 3.02 -3.63 7.02 3.41 -1.26 -4.93 113.62 122.51 2jql n SER 29 Ca -0.07 -3.83 -0.27 0.00 -0.26 0.00 0.00 58.87 54.45 2jql n SER 29 Cb 0.46 -0.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.69 2jql n SER 29 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jql s GLU 30 N -3.36 0.26 0.00 4.33 -6.30 -1.26 -5.10 118.70 107.27 2jql s GLU 30 Ca 0.45 -0.31 0.00 0.00 -2.50 0.00 0.00 54.97 52.61 2jql s GLU 30 Cb 0.40 -1.77 0.00 0.00 0.00 0.00 0.00 34.13 32.76 2jql s GLU 30 CO -0.02 -0.75 0.00 0.66 0.02 0.00 0.00 175.26 175.17 2jql n TYR 31 N 5.20 0.00 -3.76 5.30 4.02 -1.26 -5.07 117.16 121.59 2jql n TYR 31 Ca -0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.66 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 0.62 -0.07 -0.16 -0.72 2.01 -1.26 -5.04 115.64 111.03 2jql s THR 32 Ca 0.00 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 2jql s THR 32 Cb 0.00 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 2jql s THR 32 CO 0.00 0.10 1.86 0.00 -0.69 0.00 0.00 174.62 175.89 2jql n LEU 34 N 9.05 2.50 -4.19 0.00 -0.00 -1.24 -4.97 117.00 118.15 2jql n LEU 34 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.11 2jql n LEU 34 Cb 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.76 2jql n LEU 34 CO 0.66 0.41 -0.21 -0.83 -0.00 0.00 0.00 177.39 177.42 2jql s GLY 35 N -3.88 1.38 0.21 -3.96 0.00 -1.15 -1.04 107.32 98.88 2jql s GLY 35 Ca 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 44.72 43.11 2jql s GLY 35 CO 0.00 -1.34 -0.02 0.30 0.00 0.00 0.00 173.10 172.03 2jql s HIS 36 N -4.15 1.45 -0.05 1.90 3.76 -0.58 -1.60 115.29 116.01 2jql s HIS 36 Ca 0.38 -0.91 0.05 0.00 -0.15 0.00 0.00 55.06 54.43 2jql s HIS 36 Cb 0.06 -0.82 -0.00 0.00 1.11 0.00 0.00 32.58 32.93 2jql s HIS 36 CO 0.12 -0.05 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.25 2jql s LEU 37 N -3.26 1.97 -0.21 0.89 2.01 0.14 -2.84 118.68 117.39 2jql s LEU 37 Ca 0.25 -0.42 -0.04 0.00 0.01 0.00 0.00 54.13 53.94 2jql s LEU 37 Cb 0.05 -1.12 -0.01 0.00 0.01 0.00 0.00 46.19 45.12 2jql s LEU 37 CO 0.06 0.18 -0.04 -0.69 1.01 0.00 0.00 176.35 176.87 2jql s VAL 38 N 0.01 3.48 -0.13 -1.59 1.01 0.11 0.92 120.40 124.21 2jql s VAL 38 Ca -0.05 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2jql s VAL 38 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2jql s VAL 38 CO 0.03 0.43 0.59 0.20 0.00 0.00 0.00 175.10 176.35 2jql s ASN 39 N 1.29 6.76 -0.49 3.32 -0.87 0.58 -0.68 114.94 124.84 2jql s ASN 39 Ca 0.03 0.91 -0.20 0.00 -1.57 0.00 0.00 52.86 52.04 2jql s ASN 39 Cb -0.14 -2.34 0.05 0.00 -0.02 0.00 0.00 41.25 38.79 2jql s ASN 39 CO -0.01 -0.13 0.64 -0.76 -2.57 0.00 0.00 177.10 174.26 2jql s LEU 40 N 1.16 4.82 -0.02 0.60 1.02 0.21 -3.01 118.68 123.46 2jql s LEU 40 Ca 0.30 -0.76 0.06 0.00 0.02 0.00 0.00 54.13 53.75 2jql s LEU 40 Cb -0.16 -2.52 -0.01 0.00 0.02 0.00 0.00 46.19 43.52 2jql s LEU 40 CO 0.12 -0.88 -0.20 -0.63 0.02 0.00 0.00 176.35 174.78 2jql s ILE 41 N 2.72 1.61 -0.90 -0.59 1.01 -1.26 -4.44 121.20 119.35 2jql s ILE 41 Ca 0.17 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 2jql s ILE 41 Cb -0.18 -1.34 -0.24 0.00 0.01 0.00 0.00 42.46 40.71 2jql s ILE 41 CO 0.14 0.46 2.33 -2.65 0.00 0.00 0.00 174.94 175.21 2jql n PRO 42 N 2.63 0.25 0.00 2.79 -0.02 -1.26 -3.98 135.00 135.41 2jql n PRO 42 Ca -0.15 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 2jql n PRO 42 Cb 0.53 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2jql n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jql n GLY 43 N 6.06 1.02 3.71 -1.23 0.00 -1.26 -5.02 105.19 108.47 2jql n GLY 43 Ca 0.59 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2jql n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 44 N 0.00 1.93 -3.90 1.61 5.02 -1.26 -5.01 118.16 116.56 2jql n LYS 44 Ca 0.00 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 56.76 2jql n LYS 44 Cb 0.00 -2.43 -0.05 0.00 -0.02 0.00 0.00 35.03 32.54 2jql n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jql s GLU 45 N -2.30 2.58 -0.01 1.97 0.41 -1.26 -4.08 118.70 116.01 2jql s GLU 45 Ca 0.62 -1.41 0.02 0.00 -0.41 0.00 0.00 54.97 53.80 2jql s GLU 45 Cb -0.49 -2.36 -0.00 0.00 -1.78 0.00 0.00 34.13 29.50 2jql s GLU 45 CO 0.57 0.08 -0.08 -0.65 -0.49 0.00 0.00 175.26 174.69 2jql s GLN 46 N -3.95 0.67 -0.11 1.61 -1.52 -1.16 -5.01 119.66 110.18 2jql s GLN 46 Ca 0.40 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.54 2jql s GLN 46 Cb -0.04 -0.65 -0.02 0.00 -0.22 0.00 0.00 33.01 32.08 2jql s GLN 46 CO 0.25 0.15 -0.11 0.15 -0.25 0.00 0.00 175.29 175.48 2jql s LYS 47 N -0.10 3.16 0.12 2.91 1.02 -1.26 -0.31 119.74 125.29 2jql s LYS 47 Ca 0.02 -0.65 0.09 0.00 0.02 0.00 0.00 55.97 55.45 2jql s LYS 47 Cb -0.04 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2jql s LYS 47 CO -0.00 0.36 -0.22 0.08 -0.92 0.00 0.00 175.35 174.65 2jql s VAL 48 N -0.01 1.88 -0.22 3.17 1.01 0.26 -4.98 120.40 121.51 2jql s VAL 48 Ca -0.03 -1.67 -0.07 0.00 0.00 0.00 0.00 61.98 60.21 2jql s VAL 48 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2jql s VAL 48 CO 0.04 -0.07 0.07 -0.70 0.00 0.00 0.00 175.10 174.43 2jql s GLU 49 N -2.12 3.80 -0.10 2.72 2.12 -1.26 0.29 118.70 124.14 2jql s GLU 49 Ca 0.10 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.03 2jql s GLU 49 Cb -0.09 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 2jql s GLU 49 CO 0.05 0.02 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.12 2jql s ILE 50 N 1.06 2.71 0.45 -3.70 2.07 -0.63 -4.90 121.20 118.25 2jql s ILE 50 Ca 0.04 -0.80 0.04 0.00 -1.41 0.00 0.00 60.65 58.52 2jql s ILE 50 Cb -0.14 -2.09 0.01 0.00 0.13 0.00 0.00 42.46 40.37 2jql s ILE 50 CO 0.03 0.55 0.63 0.42 -1.91 0.00 0.00 174.94 174.66 2jql s THR 51 N 0.12 3.31 0.00 4.00 -4.23 -1.26 -2.94 115.64 114.64 2jql s THR 51 Ca -0.08 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2jql s THR 51 Cb -0.15 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2jql s THR 51 CO 0.05 -0.09 0.13 -0.46 -0.54 0.00 0.00 174.62 173.71 2jql n ASN 52 N -1.99 0.00 0.00 3.99 0.23 -1.22 -4.83 115.26 111.43 2jql n ASN 52 Ca 0.05 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 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 -0.13 0.00 0.00 -3.83 0.63 -1.26 -3.98 116.66 108.09 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 -3.04 0.00 0.00 0.45 0.00 0.00 32.46 29.87 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 0.00 0.00 -3.95 6.15 5.15 -0.78 -4.78 115.26 117.04 2jql n ASN 54 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 2jql n ASN 54 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jql s VAL 55 N 0.00 0.31 -0.09 3.44 1.01 -1.26 -0.77 120.40 123.05 2jql s VAL 55 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2jql s VAL 55 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2jql s VAL 55 CO 0.00 -0.01 -0.16 -0.89 0.00 0.00 0.00 175.10 174.04 2jql s THR 56 N -0.32 1.50 -0.07 3.92 2.01 0.54 -4.85 115.64 118.37 2jql s THR 56 Ca -0.01 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2jql s THR 56 Cb -0.03 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2jql s THR 56 CO -0.00 0.44 0.07 0.42 -0.69 0.00 0.00 174.62 174.86 2jql s THR 57 N 0.70 4.80 -0.14 -0.82 -4.23 -1.26 -0.41 115.64 114.27 2jql s THR 57 Ca -0.13 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 2jql s THR 57 Cb -0.16 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2jql s THR 57 CO 0.03 0.52 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.83 2jql s ILE 58 N -1.03 2.46 -5.00 2.99 -1.09 0.30 0.12 121.20 119.95 2jql s ILE 58 Ca 0.17 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2jql s ILE 58 Cb -0.12 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 2jql s ILE 58 CO 0.07 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 2jql n GLY 59 N 3.97 -0.29 0.01 6.18 0.00 -1.06 -1.40 105.19 112.61 2jql n GLY 59 Ca -0.19 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 0.20 -1.49 1.61 0.63 -1.25 -2.85 116.66 113.52 2jql n ARG 60 Ca 0.00 -0.04 -0.38 0.00 -0.92 0.00 0.00 57.85 56.51 2jql n ARG 60 Cb 0.00 -1.53 0.04 0.00 0.45 0.00 0.00 32.46 31.42 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 -1.76 -0.82 0.12 6.15 2.88 -1.26 -4.88 113.62 114.04 2jql n SER 61 Ca 0.02 0.74 -0.02 0.00 -1.33 0.00 0.00 58.87 58.28 2jql n SER 61 Cb 0.40 -1.20 0.18 0.00 -0.75 0.00 0.00 64.21 62.84 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 0.26 0.12 0.00 -1.46 2.43 -1.98 -2.88 114.38 110.88 2jql h ARG 62 Ca -0.46 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2jql h ARG 62 Cb 1.40 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2jql h ARG 62 CO 0.47 0.65 -0.21 1.03 -1.51 0.00 0.00 179.97 180.40 2jql h SER 63 N 0.09 0.00 -3.54 -3.80 0.87 -2.00 -3.47 113.55 101.70 2jql h SER 63 Ca -0.00 -0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 59.99 2jql h SER 63 Cb 1.02 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 63.17 2jql h SER 63 CO 0.08 0.01 -0.20 0.00 -0.53 0.00 0.00 176.83 176.19 2jql h ASP 65 N -0.68 -0.32 -3.34 0.00 5.19 0.57 -3.45 116.42 114.39 2jql h ASP 65 Ca -0.46 -0.12 -0.65 0.00 -0.62 0.00 0.00 57.03 55.19 2jql h ASP 65 Cb 1.32 0.08 -0.24 0.00 0.18 0.00 0.00 39.33 40.68 2jql h ASP 65 CO 0.42 0.16 -0.70 -0.69 -3.12 0.00 0.00 179.24 175.32 2jql s VAL 66 N -3.22 3.63 -0.51 -1.35 1.01 -0.65 -4.96 120.40 114.35 2jql s VAL 66 Ca -0.09 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 2jql s VAL 66 Cb 0.01 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.86 2jql s VAL 66 CO 0.31 0.48 0.60 0.27 0.00 0.00 0.00 175.10 176.75 2jql s ILE 67 N 0.63 4.92 1.16 2.22 -4.36 -1.25 -2.56 121.20 121.96 2jql s ILE 67 Ca -0.03 -0.62 -0.19 0.00 -0.26 0.00 0.00 60.65 59.55 2jql s ILE 67 Cb -0.15 -4.29 0.30 0.00 1.25 0.00 0.00 42.46 39.58 2jql s ILE 67 CO 0.02 -0.80 0.71 0.18 0.24 0.00 0.00 174.94 175.30 2jql n LEU 68 N 6.04 0.00 -0.79 0.37 7.99 -1.13 -4.98 117.00 124.50 2jql n LEU 68 Ca -0.08 -0.73 0.05 0.00 -0.01 0.00 0.00 56.01 55.25 2jql n LEU 68 Cb 0.45 -0.80 0.17 0.00 -0.11 0.00 0.00 43.42 43.13 2jql n LEU 68 CO 0.53 -2.52 0.31 -1.54 -1.51 0.00 0.00 177.39 172.66 2jql n SER 69 N -5.21 1.66 -4.45 -1.43 3.41 -1.26 -4.94 113.62 101.39 2jql n SER 69 Ca 0.11 -3.58 -0.35 0.00 -0.26 0.00 0.00 58.87 54.78 2jql n SER 69 Cb 0.48 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 2jql n SER 69 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jql s GLU 70 N -2.72 3.64 0.60 4.33 2.56 -1.26 -4.98 118.70 120.88 2jql s GLU 70 Ca 0.38 -0.50 0.32 0.00 0.00 0.00 0.00 54.97 55.17 2jql s GLU 70 Cb 0.37 -3.16 1.76 0.00 2.00 0.00 0.00 34.13 35.10 2jql s GLU 70 CO -0.08 -0.04 1.98 -1.35 -0.56 0.00 0.00 175.26 175.21 2jql h PRO 71 N 7.69 0.00 -0.62 4.30 0.11 -2.06 -1.55 132.00 139.88 2jql h PRO 71 Ca -0.37 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.30 2jql h PRO 71 Cb 1.18 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.88 2jql h PRO 71 CO 0.61 0.00 -0.90 -0.25 -0.21 0.00 0.00 178.00 177.24 2jql n ASP 72 N -2.81 3.79 -4.79 -2.05 8.00 -1.26 -5.08 116.55 112.36 2jql n ASP 72 Ca -0.02 -3.22 -0.36 0.00 0.71 0.00 0.00 54.79 51.90 2jql n ASP 72 Cb 0.24 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jql s ILE 73 N -4.27 4.00 0.07 0.53 1.10 -0.58 -5.01 121.20 117.04 2jql s ILE 73 Ca 0.43 1.49 -0.30 0.00 -0.51 0.00 0.00 60.65 61.75 2jql s ILE 73 Cb 0.38 -3.74 -0.06 0.00 0.15 0.00 0.00 42.46 39.19 2jql s ILE 73 CO 0.01 -0.04 1.15 -0.55 -2.11 0.00 0.00 174.94 173.40 2jql s SER 74 N -1.73 7.15 0.17 4.50 0.15 -1.26 -4.55 113.70 118.12 2jql s SER 74 Ca 0.57 1.98 -0.13 0.00 0.70 0.00 0.00 55.95 59.07 2jql s SER 74 Cb -0.18 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.62 2jql s SER 74 CO 0.23 -0.40 1.79 0.74 1.20 0.00 0.00 173.24 176.80 2jql h THR 75 N 4.43 1.18 -0.68 6.45 2.02 -1.92 -2.47 112.91 121.92 2jql h THR 75 Ca -0.42 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2jql h THR 75 Cb 1.21 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2jql h THR 75 CO 0.79 0.20 0.00 0.49 0.37 0.00 0.00 175.52 177.36 2jql n PHE 76 N -4.61 1.44 -0.00 3.16 3.72 -1.25 -3.79 117.46 116.12 2jql n PHE 76 Ca 0.03 -0.59 -0.00 0.00 -0.05 0.00 0.00 57.45 56.84 2jql n PHE 76 Cb 0.08 -0.21 -0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 1.25 -0.00 -3.79 1.38 -0.00 -0.49 -4.53 115.22 109.03 2jql n HIS 77 Ca 0.26 0.02 -0.10 0.00 0.46 0.00 0.00 57.72 58.36 2jql n HIS 77 Cb 0.86 -0.50 -0.05 0.00 -0.12 0.00 0.00 29.99 30.18 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 -5.01 -0.64 -0.06 1.57 0.00 -1.16 -4.20 121.76 112.27 2jql s ALA 78 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2jql s ALA 78 Cb 0.00 0.82 0.04 0.00 0.00 0.00 0.00 23.12 23.97 2jql s ALA 78 CO 0.01 -0.72 0.10 -1.21 0.00 0.00 0.00 175.76 173.94 2jql s GLU 79 N -3.89 -0.02 -0.09 0.00 2.02 -0.63 -0.54 118.70 115.55 2jql s GLU 79 Ca 0.10 0.43 0.04 0.00 0.02 0.00 0.00 54.97 55.56 2jql s GLU 79 Cb 0.01 -0.36 -0.00 0.00 0.10 0.00 0.00 34.13 33.88 2jql s GLU 79 CO -0.04 -0.29 -0.23 -0.06 0.02 0.00 0.00 175.26 174.66 2jql s PHE 80 N 2.00 2.56 -0.33 1.61 0.08 0.45 -1.86 117.98 122.50 2jql s PHE 80 Ca 0.01 -0.93 -0.17 0.00 0.12 0.00 0.00 56.93 55.96 2jql s PHE 80 Cb -0.12 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2jql s PHE 80 CO -0.04 -0.35 0.45 -1.01 -0.10 0.00 0.00 175.22 174.17 2jql s HIS 81 N 0.22 3.20 -0.37 0.36 3.76 -1.10 0.20 115.29 121.58 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 -0.51 -0.85 0.00 0.00 174.74 173.19 2jql s LEU 82 N 2.24 4.62 -0.02 0.89 1.43 0.05 -2.82 118.68 125.07 2jql s LEU 82 Ca 0.17 -1.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 2jql s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2jql s LEU 82 CO 0.12 -0.38 -0.23 -0.22 0.23 0.00 0.00 176.35 175.87 2jql s LEU 83 N 1.48 2.05 -0.12 1.79 2.96 -1.18 -1.87 118.68 123.79 2jql s LEU 83 Ca 0.01 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2jql s LEU 83 Cb -0.20 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 2jql s LEU 83 CO 0.05 0.29 0.01 0.00 -1.32 0.00 0.00 176.35 175.38 2jql s GLN 84 N -0.55 3.37 -0.11 1.98 -2.07 -1.26 -2.67 119.66 118.34 2jql s GLN 84 Ca 0.09 -0.40 -0.04 0.00 -1.82 0.00 0.00 55.36 53.18 2jql s GLN 84 Cb -0.09 -2.93 0.06 0.00 -1.09 0.00 0.00 33.01 28.96 2jql s GLN 84 CO -0.01 0.51 0.23 1.41 -1.32 0.00 0.00 175.29 176.12 2jql s MET 85 N -0.35 0.11 0.04 9.60 1.75 0.38 -4.99 119.30 125.83 2jql s MET 85 Ca 0.07 0.69 -0.26 0.00 -1.25 0.00 0.00 55.69 54.94 2jql s MET 85 Cb -0.12 -0.11 -0.05 0.00 2.84 0.00 0.00 34.83 37.39 2jql s MET 85 CO 0.02 -0.29 0.80 0.16 -0.65 0.00 0.00 175.02 175.06 2jql s ASP 86 N 2.36 7.24 -0.03 1.11 -4.77 -1.26 0.10 116.67 121.42 2jql s ASP 86 Ca 0.02 1.48 -0.01 0.00 -3.30 0.00 0.00 52.55 50.74 2jql s ASP 86 Cb -0.12 -2.49 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 2jql s ASP 86 CO -0.08 -0.03 0.05 -0.69 0.70 0.00 0.00 175.17 175.12 2jql s VAL 87 N 0.15 -0.09 0.00 2.11 1.01 -0.80 -4.90 120.40 117.88 2jql s VAL 87 Ca 0.41 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2jql s VAL 87 Cb -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2jql s VAL 87 CO 0.24 0.14 0.00 -0.67 0.00 0.00 0.00 175.10 174.81 2jql n ASP 88 N 4.79 0.00 0.00 3.32 2.03 -1.26 -3.13 116.55 122.30 2jql n ASP 88 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2jql n ASP 88 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jql n ASN 89 N 2.73 0.00 -4.86 1.67 4.05 -1.26 -5.14 115.26 112.44 2jql n ASN 89 Ca 0.00 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.72 2jql n ASN 89 Cb 0.00 0.04 -0.03 0.00 1.23 0.00 0.00 39.78 41.02 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2jql s PHE 90 N -1.18 3.48 -0.10 1.20 0.08 -1.18 -5.04 117.98 115.25 2jql s PHE 90 Ca 0.00 1.21 -0.24 0.00 0.12 0.00 0.00 56.93 58.02 2jql s PHE 90 Cb 0.00 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.83 2jql s PHE 90 CO 0.00 -0.27 0.75 1.14 -0.10 0.00 0.00 175.22 176.74 2jql s GLN 91 N -4.10 4.40 -0.29 0.44 -2.07 -1.26 -1.90 119.66 114.87 2jql s GLN 91 Ca 0.54 0.94 -0.06 0.00 -1.82 0.00 0.00 55.36 54.95 2jql s GLN 91 Cb -0.10 -3.49 0.01 0.00 -1.09 0.00 0.00 33.01 28.34 2jql s GLN 91 CO 0.34 -0.06 0.07 1.03 -1.32 0.00 0.00 175.29 175.35 2jql s ARG 92 N 1.23 3.10 -0.17 9.60 1.81 0.29 -4.94 118.95 129.87 2jql s ARG 92 Ca 0.38 -0.84 -0.01 0.00 -1.72 0.00 0.00 55.73 53.53 2jql s ARG 92 Cb -0.18 -3.34 -0.01 0.00 -0.45 0.00 0.00 34.95 30.98 2jql s ARG 92 CO 0.17 -0.43 -0.11 -0.80 -0.68 0.00 0.00 175.30 173.46 2jql s ASN 93 N 1.49 4.02 -0.02 0.23 0.01 -1.26 -0.47 114.94 118.94 2jql s ASN 93 Ca 0.03 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 2jql s ASN 93 Cb -0.17 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 2jql s ASN 93 CO 0.02 0.08 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.83 2jql s LEU 94 N 0.86 3.01 -0.00 0.60 1.43 -1.09 -4.98 118.68 118.51 2jql s LEU 94 Ca -0.03 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2jql s LEU 94 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2jql s LEU 94 CO 0.00 0.31 -0.20 -0.63 0.23 0.00 0.00 176.35 176.06 2jql s ILE 95 N -0.90 1.60 0.01 -0.59 1.09 -1.15 -3.08 121.20 118.19 2jql s ILE 95 Ca 0.15 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.81 2jql s ILE 95 Cb -0.11 -1.34 -0.03 0.00 -1.06 0.00 0.00 42.46 39.92 2jql s ILE 95 CO 0.05 0.38 -0.13 0.21 -0.10 0.00 0.00 174.94 175.35 2jql s ASN 96 N -0.65 4.12 -0.21 3.58 2.47 -1.13 0.13 114.94 123.26 2jql s ASN 96 Ca 0.08 -0.29 -0.05 0.00 0.42 0.00 0.00 52.86 53.02 2jql s ASN 96 Cb -0.08 -0.81 -0.02 0.00 -1.45 0.00 0.00 41.25 38.89 2jql s ASN 96 CO -0.00 0.28 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.96 2jql s VAL 97 N -0.92 3.78 -0.10 -5.21 1.01 0.79 -2.70 120.40 117.05 2jql s VAL 97 Ca 0.15 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2jql s VAL 97 Cb -0.11 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2jql s VAL 97 CO 0.05 0.41 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 2jql s ILE 98 N 1.24 0.95 -0.12 2.22 1.09 -0.78 -2.91 121.20 122.89 2jql s ILE 98 Ca 0.03 -0.25 -0.01 0.00 -1.10 0.00 0.00 60.65 59.32 2jql s ILE 98 Cb -0.15 -0.98 -0.02 0.00 -1.06 0.00 0.00 42.46 40.26 2jql s ILE 98 CO 0.01 0.35 -0.09 -1.81 -0.10 0.00 0.00 174.94 173.30 2jql s ASP 99 N 1.65 4.37 -0.43 3.58 1.01 -1.26 -1.61 116.67 123.99 2jql s ASP 99 Ca 0.03 -0.21 0.08 0.00 0.71 0.00 0.00 52.55 53.17 2jql s ASP 99 Cb -0.13 -1.56 0.33 0.00 1.01 0.00 0.00 42.92 42.57 2jql s ASP 99 CO -0.07 0.21 0.97 2.29 0.21 0.00 0.00 175.17 178.78 2jql n LYS 100 N 3.27 1.00 -3.30 8.23 2.85 -1.26 -5.01 118.16 123.93 2jql n LYS 100 Ca -0.18 -2.48 -0.17 0.00 -1.05 0.00 0.00 58.31 54.42 2jql n LYS 100 Cb 0.53 -1.29 -0.03 0.00 -0.65 0.00 0.00 35.03 33.59 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 0.33 2.55 -0.04 -5.58 7.64 -1.26 -4.84 113.62 112.41 2jql n SER 101 Ca 0.13 -2.21 -0.05 0.00 1.01 0.00 0.00 58.87 57.75 2jql n SER 101 Cb 0.68 0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.96 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 -0.89 1.59 0.00 1.43 1.85 -1.26 -4.80 116.66 114.58 2jql n ARG 102 Ca -0.09 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2jql n ARG 102 Cb 0.36 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.57 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 -2.52 0.00 0.00 2.89 4.13 -1.26 -5.00 115.26 113.50 2jql n ASN 103 Ca -0.15 0.92 0.00 0.00 1.68 0.00 0.00 54.58 57.02 2jql n ASN 103 Cb 0.73 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 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 2.94 2.91 7.41 0.00 -1.26 -5.03 105.19 111.39 2jql n GLY 104 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 0.78 -0.10 2.61 2.01 -1.26 -0.55 115.64 119.13 2jql s THR 105 Ca 0.00 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.82 2jql s THR 105 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2jql s THR 105 CO 0.00 0.30 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.64 2jql s PHE 106 N 1.20 2.44 -0.05 4.92 0.08 0.30 -4.45 117.98 122.42 2jql s PHE 106 Ca -0.06 -1.00 0.06 0.00 0.12 0.00 0.00 56.93 56.05 2jql s PHE 106 Cb -0.14 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2jql s PHE 106 CO -0.02 -0.41 -0.23 -1.50 -0.10 0.00 0.00 175.22 172.96 2jql s ILE 107 N 0.39 2.24 -1.79 0.64 1.10 -0.75 0.37 121.20 123.40 2jql s ILE 107 Ca -0.18 -1.02 0.00 0.00 -0.51 0.00 0.00 60.65 58.94 2jql s ILE 107 Cb -0.18 -1.81 0.00 0.00 0.15 0.00 0.00 42.46 40.62 2jql s ILE 107 CO 0.08 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 174.08 2jql n ASN 108 N 2.72 -5.59 0.00 4.50 5.03 -0.34 -1.19 115.26 120.38 2jql n ASN 108 Ca -0.17 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.39 2jql n ASN 108 Cb 0.52 -4.67 0.00 0.00 -1.02 0.00 0.00 39.78 34.61 2jql n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 109 N -0.90 0.30 3.12 7.41 0.00 -1.26 -4.99 105.19 108.87 2jql n GLY 109 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.01 1.20 0.37 1.61 0.01 -0.33 -5.13 114.94 110.66 2jql s ASN 110 Ca 0.00 -0.66 -0.27 0.00 -0.71 0.00 0.00 52.86 51.22 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 -0.21 1.18 -0.13 -1.51 0.00 0.00 177.10 176.44 2jql s ARG 111 N -2.07 4.21 0.23 -0.60 0.52 -1.26 -1.80 118.95 118.17 2jql s ARG 111 Ca -0.03 1.91 -0.30 0.00 -0.52 0.00 0.00 55.73 56.79 2jql s ARG 111 Cb -0.07 -2.83 -0.09 0.00 0.52 0.00 0.00 34.95 32.48 2jql s ARG 111 CO 0.00 -0.21 1.17 -0.48 0.02 0.00 0.00 175.30 175.80 2jql s LEU 112 N -2.19 4.48 -0.08 2.53 2.34 -1.26 -4.92 118.68 119.58 2jql s LEU 112 Ca 0.53 2.28 0.06 0.00 0.06 0.00 0.00 54.13 57.06 2jql s LEU 112 Cb -0.33 -3.62 -0.09 0.00 -0.56 0.00 0.00 46.19 41.59 2jql s LEU 112 CO 0.42 -0.30 0.01 0.55 -1.06 0.00 0.00 176.35 175.97 2jql n VAL 113 N 1.92 0.56 -4.65 1.48 3.14 -1.26 -5.06 118.33 114.47 2jql n VAL 113 Ca 0.02 -0.33 -0.29 0.00 -2.96 0.00 0.00 64.34 60.78 2jql n VAL 113 Cb 0.45 -0.80 -0.09 0.00 -1.06 0.00 0.00 33.84 32.34 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 -2.20 2.02 -0.35 1.45 1.02 -1.26 -5.05 119.74 115.36 2jql s LYS 114 Ca -0.06 -2.22 0.07 0.00 0.02 0.00 0.00 55.97 53.78 2jql s LYS 114 Cb 0.03 -1.37 0.51 0.00 -0.52 0.00 0.00 37.83 36.48 2jql s LYS 114 CO 0.32 -0.26 1.55 1.63 -0.92 0.00 0.00 175.35 177.67 2jql n LYS 115 N -1.06 2.21 -2.88 1.68 4.01 -1.26 -4.64 118.16 116.23 2jql n LYS 115 Ca -0.11 -3.32 -0.12 0.00 -0.51 0.00 0.00 58.31 54.25 2jql n LYS 115 Cb 0.67 -1.98 0.04 0.00 -0.51 0.00 0.00 35.03 33.25 2jql n LYS 115 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jql n ASP 116 N -1.05 -0.25 -4.77 4.39 2.03 -1.26 -4.83 116.55 110.81 2jql n ASP 116 Ca 0.41 -3.03 -0.39 0.00 0.52 0.00 0.00 54.79 52.29 2jql n ASP 116 Cb 1.06 0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 41.69 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 -1.51 3.90 -0.26 -0.67 6.14 -1.15 -4.93 117.35 118.87 2jql s TYR 117 Ca 0.30 1.63 -0.13 0.00 0.64 0.00 0.00 57.07 59.51 2jql s TYR 117 Cb 0.37 -2.77 -0.04 0.00 0.42 0.00 0.00 41.96 39.93 2jql s TYR 117 CO -0.05 0.50 0.27 -1.50 0.64 0.00 0.00 175.55 175.41 2jql s ILE 118 N -1.07 5.26 -0.14 3.14 1.10 -1.26 -0.15 121.20 128.08 2jql s ILE 118 Ca 0.36 0.36 -0.06 0.00 -0.51 0.00 0.00 60.65 60.80 2jql s ILE 118 Cb -0.23 -3.60 -0.04 0.00 0.15 0.00 0.00 42.46 38.74 2jql s ILE 118 CO 0.26 0.24 0.08 -0.22 -2.11 0.00 0.00 174.94 173.19 2jql s LEU 119 N 1.70 3.98 0.38 8.50 0.20 0.35 -4.91 118.68 128.89 2jql s LEU 119 Ca 0.11 0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.21 2jql s LEU 119 Cb -0.15 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2jql s LEU 119 CO 0.09 0.31 0.14 -0.75 -0.29 0.00 0.00 176.35 175.85 2jql s LYS 120 N -0.42 1.85 0.27 1.98 2.47 -1.26 -2.92 119.74 121.71 2jql s LYS 120 Ca 0.10 -2.11 -0.30 0.00 -1.56 0.00 0.00 55.97 52.10 2jql s LYS 120 Cb -0.12 -0.47 -0.13 0.00 -1.46 0.00 0.00 37.83 35.65 2jql s LYS 120 CO 0.02 -0.47 1.34 -1.71 0.16 0.00 0.00 175.35 174.69 2jql n ASN 121 N -1.23 2.63 -1.40 1.43 2.85 -1.26 -3.09 115.26 115.19 2jql n ASN 121 Ca -0.04 1.16 -0.04 0.00 -0.11 0.00 0.00 54.58 55.56 2jql n ASN 121 Cb 0.65 -1.43 0.02 0.00 1.24 0.00 0.00 39.78 40.25 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jql n GLY 122 N 1.69 0.36 3.33 8.20 0.00 -0.19 -5.01 105.19 113.57 2jql n GLY 122 Ca 0.09 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.22 3.91 -0.17 1.61 1.11 -1.16 -4.95 116.67 113.80 2jql s ASP 123 Ca 0.02 -0.38 -0.07 0.00 0.18 0.00 0.00 52.55 52.31 2jql s ASP 123 Cb -0.01 -1.60 -0.04 0.00 1.07 0.00 0.00 42.92 42.34 2jql s ASP 123 CO 0.14 0.13 0.06 -0.13 1.18 0.00 0.00 175.17 176.55 2jql s ARG 124 N 0.55 3.86 -0.02 8.23 0.52 -1.26 -1.20 118.95 129.63 2jql s ARG 124 Ca -0.09 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 2jql s ARG 124 Cb -0.16 -3.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 2jql s ARG 124 CO 0.04 0.34 -0.11 -1.50 0.02 0.00 0.00 175.30 174.08 2jql s ILE 125 N 0.19 0.91 -0.18 1.52 2.07 0.44 -1.20 121.20 124.95 2jql s ILE 125 Ca 0.04 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.80 2jql s ILE 125 Cb -0.12 -0.78 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 2jql s ILE 125 CO 0.01 0.27 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.50 2jql s VAL 126 N -0.07 2.96 -0.06 4.00 1.01 0.16 -0.67 120.40 127.73 2jql s VAL 126 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jql s VAL 126 Cb -0.07 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2jql s VAL 126 CO 0.00 0.49 0.01 -0.36 0.00 0.00 0.00 175.10 175.24 2jql s PHE 127 N 1.00 3.16 0.00 5.22 0.08 0.36 -0.54 117.98 127.27 2jql s PHE 127 Ca -0.01 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2jql s PHE 127 Cb -0.15 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 2jql s PHE 127 CO -0.02 0.48 0.00 0.41 -0.10 0.00 0.00 175.22 176.00 2jql n GLY 128 N 1.84 1.00 0.00 4.36 0.00 0.29 -2.71 105.19 109.96 2jql n GLY 128 Ca -0.17 -0.01 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 -0.11 1.61 2.85 -1.26 -4.58 118.16 116.67 2jql n LYS 129 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2jql n LYS 129 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jql n SER 130 N 0.00 1.12 -4.55 -5.58 3.41 -1.25 -4.91 113.62 101.87 2jql n SER 130 Ca 0.00 -0.07 -0.44 0.00 -0.26 0.00 0.00 58.87 58.10 2jql n SER 130 Cb 0.00 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 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 8.79 2.46 0.04 0.00 0.01 -1.26 0.14 113.70 123.87 2jql s SER 132 Ca 1.04 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 2jql s SER 132 Cb -0.47 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 2jql s SER 132 CO 0.38 0.17 -0.02 -0.36 0.41 0.00 0.00 173.24 173.82 2jql s PHE 133 N 0.04 0.40 -0.01 2.43 0.40 0.15 -0.62 117.98 120.76 2jql s PHE 133 Ca -0.05 -0.83 0.05 0.00 -0.60 0.00 0.00 56.93 55.50 2jql s PHE 133 Cb -0.13 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.09 2jql s PHE 133 CO 0.03 -0.31 -0.18 -1.17 0.70 0.00 0.00 175.22 174.29 2jql s LEU 134 N -2.35 2.04 -0.06 -0.37 0.20 0.14 -0.42 118.68 117.87 2jql s LEU 134 Ca -0.02 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.46 2jql s LEU 134 Cb 0.01 -0.91 -0.03 0.00 -0.43 0.00 0.00 46.19 44.82 2jql s LEU 134 CO -0.06 0.22 0.02 0.12 -0.29 0.00 0.00 176.35 176.35 2jql s PHE 135 N -0.42 3.19 -0.20 5.38 5.36 -0.34 -0.71 117.98 130.24 2jql s PHE 135 Ca 0.07 0.19 -0.14 0.00 -0.96 0.00 0.00 56.93 56.08 2jql s PHE 135 Cb -0.07 -1.76 0.06 0.00 -0.34 0.00 0.00 43.02 40.91 2jql s PHE 135 CO -0.01 0.50 0.50 0.15 -1.46 0.00 0.00 175.22 174.90 2jql s LYS 136 N -1.17 0.54 0.31 10.12 1.02 -1.13 -1.02 119.74 128.41 2jql s LYS 136 Ca 0.16 0.82 -0.29 0.00 0.02 0.00 0.00 55.97 56.69 2jql s LYS 136 Cb -0.11 0.15 -0.10 0.00 -0.52 0.00 0.00 37.83 37.25 2jql s LYS 136 CO 0.06 -0.12 1.27 0.71 -0.92 0.00 0.00 175.35 176.36 2jql s TYR 137 N 0.90 3.15 -0.69 3.18 2.02 -1.26 -1.53 117.35 123.13 2jql s TYR 137 Ca -0.05 1.45 -0.21 0.00 -0.37 0.00 0.00 57.07 57.89 2jql s TYR 137 Cb -0.06 -3.61 0.10 0.00 -0.40 0.00 0.00 41.96 37.99 2jql s TYR 137 CO -0.08 -1.65 0.91 0.00 -1.57 0.00 0.00 175.55 173.17 2jql s ALA 138 N -1.05 3.27 0.00 3.71 0.00 -0.20 -4.54 121.76 122.95 2jql s ALA 138 Ca 0.49 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2jql s ALA 138 Cb -0.38 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2jql s ALA 138 CO 0.50 -2.68 0.00 0.45 0.00 0.00 0.00 175.76 174.03 2jql n SER 139 N 6.99 0.00 -3.73 0.00 2.88 -1.26 -4.82 113.62 113.68 2jql n SER 139 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2jql n SER 139 Cb 0.45 0.19 -0.13 0.00 -0.75 0.00 0.00 64.21 63.98 2jql n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jql s SER 140 N -2.87 -0.29 0.00 -3.46 1.04 -1.26 -5.02 113.70 101.83 2jql s SER 140 Ca 0.00 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2jql s SER 140 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2jql s SER 140 CO 0.00 -0.16 0.00 -1.54 0.98 0.00 0.00 173.24 172.52 2jql n SER 141 N 4.11 0.00 -3.20 7.02 3.41 -1.26 -5.07 113.62 118.63 2jql n SER 141 Ca -0.24 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.18 2jql n SER 141 Cb 0.54 0.13 0.15 0.00 -0.26 0.00 0.00 64.21 64.77 2jql n SER 141 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jql n SER 142 N -2.35 -0.75 -2.48 4.04 7.64 -1.26 -4.84 113.62 113.62 2jql n SER 142 Ca 0.00 -1.13 -0.03 0.00 1.01 0.00 0.00 58.87 58.71 2jql n SER 142 Cb 0.00 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 2jql n SER 142 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jql n THR 143 N -3.57-13.14 -1.59 0.44 -1.04 -1.26 -4.86 114.28 89.26 2jql n THR 143 Ca 0.10 2.95 -0.35 0.00 -2.04 0.00 0.00 64.05 64.71 2jql n THR 143 Cb 0.37 -6.37 0.05 0.00 -1.82 0.00 0.00 70.33 62.57 2jql n THR 143 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jql n ASP 144 N 1.75 7.45 -3.64 8.00 -0.08 -1.26 -4.83 116.55 123.94 2jql n ASP 144 Ca -0.25 -3.72 -0.16 0.00 -1.51 0.00 0.00 54.79 49.15 2jql n ASP 144 Cb 0.39 -1.05 -0.14 0.00 2.34 0.00 0.00 41.12 42.66 2jql n ASP 144 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jql s ILE 145 N -4.56 -0.32 0.00 5.18 1.09 -1.26 -5.06 121.20 116.27 2jql s ILE 145 Ca 0.56 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.37 2jql s ILE 145 Cb 0.45 -0.40 0.00 0.00 -1.06 0.00 0.00 42.46 41.45 2jql s ILE 145 CO -0.22 0.08 0.00 1.21 -0.10 0.00 0.00 174.94 175.91 2jql n GLU 146 N 5.33 0.00 -1.85 2.79 2.13 -1.26 -5.00 120.64 122.78 2jql n GLU 146 Ca -0.05 0.13 -0.31 0.00 0.66 0.00 0.00 57.16 57.59 2jql n GLU 146 Cb 0.50 -0.61 0.02 0.00 0.27 0.00 0.00 31.44 31.62 2jql n GLU 146 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2jql s ASN 147 N -3.49 6.11 -0.24 4.31 -0.87 -1.26 -5.08 114.94 114.43 2jql s ASN 147 Ca 0.00 1.41 -0.03 0.00 -1.57 0.00 0.00 52.86 52.68 2jql s ASN 147 Cb 0.00 -2.43 0.12 0.00 -0.02 0.00 0.00 41.25 38.92 2jql s ASN 147 CO 0.00 -0.95 0.31 -1.81 -2.57 0.00 0.00 177.10 172.09 2jql s ASP 148 N -4.16 0.80 -0.06 -1.22 1.11 -1.26 -5.14 116.67 106.74 2jql s ASP 148 Ca 0.55 -0.06 0.01 0.00 0.18 0.00 0.00 52.55 53.23 2jql s ASP 148 Cb -0.11 0.79 0.02 0.00 1.07 0.00 0.00 42.92 44.69 2jql s ASP 148 CO 0.54 -0.32 -0.08 -1.81 1.18 0.00 0.00 175.17 174.68 2jql s ASP 149 N 2.45 1.50 0.05 0.27 1.01 -1.26 -5.14 116.67 115.54 2jql s ASP 149 Ca 0.10 -0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.20 2jql s ASP 149 Cb -0.15 -0.67 -0.03 0.00 1.01 0.00 0.00 42.92 43.07 2jql s ASP 149 CO -0.17 -0.03 -0.15 -1.61 0.21 0.00 0.00 175.17 173.43 2jql s GLU 150 N 0.93 2.16 0.27 8.23 0.41 -1.26 -5.13 118.70 124.31 2jql s GLU 150 Ca -0.10 -0.95 -0.13 0.00 -0.41 0.00 0.00 54.97 53.38 2jql s GLU 150 Cb -0.15 -2.26 -0.08 0.00 -1.78 0.00 0.00 34.13 29.86 2jql s GLU 150 CO 0.01 0.54 0.66 0.15 -0.49 0.00 0.00 175.26 176.13 2jql s LYS 151 N -1.60 3.95 -0.19 1.61 -0.14 -1.26 -5.08 119.74 117.03 2jql s LYS 151 Ca 0.16 0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 55.29 2jql s LYS 151 Cb -0.11 -2.57 0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2jql s LYS 151 CO 0.07 0.25 -0.02 0.14 -0.76 0.00 0.00 175.35 175.04 2jql s VAL 152 N -1.86 0.97 0.06 3.17 -7.23 -1.26 -4.94 120.40 109.31 2jql s VAL 152 Ca 0.50 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2jql s VAL 152 Cb -0.11 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2jql s VAL 152 CO 0.19 -0.06 0.00 -1.54 -0.31 0.00 0.00 175.10 173.38 2jql n SER 153 N 4.90 -0.15 -3.12 4.85 3.41 -1.26 -4.98 113.62 117.26 2jql n SER 153 Ca -0.11 0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 2jql n SER 153 Cb 0.47 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 2jql n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jql n SER 154 N -2.67 1.85 -3.70 4.04 2.88 -1.26 -5.08 113.62 109.68 2jql n SER 154 Ca 0.00 -3.19 -0.08 0.00 -1.33 0.00 0.00 58.87 54.27 2jql n SER 154 Cb 0.00 -0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 62.83 2jql n SER 154 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jql s GLU 155 N -2.69 1.82 -0.18 -1.46 2.12 -1.26 -5.09 118.70 111.96 2jql s GLU 155 Ca 0.42 -1.17 -0.12 0.00 0.36 0.00 0.00 54.97 54.46 2jql s GLU 155 Cb 0.33 0.57 0.05 0.00 0.26 0.00 0.00 34.13 35.33 2jql s GLU 155 CO -0.10 -0.82 0.25 0.45 -0.54 0.00 0.00 175.26 174.50 2jql n SER 156 N -0.66 -0.28 -3.30 -1.70 2.88 -1.26 -4.99 113.62 104.31 2jql n SER 156 Ca -0.04 1.30 -0.31 0.00 -1.33 0.00 0.00 58.87 58.50 2jql n SER 156 Cb 0.60 -5.14 0.29 0.00 -0.75 0.00 0.00 64.21 59.21 2jql n SER 156 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2jql n ARG 157 N 1.65 -4.54 -2.52 -1.46 1.85 -1.26 -4.75 116.66 105.63 2jql n ARG 157 Ca -0.42 -1.54 -0.04 0.00 -1.00 0.00 0.00 57.85 54.84 2jql n ARG 157 Cb 0.65 -1.86 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 2jql n ARG 157 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jql n SER 158 N -5.65 -2.82 -0.58 2.89 2.88 -1.26 -5.28 113.62 103.81 2jql n SER 158 Ca 0.14 1.49 0.07 0.00 -1.33 0.00 0.00 58.87 59.24 2jql n SER 158 Cb 0.60 -5.25 0.06 0.00 -0.75 0.00 0.00 64.21 58.88 2jql n SER 158 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81