#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 1.32 -0.05 1.64 0.52 -1.26 -5.07 118.95 116.05 2jql s ARG 20 Ca 0.00 -1.46 0.24 0.00 -0.52 0.00 0.00 55.73 54.00 2jql s ARG 20 Cb 0.00 0.35 0.44 0.00 0.52 0.00 0.00 34.95 36.26 2jql s ARG 20 CO 0.00 -0.48 1.17 0.94 0.02 0.00 0.00 175.30 176.94 2jql n GLN 21 N -0.30 0.38 -4.43 3.54 7.27 -1.26 -5.09 117.38 117.48 2jql n GLN 21 Ca -0.00 -2.32 -0.24 0.00 0.07 0.00 0.00 57.00 54.51 2jql n GLN 21 Cb 0.64 -0.35 -0.09 0.00 2.41 0.00 0.00 30.24 32.85 2jql n GLN 21 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2jql s GLN 22 N -0.77 1.82 -0.13 3.69 -0.21 -1.26 -5.14 119.66 117.66 2jql s GLN 22 Ca 0.34 -1.70 0.01 0.00 0.02 0.00 0.00 55.36 54.03 2jql s GLN 22 Cb 0.38 -1.85 -0.00 0.00 1.00 0.00 0.00 33.01 32.53 2jql s GLN 22 CO -0.14 0.33 -0.18 -0.98 -2.12 0.00 0.00 175.29 172.20 2jql s ARG 23 N -3.55 3.20 0.50 2.91 1.70 -1.26 -5.04 118.95 117.41 2jql s ARG 23 Ca 0.30 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 2jql s ARG 23 Cb -0.05 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 2jql s ARG 23 CO 0.16 0.11 0.00 -1.13 -1.08 0.00 0.00 175.30 173.36 2jql n SER 24 N 3.77 -7.80 -1.41 -2.89 3.41 -1.26 -4.81 113.62 102.64 2jql n SER 24 Ca -0.19 1.11 0.03 0.00 -0.26 0.00 0.00 58.87 59.56 2jql n SER 24 Cb 0.52 -4.59 0.08 0.00 -0.26 0.00 0.00 64.21 59.96 2jql n SER 24 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jql n ASN 25 N -4.31 1.44 -3.68 4.04 2.85 -1.26 -5.05 115.26 109.29 2jql n ASN 25 Ca -0.06 -2.62 -0.11 0.00 -0.11 0.00 0.00 54.58 51.69 2jql n ASN 25 Cb 0.66 -0.38 -0.09 0.00 1.24 0.00 0.00 39.78 41.21 2jql n ASN 25 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2jql s LYS 26 N -1.45 0.57 0.39 1.20 2.47 -1.26 -5.15 119.74 116.51 2jql s LYS 26 Ca 0.35 0.87 -0.27 0.00 -1.56 0.00 0.00 55.97 55.36 2jql s LYS 26 Cb 0.38 0.17 -0.10 0.00 -1.46 0.00 0.00 37.83 36.82 2jql s LYS 26 CO -0.12 -0.12 1.44 -1.25 0.16 0.00 0.00 175.35 175.46 2jql s PRO 27 N 0.93 4.01 0.00 4.03 0.04 -1.26 -4.99 135.00 137.76 2jql s PRO 27 Ca -0.05 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2jql s PRO 27 Cb -0.05 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2jql s PRO 27 CO -0.08 -0.57 0.00 0.43 0.04 0.00 0.00 177.00 176.82 2jql n SER 28 N 0.30 0.00 -1.85 6.66 7.64 -1.26 -4.89 113.62 120.22 2jql n SER 28 Ca 0.02 0.17 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 2jql n SER 28 Cb 0.40 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.44 2jql n SER 28 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 29 N -1.14 -0.14 -4.49 6.43 7.64 -1.26 -5.06 113.62 115.60 2jql n SER 29 Ca 0.00 -2.06 -0.42 0.00 1.01 0.00 0.00 58.87 57.40 2jql n SER 29 Cb 0.00 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2jql n SER 29 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jql s GLU 30 N -0.66 3.41 0.00 1.43 -6.30 -1.26 -4.94 118.70 110.38 2jql s GLU 30 Ca 0.16 -1.13 0.00 0.00 -2.50 0.00 0.00 54.97 51.49 2jql s GLU 30 Cb 0.26 -4.75 0.00 0.00 0.00 0.00 0.00 34.13 29.64 2jql s GLU 30 CO -0.08 -1.95 0.00 0.66 0.02 0.00 0.00 175.26 173.91 2jql n TYR 31 N 7.87 0.00 -3.76 5.30 4.02 -1.26 -5.09 117.16 124.24 2jql n TYR 31 Ca 0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.90 2jql n TYR 31 Cb 0.49 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.64 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 1.10 -0.07 -0.19 -0.72 -4.23 -1.26 -5.02 115.64 105.26 2jql s THR 32 Ca 0.00 0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2jql s THR 32 Cb 0.00 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.71 2jql s THR 32 CO 0.00 0.10 1.73 0.00 -0.54 0.00 0.00 174.62 175.91 2jql n LEU 34 N 8.73 2.93 -3.96 0.00 -0.00 -1.22 -4.98 117.00 118.49 2jql n LEU 34 Ca 0.20 -0.01 -0.11 0.00 -0.00 0.00 0.00 56.01 56.09 2jql n LEU 34 Cb 0.45 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.78 2jql n LEU 34 CO 0.65 0.52 0.30 -0.83 -0.00 0.00 0.00 177.39 178.03 2jql s GLY 35 N -4.17 0.81 0.06 -3.96 0.00 -1.17 -0.94 107.32 97.95 2jql s GLY 35 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2jql s GLY 35 CO 0.05 -0.63 -0.04 0.30 0.00 0.00 0.00 173.10 172.77 2jql s HIS 36 N -3.09 0.60 -0.18 1.90 3.76 -0.96 -1.16 115.29 116.16 2jql s HIS 36 Ca 0.23 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2jql s HIS 36 Cb -0.02 -0.40 0.02 0.00 1.11 0.00 0.00 32.58 33.29 2jql s HIS 36 CO 0.14 -0.27 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.06 2jql s LEU 37 N -2.67 2.19 -0.26 0.89 1.43 0.28 -3.00 118.68 117.53 2jql s LEU 37 Ca 0.04 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 2jql s LEU 37 Cb 0.04 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2jql s LEU 37 CO -0.07 -0.01 0.16 -0.69 0.23 0.00 0.00 176.35 175.98 2jql s VAL 38 N 1.28 5.18 -0.10 -1.59 1.01 -1.06 0.11 120.40 125.23 2jql s VAL 38 Ca 0.04 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2jql s VAL 38 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2jql s VAL 38 CO -0.13 0.30 0.55 0.20 0.00 0.00 0.00 175.10 176.02 2jql s ASN 39 N 1.49 6.79 -0.46 3.32 -0.87 0.21 -1.40 114.94 124.02 2jql s ASN 39 Ca 0.07 0.94 -0.16 0.00 -1.57 0.00 0.00 52.86 52.14 2jql s ASN 39 Cb -0.15 -2.33 0.05 0.00 -0.02 0.00 0.00 41.25 38.81 2jql s ASN 39 CO 0.08 -0.04 0.40 -0.76 -2.57 0.00 0.00 177.10 174.22 2jql s LEU 40 N 0.67 5.36 -0.07 0.60 1.43 -0.46 -1.97 118.68 124.23 2jql s LEU 40 Ca 0.30 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 2jql s LEU 40 Cb -0.16 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2jql s LEU 40 CO 0.13 -0.62 -0.19 -0.63 0.23 0.00 0.00 176.35 175.27 2jql s ILE 41 N 1.81 1.63 -0.87 -0.59 1.09 -1.19 -4.71 121.20 118.38 2jql s ILE 41 Ca 0.06 -0.80 -0.23 0.00 -1.10 0.00 0.00 60.65 58.58 2jql s ILE 41 Cb -0.22 -1.41 -0.18 0.00 -1.06 0.00 0.00 42.46 39.58 2jql s ILE 41 CO 0.09 0.46 2.21 -2.65 -0.10 0.00 0.00 174.94 174.95 2jql n PRO 42 N 3.37 0.31 0.00 2.79 -0.02 -1.26 -1.16 135.00 139.04 2jql n PRO 42 Ca -0.19 -1.05 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 2jql n PRO 42 Cb 0.53 -3.43 0.00 0.00 -0.02 0.00 0.00 33.50 30.58 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 6.34 1.05 3.65 -1.23 0.00 -1.26 -5.12 105.19 108.61 2jql n GLY 43 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 2jql n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s LYS 44 N 0.00 0.03 0.35 1.61 0.00 -0.31 -5.18 119.74 116.25 2jql s LYS 44 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 55.97 56.03 2jql s LYS 44 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 37.83 37.84 2jql s LYS 44 CO 0.00 -0.01 0.50 -1.21 0.00 0.00 0.00 175.35 174.63 2jql s GLU 45 N -0.99 3.11 -0.06 1.78 8.01 -1.26 -3.19 118.70 126.10 2jql s GLU 45 Ca 0.09 -0.92 -0.02 0.00 0.01 0.00 0.00 54.97 54.13 2jql s GLU 45 Cb -0.01 -2.78 0.04 0.00 -4.31 0.00 0.00 34.13 27.07 2jql s GLU 45 CO -0.09 0.01 0.10 -1.14 0.01 0.00 0.00 175.26 174.16 2jql s GLN 46 N -4.24 -0.01 -0.13 1.61 -0.44 -0.83 -4.95 119.66 110.66 2jql s GLN 46 Ca 0.45 0.42 -0.15 0.00 -2.50 0.00 0.00 55.36 53.58 2jql s GLN 46 Cb -0.10 -0.35 -0.05 0.00 -1.64 0.00 0.00 33.01 30.88 2jql s GLN 46 CO 0.32 -0.28 0.34 0.21 0.50 0.00 0.00 175.29 176.38 2jql s LYS 47 N 1.94 4.21 -0.00 1.67 2.20 -1.26 0.64 119.74 129.13 2jql s LYS 47 Ca 0.01 0.20 0.08 0.00 -0.36 0.00 0.00 55.97 55.90 2jql s LYS 47 Cb -0.12 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2jql s LYS 47 CO -0.04 0.29 -0.26 0.08 -0.36 0.00 0.00 175.35 175.06 2jql s VAL 48 N 0.28 2.09 -0.23 4.02 1.01 0.29 -4.93 120.40 122.92 2jql s VAL 48 Ca 0.19 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 2jql s VAL 48 Cb -0.14 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2jql s VAL 48 CO 0.06 0.52 0.34 -0.70 0.00 0.00 0.00 175.10 175.33 2jql s GLU 49 N -0.79 4.10 -0.10 2.72 2.12 -1.26 0.98 118.70 126.46 2jql s GLU 49 Ca 0.11 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.51 2jql s GLU 49 Cb -0.10 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 2jql s GLU 49 CO -0.00 -0.11 -0.17 -1.50 -0.54 0.00 0.00 175.26 172.94 2jql s ILE 50 N 1.55 2.72 0.43 -3.70 2.07 -0.31 -4.93 121.20 119.02 2jql s ILE 50 Ca 0.15 -0.80 0.06 0.00 -1.41 0.00 0.00 60.65 58.65 2jql s ILE 50 Cb -0.15 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.35 2jql s ILE 50 CO 0.08 0.55 0.59 0.42 -1.91 0.00 0.00 174.94 174.67 2jql s THR 51 N 0.13 3.32 0.00 4.00 -4.23 -1.26 -3.02 115.64 114.58 2jql s THR 51 Ca -0.09 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2jql s THR 51 Cb -0.15 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2jql s THR 51 CO 0.05 -0.07 0.00 0.59 -0.54 0.00 0.00 174.62 174.65 2jql n ASN 52 N -1.91 0.00 0.00 3.99 3.02 -1.12 -4.83 115.26 114.41 2jql n ASN 52 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2jql n ASN 52 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.00 0.00 0.00 3.52 0.63 -1.26 -4.01 116.66 115.54 2jql n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jql n ARG 53 Cb 0.00 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.16 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 -4.00 6.15 2.85 -0.80 -4.80 115.26 114.67 2jql n ASN 54 Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 2jql n ASN 54 Cb 0.00 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 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 0.49 -0.08 3.44 1.01 -1.26 -0.92 120.40 123.08 2jql s VAL 55 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2jql s VAL 55 Cb 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2jql s VAL 55 CO 0.00 -0.00 -0.17 -0.89 0.00 0.00 0.00 175.10 174.04 2jql s THR 56 N -0.46 1.52 -0.10 3.92 2.01 0.50 -4.82 115.64 118.20 2jql s THR 56 Ca -0.01 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 2jql s THR 56 Cb -0.04 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jql s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jql s THR 57 N 0.58 4.83 -0.09 -0.82 -4.23 -1.26 -1.17 115.64 113.47 2jql s THR 57 Ca -0.15 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 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 0.05 0.61 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.02 2jql s ILE 58 N -0.95 0.97 -0.03 2.99 1.01 -0.94 0.17 121.20 124.42 2jql s ILE 58 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2jql s ILE 58 Cb -0.12 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.40 2jql s ILE 58 CO 0.03 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2jql n GLY 59 N 4.44 -0.82 0.01 6.18 0.00 -1.01 -3.01 105.19 110.97 2jql n GLY 59 Ca -0.17 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.75 2jql n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jql n ARG 60 N 0.00 0.41 -1.26 1.61 5.12 -1.23 -2.10 116.66 119.21 2jql n ARG 60 Ca 0.00 -0.09 -0.35 0.00 -1.93 0.00 0.00 57.85 55.47 2jql n ARG 60 Cb 0.00 -1.25 0.09 0.00 -1.16 0.00 0.00 32.46 30.14 2jql n ARG 60 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jql n SER 61 N -1.89 -0.05 0.06 0.55 2.88 -1.26 -4.92 113.62 108.97 2jql n SER 61 Ca -0.03 0.61 -0.13 0.00 -1.33 0.00 0.00 58.87 58.00 2jql n SER 61 Cb 0.30 -1.36 -0.04 0.00 -0.75 0.00 0.00 64.21 62.37 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 -0.45 0.46 0.00 -1.46 2.43 -1.98 -3.13 114.38 110.25 2jql h ARG 62 Ca -0.46 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.23 2jql h ARG 62 Cb 1.33 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2jql h ARG 62 CO 0.45 1.10 -0.09 0.77 -1.51 0.00 0.00 179.97 180.69 2jql h SER 63 N 0.27 0.00 -3.36 -3.80 0.02 -2.00 -3.45 113.55 101.23 2jql h SER 63 Ca -0.07 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.31 2jql h SER 63 Cb 1.51 0.00 0.18 0.00 0.14 0.00 0.00 62.40 64.23 2jql h SER 63 CO 0.16 0.09 -0.18 0.00 -1.14 0.00 0.00 176.83 175.76 2jql h ASP 65 N -0.03 -0.38 -3.27 0.00 5.19 0.13 -3.44 116.42 114.62 2jql h ASP 65 Ca -0.47 -0.17 -0.68 0.00 -0.62 0.00 0.00 57.03 55.10 2jql h ASP 65 Cb 1.36 0.10 -0.33 0.00 0.18 0.00 0.00 39.33 40.64 2jql h ASP 65 CO 0.46 0.04 -0.87 -0.69 -3.12 0.00 0.00 179.24 175.07 2jql s VAL 66 N -4.16 2.13 -0.53 -1.35 1.01 0.32 -4.94 120.40 112.88 2jql s VAL 66 Ca -0.13 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 2jql s VAL 66 Cb 0.01 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2jql s VAL 66 CO 0.47 0.55 0.72 0.27 0.00 0.00 0.00 175.10 177.11 2jql s ILE 67 N 0.58 4.73 1.09 2.22 -5.25 -1.26 -2.42 121.20 120.89 2jql s ILE 67 Ca -0.12 -0.34 -0.14 0.00 -0.99 0.00 0.00 60.65 59.05 2jql s ILE 67 Cb -0.17 -4.39 0.18 0.00 2.95 0.00 0.00 42.46 41.04 2jql s ILE 67 CO 0.03 -0.94 0.67 0.18 -1.79 0.00 0.00 174.94 173.09 2jql n LEU 68 N 6.57 -0.80 -2.75 0.37 4.77 -0.89 -4.88 117.00 119.39 2jql n LEU 68 Ca -0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.61 2jql n LEU 68 Cb 0.46 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2jql n LEU 68 CO 0.57 -3.11 1.62 -1.20 -1.33 0.00 0.00 177.39 173.94 2jql n SER 69 N -3.44 6.96 -3.94 -1.43 7.64 -1.26 -4.89 113.62 113.26 2jql n SER 69 Ca 0.04 -3.42 -0.24 0.00 1.01 0.00 0.00 58.87 56.26 2jql n SER 69 Cb 0.56 -1.19 -0.17 0.00 -1.01 0.00 0.00 64.21 62.40 2jql n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jql s GLU 70 N -2.54 1.34 0.23 1.43 2.02 -1.26 -4.92 118.70 115.01 2jql s GLU 70 Ca 0.56 -0.25 0.21 0.00 0.02 0.00 0.00 54.97 55.50 2jql s GLU 70 Cb 0.38 -1.28 0.93 0.00 0.10 0.00 0.00 34.13 34.26 2jql s GLU 70 CO -0.27 -0.11 1.63 -0.35 0.02 0.00 0.00 175.26 176.17 2jql n PRO 71 N 4.31 0.15 -2.71 0.39 -0.04 -1.26 -3.10 135.00 132.73 2jql n PRO 71 Ca -0.19 0.46 -0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2jql n PRO 71 Cb 0.51 -1.83 0.04 0.00 -0.04 0.00 0.00 33.50 32.18 2jql n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jql n ASP 72 N -2.11 1.76 -4.82 3.54 8.00 -1.26 -5.10 116.55 116.55 2jql n ASP 72 Ca 0.01 -2.50 -0.34 0.00 0.71 0.00 0.00 54.79 52.67 2jql n ASP 72 Cb 0.16 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.57 4.51 0.24 0.53 1.10 -1.18 -5.00 121.20 117.83 2jql s ILE 73 Ca 0.29 1.30 -0.31 0.00 -0.51 0.00 0.00 60.65 61.41 2jql s ILE 73 Cb 0.40 -3.73 -0.12 0.00 0.15 0.00 0.00 42.46 39.16 2jql s ILE 73 CO -0.00 -0.07 1.68 -0.24 -2.11 0.00 0.00 174.94 174.19 2jql n SER 74 N -0.02 3.96 -0.27 4.50 2.88 -1.26 -4.09 113.62 119.32 2jql n SER 74 Ca 0.03 1.10 -0.06 0.00 -1.33 0.00 0.00 58.87 58.60 2jql n SER 74 Cb 0.52 -1.59 0.06 0.00 -0.75 0.00 0.00 64.21 62.45 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2jql h THR 75 N 3.62 1.26 -0.61 2.46 2.02 -1.92 -2.55 112.91 117.18 2jql h THR 75 Ca -0.45 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2jql h THR 75 Cb 1.21 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2jql h THR 75 CO 0.89 0.34 0.00 0.49 0.37 0.00 0.00 175.52 177.61 2jql n PHE 76 N -4.30 1.30 0.00 3.16 3.01 -1.26 -4.23 117.46 115.14 2jql n PHE 76 Ca 0.06 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.92 2jql n PHE 76 Cb 0.20 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 1.05 0.00 -3.96 1.38 -0.00 -0.96 -4.38 115.22 108.35 2jql n HIS 77 Ca 0.24 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.33 2jql n HIS 77 Cb 0.82 -0.03 -0.08 0.00 -0.12 0.00 0.00 29.99 30.58 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 -3.01 0.10 -0.05 1.57 0.00 -1.17 -0.50 121.76 118.71 2jql s ALA 78 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2jql s ALA 78 Cb 0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2jql s ALA 78 CO 0.00 -0.54 0.03 -1.21 0.00 0.00 0.00 175.76 174.05 2jql s GLU 79 N -3.93 0.17 -0.09 0.00 8.01 -0.84 -2.21 118.70 119.82 2jql s GLU 79 Ca 0.12 0.24 0.04 0.00 0.01 0.00 0.00 54.97 55.38 2jql s GLU 79 Cb 0.05 -0.61 -0.00 0.00 -4.31 0.00 0.00 34.13 29.26 2jql s GLU 79 CO -0.05 -0.28 -0.23 -0.06 0.01 0.00 0.00 175.26 174.65 2jql s PHE 80 N 1.84 2.57 -0.33 1.61 0.40 -0.32 -1.37 117.98 122.38 2jql s PHE 80 Ca 0.01 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.25 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 -0.03 -0.35 0.46 -1.01 0.70 0.00 0.00 175.22 174.98 2jql s HIS 81 N 0.22 3.20 -0.37 0.36 3.76 -0.92 0.19 115.29 121.74 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 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.77 2jql s HIS 81 CO 0.07 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.52 2jql s LEU 82 N 2.25 4.61 -0.02 0.89 2.96 -0.09 -1.94 118.68 127.34 2jql s LEU 82 Ca 0.17 -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 -0.22 -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 -1.18 -1.90 118.68 118.38 2jql s LEU 83 Ca 0.01 -0.42 -0.13 0.00 0.69 0.00 0.00 54.13 54.28 2jql s LEU 83 Cb -0.20 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 2jql s LEU 83 CO 0.05 0.28 0.27 0.00 -0.29 0.00 0.00 176.35 176.66 2jql s GLN 84 N -0.55 4.00 -0.19 1.98 -2.07 -1.26 -3.02 119.66 118.55 2jql s GLN 84 Ca 0.09 -0.15 -0.02 0.00 -1.82 0.00 0.00 55.36 53.46 2jql s GLN 84 Cb -0.09 -3.64 -0.00 0.00 -1.09 0.00 0.00 33.01 28.19 2jql s GLN 84 CO -0.01 -0.18 -0.10 1.41 -1.32 0.00 0.00 175.29 175.09 2jql s MET 85 N 1.76 3.28 -0.33 9.60 1.75 -0.88 -5.04 119.30 129.44 2jql s MET 85 Ca 0.11 -0.69 -0.14 0.00 -1.25 0.00 0.00 55.69 53.72 2jql s MET 85 Cb -0.16 -2.83 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 2jql s MET 85 CO 0.10 -0.13 0.32 0.16 -0.65 0.00 0.00 175.02 174.81 2jql s ASP 86 N 1.24 6.14 -0.02 1.11 -4.77 -1.26 -1.28 116.67 117.83 2jql s ASP 86 Ca 0.03 -0.23 -0.00 0.00 -3.30 0.00 0.00 52.55 49.04 2jql s ASP 86 Cb -0.14 -2.18 0.03 0.00 -1.09 0.00 0.00 42.92 39.54 2jql s ASP 86 CO -0.04 -0.28 0.04 0.54 0.70 0.00 0.00 175.17 176.13 2jql s VAL 87 N 1.92 -0.07 0.00 2.11 0.11 -1.23 -4.97 120.40 118.27 2jql s VAL 87 Ca 0.10 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2jql s VAL 87 Cb -0.17 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 2jql s VAL 87 CO 0.11 0.11 0.00 -0.67 -3.33 0.00 0.00 175.10 171.32 2jql n ASP 88 N 4.40 -3.61 0.01 3.54 2.03 -1.26 -4.02 116.55 117.64 2jql n ASP 88 Ca -0.23 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 54.96 2jql n ASP 88 Cb 0.50 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2jql n ASP 88 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2jql h ASN 89 N 0.00 -1.32 -3.09 1.67 -0.73 -2.04 -3.43 115.58 106.64 2jql h ASN 89 Ca 0.00 0.15 -0.19 0.00 1.87 0.00 0.00 56.30 58.14 2jql h ASN 89 Cb 0.00 0.51 0.07 0.00 0.27 0.00 0.00 38.32 39.17 2jql h ASN 89 CO 0.00 -0.39 0.15 0.49 -0.37 0.00 0.00 177.43 177.31 2jql n PHE 90 N -4.78 -3.82 -4.40 0.67 3.01 -1.26 -5.11 117.46 101.77 2jql n PHE 90 Ca -0.05 -0.55 -0.19 0.00 1.01 0.00 0.00 57.45 57.66 2jql n PHE 90 Cb 0.30 -0.41 -0.14 0.00 -0.01 0.00 0.00 39.48 39.22 2jql n PHE 90 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2jql s GLN 91 N -4.08 0.84 -0.03 -1.08 -2.07 -1.26 -3.49 119.66 108.49 2jql s GLN 91 Ca 0.31 -0.47 0.06 0.00 -1.82 0.00 0.00 55.36 53.44 2jql s GLN 91 Cb -0.01 -0.81 -0.02 0.00 -1.09 0.00 0.00 33.01 31.08 2jql s GLN 91 CO 0.22 0.21 -0.20 1.03 -1.32 0.00 0.00 175.29 175.23 2jql s ARG 92 N -0.51 2.29 0.10 9.60 1.81 -0.40 -4.95 118.95 126.89 2jql s ARG 92 Ca 0.03 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.29 2jql s ARG 92 Cb -0.05 -2.21 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2jql s ARG 92 CO -0.00 0.59 -0.13 -0.80 -0.68 0.00 0.00 175.30 174.28 2jql s ASN 93 N -0.72 4.22 -0.03 0.23 -0.87 -1.26 -2.07 114.94 114.45 2jql s ASN 93 Ca 0.11 -0.43 0.04 0.00 -1.57 0.00 0.00 52.86 51.01 2jql s ASN 93 Cb -0.10 -0.75 -0.00 0.00 -0.02 0.00 0.00 41.25 40.37 2jql s ASN 93 CO 0.00 0.19 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.81 2jql s LEU 94 N -2.11 1.92 -0.01 0.60 2.01 -1.17 -4.97 118.68 114.95 2jql s LEU 94 Ca 0.20 -0.29 0.07 0.00 0.01 0.00 0.00 54.13 54.13 2jql s LEU 94 Cb -0.11 -0.81 -0.02 0.00 0.01 0.00 0.00 46.19 45.26 2jql s LEU 94 CO 0.12 0.14 -0.24 -0.63 1.01 0.00 0.00 176.35 176.76 2jql s ILE 95 N -0.05 2.29 0.02 -0.59 -1.09 -1.11 -3.10 121.20 117.57 2jql s ILE 95 Ca -0.00 -1.11 0.06 0.00 -2.23 0.00 0.00 60.65 57.37 2jql s ILE 95 Cb -0.09 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2jql s ILE 95 CO 0.01 0.52 -0.16 0.21 -1.23 0.00 0.00 174.94 174.30 2jql s ASN 96 N -0.81 3.96 -0.14 3.58 2.47 -0.82 0.12 114.94 123.31 2jql s ASN 96 Ca 0.11 -0.34 -0.02 0.00 0.42 0.00 0.00 52.86 53.03 2jql s ASN 96 Cb -0.10 -0.72 -0.02 0.00 -1.45 0.00 0.00 41.25 38.95 2jql s ASN 96 CO 0.00 0.27 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.88 2jql s VAL 97 N -0.90 3.44 -0.11 -5.21 1.01 0.72 -2.17 120.40 117.18 2jql s VAL 97 Ca 0.15 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2jql s VAL 97 Cb -0.11 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2jql s VAL 97 CO 0.05 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 2jql s ILE 98 N 0.30 0.97 -0.03 2.22 1.01 -0.47 -2.91 121.20 122.29 2jql s ILE 98 Ca -0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 2jql s ILE 98 Cb -0.15 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2jql s ILE 98 CO 0.04 0.36 0.38 -0.62 0.00 0.00 0.00 174.94 175.10 2jql s ASP 99 N 1.65 6.74 -0.07 3.58 -1.08 -1.26 -1.98 116.67 124.25 2jql s ASP 99 Ca 0.03 0.88 0.03 0.00 -0.52 0.00 0.00 52.55 52.97 2jql s ASP 99 Cb -0.13 -2.23 0.08 0.00 -1.46 0.00 0.00 42.92 39.18 2jql s ASP 99 CO -0.07 0.31 0.70 2.29 0.52 0.00 0.00 175.17 178.92 2jql n LYS 100 N 2.01 0.26 -2.34 4.34 2.85 -1.11 -4.98 118.16 119.18 2jql n LYS 100 Ca -0.14 -0.24 -0.26 0.00 -1.05 0.00 0.00 58.31 56.62 2jql n LYS 100 Cb 0.53 0.09 0.16 0.00 -0.65 0.00 0.00 35.03 35.15 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jql s SER 101 N -0.22 3.62 -0.20 -5.58 0.01 0.35 -4.23 113.70 107.45 2jql s SER 101 Ca 0.02 -0.24 0.12 0.00 1.31 0.00 0.00 55.95 57.16 2jql s SER 101 Cb 0.09 0.10 0.40 0.00 0.21 0.00 0.00 66.02 66.82 2jql s SER 101 CO -0.03 -2.37 1.21 0.54 0.41 0.00 0.00 173.24 173.01 2jql n ARG 102 N -3.29 1.55 0.16 12.44 1.74 -1.26 -4.81 116.66 123.18 2jql n ARG 102 Ca 0.17 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 2jql n ARG 102 Cb 0.60 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jql n ASN 103 N -1.15 -1.84 0.00 0.55 3.02 -1.26 -5.03 115.26 109.55 2jql n ASN 103 Ca 0.19 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 2jql n ASN 103 Cb 0.69 1.85 0.00 0.00 -0.61 0.00 0.00 39.78 41.71 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 0.03 2.87 3.03 7.41 0.00 -1.26 -5.04 105.19 112.22 2jql n GLY 104 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.57 1.48 -0.20 2.61 2.01 -1.26 -0.60 115.64 119.11 2jql s THR 105 Ca 0.00 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2jql s THR 105 Cb 0.00 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.17 2jql s THR 105 CO 0.00 0.44 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.85 2jql s PHE 106 N 1.24 2.77 -0.04 4.92 0.40 -0.73 -4.10 117.98 122.44 2jql s PHE 106 Ca -0.01 -1.74 0.06 0.00 -0.60 0.00 0.00 56.93 54.64 2jql s PHE 106 Cb -0.14 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2jql s PHE 106 CO -0.06 -0.80 -0.22 -1.50 0.70 0.00 0.00 175.22 173.35 2jql s ILE 107 N 1.29 1.75 -1.95 0.64 1.10 -1.03 -1.84 121.20 121.15 2jql s ILE 107 Ca 0.01 -0.92 0.00 0.00 -0.51 0.00 0.00 60.65 59.24 2jql s ILE 107 Cb -0.15 -1.47 0.00 0.00 0.15 0.00 0.00 42.46 40.99 2jql s ILE 107 CO -0.10 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.81 2jql n ASN 108 N 2.84 -5.71 -0.21 4.50 5.03 -1.11 -1.10 115.26 119.49 2jql n ASN 108 Ca -0.17 0.21 -0.03 0.00 0.87 0.00 0.00 54.58 55.46 2jql n ASN 108 Cb 0.52 -4.85 -0.01 0.00 -1.02 0.00 0.00 39.78 34.42 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 -0.77 0.53 3.06 7.41 0.00 -1.26 -5.00 105.19 109.16 2jql n GLY 109 Ca -0.23 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 1.29 0.34 1.61 0.01 -0.26 -5.14 114.94 110.51 2jql s ASN 110 Ca 0.00 -0.24 -0.27 0.00 -0.71 0.00 0.00 52.86 51.64 2jql s ASN 110 Cb 0.00 -0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.44 2jql s ASN 110 CO 0.00 0.11 1.06 -0.60 -1.51 0.00 0.00 177.10 176.16 2jql s ARG 111 N -0.42 4.42 0.10 -0.60 6.06 -1.26 -2.47 118.95 124.78 2jql s ARG 111 Ca 0.03 1.64 -0.31 0.00 -2.50 0.00 0.00 55.73 54.59 2jql s ARG 111 Cb -0.05 -2.87 -0.07 0.00 0.06 0.00 0.00 34.95 32.02 2jql s ARG 111 CO -0.00 0.06 1.33 -0.51 -2.50 0.00 0.00 175.30 173.68 2jql s LEU 112 N -2.03 4.37 -0.03 -0.88 2.01 -1.26 -4.91 118.68 115.95 2jql s LEU 112 Ca 0.51 2.24 0.24 0.00 0.01 0.00 0.00 54.13 57.13 2jql s LEU 112 Cb -0.27 -3.58 0.42 0.00 0.01 0.00 0.00 46.19 42.77 2jql s LEU 112 CO 0.34 -0.60 1.16 1.33 1.01 0.00 0.00 176.35 179.59 2jql n VAL 113 N 3.91 0.15 -3.58 -1.59 0.24 -1.26 -5.10 118.33 111.11 2jql n VAL 113 Ca 0.11 -1.18 -0.07 0.00 -2.04 0.00 0.00 64.34 61.15 2jql n VAL 113 Cb 0.43 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 2jql n VAL 113 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jql s LYS 114 N -0.46 0.46 0.44 7.34 2.47 -1.26 -5.18 119.74 123.56 2jql s LYS 114 Ca 0.31 -0.06 0.05 0.00 -1.56 0.00 0.00 55.97 54.72 2jql s LYS 114 Cb 0.36 0.21 0.01 0.00 -1.46 0.00 0.00 37.83 36.96 2jql s LYS 114 CO -0.15 -0.18 0.62 0.15 0.16 0.00 0.00 175.35 175.96 2jql s LYS 115 N -1.97 2.83 -1.12 4.03 1.02 -1.26 -4.62 119.74 118.65 2jql s LYS 115 Ca 0.05 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 2jql s LYS 115 Cb -0.01 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2jql s LYS 115 CO -0.04 -0.33 0.96 -3.47 -0.92 0.00 0.00 175.35 171.54 2jql n ASP 116 N -1.98 -4.48 -4.77 2.83 -0.08 -1.26 -4.97 116.55 101.83 2jql n ASP 116 Ca 0.06 -0.67 -0.39 0.00 -1.51 0.00 0.00 54.79 52.27 2jql n ASP 116 Cb 0.59 -5.17 -0.06 0.00 2.34 0.00 0.00 41.12 38.82 2jql n ASP 116 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2jql s TYR 117 N -3.38 3.89 -0.31 -0.67 1.51 -1.15 -4.92 117.35 112.32 2jql s TYR 117 Ca 0.24 1.63 -0.14 0.00 -1.01 0.00 0.00 57.07 57.80 2jql s TYR 117 Cb -0.03 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 2jql s TYR 117 CO 0.74 0.49 0.29 -1.50 -1.11 0.00 0.00 175.55 174.45 2jql s ILE 118 N -1.02 5.23 -0.13 2.71 1.10 -1.26 -0.20 121.20 127.63 2jql s ILE 118 Ca 0.36 0.09 -0.06 0.00 -0.51 0.00 0.00 60.65 60.54 2jql s ILE 118 Cb -0.23 -3.70 -0.04 0.00 0.15 0.00 0.00 42.46 38.64 2jql s ILE 118 CO 0.26 0.05 0.08 -0.22 -2.11 0.00 0.00 174.94 173.00 2jql s LEU 119 N 1.89 3.99 -0.13 8.50 0.20 0.32 -4.92 118.68 128.52 2jql s LEU 119 Ca 0.10 0.26 0.02 0.00 0.69 0.00 0.00 54.13 55.20 2jql s LEU 119 Cb -0.17 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.63 2jql s LEU 119 CO 0.11 0.34 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.78 2jql s LYS 120 N -0.60 3.15 0.17 1.98 1.02 -1.26 -2.76 119.74 121.44 2jql s LYS 120 Ca 0.11 -0.80 -0.33 0.00 0.02 0.00 0.00 55.97 54.97 2jql s LYS 120 Cb -0.12 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.55 2jql s LYS 120 CO 0.02 0.07 1.48 0.09 -0.92 0.00 0.00 175.35 176.09 2jql n ASN 121 N 3.87 2.72 0.00 2.83 5.03 -1.26 -4.03 115.26 124.41 2jql n ASN 121 Ca -0.19 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.37 2jql n ASN 121 Cb 0.52 -1.38 0.00 0.00 -1.02 0.00 0.00 39.78 37.90 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 122 N 2.88 0.98 3.19 7.41 0.00 0.38 -4.81 105.19 115.22 2jql n GLY 122 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.81 0.22 -0.23 1.61 1.01 -1.14 -5.00 116.67 111.33 2jql s ASP 123 Ca 0.00 -1.34 -0.13 0.00 0.71 0.00 0.00 52.55 51.80 2jql s ASP 123 Cb 0.00 0.35 -0.05 0.00 1.01 0.00 0.00 42.92 44.23 2jql s ASP 123 CO 0.00 -0.80 0.25 -0.13 0.21 0.00 0.00 175.17 174.70 2jql s ARG 124 N -4.12 4.10 -0.18 8.23 3.00 -1.26 -2.17 118.95 126.54 2jql s ARG 124 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 55.73 55.96 2jql s ARG 124 Cb 0.07 -3.55 -0.00 0.00 0.00 0.00 0.00 34.95 31.47 2jql s ARG 124 CO 0.09 -0.00 -0.11 0.42 0.00 0.00 0.00 175.30 175.70 2jql s ILE 125 N 1.23 2.92 -0.11 1.52 1.01 0.23 -2.76 121.20 125.24 2jql s ILE 125 Ca 0.12 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2jql s ILE 125 Cb -0.14 -2.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 2jql s ILE 125 CO 0.06 0.48 -0.21 -0.69 0.00 0.00 0.00 174.94 174.59 2jql s VAL 126 N 1.10 2.32 -0.11 2.92 1.01 -0.76 -1.21 120.40 125.67 2jql s VAL 126 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2jql s VAL 126 Cb -0.14 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2jql s VAL 126 CO -0.03 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 2jql s PHE 127 N 0.40 2.59 0.00 5.22 0.08 -0.15 -1.78 117.98 124.34 2jql s PHE 127 Ca -0.16 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.74 2jql s PHE 127 Cb -0.17 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2jql s PHE 127 CO 0.07 -0.49 0.00 0.41 -0.10 0.00 0.00 175.22 175.11 2jql n GLY 128 N 3.73 2.05 0.00 4.36 0.00 0.23 -3.42 105.19 112.15 2jql n GLY 128 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.71 118.16 116.54 2jql n LYS 129 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 2jql n LYS 129 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 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 1.94 -4.52 -5.58 3.41 -1.25 -4.88 113.62 102.73 2jql n SER 130 Ca 0.00 0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 58.57 2jql n SER 130 Cb 0.00 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.08 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 10.34 3.41 0.04 0.00 0.01 -1.26 -0.98 113.70 125.25 2jql s SER 132 Ca 1.10 -0.91 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 2jql s SER 132 Cb -0.58 -1.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 2jql s SER 132 CO 0.37 -0.16 0.04 0.72 0.41 0.00 0.00 173.24 174.61 2jql s PHE 133 N 1.42 0.30 -0.17 2.43 -0.71 -0.35 -1.35 117.98 119.54 2jql s PHE 133 Ca -0.02 -0.67 -0.02 0.00 -1.04 0.00 0.00 56.93 55.18 2jql s PHE 133 Cb -0.16 -0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 2jql s PHE 133 CO -0.08 -0.34 -0.08 -1.17 -1.34 0.00 0.00 175.22 172.21 2jql s LEU 134 N -2.25 2.89 -0.04 -1.99 0.20 -0.49 0.78 118.68 117.78 2jql s LEU 134 Ca -0.03 -0.32 -0.11 0.00 0.69 0.00 0.00 54.13 54.35 2jql s LEU 134 Cb -0.00 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 44.01 2jql s LEU 134 CO -0.06 0.08 0.30 0.12 -0.29 0.00 0.00 176.35 176.51 2jql s PHE 135 N 0.85 3.67 0.07 5.38 5.36 -0.92 -2.57 117.98 129.81 2jql s PHE 135 Ca -0.02 0.79 -0.20 0.00 -0.96 0.00 0.00 56.93 56.54 2jql s PHE 135 Cb -0.15 -2.14 0.05 0.00 -0.34 0.00 0.00 43.02 40.44 2jql s PHE 135 CO 0.01 0.67 0.47 0.21 -1.46 0.00 0.00 175.22 175.12 2jql s LYS 136 N -1.16 1.02 0.34 10.12 2.20 -1.16 0.14 119.74 131.25 2jql s LYS 136 Ca 0.21 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.18 2jql s LYS 136 Cb -0.15 0.46 -0.10 0.00 -1.51 0.00 0.00 37.83 36.54 2jql s LYS 136 CO 0.11 -0.38 1.23 0.71 -0.36 0.00 0.00 175.35 176.66 2jql s TYR 137 N -2.77 3.14 -0.20 4.03 2.02 -1.26 -2.27 117.35 120.04 2jql s TYR 137 Ca -0.03 1.51 -0.29 0.00 -0.37 0.00 0.00 57.07 57.88 2jql s TYR 137 Cb -0.00 -3.53 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 2jql s TYR 137 CO -0.04 -1.48 1.43 0.00 -1.57 0.00 0.00 175.55 173.88 2jql s ALA 138 N -1.22 3.47 -0.13 3.71 0.00 -0.12 -4.79 121.76 122.68 2jql s ALA 138 Ca 0.51 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 2jql s ALA 138 Cb -0.36 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.00 2jql s ALA 138 CO 0.47 -1.57 0.79 -1.12 0.00 0.00 0.00 175.76 174.32 2jql s SER 139 N 3.00 6.97 -0.46 0.00 0.01 -1.26 -4.88 113.70 117.08 2jql s SER 139 Ca 0.62 1.18 0.02 0.00 1.31 0.00 0.00 55.95 59.09 2jql s SER 139 Cb -0.23 -2.44 0.14 0.00 0.21 0.00 0.00 66.02 63.70 2jql s SER 139 CO 0.23 -0.30 0.26 -0.55 0.41 0.00 0.00 173.24 173.30 2jql s SER 140 N 1.05 3.57 0.01 2.44 0.15 -1.26 -5.10 113.70 114.57 2jql s SER 140 Ca 0.38 -2.75 0.02 0.00 0.70 0.00 0.00 55.95 54.30 2jql s SER 140 Cb -0.17 -1.03 -0.01 0.00 -1.71 0.00 0.00 66.02 63.09 2jql s SER 140 CO 0.15 -0.25 -0.07 -0.55 1.20 0.00 0.00 173.24 173.73 2jql s SER 141 N 0.20 0.75 -0.29 5.45 0.15 -1.26 -5.12 113.70 113.57 2jql s SER 141 Ca 0.19 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.62 2jql s SER 141 Cb -0.21 -0.04 0.20 0.00 -1.71 0.00 0.00 66.02 64.26 2jql s SER 141 CO -0.02 -0.02 0.61 -0.44 1.20 0.00 0.00 173.24 174.56 2jql s SER 142 N -0.65 -1.54 -0.85 5.45 0.01 -1.26 -5.10 113.70 109.76 2jql s SER 142 Ca -0.02 0.36 -0.16 0.00 1.31 0.00 0.00 55.95 57.44 2jql s SER 142 Cb -0.05 2.05 0.18 0.00 0.21 0.00 0.00 66.02 68.41 2jql s SER 142 CO 0.00 -0.28 0.91 0.28 0.41 0.00 0.00 173.24 174.55 2jql s THR 143 N 2.84 5.21 -0.45 1.44 -1.32 -1.26 -5.01 115.64 117.09 2jql s THR 143 Ca 0.13 -2.01 -0.17 0.00 -1.21 0.00 0.00 61.69 58.42 2jql s THR 143 Cb -0.11 -4.59 0.04 0.00 -1.51 0.00 0.00 72.50 66.33 2jql s THR 143 CO -0.25 -1.23 0.48 -0.62 -2.21 0.00 0.00 174.62 170.80 2jql s ASP 144 N 2.85 6.20 0.00 8.08 2.15 -1.26 -5.01 116.67 129.68 2jql s ASP 144 Ca 0.23 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.36 2jql s ASP 144 Cb -0.09 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2jql s ASP 144 CO -0.08 -0.68 0.00 -0.38 -0.17 0.00 0.00 175.17 173.86 2jql n ILE 145 N 5.45 0.00 -3.78 4.11 -0.00 -1.26 -5.10 119.36 118.78 2jql n ILE 145 Ca -0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.31 2jql n ILE 145 Cb 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.97 2jql n ILE 145 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2jql s GLU 146 N 4.27 3.61 -0.09 0.38 2.12 -1.26 -5.08 118.70 122.65 2jql s GLU 146 Ca 0.00 -0.50 -0.06 0.00 0.36 0.00 0.00 54.97 54.77 2jql s GLU 146 Cb 0.00 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 31.15 2jql s GLU 146 CO 0.00 -0.19 0.22 1.21 -0.54 0.00 0.00 175.26 175.96 2jql s ASN 147 N 1.58 -0.22 -0.03 -1.70 2.47 -1.26 -5.16 114.94 110.62 2jql s ASN 147 Ca 0.06 0.45 0.06 0.00 0.42 0.00 0.00 52.86 53.85 2jql s ASN 147 Cb -0.15 0.39 -0.01 0.00 -1.45 0.00 0.00 41.25 40.02 2jql s ASN 147 CO 0.03 -0.12 -0.22 -1.81 -3.72 0.00 0.00 177.10 171.26 2jql s ASP 148 N 0.73 2.58 0.00 -4.21 1.01 -1.26 -4.91 116.67 110.61 2jql s ASP 148 Ca -0.05 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.80 2jql s ASP 148 Cb -0.07 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.44 2jql s ASP 148 CO -0.04 0.25 0.00 -0.90 0.21 0.00 0.00 175.17 174.68 2jql n ASP 149 N 2.70 0.00 -1.98 0.27 5.75 -1.26 -5.06 116.55 116.98 2jql n ASP 149 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 2jql n ASP 149 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2jql n ASP 149 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2jql n GLU 150 N -0.53 -4.35 -0.95 0.11 0.00 -1.26 -4.87 120.64 108.78 2jql n GLU 150 Ca 0.00 3.22 0.13 0.00 0.00 0.00 0.00 57.16 60.51 2jql n GLU 150 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 31.44 27.65 2jql n GLU 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2jql n LYS 151 N 1.51 -1.91 -1.67 5.31 4.81 -1.26 -4.64 118.16 120.31 2jql n LYS 151 Ca 0.00 1.26 -0.43 0.00 -0.87 0.00 0.00 58.31 58.27 2jql n LYS 151 Cb 0.00 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 32.69 2jql n LYS 151 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2jql n VAL 152 N -3.38 0.60 0.00 3.15 0.24 -1.26 -4.68 118.33 113.00 2jql n VAL 152 Ca 0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2jql n VAL 152 Cb 0.43 -2.19 0.00 0.00 -1.47 0.00 0.00 33.84 30.61 2jql n VAL 152 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2jql n SER 153 N 6.73 0.00 -3.67 -1.34 2.88 -1.26 -5.01 113.62 111.94 2jql n SER 153 Ca 0.20 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.46 2jql n SER 153 Cb 0.38 0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 2jql n SER 153 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jql n SER 154 N -2.28 3.11 -3.31 -3.46 7.64 -1.26 -4.96 113.62 109.10 2jql n SER 154 Ca 0.00 -3.26 -0.23 0.00 1.01 0.00 0.00 58.87 56.39 2jql n SER 154 Cb 0.00 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 2jql n SER 154 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jql s GLU 155 N -1.81 0.83 -0.01 1.43 0.41 -1.26 -5.11 118.70 113.18 2jql s GLU 155 Ca 0.31 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 2jql s GLU 155 Cb 0.04 -1.10 0.01 0.00 -1.78 0.00 0.00 34.13 31.30 2jql s GLU 155 CO -0.11 -1.33 -0.01 -1.12 -0.49 0.00 0.00 175.26 172.21 2jql s SER 156 N 0.52 0.25 -0.07 -0.19 0.01 -1.26 -5.14 113.70 107.82 2jql s SER 156 Ca 0.28 -0.02 -0.19 0.00 1.31 0.00 0.00 55.95 57.33 2jql s SER 156 Cb -0.04 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 2jql s SER 156 CO -0.12 -0.02 0.53 -0.13 0.41 0.00 0.00 173.24 173.90 2jql s ARG 157 N 0.34 4.30 1.05 12.44 3.00 -1.26 -5.07 118.95 133.76 2jql s ARG 157 Ca -0.03 0.57 -0.12 0.00 0.00 0.00 0.00 55.73 56.15 2jql s ARG 157 Cb -0.05 -3.39 0.22 0.00 0.00 0.00 0.00 34.95 31.72 2jql s ARG 157 CO -0.01 0.26 1.07 0.45 0.00 0.00 0.00 175.30 177.07 2jql s SER 158 N 0.25 2.11 0.00 0.23 0.15 -1.26 -5.35 113.70 109.83 2jql s SER 158 Ca 0.28 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2jql s SER 158 Cb -0.16 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2jql s SER 158 CO 0.13 -3.47 0.00 -1.22 1.20 0.00 0.00 173.24 169.89