#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 1.70 -0.10 1.97 3.00 -1.26 -5.02 118.95 119.25 2jql s ARG 20 Ca 0.00 0.35 0.22 0.00 0.00 0.00 0.00 55.73 56.30 2jql s ARG 20 Cb 0.00 -1.90 0.45 0.00 0.00 0.00 0.00 34.95 33.50 2jql s ARG 20 CO 0.00 -1.82 1.17 0.94 0.00 0.00 0.00 175.30 175.58 2jql n GLN 21 N -3.52 0.75 -3.70 3.54 7.27 -1.26 -5.05 117.38 115.42 2jql n GLN 21 Ca 0.07 -2.60 -0.11 0.00 0.07 0.00 0.00 57.00 54.43 2jql n GLN 21 Cb 0.59 -0.67 -0.11 0.00 2.41 0.00 0.00 30.24 32.46 2jql n GLN 21 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jql s GLN 22 N -1.41 0.36 0.03 3.69 0.74 -1.26 -5.16 119.66 116.64 2jql s GLN 22 Ca 0.34 0.78 -0.06 0.00 0.05 0.00 0.00 55.36 56.46 2jql s GLN 22 Cb 0.37 -0.01 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 2jql s GLN 22 CO -0.12 -0.17 0.11 0.50 -0.55 0.00 0.00 175.29 175.06 2jql s ARG 23 N 1.50 0.58 0.48 1.67 3.00 -1.26 -5.12 118.95 119.80 2jql s ARG 23 Ca -0.09 -0.69 0.00 0.00 -1.00 0.00 0.00 55.73 53.95 2jql s ARG 23 Cb -0.09 0.23 0.00 0.00 0.00 0.00 0.00 34.95 35.09 2jql s ARG 23 CO -0.12 -0.15 0.00 -1.13 0.00 0.00 0.00 175.30 173.90 2jql n SER 24 N 0.86 -8.15 -4.13 -2.12 3.41 -1.26 -4.77 113.62 97.47 2jql n SER 24 Ca -0.20 1.38 -0.33 0.00 -0.26 0.00 0.00 58.87 59.46 2jql n SER 24 Cb 0.58 -3.89 -0.15 0.00 -0.26 0.00 0.00 64.21 60.49 2jql n SER 24 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2jql s ASN 25 N -6.72 3.80 -0.21 4.04 0.02 -1.26 -5.00 114.94 109.61 2jql s ASN 25 Ca 0.00 -0.92 -0.16 0.00 -1.02 0.00 0.00 52.86 50.76 2jql s ASN 25 Cb 0.00 -1.54 -0.11 0.00 0.02 0.00 0.00 41.25 39.61 2jql s ASN 25 CO 0.00 -0.08 -0.14 1.17 0.02 0.00 0.00 177.10 178.07 2jql n LYS 26 N 4.58 0.54 -0.80 -0.60 4.81 -1.26 -4.99 118.16 120.44 2jql n LYS 26 Ca -0.18 0.41 -0.32 0.00 -0.87 0.00 0.00 58.31 57.35 2jql n LYS 26 Cb 0.47 -1.60 0.15 0.00 0.02 0.00 0.00 35.03 34.06 2jql n LYS 26 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2jql n PRO 27 N -4.43 -0.28 -3.43 1.64 -0.02 -1.26 -5.05 135.00 122.17 2jql n PRO 27 Ca -0.30 -0.02 -0.00 0.00 -2.02 0.00 0.00 63.50 61.16 2jql n PRO 27 Cb 0.62 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.04 0.32 2.55 0.01 -1.26 -5.17 113.70 106.76 2jql s SER 28 Ca 0.66 1.14 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 2jql s SER 28 Cb -0.24 2.06 0.03 0.00 0.21 0.00 0.00 66.02 68.08 2jql s SER 28 CO 0.59 -0.24 0.71 -0.44 0.41 0.00 0.00 173.24 174.27 2jql s SER 29 N 2.83 -0.09 -1.24 2.44 0.01 -1.26 -4.97 113.70 111.41 2jql s SER 29 Ca 0.06 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.41 2jql s SER 29 Cb -0.13 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2jql s SER 29 CO -0.19 -1.45 1.06 -0.62 0.41 0.00 0.00 173.24 172.45 2jql n GLU 30 N -0.48 -7.07 0.00 12.44 1.02 -1.26 -4.98 120.64 120.30 2jql n GLU 30 Ca -0.05 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2jql n GLU 30 Cb 0.60 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 2jql n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jql n TYR 31 N -4.47 0.00 -3.77 -0.32 4.01 -1.26 -4.92 117.16 106.44 2jql n TYR 31 Ca -0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.45 2jql n TYR 31 Cb 0.61 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.49 2jql n TYR 31 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jql s THR 32 N 0.00 -0.06 0.51 -0.72 -4.23 -1.26 -4.97 115.64 104.92 2jql s THR 32 Ca 0.00 0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.50 2jql s THR 32 Cb 0.00 -0.10 -0.06 0.00 1.34 0.00 0.00 72.50 73.68 2jql s THR 32 CO 0.00 0.09 1.38 0.00 -0.54 0.00 0.00 174.62 175.55 2jql n LEU 34 N -0.70 -3.70 -4.34 0.00 -0.00 -1.04 -4.83 117.00 102.38 2jql n LEU 34 Ca 0.09 0.81 -0.18 0.00 -0.00 0.00 0.00 56.01 56.73 2jql n LEU 34 Cb 0.43 3.49 -0.10 0.00 -0.00 0.00 0.00 43.42 47.24 2jql n LEU 34 CO 0.55 0.19 -0.24 -0.83 -0.00 0.00 0.00 177.39 177.06 2jql s GLY 35 N -2.13 1.88 0.13 -3.96 0.00 -1.00 0.10 107.32 102.34 2jql s GLY 35 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 2jql s GLY 35 CO 0.00 -1.62 0.07 0.30 0.00 0.00 0.00 173.10 171.85 2jql s HIS 36 N -3.67 0.80 -0.12 1.90 3.76 -0.62 0.11 115.29 117.44 2jql s HIS 36 Ca 0.37 -1.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2jql s HIS 36 Cb 0.07 -0.44 0.02 0.00 1.11 0.00 0.00 32.58 33.34 2jql s HIS 36 CO 0.15 -0.52 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.87 2jql s LEU 37 N -3.03 1.63 -0.24 0.89 1.43 0.27 -2.94 118.68 116.69 2jql s LEU 37 Ca 0.22 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2jql s LEU 37 Cb 0.07 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2jql s LEU 37 CO 0.01 -0.03 0.07 -0.69 0.23 0.00 0.00 176.35 175.94 2jql s VAL 38 N 1.25 4.40 -0.31 -1.59 1.01 -0.35 0.38 120.40 125.19 2jql s VAL 38 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 2jql s VAL 38 Cb -0.14 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2jql s VAL 38 CO -0.05 0.36 0.64 0.20 0.00 0.00 0.00 175.10 176.25 2jql s ASN 39 N 1.39 6.51 -0.54 3.32 -0.87 0.26 -0.13 114.94 124.89 2jql s ASN 39 Ca 0.05 0.44 -0.25 0.00 -1.57 0.00 0.00 52.86 51.53 2jql s ASN 39 Cb -0.15 -2.34 0.04 0.00 -0.02 0.00 0.00 41.25 38.78 2jql s ASN 39 CO 0.04 -0.50 0.97 -0.76 -2.57 0.00 0.00 177.10 174.28 2jql s LEU 40 N 2.64 4.01 -0.00 0.60 1.02 -0.02 -2.91 118.68 124.01 2jql s LEU 40 Ca 0.26 -0.21 0.07 0.00 0.02 0.00 0.00 54.13 54.26 2jql s LEU 40 Cb -0.15 -2.94 -0.02 0.00 0.02 0.00 0.00 46.19 43.11 2jql s LEU 40 CO 0.12 -1.22 -0.21 -0.63 0.02 0.00 0.00 176.35 174.43 2jql s ILE 41 N 4.03 1.64 -1.77 -0.59 1.01 -1.08 -4.62 121.20 119.82 2jql s ILE 41 Ca 0.33 -0.96 0.23 0.00 0.00 0.00 0.00 60.65 60.25 2jql s ILE 41 Cb -0.11 -1.38 0.55 0.00 0.01 0.00 0.00 42.46 41.53 2jql s ILE 41 CO 0.21 0.40 1.74 -0.81 0.00 0.00 0.00 174.94 176.48 2jql n PRO 42 N 2.40 0.56 0.00 2.79 -0.04 -1.26 -2.97 135.00 136.48 2jql n PRO 42 Ca -0.16 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2jql n PRO 42 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.51 -0.25 0.00 0.55 0.00 -1.26 -5.11 105.19 99.62 2jql n GLY 43 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2jql n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jql n LYS 44 N -0.07 -0.61 -3.64 1.61 4.81 -1.16 -5.18 118.16 113.92 2jql n LYS 44 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2jql n LYS 44 Cb 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.15 2jql n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2jql s GLU 45 N -0.70 0.98 -0.03 1.64 2.02 -1.26 -2.64 118.70 118.70 2jql s GLU 45 Ca 0.00 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2jql s GLU 45 Cb 0.00 0.44 0.02 0.00 0.10 0.00 0.00 34.13 34.69 2jql s GLU 45 CO 0.00 -0.35 -0.01 -1.14 0.02 0.00 0.00 175.26 173.78 2jql s GLN 46 N -2.83 0.38 -0.15 1.61 0.74 -1.15 -4.95 119.66 113.32 2jql s GLN 46 Ca -0.03 0.04 -0.01 0.00 0.05 0.00 0.00 55.36 55.40 2jql s GLN 46 Cb -0.00 -0.52 -0.01 0.00 1.10 0.00 0.00 33.01 33.57 2jql s GLN 46 CO -0.05 -0.11 -0.10 -1.59 -0.55 0.00 0.00 175.29 172.88 2jql s LYS 47 N 0.94 3.41 0.12 1.67 -2.85 -1.25 0.92 119.74 122.70 2jql s LYS 47 Ca -0.10 -0.66 0.08 0.00 -1.00 0.00 0.00 55.97 54.30 2jql s LYS 47 Cb -0.13 -2.74 -0.04 0.00 -2.06 0.00 0.00 37.83 32.86 2jql s LYS 47 CO -0.01 0.12 -0.13 0.08 0.10 0.00 0.00 175.35 175.51 2jql s VAL 48 N 0.60 3.16 -0.18 1.79 1.01 0.16 -4.91 120.40 122.03 2jql s VAL 48 Ca -0.06 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 2jql s VAL 48 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2jql s VAL 48 CO 0.03 0.06 0.09 -1.61 0.00 0.00 0.00 175.10 173.67 2jql s GLU 49 N -2.32 3.97 -0.20 2.72 2.02 -1.26 -0.56 118.70 123.07 2jql s GLU 49 Ca 0.21 -0.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 2jql s GLU 49 Cb -0.10 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2jql s GLU 49 CO 0.13 0.34 -0.04 0.42 0.02 0.00 0.00 175.26 176.13 2jql s ILE 50 N 0.21 3.57 0.39 -1.63 -1.09 0.30 -4.94 121.20 118.00 2jql s ILE 50 Ca 0.06 -0.44 0.08 0.00 -2.23 0.00 0.00 60.65 58.11 2jql s ILE 50 Cb -0.12 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 2jql s ILE 50 CO -0.00 0.44 0.42 0.42 -1.23 0.00 0.00 174.94 174.99 2jql s THR 51 N 1.11 3.11 -1.60 2.92 -4.23 -1.26 -2.39 115.64 113.29 2jql s THR 51 Ca 0.02 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 2jql s THR 51 Cb -0.15 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 2jql s THR 51 CO 0.00 -0.06 2.89 0.59 -0.54 0.00 0.00 174.62 177.51 2jql n ASN 52 N -1.60 8.43 -0.30 3.99 3.02 -0.91 -4.51 115.26 123.39 2jql n ASN 52 Ca 0.03 -2.61 0.15 0.00 -0.03 0.00 0.00 54.58 52.11 2jql n ASN 52 Cb 0.60 -1.56 0.67 0.00 -0.61 0.00 0.00 39.78 38.88 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jql n ARG 53 N 3.66 1.37 0.00 3.52 0.63 -1.26 -4.85 116.66 119.73 2jql n ARG 53 Ca 0.76 -0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2jql n ARG 53 Cb 0.24 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.66 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 -0.29 0.00 -3.87 6.15 5.15 -0.86 -4.79 115.26 116.75 2jql n ASN 54 Ca 0.20 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 54.02 2jql n ASN 54 Cb 0.27 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.26 -0.07 3.44 1.01 -1.26 -2.30 120.40 121.48 2jql s VAL 55 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2jql s VAL 55 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2jql s VAL 55 CO 0.00 0.13 -0.17 -0.89 0.00 0.00 0.00 175.10 174.16 2jql s THR 56 N 0.54 1.51 -0.11 3.92 2.01 0.53 -4.89 115.64 119.15 2jql s THR 56 Ca -0.06 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 2jql s THR 56 Cb -0.09 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 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 0.40 4.84 -0.08 -0.82 -4.23 -1.26 0.25 115.64 114.74 2jql s THR 57 Ca -0.13 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2jql s THR 57 Cb -0.15 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jql s THR 57 CO 0.05 0.59 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.99 2jql s ILE 58 N -0.77 1.05 -0.36 2.99 1.09 -0.78 0.15 121.20 124.57 2jql s ILE 58 Ca 0.13 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.28 2jql s ILE 58 Cb -0.12 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.28 2jql s ILE 58 CO 0.03 0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.82 2jql n GLY 59 N 4.16 -0.72 0.09 6.18 0.00 -0.71 -2.99 105.19 111.19 2jql n GLY 59 Ca -0.20 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 0.94 -1.68 1.61 0.63 -1.21 -1.68 116.66 115.28 2jql n ARG 60 Ca 0.00 -0.02 -0.49 0.00 -0.92 0.00 0.00 57.85 56.42 2jql n ARG 60 Cb 0.00 -1.48 -0.05 0.00 0.45 0.00 0.00 32.46 31.39 2jql n ARG 60 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jql n SER 61 N -2.65 3.18 0.27 6.15 7.64 -1.26 -4.83 113.62 122.11 2jql n SER 61 Ca -0.28 1.02 0.12 0.00 1.01 0.00 0.00 58.87 60.74 2jql n SER 61 Cb 1.06 -1.36 0.78 0.00 -1.01 0.00 0.00 64.21 63.68 2jql n SER 61 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jql h ARG 62 N 7.89 0.00 0.00 1.43 3.08 -1.98 -0.42 114.38 124.37 2jql h ARG 62 Ca -0.47 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 2jql h ARG 62 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 2jql h ARG 62 CO 0.92 0.00 -0.43 0.77 -1.07 0.00 0.00 179.97 180.16 2jql h SER 63 N 0.00 0.00 -2.90 7.04 0.02 -2.00 -3.45 113.55 112.25 2jql h SER 63 Ca 0.01 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.50 2jql h SER 63 Cb 0.05 0.00 0.22 0.00 0.14 0.00 0.00 62.40 62.82 2jql h SER 63 CO -0.00 0.43 -0.54 0.00 -1.14 0.00 0.00 176.83 175.58 2jql h ASP 65 N -2.25 -0.42 -3.38 0.00 5.19 0.11 -3.44 116.42 112.24 2jql h ASP 65 Ca -0.55 -0.10 -0.66 0.00 -0.62 0.00 0.00 57.03 55.11 2jql h ASP 65 Cb 1.34 0.11 -0.28 0.00 0.18 0.00 0.00 39.33 40.67 2jql h ASP 65 CO 0.42 0.03 -0.73 -0.69 -3.12 0.00 0.00 179.24 175.15 2jql s VAL 66 N -3.65 3.31 -0.46 -1.35 1.01 0.17 -4.94 120.40 114.50 2jql s VAL 66 Ca -0.10 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2jql s VAL 66 Cb 0.01 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.97 2jql s VAL 66 CO 0.35 0.43 0.35 0.27 0.00 0.00 0.00 175.10 176.51 2jql s ILE 67 N 1.41 4.89 1.01 2.22 -4.36 -1.26 -1.74 121.20 123.37 2jql s ILE 67 Ca 0.05 -1.19 -0.17 0.00 -0.26 0.00 0.00 60.65 59.08 2jql s ILE 67 Cb -0.14 -3.95 0.25 0.00 1.25 0.00 0.00 42.46 39.87 2jql s ILE 67 CO -0.03 -0.56 0.82 0.18 0.24 0.00 0.00 174.94 175.58 2jql n LEU 68 N 5.11 0.00 -2.09 0.37 4.77 -0.67 -4.98 117.00 119.49 2jql n LEU 68 Ca -0.12 -0.86 -0.25 0.00 -0.03 0.00 0.00 56.01 54.75 2jql n LEU 68 Cb 0.43 -0.79 0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2jql n LEU 68 CO 0.45 -2.06 0.26 -1.20 -1.33 0.00 0.00 177.39 173.51 2jql n SER 69 N -4.64 5.07 -4.66 -1.43 7.64 -1.26 -4.88 113.62 109.46 2jql n SER 69 Ca 0.12 -3.75 -0.35 0.00 1.01 0.00 0.00 58.87 55.90 2jql n SER 69 Cb 0.46 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 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 -3.61 3.60 0.23 1.43 2.02 -1.26 -4.99 118.70 116.12 2jql s GLU 70 Ca 0.51 -0.35 0.21 0.00 0.02 0.00 0.00 54.97 55.36 2jql s GLU 70 Cb 0.41 -3.06 0.94 0.00 0.10 0.00 0.00 34.13 32.53 2jql s GLU 70 CO 0.01 0.45 1.64 -0.35 0.02 0.00 0.00 175.26 177.03 2jql n PRO 71 N 2.94 0.15 -1.67 0.39 -0.04 -1.26 -2.78 135.00 132.73 2jql n PRO 71 Ca -0.18 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2jql n PRO 71 Cb 0.53 -1.83 0.07 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.13 1.78 -4.68 3.54 8.00 -1.26 -5.07 116.55 116.73 2jql n ASP 72 Ca 0.01 -2.65 -0.43 0.00 0.71 0.00 0.00 54.79 52.44 2jql n ASP 72 Cb 0.17 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.18 4.52 0.22 0.53 1.10 -1.12 -4.98 121.20 119.30 2jql s ILE 73 Ca 0.35 1.82 -0.32 0.00 -0.51 0.00 0.00 60.65 61.99 2jql s ILE 73 Cb 0.37 -4.17 -0.13 0.00 0.15 0.00 0.00 42.46 38.68 2jql s ILE 73 CO -0.09 -0.03 1.49 -1.20 -2.11 0.00 0.00 174.94 173.00 2jql n SER 74 N 5.35 3.03 -0.19 4.50 7.64 -1.26 -3.83 113.62 128.86 2jql n SER 74 Ca 0.10 1.12 -0.07 0.00 1.01 0.00 0.00 58.87 61.03 2jql n SER 74 Cb 0.47 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 62.24 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jql h THR 75 N 3.27 1.20 -0.63 0.44 2.02 -1.92 -2.58 112.91 114.71 2jql h THR 75 Ca -0.45 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2jql h THR 75 Cb 1.26 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2jql h THR 75 CO 0.80 0.22 0.00 0.49 0.37 0.00 0.00 175.52 177.40 2jql n PHE 76 N -4.58 1.31 0.00 3.16 3.01 -1.26 -4.14 117.46 114.96 2jql n PHE 76 Ca 0.03 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.89 2jql n PHE 76 Cb 0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 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 1.11 0.00 -3.70 1.38 -0.00 -0.97 -4.58 115.22 108.46 2jql n HIS 77 Ca 0.25 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.33 2jql n HIS 77 Cb 0.82 -0.21 -0.04 0.00 -0.12 0.00 0.00 29.99 30.44 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 -3.40 -1.00 -0.02 1.57 0.00 -1.17 -3.99 121.76 113.76 2jql s ALA 78 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2jql s ALA 78 Cb 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2jql s ALA 78 CO 0.00 -0.79 -0.17 -1.21 0.00 0.00 0.00 175.76 173.58 2jql s GLU 79 N -3.86 1.45 -0.10 0.00 2.02 -0.63 -1.87 118.70 115.71 2jql s GLU 79 Ca 0.08 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.49 2jql s GLU 79 Cb -0.01 -1.38 -0.00 0.00 0.10 0.00 0.00 34.13 32.84 2jql s GLU 79 CO -0.04 0.35 -0.23 -0.06 0.02 0.00 0.00 175.26 175.30 2jql s PHE 80 N -0.34 2.58 -0.32 1.61 0.40 0.14 -1.68 117.98 120.37 2jql s PHE 80 Ca 0.05 -0.99 -0.16 0.00 -0.60 0.00 0.00 56.93 55.23 2jql s PHE 80 Cb -0.07 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2jql s PHE 80 CO -0.00 -0.39 0.43 -1.01 0.70 0.00 0.00 175.22 174.95 2jql s HIS 81 N 0.31 3.21 -0.38 0.36 3.76 -0.69 0.20 115.29 122.06 2jql s HIS 81 Ca -0.17 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 54.87 2jql s HIS 81 Cb -0.18 -2.73 0.04 0.00 1.11 0.00 0.00 32.58 30.82 2jql s HIS 81 CO 0.08 -0.40 0.20 -1.17 -0.85 0.00 0.00 174.74 172.61 2jql s LEU 82 N 2.19 4.73 -0.02 0.89 1.98 -0.97 -2.85 118.68 124.62 2jql s LEU 82 Ca 0.16 -1.08 0.07 0.00 -2.89 0.00 0.00 54.13 50.39 2jql s LEU 82 Cb -0.16 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.67 2jql s LEU 82 CO 0.11 -0.40 -0.23 -0.22 -1.89 0.00 0.00 176.35 173.72 2jql s LEU 83 N 1.52 2.05 -0.11 -0.68 0.20 -1.17 -2.02 118.68 118.47 2jql s LEU 83 Ca 0.01 -0.42 -0.00 0.00 0.69 0.00 0.00 54.13 54.41 2jql s LEU 83 Cb -0.20 -1.19 0.02 0.00 -0.43 0.00 0.00 46.19 44.40 2jql s LEU 83 CO 0.06 0.28 -0.09 -1.58 -0.29 0.00 0.00 176.35 174.73 2jql s GLN 84 N -0.56 1.63 0.05 1.98 0.74 -1.26 -2.62 119.66 119.62 2jql s GLN 84 Ca 0.09 -0.30 0.05 0.00 0.05 0.00 0.00 55.36 55.25 2jql s GLN 84 Cb -0.09 -1.63 -0.02 0.00 1.10 0.00 0.00 33.01 32.37 2jql s GLN 84 CO -0.01 -0.24 -0.15 1.41 -0.55 0.00 0.00 175.29 175.76 2jql s MET 85 N 1.58 0.94 -0.21 1.67 1.75 -1.00 -5.01 119.30 119.03 2jql s MET 85 Ca 0.03 -0.82 -0.06 0.00 -1.25 0.00 0.00 55.69 53.59 2jql s MET 85 Cb -0.13 -0.96 -0.03 0.00 2.84 0.00 0.00 34.83 36.56 2jql s MET 85 CO -0.07 0.23 0.03 0.16 -0.65 0.00 0.00 175.02 174.71 2jql s ASP 86 N -1.30 5.04 -0.02 1.11 -4.77 -1.26 -0.04 116.67 115.43 2jql s ASP 86 Ca 0.01 -0.15 0.01 0.00 -3.30 0.00 0.00 52.55 49.12 2jql s ASP 86 Cb -0.08 -1.87 0.01 0.00 -1.09 0.00 0.00 42.92 39.89 2jql s ASP 86 CO 0.02 0.07 -0.01 0.54 0.70 0.00 0.00 175.17 176.48 2jql s VAL 87 N 1.00 0.17 0.00 2.11 0.11 -0.90 -4.91 120.40 117.99 2jql s VAL 87 Ca 0.03 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2jql s VAL 87 Cb -0.14 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2jql s VAL 87 CO 0.02 0.10 0.00 -0.67 -3.33 0.00 0.00 175.10 171.22 2jql n ASP 88 N 3.64 0.00 0.00 3.54 -0.08 -1.26 -3.14 116.55 119.25 2jql n ASP 88 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2jql n ASP 88 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 2.80 0.00 -3.45 1.67 5.15 -1.26 -5.15 115.26 115.02 2jql n ASN 89 Ca 0.00 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.81 2jql n ASN 89 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 2jql n ASN 89 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2jql n PHE 90 N -0.80 -3.57 -4.90 1.20 3.72 -1.19 -5.06 117.46 106.87 2jql n PHE 90 Ca 0.00 -0.96 -0.32 0.00 -0.05 0.00 0.00 57.45 56.12 2jql n PHE 90 Cb 0.00 -0.58 -0.16 0.00 -0.94 0.00 0.00 39.48 37.80 2jql n PHE 90 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2jql s GLN 91 N -4.56 3.12 -0.25 -1.08 -2.07 -1.26 -2.11 119.66 111.44 2jql s GLN 91 Ca 0.47 -0.82 -0.06 0.00 -1.82 0.00 0.00 55.36 53.13 2jql s GLN 91 Cb -0.02 -2.44 -0.01 0.00 -1.09 0.00 0.00 33.01 29.45 2jql s GLN 91 CO 0.32 0.11 0.03 1.03 -1.32 0.00 0.00 175.29 175.46 2jql s ARG 92 N 0.54 3.35 -0.03 9.60 0.52 0.94 -4.95 118.95 128.93 2jql s ARG 92 Ca -0.12 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2jql s ARG 92 Cb -0.17 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2jql s ARG 92 CO 0.04 -0.28 -0.01 -0.80 0.02 0.00 0.00 175.30 174.28 2jql s ASN 93 N 1.52 5.09 0.03 0.23 0.01 -1.26 -2.38 114.94 118.19 2jql s ASN 93 Ca 0.05 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.27 2jql s ASN 93 Cb -0.16 -1.35 -0.02 0.00 0.41 0.00 0.00 41.25 40.14 2jql s ASN 93 CO 0.01 0.31 -0.14 -0.76 -1.51 0.00 0.00 177.10 175.01 2jql s LEU 94 N -1.34 2.14 -0.04 0.60 1.02 -1.08 -5.01 118.68 114.97 2jql s LEU 94 Ca 0.17 -0.41 0.07 0.00 0.02 0.00 0.00 54.13 53.98 2jql s LEU 94 Cb -0.11 -0.63 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 2jql s LEU 94 CO 0.08 0.07 -0.24 -0.63 0.02 0.00 0.00 176.35 175.64 2jql s ILE 95 N -0.72 1.95 -0.06 -0.59 -1.09 -1.10 -3.02 121.20 116.57 2jql s ILE 95 Ca 0.03 -1.03 0.06 0.00 -2.23 0.00 0.00 60.65 57.47 2jql s ILE 95 Cb -0.07 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.17 2jql s ILE 95 CO 0.01 0.55 -0.24 0.21 -1.23 0.00 0.00 174.94 174.24 2jql s ASN 96 N -0.34 2.94 -0.17 3.58 3.84 -1.13 0.93 114.94 124.58 2jql s ASN 96 Ca 0.03 -0.49 -0.08 0.00 0.21 0.00 0.00 52.86 52.52 2jql s ASN 96 Cb -0.12 -0.86 -0.04 0.00 -0.55 0.00 0.00 41.25 39.68 2jql s ASN 96 CO 0.01 0.22 0.09 -0.69 -2.79 0.00 0.00 177.10 173.95 2jql s VAL 97 N -0.09 5.06 -0.11 -5.21 1.01 0.45 -1.70 120.40 119.81 2jql s VAL 97 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2jql s VAL 97 Cb -0.14 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2jql s VAL 97 CO 0.04 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 2jql s ILE 98 N 0.10 1.01 -0.20 2.22 1.01 -0.68 -2.93 121.20 121.73 2jql s ILE 98 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2jql s ILE 98 Cb -0.12 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 2jql s ILE 98 CO 0.00 0.36 -0.01 -1.81 0.00 0.00 0.00 174.94 173.48 2jql s ASP 99 N 1.61 4.75 0.37 3.58 1.01 -1.26 -1.60 116.67 125.14 2jql s ASP 99 Ca 0.03 -0.22 0.28 0.00 0.71 0.00 0.00 52.55 53.34 2jql s ASP 99 Cb -0.13 -1.81 1.18 0.00 1.01 0.00 0.00 42.92 43.17 2jql s ASP 99 CO -0.07 0.06 1.82 0.11 0.21 0.00 0.00 175.17 177.30 2jql h LYS 100 N 7.51 0.00 -4.16 8.23 1.79 -1.83 -3.48 116.57 124.64 2jql h LYS 100 Ca -0.36 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.12 2jql h LYS 100 Cb 1.18 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.75 2jql h LYS 100 CO 0.61 0.00 -0.93 0.43 -1.08 0.00 0.00 179.45 178.48 2jql n SER 101 N -2.55 -1.11 0.10 0.86 7.64 -1.26 -5.04 113.62 112.26 2jql n SER 101 Ca 0.01 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2jql n SER 101 Cb 0.23 -3.49 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 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 0.98 0.00 -0.00 1.43 1.74 -1.26 -5.04 116.66 114.50 2jql n ARG 102 Ca -0.24 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.83 2jql n ARG 102 Cb 0.38 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.82 2jql n ARG 102 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jql h ASN 103 N 0.00 0.00 0.00 0.55 4.21 -1.96 -3.51 115.58 114.88 2jql h ASN 103 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2jql h ASN 103 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2jql h ASN 103 CO 0.00 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 2jql n GLY 104 N 1.86 1.84 3.15 2.83 0.00 -1.26 -5.00 105.19 108.60 2jql n GLY 104 Ca -0.00 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2jql n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s THR 105 N 0.00 1.87 -0.11 2.61 2.01 -1.26 0.15 115.64 120.91 2jql s THR 105 Ca 0.00 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2jql s THR 105 Cb 0.00 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 2jql s THR 105 CO 0.00 0.51 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.87 2jql s PHE 106 N 0.72 2.62 -0.04 4.92 0.08 0.90 -3.80 117.98 123.39 2jql s PHE 106 Ca -0.11 -0.94 0.06 0.00 0.12 0.00 0.00 56.93 56.06 2jql s PHE 106 Cb -0.16 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2jql s PHE 106 CO 0.01 -0.36 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.04 2jql s ILE 107 N 0.33 1.83 -1.62 0.64 1.10 -0.22 0.96 121.20 124.22 2jql s ILE 107 Ca -0.17 -0.96 0.00 0.00 -0.51 0.00 0.00 60.65 59.01 2jql s ILE 107 Cb -0.17 -1.54 0.00 0.00 0.15 0.00 0.00 42.46 40.90 2jql s ILE 107 CO 0.08 0.52 0.00 0.59 -2.11 0.00 0.00 174.94 174.02 2jql n ASN 108 N 2.79 -5.39 -0.20 4.50 5.03 0.86 -1.39 115.26 121.46 2jql n ASN 108 Ca -0.17 0.01 -0.03 0.00 0.87 0.00 0.00 54.58 55.27 2jql n ASN 108 Cb 0.52 -4.45 -0.01 0.00 -1.02 0.00 0.00 39.78 34.82 2jql n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 109 N -1.00 0.53 3.13 7.41 0.00 -1.26 -4.99 105.19 109.01 2jql n GLY 109 Ca -0.22 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 1.28 0.29 1.61 0.01 -0.49 -5.13 114.94 110.24 2jql s ASN 110 Ca 0.00 -0.67 -0.29 0.00 -0.71 0.00 0.00 52.86 51.19 2jql s ASN 110 Cb 0.00 0.01 -0.10 0.00 0.41 0.00 0.00 41.25 41.57 2jql s ASN 110 CO 0.00 -0.20 1.19 -0.60 -1.51 0.00 0.00 177.10 175.99 2jql s ARG 111 N -2.11 4.51 0.03 -0.60 3.52 -1.26 -1.06 118.95 121.98 2jql s ARG 111 Ca -0.02 1.98 -0.22 0.00 -0.13 0.00 0.00 55.73 57.35 2jql s ARG 111 Cb -0.07 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2jql s ARG 111 CO 0.01 0.02 0.65 -1.17 -0.81 0.00 0.00 175.30 173.99 2jql s LEU 112 N -1.50 4.45 0.00 -0.88 2.96 -1.25 -4.89 118.68 117.58 2jql s LEU 112 Ca 0.47 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 2jql s LEU 112 Cb -0.35 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.32 2jql s LEU 112 CO 0.46 0.11 0.00 0.55 -1.32 0.00 0.00 176.35 176.15 2jql n VAL 113 N 2.54 0.00 -1.65 1.68 3.14 -1.26 -5.04 118.33 117.74 2jql n VAL 113 Ca -0.06 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.01 2jql n VAL 113 Cb 0.51 -0.71 0.06 0.00 -1.06 0.00 0.00 33.84 32.64 2jql n VAL 113 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2jql s LYS 114 N -1.94 2.63 -0.38 1.45 1.02 -1.26 -4.98 119.74 116.28 2jql s LYS 114 Ca 0.00 0.71 0.06 0.00 0.02 0.00 0.00 55.97 56.77 2jql s LYS 114 Cb 0.00 -1.97 0.58 0.00 -0.52 0.00 0.00 37.83 35.92 2jql s LYS 114 CO 0.00 -1.26 1.69 1.63 -0.92 0.00 0.00 175.35 176.49 2jql n LYS 115 N -3.20 2.06 -2.73 1.68 4.76 -1.26 -4.61 118.16 114.86 2jql n LYS 115 Ca 0.07 -3.13 -0.09 0.00 -2.87 0.00 0.00 58.31 52.30 2jql n LYS 115 Cb 0.55 -2.00 0.08 0.00 -1.84 0.00 0.00 35.03 31.82 2jql n LYS 115 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jql n ASP 116 N -1.13 -2.50 -4.76 4.39 2.03 -1.26 -4.88 116.55 108.44 2jql n ASP 116 Ca 0.47 -3.52 -0.40 0.00 0.52 0.00 0.00 54.79 51.86 2jql n ASP 116 Cb 1.33 1.88 -0.06 0.00 -0.72 0.00 0.00 41.12 43.55 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 0.40 3.84 -0.30 -0.67 6.14 -1.15 -4.92 117.35 120.69 2jql s TYR 117 Ca 0.25 1.59 -0.13 0.00 0.64 0.00 0.00 57.07 59.42 2jql s TYR 117 Cb 0.27 -2.80 -0.03 0.00 0.42 0.00 0.00 41.96 39.82 2jql s TYR 117 CO -0.12 0.41 0.27 -1.50 0.64 0.00 0.00 175.55 175.25 2jql s ILE 118 N -0.70 5.25 -0.12 3.14 1.10 -1.26 -0.41 121.20 128.19 2jql s ILE 118 Ca 0.37 0.13 -0.05 0.00 -0.51 0.00 0.00 60.65 60.59 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 3.98 0.41 8.50 0.20 0.27 -4.97 118.68 128.93 2jql s LEU 119 Ca 0.09 0.27 0.04 0.00 0.69 0.00 0.00 54.13 55.22 2jql s LEU 119 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 2jql s LEU 119 CO 0.11 0.34 0.14 -0.54 -0.29 0.00 0.00 176.35 176.11 2jql s LYS 120 N -0.64 1.92 0.37 1.98 3.01 -1.26 -2.72 119.74 122.41 2jql s LYS 120 Ca 0.12 -2.17 -0.27 0.00 -1.01 0.00 0.00 55.97 52.64 2jql s LYS 120 Cb -0.12 -0.57 -0.11 0.00 -1.01 0.00 0.00 37.83 36.02 2jql s LYS 120 CO 0.02 -0.49 1.28 0.27 0.51 0.00 0.00 175.35 176.95 2jql n ASN 121 N -1.32 2.67 -2.25 2.83 0.23 -1.26 -3.28 115.26 112.89 2jql n ASN 121 Ca -0.05 1.17 -0.08 0.00 -0.53 0.00 0.00 54.58 55.08 2jql n ASN 121 Cb 0.65 -1.49 0.04 0.00 -2.08 0.00 0.00 39.78 36.90 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jql n GLY 122 N 0.79 0.01 3.01 4.83 0.00 -0.55 -5.01 105.19 108.27 2jql n GLY 122 Ca 0.05 -0.14 -0.29 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 -3.62 2.53 0.04 1.61 1.11 -1.17 -4.98 116.67 112.19 2jql s ASP 123 Ca 0.03 -0.44 -0.29 0.00 0.18 0.00 0.00 52.55 52.03 2jql s ASP 123 Cb -0.00 -1.10 -0.04 0.00 1.07 0.00 0.00 42.92 42.84 2jql s ASP 123 CO 0.37 -0.04 0.91 -0.13 1.18 0.00 0.00 175.17 177.46 2jql s ARG 124 N 1.36 4.59 -0.02 8.23 0.52 -1.26 -1.65 118.95 130.72 2jql s ARG 124 Ca 0.01 1.33 0.04 0.00 -0.52 0.00 0.00 55.73 56.60 2jql s ARG 124 Cb -0.13 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2jql s ARG 124 CO -0.08 0.11 -0.16 0.42 0.02 0.00 0.00 175.30 175.62 2jql s ILE 125 N 0.44 1.27 -0.13 1.52 1.09 0.22 -0.10 121.20 125.51 2jql s ILE 125 Ca 0.47 -0.66 0.02 0.00 -1.10 0.00 0.00 60.65 59.37 2jql s ILE 125 Cb -0.21 -1.07 0.02 0.00 -1.06 0.00 0.00 42.46 40.13 2jql s ILE 125 CO 0.27 0.36 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.62 2jql s VAL 126 N -0.18 1.64 -0.20 2.92 1.01 0.27 0.21 120.40 126.07 2jql s VAL 126 Ca 0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2jql s VAL 126 Cb -0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2jql s VAL 126 CO 0.00 0.47 -0.06 -0.36 0.00 0.00 0.00 175.10 175.16 2jql s PHE 127 N 1.07 2.94 0.00 5.22 0.40 0.13 -0.07 117.98 127.68 2jql s PHE 127 Ca -0.04 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2jql s PHE 127 Cb -0.14 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2jql s PHE 127 CO -0.04 -0.42 0.00 0.41 0.70 0.00 0.00 175.22 175.87 2jql n GLY 128 N 4.42 1.98 0.00 4.36 0.00 0.12 -3.40 105.19 112.67 2jql n GLY 128 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2jql n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 129 N 0.00 0.00 -0.08 1.61 5.02 -1.26 -4.55 118.16 118.90 2jql n LYS 129 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2jql n LYS 129 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jql n SER 130 N 0.00 2.38 -4.54 4.39 3.41 -1.26 -4.94 113.62 113.06 2jql n SER 130 Ca 0.00 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 2jql n SER 130 Cb 0.00 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 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 9.03 2.50 0.04 0.00 0.15 -1.26 0.20 113.70 124.35 2jql s SER 132 Ca 1.05 -0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.22 2jql s SER 132 Cb -0.49 -1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 2jql s SER 132 CO 0.38 0.07 0.04 0.72 1.20 0.00 0.00 173.24 175.65 2jql s PHE 133 N 0.67 0.29 -0.06 3.44 -0.71 0.13 -0.84 117.98 120.90 2jql s PHE 133 Ca -0.13 -0.65 0.02 0.00 -1.04 0.00 0.00 56.93 55.14 2jql s PHE 133 Cb -0.16 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 2jql s PHE 133 CO 0.03 -0.34 -0.10 -1.17 -1.34 0.00 0.00 175.22 172.31 2jql s LEU 134 N -2.19 2.98 -0.07 -1.99 2.96 0.82 0.70 118.68 121.89 2jql s LEU 134 Ca -0.04 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2jql s LEU 134 Cb -0.01 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2jql s LEU 134 CO -0.05 0.36 0.04 0.12 -1.32 0.00 0.00 176.35 175.49 2jql s PHE 135 N -0.78 3.25 -0.18 5.38 5.36 -0.66 -1.21 117.98 129.14 2jql s PHE 135 Ca 0.12 0.25 -0.18 0.00 -0.96 0.00 0.00 56.93 56.15 2jql s PHE 135 Cb -0.11 -1.80 0.05 0.00 -0.34 0.00 0.00 43.02 40.83 2jql s PHE 135 CO 0.01 0.53 0.52 0.15 -1.46 0.00 0.00 175.22 174.97 2jql s LYS 136 N -1.13 0.63 0.30 10.12 1.02 -1.15 -1.48 119.74 128.05 2jql s LYS 136 Ca 0.16 0.67 -0.29 0.00 0.02 0.00 0.00 55.97 56.53 2jql s LYS 136 Cb -0.12 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.40 2jql s LYS 136 CO 0.05 -0.09 1.17 0.71 -0.92 0.00 0.00 175.35 176.28 2jql s TYR 137 N 0.16 3.40 -0.08 3.18 2.02 -1.26 -1.59 117.35 123.18 2jql s TYR 137 Ca -0.01 1.61 0.15 0.00 -0.37 0.00 0.00 57.07 58.44 2jql s TYR 137 Cb -0.04 -3.41 -0.21 0.00 -0.40 0.00 0.00 41.96 37.90 2jql s TYR 137 CO 0.01 -0.98 0.63 0.00 -1.57 0.00 0.00 175.55 173.65 2jql n ALA 138 N 1.05 1.64 -0.82 3.71 0.00 0.29 -4.87 120.51 121.50 2jql n ALA 138 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2jql n ALA 138 Cb 0.44 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2jql n ALA 138 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jql n SER 139 N -2.95 0.00 0.23 0.00 7.64 -0.98 -3.76 113.62 113.80 2jql n SER 139 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2jql n SER 139 Cb 1.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 2jql n SER 139 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jql n SER 140 N 1.61 -3.93 -3.15 6.43 2.88 -1.26 -4.74 113.62 111.47 2jql n SER 140 Ca 0.00 0.89 0.04 0.00 -1.33 0.00 0.00 58.87 58.48 2jql n SER 140 Cb 0.00 3.66 -0.01 0.00 -0.75 0.00 0.00 64.21 67.11 2jql n SER 140 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jql s SER 141 N -2.33 -1.22 1.11 -3.46 0.15 -1.25 -5.14 113.70 101.56 2jql s SER 141 Ca 0.00 0.74 -0.13 0.00 0.70 0.00 0.00 55.95 57.27 2jql s SER 141 Cb 0.00 2.02 0.25 0.00 -1.71 0.00 0.00 66.02 66.58 2jql s SER 141 CO 0.00 -0.23 1.05 -0.44 1.20 0.00 0.00 173.24 174.82 2jql s SER 142 N 2.88 1.54 0.25 5.45 0.01 -1.26 -5.06 113.70 117.51 2jql s SER 142 Ca 0.17 1.39 0.08 0.00 1.31 0.00 0.00 55.95 58.89 2jql s SER 142 Cb -0.14 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2jql s SER 142 CO -0.19 -3.83 -0.11 -0.89 0.41 0.00 0.00 173.24 168.63 2jql s THR 143 N -2.65 1.79 0.70 1.44 2.01 -1.26 -5.15 115.64 112.52 2jql s THR 143 Ca 0.67 -2.19 -0.11 0.00 0.31 0.00 0.00 61.69 60.37 2jql s THR 143 Cb -0.23 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.03 2jql s THR 143 CO 0.62 -0.42 1.08 -1.81 -0.69 0.00 0.00 174.62 173.39 2jql s ASP 144 N -3.41 5.32 -0.32 3.53 1.11 -1.26 -4.98 116.67 116.66 2jql s ASP 144 Ca 0.27 1.00 0.10 0.00 0.18 0.00 0.00 52.55 54.09 2jql s ASP 144 Cb 0.01 -1.78 0.70 0.00 1.07 0.00 0.00 42.92 42.92 2jql s ASP 144 CO 0.10 -1.38 1.75 -0.38 1.18 0.00 0.00 175.17 176.44 2jql n ILE 145 N -2.98 2.87 0.04 0.77 -0.00 -1.26 -4.21 119.36 114.59 2jql n ILE 145 Ca 0.07 -1.81 -0.18 0.00 -0.00 0.00 0.00 62.75 60.83 2jql n ILE 145 Cb 0.58 -0.36 -0.14 0.00 -0.00 0.00 0.00 39.64 39.72 2jql n ILE 145 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 2jql h GLU 146 N 2.26 0.25 -0.13 0.38 4.11 -2.05 -3.39 114.58 116.01 2jql h GLU 146 Ca 0.28 -0.42 -0.16 0.00 0.07 0.00 0.00 59.36 59.13 2jql h GLU 146 Cb 2.25 0.16 -0.25 0.00 0.50 0.00 0.00 28.75 31.41 2jql h GLU 146 CO 0.70 1.09 -0.82 0.09 0.07 0.00 0.00 179.01 180.14 2jql n ASN 147 N -3.43 1.76 -3.78 3.06 3.02 -1.26 -4.96 115.26 109.68 2jql n ASN 147 Ca -0.21 -2.92 -0.29 0.00 -0.03 0.00 0.00 54.58 51.12 2jql n ASN 147 Cb 1.05 -0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 39.68 2jql n ASN 147 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jql s ASP 148 N -2.85 3.83 0.45 6.41 1.01 -1.26 -5.10 116.67 119.15 2jql s ASP 148 Ca 0.37 -2.80 -0.21 0.00 0.71 0.00 0.00 52.55 50.62 2jql s ASP 148 Cb 0.38 -1.21 -0.10 0.00 1.01 0.00 0.00 42.92 43.00 2jql s ASP 148 CO -0.09 -0.25 0.98 -1.81 0.21 0.00 0.00 175.17 174.21 2jql s ASP 149 N 0.08 6.75 -0.36 0.27 1.11 -1.26 -4.88 116.67 118.38 2jql s ASP 149 Ca 0.18 1.77 -0.03 0.00 0.18 0.00 0.00 52.55 54.66 2jql s ASP 149 Cb -0.23 -2.55 0.08 0.00 1.07 0.00 0.00 42.92 41.30 2jql s ASP 149 CO -0.01 -0.49 0.12 -0.70 1.18 0.00 0.00 175.17 175.27 2jql s GLU 150 N -3.18 2.18 0.14 8.23 2.56 -1.26 -5.09 118.70 122.28 2jql s GLU 150 Ca 0.64 -1.58 -0.14 0.00 0.00 0.00 0.00 54.97 53.89 2jql s GLU 150 Cb -0.12 -3.42 -0.07 0.00 2.00 0.00 0.00 34.13 32.52 2jql s GLU 150 CO 0.15 -0.88 0.53 0.15 -0.56 0.00 0.00 175.26 174.65 2jql s LYS 151 N 1.19 3.94 -0.22 4.30 3.01 -1.26 -5.01 119.74 125.70 2jql s LYS 151 Ca 0.03 0.44 -0.27 0.00 -1.01 0.00 0.00 55.97 55.16 2jql s LYS 151 Cb -0.21 -2.93 0.00 0.00 -1.01 0.00 0.00 37.83 33.67 2jql s LYS 151 CO -0.03 0.49 0.96 0.14 0.51 0.00 0.00 175.35 177.42 2jql s VAL 152 N -1.46 4.75 0.00 3.17 -7.23 -1.26 -4.59 120.40 113.78 2jql s VAL 152 Ca 0.37 1.86 0.00 0.00 -1.81 0.00 0.00 61.98 62.40 2jql s VAL 152 Cb -0.15 -4.24 0.00 0.00 0.56 0.00 0.00 36.38 32.55 2jql s VAL 152 CO 0.19 -0.12 0.00 -0.24 -0.31 0.00 0.00 175.10 174.62 2jql n SER 153 N 6.04 0.00 -1.62 4.85 2.88 -1.26 -4.95 113.62 119.57 2jql n SER 153 Ca 0.09 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.55 2jql n SER 153 Cb 0.47 0.13 0.23 0.00 -0.75 0.00 0.00 64.21 64.29 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 -1.72 3.63 -3.02 -3.46 7.64 -1.26 -4.98 113.62 110.46 2jql n SER 154 Ca 0.00 -3.48 -0.12 0.00 1.01 0.00 0.00 58.87 56.28 2jql n SER 154 Cb 0.00 -0.70 0.01 0.00 -1.01 0.00 0.00 64.21 62.51 2jql n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jql n GLU 155 N -0.79 -2.12 -0.09 1.43 -0.58 -1.26 -4.99 120.64 112.24 2jql n GLU 155 Ca 0.40 1.88 -0.15 0.00 -0.42 0.00 0.00 57.16 58.87 2jql n GLU 155 Cb 1.27 -5.03 -0.07 0.00 -0.57 0.00 0.00 31.44 27.04 2jql n GLU 155 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jql n SER 156 N -0.60 1.97 -2.44 1.62 7.64 -1.26 -5.08 113.62 115.47 2jql n SER 156 Ca 0.05 0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 2jql n SER 156 Cb 0.51 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2jql n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jql n ARG 157 N -3.39 0.51 -1.62 1.43 3.00 -1.26 -5.08 116.66 110.25 2jql n ARG 157 Ca -0.32 -1.72 -0.03 0.00 -0.01 0.00 0.00 57.85 55.78 2jql n ARG 157 Cb 0.78 1.14 0.00 0.00 0.00 0.00 0.00 32.46 34.38 2jql n ARG 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jql n SER 158 N -2.03 -0.30 0.00 0.55 7.64 -1.26 -5.06 113.62 113.16 2jql n SER 158 Ca 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.84 2jql n SER 158 Cb 0.31 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2jql n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03