#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrk s ILE 2 N 0.00 4.07 0.17 3.17 1.01 -1.26 -1.42 121.20 126.94 1jrk s ILE 2 Ca 0.00 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.36 1jrk s ILE 2 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1jrk s ILE 2 CO 0.00 0.23 -0.06 0.68 0.00 0.00 0.00 174.94 175.79 1jrk s VAL 3 N 0.19 1.07 -0.04 2.92 -7.23 0.77 -2.37 120.40 115.70 1jrk s VAL 3 Ca 0.51 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1jrk s VAL 3 Cb -0.28 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.69 1jrk s VAL 3 CO 0.32 -0.61 0.08 0.28 -0.31 0.00 0.00 175.10 174.86 1jrk s THR 4 N -3.40 -0.04 0.25 5.32 -1.32 -0.04 -0.85 115.64 115.56 1jrk s THR 4 Ca 0.20 0.15 0.11 0.00 -1.21 0.00 0.00 61.69 60.94 1jrk s THR 4 Cb 0.04 -0.15 -0.05 0.00 -1.51 0.00 0.00 72.50 70.83 1jrk s THR 4 CO 0.03 0.06 -0.19 -0.44 -2.21 0.00 0.00 174.62 171.87 1jrk s SER 5 N 0.84 3.27 -0.10 8.08 0.01 0.17 -1.80 113.70 124.17 1jrk s SER 5 Ca -0.07 -1.01 0.04 0.00 1.31 0.00 0.00 55.95 56.22 1jrk s SER 5 Cb -0.09 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1jrk s SER 5 CO -0.03 -0.02 -0.22 -0.83 0.41 0.00 0.00 173.24 172.55 1jrk s GLY 6 N -3.37 1.26 -0.35 3.44 0.00 0.15 -0.81 107.32 107.64 1jrk s GLY 6 Ca 0.27 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 1jrk s GLY 6 CO 0.12 -0.22 0.16 0.14 0.00 0.00 0.00 173.10 173.31 1jrk s VAL 7 N 0.47 4.28 -0.19 1.40 1.01 0.20 -3.86 120.40 123.71 1jrk s VAL 7 Ca -0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1jrk s VAL 7 Cb -0.17 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1jrk s VAL 7 CO 0.06 -0.17 -0.12 -0.22 0.00 0.00 0.00 175.10 174.65 1jrk s LEU 8 N 1.51 2.53 -0.12 3.92 2.96 -1.26 -1.23 118.68 126.98 1jrk s LEU 8 Ca 0.01 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1jrk s LEU 8 Cb -0.19 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1jrk s LEU 8 CO 0.05 0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.26 1jrk s VAL 9 N 1.30 1.47 -0.03 1.68 1.01 -1.26 -2.11 120.40 122.45 1jrk s VAL 9 Ca 0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1jrk s VAL 9 Cb -0.14 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1jrk s VAL 9 CO -0.07 0.44 0.05 -1.61 0.00 0.00 0.00 175.10 173.91 1jrk s GLU 10 N 1.21 -0.05 -1.36 2.72 2.02 0.12 -4.90 118.70 118.46 1jrk s GLU 10 Ca -0.02 0.29 -0.05 0.00 0.02 0.00 0.00 54.97 55.20 1jrk s GLU 10 Cb -0.14 -0.35 0.03 0.00 0.10 0.00 0.00 34.13 33.76 1jrk s GLU 10 CO -0.05 -0.24 0.90 0.09 0.02 0.00 0.00 175.26 175.98 1jrk n ASN 11 N 4.67 -3.10 -0.23 -0.19 3.02 -1.26 -1.55 115.26 116.63 1jrk n ASN 11 Ca -0.17 -0.74 -0.03 0.00 -0.03 0.00 0.00 54.58 53.61 1jrk n ASN 11 Cb 0.50 -4.31 -0.01 0.00 -0.61 0.00 0.00 39.78 35.35 1jrk n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrk n GLY 12 N -1.61 0.62 2.96 7.41 0.00 -1.26 -5.02 105.19 108.28 1jrk n GLY 12 Ca -0.16 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1jrk n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrk s LYS 13 N -2.02 0.22 -0.10 1.61 1.02 -0.59 -1.54 119.74 118.34 1jrk s LYS 13 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.61 1jrk s LYS 13 Cb 0.00 0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.38 1jrk s LYS 13 CO 0.00 -0.04 -0.17 0.54 -0.92 0.00 0.00 175.35 174.76 1jrk s VAL 14 N -0.99 2.72 -0.24 3.17 0.11 -0.10 0.14 120.40 125.22 1jrk s VAL 14 Ca -0.11 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.86 1jrk s VAL 14 Cb -0.07 -2.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1jrk s VAL 14 CO -0.01 0.55 1.13 -0.22 -3.33 0.00 0.00 175.10 173.22 1jrk s LEU 15 N 0.14 4.07 0.04 2.54 2.96 -0.90 -0.67 118.68 126.86 1jrk s LEU 15 Ca -0.09 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.27 1jrk s LEU 15 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1jrk s LEU 15 CO 0.05 -0.77 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.38 1jrk s LEU 16 N 3.47 2.16 0.35 -0.68 1.43 -0.72 -4.46 118.68 120.23 1jrk s LEU 16 Ca 0.48 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1jrk s LEU 16 Cb -0.16 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1jrk s LEU 16 CO 0.12 0.11 0.20 0.68 0.23 0.00 0.00 176.35 177.69 1jrk s VAL 17 N -0.79 3.10 -0.09 -1.59 -7.23 -0.51 -1.49 120.40 111.81 1jrk s VAL 17 Ca 0.05 -1.58 -0.24 0.00 -1.81 0.00 0.00 61.98 58.39 1jrk s VAL 17 Cb -0.08 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 1jrk s VAL 17 CO 0.01 -0.16 0.76 -0.54 -0.31 0.00 0.00 175.10 174.86 1jrk s LYS 18 N -3.91 4.41 0.14 4.82 1.02 -1.26 -1.29 119.74 123.67 1jrk s LYS 18 Ca 0.39 0.96 -0.34 0.00 0.02 0.00 0.00 55.97 57.01 1jrk s LYS 18 Cb -0.03 -3.48 -0.14 0.00 -0.52 0.00 0.00 37.83 33.66 1jrk s LYS 18 CO 0.24 -0.05 1.61 1.58 -0.92 0.00 0.00 175.35 177.82 1jrk n HIS 19 N 4.16 2.30 -0.22 3.18 -0.00 -0.14 -4.81 115.22 119.69 1jrk n HIS 19 Ca 0.01 0.23 0.03 0.00 -0.00 0.00 0.00 57.72 57.98 1jrk n HIS 19 Cb 0.51 -2.56 0.13 0.00 -0.00 0.00 0.00 29.99 28.07 1jrk n HIS 19 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1jrk h LYS 20 N 6.28 0.20 0.01 1.57 1.57 -1.92 0.15 116.57 124.44 1jrk h LYS 20 Ca -0.45 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 57.94 1jrk h LYS 20 Cb 1.25 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 1jrk h LYS 20 CO 0.90 0.13 -2.34 0.54 -0.57 0.00 0.00 179.45 178.11 1jrk n ARG 21 N -5.19 0.67 0.03 3.15 5.12 -1.26 -4.61 116.66 114.56 1jrk n ARG 21 Ca 0.11 0.12 0.11 0.00 -1.93 0.00 0.00 57.85 56.26 1jrk n ARG 21 Cb 0.38 -1.56 0.06 0.00 -1.16 0.00 0.00 32.46 30.18 1jrk n ARG 21 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1jrk n LEU 22 N -3.10 0.63 0.00 0.55 4.77 -1.21 -5.00 117.00 113.64 1jrk n LEU 22 Ca -0.38 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1jrk n LEU 22 Cb 1.06 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1jrk n LEU 22 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1jrk n GLY 23 N 1.38 1.02 3.53 -0.72 0.00 0.52 -4.89 105.19 106.03 1jrk n GLY 23 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1jrk n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jrk n VAL 24 N 0.00 2.78 -2.29 1.61 0.24 -1.26 -3.25 118.33 116.16 1jrk n VAL 24 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1jrk n VAL 24 Cb 0.00 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.46 1jrk n VAL 24 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1jrk s TYR 25 N -1.60 3.33 0.18 6.34 1.51 0.36 -0.97 117.35 126.51 1jrk s TYR 25 Ca 0.71 1.30 -0.02 0.00 -1.01 0.00 0.00 57.07 58.05 1jrk s TYR 25 Cb -0.45 -3.53 -0.04 0.00 -0.11 0.00 0.00 41.96 37.83 1jrk s TYR 25 CO 0.52 -1.60 0.13 -1.50 -1.11 0.00 0.00 175.55 172.00 1jrk s ILE 26 N 0.09 0.03 0.42 2.71 2.07 -0.41 0.58 121.20 126.70 1jrk s ILE 26 Ca 0.55 -1.93 -0.21 0.00 -1.41 0.00 0.00 60.65 57.66 1jrk s ILE 26 Cb -0.35 -2.34 -0.11 0.00 0.13 0.00 0.00 42.46 39.80 1jrk s ILE 26 CO 0.37 -0.14 0.94 -0.72 -1.91 0.00 0.00 174.94 173.48 1jrk s TYR 27 N -4.12 3.32 0.43 3.50 -0.85 -1.26 -1.42 117.35 116.95 1jrk s TYR 27 Ca 0.33 1.59 -0.26 0.00 -0.52 0.00 0.00 57.07 58.22 1jrk s TYR 27 Cb 0.07 -2.83 -0.09 0.00 0.38 0.00 0.00 41.96 39.49 1jrk s TYR 27 CO 0.09 -0.09 1.36 -2.14 -1.52 0.00 0.00 175.55 173.25 1jrk s PRO 28 N -3.14 3.84 -0.08 -3.49 0.02 -1.25 -4.74 135.00 126.16 1jrk s PRO 28 Ca 0.61 2.28 -0.31 0.00 0.02 0.00 0.00 61.00 63.61 1jrk s PRO 28 Cb -0.09 -2.71 0.11 0.00 0.02 0.00 0.00 34.50 31.82 1jrk s PRO 28 CO 0.14 -0.64 1.37 0.20 -0.33 0.00 0.00 177.00 177.73 1jrk s GLY 29 N -0.62 -0.26 0.01 0.52 0.00 -1.26 0.31 107.32 106.01 1jrk s GLY 29 Ca 0.59 0.30 -0.28 0.00 0.00 0.00 0.00 44.72 45.33 1jrk s GLY 29 CO 0.52 5.30 1.26 -0.32 0.00 0.00 0.00 173.10 179.86 1jrk s GLY 30 N -3.74 -0.14 0.55 0.20 0.00 -0.75 -4.83 107.32 98.62 1jrk s GLY 30 Ca 0.28 0.08 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 1jrk s GLY 30 CO -0.03 4.43 1.04 0.30 0.00 0.00 0.00 173.10 178.84 1jrk s HIS 31 N -2.10 3.07 -0.25 1.90 3.76 -1.26 -0.86 115.29 119.54 1jrk s HIS 31 Ca 0.26 1.52 -0.16 0.00 -0.15 0.00 0.00 55.06 56.53 1jrk s HIS 31 Cb 0.00 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 1jrk s HIS 31 CO -0.00 -0.92 0.42 0.08 -0.85 0.00 0.00 174.74 173.47 1jrk s VAL 32 N -2.38 5.14 0.97 -0.90 1.01 -1.00 -4.87 120.40 118.38 1jrk s VAL 32 Ca 0.64 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 1jrk s VAL 32 Cb -0.15 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.66 1jrk s VAL 32 CO 0.32 0.15 1.10 -1.61 0.00 0.00 0.00 175.10 175.06 1jrk s GLU 33 N 2.01 0.66 0.13 2.72 2.02 -1.26 -4.94 118.70 120.05 1jrk s GLU 33 Ca 0.18 0.49 -0.26 0.00 0.02 0.00 0.00 54.97 55.39 1jrk s GLU 33 Cb -0.16 -1.77 -0.06 0.00 0.10 0.00 0.00 34.13 32.25 1jrk s GLU 33 CO 0.09 -2.57 1.45 1.12 0.02 0.00 0.00 175.26 175.38 1jrk h HIS 34 N -1.77 -1.60 0.00 1.61 2.07 -2.03 -3.32 115.15 110.11 1jrk h HIS 34 Ca -0.53 0.11 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1jrk h HIS 34 Cb 1.33 0.81 0.00 0.00 2.57 0.00 0.00 27.41 32.11 1jrk h HIS 34 CO 0.30 -0.31 0.00 0.27 -3.07 0.00 0.00 177.93 175.12 1jrk n ASN 35 N -4.89 0.00 -0.49 3.10 0.23 -1.26 -4.96 115.26 106.98 1jrk n ASN 35 Ca 0.02 0.03 -0.05 0.00 -0.53 0.00 0.00 54.58 54.05 1jrk n ASN 35 Cb 0.22 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1jrk n ASN 35 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1jrk n GLU 36 N -0.05 0.00 -2.56 -3.83 0.28 -1.25 -4.99 120.64 108.24 1jrk n GLU 36 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1jrk n GLU 36 Cb 0.00 -0.11 -0.00 0.00 1.43 0.00 0.00 31.44 32.76 1jrk n GLU 36 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1jrk s THR 37 N -0.19 4.89 0.46 3.84 -4.23 -1.26 -4.62 115.64 114.54 1jrk s THR 37 Ca 0.07 0.27 0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1jrk s THR 37 Cb -0.08 -3.87 0.37 0.00 1.34 0.00 0.00 72.50 70.27 1jrk s THR 37 CO 0.07 -0.88 1.95 -0.65 -0.54 0.00 0.00 174.62 174.58 1jrk h PRO 38 N 0.18 0.27 -0.48 3.99 0.11 -1.97 0.51 132.00 134.62 1jrk h PRO 38 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1jrk h PRO 38 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1jrk h PRO 38 CO 0.62 0.18 0.16 0.82 -0.21 0.00 0.00 178.00 179.57 1jrk h ILE 39 N 0.28 1.22 -0.32 4.15 1.08 -2.00 -0.41 117.51 121.51 1jrk h ILE 39 Ca 0.32 -0.71 -0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1jrk h ILE 39 Cb 0.87 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 1jrk h ILE 39 CO -0.08 0.26 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.07 1jrk h GLU 40 N 0.63 0.73 -0.31 2.37 5.08 -1.56 -2.85 114.58 118.68 1jrk h GLU 40 Ca 0.16 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1jrk h GLU 40 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1jrk h GLU 40 CO -0.01 0.98 0.12 0.00 -1.00 0.00 0.00 179.01 179.10 1jrk h ALA 41 N 0.74 0.36 -0.35 3.43 0.00 -0.77 -1.03 119.26 121.65 1jrk h ALA 41 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1jrk h ALA 41 Cb 0.81 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1jrk h ALA 41 CO 0.07 -0.27 -0.12 -0.24 0.00 0.00 0.00 179.25 178.69 1jrk h VAL 42 N 0.27 1.24 0.22 0.00 3.04 -1.06 0.60 116.25 120.55 1jrk h VAL 42 Ca 0.14 -1.08 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 1jrk h VAL 42 Cb 0.09 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1jrk h VAL 42 CO -0.13 0.36 -0.10 0.11 -1.01 0.00 0.00 177.57 176.80 1jrk h LYS 43 N 0.55 -0.28 -0.10 4.17 1.57 -1.22 -1.53 116.57 119.73 1jrk h LYS 43 Ca 0.10 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1jrk h LYS 43 Cb 0.53 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1jrk h LYS 43 CO 0.03 -0.07 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.74 1jrk h ARG 44 N -0.46 0.01 -0.59 3.15 2.43 -1.07 -1.89 114.38 115.97 1jrk h ARG 44 Ca -0.03 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1jrk h ARG 44 Cb 0.35 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1jrk h ARG 44 CO 0.05 0.01 0.20 0.93 -1.51 0.00 0.00 179.97 179.64 1jrk h GLU 45 N 0.01 0.91 -0.47 0.20 4.39 -0.89 -1.07 114.58 117.67 1jrk h GLU 45 Ca 0.05 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1jrk h GLU 45 Cb 0.07 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1jrk h GLU 45 CO -0.09 0.81 0.01 0.35 -1.16 0.00 0.00 179.01 178.92 1jrk h PHE 46 N 0.83 0.81 -0.09 4.33 3.57 -1.21 -0.71 116.94 124.49 1jrk h PHE 46 Ca 0.19 -0.11 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 1jrk h PHE 46 Cb 0.27 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1jrk h PHE 46 CO 0.02 0.75 -0.53 1.49 -2.23 0.00 0.00 178.31 177.82 1jrk h GLU 47 N 0.72 0.51 0.00 1.11 4.81 -1.15 -1.50 114.58 119.08 1jrk h GLU 47 Ca 0.14 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1jrk h GLU 47 Cb 0.43 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1jrk h GLU 47 CO 0.02 1.06 -0.23 1.05 -0.73 0.00 0.00 179.01 180.18 1jrk h GLU 48 N 0.09 0.00 0.00 1.92 4.11 -1.00 0.76 114.58 120.46 1jrk h GLU 48 Ca -0.04 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.21 1jrk h GLU 48 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1jrk h GLU 48 CO 0.11 0.23 -1.45 0.39 0.07 0.00 0.00 179.01 178.35 1jrk n GLU 49 N -3.58 0.62 0.00 1.06 1.02 -0.29 -4.64 120.64 114.83 1jrk n GLU 49 Ca -0.01 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1jrk n GLU 49 Cb 0.37 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1jrk n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jrk n THR 50 N -2.88 0.00 0.00 2.62 -2.24 -0.57 -4.30 114.28 106.91 1jrk n THR 50 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1jrk n THR 50 Cb 0.85 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1jrk n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrk n GLY 51 N 1.91 3.43 3.76 3.38 0.00 0.25 0.23 105.19 118.16 1jrk n GLY 51 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jrk n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrk s ILE 52 N -2.99 4.34 -0.20 -0.61 -1.09 -1.25 -1.62 121.20 117.79 1jrk s ILE 52 Ca 0.00 1.82 -0.09 0.00 -2.23 0.00 0.00 60.65 60.14 1jrk s ILE 52 Cb 0.00 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1jrk s ILE 52 CO 0.00 0.49 0.11 -0.69 -1.23 0.00 0.00 174.94 173.62 1jrk s VAL 53 N -0.95 5.23 0.35 2.92 1.01 0.11 -3.20 120.40 125.86 1jrk s VAL 53 Ca 0.38 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.54 1jrk s VAL 53 Cb -0.24 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1jrk s VAL 53 CO 0.28 0.44 0.02 0.68 0.00 0.00 0.00 175.10 176.52 1jrk s VAL 54 N 0.43 1.57 -0.10 2.92 -7.23 -1.26 0.05 120.40 116.79 1jrk s VAL 54 Ca 0.07 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1jrk s VAL 54 Cb -0.12 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 34.01 1jrk s VAL 54 CO -0.01 -0.04 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.95 1jrk s GLU 55 N -3.80 1.59 0.38 4.82 2.56 0.11 -4.82 118.70 119.55 1jrk s GLU 55 Ca 0.35 -0.32 -0.25 0.00 0.00 0.00 0.00 54.97 54.75 1jrk s GLU 55 Cb 0.09 -1.52 -0.09 0.00 2.00 0.00 0.00 34.13 34.61 1jrk s GLU 55 CO 0.16 -0.16 1.11 -2.14 -0.56 0.00 0.00 175.26 173.67 1jrk s PRO 56 N 1.32 4.20 0.08 4.30 0.02 -1.26 -1.02 135.00 142.64 1jrk s PRO 56 Ca -0.02 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.72 1jrk s PRO 56 Cb -0.14 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 1jrk s PRO 56 CO -0.04 -0.15 -0.07 0.96 -0.33 0.00 0.00 177.00 177.37 1jrk s ILE 57 N -1.47 0.68 -3.06 2.83 -4.36 0.55 -4.90 121.20 111.48 1jrk s ILE 57 Ca 0.55 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 1jrk s ILE 57 Cb -0.27 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.05 1jrk s ILE 57 CO 0.35 -0.72 0.00 0.61 0.24 0.00 0.00 174.94 175.41 1jrk n GLY 58 N 0.38 -1.82 3.76 6.27 0.00 -1.26 -4.08 105.19 108.45 1jrk n GLY 58 Ca -0.15 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1jrk n GLY 58 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jrk s PHE 59 N -2.46 3.31 -0.05 1.61 5.36 -1.26 -4.63 117.98 119.86 1jrk s PHE 59 Ca 0.00 1.57 -0.09 0.00 -0.96 0.00 0.00 56.93 57.44 1jrk s PHE 59 Cb 0.00 -3.46 0.02 0.00 -0.34 0.00 0.00 43.02 39.23 1jrk s PHE 59 CO 0.00 -1.17 0.23 0.95 -1.46 0.00 0.00 175.22 173.76 1jrk s THR 60 N -1.17 0.03 0.15 0.12 -4.23 -1.26 -0.95 115.64 108.33 1jrk s THR 60 Ca 0.47 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1jrk s THR 60 Cb -0.35 -0.41 -0.12 0.00 1.34 0.00 0.00 72.50 72.96 1jrk s THR 60 CO 0.46 -0.14 1.40 1.88 -0.54 0.00 0.00 174.62 177.68 1jrk h TYR 61 N 5.05 0.78 0.00 3.99 -1.99 -1.96 -3.48 116.97 119.36 1jrk h TYR 61 Ca -0.28 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1jrk h TYR 61 Cb 1.19 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1jrk h TYR 61 CO 0.47 1.12 0.00 0.41 -0.00 0.00 0.00 178.16 180.16 1jrk n GLY 62 N 0.56 1.98 3.71 3.88 0.00 -1.26 -5.11 105.19 108.94 1jrk n GLY 62 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jrk n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrk s ILE 63 N -2.00 4.48 -0.19 -0.61 1.01 -1.26 -5.00 121.20 117.63 1jrk s ILE 63 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.14 1jrk s ILE 63 Cb 0.00 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.46 1jrk s ILE 63 CO 0.00 0.11 1.05 -0.51 0.00 0.00 0.00 174.94 175.58 1jrk s ILE 64 N 1.29 0.00 0.00 2.92 2.07 -1.26 -1.53 121.20 124.70 1jrk s ILE 64 Ca 0.55 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.79 1jrk s ILE 64 Cb -0.24 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.35 1jrk s ILE 64 CO 0.27 0.00 0.00 -0.90 -1.91 0.00 0.00 174.94 172.40 1jrk n ASP 65 N 0.90 0.00 0.00 4.50 5.68 -0.56 -4.97 116.55 122.10 1jrk n ASP 65 Ca -0.09 -0.26 0.08 0.00 -0.50 0.00 0.00 54.79 54.01 1jrk n ASP 65 Cb 0.58 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.98 1jrk n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jrk n GLU 66 N 0.00 0.29 0.00 0.11 4.71 -1.26 -3.44 120.64 121.05 1jrk n GLU 66 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1jrk n GLU 66 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1jrk n GLU 66 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jrk n ASN 67 N -1.22 0.68 -3.51 1.62 3.02 -1.26 -5.09 115.26 109.50 1jrk n ASN 67 Ca 0.09 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 1jrk n ASN 67 Cb 0.11 0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 1jrk n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jrk s ALA 68 N -0.82 -1.81 -0.02 5.41 0.00 -1.22 -5.15 121.76 118.14 1jrk s ALA 68 Ca 0.00 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1jrk s ALA 68 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1jrk s ALA 68 CO 0.00 -0.61 -0.04 0.54 0.00 0.00 0.00 175.76 175.65 1jrk s VAL 69 N -2.74 0.39 0.19 0.00 0.11 -1.26 -1.49 120.40 115.60 1jrk s VAL 69 Ca 0.02 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.66 1jrk s VAL 69 Cb -0.01 -0.39 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 1jrk s VAL 69 CO -0.06 0.16 1.15 -0.70 -3.33 0.00 0.00 175.10 172.31 1jrk s GLU 70 N 0.49 4.54 -0.10 1.54 2.12 -0.58 -5.00 118.70 121.71 1jrk s GLU 70 Ca -0.06 1.81 -0.05 0.00 0.36 0.00 0.00 54.97 57.04 1jrk s GLU 70 Cb -0.09 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1jrk s GLU 70 CO -0.00 -0.00 0.09 1.03 -0.54 0.00 0.00 175.26 175.84 1jrk s ARG 71 N -0.41 3.27 0.38 4.30 1.81 -1.26 -4.98 118.95 122.07 1jrk s ARG 71 Ca 0.51 -0.24 -0.26 0.00 -1.72 0.00 0.00 55.73 54.02 1jrk s ARG 71 Cb -0.31 -3.04 -0.11 0.00 -0.45 0.00 0.00 34.95 31.03 1jrk s ARG 71 CO 0.37 0.75 1.05 -0.35 -0.68 0.00 0.00 175.30 176.43 1jrk n PRO 72 N 1.98 1.46 -2.19 3.54 -0.04 -1.26 -4.87 135.00 133.62 1jrk n PRO 72 Ca -0.19 0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 63.41 1jrk n PRO 72 Cb 0.54 -2.04 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1jrk n PRO 72 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1jrk s MET 73 N -1.91 3.92 0.69 0.54 -1.94 -0.12 -4.92 119.30 115.56 1jrk s MET 73 Ca 0.61 1.93 -0.11 0.00 -1.71 0.00 0.00 55.69 56.41 1jrk s MET 73 Cb -0.59 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 33.63 1jrk s MET 73 CO 0.58 -0.46 1.06 -2.14 -0.01 0.00 0.00 175.02 174.05 1jrk s PRO 74 N -2.39 2.97 0.22 2.03 0.02 -1.26 -4.41 135.00 132.18 1jrk s PRO 74 Ca 0.59 0.98 -0.04 0.00 0.02 0.00 0.00 61.00 62.55 1jrk s PRO 74 Cb -0.33 -1.99 0.19 0.00 0.02 0.00 0.00 34.50 32.39 1jrk s PRO 74 CO 0.41 -1.08 1.64 1.25 -0.33 0.00 0.00 177.00 178.90 1jrk h LEU 75 N -0.61 0.80 -7.00 -5.54 5.85 -0.17 -3.47 115.31 105.18 1jrk h LEU 75 Ca -0.44 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.13 1jrk h LEU 75 Cb 1.21 -0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.85 1jrk h LEU 75 CO 0.57 0.98 0.56 0.54 -0.34 0.00 0.00 178.44 180.74 1jrk s VAL 76 N -4.68 0.00 -0.16 1.05 0.11 -1.10 -5.05 120.40 110.58 1jrk s VAL 76 Ca -0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1jrk s VAL 76 Cb 0.13 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1jrk s VAL 76 CO 0.83 0.00 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.85 1jrk s ILE 77 N -2.63 1.50 -0.10 7.04 1.01 -1.26 -1.68 121.20 125.09 1jrk s ILE 77 Ca 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1jrk s ILE 77 Cb -0.01 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1jrk s ILE 77 CO -0.06 0.36 -0.16 -0.76 0.00 0.00 0.00 174.94 174.32 1jrk s LEU 78 N 1.50 2.55 -0.49 2.97 1.43 -0.89 -4.94 118.68 120.82 1jrk s LEU 78 Ca 0.03 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1jrk s LEU 78 Cb -0.14 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1jrk s LEU 78 CO -0.10 0.22 0.54 -0.70 0.23 0.00 0.00 176.35 176.54 1jrk s GLU 79 N 0.00 3.08 -0.16 1.70 2.12 -1.26 -0.81 118.70 123.38 1jrk s GLU 79 Ca -0.05 -1.00 -0.08 0.00 0.36 0.00 0.00 54.97 54.19 1jrk s GLU 79 Cb -0.14 -4.09 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 1jrk s GLU 79 CO 0.04 -1.12 0.14 -1.21 -0.54 0.00 0.00 175.26 172.57 1jrk s GLU 80 N 2.29 3.79 -0.32 4.30 2.02 0.22 -4.92 118.70 126.08 1jrk s GLU 80 Ca 0.12 -0.17 -0.12 0.00 0.02 0.00 0.00 54.97 54.82 1jrk s GLU 80 Cb -0.20 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 1jrk s GLU 80 CO 0.11 0.55 0.20 0.08 0.02 0.00 0.00 175.26 176.22 1jrk s VAL 81 N -0.38 5.06 -0.39 2.63 1.01 -1.26 -1.50 120.40 125.57 1jrk s VAL 81 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1jrk s VAL 81 Cb -0.12 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1jrk s VAL 81 CO 0.01 0.05 0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1jrk s VAL 82 N 1.69 3.64 -0.26 2.92 1.01 -0.43 -5.01 120.40 123.96 1jrk s VAL 82 Ca 0.06 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.13 1jrk s VAL 82 Cb -0.17 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1jrk s VAL 82 CO 0.09 -0.49 0.99 -0.54 0.00 0.00 0.00 175.10 175.15 1jrk s LYS 83 N 1.29 4.17 0.15 2.72 1.02 -1.26 -2.40 119.74 125.42 1jrk s LYS 83 Ca 0.03 1.15 0.11 0.00 0.02 0.00 0.00 55.97 57.27 1jrk s LYS 83 Cb -0.22 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1jrk s LYS 83 CO -0.01 -0.68 -0.24 0.71 -0.92 0.00 0.00 175.35 174.21 1jrk s TYR 84 N 3.23 2.36 0.27 3.18 4.12 -0.22 -5.04 117.35 125.26 1jrk s TYR 84 Ca 0.42 -0.35 -0.01 0.00 0.02 0.00 0.00 57.07 57.15 1jrk s TYR 84 Cb -0.14 -1.24 0.47 0.00 -1.52 0.00 0.00 41.96 39.54 1jrk s TYR 84 CO 0.09 0.40 1.84 -1.35 0.02 0.00 0.00 175.55 176.56 1jrk h PRO 85 N 3.61 0.97 -0.08 -1.71 0.11 -2.03 -1.85 132.00 131.02 1jrk h PRO 85 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1jrk h PRO 85 Cb 1.18 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1jrk h PRO 85 CO 0.44 0.64 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 1jrk n GLU 86 N -4.62 1.40 -3.63 1.05 0.00 -1.26 -4.99 120.64 108.59 1jrk n GLU 86 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 57.16 56.72 1jrk n GLU 86 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1jrk n GLU 86 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1jrk n GLU 87 N -0.19 -1.41 -3.66 3.44 0.28 -0.70 -5.13 120.64 113.26 1jrk n GLU 87 Ca 0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 1jrk n GLU 87 Cb 0.22 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.91 1jrk n GLU 87 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1jrk s THR 88 N -3.00 -0.14 0.14 3.84 2.01 -1.26 -1.05 115.64 116.18 1jrk s THR 88 Ca 0.00 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1jrk s THR 88 Cb 0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1jrk s THR 88 CO 0.00 0.14 0.22 -1.00 -0.69 0.00 0.00 174.62 173.28 1jrk s HIS 89 N 2.19 3.36 -0.13 4.92 0.09 -1.01 -4.95 115.29 119.76 1jrk s HIS 89 Ca 0.04 0.08 0.02 0.00 -0.00 0.00 0.00 55.06 55.21 1jrk s HIS 89 Cb -0.12 -1.62 0.00 0.00 -0.00 0.00 0.00 32.58 30.84 1jrk s HIS 89 CO -0.04 0.52 -0.20 0.42 -0.00 0.00 0.00 174.74 175.44 1jrk s ILE 90 N -1.70 2.29 -0.18 0.60 -1.09 -1.26 -1.31 121.20 118.55 1jrk s ILE 90 Ca 0.33 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1jrk s ILE 90 Cb -0.11 -1.92 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1jrk s ILE 90 CO 0.26 0.54 -0.19 -1.00 -1.23 0.00 0.00 174.94 173.33 1jrk s HIS 91 N 0.63 2.79 -0.52 3.97 3.76 -0.56 -0.24 115.29 125.11 1jrk s HIS 91 Ca -0.11 -1.60 -0.20 0.00 -0.15 0.00 0.00 55.06 53.00 1jrk s HIS 91 Cb -0.16 -1.93 0.06 0.00 1.11 0.00 0.00 32.58 31.65 1jrk s HIS 91 CO 0.03 -0.79 0.69 0.12 -0.85 0.00 0.00 174.74 173.94 1jrk s PHE 92 N 1.30 2.99 -0.52 1.40 5.36 -0.50 -0.61 117.98 127.40 1jrk s PHE 92 Ca 0.05 -0.46 -0.17 0.00 -0.96 0.00 0.00 56.93 55.38 1jrk s PHE 92 Cb -0.13 -3.67 0.08 0.00 -0.34 0.00 0.00 43.02 38.96 1jrk s PHE 92 CO -0.12 -1.11 0.55 0.34 -1.46 0.00 0.00 175.22 173.41 1jrk s ASP 93 N 2.78 6.19 -0.64 6.13 -1.08 0.01 -0.16 116.67 129.90 1jrk s ASP 93 Ca 0.18 -1.29 -0.26 0.00 -0.52 0.00 0.00 52.55 50.65 1jrk s ASP 93 Cb -0.18 -2.25 0.04 0.00 -1.46 0.00 0.00 42.92 39.07 1jrk s ASP 93 CO 0.13 -0.86 1.13 -0.76 0.52 0.00 0.00 175.17 175.33 1jrk s LEU 94 N 2.17 3.65 -0.38 -1.34 1.43 -0.03 -2.09 118.68 122.08 1jrk s LEU 94 Ca 0.09 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 1jrk s LEU 94 Cb -0.24 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.20 1jrk s LEU 94 CO 0.08 -1.53 0.38 -0.63 0.23 0.00 0.00 176.35 174.88 1jrk s ILE 95 N 4.84 5.15 0.08 -0.59 1.01 -0.68 -0.65 121.20 130.37 1jrk s ILE 95 Ca 0.34 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1jrk s ILE 95 Cb -0.10 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1jrk s ILE 95 CO 0.18 -0.26 0.10 -0.31 0.00 0.00 0.00 174.94 174.66 1jrk s TYR 96 N 2.01 3.23 0.10 3.97 1.51 0.01 0.60 117.35 128.78 1jrk s TYR 96 Ca 0.11 0.09 -0.27 0.00 -1.01 0.00 0.00 57.07 55.99 1jrk s TYR 96 Cb -0.17 -1.63 -0.06 0.00 -0.11 0.00 0.00 41.96 39.99 1jrk s TYR 96 CO 0.12 0.53 0.85 -1.17 -1.11 0.00 0.00 175.55 174.77 1jrk s LEU 97 N -2.47 4.50 0.04 -1.29 2.96 -1.26 -0.63 118.68 120.54 1jrk s LEU 97 Ca 0.30 1.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 1jrk s LEU 97 Cb -0.12 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 1jrk s LEU 97 CO 0.23 0.03 -0.06 0.68 -1.32 0.00 0.00 176.35 175.90 1jrk s VAL 98 N -0.28 0.43 0.13 1.68 -7.23 -0.36 -0.33 120.40 114.44 1jrk s VAL 98 Ca 0.41 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.53 1jrk s VAL 98 Cb -0.22 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1jrk s VAL 98 CO 0.26 -0.48 -0.14 -1.59 -0.31 0.00 0.00 175.10 172.85 1jrk s LYS 99 N -1.82 1.93 -0.01 4.82 -2.85 -0.19 -4.38 119.74 117.24 1jrk s LYS 99 Ca -0.09 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.42 1jrk s LYS 99 Cb -0.08 -2.18 -0.03 0.00 -2.06 0.00 0.00 37.83 33.48 1jrk s LYS 99 CO -0.01 0.48 1.03 0.50 0.10 0.00 0.00 175.35 177.45 1jrk s ARG 100 N -2.30 4.51 -0.05 1.78 3.52 -1.26 0.08 118.95 125.23 1jrk s ARG 100 Ca 0.20 1.48 0.09 0.00 -0.13 0.00 0.00 55.73 57.38 1jrk s ARG 100 Cb -0.10 -3.46 0.16 0.00 -1.56 0.00 0.00 34.95 29.98 1jrk s ARG 100 CO 0.12 -0.15 1.08 1.33 -0.81 0.00 0.00 175.30 176.87 1jrk n VAL 101 N 4.05 0.70 -1.35 7.11 0.24 0.11 -4.91 118.33 124.28 1jrk n VAL 101 Ca 0.07 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1jrk n VAL 101 Cb 0.50 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1jrk n VAL 101 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jrk n GLY 102 N -0.45 -1.10 2.06 7.63 0.00 -1.12 -4.90 105.19 107.32 1jrk n GLY 102 Ca 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1jrk n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrk n GLY 103 N -0.66 -2.25 3.10 -0.02 0.00 -1.26 0.07 105.19 104.17 1jrk n GLY 103 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1jrk n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jrk s ASP 104 N -2.58 -0.12 -0.04 1.61 -0.00 -0.64 -4.78 116.67 110.12 1jrk s ASP 104 Ca 0.00 0.16 -0.31 0.00 -0.00 0.00 0.00 52.55 52.40 1jrk s ASP 104 Cb 0.00 0.33 -0.10 0.00 -0.00 0.00 0.00 42.92 43.15 1jrk s ASP 104 CO 0.00 -0.20 1.98 -0.11 -0.00 0.00 0.00 175.17 176.84 1jrk n LEU 105 N 2.33 3.79 -0.02 1.23 7.94 -1.26 -3.82 117.00 127.19 1jrk n LEU 105 Ca -0.17 0.84 -0.02 0.00 -1.11 0.00 0.00 56.01 55.56 1jrk n LEU 105 Cb 0.57 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1jrk n LEU 105 CO 0.20 0.01 -0.63 0.29 -1.11 0.00 0.00 177.39 176.15 1jrk n LYS 106 N 7.39 2.97 -3.66 1.96 4.76 0.14 -4.98 118.16 126.73 1jrk n LYS 106 Ca 0.22 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.51 1jrk n LYS 106 Cb 0.37 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.37 1jrk n LYS 106 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1jrk s ASN 107 N -3.40 -0.55 0.00 4.39 3.04 -0.95 -4.99 114.94 112.48 1jrk s ASN 107 Ca -0.02 0.92 0.00 0.00 0.04 0.00 0.00 52.86 53.80 1jrk s ASN 107 Cb 0.01 0.92 0.00 0.00 -1.54 0.00 0.00 41.25 40.65 1jrk s ASN 107 CO 0.17 -0.31 0.00 0.61 -3.04 0.00 0.00 177.10 174.53 1jrk n GLY 108 N 2.20 2.06 2.99 1.21 0.00 -1.26 -4.30 105.19 108.09 1jrk n GLY 108 Ca -0.16 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.54 1jrk n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jrk s GLU 109 N -1.93 1.07 -0.51 1.61 2.02 -0.55 -4.97 118.70 115.43 1jrk s GLU 109 Ca 0.00 -0.29 -0.28 0.00 0.02 0.00 0.00 54.97 54.42 1jrk s GLU 109 Cb 0.00 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.26 1jrk s GLU 109 CO 0.00 0.07 1.49 -1.58 0.02 0.00 0.00 175.26 175.26 1jrk s TRP 110 N 0.38 2.20 -0.30 1.61 0.52 -1.26 -1.75 118.94 120.34 1jrk s TRP 110 Ca -0.06 0.56 -0.15 0.00 0.02 0.00 0.00 56.10 56.47 1jrk s TRP 110 Cb -0.11 -4.32 -0.03 0.00 -1.15 0.00 0.00 33.47 27.86 1jrk s TRP 110 CO 0.01 -2.10 0.37 0.42 0.02 0.00 0.00 176.95 175.67 1jrk s ILE 111 N 6.29 5.17 0.05 2.03 -1.09 0.15 -4.84 121.20 128.95 1jrk s ILE 111 Ca 0.58 0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 59.09 1jrk s ILE 111 Cb -0.13 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 1jrk s ILE 111 CO 0.27 0.06 1.84 -0.62 -1.23 0.00 0.00 174.94 175.26 1jrk s ASP 112 N 1.68 6.50 0.17 3.58 -1.08 -1.26 -0.93 116.67 125.34 1jrk s ASP 112 Ca 0.14 2.60 0.16 0.00 -0.52 0.00 0.00 52.55 54.93 1jrk s ASP 112 Cb -0.16 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.51 1jrk s ASP 112 CO 0.11 -1.00 1.50 1.33 0.52 0.00 0.00 175.17 177.63 1jrk n VAL 113 N 5.21 1.17 1.38 1.11 0.24 -0.59 -0.89 118.33 125.97 1jrk n VAL 113 Ca 0.18 0.44 0.15 0.00 -2.04 0.00 0.00 64.34 63.07 1jrk n VAL 113 Cb 0.40 -1.37 0.70 0.00 -1.47 0.00 0.00 33.84 32.11 1jrk n VAL 113 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jrk n ARG 114 N -1.94 0.45 -0.00 7.34 1.74 -1.26 -3.58 116.66 119.41 1jrk n ARG 114 Ca 0.01 -0.05 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 1jrk n ARG 114 Cb 0.11 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 1jrk n ARG 114 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jrk n GLU 115 N -1.23 4.26 -0.25 5.56 1.02 -0.06 -4.79 120.64 125.15 1jrk n GLU 115 Ca 0.14 -0.01 0.32 0.00 -0.02 0.00 0.00 57.16 57.59 1jrk n GLU 115 Cb 0.26 -0.76 0.62 0.00 -0.02 0.00 0.00 31.44 31.54 1jrk n GLU 115 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1jrk h ILE 116 N 0.00 0.14 -0.00 -3.67 6.09 -1.51 -1.53 117.51 117.02 1jrk h ILE 116 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1jrk h ILE 116 Cb 0.08 0.20 0.00 0.00 0.47 0.00 0.00 36.82 37.57 1jrk h ILE 116 CO 0.00 0.00 -0.03 0.47 -3.07 0.00 0.00 178.15 175.52 1jrk n ASP 117 N -3.60 0.13 -0.95 2.19 8.00 -1.26 -3.13 116.55 117.93 1jrk n ASP 117 Ca 0.24 -0.44 0.03 0.00 0.71 0.00 0.00 54.79 55.33 1jrk n ASP 117 Cb 1.38 -0.17 0.15 0.00 -0.02 0.00 0.00 41.12 42.46 1jrk n ASP 117 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jrk n ARG 118 N -1.13 1.44 -4.55 -1.24 -4.01 -0.58 -4.99 116.66 101.61 1jrk n ARG 118 Ca 0.16 -3.12 -0.24 0.00 -1.04 0.00 0.00 57.85 53.61 1jrk n ARG 118 Cb 0.22 -1.35 -0.17 0.00 -3.04 0.00 0.00 32.46 28.13 1jrk n ARG 118 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1jrk s ILE 119 N -2.71 1.11 -0.40 8.89 1.01 -1.18 -5.10 121.20 122.81 1jrk s ILE 119 Ca 0.38 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 1jrk s ILE 119 Cb 0.38 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1jrk s ILE 119 CO -0.08 0.35 1.64 -0.70 0.00 0.00 0.00 174.94 176.15 1jrk s GLU 120 N 0.71 3.36 0.39 2.79 2.12 -1.26 -4.98 118.70 121.83 1jrk s GLU 120 Ca -0.14 1.12 0.08 0.00 0.36 0.00 0.00 54.97 56.39 1jrk s GLU 120 Cb -0.16 -4.15 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 1jrk s GLU 120 CO 0.03 -1.83 0.15 0.95 -0.54 0.00 0.00 175.26 174.02 1jrk s THR 121 N 6.50 2.44 0.51 -1.70 -4.23 -1.26 -0.49 115.64 117.42 1jrk s THR 121 Ca 0.70 -1.74 -0.20 0.00 -1.18 0.00 0.00 61.69 59.27 1jrk s THR 121 Cb -0.18 -2.97 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 1jrk s THR 121 CO 0.32 -0.05 1.08 0.12 -0.54 0.00 0.00 174.62 175.54 1jrk s PHE 122 N -2.57 2.86 0.20 3.99 5.36 0.20 -4.64 117.98 123.38 1jrk s PHE 122 Ca 0.40 1.56 -0.31 0.00 -0.96 0.00 0.00 56.93 57.62 1jrk s PHE 122 Cb 0.03 -3.16 -0.16 0.00 -0.34 0.00 0.00 43.02 39.39 1jrk s PHE 122 CO 0.22 -1.15 0.96 -2.30 -1.46 0.00 0.00 175.22 171.49 1jrk n PRO 123 N -1.13 0.88 -0.63 10.12 -0.02 -1.26 -1.92 135.00 141.04 1jrk n PRO 123 Ca 0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1jrk n PRO 123 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1jrk n PRO 123 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jrk n ASN 124 N 1.72 0.00 -0.29 2.55 3.02 -1.26 -4.83 115.26 116.17 1jrk n ASN 124 Ca 0.14 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.71 1jrk n ASN 124 Cb 0.26 -1.64 0.15 0.00 -0.61 0.00 0.00 39.78 37.94 1jrk n ASN 124 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1jrk h VAL 125 N 0.00 0.96 -0.85 2.41 2.07 -1.75 -0.65 116.25 118.44 1jrk h VAL 125 Ca 0.00 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1jrk h VAL 125 Cb 0.00 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 1jrk h VAL 125 CO 0.00 0.15 0.43 0.03 0.02 0.00 0.00 177.57 178.20 1jrk h ARG 126 N 0.84 1.20 -0.55 1.57 3.08 -1.88 -0.55 114.38 118.09 1jrk h ARG 126 Ca 0.38 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1jrk h ARG 126 Cb 0.28 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1jrk h ARG 126 CO -0.21 0.91 0.32 0.87 -1.07 0.00 0.00 179.97 180.78 1jrk h LYS 127 N 1.20 0.76 -0.08 0.04 1.57 -1.63 -2.07 116.57 116.36 1jrk h LYS 127 Ca 0.29 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jrk h LYS 127 Cb 0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1jrk h LYS 127 CO -0.04 0.57 0.05 0.28 -0.57 0.00 0.00 179.45 179.73 1jrk h VAL 128 N 0.74 1.07 -0.75 0.50 2.07 -0.54 -0.63 116.25 118.71 1jrk h VAL 128 Ca 0.20 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1jrk h VAL 128 Cb 0.01 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1jrk h VAL 128 CO -0.03 0.06 0.49 0.58 0.02 0.00 0.00 177.57 178.69 1jrk h VAL 129 N 0.06 1.04 0.14 2.57 2.07 -1.01 0.27 116.25 121.38 1jrk h VAL 129 Ca 0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1jrk h VAL 129 Cb 0.06 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1jrk h VAL 129 CO -0.01 0.15 -0.07 0.28 0.02 0.00 0.00 177.57 177.95 1jrk h SER 130 N 0.82 -0.15 -0.19 0.57 0.02 -0.90 0.50 113.55 114.21 1jrk h SER 130 Ca 0.32 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1jrk h SER 130 Cb 0.21 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 1jrk h SER 130 CO -0.11 0.00 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.04 1jrk h LEU 131 N -0.31 -1.53 -0.75 5.07 3.38 0.13 0.19 115.31 121.50 1jrk h LEU 131 Ca -0.02 0.20 0.17 0.00 0.09 0.00 0.00 57.88 58.32 1jrk h LEU 131 Cb 0.25 0.62 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 1jrk h LEU 131 CO 0.03 -0.44 0.12 0.00 0.09 0.00 0.00 178.44 178.24 1jrk h ALA 132 N -0.00 0.92 0.37 1.53 0.00 -0.67 -1.88 119.26 119.53 1jrk h ALA 132 Ca 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1jrk h ALA 132 Cb 0.64 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jrk h ALA 132 CO -0.46 -0.39 -0.18 -0.07 0.00 0.00 0.00 179.25 178.16 1jrk h LEU 133 N 0.20 -0.42 -2.28 0.00 3.38 0.83 -2.23 115.31 114.79 1jrk h LEU 133 Ca 0.43 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.35 1jrk h LEU 133 Cb 0.76 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jrk h LEU 133 CO -0.58 -0.19 0.24 0.28 0.09 0.00 0.00 178.44 178.28 1jrk h SER 134 N -0.63 0.00 0.10 -0.43 0.02 -0.22 -0.53 113.55 111.86 1jrk h SER 134 Ca -0.05 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.66 1jrk h SER 134 Cb 0.46 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.02 1jrk h SER 134 CO 0.08 0.00 -1.01 0.74 -1.14 0.00 0.00 176.83 175.50 1jrk h THR 135 N 0.00 1.37 0.05 -2.27 2.02 -0.75 -2.22 112.91 111.11 1jrk h THR 135 Ca 0.03 -2.39 -0.24 0.00 0.77 0.00 0.00 66.41 64.57 1jrk h THR 135 Cb 0.50 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1jrk h THR 135 CO -0.00 0.71 -1.05 -0.07 0.37 0.00 0.00 175.52 175.48 1jrk h LEU 136 N 0.04 0.44 -0.28 2.58 3.38 -1.02 -2.14 115.31 118.31 1jrk h LEU 136 Ca -0.16 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 1jrk h LEU 136 Cb 1.73 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 1jrk h LEU 136 CO 0.19 1.24 -0.26 0.22 0.09 0.00 0.00 178.44 179.92 1jrk h TYR 137 N 0.15 0.80 -0.20 1.13 3.20 -1.23 1.51 116.97 122.33 1jrk h TYR 137 Ca -0.09 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 1jrk h TYR 137 Cb 1.72 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1jrk h TYR 137 CO 0.06 0.97 0.10 -0.09 -1.64 0.00 0.00 178.16 177.55 1jrk h ARG 138 N 0.40 0.28 -0.22 1.82 2.43 -1.45 0.14 114.38 117.79 1jrk h ARG 138 Ca 0.05 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 1jrk h ARG 138 Cb 0.83 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1jrk h ARG 138 CO 0.07 0.30 -0.64 -0.07 -1.51 0.00 0.00 179.97 178.12 1jrk h LEU 139 N 0.19 0.91 0.13 3.80 3.38 -1.39 -3.14 115.31 119.19 1jrk h LEU 139 Ca 0.07 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1jrk h LEU 139 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1jrk h LEU 139 CO -0.01 1.32 -0.26 1.23 0.09 0.00 0.00 178.44 180.82 1jrk h GLY 140 N 0.71 -1.12 -1.89 0.83 0.00 0.25 -2.28 103.07 99.58 1jrk h GLY 140 Ca -0.01 0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 1jrk h GLY 140 CO 0.13 -0.35 0.05 0.58 0.00 0.00 0.00 176.54 176.96 1jrk n LYS 141 N -3.90 1.38 -0.08 4.80 2.85 0.46 -1.71 118.16 121.96 1jrk n LYS 141 Ca -0.05 -0.47 -0.09 0.00 -1.05 0.00 0.00 58.31 56.65 1jrk n LYS 141 Cb 0.21 -1.38 -0.10 0.00 -0.65 0.00 0.00 35.03 33.12 1jrk n LYS 141 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1jrk n ILE 142 N 0.18 0.97 1.26 0.58 5.41 -0.94 -3.40 119.36 123.43 1jrk n ILE 142 Ca 0.07 -0.50 0.12 0.00 1.00 0.00 0.00 62.75 63.45 1jrk n ILE 142 Cb 0.55 -0.85 0.40 0.00 -0.71 0.00 0.00 39.64 39.03 1jrk n ILE 142 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1jrk n SER 143 N -2.73 1.87 -0.08 4.38 3.41 -0.90 -2.87 113.62 116.69 1jrk n SER 143 Ca -0.26 -1.66 -0.09 0.00 -0.26 0.00 0.00 58.87 56.59 1jrk n SER 143 Cb 0.90 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.68 1jrk n SER 143 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jrk n LYS 144 N 0.46 1.18 -0.09 4.33 4.81 -0.69 -3.02 118.16 125.14 1jrk n LYS 144 Ca 0.17 0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.51 1jrk n LYS 144 Cb 0.39 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 33.99 1jrk n LYS 144 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1jrk h LEU 145 N 0.00 0.66 -0.54 3.14 5.85 -1.62 -2.84 115.31 119.97 1jrk h LEU 145 Ca -0.44 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 57.90 1jrk h LEU 145 Cb 1.91 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.70 1jrk h LEU 145 CO -0.00 0.97 0.23 0.00 -0.34 0.00 0.00 178.44 179.31 1jrk h ALA 146 N 0.71 0.69 -0.86 1.25 0.00 -1.71 -3.17 119.26 116.18 1jrk h ALA 146 Ca 0.05 0.05 -0.65 0.00 0.00 0.00 0.00 54.91 54.36 1jrk h ALA 146 Cb 0.76 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1jrk h ALA 146 CO 0.06 -0.15 2.08 0.00 0.00 0.00 0.00 179.25 181.24 1jrk s ALA 147 N -6.12 3.17 0.00 0.00 0.00 -1.07 -5.09 121.76 112.66 1jrk s ALA 147 Ca -0.13 -2.81 0.00 0.00 0.00 0.00 0.00 51.96 49.02 1jrk s ALA 147 Cb 0.15 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1jrk s ALA 147 CO 0.74 -3.45 0.00 0.00 0.00 0.00 0.00 175.76 173.05