#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbk s VAL 9 N 0.00 -0.01 0.49 1.69 -7.23 -1.26 -4.96 120.40 109.12 1qbk s VAL 9 Ca 0.00 0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 1qbk s VAL 9 Cb 0.00 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 36.06 1qbk s VAL 9 CO 0.00 0.01 0.96 -1.10 -0.31 0.00 0.00 175.10 174.66 1qbk s GLN 10 N 0.95 4.00 -0.01 4.82 1.11 -1.25 -0.36 119.66 128.92 1qbk s GLN 10 Ca -0.05 0.96 -0.06 0.00 0.01 0.00 0.00 55.36 56.22 1qbk s GLN 10 Cb -0.05 -2.16 0.00 0.00 -1.01 0.00 0.00 33.01 29.79 1qbk s GLN 10 CO -0.08 -0.20 0.12 -0.06 0.01 0.00 0.00 175.29 175.07 1qbk s PHE 11 N -2.51 0.03 -0.70 0.91 0.08 -0.60 -4.92 117.98 110.26 1qbk s PHE 11 Ca 0.59 -0.08 -0.16 0.00 0.12 0.00 0.00 56.93 57.40 1qbk s PHE 11 Cb -0.10 -0.04 0.15 0.00 -0.57 0.00 0.00 43.02 42.46 1qbk s PHE 11 CO 0.27 -0.24 0.73 0.21 -0.10 0.00 0.00 175.22 176.09 1qbk s LYS 12 N -1.13 3.29 -0.33 0.44 2.47 -1.26 -2.00 119.74 121.21 1qbk s LYS 12 Ca -0.12 -1.86 -0.06 0.00 -1.56 0.00 0.00 55.97 52.37 1qbk s LYS 12 Cb -0.07 -4.41 0.04 0.00 -1.46 0.00 0.00 37.83 31.94 1qbk s LYS 12 CO 0.01 -1.43 0.09 -1.17 0.16 0.00 0.00 175.35 173.01 1qbk s LEU 13 N 1.56 4.26 -0.08 5.43 2.96 -1.11 0.28 118.68 131.98 1qbk s LEU 13 Ca 0.14 -1.17 -0.19 0.00 -0.22 0.00 0.00 54.13 52.68 1qbk s LEU 13 Cb -0.19 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1qbk s LEU 13 CO -0.02 -0.32 0.53 0.68 -1.32 0.00 0.00 176.35 175.91 1qbk s VAL 14 N 1.37 5.10 -0.95 1.68 -7.23 0.11 -0.76 120.40 119.72 1qbk s VAL 14 Ca -0.02 1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 61.23 1qbk s VAL 14 Cb -0.20 -3.87 0.29 0.00 0.56 0.00 0.00 36.38 33.17 1qbk s VAL 14 CO 0.02 0.35 1.28 -0.11 -0.31 0.00 0.00 175.10 176.33 1qbk n LEU 15 N 3.37 5.70 0.00 1.32 0.00 -0.56 -1.31 117.00 125.52 1qbk n LEU 15 Ca -0.06 -5.29 0.00 0.00 0.00 0.00 0.00 56.01 50.65 1qbk n LEU 15 Cb 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 43.42 42.84 1qbk n LEU 15 CO 0.43 1.81 0.00 1.33 0.00 0.00 0.00 177.39 180.97 1qbk n VAL 16 N 1.13 0.00 0.00 1.96 0.24 -1.09 -3.15 118.33 117.42 1qbk n VAL 16 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 1qbk n VAL 16 Cb 0.35 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1qbk n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qbk n GLY 17 N 1.21 1.65 2.99 7.63 0.00 -1.26 -4.83 105.19 112.58 1qbk n GLY 17 Ca 0.00 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1qbk n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qbk n ASP 18 N -0.09 -2.93 -4.75 1.61 -0.08 -1.26 -4.38 116.55 104.67 1qbk n ASP 18 Ca 0.00 -0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 1qbk n ASP 18 Cb 0.00 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 42.90 1qbk n ASP 18 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1qbk s GLY 19 N -1.01 3.02 0.00 0.27 0.00 -1.26 -3.92 107.32 104.42 1qbk s GLY 19 Ca 0.34 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1qbk s GLY 19 CO 0.62 1.14 0.00 0.61 0.00 0.00 0.00 173.10 175.46 1qbk n GLY 20 N 1.72 2.54 0.38 0.20 0.00 -1.26 -4.89 105.19 103.89 1qbk n GLY 20 Ca -0.02 -0.03 0.24 0.00 0.00 0.00 0.00 46.02 46.21 1qbk n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qbk n THR 21 N 0.00 0.00 0.00 2.61 -2.24 -1.25 -4.62 114.28 108.78 1qbk n THR 21 Ca 0.00 0.86 0.00 0.00 -2.27 0.00 0.00 64.05 62.64 1qbk n THR 21 Cb 0.00 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1qbk n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qbk n GLY 22 N -1.46 1.26 0.11 3.38 0.00 -1.26 -4.76 105.19 102.46 1qbk n GLY 22 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1qbk n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qbk n LYS 23 N 0.00 -0.10 0.25 1.61 5.02 -1.26 0.12 118.16 123.80 1qbk n LYS 23 Ca 0.00 0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.81 1qbk n LYS 23 Cb 0.00 -0.60 0.61 0.00 -0.02 0.00 0.00 35.03 35.03 1qbk n LYS 23 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1qbk h THR 24 N 0.00 0.50 0.10 -0.18 2.02 -1.93 -2.25 112.91 111.18 1qbk h THR 24 Ca 0.06 -0.80 -0.33 0.00 0.77 0.00 0.00 66.41 66.11 1qbk h THR 24 Cb 0.13 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1qbk h THR 24 CO -0.25 0.16 -1.77 0.71 0.37 0.00 0.00 175.52 174.73 1qbk h THR 25 N 0.00 0.74 -0.38 3.16 1.35 0.53 -3.05 112.91 115.27 1qbk h THR 25 Ca -0.00 -2.33 0.07 0.00 -0.55 0.00 0.00 66.41 63.61 1qbk h THR 25 Cb 0.53 2.49 -0.09 0.00 -1.73 0.00 0.00 68.15 69.35 1qbk h THR 25 CO 0.02 0.76 -0.35 0.15 -0.25 0.00 0.00 175.52 175.85 1qbk h PHE 26 N -0.18 -0.99 -0.37 4.73 3.57 -0.38 0.29 116.94 123.61 1qbk h PHE 26 Ca -0.39 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1qbk h PHE 26 Cb 1.86 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 41.08 1qbk h PHE 26 CO 0.09 -0.40 0.17 0.28 -2.23 0.00 0.00 178.31 176.22 1qbk h VAL 27 N -0.28 1.17 -1.00 1.41 2.07 -1.58 -2.09 116.25 115.95 1qbk h VAL 27 Ca 0.16 -0.49 0.24 0.00 0.82 0.00 0.00 66.70 67.43 1qbk h VAL 27 Cb 0.55 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 1qbk h VAL 27 CO -0.54 0.18 0.64 0.11 0.02 0.00 0.00 177.57 177.98 1qbk h LYS 28 N 0.45 0.47 -0.41 1.57 1.79 -0.90 -1.58 116.57 117.96 1qbk h LYS 28 Ca 0.13 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1qbk h LYS 28 Cb 0.13 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 1qbk h LYS 28 CO -0.02 0.31 0.11 0.00 -1.08 0.00 0.00 179.45 178.78 1qbk h ARG 29 N 0.49 0.24 0.00 3.15 2.47 0.21 1.18 114.38 122.12 1qbk h ARG 29 Ca 0.57 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1qbk h ARG 29 Cb 1.29 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1qbk h ARG 29 CO -0.30 0.16 0.00 0.45 0.56 0.00 0.00 179.97 180.84 1qbk h HIS 30 N 0.25 0.00 0.01 3.04 3.86 -1.34 -3.06 115.15 117.91 1qbk h HIS 30 Ca 0.20 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.03 1qbk h HIS 30 Cb 0.22 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 1qbk h HIS 30 CO -0.18 0.00 -2.35 1.28 0.86 0.00 0.00 177.93 177.54 1qbk n LEU 31 N -2.46 1.69 0.00 2.43 4.77 -0.37 -4.97 117.00 118.09 1qbk n LEU 31 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qbk n LEU 31 Cb 0.25 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1qbk n LEU 31 CO 0.22 0.73 0.00 0.35 -1.33 0.00 0.00 177.39 177.36 1qbk n THR 32 N -3.07 0.00 -0.66 -5.08 -2.24 0.39 -5.05 114.28 98.57 1qbk n THR 32 Ca -0.38 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1qbk n THR 32 Cb 1.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1qbk n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qbk n GLY 33 N 5.00 0.33 3.81 3.38 0.00 -1.26 -5.02 105.19 111.43 1qbk n GLY 33 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1qbk n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qbk s GLU 34 N 0.00 2.03 0.00 1.61 1.03 -1.26 -5.17 118.70 116.94 1qbk s GLU 34 Ca 0.00 -1.27 0.00 0.00 0.03 0.00 0.00 54.97 53.73 1qbk s GLU 34 Cb 0.00 0.61 0.00 0.00 -0.80 0.00 0.00 34.13 33.94 1qbk s GLU 34 CO 0.00 -0.94 0.00 0.34 -1.33 0.00 0.00 175.26 173.33 1qbk n PHE 35 N -0.50 -0.68 0.00 4.83 7.35 -1.26 -4.68 117.46 122.51 1qbk n PHE 35 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1qbk n PHE 35 Cb 0.60 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.43 1qbk n PHE 35 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1qbk n GLU 36 N -0.08 0.00 -3.86 -4.13 4.07 -1.26 -5.02 120.64 110.36 1qbk n GLU 36 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 1qbk n GLU 36 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 1qbk n GLU 36 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1qbk s LYS 37 N 0.00 3.47 0.00 5.31 2.20 -1.26 -4.85 119.74 124.62 1qbk s LYS 37 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1qbk s LYS 37 Cb 0.00 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1qbk s LYS 37 CO 0.00 0.51 0.00 0.36 -0.36 0.00 0.00 175.35 175.86 1qbk n LYS 38 N -0.31 0.00 -1.75 4.03 0.00 -1.26 -5.05 118.16 113.81 1qbk n LYS 38 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.25 1qbk n LYS 38 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.55 1qbk n LYS 38 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1qbk n TYR 39 N 0.00 -0.93 -2.98 5.58 4.19 -1.26 -4.99 117.16 116.77 1qbk n TYR 39 Ca 0.00 0.48 -0.23 0.00 3.31 0.00 0.00 57.90 61.46 1qbk n TYR 39 Cb 0.00 -2.04 -0.03 0.00 0.49 0.00 0.00 39.34 37.76 1qbk n TYR 39 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1qbk n VAL 40 N 0.27 1.81 0.00 2.97 0.31 -1.26 -5.09 118.33 117.34 1qbk n VAL 40 Ca -0.05 -5.08 0.00 0.00 -0.01 0.00 0.00 64.34 59.20 1qbk n VAL 40 Cb 0.08 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1qbk n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qbk n ALA 41 N -0.07 -0.38 -2.56 3.52 0.00 -1.26 -4.84 120.51 114.91 1qbk n ALA 41 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 1qbk n ALA 41 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1qbk n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qbk s THR 42 N 0.00 4.93 0.00 0.00 2.01 -1.26 -5.00 115.64 116.32 1qbk s THR 42 Ca 0.00 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1qbk s THR 42 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1qbk s THR 42 CO 0.00 0.34 0.00 0.18 -0.69 0.00 0.00 174.62 174.45 1qbk n LEU 43 N 3.17 0.02 -4.56 4.42 4.77 -1.26 -4.54 117.00 119.02 1qbk n LEU 43 Ca -0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 1qbk n LEU 43 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1qbk n LEU 43 CO 0.46 0.00 1.38 -0.83 -1.33 0.00 0.00 177.39 177.07 1qbk s GLY 44 N -0.17 0.63 -0.59 -0.72 0.00 -1.26 -3.82 107.32 101.39 1qbk s GLY 44 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 1qbk s GLY 44 CO 0.00 3.03 1.54 -0.62 0.00 0.00 0.00 173.10 177.05 1qbk n VAL 45 N 6.92 0.00 -2.61 1.40 0.31 -1.26 -4.84 118.33 118.25 1qbk n VAL 45 Ca 0.14 -0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 64.06 1qbk n VAL 45 Cb 0.50 -0.25 -0.05 0.00 -0.91 0.00 0.00 33.84 33.13 1qbk n VAL 45 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1qbk s GLU 46 N 5.12 4.36 -0.56 5.55 2.56 -0.80 -4.78 118.70 130.15 1qbk s GLU 46 Ca 0.80 1.49 -0.09 0.00 0.00 0.00 0.00 54.97 57.16 1qbk s GLU 46 Cb -0.71 -2.71 0.14 0.00 2.00 0.00 0.00 34.13 32.86 1qbk s GLU 46 CO 0.29 0.04 0.44 0.08 -0.56 0.00 0.00 175.26 175.56 1qbk s VAL 47 N -1.58 4.38 -0.14 3.70 1.01 -1.26 0.75 120.40 127.25 1qbk s VAL 47 Ca 0.54 -2.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.30 1qbk s VAL 47 Cb -0.22 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1qbk s VAL 47 CO 0.28 -0.84 0.19 -1.00 0.00 0.00 0.00 175.10 173.73 1qbk s HIS 48 N 0.90 3.52 -0.14 5.22 3.76 0.90 -4.90 115.29 124.56 1qbk s HIS 48 Ca 0.10 0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 55.41 1qbk s HIS 48 Cb -0.23 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.30 1qbk s HIS 48 CO -0.02 0.49 0.23 -1.25 -0.85 0.00 0.00 174.74 173.34 1qbk s PRO 49 N -0.30 4.01 0.05 8.40 0.04 -1.26 0.19 135.00 146.14 1qbk s PRO 49 Ca 0.14 0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.25 1qbk s PRO 49 Cb -0.12 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1qbk s PRO 49 CO 0.03 0.43 -0.20 -0.51 0.04 0.00 0.00 177.00 176.79 1qbk s LEU 50 N -0.09 2.19 -0.06 -3.56 1.43 0.59 -4.92 118.68 114.27 1qbk s LEU 50 Ca 0.15 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1qbk s LEU 50 Cb -0.13 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1qbk s LEU 50 CO 0.04 0.13 0.01 -0.69 0.23 0.00 0.00 176.35 176.06 1qbk s VAL 51 N -0.87 0.28 0.13 -1.59 1.01 -1.25 0.11 120.40 118.21 1qbk s VAL 51 Ca 0.07 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1qbk s VAL 51 Cb -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1qbk s VAL 51 CO 0.02 0.23 0.01 -0.36 0.00 0.00 0.00 175.10 175.00 1qbk s PHE 52 N 1.83 2.95 -0.29 5.22 0.40 -1.01 -4.92 117.98 122.16 1qbk s PHE 52 Ca 0.02 -0.07 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1qbk s PHE 52 Cb -0.12 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.93 1qbk s PHE 52 CO -0.04 0.49 0.09 -1.01 0.70 0.00 0.00 175.22 175.45 1qbk s HIS 53 N -1.49 3.14 0.48 0.36 3.76 -1.26 -1.11 115.29 119.16 1qbk s HIS 53 Ca 0.27 -0.83 0.06 0.00 -0.15 0.00 0.00 55.06 54.41 1qbk s HIS 53 Cb -0.11 -2.27 -0.00 0.00 1.11 0.00 0.00 32.58 31.32 1qbk s HIS 53 CO 0.19 -0.53 0.34 0.95 -0.85 0.00 0.00 174.74 174.84 1qbk s THR 54 N 1.53 2.09 -2.00 1.30 -4.23 0.77 -0.49 115.64 114.62 1qbk s THR 54 Ca 0.04 -1.50 0.17 0.00 -1.18 0.00 0.00 61.69 59.21 1qbk s THR 54 Cb -0.17 -2.59 0.48 0.00 1.34 0.00 0.00 72.50 71.56 1qbk s THR 54 CO 0.03 0.00 1.58 -0.46 -0.54 0.00 0.00 174.62 175.23 1qbk n ASN 55 N -1.58 0.00 0.00 3.99 2.04 -0.43 -2.18 115.26 117.10 1qbk n ASN 55 Ca -0.00 -1.29 0.00 0.00 -0.44 0.00 0.00 54.58 52.85 1qbk n ASN 55 Cb 0.64 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.89 1qbk n ASN 55 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1qbk n ARG 56 N -0.79 1.56 0.00 -3.83 3.00 -1.26 -5.00 116.66 110.34 1qbk n ARG 56 Ca 0.13 -1.06 0.00 0.00 -0.00 0.00 0.00 57.85 56.92 1qbk n ARG 56 Cb 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 31.63 1qbk n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qbk n GLY 57 N -0.29 -0.05 3.93 5.14 0.00 -0.93 -4.92 105.19 108.07 1qbk n GLY 57 Ca 0.00 -2.28 -0.26 0.00 0.00 0.00 0.00 46.02 43.49 1qbk n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qbk s PRO 58 N -0.10 2.16 -0.11 1.61 0.04 -1.26 -0.16 135.00 137.19 1qbk s PRO 58 Ca 0.00 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 60.70 1qbk s PRO 58 Cb 0.00 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1qbk s PRO 58 CO 0.00 -1.25 0.21 0.42 0.04 0.00 0.00 177.00 176.42 1qbk s ILE 59 N -3.24 -0.33 -0.37 0.56 1.01 -0.27 -1.50 121.20 117.07 1qbk s ILE 59 Ca 0.60 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 61.36 1qbk s ILE 59 Cb -0.10 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1qbk s ILE 59 CO 0.45 0.12 0.62 -0.54 0.00 0.00 0.00 174.94 175.59 1qbk s LYS 60 N 2.35 3.61 -0.24 2.79 -0.14 0.51 -2.41 119.74 126.21 1qbk s LYS 60 Ca 0.02 -0.04 -0.02 0.00 -1.36 0.00 0.00 55.97 54.58 1qbk s LYS 60 Cb -0.12 -3.83 0.02 0.00 -1.68 0.00 0.00 37.83 32.22 1qbk s LYS 60 CO -0.07 -0.77 -0.07 -0.06 -0.76 0.00 0.00 175.35 173.62 1qbk s PHE 61 N 2.69 3.03 -0.57 3.18 0.08 0.29 -1.56 117.98 125.12 1qbk s PHE 61 Ca 0.23 -1.48 -0.18 0.00 0.12 0.00 0.00 56.93 55.63 1qbk s PHE 61 Cb -0.14 -2.05 0.12 0.00 -0.57 0.00 0.00 43.02 40.37 1qbk s PHE 61 CO 0.15 -0.71 0.62 -0.80 -0.10 0.00 0.00 175.22 174.38 1qbk s ASN 62 N 1.34 6.19 -0.34 1.36 0.01 -0.84 0.22 114.94 122.88 1qbk s ASN 62 Ca 0.01 -1.60 -0.29 0.00 -0.71 0.00 0.00 52.86 50.28 1qbk s ASN 62 Cb -0.16 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.26 1qbk s ASN 62 CO -0.05 -1.00 1.10 -0.69 -1.51 0.00 0.00 177.10 174.94 1qbk s VAL 63 N 2.21 4.45 -0.95 1.60 1.01 0.51 -2.77 120.40 126.46 1qbk s VAL 63 Ca 0.08 1.65 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 1qbk s VAL 63 Cb -0.27 -4.43 0.16 0.00 0.00 0.00 0.00 36.38 31.85 1qbk s VAL 63 CO 0.05 -0.55 1.08 0.26 0.00 0.00 0.00 175.10 175.93 1qbk s TRP 64 N 3.80 3.37 -0.84 5.22 0.52 0.06 -0.07 118.94 130.99 1qbk s TRP 64 Ca 0.46 -1.68 -0.25 0.00 0.02 0.00 0.00 56.10 54.65 1qbk s TRP 64 Cb -0.12 -4.16 -0.10 0.00 -1.15 0.00 0.00 33.47 27.94 1qbk s TRP 64 CO 0.18 -1.34 2.23 0.34 0.02 0.00 0.00 176.95 178.38 1qbk s ASP 65 N 3.09 4.35 1.23 2.95 -1.08 0.23 -1.50 116.67 125.95 1qbk s ASP 65 Ca 0.30 -0.24 -0.19 0.00 -0.52 0.00 0.00 52.55 51.91 1qbk s ASP 65 Cb -0.06 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.12 1qbk s ASP 65 CO -0.08 -3.46 0.98 1.07 0.52 0.00 0.00 175.17 174.19 1qbk n THR 66 N 8.45 0.00 -4.36 1.71 5.66 -1.19 -1.91 114.28 122.65 1qbk n THR 66 Ca 0.44 -0.42 -0.24 0.00 -3.05 0.00 0.00 64.05 60.79 1qbk n THR 66 Cb 0.45 -1.21 -0.11 0.00 -1.55 0.00 0.00 70.33 67.91 1qbk n THR 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qbk s ALA 67 N -2.99 2.17 -0.02 1.79 0.00 -1.26 -4.83 121.76 116.61 1qbk s ALA 67 Ca 0.64 -1.52 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1qbk s ALA 67 Cb -0.06 -0.24 -0.15 0.00 0.00 0.00 0.00 23.12 22.67 1qbk s ALA 67 CO 0.49 0.31 0.19 0.41 0.00 0.00 0.00 175.76 177.16 1qbk n GLY 68 N 0.34 -0.44 3.93 0.00 0.00 -1.26 -4.86 105.19 102.89 1qbk n GLY 68 Ca -0.13 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1qbk n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qbk s GLN 69 N -2.62 2.44 0.00 1.61 -1.52 -1.26 -4.12 119.66 114.20 1qbk s GLN 69 Ca -0.04 -0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.10 1qbk s GLN 69 Cb 0.06 -2.25 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 1qbk s GLN 69 CO 0.40 -1.01 1.63 0.39 -0.25 0.00 0.00 175.29 176.45 1qbk n GLU 70 N -2.73 0.99 0.02 2.91 -0.58 -1.26 -1.64 120.64 118.34 1qbk n GLU 70 Ca 0.07 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.63 1qbk n GLU 70 Cb 0.60 -1.01 -0.14 0.00 -0.57 0.00 0.00 31.44 30.32 1qbk n GLU 70 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1qbk h LYS 71 N 0.69 0.23 0.00 3.49 1.79 -1.89 -3.38 116.57 117.50 1qbk h LYS 71 Ca 0.00 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1qbk h LYS 71 Cb 0.99 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1qbk h LYS 71 CO 0.00 1.07 -0.13 0.34 -1.08 0.00 0.00 179.45 179.65 1qbk n PHE 72 N -3.40 0.00 0.00 -1.35 -0.00 -1.16 -4.71 117.46 106.84 1qbk n PHE 72 Ca -0.26 -0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.04 1qbk n PHE 72 Cb 1.05 -0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.50 1qbk n PHE 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1qbk n GLY 73 N -0.18 0.00 0.08 7.13 0.00 -0.65 -1.17 105.19 110.39 1qbk n GLY 73 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1qbk n GLY 73 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qbk h GLY 74 N 0.00 0.00 -7.32 -0.02 0.00 -1.86 -3.41 103.07 90.45 1qbk h GLY 74 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1qbk h GLY 74 CO 0.00 0.00 1.37 -2.27 0.00 0.00 0.00 176.54 175.64 1qbk s LEU 75 N -8.19 4.08 0.00 3.11 0.20 -0.32 -4.87 118.68 112.68 1qbk s LEU 75 Ca -0.16 -1.82 0.00 0.00 0.69 0.00 0.00 54.13 52.84 1qbk s LEU 75 Cb 0.02 -2.51 0.00 0.00 -0.43 0.00 0.00 46.19 43.27 1qbk s LEU 75 CO 0.34 -1.30 0.00 -2.11 -0.29 0.00 0.00 176.35 172.99 1qbk n ARG 76 N 7.97 0.00 0.00 1.98 1.85 -1.26 -4.93 116.66 122.26 1qbk n ARG 76 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1qbk n ARG 76 Cb 0.49 -0.12 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 1qbk n ARG 76 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1qbk n ASP 77 N 0.00 0.00 0.00 2.89 8.00 -1.26 -4.52 116.55 121.66 1qbk n ASP 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qbk n ASP 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qbk n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qbk n GLY 78 N 1.63 2.10 0.11 0.44 0.00 -1.26 -4.52 105.19 103.69 1qbk n GLY 78 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1qbk n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qbk n TYR 79 N 0.00 0.62 0.11 1.61 4.02 -1.26 -3.75 117.16 118.51 1qbk n TYR 79 Ca 0.00 0.19 0.06 0.00 -0.01 0.00 0.00 57.90 58.14 1qbk n TYR 79 Cb 0.00 -1.10 0.34 0.00 -0.02 0.00 0.00 39.34 38.56 1qbk n TYR 79 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1qbk n TYR 80 N -3.08 0.43 -1.95 -0.72 0.53 -1.26 -4.44 117.16 106.65 1qbk n TYR 80 Ca -0.29 0.22 -0.39 0.00 -1.02 0.00 0.00 57.90 56.42 1qbk n TYR 80 Cb 1.07 -0.85 0.01 0.00 -1.03 0.00 0.00 39.34 38.54 1qbk n TYR 80 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1qbk s ILE 81 N -3.31 2.42 -1.30 -0.72 -1.09 -1.25 -2.79 121.20 113.15 1qbk s ILE 81 Ca -0.01 0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.65 1qbk s ILE 81 Cb 0.04 -3.20 0.12 0.00 -1.58 0.00 0.00 42.46 37.83 1qbk s ILE 81 CO 0.12 0.04 0.29 0.00 -1.23 0.00 0.00 174.94 174.16 1qbk n GLN 82 N -0.25 -0.85 -3.20 2.79 -0.00 -1.26 -4.87 117.38 109.75 1qbk n GLN 82 Ca 0.06 0.09 -0.33 0.00 -0.00 0.00 0.00 57.00 56.81 1qbk n GLN 82 Cb 0.44 -3.18 -0.06 0.00 -0.00 0.00 0.00 30.24 27.43 1qbk n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qbk s ALA 83 N -3.13 3.40 -0.15 2.61 0.00 -1.12 -4.83 121.76 118.55 1qbk s ALA 83 Ca 0.40 0.00 0.15 0.00 0.00 0.00 0.00 51.96 52.52 1qbk s ALA 83 Cb -0.24 -2.70 -0.22 0.00 0.00 0.00 0.00 23.12 19.96 1qbk s ALA 83 CO 0.75 0.37 0.39 1.04 0.00 0.00 0.00 175.76 178.31 1qbk n GLN 84 N 0.02 0.76 -3.57 0.00 6.02 0.14 -4.84 117.38 115.90 1qbk n GLN 84 Ca 0.01 -0.11 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 1qbk n GLN 84 Cb 0.52 -1.34 -0.05 0.00 1.02 0.00 0.00 30.24 30.40 1qbk n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qbk s ALA 86 N -1.17 0.74 -0.29 0.00 0.00 0.30 -0.71 121.76 120.64 1qbk s ALA 86 Ca -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1qbk s ALA 86 Cb -0.00 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.22 1qbk s ALA 86 CO 0.02 0.00 -0.04 0.42 0.00 0.00 0.00 175.76 176.16 1qbk s ILE 87 N -1.56 2.09 0.27 0.00 1.01 -0.43 -0.07 121.20 122.51 1qbk s ILE 87 Ca -0.06 -1.86 -0.05 0.00 0.00 0.00 0.00 60.65 58.68 1qbk s ILE 87 Cb -0.09 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1qbk s ILE 87 CO 0.00 -0.28 0.53 -0.63 0.00 0.00 0.00 174.94 174.57 1qbk s ILE 88 N 1.07 5.03 0.00 2.92 1.01 0.12 -2.67 121.20 128.69 1qbk s ILE 88 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1qbk s ILE 88 Cb -0.19 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1qbk s ILE 88 CO -0.07 -0.25 0.00 2.22 0.00 0.00 0.00 174.94 176.84 1qbk n PHE 90 N -0.74 0.00 -3.45 3.97 -1.74 -0.67 -1.18 117.46 113.66 1qbk n PHE 90 Ca -0.02 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.88 1qbk n PHE 90 Cb 0.54 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.51 1qbk n PHE 90 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1qbk s ASP 91 N 2.00 -1.23 0.58 5.98 -1.08 -1.26 -3.95 116.67 117.71 1qbk s ASP 91 Ca 0.00 1.28 0.35 0.00 -0.52 0.00 0.00 52.55 53.66 1qbk s ASP 91 Cb 0.00 2.24 1.74 0.00 -1.46 0.00 0.00 42.92 45.44 1qbk s ASP 91 CO 0.00 -0.23 2.15 -0.37 0.52 0.00 0.00 175.17 177.23 1qbk h VAL 92 N 5.99 0.23 -0.31 1.11 -1.51 -1.73 -2.06 116.25 117.97 1qbk h VAL 92 Ca -0.20 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1qbk h VAL 92 Cb 1.12 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1qbk h VAL 92 CO 0.16 0.05 0.00 0.35 -1.23 0.00 0.00 177.57 176.90 1qbk n THR 93 N -3.31 1.39 -3.66 7.19 -2.24 -1.26 0.17 114.28 112.56 1qbk n THR 93 Ca -0.01 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.79 1qbk n THR 93 Cb 0.20 -0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 67.94 1qbk n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1qbk s SER 94 N -0.47 2.29 0.24 3.42 0.15 -0.78 -4.69 113.70 113.87 1qbk s SER 94 Ca 0.29 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.35 1qbk s SER 94 Cb 0.21 -0.33 0.46 0.00 -1.71 0.00 0.00 66.02 64.66 1qbk s SER 94 CO 0.09 -0.32 1.70 0.03 1.20 0.00 0.00 173.24 175.95 1qbk h ARG 95 N 8.37 0.33 0.00 5.44 2.47 -1.85 -3.36 114.38 125.78 1qbk h ARG 95 Ca -0.15 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1qbk h ARG 95 Cb 1.14 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1qbk h ARG 95 CO 0.28 0.22 0.00 1.55 0.56 0.00 0.00 179.97 182.58 1qbk n VAL 96 N -5.09 0.00 0.00 2.04 3.14 -1.26 -4.23 118.33 112.93 1qbk n VAL 96 Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1qbk n VAL 96 Cb 0.44 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 1qbk n VAL 96 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1qbk n THR 97 N 0.00 0.00 0.21 1.55 -2.24 -1.26 0.16 114.28 112.70 1qbk n THR 97 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1qbk n THR 97 Cb 0.00 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 68.95 1qbk n THR 97 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1qbk h TYR 98 N 0.00 0.00 0.03 4.78 3.20 -1.75 -1.79 116.97 121.44 1qbk h TYR 98 Ca 0.00 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 1qbk h TYR 98 Cb 0.00 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1qbk h TYR 98 CO 0.00 0.00 -1.98 1.63 -1.64 0.00 0.00 178.16 176.17 1qbk n LYS 99 N -2.44 0.63 -0.23 1.82 5.02 0.41 -4.04 118.16 119.34 1qbk n LYS 99 Ca -0.02 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1qbk n LYS 99 Cb 0.05 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1qbk n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1qbk n ASN 100 N -3.97 3.79 -0.07 4.39 5.15 -0.72 -4.11 115.26 119.72 1qbk n ASN 100 Ca -0.40 -2.04 -0.07 0.00 -0.60 0.00 0.00 54.58 51.46 1qbk n ASN 100 Cb 0.87 -0.74 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 1qbk n ASN 100 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1qbk n VAL 101 N 1.06 1.36 0.00 3.44 0.31 -0.90 -4.50 118.33 119.11 1qbk n VAL 101 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1qbk n VAL 101 Cb 0.45 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1qbk n VAL 101 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1qbk n PRO 102 N -4.20 0.00 0.04 5.55 -0.02 -1.26 0.19 135.00 135.30 1qbk n PRO 102 Ca -0.11 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.63 1qbk n PRO 102 Cb 0.42 -1.80 0.45 0.00 -0.02 0.00 0.00 33.50 32.54 1qbk n PRO 102 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qbk n ASN 103 N -1.09 0.40 -0.11 2.55 5.03 -1.26 -3.07 115.26 117.71 1qbk n ASN 103 Ca 0.00 0.37 -0.18 0.00 0.87 0.00 0.00 54.58 55.63 1qbk n ASN 103 Cb 0.30 -0.40 -0.12 0.00 -1.02 0.00 0.00 39.78 38.54 1qbk n ASN 103 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1qbk n TRP 104 N -1.80 0.16 -0.35 3.10 7.02 0.50 -2.97 117.44 123.10 1qbk n TRP 104 Ca 0.06 0.03 0.09 0.00 -1.02 0.00 0.00 57.50 56.66 1qbk n TRP 104 Cb 0.38 -1.02 0.26 0.00 -2.42 0.00 0.00 31.31 28.50 1qbk n TRP 104 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1qbk h HIS 105 N 0.01 1.06 0.28 -5.99 2.76 -1.62 -1.87 115.15 109.78 1qbk h HIS 105 Ca -0.56 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.63 1qbk h HIS 105 Cb 1.93 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 30.56 1qbk h HIS 105 CO 0.03 0.35 -0.13 0.07 -1.30 0.00 0.00 177.93 176.95 1qbk h ARG 106 N 0.87 -0.36 -1.29 5.26 0.11 -1.71 0.02 114.38 117.28 1qbk h ARG 106 Ca 0.51 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.62 1qbk h ARG 106 Cb 0.62 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1qbk h ARG 106 CO -0.31 -0.24 0.00 -3.47 0.10 0.00 0.00 179.97 176.05 1qbk n ASP 107 N -4.67 0.55 0.02 0.08 2.03 -1.10 -0.65 116.55 112.82 1qbk n ASP 107 Ca -0.05 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1qbk n ASP 107 Cb 0.15 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1qbk n ASP 107 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1qbk n LEU 108 N 0.73 0.03 0.29 -2.67 7.94 -0.72 -4.73 117.00 117.87 1qbk n LEU 108 Ca 0.00 0.08 0.19 0.00 -1.11 0.00 0.00 56.01 55.17 1qbk n LEU 108 Cb 0.10 0.04 0.95 0.00 0.53 0.00 0.00 43.42 45.04 1qbk n LEU 108 CO 0.00 -0.45 1.07 0.58 -1.11 0.00 0.00 177.39 177.48 1qbk h VAL 109 N 0.00 0.00 0.69 1.96 2.07 0.44 -2.20 116.25 119.21 1qbk h VAL 109 Ca 0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1qbk h VAL 109 Cb 0.22 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1qbk h VAL 109 CO 0.00 0.00 -0.33 0.03 0.02 0.00 0.00 177.57 177.29 1qbk h ARG 110 N 0.00 -0.89 0.00 1.57 2.47 -1.13 -3.34 114.38 113.06 1qbk h ARG 110 Ca 0.00 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1qbk h ARG 110 Cb 0.19 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1qbk h ARG 110 CO 0.00 -0.59 0.00 0.28 0.56 0.00 0.00 179.97 180.22 1qbk n VAL 111 N -4.52 0.00 -1.60 2.04 0.31 -0.88 -4.57 118.33 109.11 1qbk n VAL 111 Ca -0.11 0.00 -0.58 0.00 -0.01 0.00 0.00 64.34 63.64 1qbk n VAL 111 Cb 0.36 -0.52 -0.08 0.00 -0.91 0.00 0.00 33.84 32.69 1qbk n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qbk n GLU 113 N 6.06 1.34 -0.28 0.00 2.13 -1.25 -3.61 120.64 125.03 1qbk n GLU 113 Ca 0.34 -0.87 0.00 0.00 0.66 0.00 0.00 57.16 57.29 1qbk n GLU 113 Cb 0.10 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1qbk n GLU 113 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1qbk n ASN 114 N -0.07 0.00 -4.60 4.31 6.94 -1.26 -5.02 115.26 115.56 1qbk n ASN 114 Ca 0.15 -0.63 -0.31 0.00 -0.02 0.00 0.00 54.58 53.77 1qbk n ASN 114 Cb 0.39 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 37.99 1qbk n ASN 114 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1qbk n ILE 115 N 0.00 0.00 -2.80 1.53 -5.35 -1.26 -4.94 119.36 106.54 1qbk n ILE 115 Ca 0.00 -0.10 -0.40 0.00 -0.27 0.00 0.00 62.75 61.98 1qbk n ILE 115 Cb 0.32 -0.95 -0.06 0.00 -1.74 0.00 0.00 39.64 37.21 1qbk n ILE 115 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1qbk s PRO 116 N -4.46 4.76 -0.02 6.28 0.02 -1.25 -4.87 135.00 135.46 1qbk s PRO 116 Ca 0.66 1.40 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1qbk s PRO 116 Cb -0.23 -3.22 -0.01 0.00 0.02 0.00 0.00 34.50 31.06 1qbk s PRO 116 CO 0.60 0.50 -0.12 0.42 -0.33 0.00 0.00 177.00 178.08 1qbk s ILE 117 N -1.22 1.01 -0.14 2.83 1.01 -1.26 -0.54 121.20 122.89 1qbk s ILE 117 Ca 0.41 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.55 1qbk s ILE 117 Cb -0.25 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.37 1qbk s ILE 117 CO 0.30 0.29 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 1qbk s VAL 118 N -0.12 2.51 -0.25 2.92 1.01 0.90 -3.19 120.40 124.17 1qbk s VAL 118 Ca 0.02 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1qbk s VAL 118 Cb -0.07 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1qbk s VAL 118 CO 0.00 0.53 0.36 -0.22 0.00 0.00 0.00 175.10 175.77 1qbk s LEU 119 N 0.72 4.07 -0.21 3.92 2.96 0.13 0.11 118.68 130.37 1qbk s LEU 119 Ca -0.08 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1qbk s LEU 119 Cb -0.16 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.14 1qbk s LEU 119 CO 0.01 -0.14 -0.12 0.00 -1.32 0.00 0.00 176.35 174.78 1qbk s GLY 121 N 1.32 1.38 0.48 0.00 0.00 -0.92 -1.66 107.32 107.91 1qbk s GLY 121 Ca 0.03 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1qbk s GLY 121 CO -0.08 2.11 0.68 0.21 0.00 0.00 0.00 173.10 176.02 1qbk s ASN 122 N 2.77 5.57 -0.94 1.64 2.47 -1.25 -0.90 114.94 124.30 1qbk s ASN 122 Ca 0.33 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.60 1qbk s ASN 122 Cb -0.11 -1.07 0.00 0.00 -1.45 0.00 0.00 41.25 38.62 1qbk s ASN 122 CO 0.21 -0.88 0.00 0.29 -3.72 0.00 0.00 177.10 173.01 1qbk n LYS 123 N -2.11 -0.81 0.00 0.43 5.02 -0.82 -2.07 118.16 117.80 1qbk n LYS 123 Ca 0.05 0.59 0.03 0.00 -2.02 0.00 0.00 58.31 56.96 1qbk n LYS 123 Cb 0.59 -4.64 0.15 0.00 -0.02 0.00 0.00 35.03 31.11 1qbk n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1qbk n VAL 124 N -3.70 0.00 1.02 -0.18 0.24 -0.93 -2.72 118.33 112.07 1qbk n VAL 124 Ca -0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.22 1qbk n VAL 124 Cb 0.53 -0.39 0.12 0.00 -1.47 0.00 0.00 33.84 32.63 1qbk n VAL 124 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1qbk n ASP 125 N -0.65 1.62 -4.40 -1.34 5.68 -1.26 -4.82 116.55 111.37 1qbk n ASP 125 Ca 0.04 -2.06 -0.33 0.00 -0.50 0.00 0.00 54.79 51.94 1qbk n ASP 125 Cb 0.02 -0.24 -0.14 0.00 -1.14 0.00 0.00 41.12 39.61 1qbk n ASP 125 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1qbk s ILE 126 N -1.65 2.98 0.30 2.12 1.01 -1.10 -5.01 121.20 119.85 1qbk s ILE 126 Ca 0.18 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1qbk s ILE 126 Cb 0.10 -2.21 0.23 0.00 0.01 0.00 0.00 42.46 40.59 1qbk s ILE 126 CO 0.11 0.55 1.93 0.50 0.00 0.00 0.00 174.94 178.03 1qbk h LYS 127 N 6.19 0.98 -3.56 2.79 3.64 -1.92 -3.29 116.57 121.39 1qbk h LYS 127 Ca -0.33 -0.10 -0.65 0.00 -1.27 0.00 0.00 60.65 58.30 1qbk h LYS 127 Cb 1.19 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1qbk h LYS 127 CO 0.53 0.71 3.32 -3.47 -2.27 0.00 0.00 179.45 178.26 1qbk n ASP 128 N -4.37 5.94 -4.55 4.20 -0.08 -1.26 -4.92 116.55 111.50 1qbk n ASP 128 Ca 0.07 -2.66 -0.39 0.00 -1.51 0.00 0.00 54.79 50.31 1qbk n ASP 128 Cb 0.09 -1.51 -0.03 0.00 2.34 0.00 0.00 41.12 42.01 1qbk n ASP 128 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1qbk s ARG 129 N 2.95 2.95 0.06 -0.67 3.52 -1.24 -4.62 118.95 121.90 1qbk s ARG 129 Ca 0.57 0.04 -0.28 0.00 -0.13 0.00 0.00 55.73 55.93 1qbk s ARG 129 Cb 0.15 -4.40 -0.17 0.00 -1.56 0.00 0.00 34.95 28.97 1qbk s ARG 129 CO -0.05 -2.47 1.57 0.87 -0.81 0.00 0.00 175.30 174.41 1qbk h LYS 130 N 12.10 -0.50 -4.99 5.12 1.79 -1.09 -3.37 116.57 125.63 1qbk h LYS 130 Ca -0.21 0.03 -0.69 0.00 -2.18 0.00 0.00 60.65 57.60 1qbk h LYS 130 Cb 1.09 0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 31.67 1qbk h LYS 130 CO 1.26 -0.28 0.77 0.08 -1.08 0.00 0.00 179.45 180.20 1qbk s VAL 131 N -5.75 4.75 0.57 0.50 1.01 0.45 -4.90 120.40 117.02 1qbk s VAL 131 Ca -0.15 -1.54 -0.21 0.00 0.00 0.00 0.00 61.98 60.08 1qbk s VAL 131 Cb 0.04 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 1qbk s VAL 131 CO 0.62 -1.48 1.31 1.17 0.00 0.00 0.00 175.10 176.72 1qbk n LYS 132 N 6.49 1.49 -0.16 2.72 0.00 -1.26 -4.83 118.16 122.61 1qbk n LYS 132 Ca 0.21 0.56 -0.02 0.00 0.00 0.00 0.00 58.31 59.06 1qbk n LYS 132 Cb 0.49 -2.53 0.07 0.00 0.00 0.00 0.00 35.03 33.06 1qbk n LYS 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qbk h ALA 133 N 1.14 0.51 0.00 3.14 0.00 -1.95 0.13 119.26 122.24 1qbk h ALA 133 Ca -0.51 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qbk h ALA 133 Cb 1.32 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1qbk h ALA 133 CO 0.56 -0.36 0.43 -0.22 0.00 0.00 0.00 179.25 179.65 1qbk h LYS 134 N 0.15 0.00 -0.05 0.00 3.64 -2.03 0.59 116.57 118.87 1qbk h LYS 134 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1qbk h LYS 134 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1qbk h LYS 134 CO -0.40 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.21 1qbk n SER 135 N -2.56 1.56 -4.24 4.20 7.64 0.44 -4.74 113.62 115.92 1qbk n SER 135 Ca -0.01 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 57.89 1qbk n SER 135 Cb 0.46 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1qbk n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1qbk s ILE 136 N -1.95 4.56 0.00 0.44 1.01 0.20 -4.81 121.20 120.65 1qbk s ILE 136 Ca 0.37 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1qbk s ILE 136 Cb 0.20 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1qbk s ILE 136 CO 0.32 -0.81 0.00 0.52 0.00 0.00 0.00 174.94 174.96 1qbk n VAL 137 N 4.98 0.00 0.00 2.92 0.31 -1.26 -4.84 118.33 120.44 1qbk n VAL 137 Ca -0.09 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1qbk n VAL 137 Cb 0.41 0.87 0.00 0.00 -0.91 0.00 0.00 33.84 34.21 1qbk n VAL 137 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1qbk n PHE 138 N -1.09 0.00 -0.29 3.52 7.35 -1.26 -0.82 117.46 124.86 1qbk n PHE 138 Ca 0.00 0.00 0.29 0.00 -0.76 0.00 0.00 57.45 56.98 1qbk n PHE 138 Cb 0.00 -0.17 0.54 0.00 0.35 0.00 0.00 39.48 40.19 1qbk n PHE 138 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1qbk n HIS 139 N -1.70 1.06 -0.00 -5.13 1.44 -1.26 0.20 115.22 109.83 1qbk n HIS 139 Ca 0.00 1.08 0.03 0.00 -2.01 0.00 0.00 57.72 56.82 1qbk n HIS 139 Cb 0.00 -1.48 0.39 0.00 0.12 0.00 0.00 29.99 29.02 1qbk n HIS 139 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1qbk h ARG 140 N 0.00 0.54 0.00 -1.40 9.65 -1.31 -2.05 114.38 119.81 1qbk h ARG 140 Ca 0.77 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.60 1qbk h ARG 140 Cb 2.05 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.52 1qbk h ARG 140 CO -0.71 0.41 0.00 1.17 2.80 0.00 0.00 179.97 183.64 1qbk n LYS 141 N -4.42 0.00 0.00 0.20 3.00 0.54 -4.23 118.16 113.24 1qbk n LYS 141 Ca 0.03 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1qbk n LYS 141 Cb 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.42 1qbk n LYS 141 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1qbk n LYS 142 N -2.08 0.35 -3.63 1.64 4.76 -0.61 -4.84 118.16 113.75 1qbk n LYS 142 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1qbk n LYS 142 Cb 0.00 -1.12 0.01 0.00 -1.84 0.00 0.00 35.03 32.08 1qbk n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qbk n ASN 143 N 0.05 -4.66 0.00 4.39 4.13 -0.85 -4.96 115.26 113.36 1qbk n ASN 143 Ca 0.00 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1qbk n ASN 143 Cb 0.06 -1.49 0.00 0.00 -1.54 0.00 0.00 39.78 36.81 1qbk n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1qbk n LEU 144 N -1.88 0.00 -3.92 3.41 4.77 -0.83 -4.98 117.00 113.57 1qbk n LEU 144 Ca -0.25 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 1qbk n LEU 144 Cb 0.65 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.58 1qbk n LEU 144 CO 0.58 0.00 -0.42 -1.58 -1.33 0.00 0.00 177.39 174.64 1qbk s GLN 145 N 1.94 0.93 0.13 3.23 -0.44 -1.19 -4.85 119.66 119.41 1qbk s GLN 145 Ca 0.00 -0.16 0.05 0.00 -2.50 0.00 0.00 55.36 52.75 1qbk s GLN 145 Cb 0.00 -0.89 -0.04 0.00 -1.64 0.00 0.00 33.01 30.44 1qbk s GLN 145 CO 0.00 -0.05 0.08 -0.47 0.50 0.00 0.00 175.29 175.36 1qbk s TYR 146 N 0.79 3.11 -0.24 1.67 5.04 -1.26 0.18 117.35 126.64 1qbk s TYR 146 Ca -0.11 -0.00 -0.06 0.00 -2.44 0.00 0.00 57.07 54.45 1qbk s TYR 146 Cb -0.14 -1.54 0.11 0.00 0.35 0.00 0.00 41.96 40.75 1qbk s TYR 146 CO 0.01 0.51 0.47 0.71 -1.34 0.00 0.00 175.55 175.91 1qbk s TYR 147 N -1.57 -0.98 0.28 4.97 4.12 -0.95 -4.97 117.35 118.25 1qbk s TYR 147 Ca 0.29 1.58 -0.29 0.00 0.02 0.00 0.00 57.07 58.67 1qbk s TYR 147 Cb -0.11 0.38 -0.10 0.00 -1.52 0.00 0.00 41.96 40.61 1qbk s TYR 147 CO 0.22 -0.60 1.20 -0.51 0.02 0.00 0.00 175.55 175.88 1qbk s ASP 148 N 2.68 7.04 0.27 2.29 1.01 -1.26 -2.16 116.67 126.53 1qbk s ASP 148 Ca 0.02 2.44 -0.10 0.00 0.71 0.00 0.00 52.55 55.61 1qbk s ASP 148 Cb -0.13 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.17 1qbk s ASP 148 CO -0.15 -0.34 0.47 0.27 0.21 0.00 0.00 175.17 175.62 1qbk s ILE 149 N -0.95 0.00 -0.28 0.77 -4.36 -0.08 -4.70 121.20 111.60 1qbk s ILE 149 Ca 0.48 -1.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1qbk s ILE 149 Cb -0.35 -2.33 0.16 0.00 1.25 0.00 0.00 42.46 41.19 1qbk s ILE 149 CO 0.45 0.00 0.40 -0.55 0.24 0.00 0.00 174.94 175.48 1qbk s SER 150 N -3.07 0.41 0.65 4.36 0.15 -1.03 -1.95 113.70 113.23 1qbk s SER 150 Ca 0.25 -0.31 0.42 0.00 0.70 0.00 0.00 55.95 57.01 1qbk s SER 150 Cb -0.00 1.09 2.32 0.00 -1.71 0.00 0.00 66.02 67.72 1qbk s SER 150 CO 0.11 -0.35 2.35 0.00 1.20 0.00 0.00 173.24 176.55 1qbk h ALA 151 N 8.17 1.07 0.41 5.45 0.00 -1.95 0.35 119.26 132.76 1qbk h ALA 151 Ca -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1qbk h ALA 151 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1qbk h ALA 151 CO 0.27 0.00 -0.20 -0.22 0.00 0.00 0.00 179.25 179.10 1qbk h LYS 152 N 0.00 -0.53 0.00 0.00 1.63 -1.96 -3.37 116.57 112.34 1qbk h LYS 152 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1qbk h LYS 152 Cb 0.02 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1qbk h LYS 152 CO 0.00 -0.22 -1.42 -1.13 -3.45 0.00 0.00 179.45 173.23 1qbk n SER 153 N -5.20 0.70 0.00 4.20 3.41 -0.97 -4.72 113.62 111.04 1qbk n SER 153 Ca -0.10 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1qbk n SER 153 Cb 0.29 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 1qbk n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qbk n ASN 154 N -1.83 -0.84 -4.60 4.04 4.13 0.12 -5.03 115.26 111.25 1qbk n ASN 154 Ca -0.00 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 1qbk n ASN 154 Cb 0.41 -0.14 -0.02 0.00 -1.54 0.00 0.00 39.78 38.48 1qbk n ASN 154 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1qbk s TYR 155 N -2.00 2.17 -1.18 3.10 5.04 -1.17 -2.65 117.35 120.67 1qbk s TYR 155 Ca 0.00 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1qbk s TYR 155 Cb 0.00 -4.25 0.00 0.00 0.35 0.00 0.00 41.96 38.06 1qbk s TYR 155 CO 0.00 -2.32 0.00 0.09 -1.34 0.00 0.00 175.55 171.98 1qbk n ASN 156 N 9.47 -4.52 -0.27 4.32 3.02 -1.26 -2.47 115.26 123.56 1qbk n ASN 156 Ca 0.18 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1qbk n ASN 156 Cb 0.48 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 1qbk n ASN 156 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1qbk n PHE 157 N -2.62 0.00 0.00 3.10 -0.00 -1.08 -2.17 117.46 114.69 1qbk n PHE 157 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 1qbk n PHE 157 Cb 0.39 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 1qbk n PHE 157 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1qbk n GLU 158 N -0.07 2.13 -0.34 3.97 1.02 -1.26 -4.86 120.64 121.22 1qbk n GLU 158 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1qbk n GLU 158 Cb 0.05 -0.80 0.30 0.00 -0.02 0.00 0.00 31.44 30.97 1qbk n GLU 158 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qbk n LYS 159 N -1.50 -0.08 -0.13 3.49 4.76 -0.92 -1.06 118.16 122.72 1qbk n LYS 159 Ca 0.00 1.47 -0.05 0.00 -2.87 0.00 0.00 58.31 56.86 1qbk n LYS 159 Cb 0.30 -2.35 0.03 0.00 -1.84 0.00 0.00 35.03 31.17 1qbk n LYS 159 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1qbk h PRO 160 N 0.00 0.31 -0.37 1.97 0.11 -1.89 -1.07 132.00 131.06 1qbk h PRO 160 Ca 0.61 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.65 1qbk h PRO 160 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1qbk h PRO 160 CO -0.92 0.21 0.05 0.74 -0.21 0.00 0.00 178.00 177.86 1qbk h PHE 161 N 0.32 0.66 -0.79 0.65 -1.00 -1.46 -1.18 116.94 114.14 1qbk h PHE 161 Ca 0.19 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.89 1qbk h PHE 161 Cb 0.17 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1qbk h PHE 161 CO -0.15 0.68 0.52 1.25 -1.61 0.00 0.00 178.31 179.00 1qbk h LEU 162 N 0.45 0.89 -0.96 1.54 5.85 -1.16 0.41 115.31 122.33 1qbk h LEU 162 Ca 0.11 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1qbk h LEU 162 Cb 0.38 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1qbk h LEU 162 CO 0.01 0.64 -0.14 -0.25 -0.34 0.00 0.00 178.44 178.36 1qbk h TRP 163 N 1.05 0.65 -0.03 1.25 7.01 -1.08 -0.75 115.95 124.05 1qbk h TRP 163 Ca 0.29 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1qbk h TRP 163 Cb -0.10 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1qbk h TRP 163 CO -0.02 0.71 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.22 1qbk h LEU 164 N 0.55 0.09 -0.19 0.65 3.38 -0.25 -2.01 115.31 117.54 1qbk h LEU 164 Ca 0.10 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1qbk h LEU 164 Cb 0.56 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1qbk h LEU 164 CO 0.04 0.62 -0.10 0.00 0.09 0.00 0.00 178.44 179.08 1qbk h ALA 165 N 0.47 0.05 -0.39 1.53 0.00 -0.13 0.22 119.26 121.01 1qbk h ALA 165 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1qbk h ALA 165 Cb 0.61 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1qbk h ALA 165 CO 0.01 -0.53 0.27 0.00 0.00 0.00 0.00 179.25 179.00 1qbk h ARG 166 N -0.09 0.17 0.14 0.00 3.08 -1.14 0.21 114.38 116.74 1qbk h ARG 166 Ca 0.11 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.86 1qbk h ARG 166 Cb 0.25 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.29 1qbk h ARG 166 CO -0.25 0.11 -1.19 -0.22 -1.07 0.00 0.00 179.97 177.35 1qbk h LYS 167 N 0.18 0.57 0.00 0.04 1.63 -0.35 -2.49 116.57 116.15 1qbk h LYS 167 Ca 0.18 -0.79 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1qbk h LYS 167 Cb 0.49 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1qbk h LYS 167 CO -0.03 1.36 0.00 1.28 -3.45 0.00 0.00 179.45 178.61 1qbk n LEU 168 N -3.85 0.42 0.18 5.20 4.77 0.63 -3.24 117.00 121.12 1qbk n LEU 168 Ca -0.14 0.33 0.04 0.00 -0.03 0.00 0.00 56.01 56.21 1qbk n LEU 168 Cb 0.97 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 42.29 1qbk n LEU 168 CO 0.57 0.00 0.81 0.40 -1.33 0.00 0.00 177.39 177.84 1qbk h ILE 169 N 0.00 0.00 -5.09 -0.08 2.04 -1.20 -3.45 117.51 109.73 1qbk h ILE 169 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.54 1qbk h ILE 169 Cb 0.00 0.19 0.12 0.00 -0.74 0.00 0.00 36.82 36.39 1qbk h ILE 169 CO 0.00 0.00 -0.59 0.61 0.00 0.00 0.00 178.15 178.17 1qbk n GLY 170 N -1.27 -0.29 2.68 5.37 0.00 -0.96 -5.02 105.19 105.69 1qbk n GLY 170 Ca -0.01 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1qbk n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qbk s ASP 171 N -3.47 3.27 0.41 1.61 -1.08 -1.06 -4.99 116.67 111.35 1qbk s ASP 171 Ca 0.38 -1.10 0.29 0.00 -0.52 0.00 0.00 52.55 51.60 1qbk s ASP 171 Cb -0.17 -0.58 1.31 0.00 -1.46 0.00 0.00 42.92 42.02 1qbk s ASP 171 CO 0.62 -0.37 1.87 1.55 0.52 0.00 0.00 175.17 179.36 1qbk h PRO 172 N 8.26 0.00 -0.00 4.34 0.13 -1.96 -2.04 132.00 140.73 1qbk h PRO 172 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qbk h PRO 172 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qbk h PRO 172 CO 0.39 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.17 1qbk n ASN 173 N -2.61 0.20 -4.76 1.44 3.02 -1.26 -4.87 115.26 106.42 1qbk n ASN 173 Ca 0.00 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 1qbk n ASN 173 Cb 0.21 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1qbk n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1qbk s LEU 174 N -2.66 4.48 0.06 3.41 2.96 -0.77 -4.97 118.68 121.19 1qbk s LEU 174 Ca 0.24 2.45 -0.20 0.00 -0.22 0.00 0.00 54.13 56.41 1qbk s LEU 174 Cb 0.20 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 43.30 1qbk s LEU 174 CO 0.50 -0.36 0.46 -1.83 -1.32 0.00 0.00 176.35 173.80 1qbk s GLU 175 N -1.31 1.00 0.27 1.98 -1.05 -1.26 -4.95 118.70 113.38 1qbk s GLU 175 Ca 0.48 -0.38 -0.26 0.00 -0.15 0.00 0.00 54.97 54.67 1qbk s GLU 175 Cb -0.36 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 33.69 1qbk s GLU 175 CO 0.45 -0.36 0.89 -0.06 0.95 0.00 0.00 175.26 177.12 1qbk s PHE 176 N -2.74 3.76 -0.94 4.83 0.08 -1.26 -1.32 117.98 120.40 1qbk s PHE 176 Ca -0.04 1.72 -0.10 0.00 0.12 0.00 0.00 56.93 58.64 1qbk s PHE 176 Cb -0.00 -2.86 0.24 0.00 -0.57 0.00 0.00 43.02 39.82 1qbk s PHE 176 CO -0.04 0.31 0.89 0.14 -0.10 0.00 0.00 175.22 176.42 1qbk s VAL 177 N -1.47 5.47 -1.02 -0.44 -7.23 0.36 -4.89 120.40 111.18 1qbk s VAL 177 Ca 0.46 -3.09 -0.22 0.00 -1.81 0.00 0.00 61.98 57.32 1qbk s VAL 177 Cb -0.20 -4.35 -0.11 0.00 0.56 0.00 0.00 36.38 32.28 1qbk s VAL 177 CO 0.25 -1.09 1.92 0.00 -0.31 0.00 0.00 175.10 175.87 1qbk n ALA 178 N 3.19 2.59 -2.62 1.32 0.00 -1.26 -4.92 120.51 118.80 1qbk n ALA 178 Ca 0.19 -3.20 -0.28 0.00 0.00 0.00 0.00 53.44 50.15 1qbk n ALA 178 Cb 0.42 -3.55 -0.11 0.00 0.00 0.00 0.00 19.45 16.20 1qbk n ALA 178 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qbk s PRO 180 N 5.69 1.96 0.58 0.00 0.04 -1.26 -5.22 135.00 136.80 1qbk s PRO 180 Ca 0.63 -2.12 -0.13 0.00 0.04 0.00 0.00 61.00 59.42 1qbk s PRO 180 Cb 0.06 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.93 1qbk s PRO 180 CO 0.12 -0.07 1.02 0.00 0.04 0.00 0.00 177.00 178.11 1qbk s ALA 181 N -2.73 3.07 0.00 8.56 0.00 -1.26 -5.07 121.76 124.33 1qbk s ALA 181 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1qbk s ALA 181 Cb 0.10 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1qbk s ALA 181 CO 0.17 -0.55 0.00 1.28 0.00 0.00 0.00 175.76 176.66 1qbk n LEU 182 N -2.34 0.00 -4.77 0.00 4.77 -1.26 -5.11 117.00 108.29 1qbk n LEU 182 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 1qbk n LEU 182 Cb 0.54 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1qbk n LEU 182 CO 0.54 0.00 1.02 0.00 -1.33 0.00 0.00 177.39 177.62 1qbk s ALA 183 N -2.00 3.35 -0.25 -1.18 0.00 -1.26 -4.83 121.76 115.59 1qbk s ALA 183 Ca 0.00 1.35 -0.39 0.00 0.00 0.00 0.00 51.96 52.92 1qbk s ALA 183 Cb 0.00 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 1qbk s ALA 183 CO 0.00 -0.92 1.77 -2.30 0.00 0.00 0.00 175.76 174.31 1qbk n PRO 184 N 0.23 1.32 -0.50 0.00 -0.02 -1.26 -4.79 135.00 129.98 1qbk n PRO 184 Ca 0.03 0.49 0.44 0.00 -2.02 0.00 0.00 63.50 62.43 1qbk n PRO 184 Cb 0.42 -2.20 0.76 0.00 -0.02 0.00 0.00 33.50 32.46 1qbk n PRO 184 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1qbk h PRO 185 N 7.56 0.00 -0.17 0.52 0.13 -2.00 0.11 132.00 138.15 1qbk h PRO 185 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1qbk h PRO 185 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1qbk h PRO 185 CO 0.96 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.88 1qbk n GLU 186 N -3.92 1.60 0.00 0.86 0.00 -1.26 -3.74 120.64 114.18 1qbk n GLU 186 Ca 0.35 -0.91 0.00 0.00 0.00 0.00 0.00 57.16 56.60 1qbk n GLU 186 Cb 1.67 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 31.78 1qbk n GLU 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1qbk n VAL 187 N 0.16 0.00 -0.02 3.84 0.24 0.39 -5.20 118.33 117.74 1qbk n VAL 187 Ca 0.14 -0.42 -0.01 0.00 -2.04 0.00 0.00 64.34 62.01 1qbk n VAL 187 Cb 0.26 1.15 0.01 0.00 -1.47 0.00 0.00 33.84 33.79 1qbk n VAL 187 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qbk n VAL 188 N -0.08 0.00 -1.89 3.34 0.31 -1.20 -5.01 118.33 113.80 1qbk n VAL 188 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1qbk n VAL 188 Cb 0.04 -0.03 -0.01 0.00 -0.91 0.00 0.00 33.84 32.93 1qbk n VAL 188 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1qbk s ASP 190 N -1.70 6.41 0.01 4.52 1.01 -1.26 -5.12 116.67 120.55 1qbk s ASP 190 Ca 0.02 2.93 -0.01 0.00 0.71 0.00 0.00 52.55 56.20 1qbk s ASP 190 Cb -0.00 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.26 1qbk s ASP 190 CO 0.02 -0.81 0.06 -2.65 0.21 0.00 0.00 175.17 172.00 1qbk n PRO 191 N 0.48 -0.02 0.00 8.23 -0.02 -1.26 -4.60 135.00 137.81 1qbk n PRO 191 Ca 0.01 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1qbk n PRO 191 Cb 0.40 -0.09 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 1qbk n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbk n ALA 192 N -3.74 0.00 0.03 3.55 0.00 -1.26 -4.86 120.51 114.23 1qbk n ALA 192 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1qbk n ALA 192 Cb 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 1qbk n ALA 192 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1qbk h LEU 193 N 0.00 0.00 -1.08 0.00 3.38 -1.96 -3.09 115.31 112.55 1qbk h LEU 193 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qbk h LEU 193 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qbk h LEU 193 CO 0.00 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1qbk h ALA 194 N 1.12 1.00 0.04 1.53 0.00 -1.89 -2.69 119.26 118.37 1qbk h ALA 194 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qbk h ALA 194 Cb 1.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1qbk h ALA 194 CO 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 1qbk h ALA 195 N 2.14 -0.83 -1.23 0.00 0.00 -1.81 -3.23 119.26 114.30 1qbk h ALA 195 Ca 0.00 -0.01 -0.79 0.00 0.00 0.00 0.00 54.91 54.11 1qbk h ALA 195 Cb 0.22 0.23 -0.23 0.00 0.00 0.00 0.00 17.79 18.01 1qbk h ALA 195 CO 0.00 -0.83 1.39 0.00 0.00 0.00 0.00 179.25 179.81 1qbk n GLN 196 N -2.42 4.85 0.00 0.00 -0.00 -1.02 -5.10 117.38 113.69 1qbk n GLN 196 Ca -0.01 -4.26 0.00 0.00 -0.00 0.00 0.00 57.00 52.73 1qbk n GLN 196 Cb 0.03 -2.56 0.00 0.00 -0.00 0.00 0.00 30.24 27.71 1qbk n GLN 196 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72