#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt s SER 2 N 0.00 -0.12 -0.27 1.61 0.15 -1.26 -5.19 113.70 108.63 1qtt s SER 2 Ca 0.00 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 1qtt s SER 2 Cb 0.00 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 64.94 1qtt s SER 2 CO 0.00 -0.84 1.32 -0.32 1.20 0.00 0.00 173.24 174.60 1qtt s MET 3 N -2.91 0.12 0.06 5.44 -2.45 -1.26 -5.18 119.30 113.12 1qtt s MET 3 Ca 0.15 0.02 -0.27 0.00 -1.25 0.00 0.00 55.69 54.34 1qtt s MET 3 Cb -0.01 0.06 0.07 0.00 1.25 0.00 0.00 34.83 36.20 1qtt s MET 3 CO 0.02 -0.04 0.64 0.00 1.05 0.00 0.00 175.02 176.70 1qtt s ALA 4 N -1.16 -1.68 0.69 4.11 0.00 -1.26 -5.17 121.76 117.29 1qtt s ALA 4 Ca 0.08 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1qtt s ALA 4 Cb -0.01 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1qtt s ALA 4 CO -0.06 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1qtt n GLY 5 N 0.23 -0.12 3.64 0.00 0.00 -1.26 -5.12 105.19 102.56 1qtt n GLY 5 Ca -0.18 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 1qtt n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtt s GLU 6 N 0.00 0.33 -0.02 1.61 2.12 -1.26 -5.18 118.70 116.30 1qtt s GLU 6 Ca 0.00 0.42 -0.22 0.00 0.36 0.00 0.00 54.97 55.53 1qtt s GLU 6 Cb 0.00 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.58 1qtt s GLU 6 CO 0.00 -0.04 0.48 0.16 -0.54 0.00 0.00 175.26 175.32 1qtt s ASP 7 N 0.37 -0.40 1.19 -1.70 1.47 -1.26 -4.97 116.67 111.37 1qtt s ASP 7 Ca 0.02 0.34 -0.13 0.00 1.18 0.00 0.00 52.55 53.96 1qtt s ASP 7 Cb -0.05 0.42 0.30 0.00 -0.34 0.00 0.00 42.92 43.26 1qtt s ASP 7 CO -0.10 -0.55 1.02 -0.69 0.68 0.00 0.00 175.17 175.53 1qtt s VAL 8 N -1.43 2.00 -0.11 2.11 1.01 -1.26 -5.01 120.40 117.72 1qtt s VAL 8 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1qtt s VAL 8 Cb -0.02 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1qtt s VAL 8 CO 0.06 -0.00 -0.15 0.61 0.00 0.00 0.00 175.10 175.61 1qtt n GLY 9 N 0.96 -0.79 3.57 4.51 0.00 -1.26 -5.05 105.19 107.12 1qtt n GLY 9 Ca 0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1qtt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtt s ALA 10 N -2.82 -1.79 0.99 4.61 0.00 -1.26 -5.18 121.76 116.32 1qtt s ALA 10 Ca -0.13 1.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.34 1qtt s ALA 10 Cb 0.02 -0.59 0.19 0.00 0.00 0.00 0.00 23.12 22.73 1qtt s ALA 10 CO 0.19 -0.35 1.18 -1.25 0.00 0.00 0.00 175.76 175.53 1qtt s PRO 11 N -0.45 0.44 -0.68 0.00 0.04 -1.26 -4.94 135.00 128.16 1qtt s PRO 11 Ca -0.05 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.75 1qtt s PRO 11 Cb -0.02 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1qtt s PRO 11 CO 0.05 -2.62 1.57 -1.25 0.04 0.00 0.00 177.00 174.79 1qtt s PRO 12 N -5.46 2.91 0.60 0.56 0.04 -1.26 -4.82 135.00 127.58 1qtt s PRO 12 Ca 0.68 0.16 0.28 0.00 0.04 0.00 0.00 61.00 62.16 1qtt s PRO 12 Cb -0.11 -4.30 1.19 0.00 0.04 0.00 0.00 34.50 31.32 1qtt s PRO 12 CO 0.54 -2.44 1.58 0.22 0.04 0.00 0.00 177.00 176.94 1qtt h ASP 13 N 12.43 0.00 -4.70 6.66 1.82 -1.95 -3.40 116.42 127.28 1qtt h ASP 13 Ca -0.26 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.31 1qtt h ASP 13 Cb 1.10 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.91 1qtt h ASP 13 CO 1.25 0.00 0.07 -1.38 -1.61 0.00 0.00 179.24 177.57 1qtt s HIS 14 N -4.50 -0.59 0.06 0.28 -3.43 -1.26 -0.91 115.29 104.93 1qtt s HIS 14 Ca -0.03 1.16 0.07 0.00 -0.80 0.00 0.00 55.06 55.46 1qtt s HIS 14 Cb 0.14 0.31 -0.03 0.00 -1.43 0.00 0.00 32.58 31.58 1qtt s HIS 14 CO 0.49 -0.50 -0.20 -0.51 -2.00 0.00 0.00 174.74 172.03 1qtt s LEU 15 N -0.77 2.22 -0.20 5.38 1.43 -1.08 -3.48 118.68 122.18 1qtt s LEU 15 Ca -0.08 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1qtt s LEU 15 Cb -0.02 -0.87 0.06 0.00 0.03 0.00 0.00 46.19 45.38 1qtt s LEU 15 CO 0.06 0.10 -0.01 0.26 0.23 0.00 0.00 176.35 176.99 1qtt s TRP 16 N -0.94 1.58 -0.14 0.29 0.51 0.24 -1.82 118.94 118.66 1qtt s TRP 16 Ca 0.06 -1.17 -0.29 0.00 -2.12 0.00 0.00 56.10 52.58 1qtt s TRP 16 Cb -0.09 -1.25 -0.03 0.00 -0.81 0.00 0.00 33.47 31.28 1qtt s TRP 16 CO 0.03 -0.65 1.51 0.54 -0.51 0.00 0.00 176.95 177.86 1qtt s VAL 17 N 1.67 3.85 -0.06 4.03 0.11 -0.89 0.13 120.40 129.25 1qtt s VAL 17 Ca -0.02 1.02 0.03 0.00 -2.93 0.00 0.00 61.98 60.08 1qtt s VAL 17 Cb -0.17 -3.72 -0.06 0.00 -1.53 0.00 0.00 36.38 30.91 1qtt s VAL 17 CO -0.07 -0.16 -0.01 1.57 -3.33 0.00 0.00 175.10 173.10 1qtt n HIS 18 N 7.29 0.00 -4.23 1.54 -0.00 -0.92 -4.95 115.22 113.95 1qtt n HIS 18 Ca 0.16 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.18 1qtt n HIS 18 Cb 0.44 -0.26 -0.11 0.00 -0.12 0.00 0.00 29.99 29.94 1qtt n HIS 18 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1qtt s GLN 19 N -2.13 1.00 -0.35 1.57 -0.21 -1.20 -3.94 119.66 114.40 1qtt s GLN 19 Ca -0.05 -1.26 -0.36 0.00 0.02 0.00 0.00 55.36 53.71 1qtt s GLN 19 Cb 0.02 -0.80 -0.12 0.00 1.00 0.00 0.00 33.01 33.11 1qtt s GLN 19 CO 0.19 0.14 2.15 -0.85 -2.12 0.00 0.00 175.29 174.80 1qtt n GLU 20 N 0.41 1.03 -1.27 2.91 0.00 -1.26 0.20 120.64 122.66 1qtt n GLU 20 Ca -0.15 0.29 -0.08 0.00 0.00 0.00 0.00 57.16 57.23 1qtt n GLU 20 Cb 0.58 -2.36 -0.03 0.00 0.00 0.00 0.00 31.44 29.62 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qtt n GLY 21 N 6.40 0.96 3.20 -1.84 0.00 -1.26 -4.94 105.19 107.73 1qtt n GLY 21 Ca 0.41 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1qtt n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 22 N -2.30 1.62 0.07 -0.61 1.09 0.55 0.21 121.20 121.82 1qtt s ILE 22 Ca 0.00 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 1qtt s ILE 22 Cb 0.00 -1.35 -0.03 0.00 -1.06 0.00 0.00 42.46 40.02 1qtt s ILE 22 CO 0.00 0.46 -0.09 -0.31 -0.10 0.00 0.00 174.94 174.89 1qtt s TYR 23 N -0.34 0.92 -0.14 3.97 2.02 0.25 -2.16 117.35 121.86 1qtt s TYR 23 Ca 0.04 -0.60 -0.03 0.00 -0.37 0.00 0.00 57.07 56.12 1qtt s TYR 23 Cb -0.09 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1qtt s TYR 23 CO 0.00 -0.04 -0.03 0.50 -1.57 0.00 0.00 175.55 174.41 1qtt s ARG 24 N -2.29 3.53 1.00 -0.62 3.52 0.35 0.24 118.95 124.69 1qtt s ARG 24 Ca -0.01 -0.50 -0.17 0.00 -0.13 0.00 0.00 55.73 54.92 1qtt s ARG 24 Cb -0.06 -2.88 0.22 0.00 -1.56 0.00 0.00 34.95 30.67 1qtt s ARG 24 CO -0.00 0.33 1.32 0.34 -0.81 0.00 0.00 175.30 176.48 1qtt s ASP 25 N 0.12 2.77 -0.16 -2.12 -1.08 0.53 -0.59 116.67 116.14 1qtt s ASP 25 Ca -0.01 0.25 0.10 0.00 -0.52 0.00 0.00 52.55 52.37 1qtt s ASP 25 Cb -0.14 -0.27 0.58 0.00 -1.46 0.00 0.00 42.92 41.64 1qtt s ASP 25 CO 0.03 -2.94 1.38 1.21 0.52 0.00 0.00 175.17 175.36 1qtt n GLU 26 N -3.90 3.72 -0.82 4.34 2.13 -1.23 -3.79 120.64 121.09 1qtt n GLU 26 Ca 0.16 -2.22 0.01 0.00 0.66 0.00 0.00 57.16 55.77 1qtt n GLU 26 Cb 0.59 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1qtt n TYR 27 N 0.46 0.00 -2.79 4.31 4.01 -1.26 -4.99 117.16 116.90 1qtt n TYR 27 Ca 0.20 -0.18 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1qtt n TYR 27 Cb 0.91 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.97 1qtt n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qtt n GLN 28 N 0.14 -2.98 -4.06 -0.72 1.13 -1.25 -5.03 117.38 104.62 1qtt n GLN 28 Ca -0.00 0.34 -0.32 0.00 -1.94 0.00 0.00 57.00 55.08 1qtt n GLN 28 Cb 0.81 -3.86 -0.16 0.00 0.11 0.00 0.00 30.24 27.14 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qtt s ARG 29 N -5.11 2.50 0.26 -1.09 0.52 -1.26 -4.92 118.95 109.84 1qtt s ARG 29 Ca 0.14 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 1qtt s ARG 29 Cb -0.06 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 1qtt s ARG 29 CO 0.29 -0.31 0.94 0.95 0.02 0.00 0.00 175.30 177.20 1qtt s THR 30 N 1.35 4.10 0.11 0.02 -4.23 -1.26 0.20 115.64 115.93 1qtt s THR 30 Ca 0.02 2.03 0.09 0.00 -1.18 0.00 0.00 61.69 62.65 1qtt s THR 30 Cb -0.14 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.40 1qtt s THR 30 CO -0.10 0.43 -0.22 0.26 -0.54 0.00 0.00 174.62 174.44 1qtt s TRP 31 N -1.27 1.90 -0.65 3.99 0.52 0.68 -2.35 118.94 121.76 1qtt s TRP 31 Ca 0.43 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 56.12 1qtt s TRP 31 Cb -0.24 -1.03 0.17 0.00 -1.15 0.00 0.00 33.47 31.21 1qtt s TRP 31 CO 0.30 0.25 0.46 0.08 0.02 0.00 0.00 176.95 178.06 1qtt s VAL 32 N -1.22 3.65 -0.40 4.03 1.01 0.68 0.86 120.40 129.00 1qtt s VAL 32 Ca 0.09 -3.14 -0.28 0.00 0.00 0.00 0.00 61.98 58.65 1qtt s VAL 32 Cb -0.10 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1qtt s VAL 32 CO 0.05 -0.90 1.04 0.00 0.00 0.00 0.00 175.10 175.29 1qtt s ALA 33 N -0.28 3.34 -0.35 5.51 0.00 0.55 -1.35 121.76 129.18 1qtt s ALA 33 Ca 0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1qtt s ALA 33 Cb -0.19 -3.70 0.07 0.00 0.00 0.00 0.00 23.12 19.29 1qtt s ALA 33 CO -0.04 -1.82 0.11 0.14 0.00 0.00 0.00 175.76 174.15 1qtt s VAL 34 N 3.87 3.39 -0.07 0.00 -7.23 0.10 -4.00 120.40 116.46 1qtt s VAL 34 Ca 0.43 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1qtt s VAL 34 Cb -0.10 -3.06 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 1qtt s VAL 34 CO 0.22 -0.33 2.05 0.55 -0.31 0.00 0.00 175.10 177.28 1qtt n VAL 35 N 4.69 0.60 -3.69 1.32 3.14 -1.26 -1.82 118.33 121.31 1qtt n VAL 35 Ca -0.09 -0.24 -0.33 0.00 -2.96 0.00 0.00 64.34 60.72 1qtt n VAL 35 Cb 0.43 -2.32 -0.08 0.00 -1.06 0.00 0.00 33.84 30.81 1qtt n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1qtt n GLU 36 N 7.83 2.43 -1.37 1.45 -0.58 0.48 -4.96 120.64 125.91 1qtt n GLU 36 Ca 0.24 -4.51 -0.51 0.00 -0.42 0.00 0.00 57.16 51.96 1qtt n GLU 36 Cb 0.40 -2.36 -0.12 0.00 -0.57 0.00 0.00 31.44 28.79 1qtt n GLU 36 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1qtt n GLU 37 N 2.03 0.15 -1.11 3.49 2.13 -1.26 -3.62 120.64 122.44 1qtt n GLU 37 Ca 0.22 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.77 1qtt n GLU 37 Cb 0.36 -1.67 0.13 0.00 0.27 0.00 0.00 31.44 30.54 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1qtt s GLU 38 N 7.21 1.41 0.58 5.31 0.41 -0.10 -4.84 118.70 128.69 1qtt s GLU 38 Ca 1.24 1.03 0.32 0.00 -0.41 0.00 0.00 54.97 57.15 1qtt s GLU 38 Cb -1.30 -1.81 1.34 0.00 -1.78 0.00 0.00 34.13 30.58 1qtt s GLU 38 CO 0.57 -2.19 1.66 1.15 -0.49 0.00 0.00 175.26 175.95 1qtt h THR 39 N -1.53 0.22 0.00 3.63 2.02 -2.04 -2.95 112.91 112.26 1qtt h THR 39 Ca -0.47 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.57 1qtt h THR 39 Cb 1.27 0.32 -0.12 0.00 -1.74 0.00 0.00 68.15 67.88 1qtt h THR 39 CO 0.52 0.00 -0.19 -0.24 0.37 0.00 0.00 175.52 175.97 1qtt n SER 40 N -3.67 -1.21 -2.27 4.18 2.88 -1.26 -5.15 113.62 107.13 1qtt n SER 40 Ca 0.20 -1.97 -0.07 0.00 -1.33 0.00 0.00 58.87 55.70 1qtt n SER 40 Cb 1.18 0.62 0.02 0.00 -0.75 0.00 0.00 64.21 65.28 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qtt n PHE 41 N -1.02 -1.90 -3.83 0.66 3.72 -1.12 -4.99 117.46 108.98 1qtt n PHE 41 Ca -0.13 -1.34 -0.30 0.00 -0.05 0.00 0.00 57.45 55.63 1qtt n PHE 41 Cb 0.78 0.63 -0.14 0.00 -0.94 0.00 0.00 39.48 39.81 1qtt n PHE 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qtt s LEU 42 N 0.00 3.31 -0.13 4.37 2.01 -1.19 -0.92 118.68 126.13 1qtt s LEU 42 Ca 0.12 -2.23 -0.04 0.00 0.01 0.00 0.00 54.13 51.99 1qtt s LEU 42 Cb -0.03 -1.22 -0.03 0.00 0.01 0.00 0.00 46.19 44.92 1qtt s LEU 42 CO 0.09 -0.34 -0.01 -0.60 1.01 0.00 0.00 176.35 176.50 1qtt s ARG 43 N 0.83 3.46 -0.31 1.70 3.52 -1.24 0.57 118.95 127.49 1qtt s ARG 43 Ca 0.13 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1qtt s ARG 43 Cb -0.21 -2.92 0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1qtt s ARG 43 CO -0.10 0.42 -0.01 0.00 -0.81 0.00 0.00 175.30 174.80 1qtt s ALA 44 N -0.11 2.77 -0.43 6.12 0.00 0.54 0.18 121.76 130.84 1qtt s ALA 44 Ca 0.04 -2.16 -0.29 0.00 0.00 0.00 0.00 51.96 49.55 1qtt s ALA 44 Cb -0.13 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1qtt s ALA 44 CO 0.02 -1.46 1.30 0.50 0.00 0.00 0.00 175.76 176.12 1qtt s ARG 45 N 1.02 3.66 -0.40 0.00 3.52 -0.76 -1.27 118.95 124.73 1qtt s ARG 45 Ca 0.01 0.83 -0.17 0.00 -0.13 0.00 0.00 55.73 56.27 1qtt s ARG 45 Cb -0.20 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.24 1qtt s ARG 45 CO -0.06 -1.46 0.41 0.08 -0.81 0.00 0.00 175.30 173.46 1qtt s VAL 46 N 4.98 5.12 -0.13 7.11 1.01 0.67 0.03 120.40 139.18 1qtt s VAL 46 Ca 0.56 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1qtt s VAL 46 Cb -0.11 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1qtt s VAL 46 CO 0.31 -0.33 0.00 -1.58 0.00 0.00 0.00 175.10 173.50 1qtt s GLN 47 N 2.08 3.48 -0.15 2.72 0.74 -0.46 0.25 119.66 128.33 1qtt s GLN 47 Ca 0.12 -0.43 -0.22 0.00 0.05 0.00 0.00 55.36 54.87 1qtt s GLN 47 Cb -0.17 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 1qtt s GLN 47 CO 0.13 0.43 0.69 -1.14 -0.55 0.00 0.00 175.29 174.84 1qtt s GLN 48 N -0.12 4.30 0.26 1.67 2.00 0.27 0.25 119.66 128.29 1qtt s GLN 48 Ca 0.04 0.77 -0.14 0.00 -2.00 0.00 0.00 55.36 54.04 1qtt s GLN 48 Cb -0.13 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.15 1qtt s GLN 48 CO 0.02 -0.15 0.52 0.96 -0.50 0.00 0.00 175.29 176.13 1qtt s ILE 49 N 1.59 0.00 -0.50 -2.34 -0.00 -0.99 -4.13 121.20 114.83 1qtt s ILE 49 Ca 0.33 -1.35 -0.09 0.00 -0.00 0.00 0.00 60.65 59.54 1qtt s ILE 49 Cb -0.16 -2.20 0.13 0.00 -0.00 0.00 0.00 42.46 40.22 1qtt s ILE 49 CO 0.13 0.00 0.37 0.00 -0.00 0.00 0.00 174.94 175.44 1qtt s GLN 50 N -3.94 2.53 -0.01 0.37 0.00 -1.26 -3.99 119.66 113.35 1qtt s GLN 50 Ca 0.21 -1.84 -0.01 0.00 -0.00 0.00 0.00 55.36 53.72 1qtt s GLN 50 Cb -0.01 -3.94 0.01 0.00 0.00 0.00 0.00 33.01 29.07 1qtt s GLN 50 CO 0.09 -1.20 0.03 0.14 0.00 0.00 0.00 175.29 174.35 1qtt s VAL 51 N 1.23 -0.02 0.24 3.63 -7.23 -1.26 -5.13 120.40 111.85 1qtt s VAL 51 Ca 0.07 0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 1qtt s VAL 51 Cb -0.25 -0.06 -0.09 0.00 0.56 0.00 0.00 36.38 36.54 1qtt s VAL 51 CO -0.01 0.03 1.10 -2.16 -0.31 0.00 0.00 175.10 173.74 1qtt s PRO 52 N 0.37 4.63 -0.33 4.82 0.04 -1.26 -4.89 135.00 138.38 1qtt s PRO 52 Ca -0.03 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1qtt s PRO 52 Cb -0.04 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1qtt s PRO 52 CO -0.01 0.16 0.49 -0.51 0.04 0.00 0.00 177.00 177.17 1qtt s LEU 53 N -0.98 4.27 -0.56 -3.56 1.02 -1.26 -4.97 118.68 112.63 1qtt s LEU 53 Ca 0.46 0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.76 1qtt s LEU 53 Cb -0.31 -2.56 0.33 0.00 0.02 0.00 0.00 46.19 43.67 1qtt s LEU 53 CO 0.38 -0.40 0.90 0.61 0.02 0.00 0.00 176.35 177.85 1qtt n GLY 54 N 4.73 5.27 0.00 -3.19 0.00 -1.26 -4.99 105.19 105.75 1qtt n GLY 54 Ca -0.05 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.31 1qtt n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qtt n ASP 55 N -0.03 0.00 -2.62 1.61 2.03 -1.26 -5.06 116.55 111.23 1qtt n ASP 55 Ca 0.30 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.49 1qtt n ASP 55 Cb 0.42 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.85 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qtt n ALA 56 N -0.53 3.73 -1.17 -1.67 0.00 -1.25 -4.32 120.51 115.30 1qtt n ALA 56 Ca 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1qtt n ALA 56 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1qtt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtt n ALA 57 N -0.24 0.00 -3.14 0.00 0.00 -1.26 -5.04 120.51 110.83 1qtt n ALA 57 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.40 1qtt n ALA 57 Cb 0.79 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.20 1qtt n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtt n ARG 58 N 0.00 1.44 0.00 0.00 1.74 -1.26 -4.95 116.66 113.63 1qtt n ARG 58 Ca 0.00 -3.70 0.00 0.00 -0.77 0.00 0.00 57.85 53.38 1qtt n ARG 58 Cb 0.00 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 1qtt n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qtt n PRO 59 N 0.26 0.00 -0.18 5.56 -0.04 -1.26 -2.77 135.00 136.56 1qtt n PRO 59 Ca 0.26 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 64.01 1qtt n PRO 59 Cb 0.59 -0.13 0.61 0.00 -0.04 0.00 0.00 33.50 34.53 1qtt n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qtt h SER 60 N 0.00 0.00 -0.03 3.54 4.64 -1.92 1.72 113.55 121.50 1qtt h SER 60 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qtt h SER 60 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qtt h SER 60 CO 0.00 0.00 0.02 0.45 -0.87 0.00 0.00 176.83 176.43 1qtt h HIS 61 N 0.00 0.04 -0.00 4.77 3.86 -1.93 1.40 115.15 123.29 1qtt h HIS 61 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1qtt h HIS 61 Cb 2.38 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.84 1qtt h HIS 61 CO 0.00 0.05 -0.73 1.28 0.86 0.00 0.00 177.93 179.39 1qtt n LEU 62 N -5.05 0.91 -0.05 2.43 7.99 0.29 -2.87 117.00 120.65 1qtt n LEU 62 Ca -0.07 -0.33 -0.03 0.00 -0.01 0.00 0.00 56.01 55.58 1qtt n LEU 62 Cb 0.04 -0.10 -0.01 0.00 -0.11 0.00 0.00 43.42 43.25 1qtt n LEU 62 CO 0.33 0.21 -0.21 -0.07 -1.51 0.00 0.00 177.39 176.14 1qtt h LEU 63 N 0.28 0.00 0.26 2.23 4.07 0.24 -3.43 115.31 118.96 1qtt h LEU 63 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1qtt h LEU 63 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1qtt h LEU 63 CO 0.00 0.48 -0.13 0.74 -1.08 0.00 0.00 178.44 178.46 1qtt h THR 64 N -0.66 0.00 -3.87 0.22 2.02 0.17 -3.48 112.91 107.30 1qtt h THR 64 Ca 0.00 -0.71 -0.24 0.00 0.77 0.00 0.00 66.41 66.23 1qtt h THR 64 Cb 0.31 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 66.80 1qtt h THR 64 CO 0.00 0.00 -0.40 -1.54 0.37 0.00 0.00 175.52 173.95 1qtt n SER 65 N -4.92 -4.62 0.10 4.18 3.41 -0.52 -4.91 113.62 106.35 1qtt n SER 65 Ca -0.04 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1qtt n SER 65 Cb 0.14 -3.20 0.00 0.00 -0.26 0.00 0.00 64.21 60.89 1qtt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtt n GLN 66 N -3.18 0.00 -2.07 4.33 1.13 -1.26 -5.07 117.38 111.25 1qtt n GLN 66 Ca 0.00 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.66 1qtt n GLN 66 Cb 0.54 -0.21 -0.01 0.00 0.11 0.00 0.00 30.24 30.66 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1qtt s LEU 67 N -6.88 4.34 0.94 1.08 1.02 -1.26 -5.00 118.68 112.91 1qtt s LEU 67 Ca 0.00 2.70 -0.13 0.00 0.02 0.00 0.00 54.13 56.72 1qtt s LEU 67 Cb 0.00 -3.75 0.16 0.00 0.02 0.00 0.00 46.19 42.62 1qtt s LEU 67 CO 0.00 -0.67 1.15 -2.16 0.02 0.00 0.00 176.35 174.69 1qtt s PRO 68 N -1.99 0.91 0.45 1.29 0.04 -1.26 -4.95 135.00 129.48 1qtt s PRO 68 Ca 0.52 0.19 0.25 0.00 0.04 0.00 0.00 61.00 62.00 1qtt s PRO 68 Cb -0.39 -1.82 0.63 0.00 0.04 0.00 0.00 34.50 32.96 1qtt s PRO 68 CO 0.52 -2.34 1.71 1.25 0.04 0.00 0.00 177.00 178.18 1qtt h LEU 69 N -1.60 0.00 -7.06 -3.56 7.12 -1.94 -3.44 115.31 104.83 1qtt h LEU 69 Ca -0.49 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.46 1qtt h LEU 69 Cb 1.32 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 41.24 1qtt h LEU 69 CO 0.58 0.10 0.09 -0.32 -0.13 0.00 0.00 178.44 178.75 1qtt s MET 70 N -3.34 0.87 0.16 1.25 1.75 -1.26 -2.10 119.30 116.63 1qtt s MET 70 Ca 0.04 0.64 0.06 0.00 -1.25 0.00 0.00 55.69 55.18 1qtt s MET 70 Cb 0.07 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.12 1qtt s MET 70 CO 0.64 -0.18 0.04 -1.58 -0.65 0.00 0.00 175.02 173.29 1qtt s TRP 71 N -0.27 2.94 -0.33 4.11 0.51 -0.76 -3.64 118.94 121.51 1qtt s TRP 71 Ca -0.05 -0.09 -0.01 0.00 -2.12 0.00 0.00 56.10 53.83 1qtt s TRP 71 Cb -0.03 -1.43 0.11 0.00 -0.81 0.00 0.00 33.47 31.31 1qtt s TRP 71 CO 0.04 0.52 0.15 -1.14 -0.51 0.00 0.00 176.95 176.01 1qtt s GLN 72 N -2.94 0.60 -0.13 4.98 2.00 0.81 -2.64 119.66 122.34 1qtt s GLN 72 Ca 0.28 -1.09 -0.40 0.00 -2.00 0.00 0.00 55.36 52.15 1qtt s GLN 72 Cb -0.10 -1.63 -0.18 0.00 0.80 0.00 0.00 33.01 31.90 1qtt s GLN 72 CO 0.20 -1.07 1.41 -0.11 -0.50 0.00 0.00 175.29 175.22 1qtt n LEU 73 N 4.61 1.31 0.00 3.68 7.94 -0.09 0.45 117.00 134.91 1qtt n LEU 73 Ca 0.01 1.13 -0.27 0.00 -1.11 0.00 0.00 56.01 55.78 1qtt n LEU 73 Cb 0.40 -1.05 -0.07 0.00 0.53 0.00 0.00 43.42 43.23 1qtt n LEU 73 CO 0.12 -1.09 -0.18 -1.22 -1.11 0.00 0.00 177.39 173.90 1qtt n TYR 74 N 3.20 0.56 -1.51 1.96 4.02 0.24 -4.76 117.16 120.87 1qtt n TYR 74 Ca 0.23 -2.42 -0.30 0.00 -0.01 0.00 0.00 57.90 55.40 1qtt n TYR 74 Cb 0.10 -0.14 0.20 0.00 -0.02 0.00 0.00 39.34 39.48 1qtt n TYR 74 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1qtt s PRO 75 N -3.58 -0.03 -1.11 -0.72 0.04 -1.26 -3.37 135.00 124.97 1qtt s PRO 75 Ca 0.11 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1qtt s PRO 75 Cb 0.01 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1qtt s PRO 75 CO 0.08 -2.90 0.00 0.39 0.04 0.00 0.00 177.00 174.60 1qtt n GLU 76 N -4.17 -1.04 -3.42 4.56 -0.58 -1.26 -2.65 120.64 112.07 1qtt n GLU 76 Ca 0.13 0.83 -0.17 0.00 -0.42 0.00 0.00 57.16 57.53 1qtt n GLU 76 Cb 0.59 -4.89 0.09 0.00 -0.57 0.00 0.00 31.44 26.66 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1qtt n GLU 77 N -2.07 -6.25 -4.02 3.49 2.13 -1.25 -4.89 120.64 107.78 1qtt n GLU 77 Ca -0.10 0.84 -0.08 0.00 0.66 0.00 0.00 57.16 58.48 1qtt n GLU 77 Cb 0.42 -5.85 -0.09 0.00 0.27 0.00 0.00 31.44 26.19 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1qtt s ARG 78 N -5.31 0.63 -0.16 5.31 0.52 -1.08 -1.74 118.95 117.12 1qtt s ARG 78 Ca 0.04 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.13 1qtt s ARG 78 Cb -0.00 0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 1qtt s ARG 78 CO 0.73 -0.14 -0.07 0.71 0.02 0.00 0.00 175.30 176.56 1qtt s TYR 79 N -3.63 2.94 -0.32 -0.53 1.51 0.35 0.82 117.35 118.49 1qtt s TYR 79 Ca 0.04 -0.55 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 1qtt s TYR 79 Cb 0.05 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1qtt s TYR 79 CO -0.09 -0.21 0.23 1.41 -1.11 0.00 0.00 175.55 175.79 1qtt s MET 80 N 0.62 3.66 0.78 -0.62 -2.45 0.17 0.81 119.30 122.27 1qtt s MET 80 Ca -0.04 -0.51 -0.02 0.00 -1.25 0.00 0.00 55.69 53.86 1qtt s MET 80 Cb -0.15 -3.76 0.16 0.00 1.25 0.00 0.00 34.83 32.34 1qtt s MET 80 CO 0.03 -0.36 1.07 -0.40 1.05 0.00 0.00 175.02 176.41 1qtt n ASP 81 N 5.11 1.21 -1.02 1.11 3.85 -0.83 -0.14 116.55 125.84 1qtt n ASP 81 Ca -0.13 -2.07 0.12 0.00 -0.71 0.00 0.00 54.79 52.00 1qtt n ASP 81 Cb 0.50 -0.71 0.15 0.00 -1.35 0.00 0.00 41.12 39.71 1qtt n ASP 81 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1qtt n ASN 82 N -3.04 3.14 0.00 -1.12 5.15 -1.24 -4.02 115.26 114.13 1qtt n ASN 82 Ca 0.17 -1.99 0.15 0.00 -0.60 0.00 0.00 54.58 52.31 1qtt n ASN 82 Cb 0.60 -0.09 0.83 0.00 -0.53 0.00 0.00 39.78 40.59 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qtt n ASN 83 N 1.38 0.00 -0.21 1.20 2.85 -1.26 -4.85 115.26 114.37 1qtt n ASN 83 Ca 0.16 -0.57 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 1qtt n ASN 83 Cb 0.60 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qtt n SER 84 N -1.13 -1.19 -4.06 1.20 2.88 -1.26 -5.07 113.62 104.98 1qtt n SER 84 Ca 0.19 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1qtt n SER 84 Cb 0.16 -0.38 -0.09 0.00 -0.75 0.00 0.00 64.21 63.15 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1qtt s ARG 85 N -3.58 0.84 -0.21 -1.46 0.52 -1.26 -5.07 118.95 108.72 1qtt s ARG 85 Ca 0.00 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1qtt s ARG 85 Cb 0.00 0.26 0.05 0.00 0.52 0.00 0.00 34.95 35.78 1qtt s ARG 85 CO 0.00 -0.23 -0.08 -1.17 0.02 0.00 0.00 175.30 173.84 1qtt s LEU 86 N -2.97 2.29 0.13 2.53 0.20 -1.26 -1.97 118.68 117.63 1qtt s LEU 86 Ca 0.14 -0.95 -0.23 0.00 0.69 0.00 0.00 54.13 53.78 1qtt s LEU 86 Cb 0.07 -1.17 -0.07 0.00 -0.43 0.00 0.00 46.19 44.58 1qtt s LEU 86 CO -0.04 -0.18 0.69 0.26 -0.29 0.00 0.00 176.35 176.78 1qtt s TRP 87 N 1.43 3.86 -0.25 5.38 0.52 0.24 -4.30 118.94 125.83 1qtt s TRP 87 Ca -0.03 1.48 -0.13 0.00 0.02 0.00 0.00 56.10 57.44 1qtt s TRP 87 Cb -0.17 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 1qtt s TRP 87 CO -0.07 0.54 0.29 -1.14 0.02 0.00 0.00 176.95 176.59 1qtt s GLN 88 N -1.15 4.06 -0.77 4.98 0.74 0.95 0.13 119.66 128.60 1qtt s GLN 88 Ca 0.33 -0.07 -0.26 0.00 0.05 0.00 0.00 55.36 55.42 1qtt s GLN 88 Cb -0.21 -3.59 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 1qtt s GLN 88 CO 0.23 -0.10 2.25 0.42 -0.55 0.00 0.00 175.29 177.53 1qtt s ILE 89 N 1.53 3.15 0.23 -2.34 -1.09 -0.71 -0.11 121.20 121.87 1qtt s ILE 89 Ca 0.12 -0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.40 1qtt s ILE 89 Cb -0.15 -3.35 0.19 0.00 -1.58 0.00 0.00 42.46 37.57 1qtt s ILE 89 CO 0.08 -0.33 1.75 1.56 -1.23 0.00 0.00 174.94 176.77 1qtt h GLN 90 N 13.42 0.48 -1.40 2.79 1.08 -0.83 -3.44 115.11 127.21 1qtt h GLN 90 Ca -0.02 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.26 1qtt h GLN 90 Cb 1.05 -0.11 -0.28 0.00 -0.05 0.00 0.00 27.48 28.10 1qtt h GLN 90 CO 1.10 0.32 0.64 -3.38 -0.95 0.00 0.00 178.83 176.55 1qtt s HIS 91 N -6.04 -0.30 -0.13 2.96 -3.43 -1.22 -4.97 115.29 102.15 1qtt s HIS 91 Ca -0.13 0.68 -0.04 0.00 -0.80 0.00 0.00 55.06 54.77 1qtt s HIS 91 Cb 0.19 0.42 0.05 0.00 -1.43 0.00 0.00 32.58 31.82 1qtt s HIS 91 CO 0.76 -0.18 0.09 -1.58 -2.00 0.00 0.00 174.74 171.84 1qtt s HIS 92 N -0.20 0.10 0.27 0.38 2.46 -1.26 0.57 115.29 117.61 1qtt s HIS 92 Ca 0.04 -0.07 -0.09 0.00 0.47 0.00 0.00 55.06 55.41 1qtt s HIS 92 Cb -0.04 -0.59 0.04 0.00 -0.13 0.00 0.00 32.58 31.86 1qtt s HIS 92 CO -0.07 -0.42 0.52 1.47 -2.47 0.00 0.00 174.74 173.77 1qtt n LEU 93 N 5.29 0.00 -4.40 8.88 -0.00 -1.16 -4.99 117.00 120.62 1qtt n LEU 93 Ca -0.06 -1.77 -0.35 0.00 -0.00 0.00 0.00 56.01 53.84 1qtt n LEU 93 Cb 0.49 2.55 -0.13 0.00 -0.00 0.00 0.00 43.42 46.33 1qtt n LEU 93 CO 0.08 -0.58 -0.36 -0.32 -0.00 0.00 0.00 177.39 176.22 1qtt s MET 94 N -2.09 3.53 -0.06 1.47 -2.45 -1.26 -0.47 119.30 117.97 1qtt s MET 94 Ca 0.11 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 54.03 1qtt s MET 94 Cb -0.03 -3.01 -0.00 0.00 1.25 0.00 0.00 34.83 33.04 1qtt s MET 94 CO 0.08 -0.02 -0.19 0.08 1.05 0.00 0.00 175.02 176.03 1qtt s VAL 95 N 1.05 1.62 -1.48 10.11 1.01 0.57 -4.70 120.40 128.57 1qtt s VAL 95 Ca 0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 1qtt s VAL 95 Cb -0.14 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 34.94 1qtt s VAL 95 CO 0.01 0.46 0.71 0.54 0.00 0.00 0.00 175.10 176.82 1qtt n ARG 96 N 3.34 -3.87 -1.80 2.72 5.12 -1.26 0.14 116.66 121.05 1qtt n ARG 96 Ca -0.19 0.48 -0.12 0.00 -1.93 0.00 0.00 57.85 56.09 1qtt n ARG 96 Cb 0.53 -5.24 -0.03 0.00 -1.16 0.00 0.00 32.46 26.55 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtt n GLY 97 N -1.37 0.55 2.92 -0.13 0.00 -1.26 -5.00 105.19 100.90 1qtt n GLY 97 Ca 0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1qtt n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtt s VAL 98 N -2.51 0.62 -0.35 1.61 1.01 0.37 -5.07 120.40 116.07 1qtt s VAL 98 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 1qtt s VAL 98 Cb 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1qtt s VAL 98 CO 0.00 0.24 1.09 -1.10 0.00 0.00 0.00 175.10 175.33 1qtt s GLN 99 N 0.78 3.99 -0.36 2.72 -0.21 -1.26 0.21 119.66 125.53 1qtt s GLN 99 Ca -0.11 0.96 -0.06 0.00 0.02 0.00 0.00 55.36 56.17 1qtt s GLN 99 Cb -0.14 -3.78 0.06 0.00 1.00 0.00 0.00 33.01 30.15 1qtt s GLN 99 CO 0.01 -1.01 0.14 -2.00 -2.12 0.00 0.00 175.29 170.31 1qtt s GLU 100 N 3.83 2.54 -0.25 2.91 2.12 0.39 0.95 118.70 131.19 1qtt s GLU 100 Ca 0.46 -1.31 -0.09 0.00 0.36 0.00 0.00 54.97 54.38 1qtt s GLU 100 Cb -0.11 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1qtt s GLU 100 CO 0.19 -0.77 0.13 -1.17 -0.54 0.00 0.00 175.26 173.10 1qtt s LEU 101 N 1.37 3.81 -0.22 2.70 0.20 0.71 -2.98 118.68 124.27 1qtt s LEU 101 Ca 0.00 -0.05 -0.12 0.00 0.69 0.00 0.00 54.13 54.65 1qtt s LEU 101 Cb -0.21 -2.03 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 1qtt s LEU 101 CO 0.02 0.00 0.23 -0.76 -0.29 0.00 0.00 176.35 175.55 1qtt s LEU 102 N 1.42 4.14 -0.15 -0.68 1.43 0.19 0.24 118.68 125.28 1qtt s LEU 102 Ca 0.06 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1qtt s LEU 102 Cb -0.15 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 1qtt s LEU 102 CO 0.06 0.04 -0.16 -0.76 0.23 0.00 0.00 176.35 175.77 1qtt s LEU 103 N 1.01 2.45 -0.14 1.79 1.43 -0.40 -0.13 118.68 124.70 1qtt s LEU 103 Ca 0.11 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1qtt s LEU 103 Cb -0.14 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1qtt s LEU 103 CO 0.05 0.09 -0.14 -0.75 0.23 0.00 0.00 176.35 175.83 1qtt s LYS 104 N 0.77 3.32 -0.18 1.70 2.36 0.84 0.20 119.74 128.76 1qtt s LYS 104 Ca -0.06 -0.71 -0.05 0.00 -2.55 0.00 0.00 55.97 52.60 1qtt s LYS 104 Cb -0.15 -2.63 -0.03 0.00 -1.05 0.00 0.00 37.83 33.97 1qtt s LYS 104 CO 0.00 0.14 -0.01 -1.17 1.55 0.00 0.00 175.35 175.86 1qtt s LEU 105 N 0.53 3.32 0.30 5.43 2.96 0.19 0.32 118.68 131.74 1qtt s LEU 105 Ca -0.09 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1qtt s LEU 105 Cb -0.16 -1.82 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1qtt s LEU 105 CO 0.04 0.13 0.62 -0.76 -1.32 0.00 0.00 176.35 175.06 1qtt s LEU 106 N 0.61 4.05 0.49 -0.68 1.02 -1.26 -3.18 118.68 119.72 1qtt s LEU 106 Ca -0.01 0.93 -0.20 0.00 0.02 0.00 0.00 54.13 54.87 1qtt s LEU 106 Cb -0.14 -3.74 -0.08 0.00 0.02 0.00 0.00 46.19 42.24 1qtt s LEU 106 CO 0.02 -0.20 1.04 -2.16 0.02 0.00 0.00 176.35 175.07 1qtt s PRO 107 N -3.31 3.80 -0.46 1.29 0.04 -1.26 -4.93 135.00 130.17 1qtt s PRO 107 Ca 0.48 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 1qtt s PRO 107 Cb -0.11 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1qtt s PRO 107 CO 0.26 -0.43 0.90 0.34 0.04 0.00 0.00 177.00 178.10 1qtt s ASP 108 N -1.98 6.47 0.18 6.66 2.15 -1.26 -4.98 116.67 123.91 1qtt s ASP 108 Ca 0.67 0.05 -0.32 0.00 0.43 0.00 0.00 52.55 53.38 1qtt s ASP 108 Cb -0.16 -2.44 -0.16 0.00 -0.30 0.00 0.00 42.92 39.86 1qtt s ASP 108 CO 0.20 -1.03 0.95 0.47 -0.17 0.00 0.00 175.17 175.59 1qtt n ASP 109 N 7.08 0.46 -4.09 -0.34 9.92 -1.26 -4.97 116.55 123.35 1qtt n ASP 109 Ca 0.05 1.15 -0.12 0.00 -0.53 0.00 0.00 54.79 55.34 1qtt n ASP 109 Cb 0.48 -1.12 -0.11 0.00 -0.64 0.00 0.00 41.12 39.73 1qtt n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qtt s ARG 110 N -0.72 0.62 -0.01 -1.24 1.70 -1.26 -5.10 118.95 112.93 1qtt s ARG 110 Ca 0.70 -0.94 -0.40 0.00 -0.47 0.00 0.00 55.73 54.63 1qtt s ARG 110 Cb -0.90 -0.25 -0.19 0.00 -0.57 0.00 0.00 34.95 33.04 1qtt s ARG 110 CO 0.55 0.03 1.19 0.45 -1.08 0.00 0.00 175.30 176.43 1qtt n SER 111 N 0.98 0.54 -4.79 -2.89 2.88 -1.26 -4.88 113.62 104.20 1qtt n SER 111 Ca -0.19 1.15 -0.35 0.00 -1.33 0.00 0.00 58.87 58.15 1qtt n SER 111 Cb 0.57 -0.99 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 1qtt n SER 111 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1qtt s PRO 112 N 0.38 3.90 -0.33 -1.46 0.04 -1.26 -5.04 135.00 131.23 1qtt s PRO 112 Ca 0.90 1.41 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1qtt s PRO 112 Cb -1.20 -2.22 0.15 0.00 0.04 0.00 0.00 34.50 31.27 1qtt s PRO 112 CO 0.56 -0.35 0.34 0.20 0.04 0.00 0.00 177.00 177.79 1qtt s GLY 113 N -1.86 -0.09 -0.09 0.56 0.00 -1.26 -5.01 107.32 99.57 1qtt s GLY 113 Ca 0.65 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 1qtt s GLY 113 CO 0.22 2.71 0.13 4.51 0.00 0.00 0.00 173.10 180.67 1qtt n ILE 114 N 4.75 -1.95 -3.14 0.90 0.13 -1.26 -4.80 119.36 113.99 1qtt n ILE 114 Ca 0.05 0.31 -0.45 0.00 -1.10 0.00 0.00 62.75 61.56 1qtt n ILE 114 Cb 0.46 -2.48 -0.02 0.00 -0.84 0.00 0.00 39.64 36.76 1qtt n ILE 114 CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 1qtt s HIS 115 N -0.88 3.55 -0.09 9.51 -3.43 -1.26 -4.97 115.29 117.72 1qtt s HIS 115 Ca 0.08 -1.85 -0.08 0.00 -0.80 0.00 0.00 55.06 52.40 1qtt s HIS 115 Cb -0.01 -4.04 0.02 0.00 -1.43 0.00 0.00 32.58 27.12 1qtt s HIS 115 CO 0.17 -1.21 0.24 -0.98 -2.00 0.00 0.00 174.74 170.96 1qtt s ARG 116 N 1.10 0.29 0.00 -0.38 1.04 -1.26 -5.28 118.95 114.45 1qtt s ARG 116 Ca 0.27 0.30 0.00 0.00 -1.04 0.00 0.00 55.73 55.27 1qtt s ARG 116 Cb -0.07 0.14 0.00 0.00 -2.04 0.00 0.00 34.95 32.98 1qtt s ARG 116 CO -0.08 -0.04 0.24 -0.25 -0.04 0.00 0.00 175.30 175.13