#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kt2 s GLN 2 N 0.00 3.09 -0.07 0.54 0.74 -1.26 -1.39 119.66 121.31 3kt2 s GLN 2 Ca 0.00 -0.54 -0.00 0.00 0.05 0.00 0.00 55.36 54.86 3kt2 s GLN 2 Cb 0.00 -2.86 0.03 0.00 1.10 0.00 0.00 33.01 31.27 3kt2 s GLN 2 CO 0.00 0.61 -0.03 0.08 -0.55 0.00 0.00 175.29 175.40 3kt2 s VAL 3 N -1.34 0.58 0.81 1.34 1.01 0.98 -4.97 120.40 118.81 3kt2 s VAL 3 Ca 0.28 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 3kt2 s VAL 3 Cb -0.12 -0.67 0.13 0.00 0.00 0.00 0.00 36.38 35.72 3kt2 s VAL 3 CO 0.20 0.28 1.13 0.42 0.00 0.00 0.00 175.10 177.13 3kt2 s THR 4 N 1.62 2.12 -0.14 3.92 -4.23 -1.26 -0.41 115.64 117.27 3kt2 s THR 4 Ca 0.01 -0.27 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 3kt2 s THR 4 Cb -0.13 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.16 3kt2 s THR 4 CO -0.04 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.37 3kt2 n LEU 5 N -3.22 2.28 0.28 4.79 4.77 -1.26 -4.60 117.00 120.05 3kt2 n LEU 5 Ca 0.13 -3.12 0.17 0.00 -0.03 0.00 0.00 56.01 53.16 3kt2 n LEU 5 Cb 0.60 -0.42 0.76 0.00 -2.33 0.00 0.00 43.42 42.03 3kt2 n LEU 5 CO 0.47 0.81 1.00 -0.50 -1.33 0.00 0.00 177.39 177.84 3kt2 h TRP 6 N 0.18 0.00 -3.16 -1.77 4.06 -1.94 -3.43 115.95 109.88 3kt2 h TRP 6 Ca -0.00 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.56 3kt2 h TRP 6 Cb 1.03 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 3kt2 h TRP 6 CO 0.14 0.04 -0.71 1.14 -3.56 0.00 0.00 178.44 175.49 3kt2 s GLN 7 N -3.82 1.23 0.23 0.49 -2.07 -1.26 -5.10 119.66 109.36 3kt2 s GLN 7 Ca -0.01 -1.56 -0.32 0.00 -1.82 0.00 0.00 55.36 51.66 3kt2 s GLN 7 Cb 0.10 -0.81 -0.13 0.00 -1.09 0.00 0.00 33.01 31.09 3kt2 s GLN 7 CO 0.54 0.08 1.55 0.54 -1.32 0.00 0.00 175.29 176.67 3kt2 n ARG 8 N -0.32 2.36 -2.52 9.60 1.74 -1.26 -4.86 116.66 121.39 3kt2 n ARG 8 Ca -0.08 0.84 -0.41 0.00 -0.77 0.00 0.00 57.85 57.43 3kt2 n ARG 8 Cb 0.61 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 3kt2 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kt2 s PRO 9 N 0.11 3.69 0.19 5.56 0.04 -1.26 -4.97 135.00 138.35 3kt2 s PRO 9 Ca 0.71 -1.51 -0.06 0.00 0.04 0.00 0.00 61.00 60.17 3kt2 s PRO 9 Cb -0.59 -5.43 -0.06 0.00 0.04 0.00 0.00 34.50 28.46 3kt2 s PRO 9 CO 0.44 -2.37 0.45 -0.51 0.04 0.00 0.00 177.00 175.05 3kt2 s LEU 10 N 5.12 4.21 0.05 -3.56 1.43 -1.26 -1.17 118.68 123.50 3kt2 s LEU 10 Ca 0.52 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3kt2 s LEU 10 Cb 0.02 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 3kt2 s LEU 10 CO 0.00 -0.02 0.02 0.68 0.23 0.00 0.00 176.35 177.27 3kt2 s VAL 11 N -1.76 0.18 -0.03 -1.59 -7.23 0.18 -4.94 120.40 105.21 3kt2 s VAL 11 Ca 0.43 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.93 3kt2 s VAL 11 Cb -0.12 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 3kt2 s VAL 11 CO 0.24 -0.82 0.53 -0.89 -0.31 0.00 0.00 175.10 173.85 3kt2 s THR 12 N -3.38 4.99 0.17 5.32 2.01 -1.26 -0.85 115.64 122.64 3kt2 s THR 12 Ca 0.02 1.10 0.08 0.00 0.31 0.00 0.00 61.69 63.20 3kt2 s THR 12 Cb 0.04 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3kt2 s THR 12 CO -0.08 0.43 -0.18 0.27 -0.69 0.00 0.00 174.62 174.37 3kt2 s ILE 13 N -0.18 1.81 -0.15 1.82 -4.36 0.11 -1.79 121.20 118.47 3kt2 s ILE 13 Ca 0.28 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 3kt2 s ILE 13 Cb -0.17 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.70 3kt2 s ILE 13 CO 0.15 -0.34 -0.19 -0.75 0.24 0.00 0.00 174.94 174.05 3kt2 s LYS 14 N -2.86 2.78 -0.10 0.37 2.20 0.21 -1.28 119.74 121.07 3kt2 s LYS 14 Ca 0.16 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.94 3kt2 s LYS 14 Cb -0.05 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 3kt2 s LYS 14 CO 0.07 -0.12 0.25 -1.50 -0.36 0.00 0.00 175.35 173.68 3kt2 s ILE 15 N 1.10 -0.01 -1.55 5.43 2.07 -0.42 -1.25 121.20 126.57 3kt2 s ILE 15 Ca -0.01 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3kt2 s ILE 15 Cb -0.14 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.09 3kt2 s ILE 15 CO -0.07 0.02 0.12 0.61 -1.91 0.00 0.00 174.94 173.71 3kt2 n GLY 16 N 3.42 -0.50 2.42 1.50 0.00 -1.26 -1.27 105.19 109.49 3kt2 n GLY 16 Ca -0.17 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3kt2 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt2 n GLY 17 N -1.06 0.57 3.42 -0.02 0.00 -1.26 -4.98 105.19 101.87 3kt2 n GLY 17 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 3kt2 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt2 s GLN 18 N -0.20 1.52 -0.14 1.61 -0.21 -0.40 -5.13 119.66 116.70 3kt2 s GLN 18 Ca 0.00 -1.47 -0.06 0.00 0.02 0.00 0.00 55.36 53.85 3kt2 s GLN 18 Cb 0.00 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 3kt2 s GLN 18 CO 0.00 0.41 0.09 -0.51 -2.12 0.00 0.00 175.29 173.16 3kt2 s LEU 19 N -2.52 4.02 0.07 2.90 1.43 -1.26 -1.30 118.68 122.02 3kt2 s LEU 19 Ca 0.19 0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3kt2 s LEU 19 Cb -0.08 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3kt2 s LEU 19 CO 0.09 0.30 0.18 -0.54 0.23 0.00 0.00 176.35 176.61 3kt2 s LYS 20 N -0.37 0.80 -0.11 1.70 1.02 -0.40 -4.99 119.74 117.38 3kt2 s LYS 20 Ca 0.10 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.15 3kt2 s LYS 20 Cb -0.12 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 3kt2 s LYS 20 CO 0.02 -0.24 0.07 -1.21 -0.92 0.00 0.00 175.35 173.06 3kt2 s GLU 21 N -3.55 3.29 0.04 1.68 2.02 -1.26 0.08 118.70 121.00 3kt2 s GLU 21 Ca 0.03 -0.28 -0.03 0.00 0.02 0.00 0.00 54.97 54.71 3kt2 s GLU 21 Cb 0.04 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 3kt2 s GLU 21 CO -0.09 0.70 0.04 0.00 0.02 0.00 0.00 175.26 175.93 3kt2 s ALA 22 N -0.83 0.11 -0.24 5.21 0.00 -0.03 -4.57 121.76 121.43 3kt2 s ALA 22 Ca 0.13 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 3kt2 s ALA 22 Cb -0.12 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3kt2 s ALA 22 CO 0.03 -0.31 0.38 -1.17 0.00 0.00 0.00 175.76 174.69 3kt2 s LEU 23 N -2.25 4.09 -0.31 0.00 2.96 0.40 -0.65 118.68 122.93 3kt2 s LEU 23 Ca -0.03 0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 3kt2 s LEU 23 Cb -0.00 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3kt2 s LEU 23 CO -0.06 -0.13 1.69 -0.76 -1.32 0.00 0.00 176.35 175.78 3kt2 s LEU 24 N 1.70 3.63 -0.41 -0.68 1.43 -0.32 -0.26 118.68 123.77 3kt2 s LEU 24 Ca 0.17 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 3kt2 s LEU 24 Cb -0.15 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.66 3kt2 s LEU 24 CO 0.09 -1.53 0.18 -0.62 0.23 0.00 0.00 176.35 174.69 3kt2 s ASP 25 N 5.23 4.11 0.32 2.29 -1.08 -0.18 -4.08 116.67 123.28 3kt2 s ASP 25 Ca 0.75 -2.44 0.25 0.00 -0.52 0.00 0.00 52.55 50.58 3kt2 s ASP 25 Cb -0.22 -1.27 1.13 0.00 -1.46 0.00 0.00 42.92 41.10 3kt2 s ASP 25 CO 0.32 -0.31 1.74 0.71 0.52 0.00 0.00 175.17 178.16 3kt2 h THR 26 N 5.82 0.00 -0.05 1.71 1.35 -1.83 -1.96 112.91 117.94 3kt2 h THR 26 Ca -0.06 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3kt2 h THR 26 Cb 0.95 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3kt2 h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3kt2 n GLY 27 N -0.47 -0.08 3.44 5.82 0.00 -1.26 -4.65 105.19 108.00 3kt2 n GLY 27 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 3kt2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt2 s ALA 28 N -1.94 2.99 0.15 4.61 0.00 -0.74 -4.98 121.76 121.85 3kt2 s ALA 28 Ca 0.37 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 3kt2 s ALA 28 Cb 0.20 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 3kt2 s ALA 28 CO 0.31 -0.08 1.54 -0.44 0.00 0.00 0.00 175.76 177.09 3kt2 h ASP 29 N 7.34 0.93 -3.19 0.00 3.32 -1.87 0.17 116.42 123.12 3kt2 h ASP 29 Ca -0.35 -0.39 -0.64 0.00 0.02 0.00 0.00 57.03 55.67 3kt2 h ASP 29 Cb 1.18 -0.26 -0.18 0.00 0.22 0.00 0.00 39.33 40.29 3kt2 h ASP 29 CO 0.61 1.11 -0.82 -1.81 -1.72 0.00 0.00 179.24 176.61 3kt2 s ASP 30 N -6.60 3.36 -0.07 6.45 1.01 -1.26 -2.65 116.67 116.92 3kt2 s ASP 30 Ca -0.12 -0.87 -0.23 0.00 0.71 0.00 0.00 52.55 52.04 3kt2 s ASP 30 Cb 0.11 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 3kt2 s ASP 30 CO 0.85 0.10 0.69 -0.89 0.21 0.00 0.00 175.17 176.13 3kt2 s THR 31 N -1.74 5.05 -0.05 -1.27 2.01 -1.26 -3.79 115.64 114.59 3kt2 s THR 31 Ca 0.21 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.62 3kt2 s THR 31 Cb -0.08 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.43 3kt2 s THR 31 CO 0.10 0.26 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.58 3kt2 s VAL 32 N 0.74 0.43 0.11 3.82 1.01 -0.39 -1.66 120.40 124.46 3kt2 s VAL 32 Ca 0.37 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.43 3kt2 s VAL 32 Cb -0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3kt2 s VAL 32 CO 0.18 0.23 -0.19 -0.76 0.00 0.00 0.00 175.10 174.56 3kt2 s LEU 33 N 1.34 2.65 0.96 3.92 1.43 0.76 -0.43 118.68 129.31 3kt2 s LEU 33 Ca -0.05 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3kt2 s LEU 33 Cb -0.13 -1.51 0.14 0.00 0.03 0.00 0.00 46.19 44.71 3kt2 s LEU 33 CO -0.02 0.19 0.92 -0.62 0.23 0.00 0.00 176.35 177.05 3kt2 n GLU 34 N 0.92 -0.67 -1.58 1.70 1.02 -1.26 -1.22 120.64 119.55 3kt2 n GLU 34 Ca -0.16 -0.14 -0.51 0.00 -0.02 0.00 0.00 57.16 56.33 3kt2 n GLU 34 Cb 0.53 -2.21 -0.05 0.00 -0.02 0.00 0.00 31.44 29.68 3kt2 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kt2 n GLU 35 N -3.66 1.13 -3.58 3.49 4.07 -1.21 -4.50 120.64 116.38 3kt2 n GLU 35 Ca 0.09 0.41 -0.10 0.00 -0.06 0.00 0.00 57.16 57.50 3kt2 n GLU 35 Cb 0.53 -2.00 -0.02 0.00 -0.06 0.00 0.00 31.44 29.89 3kt2 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kt2 s MET 36 N 0.21 1.43 -0.24 5.31 0.23 -1.26 -5.02 119.30 119.96 3kt2 s MET 36 Ca 0.81 -0.64 -0.23 0.00 -1.03 0.00 0.00 55.69 54.60 3kt2 s MET 36 Cb -0.93 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 32.94 3kt2 s MET 36 CO 0.49 -0.64 0.75 0.45 -2.03 0.00 0.00 175.02 174.04 3kt2 s SER 37 N -2.80 6.74 0.11 -1.18 0.15 -1.26 -5.05 113.70 110.41 3kt2 s SER 37 Ca 0.05 0.92 0.07 0.00 0.70 0.00 0.00 55.95 57.69 3kt2 s SER 37 Cb -0.03 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 3kt2 s SER 37 CO -0.06 -0.45 -0.18 -0.76 1.20 0.00 0.00 173.24 172.99 3kt2 s LEU 38 N 2.67 2.33 0.14 3.45 1.43 -1.26 -4.88 118.68 122.56 3kt2 s LEU 38 Ca 0.32 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3kt2 s LEU 38 Cb -0.15 -0.74 -0.07 0.00 0.03 0.00 0.00 46.19 45.25 3kt2 s LEU 38 CO 0.08 -0.02 1.19 -2.84 0.23 0.00 0.00 176.35 174.99 3kt2 s PRO 39 N -2.14 4.48 0.00 1.29 0.02 -1.26 -4.97 135.00 132.42 3kt2 s PRO 39 Ca 0.07 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3kt2 s PRO 39 Cb -0.08 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3kt2 s PRO 39 CO 0.04 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 3kt2 n GLY 40 N 2.58 -1.48 3.83 0.52 0.00 -1.26 -5.00 105.19 104.37 3kt2 n GLY 40 Ca 0.06 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 3kt2 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt2 s ARG 41 N 0.00 4.12 0.21 1.61 3.52 -1.26 -5.08 118.95 122.07 3kt2 s ARG 41 Ca 0.00 1.03 -0.04 0.00 -0.13 0.00 0.00 55.73 56.59 3kt2 s ARG 41 Cb 0.00 -2.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.18 3kt2 s ARG 41 CO 0.00 -0.09 0.22 1.67 -0.81 0.00 0.00 175.30 176.28 3kt2 s TRP 42 N -2.31 0.91 -0.03 5.12 1.48 -1.26 -4.63 118.94 118.22 3kt2 s TRP 42 Ca 0.60 -1.18 0.05 0.00 -1.06 0.00 0.00 56.10 54.51 3kt2 s TRP 42 Cb -0.09 -0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 31.86 3kt2 s TRP 42 CO 0.19 -0.72 -0.18 0.15 -4.06 0.00 0.00 176.95 172.33 3kt2 s LYS 43 N -4.11 1.66 0.43 3.25 1.02 -0.55 -4.91 119.74 116.54 3kt2 s LYS 43 Ca 0.33 -0.63 -0.24 0.00 0.02 0.00 0.00 55.97 55.45 3kt2 s LYS 43 Cb 0.05 -1.50 -0.08 0.00 -0.52 0.00 0.00 37.83 35.78 3kt2 s LYS 43 CO 0.10 0.30 1.23 -1.25 -0.92 0.00 0.00 175.35 174.81 3kt2 s PRO 44 N -0.15 3.84 -0.10 -1.68 0.04 -1.26 -0.17 135.00 135.52 3kt2 s PRO 44 Ca 0.01 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 3kt2 s PRO 44 Cb -0.10 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 31.91 3kt2 s PRO 44 CO 0.01 -0.53 0.50 0.21 0.04 0.00 0.00 177.00 177.23 3kt2 s LYS 45 N -2.46 0.75 -0.12 4.56 2.20 -0.00 -4.86 119.74 119.81 3kt2 s LYS 45 Ca 0.60 0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 56.54 3kt2 s LYS 45 Cb -0.33 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 3kt2 s LYS 45 CO 0.42 -0.17 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.49 3kt2 s MET 46 N -0.59 3.24 0.10 4.03 -1.94 -1.26 0.63 119.30 123.50 3kt2 s MET 46 Ca -0.07 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 3kt2 s MET 46 Cb -0.03 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 3kt2 s MET 46 CO 0.04 0.34 -0.20 0.96 -0.01 0.00 0.00 175.02 176.15 3kt2 s ILE 47 N 0.04 1.63 0.32 2.53 -4.36 -0.50 -4.97 121.20 115.89 3kt2 s ILE 47 Ca -0.03 -1.50 0.08 0.00 -0.26 0.00 0.00 60.65 58.94 3kt2 s ILE 47 Cb -0.14 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 3kt2 s ILE 47 CO 0.04 -0.07 0.14 -0.83 0.24 0.00 0.00 174.94 174.46 3kt2 s GLY 48 N -1.86 1.85 0.00 6.27 0.00 -1.26 -0.92 107.32 111.40 3kt2 s GLY 48 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3kt2 s GLY 48 CO 0.04 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.04 3kt2 n GLY 49 N -1.14 1.00 3.71 0.20 0.00 0.15 -4.96 105.19 104.14 3kt2 n GLY 49 Ca -0.04 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3kt2 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kt2 n ILE 50 N 0.00 0.03 0.00 -0.61 5.41 -1.26 -1.84 119.36 121.09 3kt2 n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3kt2 n ILE 50 Cb 0.00 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 36.97 3kt2 n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kt2 n GLY 51 N 3.95 2.14 0.00 7.39 0.00 -1.26 -1.70 105.19 115.70 3kt2 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3kt2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt2 n GLY 52 N -2.00 0.22 3.54 -0.02 0.00 -0.77 -4.06 105.19 102.10 3kt2 n GLY 52 Ca 0.00 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 3kt2 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kt2 s PHE 53 N -0.28 2.54 0.08 1.61 -0.12 -1.26 -0.67 117.98 119.88 3kt2 s PHE 53 Ca 0.00 -0.26 0.04 0.00 -0.05 0.00 0.00 56.93 56.67 3kt2 s PHE 53 Cb 0.00 -1.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.13 3kt2 s PHE 53 CO 0.00 0.54 -0.12 0.96 -0.05 0.00 0.00 175.22 176.54 3kt2 s ILE 54 N -1.81 1.03 -0.04 -4.49 -4.36 -0.10 -4.77 121.20 106.66 3kt2 s ILE 54 Ca 0.25 -1.45 -0.20 0.00 -0.26 0.00 0.00 60.65 58.99 3kt2 s ILE 54 Cb -0.08 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.40 3kt2 s ILE 54 CO 0.14 -0.38 0.55 -0.54 0.24 0.00 0.00 174.94 174.96 3kt2 s LYS 55 N -2.20 4.30 0.15 0.37 1.02 -1.26 -1.41 119.74 120.70 3kt2 s LYS 55 Ca 0.01 0.63 0.05 0.00 0.02 0.00 0.00 55.97 56.69 3kt2 s LYS 55 Cb -0.07 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 3kt2 s LYS 55 CO 0.01 0.30 -0.12 0.14 -0.92 0.00 0.00 175.35 174.77 3kt2 s VAL 56 N 0.07 1.30 -0.16 3.17 -7.23 0.20 -4.41 120.40 113.36 3kt2 s VAL 56 Ca 0.29 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 3kt2 s VAL 56 Cb -0.17 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3kt2 s VAL 56 CO 0.15 -0.62 0.39 -0.13 -0.31 0.00 0.00 175.10 174.58 3kt2 s ARG 57 N -3.37 4.27 -0.30 4.82 0.52 0.09 -0.82 118.95 124.15 3kt2 s ARG 57 Ca 0.15 0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.46 3kt2 s ARG 57 Cb -0.00 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 3kt2 s ARG 57 CO 0.02 0.14 0.36 -1.14 0.02 0.00 0.00 175.30 174.70 3kt2 s GLN 58 N 0.74 3.83 -0.15 3.54 0.74 0.77 -1.12 119.66 128.00 3kt2 s GLN 58 Ca 0.21 -0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.40 3kt2 s GLN 58 Cb -0.14 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 3kt2 s GLN 58 CO 0.07 -0.37 0.04 0.71 -0.55 0.00 0.00 175.29 175.18 3kt2 s TYR 59 N 2.04 3.22 0.22 1.67 1.51 -0.30 -1.48 117.35 124.22 3kt2 s TYR 59 Ca 0.13 0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.31 3kt2 s TYR 59 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 3kt2 s TYR 59 CO 0.11 0.24 0.23 -0.51 -1.11 0.00 0.00 175.55 174.50 3kt2 s ASP 60 N -0.03 5.78 -1.47 2.29 1.01 -1.26 -0.38 116.67 122.62 3kt2 s ASP 60 Ca 0.05 -0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.10 3kt2 s ASP 60 Cb -0.12 -1.57 0.06 0.00 1.01 0.00 0.00 42.92 42.30 3kt2 s ASP 60 CO 0.01 -0.01 0.97 0.00 0.21 0.00 0.00 175.17 176.36 3kt2 n GLN 61 N -0.95 -5.82 -3.37 8.23 6.02 -1.11 -4.91 117.38 115.46 3kt2 n GLN 61 Ca -0.08 0.64 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 3kt2 n GLN 61 Cb 0.56 -5.50 -0.06 0.00 1.02 0.00 0.00 30.24 26.26 3kt2 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kt2 s ILE 62 N -3.37 5.22 0.02 5.09 -1.09 -0.24 -4.82 121.20 122.01 3kt2 s ILE 62 Ca 0.53 0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 59.49 3kt2 s ILE 62 Cb -0.26 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3kt2 s ILE 62 CO 0.81 0.34 1.07 -0.22 -1.23 0.00 0.00 174.94 175.71 3kt2 s LEU 63 N 0.60 4.37 -0.04 2.97 2.96 -1.26 -2.40 118.68 125.88 3kt2 s LEU 63 Ca 0.23 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.97 3kt2 s LEU 63 Cb -0.14 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.98 3kt2 s LEU 63 CO 0.08 -0.35 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.16 3kt2 s ILE 64 N 1.08 0.83 -0.28 6.68 2.07 0.62 -4.31 121.20 127.89 3kt2 s ILE 64 Ca 0.55 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 59.38 3kt2 s ILE 64 Cb -0.24 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.60 3kt2 s ILE 64 CO 0.28 0.27 0.04 -1.61 -1.91 0.00 0.00 174.94 172.01 3kt2 s GLU 65 N 0.41 3.00 -0.25 3.50 2.02 -0.38 -0.28 118.70 126.71 3kt2 s GLU 65 Ca -0.07 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 3kt2 s GLU 65 Cb -0.11 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 30.90 3kt2 s GLU 65 CO 0.01 -0.44 -0.07 0.42 0.02 0.00 0.00 175.26 175.20 3kt2 s ILE 66 N 1.44 2.69 0.00 -1.63 1.01 0.12 -0.62 121.20 124.22 3kt2 s ILE 66 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3kt2 s ILE 66 Cb -0.17 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3kt2 s ILE 66 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.07 3kt2 n GLY 68 N 0.00 -0.71 3.49 0.00 0.00 -1.26 -4.92 105.19 101.79 3kt2 n GLY 68 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3kt2 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kt2 s HIS 69 N -1.96 2.72 0.14 1.61 3.76 -0.89 -5.11 115.29 115.55 3kt2 s HIS 69 Ca 0.32 -0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 55.04 3kt2 s HIS 69 Cb 0.15 -1.63 -0.06 0.00 1.11 0.00 0.00 32.58 32.16 3kt2 s HIS 69 CO 0.25 0.20 0.37 0.15 -0.85 0.00 0.00 174.74 174.87 3kt2 s LYS 70 N -0.78 3.62 0.02 1.40 1.02 -1.26 0.13 119.74 123.89 3kt2 s LYS 70 Ca 0.12 -0.09 -0.19 0.00 0.02 0.00 0.00 55.97 55.83 3kt2 s LYS 70 Cb -0.11 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3kt2 s LYS 70 CO 0.01 0.47 0.43 0.00 -0.92 0.00 0.00 175.35 175.34 3kt2 s ALA 71 N -1.66 -1.07 -0.06 5.17 0.00 0.61 -4.86 121.76 119.90 3kt2 s ALA 71 Ca 0.41 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3kt2 s ALA 71 Cb -0.12 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3kt2 s ALA 71 CO 0.25 -0.42 -0.14 0.42 0.00 0.00 0.00 175.76 175.87 3kt2 s ILE 72 N -2.14 1.25 0.00 0.00 1.01 -1.26 -0.28 121.20 119.78 3kt2 s ILE 72 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3kt2 s ILE 72 Cb -0.02 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3kt2 s ILE 72 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3kt2 n GLY 73 N 3.66 1.22 3.77 6.18 0.00 -1.01 -4.92 105.19 114.10 3kt2 n GLY 73 Ca -0.22 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 3kt2 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kt2 s THR 74 N -2.40 4.43 -0.06 2.61 2.01 -1.26 -1.08 115.64 119.90 3kt2 s THR 74 Ca 0.00 1.68 0.02 0.00 0.31 0.00 0.00 61.69 63.70 3kt2 s THR 74 Cb 0.00 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.39 3kt2 s THR 74 CO 0.00 0.50 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 3kt2 s VAL 75 N -0.99 1.10 -0.10 3.82 1.01 0.49 -4.62 120.40 121.11 3kt2 s VAL 75 Ca 0.36 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 3kt2 s VAL 75 Cb -0.23 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3kt2 s VAL 75 CO 0.26 0.34 0.19 -0.76 0.00 0.00 0.00 175.10 175.12 3kt2 s LEU 76 N 0.59 4.40 -0.07 3.92 1.43 -0.67 -1.15 118.68 127.14 3kt2 s LEU 76 Ca -0.13 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 3kt2 s LEU 76 Cb -0.15 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3kt2 s LEU 76 CO 0.03 0.39 -0.14 -0.69 0.23 0.00 0.00 176.35 176.18 3kt2 s VAL 77 N -1.05 1.25 -1.39 -1.59 1.01 -0.28 -0.17 120.40 118.18 3kt2 s VAL 77 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3kt2 s VAL 77 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3kt2 s VAL 77 CO 0.06 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3kt2 n GLY 78 N 3.78 -1.00 2.17 4.51 0.00 -0.35 -0.73 105.19 113.56 3kt2 n GLY 78 Ca -0.22 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3kt2 n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kt2 n PRO 79 N 0.00 1.77 -3.09 1.61 -0.02 -1.26 -3.34 135.00 130.66 3kt2 n PRO 79 Ca 0.00 -0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 60.15 3kt2 n PRO 79 Cb 0.00 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3kt2 n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3kt2 s THR 80 N 1.68 4.52 -0.28 3.45 -1.32 -1.26 -4.90 115.64 117.53 3kt2 s THR 80 Ca 0.52 1.46 0.27 0.00 -1.21 0.00 0.00 61.69 62.73 3kt2 s THR 80 Cb 0.23 -4.00 0.31 0.00 -1.51 0.00 0.00 72.50 67.53 3kt2 s THR 80 CO -0.01 0.44 1.81 -0.65 -2.21 0.00 0.00 174.62 174.00 3kt2 h PRO 81 N 4.10 0.00 -3.24 7.08 0.11 -1.86 -3.42 132.00 134.78 3kt2 h PRO 81 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 3kt2 h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.07 3kt2 h PRO 81 CO 0.65 0.00 -0.46 0.54 -0.21 0.00 0.00 178.00 178.53 3kt2 s VAL 82 N -3.43 0.02 0.02 3.15 0.11 -1.26 -5.06 120.40 113.95 3kt2 s VAL 82 Ca 0.04 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 3kt2 s VAL 82 Cb 0.09 -0.35 -0.07 0.00 -1.53 0.00 0.00 36.38 34.53 3kt2 s VAL 82 CO 0.47 -0.08 1.53 0.20 -3.33 0.00 0.00 175.10 173.89 3kt2 s ASN 83 N -0.22 6.73 -0.12 3.54 0.01 -1.26 -4.67 114.94 118.94 3kt2 s ASN 83 Ca -0.03 2.27 0.03 0.00 -0.71 0.00 0.00 52.86 54.41 3kt2 s ASN 83 Cb -0.03 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 3kt2 s ASN 83 CO 0.01 -0.82 -0.21 -0.63 -1.51 0.00 0.00 177.10 173.94 3kt2 s ILE 84 N 2.75 2.30 -0.33 0.60 -1.09 0.43 -0.45 121.20 125.41 3kt2 s ILE 84 Ca 0.69 -0.92 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 3kt2 s ILE 84 Cb -0.35 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 38.59 3kt2 s ILE 84 CO 0.29 0.55 0.23 -0.63 -1.23 0.00 0.00 174.94 174.15 3kt2 s ILE 85 N 0.49 5.29 0.49 2.92 -1.09 0.64 -1.26 121.20 128.69 3kt2 s ILE 85 Ca -0.14 -0.13 0.07 0.00 -2.23 0.00 0.00 60.65 58.23 3kt2 s ILE 85 Cb -0.17 -3.68 0.08 0.00 -1.58 0.00 0.00 42.46 37.12 3kt2 s ILE 85 CO 0.05 0.04 0.68 0.61 -1.23 0.00 0.00 174.94 175.10 3kt2 n GLY 86 N 5.09 1.79 0.26 6.18 0.00 -1.25 -1.01 105.19 116.26 3kt2 n GLY 86 Ca -0.13 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.82 3kt2 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kt2 h ARG 87 N 0.00 0.00 -0.66 1.61 3.08 -0.62 -1.37 114.38 116.42 3kt2 h ARG 87 Ca -0.23 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.98 3kt2 h ARG 87 Cb 1.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 3kt2 h ARG 87 CO 0.31 0.09 0.46 0.38 -1.07 0.00 0.00 179.97 180.14 3kt2 h ASP 88 N 0.00 0.17 0.00 7.04 2.03 -1.76 -1.52 116.42 122.38 3kt2 h ASP 88 Ca -0.00 0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 56.16 3kt2 h ASP 88 Cb 0.21 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 38.66 3kt2 h ASP 88 CO 0.01 0.09 -1.77 0.18 -1.03 0.00 0.00 179.24 176.72 3kt2 n LEU 89 N -4.41 0.00 -0.32 0.15 4.77 -0.63 -4.36 117.00 112.20 3kt2 n LEU 89 Ca 0.13 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3kt2 n LEU 89 Cb 0.60 0.20 0.17 0.00 -2.33 0.00 0.00 43.42 42.07 3kt2 n LEU 89 CO 0.35 0.20 1.27 -0.07 -1.33 0.00 0.00 177.39 177.82 3kt2 h LEU 90 N 0.00 1.03 -1.31 2.23 3.38 -0.98 -2.18 115.31 117.48 3kt2 h LEU 90 Ca -0.22 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3kt2 h LEU 90 Cb 1.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3kt2 h LEU 90 CO 0.01 0.73 -0.20 0.71 0.09 0.00 0.00 178.44 179.78 3kt2 h THR 91 N 1.20 1.21 0.00 0.22 1.35 -1.50 -1.85 112.91 113.54 3kt2 h THR 91 Ca 0.35 -0.95 -0.09 0.00 -0.55 0.00 0.00 66.41 65.17 3kt2 h THR 91 Cb -0.07 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3kt2 h THR 91 CO -0.09 0.29 -0.40 1.56 -0.25 0.00 0.00 175.52 176.63 3kt2 h GLN 92 N 0.19 0.00 -0.61 4.72 1.08 -1.59 -2.79 115.11 116.11 3kt2 h GLN 92 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3kt2 h GLN 92 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3kt2 h GLN 92 CO 0.03 0.40 0.00 0.44 -0.95 0.00 0.00 178.83 178.76 3kt2 n ILE 93 N -3.70 1.85 -2.62 2.54 -5.35 -0.99 -4.96 119.36 106.13 3kt2 n ILE 93 Ca -0.01 -1.24 -0.15 0.00 -0.27 0.00 0.00 62.75 61.08 3kt2 n ILE 93 Cb 0.49 0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.52 3kt2 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kt2 n GLY 94 N 0.98 -0.19 3.74 3.28 0.00 -1.05 -4.82 105.19 107.12 3kt2 n GLY 94 Ca 0.25 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3kt2 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kt2 s MET 95 N -5.14 4.55 0.16 1.61 1.75 -0.73 -4.49 119.30 117.01 3kt2 s MET 95 Ca 0.14 1.81 0.06 0.00 -1.25 0.00 0.00 55.69 56.45 3kt2 s MET 95 Cb -0.06 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.32 3kt2 s MET 95 CO 0.17 0.01 -0.13 0.95 -0.65 0.00 0.00 175.02 175.38 3kt2 s THR 96 N -0.31 1.41 -0.18 10.11 -4.23 0.31 -4.23 115.64 118.52 3kt2 s THR 96 Ca 0.50 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 3kt2 s THR 96 Cb -0.31 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 3kt2 s THR 96 CO 0.37 -0.60 0.03 -0.76 -0.54 0.00 0.00 174.62 173.12 3kt2 s LEU 97 N -3.02 3.57 -0.08 4.79 1.43 0.80 -0.77 118.68 125.39 3kt2 s LEU 97 Ca 0.16 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3kt2 s LEU 97 Cb -0.01 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3kt2 s LEU 97 CO 0.03 0.14 -0.18 0.20 0.23 0.00 0.00 176.35 176.77 3kt2 s ASN 98 N 0.57 2.48 0.00 2.29 -0.87 0.25 -0.34 114.94 119.32 3kt2 s ASN 98 Ca 0.01 -0.44 0.00 0.00 -1.57 0.00 0.00 52.86 50.86 3kt2 s ASN 98 Cb -0.13 -1.14 0.00 0.00 -0.02 0.00 0.00 41.25 39.96 3kt2 s ASN 98 CO 0.02 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.87 3kt2 n PHE 99 N 3.66 0.00 -1.30 2.20 1.16 -1.26 -0.12 117.46 121.80 3kt2 n PHE 99 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.37 3kt2 n PHE 99 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 3kt2 n PHE 99 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 3kt2 n PRO 1001N 0.00 -1.37 -4.17 3.97 -0.04 -1.26 -5.01 135.00 127.12 3kt2 n PRO 1001Ca 0.00 1.01 -0.31 0.00 -0.04 0.00 0.00 63.50 64.16 3kt2 n PRO 1001Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 3kt2 n PRO 1001CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3kt2 s GLN 1002N -2.69 2.77 -0.05 0.54 0.74 -1.26 -5.00 119.66 114.71 3kt2 s GLN 1002Ca 0.00 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 3kt2 s GLN 1002Cb 0.00 -2.67 0.03 0.00 1.10 0.00 0.00 33.01 31.47 3kt2 s GLN 1002CO 0.00 0.59 0.02 0.08 -0.55 0.00 0.00 175.29 175.43 3kt2 s VAL 1003N -1.23 0.16 0.85 1.34 1.01 0.53 -4.98 120.40 118.09 3kt2 s VAL 1003Ca 0.24 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 3kt2 s VAL 1003Cb -0.12 -0.35 0.13 0.00 0.00 0.00 0.00 36.38 36.04 3kt2 s VAL 1003CO 0.16 0.21 1.20 0.42 0.00 0.00 0.00 175.10 177.09 3kt2 s THR 1004N 1.93 2.04 -0.14 3.92 -4.23 -1.26 -0.14 115.64 117.75 3kt2 s THR 1004Ca 0.03 -0.07 0.17 0.00 -1.18 0.00 0.00 61.69 60.64 3kt2 s THR 1004Cb -0.12 -2.97 0.31 0.00 1.34 0.00 0.00 72.50 71.06 3kt2 s THR 1004CO -0.04 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.38 3kt2 n LEU 1005N -3.42 2.36 0.23 4.79 4.77 -1.26 -4.60 117.00 119.87 3kt2 n LEU 1005Ca 0.11 -3.22 0.16 0.00 -0.03 0.00 0.00 56.01 53.03 3kt2 n LEU 1005Cb 0.60 -0.44 0.64 0.00 -2.33 0.00 0.00 43.42 41.89 3kt2 n LEU 1005CO 0.51 0.86 0.95 -0.50 -1.33 0.00 0.00 177.39 177.88 3kt2 h TRP 1006N 0.25 0.00 -3.36 -1.77 4.06 -1.94 -3.43 115.95 109.76 3kt2 h TRP 1006Ca -0.00 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.57 3kt2 h TRP 1006Cb 1.02 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 3kt2 h TRP 1006CO 0.19 0.00 -0.66 1.14 -3.56 0.00 0.00 178.44 175.55 3kt2 s GLN 1007N -3.56 1.33 0.25 0.49 -2.07 -1.26 -5.10 119.66 109.74 3kt2 s GLN 1007Ca 0.02 -1.67 -0.31 0.00 -1.82 0.00 0.00 55.36 51.58 3kt2 s GLN 1007Cb 0.09 -0.58 -0.12 0.00 -1.09 0.00 0.00 33.01 31.31 3kt2 s GLN 1007CO 0.48 -0.11 1.65 1.03 -1.32 0.00 0.00 175.29 177.02 3kt2 s ARG 1008N -3.87 4.12 -1.13 9.60 0.52 -1.26 -4.88 118.95 122.04 3kt2 s ARG 1008Ca 0.29 2.59 -0.21 0.00 -0.52 0.00 0.00 55.73 57.88 3kt2 s ARG 1008Cb 0.06 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.53 3kt2 s ARG 1008CO 0.09 -0.69 1.61 -1.25 0.02 0.00 0.00 175.30 175.07 3kt2 s PRO 1009N 0.27 3.65 0.11 3.54 0.04 -1.26 -4.98 135.00 136.37 3kt2 s PRO 1009Ca 0.69 -1.43 -0.06 0.00 0.04 0.00 0.00 61.00 60.24 3kt2 s PRO 1009Cb -0.49 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 28.59 3kt2 s PRO 1009CO 0.41 -2.36 0.36 -0.51 0.04 0.00 0.00 177.00 174.94 3kt2 s LEU 1010N 5.19 4.30 0.07 -3.56 1.43 -1.26 -0.95 118.68 123.90 3kt2 s LEU 1010Ca 0.51 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 3kt2 s LEU 1010Cb 0.01 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3kt2 s LEU 1010CO -0.02 0.11 -0.05 0.68 0.23 0.00 0.00 176.35 177.31 3kt2 s VAL 1011N -1.54 0.47 -0.09 -1.59 -7.23 0.27 -4.95 120.40 105.75 3kt2 s VAL 1011Ca 0.37 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.60 3kt2 s VAL 1011Cb -0.13 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 3kt2 s VAL 1011CO 0.22 -0.87 0.40 0.42 -0.31 0.00 0.00 175.10 174.96 3kt2 s THR 1012N -3.49 5.18 0.20 5.32 -4.23 -1.26 -0.73 115.64 116.62 3kt2 s THR 1012Ca 0.07 0.80 0.10 0.00 -1.18 0.00 0.00 61.69 61.48 3kt2 s THR 1012Cb 0.05 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 3kt2 s THR 1012CO -0.06 0.42 -0.19 0.27 -0.54 0.00 0.00 174.62 174.51 3kt2 s ILE 1013N 0.06 2.06 -0.13 2.99 -4.36 0.35 -1.65 121.20 120.52 3kt2 s ILE 1013Ca 0.23 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3kt2 s ILE 1013Cb -0.15 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.55 3kt2 s ILE 1013CO 0.09 -0.32 -0.17 -0.75 0.24 0.00 0.00 174.94 174.03 3kt2 s LYS 1014N -3.02 2.48 -0.08 0.37 2.20 0.27 -1.54 119.74 120.42 3kt2 s LYS 1014Ca 0.20 -0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 55.09 3kt2 s LYS 1014Cb -0.05 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.18 3kt2 s LYS 1014CO 0.09 -0.10 0.21 -1.50 -0.36 0.00 0.00 175.35 173.70 3kt2 s ILE 1015N 1.07 0.00 -1.60 5.43 2.07 -0.34 -1.30 121.20 126.53 3kt2 s ILE 1015Ca -0.04 -0.03 -0.16 0.00 -1.41 0.00 0.00 60.65 59.02 3kt2 s ILE 1015Cb -0.14 -0.31 0.12 0.00 0.13 0.00 0.00 42.46 42.25 3kt2 s ILE 1015CO -0.04 -0.02 0.89 0.61 -1.91 0.00 0.00 174.94 174.47 3kt2 n GLY 1016N 2.89 -0.48 2.68 1.50 0.00 -1.26 -0.75 105.19 109.77 3kt2 n GLY 1016Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kt2 n GLY 1016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt2 n GLY 1017N -1.55 0.29 3.43 -0.02 0.00 -1.26 -4.97 105.19 101.12 3kt2 n GLY 1017Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3kt2 n GLY 1017CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt2 s GLN 1018N -0.92 1.54 -0.14 1.61 -0.21 0.07 -5.13 119.66 116.48 3kt2 s GLN 1018Ca 0.00 -1.58 -0.06 0.00 0.02 0.00 0.00 55.36 53.74 3kt2 s GLN 1018Cb 0.00 -1.78 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 3kt2 s GLN 1018CO 0.00 0.37 0.06 -0.51 -2.12 0.00 0.00 175.29 173.09 3kt2 s LEU 1019N -2.90 3.88 0.11 2.90 1.43 -1.26 -1.19 118.68 121.65 3kt2 s LEU 1019Ca 0.23 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 3kt2 s LEU 1019Cb -0.07 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3kt2 s LEU 1019CO 0.11 0.30 0.17 -0.54 0.23 0.00 0.00 176.35 176.62 3kt2 s LYS 1020N -0.37 0.92 -0.06 1.70 1.02 -0.59 -5.00 119.74 117.36 3kt2 s LYS 1020Ca 0.09 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 3kt2 s LYS 1020Cb -0.12 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 3kt2 s LYS 1020CO 0.02 -0.29 0.03 -2.00 -0.92 0.00 0.00 175.35 172.18 3kt2 s GLU 1021N -3.93 3.00 0.06 1.68 2.12 -1.26 -0.49 118.70 119.87 3kt2 s GLU 1021Ca 0.12 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.96 3kt2 s GLU 1021Cb 0.05 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 3kt2 s GLU 1021CO -0.06 0.69 0.10 0.00 -0.54 0.00 0.00 175.26 175.45 3kt2 s ALA 1022N -0.99 0.02 -0.23 6.30 0.00 0.09 -4.58 121.76 122.38 3kt2 s ALA 1022Ca 0.16 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 3kt2 s ALA 1022Cb -0.12 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3kt2 s ALA 1022CO 0.06 -0.40 0.36 -1.17 0.00 0.00 0.00 175.76 174.61 3kt2 s LEU 1023N -2.58 4.11 -0.34 0.00 2.96 0.05 -0.56 118.68 122.33 3kt2 s LEU 1023Ca 0.01 0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 3kt2 s LEU 1023Cb 0.03 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 3kt2 s LEU 1023CO -0.08 -0.10 1.66 -0.76 -1.32 0.00 0.00 176.35 175.75 3kt2 s LEU 1024N 1.54 3.57 -0.41 -0.68 1.43 -0.12 -0.47 118.68 123.55 3kt2 s LEU 1024Ca 0.16 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 3kt2 s LEU 1024Cb -0.15 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.66 3kt2 s LEU 1024CO 0.08 -1.57 0.16 -0.62 0.23 0.00 0.00 176.35 174.63 3kt2 s ASP 1025N 5.19 4.24 0.31 2.29 -1.08 -0.40 -4.07 116.67 123.15 3kt2 s ASP 1025Ca 0.73 -2.41 0.24 0.00 -0.52 0.00 0.00 52.55 50.59 3kt2 s ASP 1025Cb -0.20 -1.35 1.11 0.00 -1.46 0.00 0.00 42.92 41.02 3kt2 s ASP 1025CO 0.33 -0.32 1.74 0.71 0.52 0.00 0.00 175.17 178.15 3kt2 h THR 1026N 5.96 0.00 -0.01 1.71 1.35 -1.84 -2.25 112.91 117.83 3kt2 h THR 1026Ca -0.06 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3kt2 h THR 1026Cb 0.96 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3kt2 h THR 1026CO 0.55 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.38 3kt2 n GLY 1027N -0.39 -0.50 3.50 5.82 0.00 -1.26 -4.64 105.19 107.72 3kt2 n GLY 1027Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3kt2 n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt2 s ALA 1028N -2.16 3.16 0.17 4.61 0.00 -0.84 -4.98 121.76 121.72 3kt2 s ALA 1028Ca 0.37 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 3kt2 s ALA 1028Cb 0.21 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.51 3kt2 s ALA 1028CO 0.39 -0.11 1.60 -0.44 0.00 0.00 0.00 175.76 177.20 3kt2 h ASP 1029N 7.40 1.03 -3.10 0.00 3.45 -1.87 0.22 116.42 123.54 3kt2 h ASP 1029Ca -0.36 -0.35 -0.61 0.00 0.43 0.00 0.00 57.03 56.15 3kt2 h ASP 1029Cb 1.18 -0.28 -0.17 0.00 -0.56 0.00 0.00 39.33 39.49 3kt2 h ASP 1029CO 0.62 1.14 -0.80 -1.81 -1.57 0.00 0.00 179.24 176.83 3kt2 s ASP 1030N -6.66 3.25 -0.09 6.45 1.11 -1.26 -2.54 116.67 116.92 3kt2 s ASP 1030Ca -0.11 -0.90 -0.24 0.00 0.18 0.00 0.00 52.55 51.48 3kt2 s ASP 1030Cb 0.13 -0.23 -0.03 0.00 1.07 0.00 0.00 42.92 43.85 3kt2 s ASP 1030CO 0.86 0.06 0.73 -0.89 1.18 0.00 0.00 175.17 177.12 3kt2 s THR 1031N -1.95 5.01 -0.07 -1.27 2.01 -1.26 -3.69 115.64 114.41 3kt2 s THR 1031Ca 0.21 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.71 3kt2 s THR 1031Cb -0.07 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.40 3kt2 s THR 1031CO 0.10 0.19 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.47 3kt2 s VAL 1032N 1.14 0.76 0.12 3.82 1.01 -0.48 -1.64 120.40 125.13 3kt2 s VAL 1032Ca 0.38 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3kt2 s VAL 1032Cb -0.18 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3kt2 s VAL 1032CO 0.17 0.30 -0.13 -0.76 0.00 0.00 0.00 175.10 174.68 3kt2 s LEU 1033N 1.31 2.92 0.96 3.92 1.43 0.80 -0.62 118.68 129.42 3kt2 s LEU 1033Ca -0.04 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3kt2 s LEU 1033Cb -0.14 -1.72 0.16 0.00 0.03 0.00 0.00 46.19 44.52 3kt2 s LEU 1033CO -0.03 0.17 1.05 -0.62 0.23 0.00 0.00 176.35 177.16 3kt2 n GLU 1034N 0.67 -0.78 -1.56 1.70 1.02 -1.26 -1.42 120.64 119.01 3kt2 n GLU 1034Ca -0.14 -0.17 -0.57 0.00 -0.02 0.00 0.00 57.16 56.27 3kt2 n GLU 1034Cb 0.53 -2.29 -0.07 0.00 -0.02 0.00 0.00 31.44 29.58 3kt2 n GLU 1034CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kt2 n GLU 1035N -4.13 0.53 -3.52 3.49 4.07 -1.21 -4.55 120.64 115.33 3kt2 n GLU 1035Ca 0.10 0.19 -0.10 0.00 -0.06 0.00 0.00 57.16 57.29 3kt2 n GLU 1035Cb 0.53 -1.76 -0.02 0.00 -0.06 0.00 0.00 31.44 30.13 3kt2 n GLU 1035CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kt2 s MET 1036N 0.54 1.32 -0.31 5.31 0.23 -1.26 -5.03 119.30 120.09 3kt2 s MET 1036Ca 0.89 -0.55 -0.25 0.00 -1.03 0.00 0.00 55.69 54.76 3kt2 s MET 1036Cb -1.14 0.56 0.01 0.00 -1.53 0.00 0.00 34.83 32.73 3kt2 s MET 1036CO 0.55 -0.58 0.88 0.45 -2.03 0.00 0.00 175.02 174.28 3kt2 s SER 1037N -2.76 6.74 0.19 -1.18 0.15 -1.26 -5.05 113.70 110.54 3kt2 s SER 1037Ca 0.04 0.77 0.11 0.00 0.70 0.00 0.00 55.95 57.56 3kt2 s SER 1037Cb -0.02 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 3kt2 s SER 1037CO -0.09 -0.70 -0.22 -0.76 1.20 0.00 0.00 173.24 172.67 3kt2 s LEU 1038N 3.17 2.45 0.05 3.45 1.43 -1.26 -4.90 118.68 123.07 3kt2 s LEU 1038Ca 0.36 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 3kt2 s LEU 1038Cb -0.13 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3kt2 s LEU 1038CO 0.13 0.07 0.98 -2.84 0.23 0.00 0.00 176.35 174.93 3kt2 s PRO 1039N -2.78 4.61 0.38 1.29 0.02 -1.26 -4.94 135.00 132.32 3kt2 s PRO 1039Ca 0.20 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3kt2 s PRO 1039Cb -0.07 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3kt2 s PRO 1039CO 0.09 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 3kt2 n GLY 1040N 2.64 -1.08 3.93 0.52 0.00 -1.26 -5.01 105.19 104.92 3kt2 n GLY 1040Ca 0.05 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3kt2 n GLY 1040CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt2 s ARG 1041N 0.00 3.51 0.31 1.61 3.52 -1.26 -5.10 118.95 121.54 3kt2 s ARG 1041Ca 0.00 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.17 3kt2 s ARG 1041Cb 0.00 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3kt2 s ARG 1041CO 0.00 0.43 0.46 1.67 -0.81 0.00 0.00 175.30 177.06 3kt2 s TRP 1042N -1.82 0.88 -0.02 5.12 1.48 -1.26 -4.47 118.94 118.86 3kt2 s TRP 1042Ca 0.38 -1.16 0.02 0.00 -1.06 0.00 0.00 56.10 54.28 3kt2 s TRP 1042Cb -0.11 -0.02 0.01 0.00 -1.16 0.00 0.00 33.47 32.18 3kt2 s TRP 1042CO 0.29 -1.09 -0.05 0.15 -4.06 0.00 0.00 176.95 172.19 3kt2 s LYS 1043N -3.31 0.59 0.32 3.25 1.02 -0.52 -4.91 119.74 116.18 3kt2 s LYS 1043Ca 0.29 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 3kt2 s LYS 1043Cb -0.00 -0.60 -0.10 0.00 -0.52 0.00 0.00 37.83 36.60 3kt2 s LYS 1043CO 0.17 0.04 1.40 -2.14 -0.92 0.00 0.00 175.35 173.90 3kt2 s PRO 1044N 0.31 4.26 -0.04 -1.68 0.02 -1.26 -0.44 135.00 136.17 3kt2 s PRO 1044Ca -0.04 2.35 -0.22 0.00 0.02 0.00 0.00 61.00 63.12 3kt2 s PRO 1044Cb -0.08 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.44 3kt2 s PRO 1044CO -0.00 -0.36 0.48 0.21 -0.33 0.00 0.00 177.00 177.00 3kt2 s LYS 1045N -1.44 0.82 -0.06 5.54 2.20 -0.20 -4.87 119.74 121.73 3kt2 s LYS 1045Ca 0.53 0.06 0.04 0.00 -0.36 0.00 0.00 55.97 56.25 3kt2 s LYS 1045Cb -0.42 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.26 3kt2 s LYS 1045CO 0.53 -0.23 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.45 3kt2 s MET 1046N -1.14 2.61 0.06 4.03 -1.94 -1.26 0.46 119.30 122.11 3kt2 s MET 1046Ca -0.11 -0.80 0.05 0.00 -1.71 0.00 0.00 55.69 53.12 3kt2 s MET 1046Cb -0.03 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 3kt2 s MET 1046CO 0.06 0.46 -0.15 0.96 -0.01 0.00 0.00 175.02 176.34 3kt2 s ILE 1047N -0.34 1.21 0.33 2.53 -4.36 -0.71 -4.98 121.20 114.88 3kt2 s ILE 1047Ca 0.02 -1.20 0.07 0.00 -0.26 0.00 0.00 60.65 59.28 3kt2 s ILE 1047Cb -0.12 -1.12 -0.01 0.00 1.25 0.00 0.00 42.46 42.45 3kt2 s ILE 1047CO 0.02 -0.09 0.43 -0.83 0.24 0.00 0.00 174.94 174.71 3kt2 s GLY 1048N -1.49 1.64 0.00 6.27 0.00 -1.26 -1.11 107.32 111.36 3kt2 s GLY 1048Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3kt2 s GLY 1048CO 0.02 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.31 3kt2 n GLY 1049N -1.57 1.19 0.34 0.20 0.00 0.55 -4.95 105.19 100.94 3kt2 n GLY 1049Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.21 3kt2 n GLY 1049CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kt2 h ILE 1050N 0.78 0.08 -0.49 -0.61 1.08 -1.88 -2.11 117.51 114.35 3kt2 h ILE 1050Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kt2 h ILE 1050Cb 0.00 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 3kt2 h ILE 1050CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 3kt2 n GLY 1051N -1.57 2.15 0.00 5.37 0.00 -0.69 -4.69 105.19 105.77 3kt2 n GLY 1051Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3kt2 n GLY 1051CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt2 n GLY 1052N 1.28 0.54 3.65 -0.02 0.00 -0.80 -4.12 105.19 105.72 3kt2 n GLY 1052Ca 0.19 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 3kt2 n GLY 1052CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kt2 s PHE 1053N -1.96 2.81 0.12 1.61 0.40 -1.26 -0.33 117.98 119.37 3kt2 s PHE 1053Ca 0.00 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.24 3kt2 s PHE 1053Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 3kt2 s PHE 1053CO 0.00 0.51 -0.12 0.96 0.70 0.00 0.00 175.22 177.27 3kt2 s ILE 1054N -1.70 1.21 -0.04 0.64 -4.36 -0.27 -4.62 121.20 112.06 3kt2 s ILE 1054Ca 0.27 -1.75 -0.18 0.00 -0.26 0.00 0.00 60.65 58.72 3kt2 s ILE 1054Cb -0.09 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 42.03 3kt2 s ILE 1054CO 0.18 -0.51 0.51 -0.54 0.24 0.00 0.00 174.94 174.82 3kt2 s LYS 1055N -2.87 4.23 0.11 0.37 1.02 -1.26 -1.75 119.74 119.60 3kt2 s LYS 1055Ca 0.09 0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.66 3kt2 s LYS 1055Cb -0.03 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 3kt2 s LYS 1055CO 0.02 0.38 -0.05 0.14 -0.92 0.00 0.00 175.35 174.92 3kt2 s VAL 1056N -0.15 0.65 -0.21 3.17 -7.23 0.17 -4.38 120.40 112.43 3kt2 s VAL 1056Ca 0.27 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 3kt2 s VAL 1056Cb -0.17 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 3kt2 s VAL 1056CO 0.14 -0.78 0.22 -0.13 -0.31 0.00 0.00 175.10 174.24 3kt2 s ARG 1057N -3.86 4.15 -0.34 4.82 0.52 0.68 -1.03 118.95 123.88 3kt2 s ARG 1057Ca 0.15 -0.11 -0.18 0.00 -0.52 0.00 0.00 55.73 55.07 3kt2 s ARG 1057Cb 0.06 -3.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 3kt2 s ARG 1057CO -0.03 0.13 0.51 -1.14 0.02 0.00 0.00 175.30 174.79 3kt2 s GLN 1058N 0.84 3.67 -0.16 3.54 0.74 0.42 -1.15 119.66 127.56 3kt2 s GLN 1058Ca 0.11 -0.11 -0.06 0.00 0.05 0.00 0.00 55.36 55.35 3kt2 s GLN 1058Cb -0.13 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.15 3kt2 s GLN 1058CO 0.03 -0.61 0.06 0.71 -0.55 0.00 0.00 175.29 174.93 3kt2 s TYR 1059N 2.39 3.28 0.16 1.67 1.51 -0.27 -1.43 117.35 124.65 3kt2 s TYR 1059Ca 0.19 0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 3kt2 s TYR 1059Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 3kt2 s TYR 1059CO 0.13 0.28 0.22 -0.51 -1.11 0.00 0.00 175.55 174.56 3kt2 s ASP 1060N -0.04 5.96 -1.37 2.29 1.01 -1.26 -0.72 116.67 122.53 3kt2 s ASP 1060Ca 0.06 0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.31 3kt2 s ASP 1060Cb -0.12 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.14 3kt2 s ASP 1060CO 0.01 0.06 0.80 0.00 0.21 0.00 0.00 175.17 176.25 3kt2 n GLN 1061N -0.48 -5.23 -3.52 8.23 6.02 -1.17 -4.94 117.38 116.29 3kt2 n GLN 1061Ca -0.08 0.62 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 3kt2 n GLN 1061Cb 0.54 -5.30 -0.08 0.00 1.02 0.00 0.00 30.24 26.42 3kt2 n GLN 1061CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kt2 s ILE 1062N -3.55 5.28 0.03 5.09 -1.09 -0.39 -4.83 121.20 121.74 3kt2 s ILE 1062Ca 0.21 0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 58.84 3kt2 s ILE 1062Cb -0.11 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 3kt2 s ILE 1062CO 0.81 0.33 1.15 -0.22 -1.23 0.00 0.00 174.94 175.78 3kt2 s LEU 1063N 0.92 4.36 -0.04 2.97 2.96 -1.26 -2.35 118.68 126.24 3kt2 s LEU 1063Ca 0.15 1.91 0.04 0.00 -0.22 0.00 0.00 54.13 56.00 3kt2 s LEU 1063Cb -0.14 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3kt2 s LEU 1063CO 0.05 -0.43 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.88 3kt2 s ILE 1064N 1.17 1.16 -0.25 6.68 1.01 0.56 -4.30 121.20 127.23 3kt2 s ILE 1064Ca 0.57 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3kt2 s ILE 1064Cb -0.27 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 3kt2 s ILE 1064CO 0.28 0.34 -0.00 -0.70 0.00 0.00 0.00 174.94 174.86 3kt2 s GLU 1065N 0.12 3.26 -0.20 2.79 2.12 -0.42 -0.45 118.70 125.92 3kt2 s GLU 1065Ca -0.04 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.58 3kt2 s GLU 1065Cb -0.10 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 31.18 3kt2 s GLU 1065CO 0.01 -0.28 -0.17 0.42 -0.54 0.00 0.00 175.26 174.70 3kt2 s ILE 1066N 1.48 2.23 0.00 -3.70 1.01 0.11 -0.57 121.20 121.75 3kt2 s ILE 1066Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3kt2 s ILE 1066Cb -0.15 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.32 3kt2 s ILE 1066CO -0.01 0.45 0.00 0.00 0.00 0.00 0.00 174.94 175.37 3kt2 h GLY 1068N 0.00 0.54 -5.19 0.00 0.00 -1.92 -3.47 103.07 93.03 3kt2 h GLY 1068Ca 0.00 -0.31 -0.61 0.00 0.00 0.00 0.00 47.33 46.41 3kt2 h GLY 1068CO 0.00 0.29 -0.23 0.30 0.00 0.00 0.00 176.54 176.90 3kt2 s HIS 1069N -4.99 3.67 0.42 5.60 3.76 -0.55 -5.01 115.29 118.19 3kt2 s HIS 1069Ca -0.07 0.91 -0.13 0.00 -0.15 0.00 0.00 55.06 55.62 3kt2 s HIS 1069Cb 0.16 -2.29 -0.07 0.00 1.11 0.00 0.00 32.58 31.48 3kt2 s HIS 1069CO 0.76 0.57 0.82 0.15 -0.85 0.00 0.00 174.74 176.19 3kt2 s LYS 1070N -0.76 3.87 0.00 1.40 1.02 -1.26 0.06 119.74 124.07 3kt2 s LYS 1070Ca 0.23 0.64 -0.29 0.00 0.02 0.00 0.00 55.97 56.57 3kt2 s LYS 1070Cb -0.16 -2.33 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 3kt2 s LYS 1070CO 0.11 -0.06 0.68 0.00 -0.92 0.00 0.00 175.35 175.17 3kt2 s ALA 1071N -2.36 -1.73 -0.02 5.17 0.00 0.41 -4.89 121.76 118.34 3kt2 s ALA 1071Ca 0.54 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.64 3kt2 s ALA 1071Cb -0.10 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3kt2 s ALA 1071CO 0.28 -0.49 -0.16 0.42 0.00 0.00 0.00 175.76 175.82 3kt2 s ILE 1072N -1.96 1.28 -0.38 0.00 1.01 -1.26 -0.32 121.20 119.57 3kt2 s ILE 1072Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3kt2 s ILE 1072Cb -0.00 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3kt2 s ILE 1072CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3kt2 n GLY 1073N 2.89 -1.05 3.78 6.18 0.00 -0.99 -4.93 105.19 111.06 3kt2 n GLY 1073Ca -0.16 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3kt2 n GLY 1073CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kt2 s THR 1074N -3.00 4.34 -0.05 2.61 2.01 -1.26 -1.27 115.64 119.02 3kt2 s THR 1074Ca 0.00 1.73 0.03 0.00 0.31 0.00 0.00 61.69 63.76 3kt2 s THR 1074Cb 0.00 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.37 3kt2 s THR 1074CO 0.00 0.51 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 3kt2 s VAL 1075N -1.16 1.12 -0.05 3.82 1.01 0.10 -4.62 120.40 120.62 3kt2 s VAL 1075Ca 0.36 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3kt2 s VAL 1075Cb -0.23 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3kt2 s VAL 1075CO 0.27 0.34 0.24 -0.76 0.00 0.00 0.00 175.10 175.19 3kt2 s LEU 1076N 0.43 4.40 -0.07 3.92 1.43 -0.65 -1.12 118.68 127.02 3kt2 s LEU 1076Ca -0.10 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3kt2 s LEU 1076Cb -0.13 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3kt2 s LEU 1076CO 0.03 0.33 -0.12 -0.69 0.23 0.00 0.00 176.35 176.12 3kt2 s VAL 1077N -1.15 1.15 -0.49 -1.59 1.01 -0.30 -0.14 120.40 118.88 3kt2 s VAL 1077Ca 0.22 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3kt2 s VAL 1077Cb -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3kt2 s VAL 1077CO 0.11 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3kt2 n GLY 1078N 3.88 -1.16 1.99 4.51 0.00 -0.51 -0.23 105.19 113.66 3kt2 n GLY 1078Ca -0.22 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 3kt2 n GLY 1078CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kt2 n PRO 1079N 0.00 1.14 -2.58 1.61 -0.02 -1.26 -3.31 135.00 130.58 3kt2 n PRO 1079Ca 0.00 -0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 60.64 3kt2 n PRO 1079Cb 0.00 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3kt2 n PRO 1079CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3kt2 s THR 1080N 1.28 3.76 0.30 3.45 -1.32 -1.26 -4.74 115.64 117.11 3kt2 s THR 1080Ca 0.30 1.54 0.20 0.00 -1.21 0.00 0.00 61.69 62.52 3kt2 s THR 1080Cb 0.15 -3.89 0.18 0.00 -1.51 0.00 0.00 72.50 67.42 3kt2 s THR 1080CO 0.00 0.20 1.87 -0.65 -2.21 0.00 0.00 174.62 173.83 3kt2 h PRO 1081N 3.22 0.00 -3.55 7.08 0.11 -1.90 -3.42 132.00 133.54 3kt2 h PRO 1081Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3kt2 h PRO 1081Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 3kt2 h PRO 1081CO 0.65 0.29 -0.49 0.14 -0.21 0.00 0.00 178.00 178.37 3kt2 s VAL 1082N -3.96 0.09 0.10 3.15 -7.23 -1.26 -5.05 120.40 106.23 3kt2 s VAL 1082Ca -0.02 -0.74 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 3kt2 s VAL 1082Cb 0.13 -0.49 -0.08 0.00 0.56 0.00 0.00 36.38 36.50 3kt2 s VAL 1082CO 0.66 -0.41 1.39 0.20 -0.31 0.00 0.00 175.10 176.64 3kt2 s ASN 1083N -1.49 6.83 -0.04 4.85 0.01 -1.26 -4.68 114.94 119.16 3kt2 s ASN 1083Ca -0.14 2.29 0.03 0.00 -0.71 0.00 0.00 52.86 54.34 3kt2 s ASN 1083Cb -0.07 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3kt2 s ASN 1083CO 0.01 -0.67 -0.13 0.27 -1.51 0.00 0.00 177.10 175.07 3kt2 s ILE 1084N 1.34 1.15 -0.36 0.60 -4.36 0.21 -0.77 121.20 119.01 3kt2 s ILE 1084Ca 0.65 -0.54 -0.16 0.00 -0.26 0.00 0.00 60.65 60.34 3kt2 s ILE 1084Cb -0.36 -1.02 -0.00 0.00 1.25 0.00 0.00 42.46 42.33 3kt2 s ILE 1084CO 0.30 0.35 0.38 -0.63 0.24 0.00 0.00 174.94 175.57 3kt2 s ILE 1085N 0.27 5.15 0.54 8.37 -1.09 0.38 -1.39 121.20 133.44 3kt2 s ILE 1085Ca -0.07 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 3kt2 s ILE 1085Cb -0.12 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 36.99 3kt2 s ILE 1085CO 0.02 -0.18 0.74 0.61 -1.23 0.00 0.00 174.94 174.90 3kt2 n GLY 1086N 5.00 1.06 0.26 6.18 0.00 -1.24 -1.28 105.19 115.17 3kt2 n GLY 1086Ca -0.09 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 43.97 3kt2 n GLY 1086CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kt2 h ARG 1087N 0.00 0.00 -0.91 1.61 3.08 -0.49 -0.98 114.38 116.70 3kt2 h ARG 1087Ca -0.24 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.95 3kt2 h ARG 1087Cb 0.96 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 3kt2 h ARG 1087CO 0.29 0.11 0.58 0.38 -1.07 0.00 0.00 179.97 180.26 3kt2 h ASP 1088N 0.00 0.67 0.04 7.04 2.03 -1.74 -1.60 116.42 122.86 3kt2 h ASP 1088Ca -0.00 0.04 -0.31 0.00 -0.73 0.00 0.00 57.03 56.03 3kt2 h ASP 1088Cb 0.26 -0.09 -0.06 0.00 -0.83 0.00 0.00 39.33 38.61 3kt2 h ASP 1088CO 0.01 0.33 -2.28 0.18 -1.03 0.00 0.00 179.24 176.46 3kt2 n LEU 1089N -4.58 0.07 -0.22 0.15 4.77 -0.65 -4.35 117.00 112.19 3kt2 n LEU 1089Ca 0.18 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 3kt2 n LEU 1089Cb 0.48 0.41 0.25 0.00 -2.33 0.00 0.00 43.42 42.22 3kt2 n LEU 1089CO 0.29 0.42 1.24 -0.07 -1.33 0.00 0.00 177.39 177.94 3kt2 h LEU 1090N 0.00 0.86 -1.37 2.23 3.38 -0.86 -1.80 115.31 117.75 3kt2 h LEU 1090Ca -0.45 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 3kt2 h LEU 1090Cb 2.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 3kt2 h LEU 1090CO 0.03 0.62 -0.21 0.71 0.09 0.00 0.00 178.44 179.69 3kt2 h THR 1091N 1.02 1.20 0.00 0.22 1.35 -1.50 -2.05 112.91 113.14 3kt2 h THR 1091Ca 0.28 -0.91 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 3kt2 h THR 1091Cb -0.11 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3kt2 h THR 1091CO -0.06 0.27 -0.36 1.56 -0.25 0.00 0.00 175.52 176.68 3kt2 h GLN 1092N 0.15 0.00 -0.68 4.72 1.08 -1.52 -2.85 115.11 116.00 3kt2 h GLN 1092Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3kt2 h GLN 1092Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3kt2 h GLN 1092CO 0.03 0.36 0.00 0.44 -0.95 0.00 0.00 178.83 178.71 3kt2 n ILE 1093N -3.54 1.18 -2.70 2.54 -5.35 -1.03 -4.96 119.36 105.50 3kt2 n ILE 1093Ca -0.00 -1.05 -0.13 0.00 -0.27 0.00 0.00 62.75 61.30 3kt2 n ILE 1093Cb 0.50 0.42 0.02 0.00 -1.74 0.00 0.00 39.64 38.84 3kt2 n ILE 1093CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kt2 n GLY 1094N 1.43 -0.04 3.77 3.28 0.00 -1.08 -4.80 105.19 107.75 3kt2 n GLY 1094Ca 0.24 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3kt2 n GLY 1094CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kt2 s MET 1095N -5.22 4.49 0.05 1.61 1.00 -0.80 -4.37 119.30 116.05 3kt2 s MET 1095Ca 0.18 1.71 -0.00 0.00 0.00 0.00 0.00 55.69 57.58 3kt2 s MET 1095Cb -0.08 -2.99 -0.03 0.00 0.00 0.00 0.00 34.83 31.73 3kt2 s MET 1095CO 0.22 0.10 -0.04 0.95 0.00 0.00 0.00 175.02 176.26 3kt2 s THR 1096N -1.31 0.25 -0.17 2.05 -4.23 0.82 -4.26 115.64 108.78 3kt2 s THR 1096Ca 0.49 -1.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.42 3kt2 s THR 1096Cb -0.29 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 3kt2 s THR 1096CO 0.37 -0.80 0.04 -0.76 -0.54 0.00 0.00 174.62 172.92 3kt2 s LEU 1097N -2.42 3.67 -0.10 4.79 1.43 0.46 -0.58 118.68 125.93 3kt2 s LEU 1097Ca -0.00 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3kt2 s LEU 1097Cb 0.01 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.33 3kt2 s LEU 1097CO -0.06 0.17 -0.14 0.20 0.23 0.00 0.00 176.35 176.75 3kt2 s ASN 1098N 0.36 2.28 0.00 2.29 -0.87 0.05 -0.01 114.94 119.04 3kt2 s ASN 1098Ca 0.01 -0.39 0.00 0.00 -1.57 0.00 0.00 52.86 50.91 3kt2 s ASN 1098Cb -0.13 -1.01 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 3kt2 s ASN 1098CO 0.01 0.00 0.00 2.22 -2.57 0.00 0.00 177.10 176.76