#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkt s SER -14 N 0.00 4.85 0.62 1.67 0.01 -1.26 -4.94 113.70 114.65 1nkt s SER -14 Ca 0.00 -0.98 0.08 0.00 1.31 0.00 0.00 55.95 56.36 1nkt s SER -14 Cb 0.00 -0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.28 1nkt s SER -14 CO 0.00 -0.91 0.86 -2.16 0.41 0.00 0.00 173.24 171.43 1nkt s PRO -13 N -4.24 2.11 0.00 12.44 0.04 -1.26 -4.51 135.00 139.58 1nkt s PRO -13 Ca 0.43 -1.61 0.00 0.00 0.04 0.00 0.00 61.00 59.86 1nkt s PRO -13 Cb -0.03 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1nkt s PRO -13 CO 0.26 -1.05 0.00 -3.47 0.04 0.00 0.00 177.00 172.78 1nkt n ASP -12 N -2.40 0.00 -4.68 6.66 2.03 -1.26 -4.64 116.55 112.26 1nkt n ASP -12 Ca 0.17 -0.47 -0.46 0.00 0.52 0.00 0.00 54.79 54.54 1nkt n ASP -12 Cb 0.62 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.98 1nkt n ASP -12 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nkt n LEU -11 N 0.00 3.32 -4.09 -2.67 4.77 -1.26 -2.24 117.00 114.83 1nkt n LEU -11 Ca 0.00 1.04 -0.30 0.00 -0.03 0.00 0.00 56.01 56.72 1nkt n LEU -11 Cb 0.12 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 39.75 1nkt n LEU -11 CO 0.00 -0.16 -0.15 0.61 -1.33 0.00 0.00 177.39 176.35 1nkt n GLY -10 N 3.79 -0.32 3.34 -0.72 0.00 -1.26 -4.97 105.19 105.05 1nkt n GLY -10 Ca 0.19 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1nkt n GLY -10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nkt s THR -9 N -3.69 2.87 0.01 2.61 2.01 -0.95 -5.06 115.64 113.44 1nkt s THR -9 Ca 0.33 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1nkt s THR -9 Cb -0.18 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.08 1nkt s THR -9 CO 0.91 0.53 0.91 0.25 -0.69 0.00 0.00 174.62 176.53 1nkt h LEU -8 N 6.75 -0.34 -9.41 4.42 5.85 -1.93 -3.43 115.31 117.22 1nkt h LEU -8 Ca -0.25 0.01 -0.54 0.00 0.84 0.00 0.00 57.88 57.94 1nkt h LEU -8 Cb 1.22 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1nkt h LEU -8 CO 0.54 -0.19 0.57 -0.69 -0.34 0.00 0.00 178.44 178.33 1nkt s VAL -7 N -3.42 4.27 0.11 1.05 1.01 -1.26 -4.87 120.40 117.29 1nkt s VAL -7 Ca -0.06 1.62 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 1nkt s VAL -7 Cb 0.01 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1nkt s VAL -7 CO 0.18 0.08 1.34 -2.16 0.00 0.00 0.00 175.10 174.54 1nkt s PRO -6 N 1.44 4.35 -0.36 2.72 0.04 -1.26 -5.00 135.00 136.93 1nkt s PRO -6 Ca 0.56 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 1nkt s PRO -6 Cb -0.26 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1nkt s PRO -6 CO 0.26 -0.38 0.21 1.03 0.04 0.00 0.00 177.00 178.16 1nkt s ARG -5 N 1.00 3.01 0.56 4.56 1.81 -1.26 -4.55 118.95 124.08 1nkt s ARG -5 Ca 0.63 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1nkt s ARG -5 Cb -0.35 -3.73 0.00 0.00 -0.45 0.00 0.00 34.95 30.42 1nkt s ARG -5 CO 0.31 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 174.72 1nkt n GLY -4 N 5.02 0.30 0.35 -3.53 0.00 -1.26 -2.20 105.19 103.87 1nkt n GLY -4 Ca -0.12 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1nkt n GLY -4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1nkt h SER -3 N 0.00 1.00 0.15 1.61 0.87 -1.92 -1.01 113.55 114.26 1nkt h SER -3 Ca 0.00 -0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.31 1nkt h SER -3 Cb 0.00 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1nkt h SER -3 CO 0.00 0.80 -0.67 -0.03 -0.53 0.00 0.00 176.83 176.40 1nkt h MET -2 N 1.14 0.48 0.00 2.24 -1.53 -1.69 -3.15 114.93 112.42 1nkt h MET -2 Ca 0.29 -0.36 -0.03 0.00 -3.44 0.00 0.00 59.70 56.17 1nkt h MET -2 Cb 0.00 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1nkt h MET -2 CO -0.05 0.98 -0.13 0.00 0.14 0.00 0.00 176.91 177.86 1nkt h ALA -1 N 0.93 1.64 0.42 0.39 0.00 -1.46 -1.77 119.26 119.40 1nkt h ALA -1 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1nkt h ALA -1 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1nkt h ALA -1 CO 0.12 0.16 -0.20 -0.44 0.00 0.00 0.00 179.25 178.89 1nkt h ASP 0 N 0.00 -0.48 -0.96 0.00 3.32 -1.20 -1.37 116.42 115.73 1nkt h ASP 0 Ca -0.00 -0.06 0.31 0.00 0.02 0.00 0.00 57.03 57.30 1nkt h ASP 0 Cb 0.25 0.12 -0.16 0.00 0.22 0.00 0.00 39.33 39.76 1nkt h ASP 0 CO 0.02 -0.04 0.36 0.40 -1.72 0.00 0.00 179.24 178.25 1nkt h ILE 1 N -1.08 0.19 -0.43 0.35 2.04 -1.47 0.27 117.51 117.38 1nkt h ILE 1 Ca -0.06 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1nkt h ILE 1 Cb 0.50 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1nkt h ILE 1 CO 0.09 0.03 -0.31 -0.07 0.00 0.00 0.00 178.15 177.89 1nkt h LEU 2 N 0.16 1.01 -0.88 1.44 3.38 -1.17 -2.20 115.31 117.06 1nkt h LEU 2 Ca 0.68 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1nkt h LEU 2 Cb 1.54 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1nkt h LEU 2 CO -0.71 1.23 0.46 0.28 0.09 0.00 0.00 178.44 179.79 1nkt h SER 3 N 0.80 1.13 0.00 -0.43 0.02 0.23 -2.90 113.55 112.39 1nkt h SER 3 Ca 0.08 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1nkt h SER 3 Cb 0.90 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1nkt h SER 3 CO 0.08 0.92 0.00 1.17 -1.14 0.00 0.00 176.83 177.87 1nkt n LYS 4 N -4.32 0.00 0.05 3.45 4.81 0.73 -2.09 118.16 120.80 1nkt n LYS 4 Ca 0.09 0.69 0.02 0.00 -0.87 0.00 0.00 58.31 58.24 1nkt n LYS 4 Cb 0.12 -1.49 0.10 0.00 0.02 0.00 0.00 35.03 33.78 1nkt n LYS 4 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1nkt n LEU 5 N -2.37 0.10 0.32 3.14 4.77 -0.87 -1.89 117.00 120.19 1nkt n LEU 5 Ca 0.00 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1nkt n LEU 5 Cb 0.00 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 1nkt n LEU 5 CO 0.00 -0.38 0.38 0.25 -1.33 0.00 0.00 177.39 176.31 1nkt h LEU 6 N 0.00 -0.72 -2.05 2.23 5.85 -1.20 -2.04 115.31 117.39 1nkt h LEU 6 Ca 0.00 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1nkt h LEU 6 Cb 0.55 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1nkt h LEU 6 CO 0.00 -0.39 0.37 0.03 -0.34 0.00 0.00 178.44 178.11 1nkt h ARG 7 N -1.10 0.00 -0.19 1.25 2.47 -1.41 -0.18 114.38 115.22 1nkt h ARG 7 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1nkt h ARG 7 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1nkt h ARG 7 CO 0.14 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.95 1nkt n LEU 8 N -3.95 1.61 0.00 3.04 4.77 -1.17 -4.92 117.00 116.38 1nkt n LEU 8 Ca 0.07 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1nkt n LEU 8 Cb 0.55 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1nkt n LEU 8 CO 0.30 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nkt n GLY 9 N 1.10 0.73 0.20 -0.72 0.00 -0.08 -4.91 105.19 101.51 1nkt n GLY 9 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1nkt n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nkt h GLU 10 N 2.15 0.00 -1.33 1.61 4.39 -1.58 -3.48 114.58 116.34 1nkt h GLU 10 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1nkt h GLU 10 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1nkt h GLU 10 CO 0.00 0.33 -0.26 0.41 -1.16 0.00 0.00 179.01 178.32 1nkt n GLY 11 N -0.45 0.22 0.17 -3.84 0.00 -1.24 -4.90 105.19 95.14 1nkt n GLY 11 Ca -0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1nkt n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nkt h ARG 12 N 0.00 0.20 -0.97 1.61 1.12 -1.92 -3.23 114.38 111.20 1nkt h ARG 12 Ca -0.25 -0.14 0.06 0.00 -1.11 0.00 0.00 59.98 58.54 1nkt h ARG 12 Cb 1.08 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 31.00 1nkt h ARG 12 CO 0.31 0.73 0.63 1.98 -3.11 0.00 0.00 179.97 180.51 1nkt h MET 13 N 0.15 1.10 -0.54 0.20 4.05 -1.91 -1.21 114.93 116.78 1nkt h MET 13 Ca -0.00 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1nkt h MET 13 Cb 1.07 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 1nkt h MET 13 CO 0.09 0.73 0.24 0.28 0.23 0.00 0.00 176.91 178.48 1nkt h VAL 14 N 1.13 1.21 -0.84 -5.77 2.07 -1.93 -0.51 116.25 111.60 1nkt h VAL 14 Ca 0.41 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1nkt h VAL 14 Cb 0.17 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1nkt h VAL 14 CO -0.16 0.24 0.48 0.11 0.02 0.00 0.00 177.57 178.26 1nkt h LYS 15 N 0.73 0.76 -0.31 1.57 1.57 -1.32 -0.11 116.57 119.45 1nkt h LYS 15 Ca 0.18 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1nkt h LYS 15 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1nkt h LYS 15 CO -0.02 0.50 0.14 -0.09 -0.57 0.00 0.00 179.45 179.41 1nkt h ARG 16 N 0.78 0.46 -0.15 3.15 9.65 -0.94 -1.57 114.38 125.75 1nkt h ARG 16 Ca 0.42 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 59.14 1nkt h ARG 16 Cb 0.42 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1nkt h ARG 16 CO -0.27 0.45 -0.26 -0.07 2.80 0.00 0.00 179.97 182.62 1nkt h LEU 17 N 0.36 0.27 -0.60 3.80 3.38 -0.26 -1.36 115.31 120.91 1nkt h LEU 17 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1nkt h LEU 17 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1nkt h LEU 17 CO -0.01 0.54 0.02 0.50 0.09 0.00 0.00 178.44 179.58 1nkt h LYS 18 N 0.25 1.04 -0.72 1.13 1.63 -0.91 0.16 116.57 119.15 1nkt h LYS 18 Ca 0.04 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1nkt h LYS 18 Cb 0.60 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1nkt h LYS 18 CO 0.04 1.02 0.41 0.87 -3.45 0.00 0.00 179.45 178.34 1nkt h LYS 19 N 0.94 1.00 0.04 1.90 1.57 -0.57 -0.13 116.57 121.33 1nkt h LYS 19 Ca 0.17 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nkt h LYS 19 Cb 0.53 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1nkt h LYS 19 CO 0.03 0.74 -0.02 0.28 -0.57 0.00 0.00 179.45 179.91 1nkt h VAL 20 N 1.00 1.08 0.07 0.50 2.07 -0.89 -1.85 116.25 118.23 1nkt h VAL 20 Ca 0.26 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1nkt h VAL 20 Cb 0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1nkt h VAL 20 CO -0.04 0.10 -0.10 0.00 0.02 0.00 0.00 177.57 177.55 1nkt h ALA 21 N 0.73 -0.16 -0.61 1.67 0.00 -0.39 -1.01 119.26 119.49 1nkt h ALA 21 Ca -0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1nkt h ALA 21 Cb 0.20 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 1nkt h ALA 21 CO 0.01 -0.61 -0.42 -0.44 0.00 0.00 0.00 179.25 177.78 1nkt h ASP 22 N -0.20 -1.47 0.05 0.00 3.32 -1.03 0.12 116.42 117.21 1nkt h ASP 22 Ca 0.02 0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.34 1nkt h ASP 22 Cb 0.21 0.68 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 1nkt h ASP 22 CO -0.05 -0.33 -0.38 0.22 -1.72 0.00 0.00 179.24 176.98 1nkt h TYR 23 N -0.20 -1.07 -1.00 4.55 3.20 -0.70 0.06 116.97 121.81 1nkt h TYR 23 Ca 0.19 0.03 0.32 0.00 3.14 0.00 0.00 58.73 62.41 1nkt h TYR 23 Cb 0.56 0.46 -0.15 0.00 1.54 0.00 0.00 36.73 39.15 1nkt h TYR 23 CO -0.72 -0.48 0.55 0.28 -1.64 0.00 0.00 178.16 176.16 1nkt h VAL 24 N -0.57 0.29 -0.71 1.81 2.07 -0.39 0.67 116.25 119.42 1nkt h VAL 24 Ca 0.04 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1nkt h VAL 24 Cb 0.63 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1nkt h VAL 24 CO -0.27 0.06 0.47 1.23 0.02 0.00 0.00 177.57 179.07 1nkt h GLY 25 N 0.31 0.96 1.70 2.17 0.00 0.96 -0.91 103.07 108.26 1nkt h GLY 25 Ca 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1nkt h GLY 25 CO -0.62 0.27 0.00 -1.30 0.00 0.00 0.00 176.54 174.89 1nkt n THR 26 N -4.46 0.38 0.58 4.70 -2.24 0.23 -2.52 114.28 110.95 1nkt n THR 26 Ca 0.09 0.10 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1nkt n THR 26 Cb 0.16 -0.73 0.26 0.00 -2.10 0.00 0.00 70.33 67.92 1nkt n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nkt n LEU 27 N -1.35 2.62 -0.24 3.22 4.77 -0.35 -4.46 117.00 121.21 1nkt n LEU 27 Ca 0.09 -1.22 -0.07 0.00 -0.03 0.00 0.00 56.01 54.77 1nkt n LEU 27 Cb 0.20 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1nkt n LEU 27 CO 0.18 0.61 0.98 -1.28 -1.33 0.00 0.00 177.39 176.54 1nkt h SER 28 N 3.11 0.96 -0.06 -1.43 0.87 -1.56 -3.03 113.55 112.40 1nkt h SER 28 Ca 0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1nkt h SER 28 Cb 0.70 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1nkt h SER 28 CO 0.00 0.90 0.01 0.44 -0.53 0.00 0.00 176.83 177.65 1nkt h ASP 29 N 0.96 0.10 -0.92 6.23 3.32 -1.83 0.25 116.42 124.53 1nkt h ASP 29 Ca 0.22 -0.27 0.18 0.00 0.02 0.00 0.00 57.03 57.18 1nkt h ASP 29 Cb 0.27 -0.03 -0.17 0.00 0.22 0.00 0.00 39.33 39.62 1nkt h ASP 29 CO -0.01 0.34 -0.26 0.44 -1.72 0.00 0.00 179.24 178.03 1nkt h ASP 30 N -0.15 -0.95 0.74 6.45 3.32 -1.85 -1.39 116.42 122.59 1nkt h ASP 30 Ca 0.02 0.28 -0.25 0.00 0.02 0.00 0.00 57.03 57.10 1nkt h ASP 30 Cb 0.28 0.60 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1nkt h ASP 30 CO 0.00 -0.30 -1.32 -0.37 -1.72 0.00 0.00 179.24 175.53 1nkt h VAL 31 N -0.01 1.35 -0.25 -1.35 -1.51 -1.39 -3.32 116.25 109.77 1nkt h VAL 31 Ca 0.42 -3.09 0.03 0.00 -1.23 0.00 0.00 66.70 62.84 1nkt h VAL 31 Cb 0.66 2.71 -0.01 0.00 -2.13 0.00 0.00 31.29 32.51 1nkt h VAL 31 CO -0.95 0.80 0.17 -0.33 -1.23 0.00 0.00 177.57 176.03 1nkt h GLU 32 N 0.01 0.19 -0.13 5.19 5.08 0.39 -1.97 114.58 123.34 1nkt h GLU 32 Ca -0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1nkt h GLU 32 Cb 1.89 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1nkt h GLU 32 CO 0.12 0.13 0.00 0.36 -1.00 0.00 0.00 179.01 178.62 1nkt n LYS 33 N -4.49 1.58 -3.43 2.33 2.85 -0.61 -4.92 118.16 111.47 1nkt n LYS 33 Ca 0.02 -0.87 -0.33 0.00 -1.05 0.00 0.00 58.31 56.08 1nkt n LYS 33 Cb 0.18 -1.37 -0.05 0.00 -0.65 0.00 0.00 35.03 33.14 1nkt n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1nkt s LEU 34 N -1.55 4.22 0.74 -5.58 1.43 -0.74 -5.09 118.68 112.10 1nkt s LEU 34 Ca 0.31 0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.19 1nkt s LEU 34 Cb 0.16 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.88 1nkt s LEU 34 CO 0.25 -0.02 1.19 -0.89 0.23 0.00 0.00 176.35 177.11 1nkt s THR 35 N -1.72 2.39 0.21 5.49 2.01 -1.26 -4.78 115.64 117.98 1nkt s THR 35 Ca 0.44 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 1nkt s THR 35 Cb -0.12 -2.71 0.16 0.00 0.01 0.00 0.00 72.50 69.84 1nkt s THR 35 CO 0.21 -0.11 1.87 0.44 -0.69 0.00 0.00 174.62 176.34 1nkt h ASP 36 N -0.42 0.82 -0.82 3.53 5.19 -1.98 0.55 116.42 123.30 1nkt h ASP 36 Ca -0.47 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1nkt h ASP 36 Cb 1.29 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 1nkt h ASP 36 CO 0.49 0.59 0.49 0.00 -3.12 0.00 0.00 179.24 177.69 1nkt h ALA 37 N 1.29 1.05 -0.12 3.45 0.00 -1.98 -1.24 119.26 121.71 1nkt h ALA 37 Ca 0.29 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1nkt h ALA 37 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1nkt h ALA 37 CO -0.08 0.52 -0.57 0.93 0.00 0.00 0.00 179.25 180.05 1nkt h GLU 38 N 1.13 0.36 -0.40 0.00 5.08 -1.77 -0.49 114.58 118.50 1nkt h GLU 38 Ca 0.29 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1nkt h GLU 38 Cb -0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nkt h GLU 38 CO -0.05 0.83 -0.14 1.25 -1.00 0.00 0.00 179.01 179.90 1nkt h LEU 39 N 0.28 0.81 -1.55 1.33 5.85 0.23 -3.07 115.31 119.18 1nkt h LEU 39 Ca 0.00 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1nkt h LEU 39 Cb 1.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1nkt h LEU 39 CO 0.10 1.01 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.88 1nkt h ARG 40 N 0.60 0.00 0.00 1.25 2.43 -0.95 -2.35 114.38 115.37 1nkt h ARG 40 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1nkt h ARG 40 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nkt h ARG 40 CO 0.05 0.24 0.00 0.00 -1.51 0.00 0.00 179.97 178.74 1nkt n ALA 41 N -2.44 1.76 -0.02 2.80 0.00 -0.22 -3.02 120.51 119.37 1nkt n ALA 41 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1nkt n ALA 41 Cb 0.30 -1.37 0.26 0.00 0.00 0.00 0.00 19.45 18.64 1nkt n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nkt h LYS 42 N 0.00 0.56 -0.60 0.00 1.79 -1.34 -2.15 116.57 114.83 1nkt h LYS 42 Ca 0.00 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1nkt h LYS 42 Cb 0.40 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1nkt h LYS 42 CO 0.00 0.61 0.35 1.15 -1.08 0.00 0.00 179.45 180.48 1nkt h THR 43 N 0.53 1.19 -0.09 -0.16 2.02 -1.72 0.26 112.91 114.93 1nkt h THR 43 Ca 0.11 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 1nkt h THR 43 Cb 0.39 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1nkt h THR 43 CO 0.02 0.20 -0.56 0.44 0.37 0.00 0.00 175.52 175.98 1nkt h ASP 44 N 0.82 0.31 -0.59 4.18 3.32 -1.69 -2.01 116.42 120.76 1nkt h ASP 44 Ca 0.21 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1nkt h ASP 44 Cb 0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1nkt h ASP 44 CO -0.04 0.81 0.20 -0.08 -1.72 0.00 0.00 179.24 178.41 1nkt h GLU 45 N 0.21 0.91 -0.49 3.56 4.81 -0.70 -1.40 114.58 121.48 1nkt h GLU 45 Ca 0.00 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1nkt h GLU 45 Cb 1.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1nkt h GLU 45 CO 0.09 0.81 0.02 0.74 -0.73 0.00 0.00 179.01 179.94 1nkt h PHE 46 N 0.83 0.92 -0.09 0.92 0.04 -0.68 -0.80 116.94 118.08 1nkt h PHE 46 Ca 0.19 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1nkt h PHE 46 Cb 0.27 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1nkt h PHE 46 CO 0.02 0.86 0.06 0.87 -0.60 0.00 0.00 178.31 179.52 1nkt h LYS 47 N 0.72 0.12 -0.57 1.51 1.57 -1.28 0.57 116.57 119.21 1nkt h LYS 47 Ca 0.14 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1nkt h LYS 47 Cb 0.48 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.67 1nkt h LYS 47 CO 0.02 0.11 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.91 1nkt h ARG 48 N 0.10 0.11 0.00 3.15 2.43 -1.13 -1.74 114.38 117.30 1nkt h ARG 48 Ca 0.03 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1nkt h ARG 48 Cb 0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1nkt h ARG 48 CO -0.01 0.07 -0.29 0.00 -1.51 0.00 0.00 179.97 178.24 1nkt h ARG 49 N 0.11 0.00 -0.00 0.20 3.08 -0.51 -2.32 114.38 114.93 1nkt h ARG 49 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1nkt h ARG 49 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1nkt h ARG 49 CO -0.49 0.29 -0.16 1.28 -1.07 0.00 0.00 179.97 179.82 1nkt n LEU 50 N -3.54 0.21 -0.00 3.04 4.77 0.13 -3.58 117.00 118.04 1nkt n LEU 50 Ca -0.00 0.28 0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1nkt n LEU 50 Cb 0.44 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1nkt n LEU 50 CO 0.35 0.05 -0.07 0.00 -1.33 0.00 0.00 177.39 176.39 1nkt n ALA 51 N -1.42 3.32 -1.88 -1.18 0.00 -0.89 -4.83 120.51 113.63 1nkt n ALA 51 Ca 0.08 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1nkt n ALA 51 Cb 0.33 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1nkt n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nkt s ASP 52 N -2.09 5.55 0.07 0.00 -1.08 -0.91 -4.84 116.67 113.36 1nkt s ASP 52 Ca 0.03 1.25 0.26 0.00 -0.52 0.00 0.00 52.55 53.57 1nkt s ASP 52 Cb 0.08 -2.52 0.61 0.00 -1.46 0.00 0.00 42.92 39.63 1nkt s ASP 52 CO 0.44 -1.99 1.52 0.00 0.52 0.00 0.00 175.17 175.65 1nkt n GLN 53 N 8.67 0.14 0.17 4.34 3.00 -1.26 -3.37 117.38 129.08 1nkt n GLN 53 Ca 0.25 0.06 0.05 0.00 -0.01 0.00 0.00 57.00 57.35 1nkt n GLN 53 Cb 0.48 -1.61 0.16 0.00 0.00 0.00 0.00 30.24 29.27 1nkt n GLN 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1nkt h LYS 54 N 0.00 0.00 -1.19 -1.09 1.57 -2.00 -3.40 116.57 110.46 1nkt h LYS 54 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1nkt h LYS 54 Cb 0.62 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.63 1nkt h LYS 54 CO 0.00 0.39 -0.88 -1.71 -0.57 0.00 0.00 179.45 176.67 1nkt n ASN 55 N -3.27 -0.70 -4.77 0.86 5.15 -1.23 -5.13 115.26 106.17 1nkt n ASN 55 Ca 0.02 -3.15 -0.41 0.00 -0.60 0.00 0.00 54.58 50.43 1nkt n ASN 55 Cb 0.63 0.39 -0.00 0.00 -0.53 0.00 0.00 39.78 40.27 1nkt n ASN 55 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1nkt n PRO 56 N 0.79 2.65 -4.07 1.20 -0.04 -1.22 -4.88 135.00 129.43 1nkt n PRO 56 Ca 0.17 0.93 -0.14 0.00 -0.04 0.00 0.00 63.50 64.42 1nkt n PRO 56 Cb 0.63 -2.66 -0.13 0.00 -0.04 0.00 0.00 33.50 31.30 1nkt n PRO 56 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nkt s GLU 57 N -1.88 0.38 0.33 0.54 2.02 -1.25 -5.10 118.70 113.75 1nkt s GLU 57 Ca 0.55 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 55.23 1nkt s GLU 57 Cb -0.48 -0.26 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 1nkt s GLU 57 CO 0.62 0.06 0.28 0.95 0.02 0.00 0.00 175.26 177.18 1nkt s THR 58 N -0.63 3.52 0.27 3.63 -4.23 -1.26 -4.60 115.64 112.34 1nkt s THR 58 Ca -0.04 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1nkt s THR 58 Cb -0.05 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.88 1nkt s THR 58 CO -0.00 -0.18 1.80 -0.07 -0.54 0.00 0.00 174.62 175.63 1nkt h LEU 59 N 1.28 0.76 -1.16 4.79 3.38 -1.98 0.50 115.31 122.89 1nkt h LEU 59 Ca -0.45 0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.65 1nkt h LEU 59 Cb 1.25 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1nkt h LEU 59 CO 0.59 0.37 0.58 0.44 0.09 0.00 0.00 178.44 180.52 1nkt h ASP 60 N 0.83 0.90 -0.08 -0.43 5.19 -1.99 0.12 116.42 120.96 1nkt h ASP 60 Ca 0.48 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.82 1nkt h ASP 60 Cb 0.56 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1nkt h ASP 60 CO -0.30 0.58 -0.16 0.44 -3.12 0.00 0.00 179.24 176.68 1nkt h ASP 61 N 1.03 0.44 0.38 6.45 3.32 -1.32 -3.12 116.42 123.59 1nkt h ASP 61 Ca 0.38 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1nkt h ASP 61 Cb 0.18 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1nkt h ASP 61 CO -0.14 0.63 -0.40 0.18 -1.72 0.00 0.00 179.24 177.79 1nkt n LEU 62 N -4.19 0.73 -0.11 1.55 4.77 0.06 -4.48 117.00 115.34 1nkt n LEU 62 Ca 0.00 -0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1nkt n LEU 62 Cb 0.34 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1nkt n LEU 62 CO 0.40 0.15 0.64 0.25 -1.33 0.00 0.00 177.39 177.51 1nkt h LEU 63 N 0.52 -1.06 0.07 2.23 6.46 -0.80 0.82 115.31 123.54 1nkt h LEU 63 Ca 0.00 0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1nkt h LEU 63 Cb 0.50 0.50 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1nkt h LEU 63 CO 0.00 -0.32 -0.12 -0.65 -0.62 0.00 0.00 178.44 176.73 1nkt h PRO 64 N -0.26 -0.23 -0.34 5.25 0.11 -1.82 -0.81 132.00 133.89 1nkt h PRO 64 Ca 0.16 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1nkt h PRO 64 Cb 0.54 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1nkt h PRO 64 CO -0.52 -0.15 0.22 0.93 -0.21 0.00 0.00 178.00 178.27 1nkt h GLU 65 N -0.24 0.45 -0.54 1.05 5.08 -1.79 -1.05 114.58 117.54 1nkt h GLU 65 Ca 0.02 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1nkt h GLU 65 Cb 0.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1nkt h GLU 65 CO -0.07 0.30 -0.12 0.00 -1.00 0.00 0.00 179.01 178.11 1nkt h ALA 66 N 1.13 0.75 -0.45 3.43 0.00 -0.66 -1.78 119.26 121.67 1nkt h ALA 66 Ca 0.13 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1nkt h ALA 66 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1nkt h ALA 66 CO -0.03 0.68 0.27 0.74 0.00 0.00 0.00 179.25 180.91 1nkt h PHE 67 N 0.92 0.51 -0.95 0.00 -1.00 -1.04 -1.03 116.94 114.36 1nkt h PHE 67 Ca 0.14 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.96 1nkt h PHE 67 Cb 0.70 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.04 1nkt h PHE 67 CO 0.05 0.30 0.62 0.00 -1.61 0.00 0.00 178.31 177.67 1nkt h ALA 68 N 1.19 1.37 -0.08 2.45 0.00 -0.74 0.19 119.26 123.64 1nkt h ALA 68 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nkt h ALA 68 Cb -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1nkt h ALA 68 CO -0.07 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 179.98 1nkt h VAL 69 N 1.22 1.31 -0.33 0.00 2.07 -1.16 -0.43 116.25 118.94 1nkt h VAL 69 Ca 0.37 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1nkt h VAL 69 Cb -0.05 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1nkt h VAL 69 CO -0.10 0.28 0.05 0.00 0.02 0.00 0.00 177.57 177.82 1nkt h ALA 70 N 0.65 1.48 -0.19 1.67 0.00 -0.65 0.51 119.26 122.72 1nkt h ALA 70 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1nkt h ALA 70 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nkt h ALA 70 CO 0.01 0.38 -0.27 -0.09 0.00 0.00 0.00 179.25 179.28 1nkt h ARG 71 N 0.48 0.52 -0.24 0.00 2.43 -0.44 -0.66 114.38 116.47 1nkt h ARG 71 Ca 0.11 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.87 1nkt h ARG 71 Cb 0.23 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1nkt h ARG 71 CO 0.00 0.90 -0.29 1.49 -1.51 0.00 0.00 179.97 180.56 1nkt h GLU 72 N 0.18 0.48 -0.07 0.20 4.57 -0.92 -2.68 114.58 116.35 1nkt h GLU 72 Ca 0.02 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1nkt h GLU 72 Cb 0.84 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1nkt h GLU 72 CO 0.06 0.72 0.03 0.00 -1.18 0.00 0.00 179.01 178.65 1nkt h ALA 73 N 1.27 0.09 -0.83 2.92 0.00 -0.60 -1.58 119.26 120.53 1nkt h ALA 73 Ca 0.06 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1nkt h ALA 73 Cb 0.72 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1nkt h ALA 73 CO 0.06 -0.33 0.43 0.00 0.00 0.00 0.00 179.25 179.41 1nkt h ALA 74 N 0.87 1.23 -0.40 0.00 0.00 -1.06 0.27 119.26 120.18 1nkt h ALA 74 Ca 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1nkt h ALA 74 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nkt h ALA 74 CO -0.00 -0.06 0.06 2.35 0.00 0.00 0.00 179.25 181.59 1nkt h TRP 75 N 0.64 0.71 -0.39 0.00 -0.00 -1.21 0.68 115.95 116.37 1nkt h TRP 75 Ca 0.44 -0.10 -0.13 0.00 -0.00 0.00 0.00 58.89 59.10 1nkt h TRP 75 Cb 0.59 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 1nkt h TRP 75 CO -0.09 0.70 -0.28 0.00 -0.00 0.00 0.00 178.44 178.77 1nkt h ARG 76 N 0.51 0.83 0.00 2.65 3.08 -0.26 -1.07 114.38 120.13 1nkt h ARG 76 Ca 0.12 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1nkt h ARG 76 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1nkt h ARG 76 CO 0.01 1.01 -0.40 0.28 -1.07 0.00 0.00 179.97 179.79 1nkt h VAL 77 N 0.71 0.84 0.00 2.04 2.07 -0.27 -3.39 116.25 118.25 1nkt h VAL 77 Ca 0.08 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1nkt h VAL 77 Cb 0.82 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1nkt h VAL 77 CO 0.07 0.29 -0.83 0.18 0.02 0.00 0.00 177.57 177.30 1nkt n LEU 78 N -4.61 0.72 -1.80 2.57 4.32 0.23 -4.93 117.00 113.52 1nkt n LEU 78 Ca -0.13 0.21 -0.15 0.00 -0.02 0.00 0.00 56.01 55.92 1nkt n LEU 78 Cb 0.38 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1nkt n LEU 78 CO 0.18 -0.07 -0.15 0.47 -1.22 0.00 0.00 177.39 176.60 1nkt n ASP 79 N -2.25 -4.55 -3.74 -1.43 8.00 -0.40 -5.01 116.55 107.16 1nkt n ASP 79 Ca 0.02 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 1nkt n ASP 79 Cb 0.47 -3.63 -0.16 0.00 -0.02 0.00 0.00 41.12 37.78 1nkt n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nkt s GLN 80 N -4.87 -0.02 -0.27 -1.24 -2.07 -1.25 -5.00 119.66 104.94 1nkt s GLN 80 Ca 0.05 0.27 -0.09 0.00 -1.82 0.00 0.00 55.36 53.77 1nkt s GLN 80 Cb -0.02 -0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 31.58 1nkt s GLN 80 CO 0.06 -0.20 0.13 0.50 -1.32 0.00 0.00 175.29 174.46 1nkt s ARG 81 N 1.33 3.80 -0.05 9.60 3.52 -1.26 -2.98 118.95 132.90 1nkt s ARG 81 Ca -0.06 -0.40 -0.40 0.00 -0.13 0.00 0.00 55.73 54.74 1nkt s ARG 81 Cb -0.13 -3.50 -0.19 0.00 -1.56 0.00 0.00 34.95 29.58 1nkt s ARG 81 CO -0.04 -0.19 1.24 -2.30 -0.81 0.00 0.00 175.30 173.21 1nkt n PRO 82 N 4.99 0.36 -1.30 5.12 -0.02 -1.26 -4.90 135.00 137.99 1nkt n PRO 82 Ca -0.15 0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 1nkt n PRO 82 Cb 0.52 -1.68 0.10 0.00 -0.02 0.00 0.00 33.50 32.42 1nkt n PRO 82 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1nkt s PHE 83 N 0.69 2.60 0.35 6.00 0.08 -1.26 -4.79 117.98 121.65 1nkt s PHE 83 Ca 0.91 1.45 0.16 0.00 0.12 0.00 0.00 56.93 59.57 1nkt s PHE 83 Cb -1.21 -3.06 1.09 0.00 -0.57 0.00 0.00 43.02 39.27 1nkt s PHE 83 CO 0.58 -1.86 1.69 -0.44 -0.10 0.00 0.00 175.22 175.09 1nkt h ASP 84 N -1.17 0.51 0.83 1.36 5.19 -1.98 0.30 116.42 121.47 1nkt h ASP 84 Ca -0.45 0.16 -0.18 0.00 -0.62 0.00 0.00 57.03 55.94 1nkt h ASP 84 Cb 1.24 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.83 1nkt h ASP 84 CO 0.53 -0.07 -0.87 -0.37 -3.12 0.00 0.00 179.24 175.34 1nkt h VAL 85 N 0.36 1.61 -0.45 -1.35 -1.51 -1.90 -1.85 116.25 111.16 1nkt h VAL 85 Ca 0.71 -2.93 -0.03 0.00 -1.23 0.00 0.00 66.70 63.22 1nkt h VAL 85 Cb 1.66 2.59 -0.02 0.00 -2.13 0.00 0.00 31.29 33.39 1nkt h VAL 85 CO -0.52 0.84 0.16 1.56 -1.23 0.00 0.00 177.57 178.37 1nkt h GLN 86 N 0.01 0.65 -0.10 5.19 4.20 -1.30 -0.98 115.11 122.78 1nkt h GLN 86 Ca -0.01 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1nkt h GLN 86 Cb 1.53 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 1nkt h GLN 86 CO 0.12 0.55 -0.60 0.28 -0.67 0.00 0.00 178.83 178.50 1nkt h VAL 87 N 0.64 1.37 0.02 -0.54 2.07 -0.99 0.66 116.25 119.49 1nkt h VAL 87 Ca 0.15 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 1nkt h VAL 87 Cb 0.16 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1nkt h VAL 87 CO -0.01 0.58 -0.01 0.24 0.02 0.00 0.00 177.57 178.39 1nkt h MET 88 N 0.25 -0.03 -0.23 1.57 2.86 -0.90 -2.36 114.93 116.09 1nkt h MET 88 Ca -0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1nkt h MET 88 Cb 1.13 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 1nkt h MET 88 CO 0.10 0.09 -0.04 0.78 1.06 0.00 0.00 176.91 178.89 1nkt h GLY 89 N -0.14 0.18 -0.62 8.32 0.00 -0.98 -1.82 103.07 108.01 1nkt h GLY 89 Ca -0.00 0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.56 1nkt h GLY 89 CO 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 176.54 176.30 1nkt h ALA 90 N 1.23 0.60 -0.21 3.60 0.00 -0.83 -0.66 119.26 122.99 1nkt h ALA 90 Ca 0.11 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 1nkt h ALA 90 Cb 0.17 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1nkt h ALA 90 CO -0.23 -0.41 -0.50 0.00 0.00 0.00 0.00 179.25 178.10 1nkt h ALA 91 N 1.81 0.73 -0.64 0.00 0.00 -0.82 -1.35 119.26 118.99 1nkt h ALA 91 Ca 0.40 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nkt h ALA 91 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1nkt h ALA 91 CO -0.83 0.68 0.43 0.00 0.00 0.00 0.00 179.25 179.53 1nkt h ALA 92 N 1.00 0.82 -0.88 0.00 0.00 -0.48 -1.74 119.26 117.98 1nkt h ALA 92 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nkt h ALA 92 Cb 1.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1nkt h ALA 92 CO 0.10 0.25 0.48 -0.07 0.00 0.00 0.00 179.25 180.01 1nkt h LEU 93 N 0.87 1.09 -1.53 0.00 3.38 -0.70 -1.41 115.31 117.01 1nkt h LEU 93 Ca 0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1nkt h LEU 93 Cb -0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 1nkt h LEU 93 CO -0.05 0.87 -0.22 -0.74 0.09 0.00 0.00 178.44 178.39 1nkt h HIS 94 N 1.23 0.01 -0.01 1.13 2.76 -0.73 -2.35 115.15 117.20 1nkt h HIS 94 Ca 0.31 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1nkt h HIS 94 Cb 0.02 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1nkt h HIS 94 CO 0.01 0.24 0.00 1.28 -1.30 0.00 0.00 177.93 178.16 1nkt n LEU 95 N -4.27 0.73 -0.30 0.26 4.77 -0.58 -4.90 117.00 112.71 1nkt n LEU 95 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1nkt n LEU 95 Cb 0.28 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1nkt n LEU 95 CO 0.37 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nkt n GLY 96 N 1.08 0.92 3.66 -0.72 0.00 -0.88 -5.07 105.19 104.18 1nkt n GLY 96 Ca 0.21 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1nkt n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nkt s ASN 97 N -2.77 3.99 -0.26 1.61 0.01 -0.90 -4.39 114.94 112.24 1nkt s ASN 97 Ca 0.00 -1.38 -0.22 0.00 -0.71 0.00 0.00 52.86 50.55 1nkt s ASN 97 Cb 0.00 -0.25 -0.01 0.00 0.41 0.00 0.00 41.25 41.39 1nkt s ASN 97 CO 0.00 -0.53 0.70 -0.69 -1.51 0.00 0.00 177.10 175.07 1nkt s VAL 98 N -2.72 4.92 -0.52 1.60 1.01 0.52 -2.67 120.40 122.54 1nkt s VAL 98 Ca 0.31 1.26 -0.26 0.00 0.00 0.00 0.00 61.98 63.29 1nkt s VAL 98 Cb 0.08 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1nkt s VAL 98 CO 0.16 -0.03 1.04 0.00 0.00 0.00 0.00 175.10 176.27 1nkt s ALA 99 N 2.64 3.14 -0.56 5.51 0.00 -0.49 -0.74 121.76 131.26 1nkt s ALA 99 Ca 0.29 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 1nkt s ALA 99 Cb -0.15 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.18 1nkt s ALA 99 CO 0.08 -2.35 1.22 -2.00 0.00 0.00 0.00 175.76 172.72 1nkt s GLU 100 N 4.25 3.52 -0.14 0.00 2.12 0.33 -2.63 118.70 126.15 1nkt s GLU 100 Ca 0.38 0.34 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1nkt s GLU 100 Cb -0.10 -4.02 0.02 0.00 0.26 0.00 0.00 34.13 30.30 1nkt s GLU 100 CO 0.25 -1.67 -0.13 -1.64 -0.54 0.00 0.00 175.26 171.52 1nkt s MET 101 N 4.97 2.20 0.75 4.30 -1.94 0.12 -1.98 119.30 127.71 1nkt s MET 101 Ca 0.46 -0.52 -0.16 0.00 -1.71 0.00 0.00 55.69 53.75 1nkt s MET 101 Cb -0.08 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 1nkt s MET 101 CO 0.26 -0.22 0.41 1.63 -0.01 0.00 0.00 175.02 177.09 1nkt n LYS 102 N 4.73 0.21 -1.64 2.03 4.76 -1.26 -2.88 118.16 124.11 1nkt n LYS 102 Ca -0.17 0.11 -0.58 0.00 -2.87 0.00 0.00 58.31 54.80 1nkt n LYS 102 Cb 0.50 -1.74 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1nkt n LYS 102 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1nkt n THR 103 N -2.46 0.10 -0.10 -0.18 -1.04 -1.26 -1.85 114.28 107.48 1nkt n THR 103 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1nkt n THR 103 Cb 0.50 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1nkt n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nkt n GLY 104 N 3.12 0.59 0.06 3.41 0.00 -1.26 -4.72 105.19 106.39 1nkt n GLY 104 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1nkt n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nkt n GLU 105 N -2.01 0.17 -0.67 1.61 -0.58 -0.77 -4.64 120.64 113.75 1nkt n GLU 105 Ca 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1nkt n GLU 105 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1nkt n GLU 105 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nkt n GLY 106 N 1.38 0.79 0.29 0.62 0.00 -1.26 -4.83 105.19 102.18 1nkt n GLY 106 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 1nkt n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt h LYS 107 N 0.00 0.89 -0.09 1.61 1.57 -1.92 -2.17 116.57 116.46 1nkt h LYS 107 Ca 0.00 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1nkt h LYS 107 Cb 0.41 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1nkt h LYS 107 CO 0.00 0.90 -0.10 1.15 -0.57 0.00 0.00 179.45 180.83 1nkt h THR 108 N 0.82 0.72 -0.01 -0.16 2.02 -2.00 -2.17 112.91 112.12 1nkt h THR 108 Ca 0.15 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.17 1nkt h THR 108 Cb 0.52 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1nkt h THR 108 CO 0.03 0.00 -0.74 0.25 0.37 0.00 0.00 175.52 175.42 1nkt h LEU 109 N -0.13 0.10 -0.68 2.58 5.85 -1.97 -3.26 115.31 117.79 1nkt h LEU 109 Ca 0.07 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1nkt h LEU 109 Cb 0.23 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1nkt h LEU 109 CO -0.17 0.81 0.41 0.74 -0.34 0.00 0.00 178.44 179.88 1nkt h THR 110 N 0.05 1.04 -1.00 1.05 2.02 -0.81 -1.82 112.91 113.44 1nkt h THR 110 Ca -0.02 -0.27 0.35 0.00 0.77 0.00 0.00 66.41 67.24 1nkt h THR 110 Cb 1.31 0.19 -0.16 0.00 -1.74 0.00 0.00 68.15 67.75 1nkt h THR 110 CO 0.10 0.14 0.55 0.00 0.37 0.00 0.00 175.52 176.68 1nkt h VAL 112 N 0.23 1.11 0.35 0.00 2.07 -1.46 -2.12 116.25 116.43 1nkt h VAL 112 Ca 0.76 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 1nkt h VAL 112 Cb 1.82 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1nkt h VAL 112 CO -0.66 0.19 -0.17 -0.07 0.02 0.00 0.00 177.57 176.89 1nkt h LEU 113 N 1.06 -0.39 -1.49 2.57 4.07 -1.71 0.10 115.31 119.53 1nkt h LEU 113 Ca 0.36 -0.15 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1nkt h LEU 113 Cb 0.10 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1nkt h LEU 113 CO -0.12 -0.03 -0.20 1.55 -1.08 0.00 0.00 178.44 178.55 1nkt h PRO 114 N -0.80 0.00 0.11 1.13 0.13 -1.74 -1.78 132.00 129.05 1nkt h PRO 114 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1nkt h PRO 114 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1nkt h PRO 114 CO 0.08 0.20 -0.05 0.00 -0.23 0.00 0.00 178.00 178.00 1nkt h ALA 115 N 1.80 -0.15 -0.10 -0.56 0.00 -1.26 -0.47 119.26 118.51 1nkt h ALA 115 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1nkt h ALA 115 Cb 0.56 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1nkt h ALA 115 CO 0.03 -0.37 -0.44 -0.92 0.00 0.00 0.00 179.25 177.55 1nkt h TYR 116 N -0.58 -1.27 -0.33 0.00 3.20 -0.85 -0.08 116.97 117.07 1nkt h TYR 116 Ca -0.02 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1nkt h TYR 116 Cb 0.46 0.57 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 1nkt h TYR 116 CO 0.06 -0.50 -0.08 1.25 -1.64 0.00 0.00 178.16 177.26 1nkt h LEU 117 N -0.53 -0.30 -0.65 2.82 5.85 -1.34 -2.15 115.31 119.02 1nkt h LEU 117 Ca 0.06 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1nkt h LEU 117 Cb 0.65 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1nkt h LEU 117 CO -0.38 -0.11 -0.00 0.78 -0.34 0.00 0.00 178.44 178.39 1nkt h ASN 118 N 0.00 0.00 0.42 1.25 4.21 -0.93 -2.91 115.58 117.61 1nkt h ASN 118 Ca 0.16 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.55 1nkt h ASN 118 Cb 0.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1nkt h ASN 118 CO -0.33 0.00 -0.50 0.00 -1.29 0.00 0.00 177.43 175.31 1nkt h ALA 119 N 2.00 1.10 -0.73 -0.83 0.00 -0.37 -2.88 119.26 117.54 1nkt h ALA 119 Ca -0.00 -0.46 0.21 0.00 0.00 0.00 0.00 54.91 54.66 1nkt h ALA 119 Cb 0.79 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1nkt h ALA 119 CO 0.00 0.64 0.58 -0.07 0.00 0.00 0.00 179.25 180.40 1nkt h LEU 120 N 0.08 0.00 -0.03 0.00 3.38 -1.25 0.15 115.31 117.64 1nkt h LEU 120 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nkt h LEU 120 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1nkt h LEU 120 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1nkt n ALA 121 N -2.60 1.61 -1.25 1.53 0.00 -1.09 -4.78 120.51 113.93 1nkt n ALA 121 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1nkt n ALA 121 Cb 0.85 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1nkt n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 122 N -0.11 1.01 0.45 0.00 0.00 0.51 -4.94 105.19 102.11 1nkt n GLY 122 Ca 0.03 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1nkt n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nkt n ASN 123 N 0.12 1.86 0.00 1.61 5.03 -1.26 -5.09 115.26 117.53 1nkt n ASN 123 Ca -0.09 -1.43 0.00 0.00 0.87 0.00 0.00 54.58 53.93 1nkt n ASN 123 Cb 0.33 0.46 0.00 0.00 -1.02 0.00 0.00 39.78 39.55 1nkt n ASN 123 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nkt n GLY 124 N 1.28 0.28 2.90 7.41 0.00 -1.26 -4.82 105.19 110.98 1nkt n GLY 124 Ca 0.08 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 1nkt n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkt s VAL 125 N -2.77 0.57 -0.22 1.61 1.01 -0.99 -4.09 120.40 115.52 1nkt s VAL 125 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1nkt s VAL 125 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1nkt s VAL 125 CO 0.00 0.23 0.11 -1.00 0.00 0.00 0.00 175.10 174.45 1nkt s HIS 126 N 0.92 3.26 -0.22 5.22 3.76 0.23 -0.63 115.29 127.83 1nkt s HIS 126 Ca -0.11 0.09 -0.08 0.00 -0.15 0.00 0.00 55.06 54.81 1nkt s HIS 126 Cb -0.14 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 1nkt s HIS 126 CO 0.00 0.04 0.09 0.42 -0.85 0.00 0.00 174.74 174.44 1nkt s ILE 127 N 0.89 4.69 -0.21 0.60 -1.09 -0.08 -0.44 121.20 125.55 1nkt s ILE 127 Ca 0.06 -0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.35 1nkt s ILE 127 Cb -0.13 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1nkt s ILE 127 CO 0.03 0.38 0.06 -0.69 -1.23 0.00 0.00 174.94 173.49 1nkt s VAL 128 N 1.09 4.52 0.44 2.92 1.01 -0.29 -1.32 120.40 128.77 1nkt s VAL 128 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1nkt s VAL 128 Cb -0.14 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1nkt s VAL 128 CO 0.04 0.40 0.07 0.35 0.00 0.00 0.00 175.10 175.96 1nkt n THR 129 N 4.19 0.00 0.02 3.92 -2.24 -0.32 -0.51 114.28 119.34 1nkt n THR 129 Ca -0.16 -2.03 -0.02 0.00 -2.27 0.00 0.00 64.05 59.57 1nkt n THR 129 Cb 0.52 0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.97 1nkt n THR 129 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nkt h VAL 130 N 1.11 0.60 -4.01 2.28 2.07 -1.86 -3.37 116.25 113.06 1nkt h VAL 130 Ca -0.35 -2.17 -0.13 0.00 0.82 0.00 0.00 66.70 64.87 1nkt h VAL 130 Cb 1.10 2.14 -0.12 0.00 -1.52 0.00 0.00 31.29 32.89 1nkt h VAL 130 CO 0.58 0.34 -0.32 0.54 0.02 0.00 0.00 177.57 178.73 1nkt s ASN 131 N -5.88 0.01 0.15 0.57 2.20 -1.26 -4.92 114.94 105.80 1nkt s ASN 131 Ca -0.03 -1.09 -0.14 0.00 -0.94 0.00 0.00 52.86 50.66 1nkt s ASN 131 Cb 0.08 0.50 0.04 0.00 -2.00 0.00 0.00 41.25 39.87 1nkt s ASN 131 CO 0.81 -1.01 1.73 0.44 -2.94 0.00 0.00 177.10 176.13 1nkt h ASP 132 N 2.41 0.65 -0.31 3.54 5.19 -1.94 -1.50 116.42 124.46 1nkt h ASP 132 Ca -0.30 -0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.04 1nkt h ASP 132 Cb 1.25 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.52 1nkt h ASP 132 CO 0.43 0.60 -0.12 0.22 -3.12 0.00 0.00 179.24 177.25 1nkt h TYR 133 N 0.65 -0.29 -0.24 4.55 3.20 -1.99 0.32 116.97 123.17 1nkt h TYR 133 Ca 0.17 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1nkt h TYR 133 Cb 0.13 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1nkt h TYR 133 CO -0.01 -0.19 -0.30 -0.07 -1.64 0.00 0.00 178.16 175.95 1nkt h LEU 134 N -0.07 0.49 -0.03 2.82 3.38 -1.87 0.48 115.31 120.51 1nkt h LEU 134 Ca 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1nkt h LEU 134 Cb 0.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nkt h LEU 134 CO -0.36 0.77 -0.01 0.00 0.09 0.00 0.00 178.44 178.93 1nkt h ALA 135 N 1.26 0.04 -0.42 1.53 0.00 -0.89 -0.98 119.26 119.81 1nkt h ALA 135 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nkt h ALA 135 Cb 0.74 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1nkt h ALA 135 CO 0.06 -0.25 0.09 -0.22 0.00 0.00 0.00 179.25 178.93 1nkt h LYS 136 N -0.31 0.22 -0.58 0.00 3.64 -0.81 -1.83 116.57 116.90 1nkt h LYS 136 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1nkt h LYS 136 Cb 0.41 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1nkt h LYS 136 CO 0.00 0.14 -0.02 0.07 -2.27 0.00 0.00 179.45 177.38 1nkt h ARG 137 N 0.22 1.02 -0.14 1.90 -0.00 -0.72 -2.00 114.38 114.66 1nkt h ARG 137 Ca 0.20 -0.32 -0.02 0.00 -0.00 0.00 0.00 59.98 59.84 1nkt h ARG 137 Cb 0.24 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.11 1nkt h ARG 137 CO -0.26 1.01 0.02 -0.44 -0.00 0.00 0.00 179.97 180.30 1nkt h ASP 138 N 0.93 0.22 -0.79 0.08 3.32 -1.07 0.92 116.42 120.03 1nkt h ASP 138 Ca 0.16 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 56.99 1nkt h ASP 138 Cb 0.56 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 1nkt h ASP 138 CO 0.03 0.44 0.52 0.77 -1.72 0.00 0.00 179.24 179.27 1nkt h SER 139 N 0.00 0.78 0.18 6.45 4.64 -1.28 0.24 113.55 124.57 1nkt h SER 139 Ca 0.04 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.11 1nkt h SER 139 Cb 0.31 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1nkt h SER 139 CO 0.00 0.52 -1.04 -0.33 -0.87 0.00 0.00 176.83 175.11 1nkt h GLU 140 N 0.90 0.56 0.07 4.77 5.08 -1.17 -1.56 114.58 123.23 1nkt h GLU 140 Ca 0.33 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1nkt h GLU 140 Cb 0.16 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1nkt h GLU 140 CO -0.11 1.24 -0.04 2.35 -1.00 0.00 0.00 179.01 181.46 1nkt h TRP 141 N 0.30 -0.09 0.00 4.33 7.01 -0.32 -3.28 115.95 123.90 1nkt h TRP 141 Ca -0.12 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.82 1nkt h TRP 141 Cb 1.69 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.77 1nkt h TRP 141 CO 0.09 -0.06 -0.28 0.52 -2.79 0.00 0.00 178.44 175.91 1nkt h MET 142 N -0.78 0.00 -0.88 2.65 2.86 -0.73 -2.57 114.93 115.48 1nkt h MET 142 Ca -0.01 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.87 1nkt h MET 142 Cb 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1nkt h MET 142 CO 0.02 0.28 0.62 0.78 1.06 0.00 0.00 176.91 179.67 1nkt h GLY 143 N 0.98 0.29 0.99 8.32 0.00 -1.31 0.29 103.07 112.63 1nkt h GLY 143 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1nkt h GLY 143 CO 0.04 -0.01 0.49 3.21 0.00 0.00 0.00 176.54 180.27 1nkt h ARG 144 N 0.13 0.96 0.02 4.80 3.08 -1.51 0.10 114.38 121.95 1nkt h ARG 144 Ca 0.43 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 1nkt h ARG 144 Cb 1.51 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1nkt h ARG 144 CO -0.06 0.64 -0.01 0.28 -1.07 0.00 0.00 179.97 179.75 1nkt h VAL 145 N 0.99 1.22 -0.42 2.04 2.07 -0.61 -2.27 116.25 119.27 1nkt h VAL 145 Ca 0.28 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1nkt h VAL 145 Cb -0.10 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1nkt h VAL 145 CO -0.07 0.19 0.22 0.45 0.02 0.00 0.00 177.57 178.38 1nkt h HIS 146 N -0.33 0.41 -0.66 1.57 3.86 -1.26 -2.02 115.15 116.72 1nkt h HIS 146 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1nkt h HIS 146 Cb 0.32 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1nkt h HIS 146 CO 0.03 0.22 0.33 0.00 0.86 0.00 0.00 177.93 179.37 1nkt h ARG 147 N 0.45 0.92 -0.97 2.45 3.08 -0.81 -0.28 114.38 119.22 1nkt h ARG 147 Ca 0.18 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1nkt h ARG 147 Cb 0.07 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 1nkt h ARG 147 CO -0.11 0.70 0.64 0.35 -1.07 0.00 0.00 179.97 180.48 1nkt h PHE 148 N 0.92 1.21 -0.10 3.04 3.04 -1.03 -1.06 116.94 122.95 1nkt h PHE 148 Ca 0.23 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.21 1nkt h PHE 148 Cb 0.07 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 38.18 1nkt h PHE 148 CO 0.01 0.73 0.00 1.28 -2.02 0.00 0.00 178.31 178.31 1nkt n LEU 149 N -4.43 0.73 0.00 0.59 4.77 -0.77 -4.68 117.00 113.21 1nkt n LEU 149 Ca 0.12 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1nkt n LEU 149 Cb 0.05 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nkt n LEU 149 CO 0.36 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1nkt n GLY 150 N 0.58 0.87 3.82 -0.72 0.00 -0.40 -4.69 105.19 104.65 1nkt n GLY 150 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1nkt n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkt s LEU 151 N 0.00 3.84 0.01 0.99 1.43 -0.19 -4.95 118.68 119.82 1nkt s LEU 151 Ca 0.00 1.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 1nkt s LEU 151 Cb 0.00 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 1nkt s LEU 151 CO 0.00 -0.56 0.33 -1.10 0.23 0.00 0.00 176.35 175.25 1nkt s GLN 152 N -3.39 3.71 -0.06 1.70 -1.52 -1.26 -3.40 119.66 115.43 1nkt s GLN 152 Ca 0.63 0.12 0.02 0.00 -1.95 0.00 0.00 55.36 54.19 1nkt s GLN 152 Cb -0.12 -3.10 0.01 0.00 -0.22 0.00 0.00 33.01 29.59 1nkt s GLN 152 CO 0.19 0.65 -0.13 0.08 -0.25 0.00 0.00 175.29 175.83 1nkt s VAL 153 N -1.24 1.17 0.20 1.09 1.01 -1.26 -0.41 120.40 120.95 1nkt s VAL 153 Ca 0.27 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1nkt s VAL 153 Cb -0.14 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1nkt s VAL 153 CO 0.15 0.36 -0.19 -0.83 0.00 0.00 0.00 175.10 174.59 1nkt s GLY 154 N 0.60 1.56 0.05 4.51 0.00 0.12 -4.99 107.32 109.18 1nkt s GLY 154 Ca -0.14 -1.63 0.08 0.00 0.00 0.00 0.00 44.72 43.03 1nkt s GLY 154 CO 0.04 -1.69 -0.22 0.14 0.00 0.00 0.00 173.10 171.37 1nkt s VAL 155 N -2.27 2.52 -0.11 1.40 1.01 -1.26 0.09 120.40 121.78 1nkt s VAL 155 Ca 0.21 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1nkt s VAL 155 Cb -0.05 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1nkt s VAL 155 CO 0.09 0.31 0.07 0.27 0.00 0.00 0.00 175.10 175.84 1nkt s ILE 156 N -0.91 4.88 0.14 2.22 -4.36 0.05 -4.84 121.20 118.39 1nkt s ILE 156 Ca 0.14 -0.03 0.05 0.00 -0.26 0.00 0.00 60.65 60.55 1nkt s ILE 156 Cb -0.10 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.46 1nkt s ILE 156 CO 0.04 0.59 -0.12 -0.76 0.24 0.00 0.00 174.94 174.94 1nkt s LEU 157 N -0.77 2.49 0.35 0.37 1.43 -1.26 -4.52 118.68 116.77 1nkt s LEU 157 Ca 0.13 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1nkt s LEU 157 Cb -0.12 -0.45 0.72 0.00 0.03 0.00 0.00 46.19 46.38 1nkt s LEU 157 CO 0.03 -0.25 1.93 0.00 0.23 0.00 0.00 176.35 178.29 1nkt h ALA 158 N 3.02 1.70 -0.00 4.21 0.00 -1.99 -2.70 119.26 123.50 1nkt h ALA 158 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1nkt h ALA 158 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1nkt h ALA 158 CO 0.59 0.16 -0.00 0.25 0.00 0.00 0.00 179.25 180.24 1nkt n THR 159 N -4.50 0.00 -3.17 0.00 -2.24 -1.26 -4.91 114.28 98.20 1nkt n THR 159 Ca 0.13 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 1nkt n THR 159 Cb 0.28 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 1nkt n THR 159 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1nkt s MET 160 N -2.24 4.32 0.83 -0.78 -1.94 -1.02 -5.07 119.30 113.39 1nkt s MET 160 Ca 0.40 0.88 -0.11 0.00 -1.71 0.00 0.00 55.69 55.14 1nkt s MET 160 Cb 0.21 -3.22 0.09 0.00 2.01 0.00 0.00 34.83 33.93 1nkt s MET 160 CO 0.41 0.60 1.09 0.95 -0.01 0.00 0.00 175.02 178.06 1nkt s THR 161 N -1.16 3.02 0.19 2.05 -4.23 -1.26 -4.81 115.64 109.43 1nkt s THR 161 Ca 0.32 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 61.04 1nkt s THR 161 Cb -0.20 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.87 1nkt s THR 161 CO 0.22 -0.43 1.73 -0.65 -0.54 0.00 0.00 174.62 174.94 1nkt h PRO 162 N -1.29 0.29 -0.38 3.99 0.11 -1.97 -0.56 132.00 132.19 1nkt h PRO 162 Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1nkt h PRO 162 Cb 1.26 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1nkt h PRO 162 CO 0.55 0.19 0.04 -0.44 -0.21 0.00 0.00 178.00 178.13 1nkt h ASP 163 N 0.30 -0.07 -0.70 -2.05 5.19 -1.95 -0.49 116.42 116.65 1nkt h ASP 163 Ca 0.26 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1nkt h ASP 163 Cb 0.33 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 1nkt h ASP 163 CO -0.31 0.00 0.43 -0.33 -3.12 0.00 0.00 179.24 175.92 1nkt h GLU 164 N 0.15 0.94 -0.77 3.56 5.08 -1.79 -2.35 114.58 119.41 1nkt h GLU 164 Ca 0.19 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1nkt h GLU 164 Cb 0.24 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1nkt h GLU 164 CO -0.27 0.66 0.31 0.00 -1.00 0.00 0.00 179.01 178.71 1nkt h ARG 165 N 0.95 1.14 -0.38 2.33 3.08 -0.57 -2.40 114.38 118.53 1nkt h ARG 165 Ca 0.25 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1nkt h ARG 165 Cb -0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 1nkt h ARG 165 CO -0.05 0.92 0.21 -0.09 -1.07 0.00 0.00 179.97 179.89 1nkt h ARG 166 N 1.12 0.41 -0.15 0.04 2.43 -0.58 0.27 114.38 117.91 1nkt h ARG 166 Ca 0.26 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1nkt h ARG 166 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1nkt h ARG 166 CO -0.02 0.27 0.05 0.28 -1.51 0.00 0.00 179.97 179.04 1nkt h VAL 167 N 0.42 0.97 -0.63 0.20 2.07 -1.35 -1.00 116.25 116.93 1nkt h VAL 167 Ca 0.15 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1nkt h VAL 167 Cb 0.03 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1nkt h VAL 167 CO -0.09 0.02 0.37 0.00 0.02 0.00 0.00 177.57 177.90 1nkt h ALA 168 N 1.09 0.83 0.00 1.67 0.00 -0.78 0.62 119.26 122.68 1nkt h ALA 168 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nkt h ALA 168 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nkt h ALA 168 CO -0.06 0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1nkt n TYR 169 N -4.75 0.42 0.45 0.00 4.01 0.84 -2.37 117.16 115.76 1nkt n TYR 169 Ca 0.07 0.16 0.12 0.00 -0.16 0.00 0.00 57.90 58.09 1nkt n TYR 169 Cb 0.11 -0.76 0.06 0.00 -0.31 0.00 0.00 39.34 38.44 1nkt n TYR 169 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nkt n ASN 170 N -1.88 0.67 -4.34 7.72 3.02 0.16 -4.76 115.26 115.86 1nkt n ASN 170 Ca 0.03 0.03 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 1nkt n ASN 170 Cb 0.20 0.53 0.18 0.00 -0.61 0.00 0.00 39.78 40.08 1nkt n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nkt n ALA 171 N -1.92 -3.66 0.10 5.41 0.00 -0.89 -4.93 120.51 114.62 1nkt n ALA 171 Ca 0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 53.44 52.28 1nkt n ALA 171 Cb 0.47 -1.65 0.02 0.00 0.00 0.00 0.00 19.45 18.29 1nkt n ALA 171 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nkt h ASP 172 N -2.07 0.00 -3.67 0.00 3.32 -1.05 -3.44 116.42 109.51 1nkt h ASP 172 Ca -0.53 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.16 1nkt h ASP 172 Cb 1.34 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.58 1nkt h ASP 172 CO 0.39 0.79 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.31 1nkt s ILE 173 N -3.10 0.41 -0.15 0.35 1.01 -1.05 -2.35 121.20 116.33 1nkt s ILE 173 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1nkt s ILE 173 Cb 0.11 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.19 1nkt s ILE 173 CO 0.79 0.16 -0.13 -0.89 0.00 0.00 0.00 174.94 174.87 1nkt s THR 174 N 0.47 1.52 0.32 2.92 2.01 0.20 0.16 115.64 123.24 1nkt s THR 174 Ca -0.05 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.19 1nkt s THR 174 Cb -0.09 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.89 1nkt s THR 174 CO -0.00 0.43 0.71 -0.31 -0.69 0.00 0.00 174.62 174.76 1nkt s TYR 175 N 1.50 3.40 -0.69 4.92 1.51 0.11 -0.90 117.35 127.20 1nkt s TYR 175 Ca 0.05 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.24 1nkt s TYR 175 Cb -0.13 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1nkt s TYR 175 CO -0.10 0.09 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1nkt n GLY 176 N -0.48 -1.33 3.98 0.71 0.00 -0.44 -0.77 105.19 106.86 1nkt n GLY 176 Ca 0.03 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 1nkt n GLY 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nkt s THR 177 N -2.06 3.84 0.41 2.61 -4.23 -1.26 -1.17 115.64 113.78 1nkt s THR 177 Ca 0.00 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1nkt s THR 177 Cb 0.00 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.72 1nkt s THR 177 CO 0.00 -0.17 2.02 -0.55 -0.54 0.00 0.00 174.62 175.38 1nkt h ASN 178 N 0.70 0.39 0.72 3.99 7.08 -1.92 -1.32 115.58 125.22 1nkt h ASN 178 Ca -0.45 -0.03 -0.03 0.00 -3.08 0.00 0.00 56.30 52.71 1nkt h ASN 178 Cb 1.26 -0.10 -0.01 0.00 -2.08 0.00 0.00 38.32 37.40 1nkt h ASN 178 CO 0.53 0.35 -0.47 -1.13 -2.08 0.00 0.00 177.43 174.62 1nkt h ASN 179 N 0.44 -1.21 -0.36 6.14 -1.24 -1.94 -0.88 115.58 116.53 1nkt h ASN 179 Ca 0.11 0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.25 1nkt h ASN 179 Cb 0.07 0.36 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 1nkt h ASN 179 CO -0.01 -0.71 0.05 -0.33 -1.29 0.00 0.00 177.43 175.14 1nkt h GLU 180 N -1.12 0.16 -0.11 6.67 4.39 -1.91 -0.33 114.58 122.34 1nkt h GLU 180 Ca -0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1nkt h GLU 180 Cb 0.91 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1nkt h GLU 180 CO 0.08 0.11 0.06 0.74 -1.16 0.00 0.00 179.01 178.84 1nkt h PHE 181 N 0.17 0.15 -0.37 4.33 0.04 -1.15 -1.90 116.94 118.20 1nkt h PHE 181 Ca 0.17 -0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 1nkt h PHE 181 Cb 0.21 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1nkt h PHE 181 CO -0.20 0.16 -0.40 0.78 -0.60 0.00 0.00 178.31 178.05 1nkt h GLY 182 N 0.10 1.00 1.30 -1.45 0.00 -1.10 -1.33 103.07 101.59 1nkt h GLY 182 Ca 0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.28 1nkt h GLY 182 CO -0.01 0.93 0.09 0.74 0.00 0.00 0.00 176.54 178.29 1nkt h PHE 183 N 0.74 0.91 -0.05 5.60 0.04 -0.99 -0.03 116.94 123.15 1nkt h PHE 183 Ca 0.06 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 1nkt h PHE 183 Cb 0.99 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1nkt h PHE 183 CO 0.06 0.78 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.79 1nkt h ASP 184 N 0.82 0.10 -0.64 2.17 3.32 -1.18 0.34 116.42 121.35 1nkt h ASP 184 Ca 0.17 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1nkt h ASP 184 Cb 0.37 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1nkt h ASP 184 CO 0.01 0.43 0.04 0.22 -1.72 0.00 0.00 179.24 178.22 1nkt h TYR 185 N 0.09 1.19 -0.08 4.55 3.20 -0.46 -1.70 116.97 123.75 1nkt h TYR 185 Ca 0.01 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 1nkt h TYR 185 Cb 0.63 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1nkt h TYR 185 CO 0.00 1.02 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.24 1nkt h LEU 186 N 1.01 0.35 -1.10 2.82 3.38 -0.06 -2.78 115.31 118.93 1nkt h LEU 186 Ca 0.19 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1nkt h LEU 186 Cb 0.52 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1nkt h LEU 186 CO 0.02 0.89 0.61 0.03 0.09 0.00 0.00 178.44 180.08 1nkt h ARG 187 N -0.17 1.17 -0.98 1.13 3.08 -0.39 -2.37 114.38 115.85 1nkt h ARG 187 Ca -0.01 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1nkt h ARG 187 Cb 0.86 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1nkt h ARG 187 CO 0.05 0.78 0.63 -0.44 -1.07 0.00 0.00 179.97 179.92 1nkt h ASP 188 N 1.21 1.14 -0.00 7.04 3.32 -1.18 -0.25 116.42 127.69 1nkt h ASP 188 Ca 0.35 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1nkt h ASP 188 Cb -0.08 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.18 1nkt h ASP 188 CO -0.09 0.84 0.00 0.59 -1.72 0.00 0.00 179.24 178.86 1nkt n ASN 189 N -4.37 0.07 -0.00 6.45 3.02 -0.91 -2.30 115.26 117.22 1nkt n ASN 189 Ca 0.11 -1.18 0.09 0.00 -0.03 0.00 0.00 54.58 53.58 1nkt n ASN 189 Cb 0.03 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 1nkt n ASN 189 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nkt n MET 190 N -0.87 0.66 -2.16 3.52 2.81 -0.17 -4.96 117.12 115.96 1nkt n MET 190 Ca 0.20 -0.02 -0.38 0.00 -1.81 0.00 0.00 57.70 55.70 1nkt n MET 190 Cb 0.10 -1.41 -0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1nkt n MET 190 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nkt s ALA 191 N -2.87 2.99 -2.33 3.04 0.00 -0.80 -4.95 121.76 116.83 1nkt s ALA 191 Ca 0.06 1.04 0.22 0.00 0.00 0.00 0.00 51.96 53.28 1nkt s ALA 191 Cb 0.14 -3.43 0.51 0.00 0.00 0.00 0.00 23.12 20.34 1nkt s ALA 191 CO 0.79 -0.79 1.45 0.72 0.00 0.00 0.00 175.76 177.93 1nkt n HIS 192 N -0.48 0.59 -3.70 0.00 -0.00 -1.26 -4.91 115.22 105.46 1nkt n HIS 192 Ca 0.07 -0.30 -0.12 0.00 -0.00 0.00 0.00 57.72 57.38 1nkt n HIS 192 Cb 0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.36 1nkt n HIS 192 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nkt s SER 193 N -1.36 -0.55 0.52 0.41 0.15 -1.26 -4.99 113.70 106.62 1nkt s SER 193 Ca 0.40 1.00 0.19 0.00 0.70 0.00 0.00 55.95 58.24 1nkt s SER 193 Cb 0.23 0.97 1.32 0.00 -1.71 0.00 0.00 66.02 66.82 1nkt s SER 193 CO 0.31 -0.18 2.13 0.25 1.20 0.00 0.00 173.24 176.95 1nkt h LEU 194 N 6.00 0.00 -2.40 3.45 5.85 -1.91 -1.67 115.31 124.64 1nkt h LEU 194 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1nkt h LEU 194 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1nkt h LEU 194 CO 0.22 0.05 -0.03 0.44 -0.34 0.00 0.00 178.44 178.78 1nkt h ASP 195 N 0.00 0.00 0.75 1.25 5.19 -1.97 -3.05 116.42 118.58 1nkt h ASP 195 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nkt h ASP 195 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1nkt h ASP 195 CO 0.01 0.03 -0.75 0.47 -3.12 0.00 0.00 179.24 175.88 1nkt n ASP 196 N -3.46 0.68 -4.70 6.45 8.00 -0.63 -4.89 116.55 118.01 1nkt n ASP 196 Ca -0.02 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.08 1nkt n ASP 196 Cb 0.14 0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1nkt n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nkt n LEU 197 N -2.09 3.62 -0.11 0.64 4.77 -1.16 -4.95 117.00 117.72 1nkt n LEU 197 Ca 0.03 1.14 -0.15 0.00 -0.03 0.00 0.00 56.01 57.00 1nkt n LEU 197 Cb 0.44 -1.50 -0.13 0.00 -2.33 0.00 0.00 43.42 39.90 1nkt n LEU 197 CO 0.38 -0.23 -1.26 1.33 -1.33 0.00 0.00 177.39 176.28 1nkt n VAL 198 N 1.99 1.46 -2.30 4.08 0.24 -1.26 -4.94 118.33 117.61 1nkt n VAL 198 Ca 0.10 -0.68 -0.25 0.00 -2.04 0.00 0.00 64.34 61.47 1nkt n VAL 198 Cb 0.34 -1.08 0.08 0.00 -1.47 0.00 0.00 33.84 31.71 1nkt n VAL 198 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1nkt s GLN 199 N -2.51 1.99 -0.32 7.34 -0.21 -1.26 -4.46 119.66 120.23 1nkt s GLN 199 Ca -0.25 -0.49 0.18 0.00 0.02 0.00 0.00 55.36 54.81 1nkt s GLN 199 Cb 0.08 -2.21 0.46 0.00 1.00 0.00 0.00 33.01 32.34 1nkt s GLN 199 CO 0.69 -1.32 0.97 2.89 -2.12 0.00 0.00 175.29 176.40 1nkt n ARG 200 N -2.91 1.17 0.00 2.91 1.85 -1.26 -5.10 116.66 113.31 1nkt n ARG 200 Ca 0.10 -3.21 0.00 0.00 -1.00 0.00 0.00 57.85 53.74 1nkt n ARG 200 Cb 0.60 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.80 1nkt n ARG 200 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nkt n GLY 201 N -0.11 1.63 2.95 2.89 0.00 -1.26 -4.91 105.19 106.39 1nkt n GLY 201 Ca 0.08 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1nkt n GLY 201 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nkt s HIS 202 N -2.21 3.32 -0.19 1.61 3.76 -1.26 -4.94 115.29 115.38 1nkt s HIS 202 Ca 0.00 -3.19 -0.15 0.00 -0.15 0.00 0.00 55.06 51.57 1nkt s HIS 202 Cb 0.00 -2.83 -0.08 0.00 1.11 0.00 0.00 32.58 30.79 1nkt s HIS 202 CO 0.00 -0.69 -0.24 0.72 -0.85 0.00 0.00 174.74 173.68 1nkt n HIS 203 N 2.80 0.40 -3.73 1.40 -0.00 -1.26 -1.81 115.22 113.02 1nkt n HIS 203 Ca 0.10 0.17 -0.14 0.00 -0.00 0.00 0.00 57.72 57.85 1nkt n HIS 203 Cb 0.33 -0.73 -0.14 0.00 -0.00 0.00 0.00 29.99 29.45 1nkt n HIS 203 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1nkt s TYR 204 N -2.58 -0.21 -0.09 4.41 5.04 -1.26 -1.81 117.35 120.85 1nkt s TYR 204 Ca -0.26 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1nkt s TYR 204 Cb 0.05 -0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1nkt s TYR 204 CO 0.39 -0.20 -0.15 0.00 -1.34 0.00 0.00 175.55 174.25 1nkt s ALA 205 N 1.40 1.60 -0.31 3.97 0.00 -0.53 -0.60 121.76 127.30 1nkt s ALA 205 Ca -0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 1nkt s ALA 205 Cb -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1nkt s ALA 205 CO -0.07 0.02 0.10 0.42 0.00 0.00 0.00 175.76 176.24 1nkt s ILE 206 N 0.82 4.07 -0.49 0.00 1.01 0.42 -1.03 121.20 125.99 1nkt s ILE 206 Ca -0.10 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1nkt s ILE 206 Cb -0.16 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.24 1nkt s ILE 206 CO 0.01 0.03 0.61 -0.69 0.00 0.00 0.00 174.94 174.90 1nkt s VAL 207 N 1.51 4.89 0.58 2.92 1.01 0.63 -1.14 120.40 130.80 1nkt s VAL 207 Ca 0.02 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1nkt s VAL 207 Cb -0.18 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1nkt s VAL 207 CO 0.03 -0.74 1.06 -0.62 0.00 0.00 0.00 175.10 174.83 1nkt s ASP 208 N 2.53 5.84 -1.30 3.32 -1.08 0.33 -1.42 116.67 124.89 1nkt s ASP 208 Ca 0.16 1.86 -0.13 0.00 -0.52 0.00 0.00 52.55 53.91 1nkt s ASP 208 Cb -0.18 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.74 1nkt s ASP 208 CO 0.13 -1.13 0.54 -0.62 0.52 0.00 0.00 175.17 174.62 1nkt n GLU 209 N -1.84 -1.84 -0.28 4.34 -0.58 -0.17 -4.66 120.64 115.61 1nkt n GLU 209 Ca 0.09 0.33 0.03 0.00 -0.42 0.00 0.00 57.16 57.19 1nkt n GLU 209 Cb 0.53 -3.94 0.17 0.00 -0.57 0.00 0.00 31.44 27.62 1nkt n GLU 209 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nkt h VAL 210 N -2.00 0.87 -0.62 2.62 2.07 -1.35 -2.47 116.25 115.37 1nkt h VAL 210 Ca -0.66 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1nkt h VAL 210 Cb 1.38 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1nkt h VAL 210 CO 0.57 0.13 0.16 -2.24 0.02 0.00 0.00 177.57 176.21 1nkt h ASP 211 N 0.71 0.94 -0.79 0.57 2.03 -1.85 0.34 116.42 118.37 1nkt h ASP 211 Ca 0.39 -0.23 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 1nkt h ASP 211 Cb 0.40 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 38.62 1nkt h ASP 211 CO -0.27 0.92 0.44 0.28 -1.03 0.00 0.00 179.24 179.59 1nkt h SER 212 N 0.91 0.99 0.00 4.15 0.02 -1.82 -2.02 113.55 115.78 1nkt h SER 212 Ca 0.20 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1nkt h SER 212 Cb 0.35 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1nkt h SER 212 CO 0.00 0.79 -0.57 0.40 -1.14 0.00 0.00 176.83 176.31 1nkt h ILE 213 N 1.11 0.17 0.00 3.27 2.04 -1.15 -0.16 117.51 122.79 1nkt h ILE 213 Ca 0.28 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1nkt h ILE 213 Cb 0.02 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1nkt h ILE 213 CO -0.05 0.06 0.00 -0.07 0.00 0.00 0.00 178.15 178.09 1nkt h LEU 214 N -1.00 0.00 0.00 1.44 3.38 -0.48 -3.19 115.31 115.46 1nkt h LEU 214 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nkt h LEU 214 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1nkt h LEU 214 CO -0.03 0.00 -0.33 -0.38 0.09 0.00 0.00 178.44 177.78 1nkt n ILE 215 N -3.04 0.71 0.06 1.22 -0.00 -0.97 -4.57 119.36 112.77 1nkt n ILE 215 Ca 0.02 0.28 -0.13 0.00 -0.00 0.00 0.00 62.75 62.93 1nkt n ILE 215 Cb 0.40 -1.72 -0.09 0.00 -0.00 0.00 0.00 39.64 38.23 1nkt n ILE 215 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1nkt h ASP 216 N -0.33 -0.15 0.87 4.38 3.32 -1.37 -3.05 116.42 120.09 1nkt h ASP 216 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1nkt h ASP 216 Cb 0.33 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1nkt h ASP 216 CO 0.00 0.25 0.00 -0.33 -1.72 0.00 0.00 179.24 177.44 1nkt h GLU 217 N -0.58 0.00 0.00 3.56 5.08 -1.09 -3.18 114.58 118.38 1nkt h GLU 217 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nkt h GLU 217 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1nkt h GLU 217 CO 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1nkt n ALA 218 N -1.80 1.89 0.23 3.43 0.00 -1.15 -3.02 120.51 120.09 1nkt n ALA 218 Ca 0.03 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1nkt n ALA 218 Cb 0.27 -1.29 0.53 0.00 0.00 0.00 0.00 19.45 18.96 1nkt n ALA 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nkt n ARG 219 N -1.39 0.15 -4.22 0.00 1.74 -1.20 -4.71 116.66 107.02 1nkt n ARG 219 Ca 0.06 0.56 -0.20 0.00 -0.77 0.00 0.00 57.85 57.50 1nkt n ARG 219 Cb 0.17 -1.91 -0.16 0.00 -1.02 0.00 0.00 32.46 29.54 1nkt n ARG 219 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1nkt s THR 220 N -3.45 0.61 0.71 0.55 2.01 -1.17 -4.73 115.64 110.18 1nkt s THR 220 Ca -0.00 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 1nkt s THR 220 Cb 0.07 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1nkt s THR 220 CO 0.25 0.24 1.09 -2.84 -0.69 0.00 0.00 174.62 172.66 1nkt s PRO 221 N 0.87 2.81 -0.19 4.92 0.02 -1.26 -4.56 135.00 137.61 1nkt s PRO 221 Ca -0.12 0.55 -0.20 0.00 0.02 0.00 0.00 61.00 61.25 1nkt s PRO 221 Cb -0.15 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1nkt s PRO 221 CO 0.01 -1.09 0.57 -0.51 -0.33 0.00 0.00 177.00 175.65 1nkt s LEU 222 N -5.42 4.16 -0.08 -5.54 1.02 0.15 -4.99 118.68 107.97 1nkt s LEU 222 Ca 0.58 0.76 0.01 0.00 0.02 0.00 0.00 54.13 55.51 1nkt s LEU 222 Cb -0.12 -2.79 0.02 0.00 0.02 0.00 0.00 46.19 43.32 1nkt s LEU 222 CO 0.53 -0.21 -0.11 -0.63 0.02 0.00 0.00 176.35 175.94 1nkt s ILE 223 N 1.68 1.16 -0.30 -0.59 1.01 -1.26 -2.52 121.20 120.37 1nkt s ILE 223 Ca 0.26 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1nkt s ILE 223 Cb -0.16 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1nkt s ILE 223 CO 0.10 0.37 0.14 -0.63 0.00 0.00 0.00 174.94 174.92 1nkt s ILE 224 N 0.99 4.57 0.17 2.92 1.01 -0.09 -5.01 121.20 125.75 1nkt s ILE 224 Ca -0.08 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.26 1nkt s ILE 224 Cb -0.15 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1nkt s ILE 224 CO -0.00 0.10 -0.09 -0.94 0.00 0.00 0.00 174.94 174.01 1nkt s SER 225 N 1.61 4.32 0.17 3.58 1.04 -1.26 0.58 113.70 123.74 1nkt s SER 225 Ca 0.05 -0.53 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 1nkt s SER 225 Cb -0.17 -0.77 0.07 0.00 0.10 0.00 0.00 66.02 65.25 1nkt s SER 225 CO 0.06 0.11 0.89 0.61 0.98 0.00 0.00 173.24 175.89 1nkt n GLY 226 N 0.12 0.70 3.69 7.32 0.00 -0.37 -4.89 105.19 111.76 1nkt n GLY 226 Ca -0.11 -1.12 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 1nkt n GLY 226 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nkt n PRO 227 N -0.62 2.37 0.28 1.61 -0.02 -1.26 -0.56 135.00 136.79 1nkt n PRO 227 Ca -0.02 0.85 0.18 0.00 -2.02 0.00 0.00 63.50 62.49 1nkt n PRO 227 Cb 0.51 -2.63 0.97 0.00 -0.02 0.00 0.00 33.50 32.33 1nkt n PRO 227 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nkt h ALA 228 N 5.76 1.44 -6.78 3.55 0.00 -1.62 -3.46 119.26 118.14 1nkt h ALA 228 Ca -0.45 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 1nkt h ALA 228 Cb 1.24 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 1nkt h ALA 228 CO 0.88 -0.15 -0.85 -3.47 0.00 0.00 0.00 179.25 175.65 1nkt n ASP 229 N -3.46 -2.80 -3.00 0.00 2.03 -1.26 -4.88 116.55 103.18 1nkt n ASP 229 Ca -0.01 -1.04 -0.11 0.00 0.52 0.00 0.00 54.79 54.14 1nkt n ASP 229 Cb 0.21 -2.64 0.10 0.00 -0.72 0.00 0.00 41.12 38.07 1nkt n ASP 229 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nkt n GLY 230 N -1.45 -3.23 2.00 0.27 0.00 -1.26 -4.92 105.19 96.60 1nkt n GLY 230 Ca 0.04 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 1nkt n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nkt n ALA 231 N -3.90 4.67 -0.34 4.61 0.00 -1.26 -4.74 120.51 119.55 1nkt n ALA 231 Ca -0.08 -2.30 0.16 0.00 0.00 0.00 0.00 53.44 51.22 1nkt n ALA 231 Cb 0.22 -1.28 0.31 0.00 0.00 0.00 0.00 19.45 18.71 1nkt n ALA 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nkt h SER 232 N 2.28 -0.40 0.86 0.00 4.64 -1.97 0.24 113.55 119.19 1nkt h SER 232 Ca 0.32 0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.87 1nkt h SER 232 Cb 2.37 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 64.91 1nkt h SER 232 CO 0.77 -0.36 -0.22 -0.55 -0.87 0.00 0.00 176.83 175.60 1nkt h ASN 233 N 0.01 0.00 0.04 4.97 -0.00 -2.00 -1.86 115.58 116.75 1nkt h ASN 233 Ca 0.62 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 56.68 1nkt h ASN 233 Cb 1.31 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.65 1nkt h ASN 233 CO -0.90 0.22 -0.96 -0.50 -0.00 0.00 0.00 177.43 175.29 1nkt h TRP 234 N 0.00 0.89 -0.13 4.14 -0.00 -0.93 -2.15 115.95 117.76 1nkt h TRP 234 Ca -0.00 -0.51 0.05 0.00 -0.00 0.00 0.00 58.89 58.42 1nkt h TRP 234 Cb 0.72 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.73 1nkt h TRP 234 CO 0.00 1.35 -0.21 1.88 -0.00 0.00 0.00 178.44 181.46 1nkt h TYR 235 N 0.18 -0.55 -0.30 0.49 0.05 -1.21 -0.13 116.97 115.51 1nkt h TYR 235 Ca -0.13 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.74 1nkt h TYR 235 Cb 1.64 0.26 -0.06 0.00 1.01 0.00 0.00 36.73 39.59 1nkt h TYR 235 CO 0.12 -0.29 -0.07 1.15 -1.05 0.00 0.00 178.16 178.03 1nkt h THR 236 N -0.26 0.71 -0.62 -2.88 2.02 -1.43 -0.49 112.91 109.94 1nkt h THR 236 Ca 0.10 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1nkt h THR 236 Cb 0.41 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1nkt h THR 236 CO -0.29 0.00 0.41 -0.08 0.37 0.00 0.00 175.52 175.94 1nkt h GLU 237 N 0.00 0.79 0.00 6.66 4.57 -0.80 -1.98 114.58 123.82 1nkt h GLU 237 Ca 0.14 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.08 1nkt h GLU 237 Cb 0.22 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1nkt h GLU 237 CO -0.30 0.52 -1.18 0.74 -1.18 0.00 0.00 179.01 177.61 1nkt h PHE 238 N 0.81 0.00 -0.08 0.92 0.04 -0.64 -2.26 116.94 115.73 1nkt h PHE 238 Ca 0.23 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 1nkt h PHE 238 Cb -0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1nkt h PHE 238 CO -0.00 0.77 -0.06 0.00 -0.60 0.00 0.00 178.31 178.43 1nkt h ALA 239 N 1.23 1.76 -0.04 2.45 0.00 -0.84 -0.83 119.26 122.99 1nkt h ALA 239 Ca -0.12 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 1nkt h ALA 239 Cb 1.70 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1nkt h ALA 239 CO 0.08 0.18 -0.83 -0.09 0.00 0.00 0.00 179.25 178.60 1nkt h ARG 240 N 0.11 0.38 0.01 0.00 2.43 -1.22 -3.33 114.38 112.77 1nkt h ARG 240 Ca 0.03 -0.36 -0.24 0.00 -0.81 0.00 0.00 59.98 58.60 1nkt h ARG 240 Cb 0.18 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1nkt h ARG 240 CO 0.01 1.02 -1.22 -0.07 -1.51 0.00 0.00 179.97 178.20 1nkt h LEU 241 N 0.24 0.05 -0.07 3.80 3.38 -1.12 -3.38 115.31 118.21 1nkt h LEU 241 Ca -0.05 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1nkt h LEU 241 Cb 1.43 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1nkt h LEU 241 CO 0.14 1.05 0.01 0.00 0.09 0.00 0.00 178.44 179.73 1nkt h ALA 242 N 0.95 0.07 -0.74 1.53 0.00 -1.26 -2.36 119.26 117.44 1nkt h ALA 242 Ca -0.10 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1nkt h ALA 242 Cb 1.86 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 1nkt h ALA 242 CO 0.12 -0.46 0.40 -1.00 0.00 0.00 0.00 179.25 178.32 1nkt h PRO 243 N 0.04 0.67 -0.26 0.00 0.13 -1.75 -2.82 132.00 128.02 1nkt h PRO 243 Ca 0.03 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1nkt h PRO 243 Cb 0.02 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 1nkt h PRO 243 CO -0.04 0.44 0.17 -0.07 -0.23 0.00 0.00 178.00 178.28 1nkt h LEU 244 N 0.69 0.18 -9.95 1.56 3.38 -1.60 -3.42 115.31 106.16 1nkt h LEU 244 Ca 0.36 -0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.84 1nkt h LEU 244 Cb 0.33 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nkt h LEU 244 CO -0.24 0.13 0.41 -0.04 0.09 0.00 0.00 178.44 178.78 1nkt s MET 245 N -5.23 4.24 -0.16 1.13 -1.94 -1.07 -5.05 119.30 111.22 1nkt s MET 245 Ca -0.06 1.50 -0.03 0.00 -1.71 0.00 0.00 55.69 55.38 1nkt s MET 245 Cb 0.18 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 1nkt s MET 245 CO 0.70 -0.07 -0.05 -2.00 -0.01 0.00 0.00 175.02 173.60 1nkt s GLU 246 N -2.41 3.61 0.22 2.03 2.12 -1.26 -4.98 118.70 118.03 1nkt s GLU 246 Ca 0.56 -0.55 -0.32 0.00 0.36 0.00 0.00 54.97 55.03 1nkt s GLU 246 Cb -0.22 -2.90 -0.14 0.00 0.26 0.00 0.00 34.13 31.13 1nkt s GLU 246 CO 0.27 0.18 1.33 1.17 -0.54 0.00 0.00 175.26 177.67 1nkt n LYS 247 N 3.69 1.76 -0.23 4.30 4.81 -1.26 -0.89 118.16 130.35 1nkt n LYS 247 Ca -0.17 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1nkt n LYS 247 Cb 0.52 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.34 1nkt n LYS 247 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nkt n ASP 248 N 2.08 0.00 -0.06 3.14 8.00 0.12 -4.66 116.55 125.17 1nkt n ASP 248 Ca 0.12 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.57 1nkt n ASP 248 Cb 0.29 -0.97 -0.02 0.00 -0.02 0.00 0.00 41.12 40.40 1nkt n ASP 248 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nkt n VAL 249 N -2.00 1.03 0.05 2.53 0.31 -0.86 -4.76 118.33 114.63 1nkt n VAL 249 Ca 0.00 0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.57 1nkt n VAL 249 Cb 0.00 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 30.76 1nkt n VAL 249 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1nkt h HIS 250 N -0.70 0.00 -3.53 3.52 3.86 -1.29 -3.43 115.15 113.58 1nkt h HIS 250 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1nkt h HIS 250 Cb 0.63 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.99 1nkt h HIS 250 CO -0.27 0.68 -0.11 1.52 0.86 0.00 0.00 177.93 180.61 1nkt s TYR 251 N -2.86 0.08 0.06 2.45 1.13 -1.24 -1.03 117.35 115.94 1nkt s TYR 251 Ca -0.01 -0.43 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 1nkt s TYR 251 Cb 0.08 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1nkt s TYR 251 CO 0.80 -0.84 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.78 1nkt s GLU 252 N -3.91 1.87 -0.17 -3.49 2.12 0.36 0.16 118.70 115.65 1nkt s GLU 252 Ca 0.12 -1.09 -0.01 0.00 0.36 0.00 0.00 54.97 54.35 1nkt s GLU 252 Cb 0.01 -2.08 -0.01 0.00 0.26 0.00 0.00 34.13 32.32 1nkt s GLU 252 CO -0.02 0.51 -0.12 0.08 -0.54 0.00 0.00 175.26 175.18 1nkt s VAL 253 N -0.92 2.92 -1.06 3.70 1.01 -1.26 -0.86 120.40 123.93 1nkt s VAL 253 Ca 0.14 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1nkt s VAL 253 Cb -0.10 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.13 1nkt s VAL 253 CO 0.05 0.49 1.35 -0.62 0.00 0.00 0.00 175.10 176.37 1nkt s ASP 254 N 0.92 6.71 0.29 3.32 -1.08 0.26 -4.87 116.67 122.22 1nkt s ASP 254 Ca -0.03 -2.13 -0.02 0.00 -0.52 0.00 0.00 52.55 49.85 1nkt s ASP 254 Cb -0.15 -2.47 0.63 0.00 -1.46 0.00 0.00 42.92 39.47 1nkt s ASP 254 CO -0.01 -1.13 1.59 0.17 0.52 0.00 0.00 175.17 176.31 1nkt h LEU 255 N 11.16 -0.50 0.08 -1.34 -0.00 -1.97 -0.92 115.31 121.82 1nkt h LEU 255 Ca 0.24 0.26 -0.11 0.00 -0.00 0.00 0.00 57.88 58.26 1nkt h LEU 255 Cb 0.97 0.46 0.01 0.00 -0.00 0.00 0.00 40.66 42.11 1nkt h LEU 255 CO 1.26 -0.30 -0.49 0.08 -0.00 0.00 0.00 178.44 178.99 1nkt h ARG 256 N 0.04 0.19 -0.22 0.17 -0.00 -1.95 -3.33 114.38 109.27 1nkt h ARG 256 Ca 0.53 -0.31 0.00 0.00 -0.00 0.00 0.00 59.98 60.20 1nkt h ARG 256 Cb 1.02 0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 1nkt h ARG 256 CO -0.87 1.14 0.00 1.63 -0.00 0.00 0.00 179.97 181.88 1nkt n LYS 257 N -4.32 1.56 -2.60 0.08 5.02 -1.03 -4.91 118.16 111.96 1nkt n LYS 257 Ca -0.12 -0.86 -0.16 0.00 -2.02 0.00 0.00 58.31 55.14 1nkt n LYS 257 Cb 0.68 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 34.48 1nkt n LYS 257 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1nkt n ARG 258 N 0.17 -2.65 -4.04 1.97 3.00 -0.39 -4.98 116.66 109.74 1nkt n ARG 258 Ca 0.10 0.72 -0.12 0.00 -0.00 0.00 0.00 57.85 58.55 1nkt n ARG 258 Cb 0.22 -5.12 -0.12 0.00 0.00 0.00 0.00 32.46 27.44 1nkt n ARG 258 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1nkt s THR 259 N -2.92 0.37 -0.11 5.15 -1.32 -1.00 -5.01 115.64 110.80 1nkt s THR 259 Ca 0.13 -0.78 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1nkt s THR 259 Cb -0.06 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1nkt s THR 259 CO 0.16 -0.28 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.37 1nkt s VAL 260 N -1.04 2.02 -0.18 5.08 1.01 -1.26 0.92 120.40 126.93 1nkt s VAL 260 Ca -0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1nkt s VAL 260 Cb -0.08 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1nkt s VAL 260 CO -0.00 0.55 -0.08 -0.83 0.00 0.00 0.00 175.10 174.73 1nkt s GLY 261 N 0.49 1.58 0.01 4.51 0.00 -0.04 -4.97 107.32 108.90 1nkt s GLY 261 Ca -0.15 -1.06 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1nkt s GLY 261 CO 0.06 0.19 0.98 0.14 0.00 0.00 0.00 173.10 174.47 1nkt s VAL 262 N 1.03 4.81 0.44 1.40 1.01 -1.26 -0.49 120.40 127.34 1nkt s VAL 262 Ca -0.00 2.05 -0.09 0.00 0.00 0.00 0.00 61.98 63.93 1nkt s VAL 262 Cb -0.15 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 1nkt s VAL 262 CO -0.01 0.18 0.79 -1.00 0.00 0.00 0.00 175.10 175.06 1nkt s HIS 263 N 0.90 3.50 0.22 5.22 3.76 -0.20 -4.74 115.29 123.95 1nkt s HIS 263 Ca 0.52 1.02 -0.18 0.00 -0.15 0.00 0.00 55.06 56.26 1nkt s HIS 263 Cb -0.21 -2.44 0.22 0.00 1.11 0.00 0.00 32.58 31.26 1nkt s HIS 263 CO 0.28 -0.19 1.56 1.49 -0.85 0.00 0.00 174.74 177.04 1nkt h GLU 264 N 0.92 -0.04 -0.90 1.40 4.81 -1.92 0.11 114.58 118.96 1nkt h GLU 264 Ca -0.47 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1nkt h GLU 264 Cb 1.19 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 1nkt h GLU 264 CO 0.63 -0.03 0.51 0.87 -0.73 0.00 0.00 179.01 180.27 1nkt h LYS 265 N -0.04 0.73 -0.19 1.92 1.57 -1.86 -2.29 116.57 116.40 1nkt h LYS 265 Ca 0.32 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 1nkt h LYS 265 Cb 0.59 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nkt h LYS 265 CO -0.91 0.48 -0.31 0.78 -0.57 0.00 0.00 179.45 178.92 1nkt h GLY 266 N 0.75 0.59 0.43 3.86 0.00 -0.92 -1.33 103.07 106.45 1nkt h GLY 266 Ca 0.48 -0.67 0.09 0.00 0.00 0.00 0.00 47.33 47.23 1nkt h GLY 266 CO -0.33 0.61 0.24 -2.08 0.00 0.00 0.00 176.54 174.98 1nkt h VAL 267 N 0.20 0.80 -0.30 4.60 2.07 -0.81 -0.69 116.25 122.12 1nkt h VAL 267 Ca 0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1nkt h VAL 267 Cb 0.89 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1nkt h VAL 267 CO 0.07 0.08 0.16 -0.08 0.02 0.00 0.00 177.57 177.82 1nkt h GLU 268 N 0.44 0.42 -0.18 1.57 4.81 -1.36 -0.68 114.58 119.60 1nkt h GLU 268 Ca 0.30 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1nkt h GLU 268 Cb 0.35 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1nkt h GLU 268 CO -0.29 0.38 -0.28 0.35 -0.73 0.00 0.00 179.01 178.44 1nkt h PHE 269 N 0.36 -0.75 -0.20 0.92 3.57 -0.26 0.30 116.94 120.88 1nkt h PHE 269 Ca 0.10 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1nkt h PHE 269 Cb 0.08 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1nkt h PHE 269 CO -0.03 -0.36 0.12 0.28 -2.23 0.00 0.00 178.31 176.10 1nkt h VAL 270 N -0.32 1.08 -0.46 1.41 2.07 -1.13 -0.08 116.25 118.82 1nkt h VAL 270 Ca 0.11 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1nkt h VAL 270 Cb 0.50 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 1nkt h VAL 270 CO -0.36 0.08 -0.13 -0.33 0.02 0.00 0.00 177.57 176.85 1nkt h GLU 271 N 0.24 -0.02 -0.27 1.57 5.08 -0.54 -1.32 114.58 119.32 1nkt h GLU 271 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1nkt h GLU 271 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1nkt h GLU 271 CO -0.01 -0.01 0.14 -0.44 -1.00 0.00 0.00 179.01 177.69 1nkt h ASP 272 N -0.02 0.34 0.12 1.42 5.19 -0.17 -1.19 116.42 122.12 1nkt h ASP 272 Ca 0.22 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1nkt h ASP 272 Cb 0.36 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1nkt h ASP 272 CO -0.48 0.34 -0.06 1.56 -3.12 0.00 0.00 179.24 177.48 1nkt h GLN 273 N 0.31 0.00 -0.00 3.56 1.08 -0.34 -2.76 115.11 116.96 1nkt h GLN 273 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1nkt h GLN 273 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1nkt h GLN 273 CO -0.01 0.06 -0.84 1.28 -0.95 0.00 0.00 178.83 178.36 1nkt n LEU 274 N -3.95 1.05 -1.96 1.46 4.77 -0.56 -5.00 117.00 112.81 1nkt n LEU 274 Ca -0.03 -0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 55.33 1nkt n LEU 274 Cb 0.15 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1nkt n LEU 274 CO 0.30 0.25 0.07 0.61 -1.33 0.00 0.00 177.39 177.29 1nkt n GLY 275 N 1.44 0.19 2.98 -0.72 0.00 -0.78 -5.04 105.19 103.26 1nkt n GLY 275 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1nkt n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nkt s ILE 276 N -3.15 0.25 -0.12 -0.61 1.09 -0.52 -5.06 121.20 113.08 1nkt s ILE 276 Ca 0.11 -0.74 0.13 0.00 -1.10 0.00 0.00 60.65 59.06 1nkt s ILE 276 Cb -0.05 -0.33 -0.24 0.00 -1.06 0.00 0.00 42.46 40.78 1nkt s ILE 276 CO 0.32 -0.32 0.37 0.47 -0.10 0.00 0.00 174.94 175.67 1nkt n ASP 277 N 1.94 0.63 -3.82 3.58 8.00 -1.26 -4.43 116.55 121.20 1nkt n ASP 277 Ca -0.21 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1nkt n ASP 277 Cb 0.56 0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.88 1nkt n ASP 277 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1nkt s ASN 278 N -5.91 -0.10 0.00 -2.24 3.84 -1.26 -5.05 114.94 104.22 1nkt s ASN 278 Ca -0.09 0.03 0.16 0.00 0.21 0.00 0.00 52.86 53.17 1nkt s ASN 278 Cb 0.07 0.30 0.85 0.00 -0.55 0.00 0.00 41.25 41.92 1nkt s ASN 278 CO 0.81 -0.34 1.45 0.18 -2.79 0.00 0.00 177.10 176.41 1nkt n LEU 279 N 1.67 0.00 -0.35 3.21 4.77 -1.26 -2.85 117.00 122.20 1nkt n LEU 279 Ca -0.20 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 1nkt n LEU 279 Cb 0.56 -0.22 0.14 0.00 -2.33 0.00 0.00 43.42 41.57 1nkt n LEU 279 CO 0.21 -0.10 0.60 -1.22 -1.33 0.00 0.00 177.39 175.54 1nkt n TYR 280 N -1.22 0.31 0.12 -1.77 4.01 -1.26 -3.84 117.16 113.51 1nkt n TYR 280 Ca 0.09 -0.77 0.01 0.00 -0.16 0.00 0.00 57.90 57.07 1nkt n TYR 280 Cb 0.11 -0.15 -0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1nkt n TYR 280 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1nkt h GLU 281 N 0.77 0.00 -5.63 -0.72 4.11 -1.63 -2.85 114.58 108.64 1nkt h GLU 281 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 1nkt h GLU 281 Cb 0.94 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.07 1nkt h GLU 281 CO 0.05 0.51 0.26 0.00 0.07 0.00 0.00 179.01 179.90 1nkt s ALA 282 N -2.94 3.48 0.31 1.06 0.00 -1.26 -1.36 121.76 121.05 1nkt s ALA 282 Ca 0.03 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1nkt s ALA 282 Cb 0.08 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.84 1nkt s ALA 282 CO 0.76 -1.31 1.31 0.00 0.00 0.00 0.00 175.76 176.52 1nkt n ALA 283 N 6.15 1.20 -0.95 0.00 0.00 -1.26 -2.10 120.51 123.55 1nkt n ALA 283 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1nkt n ALA 283 Cb 0.48 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1nkt n ALA 283 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nkt n ASN 284 N 1.14 -4.40 -3.91 0.00 2.85 -1.26 -4.92 115.26 104.76 1nkt n ASN 284 Ca 0.07 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.24 1nkt n ASN 284 Cb 0.35 -2.49 -0.14 0.00 1.24 0.00 0.00 39.78 38.74 1nkt n ASN 284 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1nkt s SER 285 N -2.04 4.19 -1.04 1.20 0.01 -0.89 -5.03 113.70 110.09 1nkt s SER 285 Ca 0.00 -2.95 -0.18 0.00 1.31 0.00 0.00 55.95 54.13 1nkt s SER 285 Cb 0.00 -1.53 -0.08 0.00 0.21 0.00 0.00 66.02 64.62 1nkt s SER 285 CO 0.00 -0.24 2.08 -0.81 0.41 0.00 0.00 173.24 174.68 1nkt n PRO 286 N 3.17 2.08 -0.21 12.44 -0.04 -1.26 -4.72 135.00 146.46 1nkt n PRO 286 Ca 0.06 -2.09 0.08 0.00 -0.04 0.00 0.00 63.50 61.51 1nkt n PRO 286 Cb 0.32 -3.01 0.35 0.00 -0.04 0.00 0.00 33.50 31.13 1nkt n PRO 286 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nkt h LEU 287 N 11.89 0.67 -0.23 1.53 3.38 -1.93 -0.70 115.31 129.92 1nkt h LEU 287 Ca 0.49 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.53 1nkt h LEU 287 Cb 0.61 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1nkt h LEU 287 CO 1.90 0.41 -0.10 0.58 0.09 0.00 0.00 178.44 181.33 1nkt h VAL 288 N 0.75 0.68 -0.43 1.22 2.07 -1.87 0.70 116.25 119.37 1nkt h VAL 288 Ca 0.35 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.82 1nkt h VAL 288 Cb 0.37 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1nkt h VAL 288 CO -0.13 0.00 0.10 0.28 0.02 0.00 0.00 177.57 177.85 1nkt h SER 289 N -0.06 0.66 -0.07 0.57 0.02 -1.55 -1.09 113.55 112.03 1nkt h SER 289 Ca 0.12 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1nkt h SER 289 Cb 0.24 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1nkt h SER 289 CO -0.27 0.72 -0.15 1.88 -1.14 0.00 0.00 176.83 177.87 1nkt h TYR 290 N 0.57 -0.39 -0.02 3.45 0.05 -1.29 -1.76 116.97 117.58 1nkt h TYR 290 Ca 0.14 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.96 1nkt h TYR 290 Cb 0.32 0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1nkt h TYR 290 CO 0.02 -0.22 -0.12 1.25 -1.05 0.00 0.00 178.16 178.03 1nkt h LEU 291 N -0.22 -0.37 -1.06 3.88 5.85 -0.68 -0.44 115.31 122.27 1nkt h LEU 291 Ca 0.07 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1nkt h LEU 291 Cb 0.32 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1nkt h LEU 291 CO -0.20 -0.17 0.63 -1.13 -0.34 0.00 0.00 178.44 177.23 1nkt h ASN 292 N -0.20 1.07 -0.47 1.25 -0.73 -1.15 -1.30 115.58 114.05 1nkt h ASN 292 Ca 0.05 -0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.12 1nkt h ASN 292 Cb 0.27 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 1nkt h ASN 292 CO -0.14 0.76 -0.04 0.78 -0.37 0.00 0.00 177.43 178.42 1nkt h ASN 293 N 1.26 0.84 -0.64 1.15 -0.26 -1.00 0.90 115.58 117.83 1nkt h ASN 293 Ca 0.36 -0.33 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1nkt h ASN 293 Cb -0.08 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.92 1nkt h ASN 293 CO -0.09 0.97 0.36 0.00 -1.06 0.00 0.00 177.43 177.61 1nkt h ALA 294 N 0.90 1.40 0.04 -0.83 0.00 -0.44 0.49 119.26 120.82 1nkt h ALA 294 Ca 0.13 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1nkt h ALA 294 Cb 0.56 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1nkt h ALA 294 CO 0.03 0.50 -1.11 -0.07 0.00 0.00 0.00 179.25 178.60 1nkt h LEU 295 N 0.92 0.88 -0.68 0.00 3.38 -1.07 -1.74 115.31 116.99 1nkt h LEU 295 Ca 0.23 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1nkt h LEU 295 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1nkt h LEU 295 CO -0.04 1.55 0.39 0.11 0.09 0.00 0.00 178.44 180.54 1nkt h LYS 296 N 0.35 0.94 -0.52 1.13 1.57 -0.53 -1.46 116.57 118.05 1nkt h LYS 296 Ca -0.15 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1nkt h LYS 296 Cb 1.77 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.82 1nkt h LYS 296 CO 0.22 0.69 0.14 0.00 -0.57 0.00 0.00 179.45 179.93 1nkt h ALA 297 N 1.20 0.61 -0.17 3.86 0.00 0.04 -0.67 119.26 124.13 1nkt h ALA 297 Ca 0.24 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1nkt h ALA 297 Cb 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nkt h ALA 297 CO -0.04 -0.27 -0.46 -0.22 0.00 0.00 0.00 179.25 178.26 1nkt h LYS 298 N 0.29 0.44 0.00 0.00 3.64 -0.71 -3.33 116.57 116.90 1nkt h LYS 298 Ca 0.26 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1nkt h LYS 298 Cb 0.33 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1nkt h LYS 298 CO -0.31 0.81 -1.71 0.39 -2.27 0.00 0.00 179.45 176.37 1nkt n GLU 299 N -3.99 2.00 0.00 1.90 -0.58 -0.61 -4.72 120.64 114.63 1nkt n GLU 299 Ca -0.02 0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.80 1nkt n GLU 299 Cb 0.54 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 1nkt n GLU 299 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nkt n LEU 300 N -2.46 1.35 -3.88 -4.62 4.77 -0.27 -4.89 117.00 106.98 1nkt n LEU 300 Ca -0.18 -0.69 -0.21 0.00 -0.03 0.00 0.00 56.01 54.91 1nkt n LEU 300 Cb 0.82 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.74 1nkt n LEU 300 CO 0.20 0.27 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.76 1nkt s PHE 301 N -2.04 0.81 -0.14 -1.77 0.40 -1.23 -5.04 117.98 108.97 1nkt s PHE 301 Ca 0.11 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1nkt s PHE 301 Cb 0.12 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 1nkt s PHE 301 CO 0.47 -0.23 -0.12 -1.12 0.70 0.00 0.00 175.22 174.92 1nkt s SER 302 N 1.08 4.06 0.49 1.36 0.01 -1.26 -4.73 113.70 114.71 1nkt s SER 302 Ca -0.08 -0.33 -0.22 0.00 1.31 0.00 0.00 55.95 56.63 1nkt s SER 302 Cb -0.14 -1.63 -0.09 0.00 0.21 0.00 0.00 66.02 64.37 1nkt s SER 302 CO -0.01 0.15 0.94 -1.14 0.41 0.00 0.00 173.24 173.59 1nkt n ARG 303 N 3.65 1.13 0.00 12.44 0.63 -1.26 -0.82 116.66 132.43 1nkt n ARG 303 Ca -0.18 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1nkt n ARG 303 Cb 0.52 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.40 1nkt n ARG 303 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1nkt n ASP 304 N 0.16 0.00 -0.08 6.15 8.00 0.13 -4.57 116.55 126.35 1nkt n ASP 304 Ca 0.11 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.51 1nkt n ASP 304 Cb 0.42 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 1nkt n ASP 304 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nkt h LYS 305 N 0.25 0.00 0.00 -1.24 1.63 -1.88 -3.45 116.57 111.88 1nkt h LYS 305 Ca 0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1nkt h LYS 305 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1nkt h LYS 305 CO 0.00 0.38 -2.00 -0.25 -3.45 0.00 0.00 179.45 174.14 1nkt n ASP 306 N -4.60 1.00 -3.77 4.20 8.00 -0.00 -4.86 116.55 116.52 1nkt n ASP 306 Ca -0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 1nkt n ASP 306 Cb 0.35 1.23 -0.05 0.00 -0.02 0.00 0.00 41.12 42.63 1nkt n ASP 306 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1nkt s TYR 307 N -2.70 0.00 0.31 1.24 -0.85 -1.24 -1.79 117.35 112.32 1nkt s TYR 307 Ca -0.07 -0.35 0.07 0.00 -0.52 0.00 0.00 57.07 56.19 1nkt s TYR 307 Cb 0.07 0.21 -0.06 0.00 0.38 0.00 0.00 41.96 42.56 1nkt s TYR 307 CO 0.69 -0.78 -0.03 0.96 -1.52 0.00 0.00 175.55 174.86 1nkt s ILE 308 N -3.88 1.70 -0.20 -3.49 -4.36 0.11 0.20 121.20 111.28 1nkt s ILE 308 Ca 0.09 -2.10 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1nkt s ILE 308 Cb 0.01 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1nkt s ILE 308 CO -0.05 -0.19 -0.08 -0.69 0.24 0.00 0.00 174.94 174.16 1nkt s VAL 309 N -2.97 3.15 0.00 8.37 1.01 -1.26 -0.97 120.40 127.73 1nkt s VAL 309 Ca 0.32 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1nkt s VAL 309 Cb 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1nkt s VAL 309 CO 0.14 0.46 0.00 -1.14 0.00 0.00 0.00 175.10 174.56 1nkt n ARG 310 N 4.52 0.00 -2.97 2.72 3.00 -0.79 -4.94 116.66 118.20 1nkt n ARG 310 Ca -0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.35 1nkt n ARG 310 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.94 1nkt n ARG 310 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nkt n ASP 311 N 0.00 5.10 0.00 6.15 8.00 -1.26 -4.70 116.55 129.84 1nkt n ASP 311 Ca 0.00 -3.63 0.00 0.00 0.71 0.00 0.00 54.79 51.87 1nkt n ASP 311 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1nkt n ASP 311 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nkt n GLY 312 N 0.10 0.58 3.33 0.44 0.00 -1.26 -5.06 105.19 103.32 1nkt n GLY 312 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 1nkt n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nkt s GLU 313 N -0.14 2.33 -0.11 1.61 0.41 -1.26 -4.84 118.70 116.69 1nkt s GLU 313 Ca 0.00 -0.88 -0.27 0.00 -0.41 0.00 0.00 54.97 53.41 1nkt s GLU 313 Cb 0.00 -2.14 -0.02 0.00 -1.78 0.00 0.00 34.13 30.19 1nkt s GLU 313 CO 0.00 0.51 0.90 0.08 -0.49 0.00 0.00 175.26 176.26 1nkt s VAL 314 N -0.48 4.86 -0.15 2.63 1.01 -1.26 -1.88 120.40 125.13 1nkt s VAL 314 Ca 0.06 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.86 1nkt s VAL 314 Cb -0.11 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1nkt s VAL 314 CO 0.01 0.06 -0.15 -0.76 0.00 0.00 0.00 175.10 174.25 1nkt s LEU 315 N 1.81 1.77 0.18 3.92 1.43 -0.14 -4.98 118.68 122.66 1nkt s LEU 315 Ca 0.44 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1nkt s LEU 315 Cb -0.18 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.74 1nkt s LEU 315 CO 0.17 -0.04 1.17 -0.63 0.23 0.00 0.00 176.35 177.25 1nkt s ILE 316 N 1.40 3.67 0.19 -0.59 1.01 -1.26 0.06 121.20 125.68 1nkt s ILE 316 Ca 0.04 1.40 0.10 0.00 0.00 0.00 0.00 60.65 62.19 1nkt s ILE 316 Cb -0.13 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1nkt s ILE 316 CO -0.10 0.22 -0.14 0.68 0.00 0.00 0.00 174.94 175.60 1nkt s VAL 317 N -0.03 2.90 1.02 2.92 -7.23 -0.74 0.04 120.40 119.28 1nkt s VAL 317 Ca 0.52 -1.81 -0.17 0.00 -1.81 0.00 0.00 61.98 58.72 1nkt s VAL 317 Cb -0.32 -2.43 0.23 0.00 0.56 0.00 0.00 36.38 34.42 1nkt s VAL 317 CO 0.36 -0.13 1.31 1.51 -0.31 0.00 0.00 175.10 177.84 1nkt s ASP 318 N -2.82 2.59 0.00 4.85 3.84 -1.08 -4.63 116.67 119.42 1nkt s ASP 318 Ca 0.24 0.25 0.00 0.00 -0.00 0.00 0.00 52.55 53.04 1nkt s ASP 318 Cb -0.08 -0.26 0.00 0.00 -1.38 0.00 0.00 42.92 41.19 1nkt s ASP 318 CO 0.14 -3.06 0.00 -1.84 -0.00 0.00 0.00 175.17 170.41 1nkt n GLU 319 N -3.98 0.00 -0.52 2.11 0.28 -1.26 -3.38 120.64 113.90 1nkt n GLU 319 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1nkt n GLU 319 Cb 0.59 -0.03 0.01 0.00 1.43 0.00 0.00 31.44 33.44 1nkt n GLU 319 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1nkt n PHE 320 N 0.00 0.00 0.00 -1.84 7.35 -1.26 -4.60 117.46 117.11 1nkt n PHE 320 Ca 0.00 -0.05 -0.15 0.00 -0.76 0.00 0.00 57.45 56.48 1nkt n PHE 320 Cb 0.00 -0.06 -0.14 0.00 0.35 0.00 0.00 39.48 39.63 1nkt n PHE 320 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1nkt h THR 321 N 6.74 0.79 -4.52 -2.13 1.35 -2.00 -3.49 112.91 109.65 1nkt h THR 321 Ca -0.01 -2.56 -0.29 0.00 -0.55 0.00 0.00 66.41 63.01 1nkt h THR 321 Cb 1.40 2.51 0.10 0.00 -1.73 0.00 0.00 68.15 70.43 1nkt h THR 321 CO 0.00 0.72 -0.49 0.61 -0.25 0.00 0.00 175.52 176.11 1nkt n GLY 322 N 1.77 -0.13 3.86 5.82 0.00 -1.22 -5.01 105.19 110.28 1nkt n GLY 322 Ca -0.23 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1nkt n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt s ARG 323 N -5.92 3.89 -0.21 1.61 1.81 -1.26 -4.75 118.95 114.11 1nkt s ARG 323 Ca 0.41 0.37 -0.29 0.00 -1.72 0.00 0.00 55.73 54.50 1nkt s ARG 323 Cb -0.18 -2.84 -0.03 0.00 -0.45 0.00 0.00 34.95 31.45 1nkt s ARG 323 CO 0.53 0.44 1.60 0.08 -0.68 0.00 0.00 175.30 177.26 1nkt s VAL 324 N -1.58 3.72 -1.26 3.52 1.01 -1.26 -2.64 120.40 121.91 1nkt s VAL 324 Ca 0.40 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 1nkt s VAL 324 Cb -0.14 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1nkt s VAL 324 CO 0.20 -0.28 1.61 0.18 0.00 0.00 0.00 175.10 176.80 1nkt n LEU 325 N 8.29 5.12 -4.69 3.92 4.77 0.11 -4.97 117.00 129.56 1nkt n LEU 325 Ca 0.18 -4.18 -0.45 0.00 -0.03 0.00 0.00 56.01 51.54 1nkt n LEU 325 Cb 0.45 -1.69 -0.04 0.00 -2.33 0.00 0.00 43.42 39.82 1nkt n LEU 325 CO 0.64 0.45 1.29 0.00 -1.33 0.00 0.00 177.39 178.44 1nkt n ILE 326 N 5.51 0.06 0.00 -0.08 0.13 -1.26 -2.96 119.36 120.77 1nkt n ILE 326 Ca 0.43 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 62.07 1nkt n ILE 326 Cb 0.44 -1.74 0.00 0.00 -0.84 0.00 0.00 39.64 37.50 1nkt n ILE 326 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1nkt n GLY 327 N 3.70 3.13 3.78 4.50 0.00 -1.26 -5.05 105.19 113.99 1nkt n GLY 327 Ca 0.17 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1nkt n GLY 327 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt s ARG 328 N 0.00 4.05 0.26 1.61 0.52 -1.15 -4.91 118.95 119.33 1nkt s ARG 328 Ca 0.00 2.50 0.04 0.00 -0.52 0.00 0.00 55.73 57.76 1nkt s ARG 328 Cb 0.00 -2.91 -0.06 0.00 0.52 0.00 0.00 34.95 32.50 1nkt s ARG 328 CO 0.00 -0.56 -0.01 1.03 0.02 0.00 0.00 175.30 175.79 1nkt s ARG 329 N -2.14 1.46 0.60 3.54 0.52 -1.26 -4.56 118.95 117.11 1nkt s ARG 329 Ca 0.54 -1.76 -0.11 0.00 -0.52 0.00 0.00 55.73 53.88 1nkt s ARG 329 Cb -0.45 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 1nkt s ARG 329 CO 0.61 -0.08 1.00 0.71 0.02 0.00 0.00 175.30 177.56 1nkt s TYR 330 N -3.28 3.61 0.12 -0.53 2.02 -1.26 -5.00 117.35 113.02 1nkt s TYR 330 Ca 0.30 1.26 0.04 0.00 -0.37 0.00 0.00 57.07 58.30 1nkt s TYR 330 Cb 0.06 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1nkt s TYR 330 CO 0.11 -0.62 0.11 -0.80 -1.57 0.00 0.00 175.55 172.78 1nkt s ASN 331 N -4.07 5.54 -0.65 2.29 0.01 -1.26 -3.87 114.94 112.93 1nkt s ASN 331 Ca 0.55 -0.06 -0.02 0.00 -0.71 0.00 0.00 52.86 52.62 1nkt s ASN 331 Cb -0.11 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1nkt s ASN 331 CO 0.51 0.13 0.26 -0.62 -1.51 0.00 0.00 177.10 175.87 1nkt n GLU 332 N 0.11 -2.10 -0.60 -0.60 1.02 -1.26 -2.11 120.64 115.10 1nkt n GLU 332 Ca -0.08 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1nkt n GLU 332 Cb 0.53 -4.13 0.00 0.00 -0.02 0.00 0.00 31.44 27.81 1nkt n GLU 332 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nkt n GLY 333 N -1.07 1.78 0.25 0.62 0.00 -1.26 -4.92 105.19 100.59 1nkt n GLY 333 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1nkt n GLY 333 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nkt h MET 334 N 2.56 0.73 -0.68 1.61 2.86 -1.69 -0.45 114.93 119.87 1nkt h MET 334 Ca 0.00 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1nkt h MET 334 Cb 0.00 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 1nkt h MET 334 CO 0.00 0.48 0.41 1.25 1.06 0.00 0.00 176.91 180.11 1nkt h HIS 335 N 0.75 0.76 -0.12 -0.22 2.76 -1.79 0.05 115.15 117.35 1nkt h HIS 335 Ca 0.26 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1nkt h HIS 335 Cb 0.04 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1nkt h HIS 335 CO -0.06 0.41 -0.47 1.96 -1.30 0.00 0.00 177.93 178.48 1nkt h GLN 336 N 0.79 0.31 -0.74 5.26 7.50 -1.82 -0.70 115.11 125.71 1nkt h GLN 336 Ca 0.28 -0.17 0.03 0.00 0.50 0.00 0.00 58.65 59.29 1nkt h GLN 336 Cb 0.08 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.57 1nkt h GLN 336 CO -0.13 0.72 0.47 0.00 -1.50 0.00 0.00 178.83 178.39 1nkt h ALA 337 N 1.25 0.97 -0.01 3.87 0.00 -0.20 -1.13 119.26 124.00 1nkt h ALA 337 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1nkt h ALA 337 Cb 0.93 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1nkt h ALA 337 CO 0.08 0.26 -0.44 0.82 0.00 0.00 0.00 179.25 179.96 1nkt h ILE 338 N 0.91 1.47 -0.70 0.00 2.04 -0.56 -1.78 117.51 118.88 1nkt h ILE 338 Ca 0.30 -1.99 0.15 0.00 1.00 0.00 0.00 64.86 64.32 1nkt h ILE 338 Cb 0.02 2.62 -0.13 0.00 -0.74 0.00 0.00 36.82 38.59 1nkt h ILE 338 CO -0.11 0.57 -0.10 -0.33 0.00 0.00 0.00 178.15 178.18 1nkt h GLU 339 N -0.24 0.04 -0.39 2.37 5.08 -1.01 -0.37 114.58 120.05 1nkt h GLU 339 Ca -0.05 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1nkt h GLU 339 Cb 1.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1nkt h GLU 339 CO 0.09 0.03 -0.22 0.00 -1.00 0.00 0.00 179.01 177.90 1nkt h ALA 340 N 1.69 0.87 0.00 3.43 0.00 -1.11 -1.11 119.26 123.02 1nkt h ALA 340 Ca 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nkt h ALA 340 Cb 0.58 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nkt h ALA 340 CO -0.68 0.63 -0.12 -0.22 0.00 0.00 0.00 179.25 178.86 1nkt h LYS 341 N 0.68 0.00 -0.87 0.00 3.64 -0.33 -1.55 116.57 118.15 1nkt h LYS 341 Ca 0.09 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.09 1nkt h LYS 341 Cb 0.74 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.33 1nkt h LYS 341 CO 0.06 0.12 0.48 0.39 -2.27 0.00 0.00 179.45 178.23 1nkt n GLU 342 N -4.21 2.80 -3.96 1.90 -0.58 -0.27 -4.92 120.64 111.40 1nkt n GLU 342 Ca -0.03 -3.05 -0.33 0.00 -0.42 0.00 0.00 57.16 53.33 1nkt n GLU 342 Cb 0.20 -2.18 -0.06 0.00 -0.57 0.00 0.00 31.44 28.82 1nkt n GLU 342 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nkt n HIS 343 N -0.77 -1.15 -2.93 -0.32 8.25 -0.58 -4.88 115.22 112.84 1nkt n HIS 343 Ca 0.52 0.53 -0.40 0.00 -0.26 0.00 0.00 57.72 58.11 1nkt n HIS 343 Cb 1.54 -1.56 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 1nkt n HIS 343 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nkt s VAL 344 N -2.84 4.59 0.08 1.59 1.01 -0.46 -5.01 120.40 119.35 1nkt s VAL 344 Ca 0.65 1.75 -0.31 0.00 0.00 0.00 0.00 61.98 64.06 1nkt s VAL 344 Cb -0.38 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.75 1nkt s VAL 344 CO 0.79 0.39 1.65 -1.61 0.00 0.00 0.00 175.10 176.33 1nkt s GLU 345 N -0.32 4.20 -0.18 2.72 2.02 -1.26 -4.52 118.70 121.36 1nkt s GLU 345 Ca 0.40 2.34 -0.22 0.00 0.02 0.00 0.00 54.97 57.50 1nkt s GLU 345 Cb -0.22 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1nkt s GLU 345 CO 0.25 -0.73 0.67 -1.50 0.02 0.00 0.00 175.26 173.97 1nkt s ILE 346 N 2.55 5.00 -0.06 -1.63 -1.16 -1.26 -4.97 121.20 119.67 1nkt s ILE 346 Ca 0.74 1.28 -0.30 0.00 -0.51 0.00 0.00 60.65 61.87 1nkt s ILE 346 Cb -0.40 -3.99 -0.07 0.00 0.61 0.00 0.00 42.46 38.62 1nkt s ILE 346 CO 0.32 0.11 1.87 -0.54 -2.81 0.00 0.00 174.94 173.90 1nkt s LYS 347 N 1.83 3.97 -0.18 3.50 3.01 -1.26 -4.97 119.74 125.64 1nkt s LYS 347 Ca 0.31 2.30 -0.29 0.00 -1.01 0.00 0.00 55.97 57.28 1nkt s LYS 347 Cb -0.16 -4.13 -0.03 0.00 -1.01 0.00 0.00 37.83 32.50 1nkt s LYS 347 CO 0.11 -1.13 1.52 0.00 0.51 0.00 0.00 175.35 176.36 1nkt s ALA 348 N 4.97 3.44 0.18 5.17 0.00 -1.26 -5.00 121.76 129.26 1nkt s ALA 348 Ca 0.84 0.54 0.03 0.00 0.00 0.00 0.00 51.96 53.37 1nkt s ALA 348 Cb -0.37 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 18.94 1nkt s ALA 348 CO 0.36 -1.64 -0.03 -1.21 0.00 0.00 0.00 175.76 173.24 1nkt s GLU 349 N 4.23 1.15 0.08 0.00 2.02 -1.26 -5.07 118.70 119.85 1nkt s GLU 349 Ca 0.67 -1.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.11 1nkt s GLU 349 Cb -0.25 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1nkt s GLU 349 CO 0.26 -0.06 0.25 -0.80 0.02 0.00 0.00 175.26 174.93 1nkt s ASN 350 N -3.20 6.38 0.17 -0.19 0.01 -1.26 -1.56 114.94 115.29 1nkt s ASN 350 Ca 0.23 0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 52.64 1nkt s ASN 350 Cb 0.05 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.71 1nkt s ASN 350 CO 0.04 0.14 0.24 0.00 -1.51 0.00 0.00 177.10 176.00 1nkt s GLN 351 N -2.60 1.16 0.19 -0.60 -2.07 0.27 -4.86 119.66 111.16 1nkt s GLN 351 Ca 0.36 -1.30 -0.31 0.00 -1.82 0.00 0.00 55.36 52.29 1nkt s GLN 351 Cb -0.13 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 32.04 1nkt s GLN 351 CO 0.27 -0.41 1.54 0.99 -1.32 0.00 0.00 175.29 176.36 1nkt s THR 352 N -4.02 2.61 -0.10 3.63 2.01 -1.26 -1.23 115.64 117.28 1nkt s THR 352 Ca 0.22 0.46 0.08 0.00 0.31 0.00 0.00 61.69 62.76 1nkt s THR 352 Cb 0.04 -3.29 -0.12 0.00 0.01 0.00 0.00 72.50 69.14 1nkt s THR 352 CO 0.03 0.05 0.01 0.18 -0.69 0.00 0.00 174.62 174.20 1nkt n LEU 353 N 3.50 0.47 -3.62 4.42 4.77 0.20 -4.57 117.00 122.16 1nkt n LEU 353 Ca 0.12 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1nkt n LEU 353 Cb 0.39 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1nkt n LEU 353 CO 0.61 0.32 0.43 0.00 -1.33 0.00 0.00 177.39 177.42 1nkt s ALA 354 N -2.25 -1.78 0.06 -1.18 0.00 -1.04 -4.97 121.76 110.60 1nkt s ALA 354 Ca -0.07 1.94 -0.07 0.00 0.00 0.00 0.00 51.96 53.76 1nkt s ALA 354 Cb 0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1nkt s ALA 354 CO 0.39 -0.34 0.13 0.99 0.00 0.00 0.00 175.76 176.93 1nkt s THR 355 N 0.18 0.14 -0.05 0.00 2.01 -1.26 -0.92 115.64 115.75 1nkt s THR 355 Ca -0.01 -1.18 -0.31 0.00 0.31 0.00 0.00 61.69 60.50 1nkt s THR 355 Cb -0.04 -1.13 0.07 0.00 0.01 0.00 0.00 72.50 71.41 1nkt s THR 355 CO 0.02 -0.65 0.67 -0.51 -0.69 0.00 0.00 174.62 173.46 1nkt s ILE 356 N -3.19 0.00 0.57 1.82 2.07 -1.05 -5.03 121.20 116.40 1nkt s ILE 356 Ca -0.00 -0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.14 1nkt s ILE 356 Cb 0.02 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1nkt s ILE 356 CO -0.07 -0.01 0.93 0.42 -1.91 0.00 0.00 174.94 174.30 1nkt s THR 357 N -1.22 4.67 0.30 4.00 -4.23 -1.26 -0.68 115.64 117.23 1nkt s THR 357 Ca -0.11 0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1nkt s THR 357 Cb -0.00 -3.82 0.25 0.00 1.34 0.00 0.00 72.50 70.27 1nkt s THR 357 CO 0.10 -0.96 1.96 -0.07 -0.54 0.00 0.00 174.62 175.11 1nkt h LEU 358 N -0.11 0.90 0.61 4.79 3.38 -1.84 -1.10 115.31 121.95 1nkt h LEU 358 Ca -0.45 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1nkt h LEU 358 Cb 1.20 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1nkt h LEU 358 CO 0.62 0.67 -0.35 1.56 0.09 0.00 0.00 178.44 181.03 1nkt h GLN 359 N 1.06 -0.86 0.00 1.13 7.50 -1.91 -0.40 115.11 121.63 1nkt h GLN 359 Ca 0.28 0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.45 1nkt h GLN 359 Cb -0.09 0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1nkt h GLN 359 CO -0.06 -0.57 -0.17 -0.91 -1.50 0.00 0.00 178.83 175.61 1nkt h ASN 360 N -0.89 0.00 0.45 1.46 2.35 -1.94 -1.93 115.58 115.07 1nkt h ASN 360 Ca -0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1nkt h ASN 360 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1nkt h ASN 360 CO 0.09 0.17 -0.22 0.22 -1.65 0.00 0.00 177.43 176.05 1nkt h TYR 361 N 0.00 -0.56 0.00 1.19 3.20 -0.76 -3.27 116.97 116.77 1nkt h TYR 361 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1nkt h TYR 361 Cb 0.52 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1nkt h TYR 361 CO 0.00 -0.24 -0.04 0.74 -1.64 0.00 0.00 178.16 176.98 1nkt h PHE 362 N -0.96 0.00 0.00 -3.82 0.04 -1.03 -0.89 116.94 110.28 1nkt h PHE 362 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1nkt h PHE 362 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1nkt h PHE 362 CO 0.02 0.04 0.00 0.54 -0.60 0.00 0.00 178.31 178.31 1nkt n ARG 363 N -3.19 0.13 0.05 1.51 1.74 -0.73 -2.90 116.66 113.27 1nkt n ARG 363 Ca -0.00 0.56 -0.03 0.00 -0.77 0.00 0.00 57.85 57.61 1nkt n ARG 363 Cb 0.28 -1.87 0.20 0.00 -1.02 0.00 0.00 32.46 30.05 1nkt n ARG 363 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1nkt h LEU 364 N 0.00 0.39 -9.98 0.55 3.38 -1.24 -3.46 115.31 104.95 1nkt h LEU 364 Ca 0.00 -0.15 -0.53 0.00 0.09 0.00 0.00 57.88 57.29 1nkt h LEU 364 Cb 0.09 -0.11 0.09 0.00 0.09 0.00 0.00 40.66 40.82 1nkt h LEU 364 CO 0.00 0.71 0.58 -0.31 0.09 0.00 0.00 178.44 179.52 1nkt s TYR 365 N -4.31 2.73 0.28 1.13 1.51 -1.14 -4.79 117.35 112.76 1nkt s TYR 365 Ca -0.06 1.43 0.11 0.00 -1.01 0.00 0.00 57.07 57.54 1nkt s TYR 365 Cb 0.13 -3.63 0.41 0.00 -0.11 0.00 0.00 41.96 38.76 1nkt s TYR 365 CO 0.79 -2.12 1.64 -0.44 -1.11 0.00 0.00 175.55 174.31 1nkt h ASP 366 N 2.31 0.00 -3.47 2.29 3.32 -1.05 -3.43 116.42 116.40 1nkt h ASP 366 Ca -0.50 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.17 1nkt h ASP 366 Cb 1.26 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.47 1nkt h ASP 366 CO 0.61 0.58 -0.76 -0.75 -1.72 0.00 0.00 179.24 177.20 1nkt s LYS 367 N -3.68 0.62 -0.05 3.56 2.20 -0.75 -5.04 119.74 116.60 1nkt s LYS 367 Ca -0.01 -0.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1nkt s LYS 367 Cb 0.13 -0.71 -0.01 0.00 -1.51 0.00 0.00 37.83 35.73 1nkt s LYS 367 CO 0.76 -0.11 -0.25 -1.17 -0.36 0.00 0.00 175.35 174.22 1nkt s LEU 368 N 0.98 2.08 0.27 5.43 2.96 -1.26 -1.45 118.68 127.69 1nkt s LEU 368 Ca -0.10 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1nkt s LEU 368 Cb -0.14 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1nkt s LEU 368 CO -0.01 0.27 0.37 0.00 -1.32 0.00 0.00 176.35 175.66 1nkt s ALA 369 N -0.29 0.63 0.02 5.97 0.00 -0.20 -4.11 121.76 123.78 1nkt s ALA 369 Ca 0.00 -1.40 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 1nkt s ALA 369 Cb -0.13 1.22 0.10 0.00 0.00 0.00 0.00 23.12 24.30 1nkt s ALA 369 CO 0.02 -0.75 0.82 0.20 0.00 0.00 0.00 175.76 176.06 1nkt s GLY 370 N -3.15 -0.49 0.03 0.00 0.00 -1.09 -0.27 107.32 102.35 1nkt s GLY 370 Ca 0.31 0.96 0.02 0.00 0.00 0.00 0.00 44.72 46.01 1nkt s GLY 370 CO 0.15 0.35 -0.08 1.06 0.00 0.00 0.00 173.10 174.58 1nkt s MET 371 N -3.09 0.56 -0.03 2.90 -1.94 -0.51 -1.40 119.30 115.80 1nkt s MET 371 Ca 0.03 -0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 53.08 1nkt s MET 371 Cb -0.01 -0.41 0.11 0.00 2.01 0.00 0.00 34.83 36.53 1nkt s MET 371 CO -0.09 0.09 0.94 -0.08 -0.01 0.00 0.00 175.02 175.87 1nkt s THR 372 N -1.04 0.00 -0.04 2.05 -1.32 -1.08 -1.00 115.64 113.22 1nkt s THR 372 Ca -0.06 -0.03 0.24 0.00 -1.21 0.00 0.00 61.69 60.63 1nkt s THR 372 Cb -0.08 -1.04 0.25 0.00 -1.51 0.00 0.00 72.50 70.12 1nkt s THR 372 CO 0.00 0.00 1.74 1.23 -2.21 0.00 0.00 174.62 175.38 1nkt h GLY 373 N 2.00 0.00 -6.98 6.08 0.00 -1.85 0.33 103.07 102.66 1nkt h GLY 373 Ca -0.20 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.66 1nkt h GLY 373 CO 0.29 0.00 -0.75 -0.51 0.00 0.00 0.00 176.54 175.57 1nkt s THR 374 N -3.43 -0.10 0.00 4.70 -4.23 -1.26 -4.52 115.64 106.80 1nkt s THR 374 Ca 0.03 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1nkt s THR 374 Cb 0.08 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.25 1nkt s THR 374 CO 0.65 -0.38 0.00 0.00 -0.54 0.00 0.00 174.62 174.35 1nkt n ALA 375 N 5.27 0.83 -0.30 3.99 0.00 -1.26 -4.61 120.51 124.43 1nkt n ALA 375 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.53 1nkt n ALA 375 Cb 0.47 0.01 0.41 0.00 0.00 0.00 0.00 19.45 20.34 1nkt n ALA 375 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nkt h GLN 376 N 0.00 0.58 0.00 0.00 1.08 -1.96 0.39 115.11 115.20 1nkt h GLN 376 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1nkt h GLN 376 Cb 0.03 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1nkt h GLN 376 CO 0.00 0.38 0.00 1.79 -0.95 0.00 0.00 178.83 180.05 1nkt h THR 377 N 0.60 0.00 -0.39 -0.54 1.35 -2.02 -2.81 112.91 109.10 1nkt h THR 377 Ca 0.52 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1nkt h THR 377 Cb 1.01 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1nkt h THR 377 CO -0.27 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.38 1nkt n GLU 378 N -2.33 2.37 -0.10 4.72 -0.58 0.13 -4.75 120.64 120.10 1nkt n GLU 378 Ca 0.02 -2.17 -0.05 0.00 -0.42 0.00 0.00 57.16 54.54 1nkt n GLU 378 Cb 0.23 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1nkt n GLU 378 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nkt h ALA 379 N 3.69 0.31 -0.71 0.62 0.00 -1.20 -0.18 119.26 121.79 1nkt h ALA 379 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nkt h ALA 379 Cb 0.88 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1nkt h ALA 379 CO 0.00 -0.41 0.44 0.00 0.00 0.00 0.00 179.25 179.28 1nkt h ALA 380 N 1.32 0.93 -0.12 0.00 0.00 -1.85 -0.80 119.26 118.73 1nkt h ALA 380 Ca 0.17 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1nkt h ALA 380 Cb 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nkt h ALA 380 CO -0.31 0.21 -0.58 1.49 0.00 0.00 0.00 179.25 180.07 1nkt h GLU 381 N 0.86 0.60 -0.51 0.00 4.81 -1.65 0.53 114.58 119.23 1nkt h GLU 381 Ca 0.29 -0.49 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1nkt h GLU 381 Cb 0.03 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1nkt h GLU 381 CO -0.11 1.11 0.36 -0.07 -0.73 0.00 0.00 179.01 179.57 1nkt h LEU 382 N 0.25 0.09 0.14 1.64 3.38 -0.73 -0.84 115.31 119.23 1nkt h LEU 382 Ca -0.04 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 1nkt h LEU 382 Cb 1.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1nkt h LEU 382 CO 0.12 0.05 -1.57 -0.74 0.09 0.00 0.00 178.44 176.39 1nkt h HIS 383 N 0.09 0.53 -0.46 1.13 2.76 -0.55 -1.82 115.15 116.83 1nkt h HIS 383 Ca 0.24 -0.39 -0.01 0.00 -2.20 0.00 0.00 60.37 58.01 1nkt h HIS 383 Cb 0.83 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 1nkt h HIS 383 CO -0.00 1.62 0.23 1.49 -1.30 0.00 0.00 177.93 179.97 1nkt h GLU 384 N -0.15 0.66 0.15 5.26 4.81 -0.60 -2.30 114.58 122.42 1nkt h GLU 384 Ca -0.33 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 58.49 1nkt h GLU 384 Cb 1.89 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1nkt h GLU 384 CO 0.10 0.55 -1.62 0.82 -0.73 0.00 0.00 179.01 178.12 1nkt h ILE 385 N 0.61 0.94 -0.01 2.32 1.08 -1.29 -3.40 117.51 117.75 1nkt h ILE 385 Ca 0.16 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 1nkt h ILE 385 Cb 0.10 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1nkt h ILE 385 CO -0.02 0.79 -0.09 -1.22 -0.69 0.00 0.00 178.15 176.92 1nkt n TYR 386 N -3.74 0.00 -3.98 1.37 4.01 -0.94 -4.98 117.16 108.90 1nkt n TYR 386 Ca -0.26 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.20 1nkt n TYR 386 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.01 1nkt n TYR 386 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1nkt n LYS 387 N -0.15 -3.90 -4.24 -0.72 4.76 -0.86 -4.98 118.16 108.06 1nkt n LYS 387 Ca 0.03 0.46 -0.34 0.00 -2.87 0.00 0.00 58.31 55.59 1nkt n LYS 387 Cb 0.13 -4.94 -0.11 0.00 -1.84 0.00 0.00 35.03 28.27 1nkt n LYS 387 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nkt s LEU 388 N -7.07 3.46 0.35 -0.35 1.43 -0.73 -4.96 118.68 110.81 1nkt s LEU 388 Ca 0.32 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1nkt s LEU 388 Cb -0.17 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1nkt s LEU 388 CO 0.88 0.17 0.55 -0.83 0.23 0.00 0.00 176.35 177.34 1nkt s GLY 389 N 0.39 1.35 -0.13 -3.19 0.00 -1.26 -3.49 107.32 100.99 1nkt s GLY 389 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.80 1nkt s GLY 389 CO 0.02 -0.87 -0.22 0.14 0.00 0.00 0.00 173.10 172.17 1nkt s VAL 390 N -2.32 2.05 -0.15 1.40 1.01 -1.26 -0.35 120.40 120.78 1nkt s VAL 390 Ca 0.40 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1nkt s VAL 390 Cb -0.10 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 1nkt s VAL 390 CO 0.36 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 175.17 1nkt s VAL 391 N 0.69 2.71 -0.54 2.92 1.01 0.09 -4.82 120.40 122.45 1nkt s VAL 391 Ca -0.10 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1nkt s VAL 391 Cb -0.16 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.11 1nkt s VAL 391 CO 0.01 0.51 1.01 -0.44 0.00 0.00 0.00 175.10 176.20 1nkt s SER 392 N 0.77 6.40 0.03 3.32 0.01 -1.26 -0.51 113.70 122.46 1nkt s SER 392 Ca -0.06 -0.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 1nkt s SER 392 Cb -0.15 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1nkt s SER 392 CO 0.01 -1.27 1.16 -0.63 0.41 0.00 0.00 173.24 172.92 1nkt s ILE 393 N 4.21 4.21 0.47 1.44 -1.09 -0.84 -4.98 121.20 124.62 1nkt s ILE 393 Ca 0.35 1.58 -0.24 0.00 -2.23 0.00 0.00 60.65 60.12 1nkt s ILE 393 Cb -0.11 -4.01 -0.08 0.00 -1.58 0.00 0.00 42.46 36.68 1nkt s ILE 393 CO 0.22 0.10 1.22 -0.81 -1.23 0.00 0.00 174.94 174.44 1nkt n PRO 394 N 4.12 1.67 -2.02 2.79 -0.04 -1.26 -4.80 135.00 135.46 1nkt n PRO 394 Ca 0.09 0.60 -0.36 0.00 -0.04 0.00 0.00 63.50 63.79 1nkt n PRO 394 Cb 0.47 -2.35 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1nkt n PRO 394 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1nkt s THR 395 N -1.27 2.63 0.03 0.52 2.01 -1.26 -4.89 115.64 113.41 1nkt s THR 395 Ca 0.65 0.41 -0.26 0.00 0.31 0.00 0.00 61.69 62.80 1nkt s THR 395 Cb -0.48 -3.17 -0.17 0.00 0.01 0.00 0.00 72.50 68.68 1nkt s THR 395 CO 0.55 -0.07 1.37 -1.13 -0.69 0.00 0.00 174.62 174.65 1nkt h ASN 396 N 1.08 -0.38 -2.69 3.53 -0.00 -1.95 -3.44 115.58 111.74 1nkt h ASN 396 Ca -0.50 -0.13 -0.57 0.00 -0.00 0.00 0.00 56.30 55.10 1nkt h ASN 396 Cb 1.29 0.10 -0.08 0.00 -0.00 0.00 0.00 38.32 39.63 1nkt h ASN 396 CO 0.56 -0.08 -0.58 -0.04 -0.00 0.00 0.00 177.43 177.29 1nkt s MET 397 N -5.10 2.81 -0.06 6.67 -1.94 -1.26 -5.07 119.30 115.36 1nkt s MET 397 Ca -0.15 -0.93 -0.35 0.00 -1.71 0.00 0.00 55.69 52.55 1nkt s MET 397 Cb 0.03 -2.59 -0.13 0.00 2.01 0.00 0.00 34.83 34.15 1nkt s MET 397 CO 0.58 0.47 1.76 -0.35 -0.01 0.00 0.00 175.02 177.47 1nkt n PRO 398 N -0.37 1.94 -2.33 2.03 -0.04 -1.26 -4.47 135.00 130.48 1nkt n PRO 398 Ca -0.08 0.71 -0.42 0.00 -0.04 0.00 0.00 63.50 63.66 1nkt n PRO 398 Cb 0.55 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 1nkt n PRO 398 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1nkt s MET 399 N 3.10 4.35 -0.02 0.54 1.75 -1.26 -4.28 119.30 123.48 1nkt s MET 399 Ca 0.90 1.85 0.02 0.00 -1.25 0.00 0.00 55.69 57.22 1nkt s MET 399 Cb -0.77 -3.45 0.04 0.00 2.84 0.00 0.00 34.83 33.48 1nkt s MET 399 CO 0.51 -0.42 0.81 0.44 -0.65 0.00 0.00 175.02 175.70 1nkt n ILE 400 N 4.32 0.45 -1.64 10.11 -5.35 -1.26 -5.07 119.36 120.92 1nkt n ILE 400 Ca 0.11 -0.50 -0.45 0.00 -0.27 0.00 0.00 62.75 61.64 1nkt n ILE 400 Cb 0.45 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1nkt n ILE 400 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1nkt n ARG 401 N -0.29 1.70 -3.22 6.28 0.63 -1.26 -4.52 116.66 115.98 1nkt n ARG 401 Ca 0.02 0.60 -0.42 0.00 -0.92 0.00 0.00 57.85 57.13 1nkt n ARG 401 Cb 0.51 -2.15 -0.08 0.00 0.45 0.00 0.00 32.46 31.20 1nkt n ARG 401 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1nkt s GLU 402 N -0.89 3.32 -0.69 -0.14 2.02 0.23 -4.93 118.70 117.61 1nkt s GLU 402 Ca 0.65 -0.44 -0.19 0.00 0.02 0.00 0.00 54.97 55.01 1nkt s GLU 402 Cb -0.69 -3.92 0.12 0.00 0.10 0.00 0.00 34.13 29.74 1nkt s GLU 402 CO 0.55 -0.85 0.83 -0.51 0.02 0.00 0.00 175.26 175.29 1nkt s ASP 403 N 1.87 6.33 0.69 -0.19 1.01 -1.26 -0.87 116.67 124.25 1nkt s ASP 403 Ca 0.18 -1.64 -0.13 0.00 0.71 0.00 0.00 52.55 51.67 1nkt s ASP 403 Cb -0.15 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.46 1nkt s ASP 403 CO 0.16 -1.09 1.08 -1.10 0.21 0.00 0.00 175.17 174.43 1nkt s GLN 404 N 2.59 2.74 0.56 8.23 -1.52 0.37 -4.96 119.66 127.68 1nkt s GLN 404 Ca 0.18 1.20 -0.20 0.00 -1.95 0.00 0.00 55.36 54.59 1nkt s GLN 404 Cb -0.18 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 1nkt s GLN 404 CO 0.02 -1.27 1.24 -1.12 -0.25 0.00 0.00 175.29 173.91 1nkt s SER 405 N -3.12 5.32 0.28 5.90 0.01 -1.26 -4.63 113.70 116.21 1nkt s SER 405 Ca 0.63 2.49 -0.29 0.00 1.31 0.00 0.00 55.95 60.08 1nkt s SER 405 Cb -0.17 -2.61 -0.13 0.00 0.21 0.00 0.00 66.02 63.31 1nkt s SER 405 CO 0.48 -1.51 1.23 0.47 0.41 0.00 0.00 173.24 174.32 1nkt n ASP 406 N -1.29 2.21 -4.54 2.44 8.00 -1.26 -4.61 116.55 117.49 1nkt n ASP 406 Ca 0.12 1.18 -0.38 0.00 0.71 0.00 0.00 54.79 56.41 1nkt n ASP 406 Cb 0.48 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.08 1nkt n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nkt s LEU 407 N -0.13 4.04 -0.13 0.64 1.43 -0.80 -5.01 118.68 118.72 1nkt s LEU 407 Ca 0.62 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1nkt s LEU 407 Cb -0.66 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1nkt s LEU 407 CO 0.57 -0.10 -0.04 -0.63 0.23 0.00 0.00 176.35 176.38 1nkt s ILE 408 N 1.72 3.90 0.19 -0.59 1.01 -1.26 -0.07 121.20 126.09 1nkt s ILE 408 Ca 0.07 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.46 1nkt s ILE 408 Cb -0.16 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1nkt s ILE 408 CO 0.09 0.52 -0.24 -0.31 0.00 0.00 0.00 174.94 175.01 1nkt s TYR 409 N 0.03 2.26 0.39 3.97 2.02 0.30 -0.86 117.35 125.47 1nkt s TYR 409 Ca 0.00 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 1nkt s TYR 409 Cb -0.13 -1.13 0.79 0.00 -0.40 0.00 0.00 41.96 41.09 1nkt s TYR 409 CO 0.03 0.48 1.99 0.87 -1.57 0.00 0.00 175.55 177.35 1nkt h LYS 410 N 3.23 0.48 -4.76 -0.62 1.57 -1.86 -0.11 116.57 114.50 1nkt h LYS 410 Ca -0.46 -0.06 -0.28 0.00 -1.87 0.00 0.00 60.65 57.98 1nkt h LYS 410 Cb 1.21 -0.09 -0.18 0.00 0.08 0.00 0.00 32.23 33.24 1nkt h LYS 410 CO 0.48 0.40 -0.72 0.95 -0.57 0.00 0.00 179.45 179.99 1nkt s THR 411 N -5.24 0.74 0.17 -0.16 -4.23 -1.26 -3.99 115.64 101.67 1nkt s THR 411 Ca -0.08 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 1nkt s THR 411 Cb 0.17 -1.18 0.06 0.00 1.34 0.00 0.00 72.50 72.89 1nkt s THR 411 CO 0.74 -0.57 1.79 -0.33 -0.54 0.00 0.00 174.62 175.71 1nkt h GLU 412 N 3.75 0.48 -0.80 3.99 5.08 -1.87 -2.10 114.58 123.11 1nkt h GLU 412 Ca -0.36 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1nkt h GLU 412 Cb 1.19 -0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.22 1nkt h GLU 412 CO 0.51 0.32 0.28 1.49 -1.00 0.00 0.00 179.01 180.61 1nkt h GLU 413 N 0.49 0.35 -0.00 2.33 4.81 -1.99 -1.30 114.58 119.27 1nkt h GLU 413 Ca 0.21 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1nkt h GLU 413 Cb 0.10 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1nkt h GLU 413 CO -0.14 0.23 -0.22 0.00 -0.73 0.00 0.00 179.01 178.16 1nkt h ALA 414 N 1.63 0.03 -0.80 2.92 0.00 -1.80 -2.74 119.26 118.50 1nkt h ALA 414 Ca 0.46 -0.45 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1nkt h ALA 414 Cb 0.80 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 1nkt h ALA 414 CO -0.49 0.06 -0.36 -0.22 0.00 0.00 0.00 179.25 178.24 1nkt h LYS 415 N -0.52 -0.08 -0.49 0.00 3.64 -0.94 -1.12 116.57 117.06 1nkt h LYS 415 Ca -0.03 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1nkt h LYS 415 Cb 0.97 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1nkt h LYS 415 CO 0.04 -0.05 -0.06 1.88 -2.27 0.00 0.00 179.45 178.99 1nkt h TYR 416 N -0.08 0.95 -0.79 1.91 0.05 -1.23 0.76 116.97 118.54 1nkt h TYR 416 Ca 0.29 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 1nkt h TYR 416 Cb 0.57 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1nkt h TYR 416 CO -0.76 0.90 0.36 0.97 -1.05 0.00 0.00 178.16 178.58 1nkt h ILE 417 N 0.79 1.25 -0.75 -2.88 2.10 -1.13 -1.09 117.51 115.80 1nkt h ILE 417 Ca 0.14 -0.73 -0.03 0.00 1.08 0.00 0.00 64.86 65.32 1nkt h ILE 417 Cb 0.57 0.27 -0.03 0.00 -1.09 0.00 0.00 36.82 36.53 1nkt h ILE 417 CO 0.03 0.31 0.34 0.00 -1.08 0.00 0.00 178.15 177.75 1nkt h ALA 418 N 1.19 1.18 -0.03 0.18 0.00 -0.37 -2.15 119.26 119.26 1nkt h ALA 418 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nkt h ALA 418 Cb 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1nkt h ALA 418 CO -0.03 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.12 1nkt h VAL 419 N 1.07 1.14 0.00 0.00 2.07 -0.72 -2.55 116.25 117.26 1nkt h VAL 419 Ca 0.26 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1nkt h VAL 419 Cb 0.14 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1nkt h VAL 419 CO -0.03 0.11 -0.26 0.58 0.02 0.00 0.00 177.57 177.99 1nkt h VAL 420 N -0.12 0.97 -0.09 2.57 2.07 -1.12 -0.70 116.25 119.83 1nkt h VAL 420 Ca 0.01 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1nkt h VAL 420 Cb 0.17 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1nkt h VAL 420 CO -0.00 0.26 -0.17 0.44 0.02 0.00 0.00 177.57 178.12 1nkt h ASP 421 N 0.00 0.30 0.50 0.57 5.19 -1.28 -0.78 116.42 120.92 1nkt h ASP 421 Ca -0.00 -0.55 -0.01 0.00 -0.62 0.00 0.00 57.03 55.84 1nkt h ASP 421 Cb 0.54 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1nkt h ASP 421 CO 0.03 0.80 -0.43 -0.78 -3.12 0.00 0.00 179.24 175.74 1nkt h ASP 422 N -0.18 -1.16 -0.77 6.45 1.82 -1.13 -1.90 116.42 119.54 1nkt h ASP 422 Ca 0.00 0.09 0.18 0.00 -0.39 0.00 0.00 57.03 56.91 1nkt h ASP 422 Cb 0.75 0.38 -0.12 0.00 0.68 0.00 0.00 39.33 41.02 1nkt h ASP 422 CO 0.04 -0.61 0.19 0.58 -1.61 0.00 0.00 179.24 177.83 1nkt h VAL 423 N -0.93 0.47 -0.39 2.25 2.07 -1.11 0.64 116.25 119.24 1nkt h VAL 423 Ca -0.05 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1nkt h VAL 423 Cb 0.80 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1nkt h VAL 423 CO -0.03 0.05 0.17 0.00 0.02 0.00 0.00 177.57 177.79 1nkt h ALA 424 N 1.65 0.50 -0.23 1.67 0.00 -0.82 -0.88 119.26 121.15 1nkt h ALA 424 Ca 0.45 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1nkt h ALA 424 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1nkt h ALA 424 CO -0.54 0.08 0.12 0.93 0.00 0.00 0.00 179.25 179.84 1nkt h GLU 425 N 0.49 0.25 -0.98 0.00 5.08 -0.42 -2.15 114.58 116.84 1nkt h GLU 425 Ca 0.13 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1nkt h GLU 425 Cb 0.15 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1nkt h GLU 425 CO -0.01 0.16 0.65 0.00 -1.00 0.00 0.00 179.01 178.80 1nkt h ARG 426 N 0.25 1.23 -0.41 2.33 2.47 -0.56 -2.66 114.38 117.03 1nkt h ARG 426 Ca 0.09 -0.07 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 1nkt h ARG 426 Cb 0.02 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.05 1nkt h ARG 426 CO -0.06 0.82 -0.34 -0.92 0.56 0.00 0.00 179.97 180.02 1nkt h TYR 427 N 1.27 1.13 -0.93 3.04 3.20 -0.99 -1.65 116.97 122.05 1nkt h TYR 427 Ca 0.38 -0.32 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1nkt h TYR 427 Cb -0.04 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 1nkt h TYR 427 CO -0.00 1.15 0.60 0.00 -1.64 0.00 0.00 178.16 178.27 1nkt h ALA 428 N 0.81 1.21 0.00 1.82 0.00 -1.12 -1.46 119.26 120.52 1nkt h ALA 428 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nkt h ALA 428 Cb 0.93 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nkt h ALA 428 CO 0.09 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.46 1nkt n LYS 429 N -4.49 0.36 -0.03 0.00 5.02 -1.03 -4.91 118.16 113.08 1nkt n LYS 429 Ca 0.12 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1nkt n LYS 429 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1nkt n LYS 429 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nkt n GLY 430 N 0.97 1.90 3.67 0.72 0.00 -0.55 -4.93 105.19 106.98 1nkt n GLY 430 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1nkt n GLY 430 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nkt s GLN 431 N -0.35 4.22 0.33 1.61 0.74 -0.67 -1.55 119.66 123.98 1nkt s GLN 431 Ca 0.00 2.07 -0.29 0.00 0.05 0.00 0.00 55.36 57.19 1nkt s GLN 431 Cb 0.00 -3.80 -0.10 0.00 1.10 0.00 0.00 33.01 30.20 1nkt s GLN 431 CO 0.00 -0.74 1.34 -1.25 -0.55 0.00 0.00 175.29 174.09 1nkt s PRO 432 N 3.38 4.32 -0.04 1.67 0.04 -1.26 -4.31 135.00 138.79 1nkt s PRO 432 Ca 0.68 2.26 0.05 0.00 0.04 0.00 0.00 61.00 64.04 1nkt s PRO 432 Cb -0.32 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1nkt s PRO 432 CO 0.27 -0.25 -0.19 0.08 0.04 0.00 0.00 177.00 176.94 1nkt s VAL 433 N -1.01 1.58 -0.27 -0.36 1.01 0.61 -1.66 120.40 120.30 1nkt s VAL 433 Ca 0.50 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1nkt s VAL 433 Cb -0.41 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1nkt s VAL 433 CO 0.53 0.45 0.06 -0.22 0.00 0.00 0.00 175.10 175.92 1nkt s LEU 434 N -0.12 3.61 -0.19 3.92 0.20 -0.20 -1.19 118.68 124.71 1nkt s LEU 434 Ca -0.01 -0.57 -0.05 0.00 0.69 0.00 0.00 54.13 54.18 1nkt s LEU 434 Cb -0.11 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 1nkt s LEU 434 CO 0.02 -0.13 0.00 -0.63 -0.29 0.00 0.00 176.35 175.32 1nkt s ILE 435 N 1.51 4.06 -0.12 6.68 1.09 0.13 -0.29 121.20 134.26 1nkt s ILE 435 Ca 0.04 -0.28 -0.05 0.00 -1.10 0.00 0.00 60.65 59.26 1nkt s ILE 435 Cb -0.16 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 1nkt s ILE 435 CO 0.02 0.44 0.05 -0.83 -0.10 0.00 0.00 174.94 174.52 1nkt s GLY 436 N 0.83 1.95 0.00 6.18 0.00 -0.67 0.59 107.32 116.20 1nkt s GLY 436 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1nkt s GLY 436 CO 0.02 -0.35 0.00 -1.30 0.00 0.00 0.00 173.10 171.47 1nkt n THR 437 N 2.47 0.00 -0.92 0.90 -2.24 -1.09 -1.22 114.28 112.18 1nkt n THR 437 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nkt n THR 437 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1nkt n THR 437 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1nkt n THR 438 N 0.00 0.00 -3.86 4.28 -1.04 -1.26 -2.07 114.28 110.34 1nkt n THR 438 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1nkt n THR 438 Cb 0.00 1.48 -0.09 0.00 -1.82 0.00 0.00 70.33 69.89 1nkt n THR 438 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nkt s SER 439 N 0.00 0.02 0.22 8.00 1.04 -1.26 -4.69 113.70 117.03 1nkt s SER 439 Ca 0.00 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.08 1nkt s SER 439 Cb 0.00 0.25 0.24 0.00 0.10 0.00 0.00 66.02 66.60 1nkt s SER 439 CO 0.00 -0.46 1.84 0.58 0.98 0.00 0.00 173.24 176.18 1nkt h VAL 440 N 3.89 1.05 -0.55 5.02 2.07 -1.96 -1.71 116.25 124.06 1nkt h VAL 440 Ca -0.31 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1nkt h VAL 440 Cb 1.19 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1nkt h VAL 440 CO 0.44 0.15 0.25 -0.08 0.02 0.00 0.00 177.57 178.35 1nkt h GLU 441 N 0.84 0.46 -0.08 1.57 4.81 -1.98 0.27 114.58 120.47 1nkt h GLU 441 Ca 0.31 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1nkt h GLU 441 Cb 0.10 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1nkt h GLU 441 CO -0.14 0.30 -0.08 0.00 -0.73 0.00 0.00 179.01 178.37 1nkt h ARG 442 N 0.47 0.19 -0.90 1.92 2.47 -1.89 -1.23 114.38 115.42 1nkt h ARG 442 Ca 0.25 -0.10 0.22 0.00 -1.26 0.00 0.00 59.98 59.09 1nkt h ARG 442 Cb 0.22 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.42 1nkt h ARG 442 CO -0.21 0.62 0.41 0.77 0.56 0.00 0.00 179.97 182.12 1nkt h SER 443 N -0.23 0.37 -0.20 7.04 0.02 -1.00 -0.46 113.55 119.09 1nkt h SER 443 Ca 0.01 0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1nkt h SER 443 Cb 0.58 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1nkt h SER 443 CO 0.02 0.02 -0.20 -0.08 -1.14 0.00 0.00 176.83 175.45 1nkt h GLU 444 N 0.43 0.65 -0.50 3.45 4.57 -0.09 0.03 114.58 123.11 1nkt h GLU 444 Ca 0.56 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 1nkt h GLU 444 Cb 1.05 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1nkt h GLU 444 CO -0.51 0.81 0.23 -0.92 -1.18 0.00 0.00 179.01 177.44 1nkt h TYR 445 N 0.58 0.73 -0.24 0.92 3.20 0.05 -1.72 116.97 120.49 1nkt h TYR 445 Ca 0.09 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1nkt h TYR 445 Cb 0.66 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1nkt h TYR 445 CO 0.03 0.59 -0.01 1.25 -1.64 0.00 0.00 178.16 178.38 1nkt h LEU 446 N 0.67 0.42 -0.82 2.82 5.85 -0.82 -1.90 115.31 121.53 1nkt h LEU 446 Ca 0.17 -0.32 0.19 0.00 0.84 0.00 0.00 57.88 58.77 1nkt h LEU 446 Cb 0.14 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 40.91 1nkt h LEU 446 CO -0.02 0.64 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.43 1nkt h SER 447 N 0.19 -0.40 -0.20 1.25 0.87 -0.91 0.61 113.55 114.96 1nkt h SER 447 Ca 0.07 0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.75 1nkt h SER 447 Cb 0.43 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1nkt h SER 447 CO 0.01 -0.22 -0.19 0.03 -0.53 0.00 0.00 176.83 175.93 1nkt h ARG 448 N 0.08 0.64 -0.44 2.24 3.08 -0.67 -1.17 114.38 118.15 1nkt h ARG 448 Ca 0.46 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1nkt h ARG 448 Cb 0.84 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1nkt h ARG 448 CO -0.74 0.80 -0.11 1.96 -1.07 0.00 0.00 179.97 180.80 1nkt h GLN 449 N 0.57 0.86 -0.42 0.04 1.08 -0.48 -1.90 115.11 114.85 1nkt h GLN 449 Ca 0.09 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1nkt h GLN 449 Cb 0.65 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1nkt h GLN 449 CO 0.05 0.97 0.19 0.74 -0.95 0.00 0.00 178.83 179.82 1nkt h PHE 450 N 0.69 0.62 -0.93 2.96 0.04 -0.68 -0.62 116.94 119.01 1nkt h PHE 450 Ca 0.11 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.87 1nkt h PHE 450 Cb 0.66 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1nkt h PHE 450 CO 0.05 0.52 0.61 1.15 -0.60 0.00 0.00 178.31 180.04 1nkt h THR 451 N 0.53 1.20 0.00 -1.55 2.02 -1.20 0.14 112.91 114.05 1nkt h THR 451 Ca 0.14 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1nkt h THR 451 Cb 0.14 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1nkt h THR 451 CO -0.02 0.22 -0.37 0.11 0.37 0.00 0.00 175.52 175.83 1nkt h LYS 452 N 1.21 0.00 -0.41 6.66 1.57 -0.88 -2.50 116.57 122.22 1nkt h LYS 452 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1nkt h LYS 452 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1nkt h LYS 452 CO -0.09 0.37 0.00 0.54 -0.57 0.00 0.00 179.45 179.70 1nkt n ARG 453 N -3.31 2.20 -2.51 3.15 5.12 -0.28 -4.97 116.66 116.05 1nkt n ARG 453 Ca 0.01 -1.83 -0.21 0.00 -1.93 0.00 0.00 57.85 53.89 1nkt n ARG 453 Cb 0.60 -1.44 -0.00 0.00 -1.16 0.00 0.00 32.46 30.46 1nkt n ARG 453 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1nkt n ARG 454 N 1.01 -2.26 -3.20 5.56 1.74 0.28 -5.01 116.66 114.78 1nkt n ARG 454 Ca 0.18 1.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.84 1nkt n ARG 454 Cb 0.47 -5.70 -0.07 0.00 -1.02 0.00 0.00 32.46 26.13 1nkt n ARG 454 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nkt s ILE 455 N -3.07 4.95 0.30 0.55 1.01 -0.06 -4.99 121.20 119.90 1nkt s ILE 455 Ca 0.06 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 1nkt s ILE 455 Cb -0.02 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 1nkt s ILE 455 CO 0.07 -0.39 1.13 -2.16 0.00 0.00 0.00 174.94 173.59 1nkt s PRO 456 N 2.53 4.53 0.18 2.79 0.04 -1.26 -4.35 135.00 139.46 1nkt s PRO 456 Ca 0.19 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 1nkt s PRO 456 Cb -0.15 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1nkt s PRO 456 CO 0.15 0.10 0.87 -3.38 0.04 0.00 0.00 177.00 174.78 1nkt s HIS 457 N -1.21 -0.17 0.16 0.56 -3.43 -1.26 -4.45 115.29 105.49 1nkt s HIS 457 Ca 0.47 -0.17 0.10 0.00 -0.80 0.00 0.00 55.06 54.66 1nkt s HIS 457 Cb -0.32 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.44 1nkt s HIS 457 CO 0.42 -0.93 -0.21 -0.80 -2.00 0.00 0.00 174.74 171.21 1nkt s ASN 458 N -2.90 2.93 -0.13 7.38 -0.87 -0.90 -5.02 114.94 115.43 1nkt s ASN 458 Ca 0.11 -0.81 -0.01 0.00 -1.57 0.00 0.00 52.86 50.57 1nkt s ASN 458 Cb -0.03 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.25 40.99 1nkt s ASN 458 CO 0.02 0.05 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.84 1nkt s VAL 459 N -1.65 3.54 -0.24 1.60 1.01 -1.26 -0.80 120.40 122.60 1nkt s VAL 459 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1nkt s VAL 459 Cb -0.08 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1nkt s VAL 459 CO 0.07 0.53 -0.10 -0.76 0.00 0.00 0.00 175.10 174.84 1nkt s LEU 460 N 0.12 3.14 -0.18 3.92 1.43 -0.22 -4.98 118.68 121.91 1nkt s LEU 460 Ca -0.03 -1.04 0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1nkt s LEU 460 Cb -0.14 -1.60 0.78 0.00 0.03 0.00 0.00 46.19 45.27 1nkt s LEU 460 CO 0.04 -0.14 1.70 0.59 0.23 0.00 0.00 176.35 178.77 1nkt n ASN 461 N 4.58 5.31 -3.58 2.29 3.02 -1.26 -0.91 115.26 124.70 1nkt n ASN 461 Ca -0.16 -2.69 -0.23 0.00 -0.03 0.00 0.00 54.58 51.47 1nkt n ASN 461 Cb 0.46 -0.64 0.08 0.00 -0.61 0.00 0.00 39.78 39.06 1nkt n ASN 461 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nkt n ALA 462 N 0.90 -1.48 0.03 5.41 0.00 -1.26 -4.91 120.51 119.21 1nkt n ALA 462 Ca 0.27 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.99 1nkt n ALA 462 Cb 1.06 -4.73 -0.00 0.00 0.00 0.00 0.00 19.45 15.77 1nkt n ALA 462 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nkt n LYS 463 N -4.79 0.05 -3.56 0.00 3.00 -1.26 -4.93 118.16 106.66 1nkt n LYS 463 Ca -0.06 0.02 -0.41 0.00 -0.00 0.00 0.00 58.31 57.86 1nkt n LYS 463 Cb 0.58 -0.52 -0.09 0.00 0.00 0.00 0.00 35.03 35.00 1nkt n LYS 463 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1nkt s TYR 464 N -1.95 3.42 0.02 5.64 1.51 -1.26 -5.00 117.35 119.73 1nkt s TYR 464 Ca -0.02 -1.83 -0.24 0.00 -1.01 0.00 0.00 57.07 53.96 1nkt s TYR 464 Cb 0.00 -3.42 -0.17 0.00 -0.11 0.00 0.00 41.96 38.27 1nkt s TYR 464 CO 0.04 -0.97 1.42 0.45 -1.11 0.00 0.00 175.55 175.37 1nkt h HIS 465 N 8.44 0.11 -0.08 2.71 3.86 -1.99 -1.04 115.15 127.16 1nkt h HIS 465 Ca -0.21 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1nkt h HIS 465 Cb 1.07 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 1nkt h HIS 465 CO 0.63 0.41 0.04 1.49 0.86 0.00 0.00 177.93 181.36 1nkt h GLU 466 N -0.23 0.12 -0.64 2.45 4.81 -1.97 -0.70 114.58 118.42 1nkt h GLU 466 Ca 0.01 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1nkt h GLU 466 Cb 0.38 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.64 1nkt h GLU 466 CO 0.00 0.23 0.07 1.96 -0.73 0.00 0.00 179.01 180.54 1nkt h GLN 467 N -0.01 0.17 -0.14 1.92 4.20 -1.99 -1.97 115.11 117.29 1nkt h GLN 467 Ca 0.03 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.53 1nkt h GLN 467 Cb 0.15 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1nkt h GLN 467 CO -0.00 0.11 -0.70 0.93 -0.67 0.00 0.00 178.83 178.50 1nkt h GLU 468 N 0.18 0.60 -0.96 1.46 5.08 -0.79 -2.75 114.58 117.41 1nkt h GLU 468 Ca 0.34 -0.46 0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1nkt h GLU 468 Cb 0.55 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 1nkt h GLU 468 CO -0.50 1.08 0.61 0.00 -1.00 0.00 0.00 179.01 179.21 1nkt h ALA 469 N 0.79 1.57 -0.79 3.43 0.00 -0.90 0.11 119.26 123.47 1nkt h ALA 469 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nkt h ALA 469 Cb 1.29 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1nkt h ALA 469 CO 0.13 0.22 0.52 1.15 0.00 0.00 0.00 179.25 181.27 1nkt h THR 470 N 0.96 1.05 0.07 0.00 2.02 -1.05 0.99 112.91 116.95 1nkt h THR 470 Ca 0.45 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 1nkt h THR 470 Cb 0.43 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1nkt h THR 470 CO -0.21 0.16 -0.42 0.40 0.37 0.00 0.00 175.52 175.82 1nkt h ILE 471 N 0.88 1.65 -0.94 3.11 2.04 -1.17 -3.32 117.51 119.75 1nkt h ILE 471 Ca 0.33 -2.43 0.09 0.00 1.00 0.00 0.00 64.86 63.85 1nkt h ILE 471 Cb 0.20 3.28 -0.07 0.00 -0.74 0.00 0.00 36.82 39.48 1nkt h ILE 471 CO -0.11 0.66 0.59 0.40 0.00 0.00 0.00 178.15 179.69 1nkt h ILE 472 N -0.67 0.99 -0.76 -0.67 1.08 -0.76 -1.38 117.51 115.35 1nkt h ILE 472 Ca -0.07 -0.35 0.17 0.00 -0.39 0.00 0.00 64.86 64.23 1nkt h ILE 472 Cb 1.32 -0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1nkt h ILE 472 CO 0.08 0.18 0.52 0.00 -0.69 0.00 0.00 178.15 178.24 1nkt h ALA 473 N 1.47 2.28 -0.67 1.87 0.00 -0.90 0.44 119.26 123.76 1nkt h ALA 473 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1nkt h ALA 473 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nkt h ALA 473 CO -0.22 -0.50 0.00 1.33 0.00 0.00 0.00 179.25 179.86 1nkt n VAL 474 N -4.44 1.55 0.23 0.00 0.24 -0.54 -1.89 118.33 113.47 1nkt n VAL 474 Ca 0.15 -1.10 0.09 0.00 -2.04 0.00 0.00 64.34 61.43 1nkt n VAL 474 Cb 0.62 0.22 0.53 0.00 -1.47 0.00 0.00 33.84 33.75 1nkt n VAL 474 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nkt h ALA 475 N 4.20 1.23 -0.54 2.33 0.00 -0.61 -3.03 119.26 122.84 1nkt h ALA 475 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 1nkt h ALA 475 Cb 1.30 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 1nkt h ALA 475 CO 0.16 0.29 0.42 0.41 0.00 0.00 0.00 179.25 180.54 1nkt n GLY 476 N -0.38 3.86 3.77 0.00 0.00 -1.26 -4.53 105.19 106.65 1nkt n GLY 476 Ca -0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 1nkt n GLY 476 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt s ARG 477 N -1.94 2.71 0.27 1.61 1.81 -1.15 -0.81 118.95 121.45 1nkt s ARG 477 Ca 0.33 -1.19 -0.31 0.00 -1.72 0.00 0.00 55.73 52.85 1nkt s ARG 477 Cb 0.27 -2.43 -0.12 0.00 -0.45 0.00 0.00 34.95 32.22 1nkt s ARG 477 CO 0.03 0.37 1.57 0.54 -0.68 0.00 0.00 175.30 177.12 1nkt n ARG 478 N -1.10 2.54 -0.59 3.54 1.74 -1.26 -1.99 116.66 119.54 1nkt n ARG 478 Ca -0.07 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1nkt n ARG 478 Cb 0.58 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 1nkt n ARG 478 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nkt n GLY 479 N 2.41 0.72 3.71 -0.13 0.00 -0.59 -4.98 105.19 106.32 1nkt n GLY 479 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1nkt n GLY 479 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nkt s GLY 480 N -1.93 2.59 -0.07 -0.02 0.00 -0.84 -4.94 107.32 102.11 1nkt s GLY 480 Ca 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 44.72 45.38 1nkt s GLY 480 CO 0.00 1.90 0.02 0.14 0.00 0.00 0.00 173.10 175.17 1nkt s VAL 481 N 1.18 0.23 -0.07 1.40 1.01 -1.26 -0.28 120.40 122.62 1nkt s VAL 481 Ca 0.55 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1nkt s VAL 481 Cb -0.25 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1nkt s VAL 481 CO 0.28 0.19 0.03 -0.89 0.00 0.00 0.00 175.10 174.71 1nkt s THR 482 N 2.03 0.17 -0.25 3.92 2.01 -0.33 -2.13 115.64 121.06 1nkt s THR 482 Ca 0.05 0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 1nkt s THR 482 Cb -0.13 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1nkt s THR 482 CO -0.05 0.18 0.39 -0.69 -0.69 0.00 0.00 174.62 173.76 1nkt s VAL 483 N 2.05 5.18 -0.37 3.82 1.01 0.02 0.21 120.40 132.31 1nkt s VAL 483 Ca 0.05 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1nkt s VAL 483 Cb -0.13 -3.72 0.11 0.00 0.00 0.00 0.00 36.38 32.64 1nkt s VAL 483 CO -0.05 0.19 0.13 0.00 0.00 0.00 0.00 175.10 175.36 1nkt s ALA 484 N 1.82 3.03 0.38 5.51 0.00 0.20 -1.05 121.76 131.64 1nkt s ALA 484 Ca 0.17 -2.54 -0.25 0.00 0.00 0.00 0.00 51.96 49.34 1nkt s ALA 484 Cb -0.15 -2.19 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1nkt s ALA 484 CO 0.09 -1.75 1.06 -0.08 0.00 0.00 0.00 175.76 175.09 1nkt s THR 485 N 1.02 3.65 0.00 0.00 -1.32 -0.08 -2.66 115.64 116.25 1nkt s THR 485 Ca 0.10 1.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.90 1nkt s THR 485 Cb -0.21 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 1nkt s THR 485 CO -0.06 0.06 0.00 0.59 -2.21 0.00 0.00 174.62 173.00 1nkt n ASN 486 N 0.10 0.00 -1.57 8.08 3.02 -0.88 -2.10 115.26 121.91 1nkt n ASN 486 Ca 0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.52 1nkt n ASN 486 Cb 0.49 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1nkt n ASN 486 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nkt n MET 487 N 0.00 1.37 -1.28 3.52 2.81 -1.26 -4.78 117.12 117.51 1nkt n MET 487 Ca 0.00 -0.77 -0.39 0.00 -1.81 0.00 0.00 57.70 54.73 1nkt n MET 487 Cb 0.00 -1.30 0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1nkt n MET 487 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nkt n ALA 488 N 0.66 -2.86 -2.05 3.04 0.00 -0.89 -2.50 120.51 115.90 1nkt n ALA 488 Ca 0.15 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 1nkt n ALA 488 Cb 0.62 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1nkt n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 489 N 2.41 0.38 3.75 0.00 0.00 -1.26 -4.91 105.19 105.56 1nkt n GLY 489 Ca 0.09 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1nkt n GLY 489 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nkt n ARG 490 N -2.63 2.73 0.00 1.61 0.63 -1.04 -2.94 116.66 115.01 1nkt n ARG 490 Ca -0.20 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1nkt n ARG 490 Cb 0.63 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.79 1nkt n ARG 490 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nkt n GLY 491 N 2.18 0.56 3.35 5.14 0.00 -1.26 -5.03 105.19 110.12 1nkt n GLY 491 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1nkt n GLY 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nkt s THR 492 N -2.16 4.31 0.33 2.61 2.01 -1.15 -5.08 115.64 116.51 1nkt s THR 492 Ca 0.00 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 1nkt s THR 492 Cb 0.00 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 1nkt s THR 492 CO 0.00 -0.17 1.34 -0.62 -0.69 0.00 0.00 174.62 174.48 1nkt s ASP 493 N 1.51 6.70 -0.86 3.53 2.15 -1.26 -4.82 116.67 123.62 1nkt s ASP 493 Ca 0.01 2.74 -0.15 0.00 0.43 0.00 0.00 52.55 55.58 1nkt s ASP 493 Cb -0.19 -2.65 0.20 0.00 -0.30 0.00 0.00 42.92 39.98 1nkt s ASP 493 CO 0.05 -0.60 0.85 -0.63 -0.17 0.00 0.00 175.17 174.68 1nkt s ILE 494 N -1.04 5.45 -0.19 4.11 1.01 -1.26 -4.65 121.20 124.63 1nkt s ILE 494 Ca 0.50 -2.32 -0.16 0.00 0.00 0.00 0.00 60.65 58.68 1nkt s ILE 494 Cb -0.41 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.48 1nkt s ILE 494 CO 0.54 -1.13 0.39 -0.69 0.00 0.00 0.00 174.94 174.04 1nkt s VAL 495 N 0.63 5.22 0.15 2.92 1.01 -1.26 -4.80 120.40 124.27 1nkt s VAL 495 Ca 0.21 0.70 -0.34 0.00 0.00 0.00 0.00 61.98 62.55 1nkt s VAL 495 Cb -0.09 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 1nkt s VAL 495 CO -0.09 0.28 1.42 0.18 0.00 0.00 0.00 175.10 176.89 1nkt n LEU 496 N 4.22 2.39 0.00 3.92 4.77 -1.26 0.19 117.00 131.23 1nkt n LEU 496 Ca -0.09 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1nkt n LEU 496 Cb 0.51 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1nkt n LEU 496 CO 0.40 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 1nkt n GLY 497 N 2.75 1.65 0.00 -0.72 0.00 0.01 -4.45 105.19 104.42 1nkt n GLY 497 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1nkt n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkt n GLY 498 N -2.00 3.21 3.62 -0.02 0.00 0.13 -4.26 105.19 105.87 1nkt n GLY 498 Ca 0.00 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1nkt n GLY 498 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nkt s ASN 499 N 0.00 6.28 -0.09 1.61 3.84 -0.79 -4.71 114.94 121.08 1nkt s ASN 499 Ca 0.00 1.52 -0.25 0.00 0.21 0.00 0.00 52.86 54.34 1nkt s ASN 499 Cb 0.00 -2.53 -0.29 0.00 -0.55 0.00 0.00 41.25 37.88 1nkt s ASN 499 CO 0.00 -1.36 0.84 0.58 -2.79 0.00 0.00 177.10 174.37 1nkt h VAL 500 N 6.30 1.64 -0.73 -5.21 2.07 -1.92 -1.91 116.25 116.48 1nkt h VAL 500 Ca -0.33 -2.46 0.02 0.00 0.82 0.00 0.00 66.70 64.75 1nkt h VAL 500 Cb 1.15 3.29 -0.04 0.00 -1.52 0.00 0.00 31.29 34.18 1nkt h VAL 500 CO 1.01 0.67 0.48 0.44 0.02 0.00 0.00 177.57 180.19 1nkt h ASP 501 N -0.65 0.81 -0.06 0.57 3.32 -1.99 0.44 116.42 118.86 1nkt h ASP 501 Ca -0.08 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1nkt h ASP 501 Cb 1.36 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1nkt h ASP 501 CO 0.09 0.57 -0.19 0.15 -1.72 0.00 0.00 179.24 178.14 1nkt h PHE 502 N 0.96 -0.49 -0.00 4.55 3.57 -1.96 -2.27 116.94 121.29 1nkt h PHE 502 Ca 0.28 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 1nkt h PHE 502 Cb -0.06 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1nkt h PHE 502 CO -0.03 -0.27 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.21 1nkt h LEU 503 N -0.27 0.01 0.07 0.59 3.38 -1.03 -0.12 115.31 117.94 1nkt h LEU 503 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nkt h LEU 503 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1nkt h LEU 503 CO -0.22 0.51 -0.03 0.74 0.09 0.00 0.00 178.44 179.53 1nkt h THR 504 N 0.01 1.09 -0.37 0.22 2.02 -0.73 -1.26 112.91 113.89 1nkt h THR 504 Ca -0.00 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.65 1nkt h THR 504 Cb 0.90 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 1nkt h THR 504 CO 0.07 0.14 0.13 -0.78 0.37 0.00 0.00 175.52 175.45 1nkt h ASP 505 N -0.35 0.14 -0.85 4.18 3.58 -1.32 -1.27 116.42 120.53 1nkt h ASP 505 Ca -0.01 0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.55 1nkt h ASP 505 Cb 0.31 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 1nkt h ASP 505 CO 0.02 0.12 0.52 -0.61 -2.88 0.00 0.00 179.24 176.40 1nkt h GLN 506 N 0.28 0.90 0.00 0.28 4.15 -0.97 -0.43 115.11 119.32 1nkt h GLN 506 Ca 0.17 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 1nkt h GLN 506 Cb 0.15 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1nkt h GLN 506 CO -0.17 0.60 -0.38 0.00 -1.93 0.00 0.00 178.83 176.94 1nkt h ARG 507 N 0.93 0.00 -0.08 1.69 3.08 -0.15 -2.79 114.38 117.06 1nkt h ARG 507 Ca 0.38 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.31 1nkt h ARG 507 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1nkt h ARG 507 CO -0.19 0.38 -0.43 -0.07 -1.07 0.00 0.00 179.97 178.59 1nkt h LEU 508 N 0.00 0.51 -0.50 3.04 4.07 -0.34 -3.12 115.31 118.98 1nkt h LEU 508 Ca -0.00 -0.66 0.08 0.00 0.08 0.00 0.00 57.88 57.38 1nkt h LEU 508 Cb 0.72 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 1nkt h LEU 508 CO 0.05 1.09 0.11 0.03 -1.08 0.00 0.00 178.44 178.64 1nkt h ARG 509 N -0.03 0.24 0.00 1.13 2.47 -1.02 -2.13 114.38 115.04 1nkt h ARG 509 Ca -0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1nkt h ARG 509 Cb 1.09 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1nkt h ARG 509 CO 0.09 0.16 0.00 -0.85 0.56 0.00 0.00 179.97 179.93 1nkt n GLU 510 N -5.10 0.06 0.00 0.04 0.28 -1.06 -1.35 120.64 113.50 1nkt n GLU 510 Ca 0.05 0.28 0.13 0.00 -0.16 0.00 0.00 57.16 57.47 1nkt n GLU 510 Cb 0.24 -1.61 0.31 0.00 1.43 0.00 0.00 31.44 31.82 1nkt n GLU 510 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1nkt n ARG 511 N -1.71 1.89 -0.06 3.44 1.74 -0.83 -4.94 116.66 116.19 1nkt n ARG 511 Ca 0.03 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 1nkt n ARG 511 Cb 0.20 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1nkt n ARG 511 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nkt n GLY 512 N 1.27 0.81 3.88 -0.13 0.00 -0.46 -5.09 105.19 105.48 1nkt n GLY 512 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1nkt n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkt s LEU 513 N 0.00 4.04 -0.23 0.99 1.43 -1.03 -4.98 118.68 118.91 1nkt s LEU 513 Ca 0.00 0.92 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 1nkt s LEU 513 Cb 0.00 -3.74 0.10 0.00 0.03 0.00 0.00 46.19 42.58 1nkt s LEU 513 CO 0.00 -0.20 0.50 -0.62 0.23 0.00 0.00 176.35 176.25 1nkt s ASP 514 N -2.83 -0.57 0.36 2.29 -1.08 -1.26 -4.06 116.67 109.52 1nkt s ASP 514 Ca 0.48 1.18 0.15 0.00 -0.52 0.00 0.00 52.55 53.83 1nkt s ASP 514 Cb -0.11 1.58 1.02 0.00 -1.46 0.00 0.00 42.92 43.95 1nkt s ASP 514 CO 0.26 -0.23 1.73 -0.65 0.52 0.00 0.00 175.17 176.81 1nkt h PRO 515 N 7.97 0.44 0.00 4.34 0.11 -1.90 -0.64 132.00 142.32 1nkt h PRO 515 Ca -0.19 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 1nkt h PRO 515 Cb 1.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1nkt h PRO 515 CO 0.13 0.29 -1.01 0.28 -0.21 0.00 0.00 178.00 177.48 1nkt n VAL 516 N -4.79 1.47 0.24 3.15 0.31 -1.26 -3.86 118.33 113.59 1nkt n VAL 516 Ca 0.27 0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.80 1nkt n VAL 516 Cb 0.86 -2.26 0.56 0.00 -0.91 0.00 0.00 33.84 32.09 1nkt n VAL 516 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1nkt h GLU 517 N -1.00 0.00 -1.32 5.55 4.39 -1.96 -3.35 114.58 116.89 1nkt h GLU 517 Ca -0.14 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.12 1nkt h GLU 517 Cb 0.91 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.25 1nkt h GLU 517 CO -0.09 0.19 -0.90 0.25 -1.16 0.00 0.00 179.01 177.30 1nkt n THR 518 N -3.50 -0.43 -0.07 1.13 -2.24 -0.25 -4.99 114.28 103.94 1nkt n THR 518 Ca -0.01 -3.19 -0.13 0.00 -2.27 0.00 0.00 64.05 58.45 1nkt n THR 518 Cb 0.36 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 1nkt n THR 518 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1nkt h PRO 519 N 3.91 0.48 -0.06 -0.78 0.13 -1.66 -1.47 132.00 132.54 1nkt h PRO 519 Ca -0.00 -0.24 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1nkt h PRO 519 Cb 0.94 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1nkt h PRO 519 CO 0.41 0.81 -0.03 0.93 -0.23 0.00 0.00 178.00 179.90 1nkt h GLU 520 N 0.15 -0.02 -0.48 0.86 5.08 -1.90 -1.01 114.58 117.25 1nkt h GLU 520 Ca 0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1nkt h GLU 520 Cb 0.72 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1nkt h GLU 520 CO 0.05 -0.02 0.31 0.93 -1.00 0.00 0.00 179.01 179.28 1nkt h GLU 521 N -0.02 0.62 0.01 2.33 5.08 -1.95 -1.96 114.58 118.67 1nkt h GLU 521 Ca 0.04 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1nkt h GLU 521 Cb 0.08 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1nkt h GLU 521 CO -0.08 0.41 -0.29 -0.92 -1.00 0.00 0.00 179.01 177.13 1nkt h TYR 522 N 0.63 -0.78 -0.15 4.33 5.03 -0.89 -1.86 116.97 123.29 1nkt h TYR 522 Ca 0.18 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.54 1nkt h TYR 522 Cb -0.05 0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1nkt h TYR 522 CO -0.05 -0.38 0.03 0.93 -1.32 0.00 0.00 178.16 177.37 1nkt h GLU 523 N -0.44 0.08 -0.44 1.82 4.39 -0.91 0.18 114.58 119.27 1nkt h GLU 523 Ca 0.06 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1nkt h GLU 523 Cb 0.52 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1nkt h GLU 523 CO -0.24 0.06 0.18 0.00 -1.16 0.00 0.00 179.01 177.85 1nkt h ALA 524 N 1.11 1.50 -0.17 3.43 0.00 -1.27 -1.66 119.26 122.20 1nkt h ALA 524 Ca 0.07 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1nkt h ALA 524 Cb 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nkt h ALA 524 CO -0.09 0.39 -0.55 0.00 0.00 0.00 0.00 179.25 178.99 1nkt h ALA 525 N 1.59 0.30 -0.58 0.00 0.00 -1.06 -3.27 119.26 116.23 1nkt h ALA 525 Ca 0.15 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.67 1nkt h ALA 525 Cb 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1nkt h ALA 525 CO -0.02 0.51 -0.04 2.35 0.00 0.00 0.00 179.25 182.06 1nkt h TRP 526 N 0.36 -0.12 0.00 0.00 2.91 -0.04 0.68 115.95 119.75 1nkt h TRP 526 Ca -0.02 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1nkt h TRP 526 Cb 1.18 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.97 1nkt h TRP 526 CO 0.09 -0.18 -0.12 0.45 -1.03 0.00 0.00 178.44 177.66 1nkt h HIS 527 N 0.08 0.00 0.00 2.65 3.86 -1.39 -1.32 115.15 119.02 1nkt h HIS 527 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1nkt h HIS 527 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1nkt h HIS 527 CO -0.39 0.12 -1.02 -1.13 0.86 0.00 0.00 177.93 176.37 1nkt n SER 528 N -4.24 0.61 -0.03 2.45 3.41 -0.75 -4.48 113.62 110.60 1nkt n SER 528 Ca -0.03 -0.13 -0.21 0.00 -0.26 0.00 0.00 58.87 58.24 1nkt n SER 528 Cb 0.19 0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 64.76 1nkt n SER 528 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1nkt n GLU 529 N -2.03 0.73 -0.10 4.33 4.07 0.16 -4.12 120.64 123.68 1nkt n GLU 529 Ca 0.02 0.25 -0.10 0.00 -0.06 0.00 0.00 57.16 57.27 1nkt n GLU 529 Cb 0.45 -1.67 -0.04 0.00 -0.06 0.00 0.00 31.44 30.11 1nkt n GLU 529 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1nkt h LEU 530 N 0.01 -1.33 -1.07 4.31 5.85 -1.50 -0.68 115.31 120.89 1nkt h LEU 530 Ca -0.45 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1nkt h LEU 530 Cb 1.98 0.58 -0.07 0.00 0.37 0.00 0.00 40.66 43.52 1nkt h LEU 530 CO 0.04 -0.37 0.62 -0.65 -0.34 0.00 0.00 178.44 177.74 1nkt h PRO 531 N -0.35 1.05 -0.22 5.25 0.11 -1.78 -1.19 132.00 134.88 1nkt h PRO 531 Ca 0.13 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1nkt h PRO 531 Cb 0.58 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1nkt h PRO 531 CO -0.53 0.70 0.03 0.82 -0.21 0.00 0.00 178.00 178.81 1nkt h ILE 532 N 1.08 1.23 -0.45 4.15 2.04 -1.58 -2.76 117.51 121.23 1nkt h ILE 532 Ca 0.43 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1nkt h ILE 532 Cb 0.24 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1nkt h ILE 532 CO -0.18 0.24 0.30 0.58 0.00 0.00 0.00 178.15 179.09 1nkt h VAL 533 N 0.16 1.11 -0.98 1.67 2.07 -0.40 -2.87 116.25 116.99 1nkt h VAL 533 Ca 0.06 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1nkt h VAL 533 Cb 0.34 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1nkt h VAL 533 CO 0.01 0.11 0.64 0.11 0.02 0.00 0.00 177.57 178.45 1nkt h LYS 534 N 0.61 1.13 0.52 1.57 1.57 -1.21 -0.82 116.57 119.93 1nkt h LYS 534 Ca 0.17 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1nkt h LYS 534 Cb -0.06 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.00 1nkt h LYS 534 CO -0.04 0.75 -0.25 0.93 -0.57 0.00 0.00 179.45 180.27 1nkt h GLU 535 N 1.16 -0.67 0.00 3.15 5.08 -1.27 -3.00 114.58 119.03 1nkt h GLU 535 Ca 0.42 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1nkt h GLU 535 Cb 0.15 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1nkt h GLU 535 CO -0.16 -0.45 -0.09 1.05 -1.00 0.00 0.00 179.01 178.36 1nkt h GLU 536 N -0.84 0.00 0.00 2.33 4.11 -1.46 -2.68 114.58 116.04 1nkt h GLU 536 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1nkt h GLU 536 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nkt h GLU 536 CO 0.12 0.09 0.00 0.00 0.07 0.00 0.00 179.01 179.29 1nkt n ALA 537 N -2.36 0.00 0.00 1.06 0.00 -0.32 -4.26 120.51 114.63 1nkt n ALA 537 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nkt n ALA 537 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1nkt n ALA 537 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nkt n SER 538 N 0.00 0.00 0.21 0.00 2.88 -1.13 -1.90 113.62 113.68 1nkt n SER 538 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1nkt n SER 538 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 1nkt n SER 538 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1nkt h LYS 539 N 0.00 0.00 -0.22 -1.46 2.10 -1.69 -2.70 116.57 112.60 1nkt h LYS 539 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1nkt h LYS 539 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1nkt h LYS 539 CO 0.00 0.28 -0.50 1.49 -2.00 0.00 0.00 179.45 178.72 1nkt h GLU 540 N 0.00 0.61 -0.69 0.07 4.57 -1.56 -2.81 114.58 114.77 1nkt h GLU 540 Ca -0.00 -0.36 0.08 0.00 -1.18 0.00 0.00 59.36 57.90 1nkt h GLU 540 Cb 0.79 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 1nkt h GLU 540 CO 0.04 0.96 0.45 0.00 -1.18 0.00 0.00 179.01 179.28 1nkt h ALA 541 N 0.97 1.81 -0.17 2.92 0.00 -1.72 -2.05 119.26 121.03 1nkt h ALA 541 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nkt h ALA 541 Cb 1.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1nkt h ALA 541 CO 0.10 0.06 0.08 0.87 0.00 0.00 0.00 179.25 180.35 1nkt h LYS 542 N 0.63 0.24 -0.59 0.00 1.79 -1.21 -1.28 116.57 116.15 1nkt h LYS 542 Ca 0.31 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1nkt h LYS 542 Cb 0.38 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1nkt h LYS 542 CO -0.10 0.29 0.20 0.93 -1.08 0.00 0.00 179.45 179.68 1nkt h GLU 543 N 0.14 0.89 -0.17 3.15 4.39 -1.47 -2.56 114.58 118.95 1nkt h GLU 543 Ca 0.06 -0.16 -0.18 0.00 0.34 0.00 0.00 59.36 59.42 1nkt h GLU 543 Cb 0.12 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1nkt h GLU 543 CO -0.01 0.76 -0.62 0.28 -1.16 0.00 0.00 179.01 178.26 1nkt h VAL 544 N 0.87 1.32 0.16 3.13 2.07 -1.17 -2.05 116.25 120.58 1nkt h VAL 544 Ca 0.20 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1nkt h VAL 544 Cb 0.23 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1nkt h VAL 544 CO -0.01 0.59 -0.08 0.40 0.02 0.00 0.00 177.57 178.49 1nkt h ILE 545 N 0.44 0.88 -0.96 4.57 2.04 -1.07 -1.76 117.51 121.65 1nkt h ILE 545 Ca -0.01 -0.15 0.18 0.00 1.00 0.00 0.00 64.86 65.88 1nkt h ILE 545 Cb 1.20 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 1nkt h ILE 545 CO 0.12 0.04 0.61 -0.08 0.00 0.00 0.00 178.15 178.83 1nkt h GLU 546 N -0.29 0.66 0.00 2.37 4.81 -1.45 0.71 114.58 121.39 1nkt h GLU 546 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1nkt h GLU 546 Cb 0.23 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1nkt h GLU 546 CO 0.04 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.76 1nkt n ALA 547 N -2.40 1.66 0.00 2.92 0.00 -0.73 -4.84 120.51 117.11 1nkt n ALA 547 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nkt n ALA 547 Cb 0.56 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1nkt n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 548 N -0.22 1.11 4.62 0.00 0.00 0.24 -4.67 105.19 106.28 1nkt n GLY 548 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1nkt n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkt n GLY 549 N -0.30 -1.88 3.71 -0.02 0.00 -0.78 -3.07 105.19 102.84 1nkt n GLY 549 Ca 0.00 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1nkt n GLY 549 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nkt s LEU 550 N 0.00 4.36 -0.31 0.99 2.96 -1.25 -4.50 118.68 120.92 1nkt s LEU 550 Ca 0.00 1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 55.56 1nkt s LEU 550 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1nkt s LEU 550 CO 0.00 -0.38 0.52 -0.47 -1.32 0.00 0.00 176.35 174.70 1nkt s TYR 551 N 1.14 3.21 -0.26 5.38 5.04 -0.66 -2.75 117.35 128.45 1nkt s TYR 551 Ca 0.55 0.38 -0.10 0.00 -2.44 0.00 0.00 57.07 55.46 1nkt s TYR 551 Cb -0.25 -2.86 -0.05 0.00 0.35 0.00 0.00 41.96 39.16 1nkt s TYR 551 CO 0.28 -0.44 0.16 0.08 -1.34 0.00 0.00 175.55 174.28 1nkt s VAL 552 N 2.38 5.17 -0.28 3.14 1.01 0.12 -1.04 120.40 130.90 1nkt s VAL 552 Ca 0.20 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1nkt s VAL 552 Cb -0.15 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1nkt s VAL 552 CO 0.12 0.31 -0.06 -0.22 0.00 0.00 0.00 175.10 175.25 1nkt s LEU 553 N 1.40 3.81 0.18 3.92 0.20 0.60 -0.74 118.68 128.05 1nkt s LEU 553 Ca 0.07 -1.62 -0.19 0.00 0.69 0.00 0.00 54.13 53.07 1nkt s LEU 553 Cb -0.15 -1.56 -0.08 0.00 -0.43 0.00 0.00 46.19 43.98 1nkt s LEU 553 CO 0.07 -0.25 0.67 -0.83 -0.29 0.00 0.00 176.35 175.72 1nkt s GLY 554 N 1.05 2.63 -0.15 7.98 0.00 0.14 -1.67 107.32 117.30 1nkt s GLY 554 Ca -0.03 0.11 0.17 0.00 0.00 0.00 0.00 44.72 44.97 1nkt s GLY 554 CO -0.06 0.48 0.13 2.41 0.00 0.00 0.00 173.10 176.06 1nkt n THR 555 N 0.99 1.00 -3.97 0.90 -1.04 -0.36 -0.15 114.28 111.65 1nkt n THR 555 Ca -0.05 -0.70 -0.11 0.00 -2.04 0.00 0.00 64.05 61.15 1nkt n THR 555 Cb 0.51 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 1nkt n THR 555 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1nkt s GLU 556 N -2.62 1.95 0.26 -2.82 -1.05 -1.25 -4.50 118.70 108.66 1nkt s GLU 556 Ca -0.09 -1.53 -0.04 0.00 -0.15 0.00 0.00 54.97 53.16 1nkt s GLU 556 Cb 0.07 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.22 1nkt s GLU 556 CO 0.76 -0.85 0.51 1.03 0.95 0.00 0.00 175.26 177.65 1nkt s ARG 557 N -3.01 3.62 0.76 -4.83 0.52 -1.26 -5.00 118.95 109.75 1nkt s ARG 557 Ca 0.23 -0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.38 1nkt s ARG 557 Cb -0.02 -2.70 0.15 0.00 0.52 0.00 0.00 34.95 32.90 1nkt s ARG 557 CO 0.15 0.28 1.04 -1.01 0.02 0.00 0.00 175.30 175.78 1nkt s HIS 558 N -1.99 1.24 -1.02 -0.53 3.76 -1.26 -4.90 115.29 110.59 1nkt s HIS 558 Ca 0.43 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 55.00 1nkt s HIS 558 Cb -0.11 -3.03 0.14 0.00 1.11 0.00 0.00 32.58 30.70 1nkt s HIS 558 CO 0.29 -1.90 1.10 0.39 -0.85 0.00 0.00 174.74 173.76 1nkt n GLU 559 N -2.94 0.00 -3.78 1.40 1.02 -1.26 -4.67 120.64 110.41 1nkt n GLU 559 Ca 0.17 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.61 1nkt n GLU 559 Cb 0.61 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 1nkt n GLU 559 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nkt s SER 560 N -2.98 -0.16 0.23 1.62 1.04 -1.26 -3.64 113.70 108.54 1nkt s SER 560 Ca 0.02 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 1nkt s SER 560 Cb 0.02 0.31 0.35 0.00 0.10 0.00 0.00 66.02 66.81 1nkt s SER 560 CO 0.06 -0.41 1.78 -0.09 0.98 0.00 0.00 173.24 175.56 1nkt h ARG 561 N 4.08 0.59 -0.56 4.02 9.65 -1.92 -2.26 114.38 127.98 1nkt h ARG 561 Ca -0.30 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.62 1nkt h ARG 561 Cb 1.18 -0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 29.53 1nkt h ARG 561 CO 0.39 0.39 -0.49 -0.09 2.80 0.00 0.00 179.97 182.98 1nkt h ARG 562 N 0.60 -0.25 -0.86 0.20 2.43 -1.98 0.50 114.38 115.02 1nkt h ARG 562 Ca 0.36 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1nkt h ARG 562 Cb 0.39 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1nkt h ARG 562 CO -0.28 -0.17 0.46 0.82 -1.51 0.00 0.00 179.97 179.29 1nkt h ILE 563 N -0.26 1.25 -0.64 1.20 2.04 -1.86 0.12 117.51 119.36 1nkt h ILE 563 Ca 0.15 -0.65 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1nkt h ILE 563 Cb 0.56 0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 1nkt h ILE 563 CO -0.68 0.29 0.15 0.44 0.00 0.00 0.00 178.15 178.35 1nkt h ASP 564 N 1.21 0.02 0.15 1.72 3.45 -0.79 -1.52 116.42 120.66 1nkt h ASP 564 Ca 0.30 0.12 -0.12 0.00 0.43 0.00 0.00 57.03 57.76 1nkt h ASP 564 Cb 0.05 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1nkt h ASP 564 CO -0.05 0.01 -0.42 0.78 -1.57 0.00 0.00 179.24 177.99 1nkt h ASN 565 N 0.27 0.36 -0.84 6.45 2.35 0.37 -2.42 115.58 122.12 1nkt h ASN 565 Ca 0.34 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1nkt h ASN 565 Cb 0.52 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 1nkt h ASN 565 CO -0.42 0.74 0.54 1.56 -1.65 0.00 0.00 177.43 178.20 1nkt h GLN 566 N 0.28 1.00 -0.20 0.81 4.20 0.14 0.64 115.11 121.99 1nkt h GLN 566 Ca 0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1nkt h GLN 566 Cb 0.86 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1nkt h GLN 566 CO 0.07 0.66 -0.00 1.25 -0.67 0.00 0.00 178.83 180.14 1nkt h LEU 567 N 1.03 0.35 -0.54 1.46 5.85 -0.90 -3.01 115.31 119.55 1nkt h LEU 567 Ca 0.34 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1nkt h LEU 567 Cb 0.05 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 1nkt h LEU 567 CO -0.13 0.58 0.09 0.03 -0.34 0.00 0.00 178.44 178.67 1nkt h ARG 568 N 0.11 0.22 -0.33 1.25 3.08 -1.09 -2.19 114.38 115.43 1nkt h ARG 568 Ca 0.06 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.19 1nkt h ARG 568 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1nkt h ARG 568 CO 0.01 0.14 0.71 0.78 -1.07 0.00 0.00 179.97 180.54 1nkt h GLY 569 N 0.22 0.00 2.00 0.04 0.00 -0.73 -1.52 103.07 103.08 1nkt h GLY 569 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1nkt h GLY 569 CO -0.37 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.38 1nkt h ARG 570 N 0.00 0.00 -6.03 4.80 2.47 -1.41 -3.43 114.38 110.79 1nkt h ARG 570 Ca 0.16 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.29 1nkt h ARG 570 Cb 1.57 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.85 1nkt h ARG 570 CO -0.00 0.00 -0.51 0.45 0.56 0.00 0.00 179.97 180.47 1nkt s SER 571 N -5.10 6.16 -0.75 7.04 0.15 -0.57 -4.65 113.70 115.98 1nkt s SER 571 Ca 0.02 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 1nkt s SER 571 Cb 0.09 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1nkt s SER 571 CO 0.47 0.11 0.55 0.61 1.20 0.00 0.00 173.24 176.19 1nkt n GLY 572 N -0.10 0.13 3.82 9.45 0.00 -1.26 -4.90 105.19 112.33 1nkt n GLY 572 Ca -0.07 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1nkt n GLY 572 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nkt s ARG 573 N -5.56 3.45 -1.25 1.61 1.70 -1.26 -4.04 118.95 113.59 1nkt s ARG 573 Ca 0.27 1.11 -0.09 0.00 -0.47 0.00 0.00 55.73 56.56 1nkt s ARG 573 Cb -0.12 -2.06 0.07 0.00 -0.57 0.00 0.00 34.95 32.27 1nkt s ARG 573 CO 0.34 -0.69 0.45 1.04 -1.08 0.00 0.00 175.30 175.36 1nkt n GLN 574 N -2.03 -3.29 -0.85 3.89 1.13 -1.26 -1.00 117.38 113.96 1nkt n GLN 574 Ca 0.08 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 1nkt n GLN 574 Cb 0.53 -5.17 0.00 0.00 0.11 0.00 0.00 30.24 25.71 1nkt n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nkt n GLY 575 N -1.14 1.02 3.62 1.08 0.00 -1.26 -4.76 105.19 103.75 1nkt n GLY 575 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1nkt n GLY 575 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nkt n ASP 576 N 0.00 1.09 -4.75 1.61 8.00 -0.17 -4.62 116.55 117.71 1nkt n ASP 576 Ca 0.00 0.93 -0.35 0.00 0.71 0.00 0.00 54.79 56.07 1nkt n ASP 576 Cb 0.00 -1.38 0.04 0.00 -0.02 0.00 0.00 41.12 39.76 1nkt n ASP 576 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1nkt s PRO 577 N -2.37 2.84 0.02 -0.24 0.04 -1.26 -4.24 135.00 129.79 1nkt s PRO 577 Ca 0.69 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 1nkt s PRO 577 Cb -0.48 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.25 1nkt s PRO 577 CO 0.53 -1.30 1.17 0.20 0.04 0.00 0.00 177.00 177.63 1nkt s GLY 578 N -1.74 -0.35 0.02 0.56 0.00 -1.17 -3.87 107.32 100.76 1nkt s GLY 578 Ca 0.76 0.63 0.04 0.00 0.00 0.00 0.00 44.72 46.15 1nkt s GLY 578 CO 0.35 0.13 -0.12 1.85 0.00 0.00 0.00 173.10 175.32 1nkt s GLU 579 N -2.70 0.88 0.10 2.90 2.12 -1.11 0.74 118.70 121.63 1nkt s GLU 579 Ca 0.13 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.92 1nkt s GLU 579 Cb 0.02 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 1nkt s GLU 579 CO -0.02 0.22 -0.12 -1.54 -0.54 0.00 0.00 175.26 173.26 1nkt s SER 580 N -0.75 1.64 -0.28 -1.70 1.04 -0.05 -0.70 113.70 112.89 1nkt s SER 580 Ca 0.02 -0.78 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 1nkt s SER 580 Cb -0.06 -0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.15 1nkt s SER 580 CO 0.00 -0.20 0.93 -0.60 0.98 0.00 0.00 173.24 174.36 1nkt s ARG 581 N -2.59 0.53 -0.08 4.02 3.52 0.08 -0.48 118.95 123.96 1nkt s ARG 581 Ca 0.05 0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 56.36 1nkt s ARG 581 Cb -0.05 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1nkt s ARG 581 CO 0.01 -0.08 0.12 -0.06 -0.81 0.00 0.00 175.30 174.48 1nkt s PHE 582 N 0.78 3.49 -0.22 5.12 0.40 -1.26 -0.68 117.98 125.61 1nkt s PHE 582 Ca -0.03 0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.66 1nkt s PHE 582 Cb -0.05 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1nkt s PHE 582 CO -0.10 0.66 0.00 0.71 0.70 0.00 0.00 175.22 177.19 1nkt s TYR 583 N -1.09 3.02 0.41 0.36 1.51 0.79 -1.90 117.35 120.46 1nkt s TYR 583 Ca 0.18 -0.60 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1nkt s TYR 583 Cb -0.12 -2.13 -0.08 0.00 -0.11 0.00 0.00 41.96 39.53 1nkt s TYR 583 CO 0.08 -0.36 0.03 -0.51 -1.11 0.00 0.00 175.55 173.67 1nkt s LEU 584 N 1.29 2.90 0.02 -1.29 1.43 0.89 -3.92 118.68 120.00 1nkt s LEU 584 Ca 0.04 -1.34 -0.20 0.00 -1.03 0.00 0.00 54.13 51.59 1nkt s LEU 584 Cb -0.15 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.16 1nkt s LEU 584 CO 0.01 -0.47 0.45 -0.94 0.23 0.00 0.00 176.35 175.63 1nkt s SER 585 N -3.73 -0.35 0.00 2.29 1.04 -1.26 -0.54 113.70 111.15 1nkt s SER 585 Ca 0.35 0.15 0.11 0.00 0.48 0.00 0.00 55.95 57.04 1nkt s SER 585 Cb 0.09 0.43 0.51 0.00 0.10 0.00 0.00 66.02 67.16 1nkt s SER 585 CO 0.18 -0.63 1.25 0.18 0.98 0.00 0.00 173.24 175.21 1nkt n LEU 586 N 0.69 0.00 -0.91 2.42 4.77 -0.05 -2.08 117.00 121.83 1nkt n LEU 586 Ca -0.19 0.33 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1nkt n LEU 586 Cb 0.59 -0.33 0.22 0.00 -2.33 0.00 0.00 43.42 41.56 1nkt n LEU 586 CO 0.21 -0.22 0.68 0.61 -1.33 0.00 0.00 177.39 177.35 1nkt n GLY 587 N -0.40 2.69 3.77 -0.72 0.00 -1.26 -4.07 105.19 105.21 1nkt n GLY 587 Ca 0.04 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1nkt n GLY 587 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkt s ASP 588 N -1.01 5.10 0.23 1.61 1.01 -0.88 -4.75 116.67 117.98 1nkt s ASP 588 Ca 0.33 1.99 -0.14 0.00 0.71 0.00 0.00 52.55 55.44 1nkt s ASP 588 Cb 0.17 -2.55 0.28 0.00 1.01 0.00 0.00 42.92 41.83 1nkt s ASP 588 CO 0.22 -1.64 1.58 -0.08 0.21 0.00 0.00 175.17 175.47 1nkt h GLU 589 N -0.01 -0.04 0.15 8.23 4.81 -1.95 0.18 114.58 125.95 1nkt h GLU 589 Ca -0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1nkt h GLU 589 Cb 1.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1nkt h GLU 589 CO 0.54 -0.03 -0.09 1.25 -0.73 0.00 0.00 179.01 179.96 1nkt h LEU 590 N -0.04 -0.22 -0.81 1.64 5.85 -1.92 -2.26 115.31 117.56 1nkt h LEU 590 Ca 0.35 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 1nkt h LEU 590 Cb 0.59 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1nkt h LEU 590 CO -0.83 -0.14 0.06 0.24 -0.34 0.00 0.00 178.44 177.43 1nkt h MET 591 N -0.23 0.95 -0.55 1.25 2.86 -1.62 -1.89 114.93 115.70 1nkt h MET 591 Ca -0.02 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1nkt h MET 591 Cb 0.19 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1nkt h MET 591 CO 0.02 0.91 0.37 0.00 1.06 0.00 0.00 176.91 179.26 1nkt h ARG 592 N 0.89 0.60 -0.26 1.72 3.08 -0.59 -0.71 114.38 119.11 1nkt h ARG 592 Ca 0.18 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.26 1nkt h ARG 592 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1nkt h ARG 592 CO 0.02 0.39 0.18 0.00 -1.07 0.00 0.00 179.97 179.49 1nkt h ARG 593 N 0.61 0.04 0.00 0.04 2.47 -0.72 -3.44 114.38 113.39 1nkt h ARG 593 Ca 0.22 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1nkt h ARG 593 Cb 0.13 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1nkt h ARG 593 CO -0.06 0.03 0.00 1.19 0.56 0.00 0.00 179.97 181.69 1nkt n PHE 594 N -4.47 0.00 -0.25 3.04 3.72 -0.36 -5.05 117.46 114.09 1nkt n PHE 594 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 1nkt n PHE 594 Cb 0.31 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.13 1nkt n PHE 594 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1nkt n ASN 595 N 0.00 3.71 -0.34 4.37 6.94 -1.11 -4.67 115.26 124.16 1nkt n ASN 595 Ca 0.00 -1.99 0.21 0.00 -0.02 0.00 0.00 54.58 52.78 1nkt n ASN 595 Cb 0.00 -0.41 0.44 0.00 -2.36 0.00 0.00 39.78 37.44 1nkt n ASN 595 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1nkt h GLY 596 N 3.91 1.91 1.46 4.83 0.00 -1.53 -1.41 103.07 112.24 1nkt h GLY 596 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 1nkt h GLY 596 CO 0.00 -0.34 -0.79 0.00 0.00 0.00 0.00 176.54 175.42 1nkt h ALA 597 N 1.77 0.47 -0.34 3.60 0.00 -1.82 -2.34 119.26 120.60 1nkt h ALA 597 Ca 0.68 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nkt h ALA 597 Cb 1.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1nkt h ALA 597 CO -0.51 0.75 0.22 0.00 0.00 0.00 0.00 179.25 179.71 1nkt h ALA 598 N 0.79 0.43 -0.69 0.00 0.00 -1.63 -1.87 119.26 116.29 1nkt h ALA 598 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nkt h ALA 598 Cb 1.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1nkt h ALA 598 CO 0.14 -0.10 0.45 -0.07 0.00 0.00 0.00 179.25 179.67 1nkt h LEU 599 N 0.46 0.78 -1.10 0.00 -0.00 -1.34 -1.43 115.31 112.68 1nkt h LEU 599 Ca 0.12 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.90 1nkt h LEU 599 Cb -0.05 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 1nkt h LEU 599 CO -0.03 0.56 -0.42 1.05 -0.00 0.00 0.00 178.44 179.60 1nkt h GLU 600 N 0.92 0.00 0.41 1.13 -0.00 -1.21 -0.42 114.58 115.41 1nkt h GLU 600 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.59 1nkt h GLU 600 Cb -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.66 1nkt h GLU 600 CO -0.06 0.42 -0.20 1.15 -0.00 0.00 0.00 179.01 180.32 1nkt h THR 601 N 0.00 0.59 -0.32 -1.06 2.02 -0.83 -2.30 112.91 111.01 1nkt h THR 601 Ca -0.00 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.00 1nkt h THR 601 Cb 0.80 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 1nkt h THR 601 CO 0.06 0.05 -0.21 0.25 0.37 0.00 0.00 175.52 176.03 1nkt h LEU 602 N -0.70 -0.71 -0.73 2.58 5.85 -0.74 -0.67 115.31 120.19 1nkt h LEU 602 Ca -0.06 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1nkt h LEU 602 Cb 0.50 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1nkt h LEU 602 CO 0.09 -0.25 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.84 1nkt h LEU 603 N -0.18 0.91 -0.50 2.25 4.07 -1.12 0.17 115.31 120.91 1nkt h LEU 603 Ca 0.16 -0.26 0.02 0.00 0.08 0.00 0.00 57.88 57.88 1nkt h LEU 603 Cb 0.43 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1nkt h LEU 603 CO -0.43 1.00 0.30 0.74 -1.08 0.00 0.00 178.44 178.97 1nkt h THR 604 N 0.85 1.06 -0.40 0.22 2.02 -1.05 -2.04 112.91 113.57 1nkt h THR 604 Ca 0.15 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1nkt h THR 604 Cb 0.56 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1nkt h THR 604 CO 0.03 0.11 0.17 0.03 0.37 0.00 0.00 175.52 176.24 1nkt h ARG 605 N 0.61 0.56 0.00 6.66 3.08 -0.28 -1.21 114.38 123.79 1nkt h ARG 605 Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1nkt h ARG 605 Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1nkt h ARG 605 CO -0.09 0.45 0.00 1.28 -1.07 0.00 0.00 179.97 180.55 1nkt n LEU 606 N -4.39 0.00 -2.03 3.04 4.77 0.51 -4.93 117.00 113.97 1nkt n LEU 606 Ca 0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1nkt n LEU 606 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1nkt n LEU 606 CO 0.37 0.00 -0.24 0.59 -1.33 0.00 0.00 177.39 176.78 1nkt n ASN 607 N -0.63 -5.72 -4.68 -1.43 3.02 -0.46 -5.00 115.26 100.37 1nkt n ASN 607 Ca 0.06 0.21 -0.42 0.00 -0.03 0.00 0.00 54.58 54.40 1nkt n ASN 607 Cb 0.03 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.31 1nkt n ASN 607 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1nkt s LEU 608 N -5.42 4.24 0.69 3.41 2.96 -0.88 -5.02 118.68 118.67 1nkt s LEU 608 Ca 0.00 1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 55.49 1nkt s LEU 608 Cb 0.00 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1nkt s LEU 608 CO 0.00 -0.62 1.22 -2.84 -1.32 0.00 0.00 176.35 172.79 1nkt s PRO 609 N 2.55 2.39 0.26 0.98 0.02 -1.26 -4.64 135.00 135.30 1nkt s PRO 609 Ca 0.54 1.81 -0.04 0.00 0.02 0.00 0.00 61.00 63.34 1nkt s PRO 609 Cb -0.23 -1.86 0.33 0.00 0.02 0.00 0.00 34.50 32.76 1nkt s PRO 609 CO 0.19 -1.66 1.84 -0.44 -0.33 0.00 0.00 177.00 176.60 1nkt h ASP 610 N 0.08 0.92 -0.20 2.53 3.32 -2.00 -2.92 116.42 118.16 1nkt h ASP 610 Ca -0.49 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1nkt h ASP 610 Cb 1.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1nkt h ASP 610 CO 0.51 0.82 0.00 -0.90 -1.72 0.00 0.00 179.24 177.95 1nkt n ASP 611 N -4.30 1.56 -4.55 6.45 5.75 -1.26 -4.20 116.55 116.00 1nkt n ASP 611 Ca 0.06 -2.09 -0.39 0.00 -0.01 0.00 0.00 54.79 52.36 1nkt n ASP 611 Cb 0.17 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 39.87 1nkt n ASP 611 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nkt s VAL 612 N -1.64 5.26 0.45 2.12 1.01 -1.10 -5.06 120.40 121.43 1nkt s VAL 612 Ca 0.15 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1nkt s VAL 612 Cb 0.09 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1nkt s VAL 612 CO 0.08 0.08 1.14 -2.65 0.00 0.00 0.00 175.10 173.75 1nkt n PRO 613 N 5.08 1.56 -3.58 2.72 -0.02 -1.26 -4.75 135.00 134.76 1nkt n PRO 613 Ca -0.13 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 1nkt n PRO 613 Cb 0.50 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 1nkt n PRO 613 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nkt s ILE 614 N -1.27 5.31 -0.34 4.25 1.01 -0.03 -4.94 121.20 125.18 1nkt s ILE 614 Ca 0.64 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.59 1nkt s ILE 614 Cb -0.51 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 38.51 1nkt s ILE 614 CO 0.56 0.28 0.06 -1.61 0.00 0.00 0.00 174.94 174.23 1nkt s GLU 615 N 1.47 1.43 -0.20 2.79 0.41 -1.26 -4.46 118.70 118.88 1nkt s GLU 615 Ca 0.09 -1.84 -0.09 0.00 -0.41 0.00 0.00 54.97 52.72 1nkt s GLU 615 Cb -0.15 -3.11 0.08 0.00 -1.78 0.00 0.00 34.13 29.18 1nkt s GLU 615 CO 0.08 -0.95 0.46 0.00 -0.49 0.00 0.00 175.26 174.36 1nkt s ALA 616 N 0.91 -1.26 0.30 5.21 0.00 -1.26 -5.05 121.76 120.61 1nkt s ALA 616 Ca 0.11 1.67 0.04 0.00 0.00 0.00 0.00 51.96 53.78 1nkt s ALA 616 Cb -0.19 -1.24 0.77 0.00 0.00 0.00 0.00 23.12 22.46 1nkt s ALA 616 CO -0.09 -0.57 1.65 0.87 0.00 0.00 0.00 175.76 177.62 1nkt h LYS 617 N 7.70 0.24 -0.37 0.00 6.56 -1.99 -0.77 116.57 127.94 1nkt h LYS 617 Ca -0.24 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.28 1nkt h LYS 617 Cb 1.14 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.73 1nkt h LYS 617 CO 0.18 0.16 -0.00 1.98 -2.06 0.00 0.00 179.45 179.71 1nkt h MET 618 N 0.25 0.59 0.03 3.15 4.05 -1.99 -0.59 114.93 120.42 1nkt h MET 618 Ca 0.58 -0.13 -0.24 0.00 -0.28 0.00 0.00 59.70 59.63 1nkt h MET 618 Cb 1.19 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1nkt h MET 618 CO -0.63 0.61 -1.01 0.28 0.23 0.00 0.00 176.91 176.39 1nkt h VAL 619 N 0.56 1.42 -0.08 -5.77 2.07 -1.59 -2.31 116.25 110.54 1nkt h VAL 619 Ca 0.12 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 1nkt h VAL 619 Cb 0.36 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1nkt h VAL 619 CO 0.01 0.76 0.04 0.74 0.02 0.00 0.00 177.57 179.15 1nkt h THR 620 N 0.20 1.11 -0.70 2.57 2.02 -1.10 -1.46 112.91 115.54 1nkt h THR 620 Ca -0.09 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 66.90 1nkt h THR 620 Cb 1.66 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 69.15 1nkt h THR 620 CO 0.17 0.09 0.29 0.03 0.37 0.00 0.00 175.52 176.47 1nkt h ARG 621 N 0.02 0.45 -0.35 6.66 3.08 -1.17 -1.59 114.38 121.48 1nkt h ARG 621 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1nkt h ARG 621 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1nkt h ARG 621 CO -0.00 0.30 0.12 0.00 -1.07 0.00 0.00 179.97 179.32 1nkt h ALA 622 N 1.49 0.46 0.75 0.04 0.00 -0.79 0.11 119.26 121.32 1nkt h ALA 622 Ca 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1nkt h ALA 622 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nkt h ALA 622 CO -0.35 0.08 -0.40 0.82 0.00 0.00 0.00 179.25 179.40 1nkt h ILE 623 N 0.42 0.18 -0.85 0.00 2.04 -1.09 -0.72 117.51 117.48 1nkt h ILE 623 Ca 0.12 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.19 1nkt h ILE 623 Cb 0.22 0.18 -0.15 0.00 -0.74 0.00 0.00 36.82 36.33 1nkt h ILE 623 CO -0.01 0.00 0.08 0.50 0.00 0.00 0.00 178.15 178.72 1nkt h LYS 624 N -1.07 0.11 -0.02 2.37 1.63 -1.19 -1.36 116.57 117.04 1nkt h LYS 624 Ca -0.10 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.54 1nkt h LYS 624 Cb 0.84 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1nkt h LYS 624 CO 0.14 0.07 -0.70 1.03 -3.45 0.00 0.00 179.45 176.54 1nkt h SER 625 N 0.11 0.11 0.60 4.20 0.87 -0.48 -0.40 113.55 118.56 1nkt h SER 625 Ca 0.50 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 1nkt h SER 625 Cb 0.97 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1nkt h SER 625 CO -0.73 0.77 -0.29 0.00 -0.53 0.00 0.00 176.83 176.05 1nkt h ALA 626 N 1.22 -0.81 -0.68 6.23 0.00 -0.02 -2.59 119.26 122.62 1nkt h ALA 626 Ca -0.01 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1nkt h ALA 626 Cb 1.24 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 1nkt h ALA 626 CO 0.10 -0.84 0.22 0.37 0.00 0.00 0.00 179.25 179.10 1nkt h GLN 627 N -1.05 0.35 0.00 0.00 4.15 -1.35 -1.44 115.11 115.78 1nkt h GLN 627 Ca -0.08 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1nkt h GLN 627 Cb 0.67 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1nkt h GLN 627 CO 0.14 0.23 -0.08 1.15 -1.93 0.00 0.00 178.83 178.34 1nkt h THR 628 N 0.36 0.85 -0.01 2.39 2.02 -1.06 -1.79 112.91 115.67 1nkt h THR 628 Ca 0.36 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 67.08 1nkt h THR 628 Cb 0.53 1.16 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1nkt h THR 628 CO -0.39 0.08 -0.67 1.56 0.37 0.00 0.00 175.52 176.46 1nkt h GLN 629 N 0.00 0.47 -0.52 6.66 4.20 -0.86 -1.98 115.11 123.09 1nkt h GLN 629 Ca -0.00 -0.49 0.04 0.00 0.06 0.00 0.00 58.65 58.26 1nkt h GLN 629 Cb 0.16 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1nkt h GLN 629 CO 0.01 1.14 0.27 0.28 -0.67 0.00 0.00 178.83 179.86 1nkt h VAL 630 N 0.01 0.97 0.11 -0.54 2.07 -1.04 0.97 116.25 118.79 1nkt h VAL 630 Ca -0.08 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1nkt h VAL 630 Cb 1.36 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1nkt h VAL 630 CO 0.13 0.10 -0.48 -0.33 0.02 0.00 0.00 177.57 177.01 1nkt h GLU 631 N 0.53 -0.68 -0.98 1.57 5.08 -1.37 -0.92 114.58 117.81 1nkt h GLU 631 Ca 0.23 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1nkt h GLU 631 Cb 0.12 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1nkt h GLU 631 CO -0.15 -0.45 0.64 1.96 -1.00 0.00 0.00 179.01 180.01 1nkt h GLN 632 N -0.70 1.16 0.28 2.33 1.08 -1.11 -0.07 115.11 118.07 1nkt h GLN 632 Ca 0.01 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1nkt h GLN 632 Cb 0.73 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1nkt h GLN 632 CO -0.28 0.77 -0.13 0.37 -0.95 0.00 0.00 178.83 178.61 1nkt h GLN 633 N 1.20 -0.36 -0.71 1.46 4.15 -0.51 -1.51 115.11 118.83 1nkt h GLN 633 Ca 0.41 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.99 1nkt h GLN 633 Cb 0.08 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.76 1nkt h GLN 633 CO -0.14 -0.19 0.21 -0.91 -1.93 0.00 0.00 178.83 175.87 1nkt h ASN 634 N -0.44 0.11 -0.68 -0.69 2.35 -0.91 -0.81 115.58 114.52 1nkt h ASN 634 Ca -0.04 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1nkt h ASN 634 Cb 0.33 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1nkt h ASN 634 CO 0.06 0.03 0.43 0.15 -1.65 0.00 0.00 177.43 176.45 1nkt h PHE 635 N 0.33 0.81 0.00 1.19 3.57 -0.79 -2.19 116.94 119.86 1nkt h PHE 635 Ca 0.39 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.79 1nkt h PHE 635 Cb 0.63 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1nkt h PHE 635 CO -0.22 0.48 -0.59 0.93 -2.23 0.00 0.00 178.31 176.67 1nkt h GLU 636 N 0.85 0.00 0.27 1.11 4.39 -0.45 -0.93 114.58 119.83 1nkt h GLU 636 Ca 0.27 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1nkt h GLU 636 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1nkt h GLU 636 CO -0.09 0.59 -0.13 0.28 -1.16 0.00 0.00 179.01 178.50 1nkt h VAL 637 N 0.00 0.77 -0.40 3.13 2.07 -0.89 -1.70 116.25 119.23 1nkt h VAL 637 Ca -0.01 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1nkt h VAL 637 Cb 1.09 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 1nkt h VAL 637 CO 0.08 0.08 -0.18 -0.09 0.02 0.00 0.00 177.57 177.48 1nkt h ARG 638 N -0.55 -0.10 -0.30 1.57 2.43 -1.29 0.17 114.38 116.32 1nkt h ARG 638 Ca -0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1nkt h ARG 638 Cb 0.41 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1nkt h ARG 638 CO 0.06 -0.06 0.18 -0.22 -1.51 0.00 0.00 179.97 178.42 1nkt h LYS 639 N -0.10 0.39 0.20 0.20 3.64 -1.12 -1.64 116.57 118.14 1nkt h LYS 639 Ca 0.20 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.29 1nkt h LYS 639 Cb 0.40 -0.09 0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1nkt h LYS 639 CO -0.46 0.27 -1.15 -0.91 -2.27 0.00 0.00 179.45 174.93 1nkt h ASN 640 N 0.40 0.67 -0.48 4.20 2.35 -0.26 -2.65 115.58 119.81 1nkt h ASN 640 Ca 0.11 -0.93 0.08 0.00 -0.55 0.00 0.00 56.30 55.01 1nkt h ASN 640 Cb -0.02 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.06 1nkt h ASN 640 CO -0.02 1.55 0.08 0.58 -1.65 0.00 0.00 177.43 177.98 1nkt h VAL 641 N -0.10 0.72 -0.45 2.81 2.07 -0.53 -2.18 116.25 118.59 1nkt h VAL 641 Ca -0.20 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1nkt h VAL 641 Cb 1.90 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1nkt h VAL 641 CO 0.22 0.04 -0.03 0.25 0.02 0.00 0.00 177.57 178.07 1nkt h LEU 642 N 0.22 0.72 -0.22 2.57 5.85 -1.36 -1.99 115.31 121.09 1nkt h LEU 642 Ca 0.24 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1nkt h LEU 642 Cb 0.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1nkt h LEU 642 CO -0.33 0.81 0.08 0.11 -0.34 0.00 0.00 178.44 178.77 1nkt h LYS 643 N 0.70 0.34 -0.01 1.25 1.57 -1.03 -2.14 116.57 117.25 1nkt h LYS 643 Ca 0.13 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1nkt h LYS 643 Cb 0.47 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1nkt h LYS 643 CO 0.02 0.41 -0.59 1.88 -0.57 0.00 0.00 179.45 180.61 1nkt h TYR 644 N 0.20 0.04 0.00 -1.35 -1.99 -1.38 -2.96 116.97 109.53 1nkt h TYR 644 Ca 0.07 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 1nkt h TYR 644 Cb 0.21 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1nkt h TYR 644 CO -0.00 0.61 -0.42 0.22 -0.00 0.00 0.00 178.16 178.57 1nkt h ASP 645 N 0.02 0.00 -0.84 3.88 3.58 -1.15 -3.16 116.42 118.75 1nkt h ASP 645 Ca -0.01 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1nkt h ASP 645 Cb 1.05 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 1nkt h ASP 645 CO 0.08 0.42 0.56 -0.33 -2.88 0.00 0.00 179.24 177.08 1nkt h GLU 646 N 0.00 1.10 -0.27 0.28 4.39 -1.21 0.28 114.58 119.15 1nkt h GLU 646 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1nkt h GLU 646 Cb 0.78 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1nkt h GLU 646 CO 0.05 0.73 0.18 0.28 -1.16 0.00 0.00 179.01 179.09 1nkt h VAL 647 N 1.13 1.07 0.00 3.13 2.07 -1.67 -2.05 116.25 119.93 1nkt h VAL 647 Ca 0.31 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1nkt h VAL 647 Cb -0.11 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1nkt h VAL 647 CO -0.07 0.07 0.00 0.24 0.02 0.00 0.00 177.57 177.83 1nkt h MET 648 N 0.36 0.00 -0.26 1.57 2.86 -1.54 -3.18 114.93 114.74 1nkt h MET 648 Ca 0.10 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 1nkt h MET 648 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1nkt h MET 648 CO -0.02 0.00 -0.47 -0.97 1.06 0.00 0.00 176.91 176.50 1nkt h ASN 649 N 0.00 0.76 -0.27 1.22 -0.00 0.12 -1.59 115.58 115.81 1nkt h ASN 649 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 56.30 55.93 1nkt h ASN 649 Cb 0.92 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 39.01 1nkt h ASN 649 CO 0.00 1.11 0.17 1.56 -0.00 0.00 0.00 177.43 180.27 1nkt h GLN 650 N 0.55 0.36 -0.63 6.67 1.08 -1.37 -2.62 115.11 119.15 1nkt h GLN 650 Ca 0.03 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1nkt h GLN 650 Cb 1.03 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 1nkt h GLN 650 CO 0.10 0.27 0.18 1.96 -0.95 0.00 0.00 178.83 180.39 1nkt h GLN 651 N 0.35 1.00 0.00 1.46 4.20 -1.55 -3.06 115.11 117.50 1nkt h GLN 651 Ca 0.10 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.46 1nkt h GLN 651 Cb -0.01 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1nkt h GLN 651 CO -0.02 0.89 -0.57 0.07 -0.67 0.00 0.00 178.83 178.52 1nkt h ARG 652 N 0.92 0.00 -0.19 1.46 0.11 -1.19 -2.32 114.38 113.17 1nkt h ARG 652 Ca 0.20 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.33 1nkt h ARG 652 Cb 0.32 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.33 1nkt h ARG 652 CO -0.00 0.57 -0.46 0.87 0.10 0.00 0.00 179.97 181.05 1nkt h LYS 653 N 0.00 -0.47 0.33 0.08 1.79 -1.37 0.70 116.57 117.64 1nkt h LYS 653 Ca -0.01 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1nkt h LYS 653 Cb 1.20 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1nkt h LYS 653 CO 0.07 -0.31 -0.36 0.28 -1.08 0.00 0.00 179.45 178.06 1nkt h VAL 654 N -0.49 0.27 -0.15 0.50 2.07 -1.48 -0.15 116.25 116.82 1nkt h VAL 654 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1nkt h VAL 654 Cb 0.64 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1nkt h VAL 654 CO -0.45 0.00 0.07 0.40 0.02 0.00 0.00 177.57 177.61 1nkt h ILE 655 N -0.72 0.99 -0.93 4.57 1.08 -1.26 -2.03 117.51 119.21 1nkt h ILE 655 Ca -0.02 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 1nkt h ILE 655 Cb 0.66 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.17 1nkt h ILE 655 CO -0.08 0.03 0.61 1.88 -0.69 0.00 0.00 178.15 179.90 1nkt h TYR 656 N 0.15 1.11 -0.62 1.37 0.05 0.52 -1.01 116.97 118.54 1nkt h TYR 656 Ca 0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 1nkt h TYR 656 Cb 0.02 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.36 1nkt h TYR 656 CO -0.10 0.62 0.27 0.00 -1.05 0.00 0.00 178.16 177.90 1nkt h ALA 657 N 1.47 0.81 -0.17 3.88 0.00 -0.60 -1.50 119.26 123.15 1nkt h ALA 657 Ca 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1nkt h ALA 657 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nkt h ALA 657 CO -0.13 0.40 0.10 0.93 0.00 0.00 0.00 179.25 180.55 1nkt h GLU 658 N 0.86 0.23 -0.95 0.00 4.39 -0.64 -2.14 114.58 116.33 1nkt h GLU 658 Ca 0.21 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.94 1nkt h GLU 658 Cb 0.17 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1nkt h GLU 658 CO -0.02 0.21 0.61 0.00 -1.16 0.00 0.00 179.01 178.65 1nkt h ARG 659 N 0.19 1.10 0.34 2.33 3.08 -0.98 -2.75 114.38 117.68 1nkt h ARG 659 Ca 0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1nkt h ARG 659 Cb 0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1nkt h ARG 659 CO -0.01 0.73 -0.22 0.00 -1.07 0.00 0.00 179.97 179.40 1nkt h ARG 660 N 1.14 -0.52 -0.89 0.04 3.08 -1.00 -1.08 114.38 115.15 1nkt h ARG 660 Ca 0.40 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.62 1nkt h ARG 660 Cb 0.11 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.14 1nkt h ARG 660 CO -0.16 -0.35 -0.37 0.54 -1.07 0.00 0.00 179.97 178.57 1nkt n ARG 661 N -5.35 -0.23 -0.00 0.04 1.74 -0.83 -1.21 116.66 110.82 1nkt n ARG 661 Ca -0.10 1.36 -0.13 0.00 -0.77 0.00 0.00 57.85 58.22 1nkt n ARG 661 Cb 0.26 -2.02 -0.09 0.00 -1.02 0.00 0.00 32.46 29.58 1nkt n ARG 661 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1nkt h ILE 662 N 0.00 1.32 -0.19 0.55 2.04 -1.15 -2.77 117.51 117.30 1nkt h ILE 662 Ca 0.29 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.24 1nkt h ILE 662 Cb 0.51 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1nkt h ILE 662 CO -0.88 0.25 0.16 -0.07 0.00 0.00 0.00 178.15 177.61 1nkt h LEU 663 N -0.43 0.00 -0.01 1.44 3.38 -0.84 0.44 115.31 119.30 1nkt h LEU 663 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nkt h LEU 663 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1nkt h LEU 663 CO 0.00 0.00 -0.18 1.21 0.09 0.00 0.00 178.44 179.56 1nkt n GLU 664 N -4.24 0.03 -1.39 1.13 2.13 -0.35 -4.00 120.64 113.96 1nkt n GLU 664 Ca 0.02 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1nkt n GLU 664 Cb 0.29 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.50 1nkt n GLU 664 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nkt n GLY 665 N 1.49 0.41 3.74 8.31 0.00 0.14 -5.02 105.19 114.26 1nkt n GLY 665 Ca 0.07 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1nkt n GLY 665 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nkt n GLU 666 N -2.10 1.33 -2.41 1.61 1.02 -1.06 -4.93 120.64 114.12 1nkt n GLU 666 Ca 0.00 0.51 -0.43 0.00 -0.02 0.00 0.00 57.16 57.22 1nkt n GLU 666 Cb 0.21 -2.56 -0.02 0.00 -0.02 0.00 0.00 31.44 29.06 1nkt n GLU 666 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1nkt s ASN 667 N -1.21 6.66 0.00 1.62 3.84 -1.26 -4.89 114.94 119.70 1nkt s ASN 667 Ca 0.79 1.23 0.20 0.00 0.21 0.00 0.00 52.86 55.29 1nkt s ASN 667 Cb -0.39 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.19 1nkt s ASN 667 CO 0.43 -1.09 1.36 0.18 -2.79 0.00 0.00 177.10 175.20 1nkt n LEU 668 N 7.66 3.36 -0.33 3.21 4.77 -1.26 -4.58 117.00 129.83 1nkt n LEU 668 Ca 0.15 -1.64 0.13 0.00 -0.03 0.00 0.00 56.01 54.62 1nkt n LEU 668 Cb 0.46 -0.27 0.31 0.00 -2.33 0.00 0.00 43.42 41.59 1nkt n LEU 668 CO 0.63 0.76 1.14 0.50 -1.33 0.00 0.00 177.39 179.09 1nkt h LYS 669 N 3.88 0.61 -0.14 3.23 3.64 -1.94 0.13 116.57 125.98 1nkt h LYS 669 Ca 0.00 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1nkt h LYS 669 Cb 0.91 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1nkt h LYS 669 CO 0.00 0.40 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.79 1nkt h ASP 670 N 0.63 0.55 -0.57 4.20 3.32 -1.99 -0.03 116.42 122.54 1nkt h ASP 670 Ca 0.57 -0.58 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1nkt h ASP 670 Cb 0.95 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1nkt h ASP 670 CO -0.43 1.03 0.21 0.06 -1.72 0.00 0.00 179.24 178.40 1nkt h GLN 671 N 0.09 0.86 0.04 3.56 -0.00 -1.74 0.20 115.11 118.12 1nkt h GLN 671 Ca -0.01 -0.17 0.02 0.00 -0.00 0.00 0.00 58.65 58.50 1nkt h GLN 671 Cb 0.97 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.48 28.28 1nkt h GLN 671 CO 0.08 0.75 -0.20 0.00 -0.00 0.00 0.00 178.83 179.46 1nkt h ALA 672 N 1.06 -0.29 -0.40 0.06 0.00 -0.72 -1.35 119.26 117.62 1nkt h ALA 672 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1nkt h ALA 672 Cb 0.23 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nkt h ALA 672 CO -0.01 -0.71 0.18 -0.07 0.00 0.00 0.00 179.25 178.64 1nkt h LEU 673 N -0.35 0.49 -0.25 0.00 3.38 -0.67 -1.78 115.31 116.14 1nkt h LEU 673 Ca 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nkt h LEU 673 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1nkt h LEU 673 CO -0.16 0.43 0.02 -0.78 0.09 0.00 0.00 178.44 178.05 1nkt h ASP 674 N 0.56 0.40 -0.17 -0.43 3.58 -0.32 -1.63 116.42 118.42 1nkt h ASP 674 Ca 0.14 -0.28 0.04 0.00 0.42 0.00 0.00 57.03 57.35 1nkt h ASP 674 Cb 0.07 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1nkt h ASP 674 CO -0.02 0.58 -0.06 0.24 -2.88 0.00 0.00 179.24 177.10 1nkt h MET 675 N 0.21 -0.03 -0.51 0.28 2.86 -0.96 0.63 114.93 117.40 1nkt h MET 675 Ca 0.07 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1nkt h MET 675 Cb 0.36 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.92 1nkt h MET 675 CO 0.01 -0.02 -0.30 0.28 1.06 0.00 0.00 176.91 177.93 1nkt h VAL 676 N -0.04 0.23 -0.50 -2.22 2.07 -1.32 0.12 116.25 114.59 1nkt h VAL 676 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1nkt h VAL 676 Cb 0.16 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1nkt h VAL 676 CO -0.19 0.00 0.33 -0.09 0.02 0.00 0.00 177.57 177.64 1nkt h ARG 677 N -0.18 0.65 -0.76 1.57 2.43 -0.68 -1.81 114.38 115.61 1nkt h ARG 677 Ca 0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1nkt h ARG 677 Cb 0.53 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1nkt h ARG 677 CO -0.61 0.43 0.49 0.22 -1.51 0.00 0.00 179.97 178.99 1nkt h ASP 678 N 0.67 0.88 -0.08 -3.80 -0.00 0.10 0.14 116.42 114.34 1nkt h ASP 678 Ca 0.18 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.03 57.10 1nkt h ASP 678 Cb -0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.03 1nkt h ASP 678 CO -0.04 0.65 -0.26 0.58 -0.00 0.00 0.00 179.24 180.17 1nkt h VAL 679 N 1.03 1.42 -0.36 2.25 2.07 -0.70 -2.54 116.25 119.42 1nkt h VAL 679 Ca 0.28 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1nkt h VAL 679 Cb -0.09 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1nkt h VAL 679 CO -0.06 0.47 -0.05 0.40 0.02 0.00 0.00 177.57 178.35 1nkt h ILE 680 N -0.18 1.22 -0.41 4.57 2.04 -1.14 -1.77 117.51 121.84 1nkt h ILE 680 Ca -0.01 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1nkt h ILE 680 Cb 0.89 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1nkt h ILE 680 CO 0.06 0.31 0.27 0.74 0.00 0.00 0.00 178.15 179.53 1nkt h THR 681 N 0.55 1.10 -0.24 -0.27 2.02 -0.72 -2.04 112.91 113.30 1nkt h THR 681 Ca 0.11 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 1nkt h THR 681 Cb 0.42 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1nkt h THR 681 CO 0.02 0.10 -0.47 0.00 0.37 0.00 0.00 175.52 175.54 1nkt h ALA 682 N 1.15 0.72 0.19 6.16 0.00 -1.04 -1.05 119.26 125.39 1nkt h ALA 682 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1nkt h ALA 682 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nkt h ALA 682 CO -0.04 0.67 -0.09 1.88 0.00 0.00 0.00 179.25 181.67 1nkt h TYR 683 N 0.51 -0.24 0.24 0.00 0.05 -1.27 0.20 116.97 116.46 1nkt h TYR 683 Ca 0.03 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1nkt h TYR 683 Cb 1.01 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.80 1nkt h TYR 683 CO 0.05 -0.05 -0.34 0.28 -1.05 0.00 0.00 178.16 177.04 1nkt h VAL 684 N -0.38 0.29 -0.52 -2.88 2.07 -1.33 -2.08 116.25 111.42 1nkt h VAL 684 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1nkt h VAL 684 Cb 0.29 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1nkt h VAL 684 CO 0.04 0.00 -0.44 -0.78 0.02 0.00 0.00 177.57 176.41 1nkt h ASP 685 N -0.64 -1.51 0.00 0.57 3.58 -1.18 -1.51 116.42 115.72 1nkt h ASP 685 Ca 0.00 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1nkt h ASP 685 Cb 0.62 0.67 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1nkt h ASP 685 CO -0.13 -0.35 0.01 0.61 -2.88 0.00 0.00 179.24 176.50 1nkt n GLY 686 N -1.40 -0.70 0.09 -0.78 0.00 0.68 -0.65 105.19 102.43 1nkt n GLY 686 Ca 0.01 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1nkt n GLY 686 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nkt n ALA 687 N -1.65 2.21 0.00 4.61 0.00 -0.64 -4.85 120.51 120.18 1nkt n ALA 687 Ca -0.01 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1nkt n ALA 687 Cb 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1nkt n ALA 687 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1nkt n THR 688 N -1.24 0.00 0.00 0.00 5.66 0.18 -4.48 114.28 114.40 1nkt n THR 688 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1nkt n THR 688 Cb 0.60 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 1nkt n THR 688 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nkt n GLY 689 N 2.56 0.00 0.00 1.09 0.00 -1.16 -4.64 105.19 103.04 1nkt n GLY 689 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nkt n GLY 689 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nkt n GLU 690 N 0.00 1.30 0.00 1.61 0.00 -1.26 -4.49 120.64 117.80 1nkt n GLU 690 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1nkt n GLU 690 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1nkt n GLU 690 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nkt n GLY 691 N 5.00 0.72 2.56 -1.84 0.00 -1.26 -4.56 105.19 105.81 1nkt n GLY 691 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1nkt n GLY 691 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nkt n TYR 692 N 0.00 0.00 -4.04 1.61 4.01 -1.26 -4.96 117.16 112.52 1nkt n TYR 692 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1nkt n TYR 692 Cb 0.00 -2.82 -0.01 0.00 -0.31 0.00 0.00 39.34 36.21 1nkt n TYR 692 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nkt n ALA 693 N 1.28 0.03 -0.22 -0.72 0.00 -1.26 -5.01 120.51 114.61 1nkt n ALA 693 Ca -0.15 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.15 1nkt n ALA 693 Cb 0.56 0.10 0.28 0.00 0.00 0.00 0.00 19.45 20.38 1nkt n ALA 693 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1nkt h GLU 694 N 0.00 0.91 -5.03 0.00 9.09 -2.00 -3.33 114.58 114.22 1nkt h GLU 694 Ca -0.03 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.32 1nkt h GLU 694 Cb 0.10 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 26.99 1nkt h GLU 694 CO 0.05 0.60 0.68 -3.47 0.05 0.00 0.00 179.01 176.93 1nkt n ASP 695 N -4.45 -0.94 -0.23 3.06 2.03 -1.26 -4.54 116.55 110.22 1nkt n ASP 695 Ca 0.10 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.66 1nkt n ASP 695 Cb 0.13 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1nkt n ASP 695 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1nkt n TRP 696 N 9.48 -0.22 -3.50 -0.67 8.01 -1.25 -4.58 117.44 124.71 1nkt n TRP 696 Ca 0.13 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 56.03 1nkt n TRP 696 Cb 0.49 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.67 1nkt n TRP 696 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1nkt s ASP 697 N 1.32 3.08 0.14 -0.99 -1.08 -1.26 -4.97 116.67 112.91 1nkt s ASP 697 Ca 0.00 -2.18 0.14 0.00 -0.52 0.00 0.00 52.55 49.99 1nkt s ASP 697 Cb 0.00 -0.47 -0.08 0.00 -1.46 0.00 0.00 42.92 40.91 1nkt s ASP 697 CO 0.00 -0.31 1.11 -0.07 0.52 0.00 0.00 175.17 176.42 1nkt h LEU 698 N 7.06 0.00 -0.49 -1.34 -0.00 -1.93 -3.17 115.31 115.45 1nkt h LEU 698 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 1nkt h LEU 698 Cb 0.97 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.61 1nkt h LEU 698 CO 0.30 0.65 -0.11 0.44 -0.00 0.00 0.00 178.44 179.72 1nkt h ASP 699 N 0.00 0.94 -0.59 -0.43 5.19 -1.99 -0.00 116.42 119.53 1nkt h ASP 699 Ca -0.09 -0.36 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 1nkt h ASP 699 Cb 1.58 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1nkt h ASP 699 CO 0.07 1.08 0.02 0.00 -3.12 0.00 0.00 179.24 177.29 1nkt h ALA 700 N 0.89 0.89 -0.23 3.45 0.00 -1.98 -2.80 119.26 119.48 1nkt h ALA 700 Ca 0.12 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1nkt h ALA 700 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nkt h ALA 700 CO 0.05 0.66 -0.53 1.25 0.00 0.00 0.00 179.25 180.68 1nkt h LEU 701 N 0.96 0.86 -0.10 0.00 5.85 -1.48 -2.88 115.31 118.52 1nkt h LEU 701 Ca 0.18 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1nkt h LEU 701 Cb 0.53 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nkt h LEU 701 CO 0.03 1.26 -0.06 -0.50 -0.34 0.00 0.00 178.44 178.83 1nkt h TRP 702 N 0.50 0.26 -0.72 1.25 6.55 -1.00 -2.48 115.95 120.31 1nkt h TRP 702 Ca -0.00 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 59.72 1nkt h TRP 702 Cb 1.14 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 29.35 1nkt h TRP 702 CO 0.08 0.58 0.22 1.15 -1.05 0.00 0.00 178.44 179.43 1nkt h THR 703 N -0.15 1.26 -0.52 1.49 2.02 -1.60 0.49 112.91 115.90 1nkt h THR 703 Ca 0.02 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 1nkt h THR 703 Cb 0.52 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1nkt h THR 703 CO 0.02 0.35 0.04 0.00 0.37 0.00 0.00 175.52 176.29 1nkt h ALA 704 N 1.18 1.09 0.00 6.16 0.00 -1.50 -2.67 119.26 123.51 1nkt h ALA 704 Ca 0.23 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1nkt h ALA 704 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1nkt h ALA 704 CO -0.01 0.58 -0.90 -0.07 0.00 0.00 0.00 179.25 178.85 1nkt h LEU 705 N 0.80 0.00 -0.98 0.00 3.38 -1.18 -3.31 115.31 114.02 1nkt h LEU 705 Ca 0.16 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1nkt h LEU 705 Cb 0.43 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1nkt h LEU 705 CO 0.02 0.90 0.63 0.50 0.09 0.00 0.00 178.44 180.57 1nkt h LYS 706 N 0.00 1.06 0.00 1.13 3.64 -0.55 0.27 116.57 122.12 1nkt h LYS 706 Ca -0.01 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1nkt h LYS 706 Cb 1.64 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1nkt h LYS 706 CO 0.12 0.70 -0.41 1.79 -2.27 0.00 0.00 179.45 179.38 1nkt h THR 707 N 1.09 0.82 -0.12 1.00 1.35 -1.65 -3.27 112.91 112.13 1nkt h THR 707 Ca 0.45 -1.79 -0.14 0.00 -0.55 0.00 0.00 66.41 64.37 1nkt h THR 707 Cb 0.27 2.14 0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1nkt h THR 707 CO -0.20 0.40 -0.48 -0.07 -0.25 0.00 0.00 175.52 174.92 1nkt h LEU 708 N 0.00 0.64 -7.25 3.87 -0.00 -1.17 -3.45 115.31 107.95 1nkt h LEU 708 Ca -0.00 -0.62 -0.05 0.00 -0.00 0.00 0.00 57.88 57.20 1nkt h LEU 708 Cb 1.11 -0.19 -0.14 0.00 -0.00 0.00 0.00 40.66 41.44 1nkt h LEU 708 CO 0.05 1.15 0.02 -0.72 -0.00 0.00 0.00 178.44 178.94 1nkt s TYR 709 N -3.76 -0.35 -1.19 1.13 1.13 -0.09 -4.32 117.35 109.90 1nkt s TYR 709 Ca -0.13 0.21 -0.22 0.00 -1.41 0.00 0.00 57.07 55.52 1nkt s TYR 709 Cb 0.06 0.34 -0.07 0.00 -1.10 0.00 0.00 41.96 41.19 1nkt s TYR 709 CO 0.83 -0.70 1.91 -0.35 -2.51 0.00 0.00 175.55 174.74 1nkt n PRO 710 N 0.04 1.77 -1.58 -3.49 -0.04 -1.26 -4.15 135.00 126.29 1nkt n PRO 710 Ca -0.17 -2.54 -0.54 0.00 -0.04 0.00 0.00 63.50 60.21 1nkt n PRO 710 Cb 0.62 -3.69 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 1nkt n PRO 710 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nkt n VAL 711 N 7.62 0.01 -0.51 0.52 0.31 -1.26 -4.90 118.33 120.12 1nkt n VAL 711 Ca 0.45 -0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.83 1nkt n VAL 711 Cb 0.46 -0.67 0.09 0.00 -0.91 0.00 0.00 33.84 32.81 1nkt n VAL 711 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nkt n GLY 712 N 2.41 3.78 3.24 2.92 0.00 -1.26 -5.03 105.19 111.26 1nkt n GLY 712 Ca 0.19 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1nkt n GLY 712 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nkt s ILE 713 N -1.87 0.94 0.07 -0.61 -4.36 -1.26 -5.12 121.20 108.98 1nkt s ILE 713 Ca 0.18 -2.01 -0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1nkt s ILE 713 Cb 0.15 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 1nkt s ILE 713 CO 0.03 -0.67 0.22 -0.89 0.24 0.00 0.00 174.94 173.88 1nkt s THR 714 N -3.48 5.37 0.55 8.37 2.01 -1.26 -4.96 115.64 122.25 1nkt s THR 714 Ca 0.19 -0.36 0.24 0.00 0.31 0.00 0.00 61.69 62.07 1nkt s THR 714 Cb 0.04 -3.63 0.34 0.00 0.01 0.00 0.00 72.50 69.27 1nkt s THR 714 CO 0.01 0.13 2.09 0.00 -0.69 0.00 0.00 174.62 176.17 1nkt h ALA 715 N 3.06 2.07 -0.33 7.40 0.00 -2.00 -1.82 119.26 127.63 1nkt h ALA 715 Ca -0.45 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1nkt h ALA 715 Cb 1.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1nkt h ALA 715 CO 0.76 -0.30 -0.32 -0.44 0.00 0.00 0.00 179.25 178.95 1nkt h ASP 716 N 0.00 0.86 -1.01 0.00 5.19 -1.97 -3.12 116.42 116.36 1nkt h ASP 716 Ca 0.11 -0.46 0.26 0.00 -0.62 0.00 0.00 57.03 56.31 1nkt h ASP 716 Cb 0.47 -0.24 -0.08 0.00 0.18 0.00 0.00 39.33 39.66 1nkt h ASP 716 CO -0.00 1.15 0.68 -1.28 -3.12 0.00 0.00 179.24 176.66 1nkt h SER 717 N 0.59 0.33 -0.08 6.45 0.87 -1.71 -2.56 113.55 117.44 1nkt h SER 717 Ca 0.05 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1nkt h SER 717 Cb 0.90 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1nkt h SER 717 CO 0.08 0.08 0.00 0.18 -0.53 0.00 0.00 176.83 176.64 1nkt n LEU 718 N -4.50 2.27 -3.91 2.23 4.77 -1.22 -5.02 117.00 111.62 1nkt n LEU 718 Ca 0.23 -1.17 -0.39 0.00 -0.03 0.00 0.00 56.01 54.66 1nkt n LEU 718 Cb 0.90 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1nkt n LEU 718 CO 0.30 0.45 0.78 0.35 -1.33 0.00 0.00 177.39 177.94 1nkt n THR 719 N 0.74 4.35 0.00 -5.08 -2.24 -0.97 -5.13 114.28 105.95 1nkt n THR 719 Ca 0.09 -5.64 0.00 0.00 -2.27 0.00 0.00 64.05 56.23 1nkt n THR 719 Cb 0.35 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 1nkt n THR 719 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1nkt n LEU 735 N 1.44 0.00 -0.03 3.22 7.94 -1.26 -5.07 117.00 123.23 1nkt n LEU 735 Ca 0.26 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.04 1nkt n LEU 735 Cb 0.36 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.23 1nkt n LEU 735 CO 0.59 0.00 0.67 0.25 -1.11 0.00 0.00 177.39 177.79 1nkt h LEU 736 N 0.00 0.16 -0.84 -1.96 5.85 -1.98 -1.90 115.31 114.65 1nkt h LEU 736 Ca 0.00 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1nkt h LEU 736 Cb 0.00 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1nkt h LEU 736 CO 0.00 0.54 0.51 -0.08 -0.34 0.00 0.00 178.44 179.08 1nkt h GLU 737 N -0.21 0.90 0.35 1.25 4.57 -2.01 -0.00 114.58 119.42 1nkt h GLU 737 Ca 0.02 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1nkt h GLU 737 Cb 0.48 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1nkt h GLU 737 CO 0.01 0.59 -0.28 0.00 -1.18 0.00 0.00 179.01 178.16 1nkt h ALA 738 N 1.41 -0.63 0.00 2.92 0.00 -2.01 -2.52 119.26 118.43 1nkt h ALA 738 Ca 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nkt h ALA 738 Cb 0.20 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nkt h ALA 738 CO -0.18 -0.88 -0.02 -0.07 0.00 0.00 0.00 179.25 178.10 1nkt h LEU 739 N -0.63 0.00 0.16 0.00 3.38 -0.84 -2.83 115.31 114.56 1nkt h LEU 739 Ca -0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.64 1nkt h LEU 739 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1nkt h LEU 739 CO -0.01 0.02 -1.42 -0.07 0.09 0.00 0.00 178.44 177.05 1nkt h LEU 740 N 0.00 0.53 -0.72 1.67 3.38 -0.67 -2.70 115.31 116.80 1nkt h LEU 740 Ca -0.00 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.22 1nkt h LEU 740 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1nkt h LEU 740 CO 0.00 1.49 -0.47 0.11 0.09 0.00 0.00 178.44 179.67 1nkt h LYS 741 N 0.09 0.41 -0.19 1.13 6.56 -1.24 0.13 116.57 123.47 1nkt h LYS 741 Ca -0.21 -0.23 -0.02 0.00 -1.06 0.00 0.00 60.65 59.13 1nkt h LYS 741 Cb 2.04 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 33.71 1nkt h LYS 741 CO 0.21 0.80 0.03 0.22 -2.06 0.00 0.00 179.45 178.64 1nkt h ASP 742 N 0.33 0.30 -0.51 0.86 3.58 -1.54 -0.13 116.42 119.31 1nkt h ASP 742 Ca 0.02 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.12 1nkt h ASP 742 Cb 0.95 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1nkt h ASP 742 CO 0.08 0.48 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 1nkt h ALA 743 N 0.83 0.95 -0.42 -0.78 0.00 -1.43 0.20 119.26 118.61 1nkt h ALA 743 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1nkt h ALA 743 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nkt h ALA 743 CO 0.00 0.63 0.06 1.49 0.00 0.00 0.00 179.25 181.44 1nkt h GLU 744 N 0.88 0.64 0.00 0.00 4.81 -0.52 0.13 114.58 120.52 1nkt h GLU 744 Ca 0.16 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1nkt h GLU 744 Cb 0.51 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1nkt h GLU 744 CO 0.03 0.62 -0.89 -0.09 -0.73 0.00 0.00 179.01 177.94 1nkt h ARG 745 N 0.62 0.00 -0.09 1.92 2.43 -0.79 -2.88 114.38 115.59 1nkt h ARG 745 Ca 0.14 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 1nkt h ARG 745 Cb 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1nkt h ARG 745 CO 0.00 0.13 -0.55 0.00 -1.51 0.00 0.00 179.97 178.05 1nkt h ALA 746 N 1.79 0.89 -0.58 2.80 0.00 0.17 -1.02 119.26 123.31 1nkt h ALA 746 Ca -0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1nkt h ALA 746 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1nkt h ALA 746 CO 0.02 0.69 -0.04 -0.92 0.00 0.00 0.00 179.25 179.00 1nkt h TYR 747 N 0.22 1.16 -0.33 0.00 5.03 -0.82 0.51 116.97 122.73 1nkt h TYR 747 Ca 0.00 -0.21 -0.04 0.00 2.58 0.00 0.00 58.73 61.05 1nkt h TYR 747 Cb 1.03 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 1nkt h TYR 747 CO 0.02 1.04 0.02 0.00 -1.32 0.00 0.00 178.16 177.92 1nkt h ALA 748 N 0.99 1.41 0.15 1.82 0.00 -1.27 0.13 119.26 122.50 1nkt h ALA 748 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nkt h ALA 748 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nkt h ALA 748 CO 0.04 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 1nkt h ALA 749 N 1.53 -0.21 -0.91 0.00 0.00 -1.02 -2.77 119.26 115.89 1nkt h ALA 749 Ca 0.11 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1nkt h ALA 749 Cb 0.29 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1nkt h ALA 749 CO 0.01 -0.39 0.56 -0.09 0.00 0.00 0.00 179.25 179.33 1nkt h ARG 750 N -0.66 0.92 0.09 0.00 1.12 -0.73 -1.38 114.38 113.74 1nkt h ARG 750 Ca -0.02 -0.06 0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1nkt h ARG 750 Cb 0.49 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 1nkt h ARG 750 CO 0.03 0.61 -0.11 1.49 -3.11 0.00 0.00 179.97 178.88 1nkt h GLU 751 N 0.95 -0.23 0.00 0.20 4.81 -0.76 -2.45 114.58 117.10 1nkt h GLU 751 Ca 0.42 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1nkt h GLU 751 Cb 0.32 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1nkt h GLU 751 CO -0.22 -0.15 -0.16 0.00 -0.73 0.00 0.00 179.01 177.75 1nkt h ALA 752 N 0.65 1.56 -0.69 2.92 0.00 -1.17 -0.53 119.26 122.00 1nkt h ALA 752 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1nkt h ALA 752 Cb 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nkt h ALA 752 CO -0.05 0.20 0.36 1.49 0.00 0.00 0.00 179.25 181.24 1nkt h GLU 753 N 0.00 0.98 0.00 0.00 4.81 -0.87 -1.27 114.58 118.23 1nkt h GLU 753 Ca -0.00 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1nkt h GLU 753 Cb 0.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1nkt h GLU 753 CO 0.02 0.75 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.68 1nkt h LEU 754 N 0.95 0.00 -0.39 1.64 -0.00 -0.66 0.12 115.31 116.98 1nkt h LEU 754 Ca 0.24 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.95 1nkt h LEU 754 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1nkt h LEU 754 CO -0.04 0.30 -0.46 -0.33 -0.00 0.00 0.00 178.44 177.91 1nkt h GLU 755 N 0.00 0.87 -0.55 1.13 3.07 -1.17 0.26 114.58 118.19 1nkt h GLU 755 Ca -0.00 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 1nkt h GLU 755 Cb 0.80 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.72 1nkt h GLU 755 CO 0.04 1.14 0.35 1.49 -1.40 0.00 0.00 179.01 180.62 1nkt h GLU 756 N 0.69 0.73 0.01 2.33 4.57 -0.04 -0.75 114.58 122.12 1nkt h GLU 756 Ca 0.04 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1nkt h GLU 756 Cb 1.05 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1nkt h GLU 756 CO 0.11 0.50 -0.00 0.82 -1.18 0.00 0.00 179.01 179.25 1nkt h ILE 757 N 0.74 1.46 0.00 2.32 2.04 -0.75 -3.43 117.51 119.89 1nkt h ILE 757 Ca 0.20 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1nkt h ILE 757 Cb -0.06 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1nkt h ILE 757 CO -0.04 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.59 1nkt n ALA 758 N -2.61 1.45 -0.35 1.87 0.00 0.86 -5.08 120.51 116.64 1nkt n ALA 758 Ca -0.08 -0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.12 1nkt n ALA 758 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 1nkt n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 759 N 0.02 -1.58 0.01 0.00 0.00 -0.29 -4.80 105.19 98.55 1nkt n GLY 759 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1nkt n GLY 759 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nkt n GLU 760 N -2.05 0.00 -2.76 1.61 0.00 -1.26 -1.35 120.64 114.82 1nkt n GLU 760 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1nkt n GLU 760 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.62 1nkt n GLU 760 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nkt n GLY 761 N 0.09 -0.38 0.22 -1.84 0.00 -1.26 -4.90 105.19 97.12 1nkt n GLY 761 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1nkt n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nkt h ALA 762 N 0.88 1.00 -0.08 4.61 0.00 -1.49 -3.02 119.26 121.17 1nkt h ALA 762 Ca -0.46 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1nkt h ALA 762 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nkt h ALA 762 CO 0.51 0.00 -0.65 1.98 0.00 0.00 0.00 179.25 181.09 1nkt h MET 763 N 0.00 0.31 -0.67 0.00 4.05 -1.85 -2.29 114.93 114.48 1nkt h MET 763 Ca 0.00 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1nkt h MET 763 Cb 0.73 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.54 1nkt h MET 763 CO 0.00 0.85 0.41 0.00 0.23 0.00 0.00 176.91 178.40 1nkt h ARG 764 N 0.22 0.90 0.00 0.39 2.47 -1.93 -1.82 114.38 114.62 1nkt h ARG 764 Ca -0.01 -0.07 -0.19 0.00 -1.26 0.00 0.00 59.98 58.44 1nkt h ARG 764 Cb 1.18 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.28 1nkt h ARG 764 CO 0.11 0.63 -0.91 0.37 0.56 0.00 0.00 179.97 180.73 1nkt h GLN 765 N 0.92 0.01 -0.34 0.04 5.75 -1.57 -3.07 115.11 116.84 1nkt h GLN 765 Ca 0.24 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.59 1nkt h GLN 765 Cb -0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1nkt h GLN 765 CO -0.05 0.91 -0.37 1.25 -2.65 0.00 0.00 178.83 177.92 1nkt h LEU 766 N 0.00 0.85 0.45 -2.39 5.85 -1.09 -2.06 115.31 116.91 1nkt h LEU 766 Ca -0.01 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1nkt h LEU 766 Cb 1.60 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1nkt h LEU 766 CO 0.12 1.12 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.79 1nkt h GLU 767 N 0.66 -0.58 -0.18 1.25 5.08 -1.39 -0.67 114.58 118.75 1nkt h GLU 767 Ca 0.06 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1nkt h GLU 767 Cb 0.93 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1nkt h GLU 767 CO 0.09 -0.39 -0.00 0.00 -1.00 0.00 0.00 179.01 177.70 1nkt h ARG 768 N -0.61 0.05 -0.22 2.33 3.08 -1.57 -0.85 114.38 116.60 1nkt h ARG 768 Ca -0.06 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1nkt h ARG 768 Cb 0.47 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1nkt h ARG 768 CO 0.10 0.03 0.01 -0.91 -1.07 0.00 0.00 179.97 178.13 1nkt h ASN 769 N 0.05 -0.07 -0.15 7.04 2.35 -1.34 -2.10 115.58 121.38 1nkt h ASN 769 Ca 0.08 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1nkt h ASN 769 Cb 0.11 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1nkt h ASN 769 CO -0.15 -0.00 0.03 0.58 -1.65 0.00 0.00 177.43 176.24 1nkt h VAL 770 N 0.08 1.21 -0.24 2.81 2.07 -0.81 -2.44 116.25 118.93 1nkt h VAL 770 Ca 0.10 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1nkt h VAL 770 Cb 0.12 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1nkt h VAL 770 CO -0.16 0.20 0.15 -0.07 0.02 0.00 0.00 177.57 177.71 1nkt h LEU 771 N 0.03 0.25 -0.19 2.57 3.38 -1.18 0.00 115.31 120.17 1nkt h LEU 771 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nkt h LEU 771 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1nkt h LEU 771 CO 0.00 0.18 0.11 0.25 0.09 0.00 0.00 178.44 179.07 1nkt h LEU 772 N 0.31 0.24 -0.98 1.67 5.85 -1.34 0.34 115.31 121.40 1nkt h LEU 772 Ca 0.09 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1nkt h LEU 772 Cb -0.02 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 1nkt h LEU 772 CO -0.03 0.26 0.62 0.78 -0.34 0.00 0.00 178.44 179.72 1nkt h ASN 773 N 0.21 0.94 0.03 1.25 2.35 -1.34 0.10 115.58 119.12 1nkt h ASN 773 Ca 0.07 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1nkt h ASN 773 Cb 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1nkt h ASN 773 CO -0.01 0.54 -0.02 0.58 -1.65 0.00 0.00 177.43 176.87 1nkt h VAL 774 N 1.04 1.37 -0.97 2.81 2.07 -0.21 -2.67 116.25 119.68 1nkt h VAL 774 Ca 0.46 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1nkt h VAL 774 Cb 0.36 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1nkt h VAL 774 CO -0.23 0.35 0.62 0.40 0.02 0.00 0.00 177.57 178.74 1nkt h ILE 775 N -0.68 1.06 -0.13 4.57 2.04 -0.16 -0.71 117.51 123.49 1nkt h ILE 775 Ca -0.00 -0.38 -0.16 0.00 1.00 0.00 0.00 64.86 65.32 1nkt h ILE 775 Cb 0.61 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1nkt h ILE 775 CO 0.01 0.20 -0.59 0.44 0.00 0.00 0.00 178.15 178.21 1nkt h ASP 776 N 1.11 0.47 0.04 1.72 3.32 -0.83 -1.54 116.42 120.72 1nkt h ASP 776 Ca 0.43 -0.27 -0.23 0.00 0.02 0.00 0.00 57.03 56.98 1nkt h ASP 776 Cb 0.21 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.64 1nkt h ASP 776 CO -0.19 0.96 -0.94 -0.09 -1.72 0.00 0.00 179.24 177.26 1nkt h ARG 777 N 0.31 0.56 0.00 3.56 2.43 -1.24 -2.63 114.38 117.37 1nkt h ARG 777 Ca -0.00 -0.66 -0.11 0.00 -0.81 0.00 0.00 59.98 58.40 1nkt h ARG 777 Cb 1.12 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1nkt h ARG 777 CO 0.10 1.27 -0.50 0.87 -1.51 0.00 0.00 179.97 180.20 1nkt h LYS 778 N 0.14 0.00 0.10 0.20 1.79 -1.11 -2.28 116.57 115.42 1nkt h LYS 778 Ca -0.13 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.14 1nkt h LYS 778 Cb 1.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1nkt h LYS 778 CO 0.18 0.50 -0.96 2.35 -1.08 0.00 0.00 179.45 180.44 1nkt h TRP 779 N 0.00 0.37 -0.87 -1.35 2.91 -1.33 -2.00 115.95 113.69 1nkt h TRP 779 Ca -0.01 -0.27 0.20 0.00 1.13 0.00 0.00 58.89 59.95 1nkt h TRP 779 Cb 1.04 -0.01 -0.12 0.00 -0.51 0.00 0.00 29.16 29.55 1nkt h TRP 779 CO 0.00 1.37 0.35 -0.09 -1.03 0.00 0.00 178.44 179.05 1nkt h ARG 780 N -0.50 0.38 -0.29 2.65 2.43 -1.51 0.18 114.38 117.72 1nkt h ARG 780 Ca -0.20 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.81 1nkt h ARG 780 Cb 1.56 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1nkt h ARG 780 CO 0.06 0.25 -0.37 0.93 -1.51 0.00 0.00 179.97 179.33 1nkt h GLU 781 N 0.39 0.76 -0.49 0.20 5.08 -1.33 -2.46 114.58 116.73 1nkt h GLU 781 Ca 0.53 -0.43 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1nkt h GLU 781 Cb 0.97 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1nkt h GLU 781 CO -0.52 1.06 0.21 1.25 -1.00 0.00 0.00 179.01 180.01 1nkt h HIS 782 N 0.52 0.38 -0.50 4.33 2.76 -0.79 -2.33 115.15 119.53 1nkt h HIS 782 Ca 0.04 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1nkt h HIS 782 Cb 0.95 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.75 1nkt h HIS 782 CO 0.07 0.16 0.14 -0.07 -1.30 0.00 0.00 177.93 176.94 1nkt h LEU 783 N 0.42 0.09 -0.80 0.26 3.38 -0.38 0.27 115.31 118.55 1nkt h LEU 783 Ca 0.22 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.35 1nkt h LEU 783 Cb 0.18 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1nkt h LEU 783 CO -0.19 0.08 0.46 0.22 0.09 0.00 0.00 178.44 179.10 1nkt h TYR 784 N 0.30 0.83 -0.20 1.13 3.20 -1.28 -0.44 116.97 120.51 1nkt h TYR 784 Ca 0.25 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.98 1nkt h TYR 784 Cb 0.30 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1nkt h TYR 784 CO -0.19 0.36 -0.55 0.93 -1.64 0.00 0.00 178.16 177.06 1nkt h GLU 785 N 0.78 0.59 0.00 1.82 4.39 -0.48 -3.07 114.58 118.61 1nkt h GLU 785 Ca 0.38 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1nkt h GLU 785 Cb 0.32 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1nkt h GLU 785 CO -0.23 0.98 -0.32 0.52 -1.16 0.00 0.00 179.01 178.80 1nkt h MET 786 N 0.45 0.00 -0.43 2.33 2.86 0.13 -2.65 114.93 117.62 1nkt h MET 786 Ca 0.01 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1nkt h MET 786 Cb 1.10 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 1nkt h MET 786 CO 0.11 0.32 0.20 -0.44 1.06 0.00 0.00 176.91 178.16 1nkt h ASP 787 N 0.00 0.28 0.45 1.22 5.19 -1.00 -2.19 116.42 120.37 1nkt h ASP 787 Ca -0.00 0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.28 1nkt h ASP 787 Cb 0.66 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1nkt h ASP 787 CO 0.04 0.21 -0.68 1.88 -3.12 0.00 0.00 179.24 177.57 1nkt h TYR 788 N 0.41 0.27 -0.29 4.55 0.05 -1.55 -3.11 116.97 117.30 1nkt h TYR 788 Ca 0.19 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 1nkt h TYR 788 Cb 0.11 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1nkt h TYR 788 CO -0.11 0.82 -0.16 1.25 -1.05 0.00 0.00 178.16 178.91 1nkt h LEU 789 N 0.14 0.64 0.35 3.88 5.85 -1.18 -2.14 115.31 122.85 1nkt h LEU 789 Ca -0.02 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1nkt h LEU 789 Cb 1.21 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1nkt h LEU 789 CO 0.10 0.92 -0.43 0.50 -0.34 0.00 0.00 178.44 179.19 1nkt h LYS 790 N 0.37 -0.77 -0.88 1.25 3.64 -1.40 -2.27 116.57 116.51 1nkt h LYS 790 Ca 0.06 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1nkt h LYS 790 Cb 0.69 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.57 1nkt h LYS 790 CO 0.05 -0.51 -0.54 0.93 -2.27 0.00 0.00 179.45 177.10 1nkt h GLU 791 N -0.80 -0.03 0.00 1.90 4.39 -1.56 -2.88 114.58 115.60 1nkt h GLU 791 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1nkt h GLU 791 Cb 0.71 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1nkt h GLU 791 CO -0.09 -0.02 0.00 0.78 -1.16 0.00 0.00 179.01 178.52 1nkt h GLY 792 N -0.03 0.00 1.16 -3.84 0.00 -1.27 -3.29 103.07 95.80 1nkt h GLY 792 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 1nkt h GLY 792 CO -0.84 0.00 -0.18 1.19 0.00 0.00 0.00 176.54 176.71 1nkt h ILE 793 N 0.00 1.27 -0.94 2.60 6.09 -1.17 -2.03 117.51 123.32 1nkt h ILE 793 Ca 0.00 -1.34 0.26 0.00 -1.37 0.00 0.00 64.86 62.41 1nkt h ILE 793 Cb 0.74 1.09 -0.17 0.00 0.47 0.00 0.00 36.82 38.95 1nkt h ILE 793 CO 0.00 0.46 0.08 1.23 -3.07 0.00 0.00 178.15 176.85 1nkt h GLY 794 N 0.91 1.26 -1.87 8.18 0.00 -1.70 0.39 103.07 110.23 1nkt h GLY 794 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1nkt h GLY 794 CO 0.06 -0.48 0.00 -0.10 0.00 0.00 0.00 176.54 176.02 1nkt n LEU 795 N -5.43 1.27 0.00 3.11 7.94 -0.76 -2.37 117.00 120.77 1nkt n LEU 795 Ca 0.22 -0.64 0.00 0.00 -1.11 0.00 0.00 56.01 54.49 1nkt n LEU 795 Cb 0.74 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1nkt n LEU 795 CO -0.03 0.22 -0.30 0.54 -1.11 0.00 0.00 177.39 176.71 1nkt n ARG 796 N 0.71 2.39 -0.43 1.96 3.00 0.14 -5.08 116.66 119.34 1nkt n ARG 796 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.67 1nkt n ARG 796 Cb 0.22 -0.80 -0.02 0.00 0.00 0.00 0.00 32.46 31.85 1nkt n ARG 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nkt n ALA 797 N -1.28 -0.72 -3.10 7.54 0.00 -1.00 -4.97 120.51 116.98 1nkt n ALA 797 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1nkt n ALA 797 Cb 0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 1nkt n ALA 797 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkt s MET 798 N 0.49 1.23 -1.56 0.00 0.23 -1.22 -5.03 119.30 113.43 1nkt s MET 798 Ca 0.26 -0.86 -0.11 0.00 -1.03 0.00 0.00 55.69 53.95 1nkt s MET 798 Cb -0.37 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1nkt s MET 798 CO 0.19 -0.50 2.70 0.00 -2.03 0.00 0.00 175.02 175.38 1nkt n ALA 799 N -0.28 6.89 -0.13 3.16 0.00 -1.26 -2.50 120.51 126.38 1nkt n ALA 799 Ca -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1nkt n ALA 799 Cb 0.63 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1nkt n ALA 799 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1nkt n GLN 800 N 4.33 0.00 -3.74 0.00 7.27 -1.26 -5.14 117.38 118.84 1nkt n GLN 800 Ca 0.69 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.64 1nkt n GLN 800 Cb 0.28 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.81 1nkt n GLN 800 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1nkt s ARG 801 N 0.00 0.29 -0.19 3.69 3.52 -1.04 -5.14 118.95 120.08 1nkt s ARG 801 Ca 0.00 0.53 -0.18 0.00 -0.13 0.00 0.00 55.73 55.95 1nkt s ARG 801 Cb 0.00 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 1nkt s ARG 801 CO 0.00 -0.11 0.49 0.34 -0.81 0.00 0.00 175.30 175.21 1nkt s ASP 802 N 0.86 6.55 0.35 -2.12 2.15 -1.26 -3.42 116.67 119.78 1nkt s ASP 802 Ca -0.06 0.66 0.09 0.00 0.43 0.00 0.00 52.55 53.67 1nkt s ASP 802 Cb -0.07 -2.28 0.63 0.00 -0.30 0.00 0.00 42.92 40.91 1nkt s ASP 802 CO -0.06 -0.14 1.81 -0.65 -0.17 0.00 0.00 175.17 175.96 1nkt h PRO 803 N 7.36 0.19 -0.43 4.34 0.11 -1.92 -3.08 132.00 138.57 1nkt h PRO 803 Ca -0.35 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 1nkt h PRO 803 Cb 1.16 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1nkt h PRO 803 CO 0.74 0.47 -0.02 1.25 -0.21 0.00 0.00 178.00 180.23 1nkt h LEU 804 N 0.17 0.75 -0.39 2.35 5.85 -1.96 -1.89 115.31 120.20 1nkt h LEU 804 Ca 0.03 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.51 1nkt h LEU 804 Cb 0.61 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1nkt h LEU 804 CO 0.04 0.89 -0.13 0.58 -0.34 0.00 0.00 178.44 179.48 1nkt h VAL 805 N 0.60 0.54 -0.21 1.05 2.07 -1.97 -1.36 116.25 116.97 1nkt h VAL 805 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1nkt h VAL 805 Cb 0.52 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1nkt h VAL 805 CO 0.03 0.00 -0.08 -0.08 0.02 0.00 0.00 177.57 177.46 1nkt h GLU 806 N -0.05 0.33 -0.15 1.57 4.57 -1.44 -1.21 114.58 118.19 1nkt h GLU 806 Ca 0.19 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.09 1nkt h GLU 806 Cb 0.34 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1nkt h GLU 806 CO -0.43 0.42 -0.73 -0.92 -1.18 0.00 0.00 179.01 176.17 1nkt h TYR 807 N 0.32 1.02 0.35 0.92 3.20 -0.91 -2.48 116.97 119.39 1nkt h TYR 807 Ca 0.07 -0.45 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 1nkt h TYR 807 Cb 0.34 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1nkt h TYR 807 CO 0.01 1.27 -0.24 1.96 -1.64 0.00 0.00 178.16 179.52 1nkt h GLN 808 N 0.48 -0.57 -0.45 1.82 4.20 -0.82 0.22 115.11 119.99 1nkt h GLN 808 Ca -0.05 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.76 1nkt h GLN 808 Cb 1.36 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 29.22 1nkt h GLN 808 CO 0.15 -0.38 0.16 0.00 -0.67 0.00 0.00 178.83 178.09 1nkt h ARG 809 N -0.59 0.32 -0.08 1.46 3.08 -1.24 0.40 114.38 117.74 1nkt h ARG 809 Ca -0.03 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 1nkt h ARG 809 Cb 0.50 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nkt h ARG 809 CO 0.02 0.21 -0.79 0.93 -1.07 0.00 0.00 179.97 179.27 1nkt h GLU 810 N 0.33 0.51 -0.19 0.04 5.08 -1.44 -1.40 114.58 117.51 1nkt h GLU 810 Ca 0.21 -0.44 -0.17 0.00 -1.00 0.00 0.00 59.36 57.96 1nkt h GLU 810 Cb 0.20 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1nkt h GLU 810 CO -0.21 1.08 -0.57 0.78 -1.00 0.00 0.00 179.01 179.08 1nkt h GLY 811 N 1.07 0.66 1.44 -3.84 0.00 -0.18 -1.02 103.07 101.20 1nkt h GLY 811 Ca -0.05 -0.79 -0.21 0.00 0.00 0.00 0.00 47.33 46.28 1nkt h GLY 811 CO 0.14 0.71 -0.83 -0.97 0.00 0.00 0.00 176.54 175.59 1nkt h TYR 812 N 0.46 0.74 -0.25 5.60 0.05 -0.23 -2.63 116.97 120.72 1nkt h TYR 812 Ca 0.00 -0.36 0.04 0.00 0.05 0.00 0.00 58.73 58.46 1nkt h TYR 812 Cb 1.13 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 1nkt h TYR 812 CO 0.05 1.16 0.03 -0.44 -1.05 0.00 0.00 178.16 177.91 1nkt h ASP 813 N 0.34 -0.02 -0.94 3.88 3.32 -1.18 -1.35 116.42 120.48 1nkt h ASP 813 Ca -0.06 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.12 1nkt h ASP 813 Cb 1.44 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 1nkt h ASP 813 CO 0.15 0.02 0.61 0.24 -1.72 0.00 0.00 179.24 178.54 1nkt h MET 814 N 0.12 0.99 -0.32 3.56 2.86 -1.20 -1.48 114.93 119.46 1nkt h MET 814 Ca 0.11 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1nkt h MET 814 Cb 0.12 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1nkt h MET 814 CO -0.16 0.66 -0.24 0.35 1.06 0.00 0.00 176.91 178.57 1nkt h PHE 815 N 1.02 0.87 -0.43 -0.22 3.57 -0.99 -0.73 116.94 120.03 1nkt h PHE 815 Ca 0.42 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1nkt h PHE 815 Cb 0.29 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1nkt h PHE 815 CO -0.00 0.98 0.04 0.52 -2.23 0.00 0.00 178.31 177.62 1nkt h MET 816 N 0.50 0.74 -0.82 1.11 2.86 -0.85 -1.17 114.93 117.29 1nkt h MET 816 Ca 0.06 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1nkt h MET 816 Cb 0.80 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 1nkt h MET 816 CO 0.06 0.79 0.54 0.00 1.06 0.00 0.00 176.91 179.37 1nkt h ALA 817 N 0.92 1.05 -0.88 6.32 0.00 -1.20 -0.70 119.26 124.78 1nkt h ALA 817 Ca 0.13 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nkt h ALA 817 Cb 0.43 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1nkt h ALA 817 CO 0.02 0.44 0.56 1.98 0.00 0.00 0.00 179.25 182.25 1nkt h MET 818 N 1.11 1.05 -0.23 0.00 -1.53 -0.88 -1.43 114.93 113.01 1nkt h MET 818 Ca 0.30 -0.06 -0.07 0.00 -3.44 0.00 0.00 59.70 56.43 1nkt h MET 818 Cb -0.11 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.69 1nkt h MET 818 CO -0.07 0.70 -0.12 -0.07 0.14 0.00 0.00 176.91 177.48 1nkt h LEU 819 N 1.08 0.51 -0.44 3.39 3.38 -0.08 -0.81 115.31 122.34 1nkt h LEU 819 Ca 0.35 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1nkt h LEU 819 Cb 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1nkt h LEU 819 CO -0.13 0.82 0.18 0.44 0.09 0.00 0.00 178.44 179.84 1nkt h ASP 820 N 0.21 0.22 0.29 -0.43 3.32 -0.99 -0.06 116.42 118.99 1nkt h ASP 820 Ca 0.05 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1nkt h ASP 820 Cb 0.63 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1nkt h ASP 820 CO 0.04 0.17 -0.24 1.23 -1.72 0.00 0.00 179.24 178.71 1nkt h GLY 821 N 0.37 0.00 1.06 2.75 0.00 -1.06 -1.95 103.07 104.24 1nkt h GLY 821 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 1nkt h GLY 821 CO -0.18 0.00 0.14 1.98 0.00 0.00 0.00 176.54 178.48 1nkt h MET 822 N 0.00 1.10 0.11 4.80 -1.53 0.46 -2.10 114.93 117.77 1nkt h MET 822 Ca -0.00 -0.28 -0.01 0.00 -3.44 0.00 0.00 59.70 55.97 1nkt h MET 822 Cb 0.45 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.36 1nkt h MET 822 CO 0.03 0.99 -0.05 0.87 0.14 0.00 0.00 176.91 178.89 1nkt h LYS 823 N 1.03 -0.14 0.00 0.39 1.57 -0.52 -1.83 116.57 117.06 1nkt h LYS 823 Ca 0.21 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 1nkt h LYS 823 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1nkt h LYS 823 CO 0.01 0.02 -0.81 1.49 -0.57 0.00 0.00 179.45 179.58 1nkt h GLU 824 N -0.28 0.00 -0.24 3.15 4.81 -1.37 -1.51 114.58 119.14 1nkt h GLU 824 Ca -0.02 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1nkt h GLU 824 Cb 0.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1nkt h GLU 824 CO 0.03 0.76 -0.45 0.93 -0.73 0.00 0.00 179.01 179.54 1nkt h GLU 825 N 0.00 0.62 -0.01 1.92 5.08 -1.44 -2.36 114.58 118.40 1nkt h GLU 825 Ca -0.02 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1nkt h GLU 825 Cb 1.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1nkt h GLU 825 CO 0.10 0.94 -0.04 0.77 -1.00 0.00 0.00 179.01 179.78 1nkt h SER 826 N 0.50 -0.12 -0.36 1.42 0.02 -0.81 -1.23 113.55 112.96 1nkt h SER 826 Ca 0.03 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1nkt h SER 826 Cb 0.98 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1nkt h SER 826 CO 0.09 -0.06 0.05 -0.37 -1.14 0.00 0.00 176.83 175.40 1nkt h VAL 827 N -0.07 1.22 0.38 2.27 -1.51 -1.30 0.10 116.25 117.34 1nkt h VAL 827 Ca 0.02 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 1nkt h VAL 827 Cb 0.10 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.07 1nkt h VAL 827 CO -0.05 0.30 -0.31 1.23 -1.23 0.00 0.00 177.57 177.51 1nkt h GLY 828 N 0.92 -1.01 0.54 5.19 0.00 -1.18 -2.48 103.07 105.05 1nkt h GLY 828 Ca 0.14 0.44 0.10 0.00 0.00 0.00 0.00 47.33 48.01 1nkt h GLY 828 CO 0.01 -0.33 0.53 0.74 0.00 0.00 0.00 176.54 177.49 1nkt h PHE 829 N -0.67 0.97 -0.95 5.60 0.04 -1.16 -1.51 116.94 119.25 1nkt h PHE 829 Ca -0.05 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.91 1nkt h PHE 829 Cb 0.57 -0.30 -0.08 0.00 2.20 0.00 0.00 35.95 38.33 1nkt h PHE 829 CO -0.12 0.41 0.60 -0.07 -0.60 0.00 0.00 178.31 178.54 1nkt h LEU 830 N 0.89 0.74 0.13 1.54 3.38 -0.69 0.04 115.31 121.33 1nkt h LEU 830 Ca 0.42 0.06 -0.30 0.00 0.09 0.00 0.00 57.88 58.15 1nkt h LEU 830 Cb 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nkt h LEU 830 CO -0.24 0.34 -1.49 -0.26 0.09 0.00 0.00 178.44 176.88 1nkt h PHE 831 N 0.77 0.50 0.00 1.13 0.04 -0.86 -3.42 116.94 115.10 1nkt h PHE 831 Ca 0.50 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1nkt h PHE 831 Cb 0.75 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1nkt h PHE 831 CO -0.00 1.39 0.00 0.09 -0.60 0.00 0.00 178.31 179.19 1nkt n ASN 832 N -3.49 0.32 -4.77 2.17 3.02 -0.65 -4.98 115.26 106.88 1nkt n ASN 832 Ca -0.16 -0.65 -0.40 0.00 -0.03 0.00 0.00 54.58 53.35 1nkt n ASN 832 Cb 1.05 0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 40.80 1nkt n ASN 832 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nkt s VAL 833 N -0.59 2.53 0.30 2.41 0.11 -0.06 -3.83 120.40 121.26 1nkt s VAL 833 Ca 0.00 0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 59.26 1nkt s VAL 833 Cb 0.00 -3.31 -0.10 0.00 -1.53 0.00 0.00 36.38 31.44 1nkt s VAL 833 CO 0.00 0.10 1.28 -0.89 -3.33 0.00 0.00 175.10 172.26 1nkt s THR 834 N -1.19 2.92 -1.87 5.04 2.01 -0.47 -4.97 115.64 117.12 1nkt s THR 834 Ca 0.54 0.89 0.15 0.00 0.31 0.00 0.00 61.69 63.57 1nkt s THR 834 Cb -0.40 -3.57 0.12 0.00 0.01 0.00 0.00 72.50 68.66 1nkt s THR 834 CO 0.53 0.19 0.97 0.52 -0.69 0.00 0.00 174.62 176.15