#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nl3 s SER -14 N 0.00 2.76 1.09 -2.24 0.01 -1.26 -4.92 113.70 109.13 1nl3 s SER -14 Ca 0.00 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 1nl3 s SER -14 Cb 0.00 -0.30 0.23 0.00 0.21 0.00 0.00 66.02 66.17 1nl3 s SER -14 CO 0.00 0.28 1.13 -2.16 0.41 0.00 0.00 173.24 172.90 1nl3 s PRO -13 N -0.66 -0.31 0.00 12.44 0.04 -1.26 -4.25 135.00 141.00 1nl3 s PRO -13 Ca 0.09 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1nl3 s PRO -13 Cb -0.09 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1nl3 s PRO -13 CO -0.00 -3.14 0.00 -3.47 0.04 0.00 0.00 177.00 170.43 1nl3 n ASP -12 N -4.38 0.00 -4.71 6.66 2.03 -1.26 -4.66 116.55 110.23 1nl3 n ASP -12 Ca 0.10 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 1nl3 n ASP -12 Cb 0.59 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 1nl3 n ASP -12 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1nl3 s LEU -11 N -0.15 4.38 0.00 -2.67 1.43 -1.26 -2.14 118.68 118.27 1nl3 s LEU -11 Ca 0.00 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1nl3 s LEU -11 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1nl3 s LEU -11 CO 0.00 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.24 1nl3 n GLY -10 N 4.02 0.50 3.42 -3.19 0.00 -1.26 -5.02 105.19 103.66 1nl3 n GLY -10 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1nl3 n GLY -10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nl3 s THR -9 N -2.01 3.48 -0.02 2.61 2.01 -0.91 -5.04 115.64 115.76 1nl3 s THR -9 Ca 0.00 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 1nl3 s THR -9 Cb 0.00 -2.51 -0.12 0.00 0.01 0.00 0.00 72.50 69.88 1nl3 s THR -9 CO 0.00 0.49 0.82 0.25 -0.69 0.00 0.00 174.62 175.50 1nl3 h LEU -8 N 6.93 -0.49 -9.38 4.42 5.85 -1.95 -3.44 115.31 117.25 1nl3 h LEU -8 Ca -0.31 -0.05 -0.55 0.00 0.84 0.00 0.00 57.88 57.82 1nl3 h LEU -8 Cb 1.19 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1nl3 h LEU -8 CO 0.60 -0.06 0.31 -0.69 -0.34 0.00 0.00 178.44 178.26 1nl3 s VAL -7 N -3.77 4.91 -0.22 1.05 1.01 -1.26 -4.83 120.40 117.28 1nl3 s VAL -7 Ca -0.11 1.89 -0.33 0.00 0.00 0.00 0.00 61.98 63.43 1nl3 s VAL -7 Cb 0.01 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1nl3 s VAL -7 CO 0.34 0.17 2.08 -0.81 0.00 0.00 0.00 175.10 176.88 1nl3 n PRO -6 N 3.99 1.68 0.00 2.72 -0.04 -1.26 -4.95 135.00 137.14 1nl3 n PRO -6 Ca 0.04 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1nl3 n PRO -6 Cb 0.51 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1nl3 n PRO -6 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1nl3 n ARG -5 N 7.72 2.40 0.00 0.54 3.00 -1.26 -4.56 116.66 124.50 1nl3 n ARG -5 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 1nl3 n ARG -5 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.76 1nl3 n ARG -5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nl3 n GLY -4 N 2.91 -1.50 0.36 -0.13 0.00 -1.26 -1.92 105.19 103.64 1nl3 n GLY -4 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1nl3 n GLY -4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nl3 h SER -3 N 0.00 0.45 0.91 1.61 0.02 -1.91 -2.05 113.55 112.58 1nl3 h SER -3 Ca 0.00 0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.74 1nl3 h SER -3 Cb 0.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1nl3 h SER -3 CO 0.00 0.27 -1.13 -0.03 -1.14 0.00 0.00 176.83 174.80 1nl3 h MET -2 N 0.50 0.00 -0.32 3.45 1.85 -1.77 -3.11 114.93 115.54 1nl3 h MET -2 Ca 0.31 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.33 1nl3 h MET -2 Cb 0.52 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.54 1nl3 h MET -2 CO -0.10 0.88 -0.07 0.00 -0.40 0.00 0.00 176.91 177.22 1nl3 h ALA -1 N 1.02 1.28 0.14 0.39 0.00 -0.69 -2.59 119.26 118.82 1nl3 h ALA -1 Ca -0.07 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1nl3 h ALA -1 Cb 1.81 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1nl3 h ALA -1 CO 0.12 0.48 -0.43 -0.44 0.00 0.00 0.00 179.25 178.97 1nl3 h ASP 0 N 0.49 -1.26 -0.94 0.00 5.19 -1.45 0.28 116.42 118.72 1nl3 h ASP 0 Ca 0.10 0.14 0.11 0.00 -0.62 0.00 0.00 57.03 56.75 1nl3 h ASP 0 Cb 0.43 0.47 -0.08 0.00 0.18 0.00 0.00 39.33 40.33 1nl3 h ASP 0 CO 0.02 -0.50 0.58 0.40 -3.12 0.00 0.00 179.24 176.62 1nl3 h ILE 1 N -0.68 0.93 -0.25 0.35 2.04 -1.45 0.13 117.51 118.59 1nl3 h ILE 1 Ca 0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1nl3 h ILE 1 Cb 0.70 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1nl3 h ILE 1 CO -0.23 0.17 -0.40 -0.07 0.00 0.00 0.00 178.15 177.62 1nl3 h LEU 2 N 0.94 0.63 -0.18 1.44 3.38 -1.17 -0.41 115.31 119.93 1nl3 h LEU 2 Ca 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1nl3 h LEU 2 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1nl3 h LEU 2 CO -0.25 0.96 -0.00 0.28 0.09 0.00 0.00 178.44 179.51 1nl3 h SER 3 N 0.49 0.31 0.68 -0.43 0.02 0.64 -2.72 113.55 112.54 1nl3 h SER 3 Ca 0.04 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1nl3 h SER 3 Cb 0.91 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.37 1nl3 h SER 3 CO 0.08 0.55 -0.33 0.11 -1.14 0.00 0.00 176.83 176.10 1nl3 h LYS 4 N 0.06 -0.89 0.00 3.45 6.56 -0.73 -2.56 116.57 122.47 1nl3 h LYS 4 Ca 0.05 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1nl3 h LYS 4 Cb 0.39 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1nl3 h LYS 4 CO 0.01 -0.56 0.37 1.28 -2.06 0.00 0.00 179.45 178.49 1nl3 n LEU 5 N -5.43 0.21 0.10 2.94 4.77 -0.17 -2.19 117.00 117.23 1nl3 n LEU 5 Ca -0.13 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1nl3 n LEU 5 Cb 0.38 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1nl3 n LEU 5 CO 0.34 -0.50 0.64 0.25 -1.33 0.00 0.00 177.39 176.79 1nl3 h LEU 6 N 0.00 -0.20 0.00 2.23 5.85 -1.12 -2.80 115.31 119.27 1nl3 h LEU 6 Ca 0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1nl3 h LEU 6 Cb 0.74 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1nl3 h LEU 6 CO 0.00 0.12 0.00 0.54 -0.34 0.00 0.00 178.44 178.76 1nl3 n ARG 7 N -5.06 0.03 -0.31 1.25 5.12 -0.93 -1.16 116.66 115.60 1nl3 n ARG 7 Ca -0.09 0.13 0.08 0.00 -1.93 0.00 0.00 57.85 56.04 1nl3 n ARG 7 Cb 0.22 -1.50 0.21 0.00 -1.16 0.00 0.00 32.46 30.23 1nl3 n ARG 7 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1nl3 n LEU 8 N -1.13 3.35 -3.89 0.55 4.77 -1.06 -5.01 117.00 114.58 1nl3 n LEU 8 Ca 0.01 -2.85 -0.26 0.00 -0.03 0.00 0.00 56.01 52.87 1nl3 n LEU 8 Cb 0.01 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1nl3 n LEU 8 CO 0.01 0.68 -0.31 0.61 -1.33 0.00 0.00 177.39 177.05 1nl3 n GLY 9 N -0.57 -0.21 0.04 -0.72 0.00 -0.31 -4.82 105.19 98.59 1nl3 n GLY 9 Ca 0.18 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1nl3 n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nl3 n GLU 10 N -3.77 0.18 -1.83 1.61 -0.58 -1.25 -4.98 120.64 110.03 1nl3 n GLU 10 Ca -0.21 0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.50 1nl3 n GLU 10 Cb 0.50 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1nl3 n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nl3 n GLY 11 N 1.40 0.39 0.18 0.62 0.00 -1.26 -4.93 105.19 101.59 1nl3 n GLY 11 Ca 0.04 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1nl3 n GLY 11 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nl3 h ARG 12 N 0.00 0.63 -0.29 1.61 2.47 -1.93 -2.99 114.38 113.87 1nl3 h ARG 12 Ca -0.19 -0.78 -0.03 0.00 -1.26 0.00 0.00 59.98 57.72 1nl3 h ARG 12 Cb 0.93 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1nl3 h ARG 12 CO 0.25 1.35 0.08 1.98 0.56 0.00 0.00 179.97 184.19 1nl3 h MET 13 N 0.30 0.46 -0.98 0.04 4.05 -1.92 -2.68 114.93 114.20 1nl3 h MET 13 Ca -0.17 -0.10 0.19 0.00 -0.28 0.00 0.00 59.70 59.34 1nl3 h MET 13 Cb 1.85 -0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 32.49 1nl3 h MET 13 CO 0.23 0.53 0.61 0.28 0.23 0.00 0.00 176.91 178.79 1nl3 h VAL 14 N 0.31 0.70 -0.33 -5.77 2.07 -1.93 0.72 116.25 112.02 1nl3 h VAL 14 Ca 0.09 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1nl3 h VAL 14 Cb 0.26 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1nl3 h VAL 14 CO -0.00 0.12 0.18 0.11 0.02 0.00 0.00 177.57 178.00 1nl3 h LYS 15 N 0.67 0.46 -0.79 1.57 1.57 -1.33 -1.08 116.57 117.63 1nl3 h LYS 15 Ca 0.55 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.23 1nl3 h LYS 15 Cb 0.98 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1nl3 h LYS 15 CO -0.32 0.38 0.30 -0.09 -0.57 0.00 0.00 179.45 179.15 1nl3 h ARG 16 N 0.41 1.20 -0.22 3.15 9.65 -0.64 -1.92 114.38 126.01 1nl3 h ARG 16 Ca 0.12 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1nl3 h ARG 16 Cb 0.05 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1nl3 h ARG 16 CO -0.02 0.98 -0.06 -0.07 2.80 0.00 0.00 179.97 183.59 1nl3 h LEU 17 N 1.16 0.43 -0.71 3.80 3.38 -0.85 -0.77 115.31 121.74 1nl3 h LEU 17 Ca 0.26 -0.38 0.15 0.00 0.09 0.00 0.00 57.88 58.00 1nl3 h LEU 17 Cb 0.24 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1nl3 h LEU 17 CO -0.02 0.71 0.20 0.50 0.09 0.00 0.00 178.44 179.92 1nl3 h LYS 18 N 0.15 0.30 -0.85 1.13 1.63 -1.10 0.18 116.57 118.02 1nl3 h LYS 18 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1nl3 h LYS 18 Cb 0.53 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1nl3 h LYS 18 CO 0.02 0.20 0.49 -0.22 -3.45 0.00 0.00 179.45 176.50 1nl3 h LYS 19 N 0.31 1.16 -0.42 1.90 3.64 -0.80 -0.45 116.57 121.92 1nl3 h LYS 19 Ca 0.39 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1nl3 h LYS 19 Cb 0.64 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1nl3 h LYS 19 CO -0.46 0.83 0.07 0.28 -2.27 0.00 0.00 179.45 177.89 1nl3 h VAL 20 N 1.17 1.24 0.33 2.00 2.07 0.10 -2.61 116.25 120.55 1nl3 h VAL 20 Ca 0.30 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1nl3 h VAL 20 Cb -0.02 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nl3 h VAL 20 CO -0.05 0.31 -0.16 0.00 0.02 0.00 0.00 177.57 177.68 1nl3 h ALA 21 N 0.93 -0.44 -0.31 1.67 0.00 -0.40 -2.47 119.26 118.24 1nl3 h ALA 21 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1nl3 h ALA 21 Cb 0.38 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1nl3 h ALA 21 CO 0.01 -0.74 -0.19 -0.44 0.00 0.00 0.00 179.25 177.90 1nl3 h ASP 22 N -0.46 -0.62 -0.93 0.00 3.32 -1.01 -0.10 116.42 116.63 1nl3 h ASP 22 Ca -0.04 0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.23 1nl3 h ASP 22 Cb 0.35 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 1nl3 h ASP 22 CO 0.07 -0.22 0.60 0.22 -1.72 0.00 0.00 179.24 178.19 1nl3 h TYR 23 N -0.15 1.02 -0.38 4.55 3.20 -1.39 0.13 116.97 123.95 1nl3 h TYR 23 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1nl3 h TYR 23 Cb 0.40 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1nl3 h TYR 23 CO -0.38 0.47 0.19 0.28 -1.64 0.00 0.00 178.16 177.08 1nl3 h VAL 24 N 0.95 1.13 -0.34 1.81 2.07 -0.56 -2.11 116.25 119.19 1nl3 h VAL 24 Ca 0.43 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 1nl3 h VAL 24 Cb 0.38 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1nl3 h VAL 24 CO -0.19 0.15 -0.30 1.23 0.02 0.00 0.00 177.57 178.48 1nl3 h GLY 25 N 0.63 0.79 1.66 2.17 0.00 0.06 -0.41 103.07 107.97 1nl3 h GLY 25 Ca 0.14 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1nl3 h GLY 25 CO -0.02 0.66 0.00 -1.30 0.00 0.00 0.00 176.54 175.88 1nl3 n THR 26 N -4.08 1.00 0.94 4.70 -2.24 -0.80 -2.44 114.28 111.35 1nl3 n THR 26 Ca -0.01 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1nl3 n THR 26 Cb 0.47 -1.13 0.07 0.00 -2.10 0.00 0.00 70.33 67.64 1nl3 n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nl3 n LEU 27 N -1.33 2.62 0.16 3.22 4.77 -0.16 -4.53 117.00 121.75 1nl3 n LEU 27 Ca 0.03 -0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 54.94 1nl3 n LEU 27 Cb 0.06 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1nl3 n LEU 27 CO 0.06 0.45 0.73 -1.28 -1.33 0.00 0.00 177.39 176.02 1nl3 h SER 28 N 3.84 -0.30 -0.92 -1.43 0.87 -1.54 -3.16 113.55 110.92 1nl3 h SER 28 Ca 0.00 -0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.63 1nl3 h SER 28 Cb 0.88 0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.78 1nl3 h SER 28 CO 0.00 -0.14 -0.41 0.47 -0.53 0.00 0.00 176.83 176.22 1nl3 n ASP 29 N -5.20 -0.71 -0.35 6.23 9.92 -1.26 0.48 116.55 125.65 1nl3 n ASP 29 Ca -0.10 1.62 0.00 0.00 -0.53 0.00 0.00 54.79 55.79 1nl3 n ASP 29 Cb 0.19 -0.33 0.16 0.00 -0.64 0.00 0.00 41.12 40.50 1nl3 n ASP 29 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1nl3 h ASP 30 N 0.00 1.06 0.86 -2.24 3.32 -1.86 -2.57 116.42 115.00 1nl3 h ASP 30 Ca 0.27 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 57.08 1nl3 h ASP 30 Cb 0.50 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1nl3 h ASP 30 CO -0.90 0.73 -1.19 -0.37 -1.72 0.00 0.00 179.24 175.79 1nl3 h VAL 31 N 1.23 1.44 -0.88 -1.35 -1.51 -0.91 -3.23 116.25 111.05 1nl3 h VAL 31 Ca 0.38 -3.19 0.10 0.00 -1.23 0.00 0.00 66.70 62.76 1nl3 h VAL 31 Cb -0.02 2.71 -0.06 0.00 -2.13 0.00 0.00 31.29 31.79 1nl3 h VAL 31 CO -0.11 0.82 0.57 -0.33 -1.23 0.00 0.00 177.57 177.29 1nl3 h GLU 32 N 0.00 0.83 0.00 5.19 5.08 0.35 -2.12 114.58 123.90 1nl3 h GLU 32 Ca -0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1nl3 h GLU 32 Cb 1.83 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1nl3 h GLU 32 CO 0.11 0.55 0.00 1.63 -1.00 0.00 0.00 179.01 180.30 1nl3 n LYS 33 N -4.53 0.05 -3.17 2.33 5.02 -1.00 -4.85 118.16 112.01 1nl3 n LYS 33 Ca 0.15 0.22 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 1nl3 n LYS 33 Cb 0.32 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1nl3 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nl3 s LEU 34 N -2.89 4.06 1.04 -0.35 1.43 -0.80 -5.08 118.68 116.09 1nl3 s LEU 34 Ca 0.09 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1nl3 s LEU 34 Cb 0.10 -3.95 0.22 0.00 0.03 0.00 0.00 46.19 42.58 1nl3 s LEU 34 CO 0.26 -0.20 1.09 -0.89 0.23 0.00 0.00 176.35 176.83 1nl3 s THR 35 N -2.00 2.03 0.17 5.49 2.01 -1.26 -4.82 115.64 117.26 1nl3 s THR 35 Ca 0.52 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.41 1nl3 s THR 35 Cb -0.10 -2.03 0.07 0.00 0.01 0.00 0.00 72.50 70.44 1nl3 s THR 35 CO 0.21 -0.01 1.71 0.44 -0.69 0.00 0.00 174.62 176.27 1nl3 h ASP 36 N -2.27 0.83 -0.80 3.53 3.32 -1.98 -0.33 116.42 118.72 1nl3 h ASP 36 Ca -0.52 -0.19 0.13 0.00 0.02 0.00 0.00 57.03 56.46 1nl3 h ASP 36 Cb 1.30 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1nl3 h ASP 36 CO 0.45 0.80 0.40 0.00 -1.72 0.00 0.00 179.24 179.17 1nl3 h ALA 37 N 1.06 1.15 -0.03 3.45 0.00 -1.98 0.87 119.26 123.78 1nl3 h ALA 37 Ca 0.19 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1nl3 h ALA 37 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nl3 h ALA 37 CO -0.01 -0.07 -0.60 0.93 0.00 0.00 0.00 179.25 179.50 1nl3 h GLU 38 N 0.61 0.11 0.05 0.00 5.08 -1.84 -2.34 114.58 116.25 1nl3 h GLU 38 Ca 0.42 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nl3 h GLU 38 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nl3 h GLU 38 CO -0.33 0.68 -0.02 1.25 -1.00 0.00 0.00 179.01 179.58 1nl3 h LEU 39 N 0.08 -0.05 -1.41 1.33 5.85 -0.24 -2.84 115.31 118.03 1nl3 h LEU 39 Ca -0.01 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.33 1nl3 h LEU 39 Cb 1.08 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1nl3 h LEU 39 CO 0.08 0.47 0.49 -0.09 -0.34 0.00 0.00 178.44 179.05 1nl3 h ARG 40 N -0.60 0.65 0.00 1.25 2.43 -0.85 -0.48 114.38 116.80 1nl3 h ARG 40 Ca -0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1nl3 h ARG 40 Cb 0.53 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1nl3 h ARG 40 CO 0.01 0.43 -0.22 0.00 -1.51 0.00 0.00 179.97 178.68 1nl3 h ALA 41 N 1.62 1.18 -0.99 2.80 0.00 -1.42 -2.48 119.26 119.97 1nl3 h ALA 41 Ca 0.34 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1nl3 h ALA 41 Cb 0.45 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1nl3 h ALA 41 CO -0.12 0.28 0.62 0.87 0.00 0.00 0.00 179.25 180.89 1nl3 h LYS 42 N 0.00 0.80 -0.94 0.00 1.79 -0.82 0.16 116.57 117.55 1nl3 h LYS 42 Ca -0.00 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.55 1nl3 h LYS 42 Cb 0.58 -0.18 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 1nl3 h LYS 42 CO 0.03 0.53 0.56 1.15 -1.08 0.00 0.00 179.45 180.64 1nl3 h THR 43 N 0.82 0.85 0.00 -0.16 2.02 -1.56 0.20 112.91 115.09 1nl3 h THR 43 Ca 0.53 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 67.23 1nl3 h THR 43 Cb 0.74 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1nl3 h THR 43 CO -0.30 0.16 -0.85 0.44 0.37 0.00 0.00 175.52 175.34 1nl3 h ASP 44 N 0.86 0.08 -0.35 4.18 3.32 -0.87 -1.52 116.42 122.11 1nl3 h ASP 44 Ca 0.48 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1nl3 h ASP 44 Cb 0.55 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1nl3 h ASP 44 CO -0.30 0.89 0.23 -0.08 -1.72 0.00 0.00 179.24 178.26 1nl3 h GLU 45 N 0.03 0.46 -0.16 3.56 4.81 -0.49 -2.46 114.58 120.33 1nl3 h GLU 45 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1nl3 h GLU 45 Cb 1.48 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1nl3 h GLU 45 CO 0.12 0.32 0.08 0.74 -0.73 0.00 0.00 179.01 179.53 1nl3 h PHE 46 N 0.47 0.23 -0.93 0.92 0.04 -0.67 0.04 116.94 117.04 1nl3 h PHE 46 Ca 0.13 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.92 1nl3 h PHE 46 Cb -0.04 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 1nl3 h PHE 46 CO -0.05 0.26 0.61 0.87 -0.60 0.00 0.00 178.31 179.40 1nl3 h LYS 47 N 0.14 1.16 0.00 1.51 1.79 -1.23 -1.36 116.57 118.58 1nl3 h LYS 47 Ca 0.06 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1nl3 h LYS 47 Cb 0.11 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1nl3 h LYS 47 CO -0.01 0.77 -0.31 0.07 -1.08 0.00 0.00 179.45 178.90 1nl3 h ARG 48 N 1.20 0.00 0.00 3.15 0.11 -1.23 -2.59 114.38 115.02 1nl3 h ARG 48 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 1nl3 h ARG 48 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1nl3 h ARG 48 CO -0.10 0.07 0.00 0.00 0.10 0.00 0.00 179.97 180.04 1nl3 h ARG 49 N 0.00 0.00 0.02 0.08 3.08 -0.09 -2.72 114.38 114.74 1nl3 h ARG 49 Ca -0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 1nl3 h ARG 49 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1nl3 h ARG 49 CO 0.01 0.00 -1.48 -0.07 -1.07 0.00 0.00 179.97 177.36 1nl3 h LEU 50 N 0.00 0.06 -1.04 3.04 3.38 -0.99 -3.25 115.31 116.51 1nl3 h LEU 50 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1nl3 h LEU 50 Cb 0.74 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1nl3 h LEU 50 CO 0.00 1.08 -0.17 0.00 0.09 0.00 0.00 178.44 179.44 1nl3 n ALA 51 N -2.52 2.89 -2.07 1.53 0.00 -1.00 -4.70 120.51 114.64 1nl3 n ALA 51 Ca -0.12 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1nl3 n ALA 51 Cb 1.02 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1nl3 n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nl3 s ASP 52 N -2.24 6.73 -0.05 0.00 -1.08 -1.03 -4.91 116.67 114.09 1nl3 s ASP 52 Ca 0.28 2.37 0.21 0.00 -0.52 0.00 0.00 52.55 54.89 1nl3 s ASP 52 Cb 0.20 -2.58 -0.32 0.00 -1.46 0.00 0.00 42.92 38.76 1nl3 s ASP 52 CO 0.43 -0.76 0.42 0.00 0.52 0.00 0.00 175.17 175.77 1nl3 n GLN 53 N 4.75 0.66 0.25 4.34 3.00 -1.26 -4.12 117.38 124.99 1nl3 n GLN 53 Ca 0.13 -0.17 -0.12 0.00 -0.01 0.00 0.00 57.00 56.83 1nl3 n GLN 53 Cb 0.41 -1.51 -0.06 0.00 0.00 0.00 0.00 30.24 29.08 1nl3 n GLN 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1nl3 h LYS 54 N 0.00 -0.65 -2.54 -1.09 1.79 -2.01 -3.39 116.57 108.67 1nl3 h LYS 54 Ca -0.07 0.04 -0.68 0.00 -2.18 0.00 0.00 60.65 57.77 1nl3 h LYS 54 Cb 1.14 0.15 -0.37 0.00 -1.58 0.00 0.00 32.23 31.56 1nl3 h LYS 54 CO 0.00 -0.37 -0.10 0.09 -1.08 0.00 0.00 179.45 177.99 1nl3 n ASN 55 N -5.24 4.66 -4.73 0.86 3.02 -1.26 -5.09 115.26 107.49 1nl3 n ASN 55 Ca -0.10 -3.41 -0.42 0.00 -0.03 0.00 0.00 54.58 50.63 1nl3 n ASN 55 Cb 0.30 -0.90 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 1nl3 n ASN 55 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nl3 s PRO 56 N -2.47 4.36 0.12 3.52 0.04 -1.26 -4.92 135.00 134.39 1nl3 s PRO 56 Ca 0.36 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.53 1nl3 s PRO 56 Cb 0.09 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1nl3 s PRO 56 CO 0.01 -0.33 -0.25 -1.21 0.04 0.00 0.00 177.00 175.26 1nl3 s GLU 57 N 0.50 1.35 0.38 4.56 2.02 -1.23 -5.11 118.70 121.18 1nl3 s GLU 57 Ca 0.60 -1.28 0.08 0.00 0.02 0.00 0.00 54.97 54.39 1nl3 s GLU 57 Cb -0.36 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 1nl3 s GLU 57 CO 0.34 0.42 0.39 0.95 0.02 0.00 0.00 175.26 177.38 1nl3 s THR 58 N -1.06 3.20 0.46 3.63 -4.23 -1.26 -4.63 115.64 111.75 1nl3 s THR 58 Ca 0.12 -1.25 0.16 0.00 -1.18 0.00 0.00 61.69 59.53 1nl3 s THR 58 Cb -0.10 -3.12 0.33 0.00 1.34 0.00 0.00 72.50 70.95 1nl3 s THR 58 CO 0.05 -0.08 2.02 -0.07 -0.54 0.00 0.00 174.62 176.00 1nl3 h LEU 59 N 1.02 0.25 -0.68 4.79 3.38 -1.98 -0.20 115.31 121.89 1nl3 h LEU 59 Ca -0.43 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1nl3 h LEU 59 Cb 1.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1nl3 h LEU 59 CO 0.55 0.16 0.13 0.44 0.09 0.00 0.00 178.44 179.81 1nl3 h ASP 60 N 0.28 1.05 0.31 -0.43 3.32 -2.00 -1.49 116.42 117.47 1nl3 h ASP 60 Ca 0.22 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1nl3 h ASP 60 Cb 0.49 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1nl3 h ASP 60 CO -0.05 1.03 -0.24 0.44 -1.72 0.00 0.00 179.24 178.70 1nl3 h ASP 61 N 1.03 0.00 0.88 6.45 3.32 -1.44 -2.75 116.42 123.91 1nl3 h ASP 61 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1nl3 h ASP 61 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1nl3 h ASP 61 CO 0.01 0.24 -0.42 0.18 -1.72 0.00 0.00 179.24 177.53 1nl3 n LEU 62 N -4.07 0.58 -0.10 1.55 4.77 -0.71 -4.50 117.00 114.51 1nl3 n LEU 62 Ca -0.02 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 1nl3 n LEU 62 Cb 0.31 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1nl3 n LEU 62 CO 0.36 -0.02 0.78 0.25 -1.33 0.00 0.00 177.39 177.42 1nl3 h LEU 63 N 0.00 -0.41 -0.34 2.23 6.46 -0.97 0.55 115.31 122.83 1nl3 h LEU 63 Ca 0.00 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1nl3 h LEU 63 Cb 0.65 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 1nl3 h LEU 63 CO 0.00 -0.15 -0.05 -0.65 -0.62 0.00 0.00 178.44 176.97 1nl3 h PRO 64 N -0.04 0.03 -0.03 5.25 0.11 -1.80 -0.34 132.00 135.19 1nl3 h PRO 64 Ca 0.18 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1nl3 h PRO 64 Cb 0.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1nl3 h PRO 64 CO -0.39 0.02 -0.09 0.93 -0.21 0.00 0.00 178.00 178.25 1nl3 h GLU 65 N 0.03 0.11 -0.90 1.05 5.08 -1.68 -2.26 114.58 116.00 1nl3 h GLU 65 Ca 0.16 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1nl3 h GLU 65 Cb 0.24 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1nl3 h GLU 65 CO -0.32 0.72 0.59 0.00 -1.00 0.00 0.00 179.01 179.00 1nl3 h ALA 66 N 0.39 1.18 -0.22 3.43 0.00 -0.89 -0.74 119.26 122.41 1nl3 h ALA 66 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nl3 h ALA 66 Cb 0.74 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nl3 h ALA 66 CO 0.02 0.47 0.13 0.74 0.00 0.00 0.00 179.25 180.61 1nl3 h PHE 67 N 1.16 0.29 -0.47 0.00 -1.00 -1.10 -0.03 116.94 115.78 1nl3 h PHE 67 Ca 0.35 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.13 1nl3 h PHE 67 Cb -0.04 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 1nl3 h PHE 67 CO -0.01 0.23 0.28 0.00 -1.61 0.00 0.00 178.31 177.20 1nl3 h ALA 68 N 1.03 0.60 -0.75 2.45 0.00 -1.05 0.32 119.26 121.86 1nl3 h ALA 68 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nl3 h ALA 68 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1nl3 h ALA 68 CO -0.01 0.10 0.35 0.28 0.00 0.00 0.00 179.25 179.96 1nl3 h VAL 69 N 0.63 1.24 -0.21 0.00 2.07 -0.99 -0.93 116.25 118.06 1nl3 h VAL 69 Ca 0.17 -0.68 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 1nl3 h VAL 69 Cb 0.00 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1nl3 h VAL 69 CO -0.03 0.29 -0.54 0.00 0.02 0.00 0.00 177.57 177.30 1nl3 h ALA 70 N 1.32 0.65 -0.44 1.67 0.00 -0.41 -2.24 119.26 119.80 1nl3 h ALA 70 Ca 0.26 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1nl3 h ALA 70 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1nl3 h ALA 70 CO -0.03 0.69 0.14 -0.09 0.00 0.00 0.00 179.25 179.95 1nl3 h ARG 71 N 0.49 0.68 -0.08 0.00 2.43 0.10 -1.83 114.38 116.18 1nl3 h ARG 71 Ca 0.01 -0.15 -0.22 0.00 -0.81 0.00 0.00 59.98 58.81 1nl3 h ARG 71 Cb 1.10 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1nl3 h ARG 71 CO 0.11 0.67 -0.84 1.49 -1.51 0.00 0.00 179.97 179.89 1nl3 h GLU 72 N 0.57 0.59 -0.40 0.20 4.57 -1.20 -2.66 114.58 116.25 1nl3 h GLU 72 Ca 0.14 -0.53 0.07 0.00 -1.18 0.00 0.00 59.36 57.86 1nl3 h GLU 72 Cb 0.27 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 1nl3 h GLU 72 CO -0.00 1.15 0.05 0.00 -1.18 0.00 0.00 179.01 179.03 1nl3 h ALA 73 N 0.69 0.41 -0.65 2.92 0.00 -1.34 0.12 119.26 121.41 1nl3 h ALA 73 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nl3 h ALA 73 Cb 1.46 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1nl3 h ALA 73 CO 0.16 -0.35 0.42 0.00 0.00 0.00 0.00 179.25 179.47 1nl3 h ALA 74 N 1.32 0.84 -0.23 0.00 0.00 -1.26 0.26 119.26 120.20 1nl3 h ALA 74 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1nl3 h ALA 74 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nl3 h ALA 74 CO -0.28 0.20 0.10 2.35 0.00 0.00 0.00 179.25 181.61 1nl3 h TRP 75 N 0.83 0.34 -0.33 0.00 -0.00 -1.08 0.80 115.95 116.52 1nl3 h TRP 75 Ca 0.25 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.08 1nl3 h TRP 75 Cb -0.02 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.02 1nl3 h TRP 75 CO -0.04 0.35 0.01 0.00 -0.00 0.00 0.00 178.44 178.76 1nl3 h ARG 76 N 0.22 0.50 0.07 2.65 3.08 -0.59 -0.75 114.38 119.56 1nl3 h ARG 76 Ca 0.08 -0.10 -0.37 0.00 0.07 0.00 0.00 59.98 59.66 1nl3 h ARG 76 Cb 0.15 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1nl3 h ARG 76 CO -0.01 0.52 -2.12 0.28 -1.07 0.00 0.00 179.97 177.58 1nl3 n VAL 77 N -4.29 1.66 0.91 2.04 0.31 0.88 -4.45 118.33 115.38 1nl3 n VAL 77 Ca 0.01 -0.56 0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1nl3 n VAL 77 Cb 0.23 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.40 1nl3 n VAL 77 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1nl3 n LEU 78 N -3.54 0.88 -3.57 7.52 4.32 0.28 -4.95 117.00 117.93 1nl3 n LEU 78 Ca -0.38 -0.41 -0.19 0.00 -0.02 0.00 0.00 56.01 55.01 1nl3 n LEU 78 Cb 0.99 -0.02 0.06 0.00 -1.62 0.00 0.00 43.42 42.83 1nl3 n LEU 78 CO 0.33 0.22 0.01 0.47 -1.22 0.00 0.00 177.39 177.20 1nl3 n ASP 79 N -1.57 -1.82 -3.13 -1.43 8.00 -0.29 -4.99 116.55 111.31 1nl3 n ASP 79 Ca 0.03 -0.73 0.03 0.00 0.71 0.00 0.00 54.79 54.83 1nl3 n ASP 79 Cb 0.35 -4.55 -0.00 0.00 -0.02 0.00 0.00 41.12 36.90 1nl3 n ASP 79 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1nl3 s GLN 80 N -5.65 0.53 -0.32 -1.24 2.00 -1.23 -5.02 119.66 108.73 1nl3 s GLN 80 Ca 0.03 0.20 -0.17 0.00 -2.00 0.00 0.00 55.36 53.42 1nl3 s GLN 80 Cb -0.01 0.16 -0.01 0.00 0.80 0.00 0.00 33.01 33.95 1nl3 s GLN 80 CO 0.77 -0.89 0.47 0.50 -0.50 0.00 0.00 175.29 175.64 1nl3 s ARG 81 N 2.50 3.74 -0.09 1.67 3.52 -1.26 -3.43 118.95 125.59 1nl3 s ARG 81 Ca 0.15 -0.09 -0.41 0.00 -0.13 0.00 0.00 55.73 55.25 1nl3 s ARG 81 Cb -0.06 -3.76 -0.19 0.00 -1.56 0.00 0.00 34.95 29.38 1nl3 s ARG 81 CO -0.19 -0.53 1.27 -2.30 -0.81 0.00 0.00 175.30 172.74 1nl3 n PRO 82 N 5.61 0.33 -1.14 5.12 -0.02 -1.26 -4.93 135.00 138.71 1nl3 n PRO 82 Ca -0.06 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1nl3 n PRO 82 Cb 0.49 -1.67 0.15 0.00 -0.02 0.00 0.00 33.50 32.46 1nl3 n PRO 82 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1nl3 s PHE 83 N 0.90 2.19 0.17 6.00 0.08 -1.26 -4.80 117.98 121.27 1nl3 s PHE 83 Ca 0.93 1.21 -0.15 0.00 0.12 0.00 0.00 56.93 59.03 1nl3 s PHE 83 Cb -1.23 -3.19 0.14 0.00 -0.57 0.00 0.00 43.02 38.18 1nl3 s PHE 83 CO 0.60 -2.61 1.69 -0.44 -0.10 0.00 0.00 175.22 174.36 1nl3 h ASP 84 N -1.70 -0.19 0.23 1.36 5.19 -1.99 0.43 116.42 119.76 1nl3 h ASP 84 Ca -0.51 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 55.97 1nl3 h ASP 84 Cb 1.30 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.99 1nl3 h ASP 84 CO 0.55 -0.06 -0.14 -0.37 -3.12 0.00 0.00 179.24 176.10 1nl3 h VAL 85 N 0.11 0.86 -0.41 -1.35 -1.51 -1.93 -0.32 116.25 111.70 1nl3 h VAL 85 Ca 0.22 -0.54 -0.10 0.00 -1.23 0.00 0.00 66.70 65.05 1nl3 h VAL 85 Cb 0.32 1.31 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 1nl3 h VAL 85 CO -0.36 0.14 -0.15 1.56 -1.23 0.00 0.00 177.57 177.53 1nl3 h GLN 86 N 0.00 0.77 -0.21 5.19 4.20 -1.28 -1.68 115.11 122.10 1nl3 h GLN 86 Ca -0.00 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1nl3 h GLN 86 Cb 0.30 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1nl3 h GLN 86 CO 0.02 0.87 -0.20 0.28 -0.67 0.00 0.00 178.83 179.13 1nl3 h VAL 87 N 0.69 1.33 -0.39 -0.54 2.07 0.15 -0.93 116.25 118.63 1nl3 h VAL 87 Ca 0.11 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1nl3 h VAL 87 Cb 0.64 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 1nl3 h VAL 87 CO 0.04 0.42 -0.49 0.24 0.02 0.00 0.00 177.57 177.80 1nl3 h MET 88 N 0.18 -0.32 -0.96 1.57 2.86 -1.10 -1.25 114.93 115.92 1nl3 h MET 88 Ca 0.03 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1nl3 h MET 88 Cb 0.75 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1nl3 h MET 88 CO 0.05 -0.21 0.62 0.78 1.06 0.00 0.00 176.91 179.21 1nl3 h GLY 89 N -0.33 1.43 0.72 8.32 0.00 -1.23 -0.63 103.07 111.35 1nl3 h GLY 89 Ca 0.07 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 46.99 1nl3 h GLY 89 CO -0.54 0.34 0.29 0.00 0.00 0.00 0.00 176.54 176.63 1nl3 h ALA 90 N 1.47 0.71 -0.22 3.60 0.00 -0.70 0.03 119.26 124.16 1nl3 h ALA 90 Ca 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1nl3 h ALA 90 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nl3 h ALA 90 CO -0.15 -0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.15 1nl3 h ALA 91 N 1.29 0.28 -0.82 0.00 0.00 -0.06 -0.17 119.26 119.78 1nl3 h ALA 91 Ca 0.24 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.26 1nl3 h ALA 91 Cb 0.14 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 1nl3 h ALA 91 CO -0.16 -0.16 0.22 0.00 0.00 0.00 0.00 179.25 179.15 1nl3 h ALA 92 N 0.96 1.15 -0.08 0.00 0.00 -0.76 -1.10 119.26 119.42 1nl3 h ALA 92 Ca 0.07 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1nl3 h ALA 92 Cb 0.13 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nl3 h ALA 92 CO -0.01 -0.39 -0.56 -0.07 0.00 0.00 0.00 179.25 178.22 1nl3 h LEU 93 N 0.26 0.28 -0.99 0.00 3.38 -0.22 -2.64 115.31 115.38 1nl3 h LEU 93 Ca 0.49 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 1nl3 h LEU 93 Cb 0.92 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1nl3 h LEU 93 CO -0.58 0.78 -0.33 -0.74 0.09 0.00 0.00 178.44 177.66 1nl3 h HIS 94 N 0.19 0.36 -0.00 1.13 2.76 0.12 -2.83 115.15 116.88 1nl3 h HIS 94 Ca 0.00 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1nl3 h HIS 94 Cb 1.04 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1nl3 h HIS 94 CO 0.02 0.61 0.00 1.28 -1.30 0.00 0.00 177.93 178.54 1nl3 n LEU 95 N -4.08 0.06 0.00 0.26 4.77 -0.58 -4.89 117.00 112.54 1nl3 n LEU 95 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1nl3 n LEU 95 Cb 0.43 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1nl3 n LEU 95 CO 0.41 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1nl3 n GLY 96 N 0.88 0.59 3.95 -0.72 0.00 -1.07 -5.06 105.19 103.76 1nl3 n GLY 96 Ca 0.18 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1nl3 n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nl3 s ASN 97 N -2.83 4.87 -0.37 1.61 0.01 -1.02 -4.49 114.94 112.73 1nl3 s ASN 97 Ca 0.00 -1.03 -0.15 0.00 -0.71 0.00 0.00 52.86 50.97 1nl3 s ASN 97 Cb 0.00 0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.91 1nl3 s ASN 97 CO 0.00 -1.14 0.36 -0.69 -1.51 0.00 0.00 177.10 174.12 1nl3 s VAL 98 N -2.69 5.17 -0.16 1.60 1.01 0.88 -2.25 120.40 123.96 1nl3 s VAL 98 Ca 0.46 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1nl3 s VAL 98 Cb -0.04 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1nl3 s VAL 98 CO 0.29 -0.20 1.14 0.00 0.00 0.00 0.00 175.10 176.33 1nl3 s ALA 99 N 1.97 3.60 -0.65 5.51 0.00 -0.67 -0.53 121.76 130.98 1nl3 s ALA 99 Ca 0.10 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 1nl3 s ALA 99 Cb -0.17 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.52 1nl3 s ALA 99 CO 0.12 -0.96 0.78 -2.00 0.00 0.00 0.00 175.76 173.70 1nl3 s GLU 100 N 2.91 3.16 -0.16 0.00 2.12 0.63 -2.98 118.70 124.38 1nl3 s GLU 100 Ca 0.50 -1.42 -0.02 0.00 0.36 0.00 0.00 54.97 54.39 1nl3 s GLU 100 Cb -0.19 -4.35 -0.02 0.00 0.26 0.00 0.00 34.13 29.83 1nl3 s GLU 100 CO 0.14 -1.57 -0.07 -1.64 -0.54 0.00 0.00 175.26 171.57 1nl3 s MET 101 N 2.60 3.51 0.75 4.30 -1.94 -0.33 -1.44 119.30 126.74 1nl3 s MET 101 Ca 0.15 -0.60 -0.15 0.00 -1.71 0.00 0.00 55.69 53.38 1nl3 s MET 101 Cb -0.20 -2.84 0.05 0.00 2.01 0.00 0.00 34.83 33.85 1nl3 s MET 101 CO 0.04 0.13 1.22 0.15 -0.01 0.00 0.00 175.02 176.55 1nl3 s LYS 102 N 0.61 2.00 0.07 2.03 -0.14 -1.26 -3.11 119.74 119.95 1nl3 s LYS 102 Ca -0.04 1.82 -0.37 0.00 -1.36 0.00 0.00 55.97 56.01 1nl3 s LYS 102 Cb -0.15 -1.81 -0.17 0.00 -1.68 0.00 0.00 37.83 34.02 1nl3 s LYS 102 CO 0.03 -1.96 1.28 2.41 -0.76 0.00 0.00 175.35 176.35 1nl3 n THR 103 N -2.81 0.02 -0.90 2.17 -1.04 -1.26 -0.80 114.28 109.66 1nl3 n THR 103 Ca 0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1nl3 n THR 103 Cb 0.50 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 1nl3 n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nl3 n GLY 104 N 2.31 0.63 0.05 3.41 0.00 -1.26 -4.77 105.19 105.56 1nl3 n GLY 104 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1nl3 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nl3 n GLU 105 N -2.71 0.43 -0.15 1.61 -0.58 0.02 -4.59 120.64 114.67 1nl3 n GLU 105 Ca 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1nl3 n GLU 105 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1nl3 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nl3 n GLY 106 N 1.34 1.28 0.03 0.62 0.00 -1.26 -4.80 105.19 102.39 1nl3 n GLY 106 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1nl3 n GLY 106 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nl3 n LYS 107 N -1.68 -0.03 0.10 1.61 4.81 -1.26 -0.85 118.16 120.85 1nl3 n LYS 107 Ca 0.00 0.13 0.02 0.00 -0.87 0.00 0.00 58.31 57.58 1nl3 n LYS 107 Cb 0.02 -0.19 0.36 0.00 0.02 0.00 0.00 35.03 35.25 1nl3 n LYS 107 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1nl3 h THR 108 N 0.00 1.19 0.11 3.15 2.02 -1.99 -2.39 112.91 115.00 1nl3 h THR 108 Ca 0.01 -0.85 -0.33 0.00 0.77 0.00 0.00 66.41 66.02 1nl3 h THR 108 Cb 0.03 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1nl3 h THR 108 CO -0.07 0.27 -1.73 0.25 0.37 0.00 0.00 175.52 174.61 1nl3 h LEU 109 N 0.27 0.37 -0.61 2.58 5.85 -1.54 -3.37 115.31 118.85 1nl3 h LEU 109 Ca 0.05 -0.64 0.12 0.00 0.84 0.00 0.00 57.88 58.25 1nl3 h LEU 109 Cb 0.41 -0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.20 1nl3 h LEU 109 CO 0.02 1.55 -0.20 0.74 -0.34 0.00 0.00 178.44 180.22 1nl3 h THR 110 N 0.06 0.32 0.00 1.05 2.02 -0.72 -0.19 112.91 115.45 1nl3 h THR 110 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1nl3 h THR 110 Cb 2.03 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1nl3 h THR 110 CO 0.13 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.20 1nl3 h VAL 112 N 0.00 1.12 0.88 0.00 2.07 -1.21 -2.34 116.25 116.77 1nl3 h VAL 112 Ca 0.00 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1nl3 h VAL 112 Cb 0.36 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1nl3 h VAL 112 CO 0.00 0.18 -0.47 -0.07 0.02 0.00 0.00 177.57 177.23 1nl3 h LEU 113 N 0.97 -1.15 -1.23 2.57 4.07 -1.52 -0.38 115.31 118.63 1nl3 h LEU 113 Ca 0.31 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.27 1nl3 h LEU 113 Cb 0.01 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1nl3 h LEU 113 CO -0.11 -0.76 -0.05 1.55 -1.08 0.00 0.00 178.44 177.99 1nl3 h PRO 114 N -1.24 0.46 -0.57 1.13 0.13 -1.74 -2.03 132.00 128.14 1nl3 h PRO 114 Ca -0.12 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1nl3 h PRO 114 Cb 0.97 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 1nl3 h PRO 114 CO 0.17 0.53 0.23 0.00 -0.23 0.00 0.00 178.00 178.69 1nl3 h ALA 115 N 1.51 0.74 0.52 -0.56 0.00 -1.36 -0.45 119.26 119.67 1nl3 h ALA 115 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1nl3 h ALA 115 Cb 0.37 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nl3 h ALA 115 CO 0.02 0.36 -0.25 -0.92 0.00 0.00 0.00 179.25 178.46 1nl3 h TYR 116 N 0.79 -0.64 -0.21 0.00 3.20 -0.68 0.15 116.97 119.58 1nl3 h TYR 116 Ca 0.19 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1nl3 h TYR 116 Cb 0.21 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1nl3 h TYR 116 CO 0.01 -0.34 -0.50 1.25 -1.64 0.00 0.00 178.16 176.93 1nl3 h LEU 117 N -0.84 -1.62 -1.55 2.82 5.85 -1.32 -1.36 115.31 117.29 1nl3 h LEU 117 Ca -0.07 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1nl3 h LEU 117 Cb 0.59 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1nl3 h LEU 117 CO 0.12 -0.45 -0.10 0.78 -0.34 0.00 0.00 178.44 178.45 1nl3 h ASN 118 N -0.50 0.15 0.26 1.25 4.21 -1.09 -2.15 115.58 117.71 1nl3 h ASN 118 Ca 0.06 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.51 1nl3 h ASN 118 Cb 0.65 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 1nl3 h ASN 118 CO -0.47 0.28 -0.18 0.00 -1.29 0.00 0.00 177.43 175.77 1nl3 h ALA 119 N 1.74 1.51 -0.15 -0.83 0.00 0.38 -1.98 119.26 119.95 1nl3 h ALA 119 Ca 0.03 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nl3 h ALA 119 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nl3 h ALA 119 CO 0.02 0.22 0.17 -0.07 0.00 0.00 0.00 179.25 179.59 1nl3 h LEU 120 N 0.00 0.00 -1.77 0.00 3.38 -0.66 -1.59 115.31 114.67 1nl3 h LEU 120 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nl3 h LEU 120 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1nl3 h LEU 120 CO 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.55 1nl3 h ALA 121 N 1.80 1.01 0.00 1.53 0.00 -1.51 -3.45 119.26 118.63 1nl3 h ALA 121 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nl3 h ALA 121 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nl3 h ALA 121 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1nl3 n GLY 122 N -0.19 0.43 0.75 0.00 0.00 -0.60 -4.94 105.19 100.64 1nl3 n GLY 122 Ca -0.00 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.22 1nl3 n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nl3 n ASN 123 N 1.61 2.63 0.00 1.61 4.13 -1.26 -5.08 115.26 118.90 1nl3 n ASN 123 Ca 0.00 -1.77 0.00 0.00 1.68 0.00 0.00 54.58 54.49 1nl3 n ASN 123 Cb 0.00 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1nl3 n ASN 123 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nl3 n GLY 124 N 1.00 -0.75 3.13 7.41 0.00 -1.26 -4.75 105.19 109.98 1nl3 n GLY 124 Ca 0.12 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 1nl3 n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nl3 s VAL 125 N -3.12 1.10 -0.23 1.61 1.01 -0.71 -4.25 120.40 115.81 1nl3 s VAL 125 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1nl3 s VAL 125 Cb 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1nl3 s VAL 125 CO 0.00 0.09 -0.08 -1.00 0.00 0.00 0.00 175.10 174.11 1nl3 s HIS 126 N -0.69 2.99 -0.25 5.22 3.76 0.34 -0.44 115.29 126.22 1nl3 s HIS 126 Ca 0.03 -1.42 -0.12 0.00 -0.15 0.00 0.00 55.06 53.40 1nl3 s HIS 126 Cb -0.07 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 1nl3 s HIS 126 CO 0.01 -0.70 0.21 0.42 -0.85 0.00 0.00 174.74 173.83 1nl3 s ILE 127 N 1.36 5.31 -0.21 0.60 -1.09 0.43 -0.78 121.20 126.83 1nl3 s ILE 127 Ca 0.02 0.27 -0.06 0.00 -2.23 0.00 0.00 60.65 58.65 1nl3 s ILE 127 Cb -0.15 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1nl3 s ILE 127 CO -0.06 0.29 0.04 -0.69 -1.23 0.00 0.00 174.94 173.30 1nl3 s VAL 128 N 1.36 4.35 0.30 2.92 1.01 -0.41 -0.69 120.40 129.23 1nl3 s VAL 128 Ca 0.09 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1nl3 s VAL 128 Cb -0.14 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1nl3 s VAL 128 CO 0.07 0.41 -0.06 0.42 0.00 0.00 0.00 175.10 175.94 1nl3 s THR 129 N 0.93 1.78 0.32 3.92 -4.23 0.35 0.14 115.64 118.85 1nl3 s THR 129 Ca 0.03 -2.14 0.11 0.00 -1.18 0.00 0.00 61.69 58.51 1nl3 s THR 129 Cb -0.14 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.22 1nl3 s THR 129 CO 0.02 -0.26 1.73 0.58 -0.54 0.00 0.00 174.62 176.15 1nl3 h VAL 130 N 2.20 1.33 -4.06 2.29 2.07 -1.87 -3.36 116.25 114.86 1nl3 h VAL 130 Ca -0.41 -1.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.38 1nl3 h VAL 130 Cb 1.24 1.84 -0.13 0.00 -1.52 0.00 0.00 31.29 32.72 1nl3 h VAL 130 CO 0.68 0.46 -0.39 0.54 0.02 0.00 0.00 177.57 178.88 1nl3 s ASN 131 N -6.90 0.08 0.26 0.57 2.20 -1.26 -4.94 114.94 104.95 1nl3 s ASN 131 Ca -0.03 -1.03 -0.04 0.00 -0.94 0.00 0.00 52.86 50.83 1nl3 s ASN 131 Cb 0.14 0.43 0.31 0.00 -2.00 0.00 0.00 41.25 40.13 1nl3 s ASN 131 CO 0.75 -0.90 1.86 0.44 -2.94 0.00 0.00 177.10 176.31 1nl3 h ASP 132 N 2.56 0.99 0.24 3.54 5.19 -1.94 -0.04 116.42 126.96 1nl3 h ASP 132 Ca -0.32 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1nl3 h ASP 132 Cb 1.23 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.47 1nl3 h ASP 132 CO 0.49 0.82 -0.22 0.22 -3.12 0.00 0.00 179.24 177.43 1nl3 h TYR 133 N 1.09 -0.59 -0.55 4.55 3.20 -1.99 0.47 116.97 123.16 1nl3 h TYR 133 Ca 0.27 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1nl3 h TYR 133 Cb 0.09 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1nl3 h TYR 133 CO 0.01 -0.33 0.26 -0.07 -1.64 0.00 0.00 178.16 176.39 1nl3 h LEU 134 N -0.49 0.69 0.42 2.82 3.38 -1.89 -0.47 115.31 119.77 1nl3 h LEU 134 Ca -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1nl3 h LEU 134 Cb 0.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nl3 h LEU 134 CO -0.04 0.59 -0.20 0.00 0.09 0.00 0.00 178.44 178.88 1nl3 h ALA 135 N 1.52 -0.56 -0.57 1.53 0.00 -0.74 -1.38 119.26 119.06 1nl3 h ALA 135 Ca 0.19 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1nl3 h ALA 135 Cb 0.08 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1nl3 h ALA 135 CO -0.03 -0.76 0.15 -0.22 0.00 0.00 0.00 179.25 178.40 1nl3 h LYS 136 N -0.68 0.29 0.23 0.00 3.64 -0.67 -1.62 116.57 117.76 1nl3 h LYS 136 Ca -0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1nl3 h LYS 136 Cb 0.50 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1nl3 h LYS 136 CO 0.09 0.19 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.27 1nl3 h ARG 137 N 0.30 -0.30 -0.44 1.90 2.43 -1.01 -2.24 114.38 115.02 1nl3 h ARG 137 Ca 0.29 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1nl3 h ARG 137 Cb 0.39 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1nl3 h ARG 137 CO -0.34 -0.06 0.03 -0.44 -1.51 0.00 0.00 179.97 177.65 1nl3 h ASP 138 N -0.50 0.66 -0.16 -3.80 3.32 -1.21 0.28 116.42 115.01 1nl3 h ASP 138 Ca -0.03 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1nl3 h ASP 138 Cb 0.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1nl3 h ASP 138 CO 0.05 0.71 0.01 0.77 -1.72 0.00 0.00 179.24 179.06 1nl3 h SER 139 N 0.67 0.36 0.11 6.45 4.64 -1.20 0.90 113.55 125.48 1nl3 h SER 139 Ca 0.14 -0.05 -0.28 0.00 -0.47 0.00 0.00 61.79 61.13 1nl3 h SER 139 Cb 0.37 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1nl3 h SER 139 CO 0.01 0.42 -1.41 -0.33 -0.87 0.00 0.00 176.83 174.64 1nl3 h GLU 140 N 0.38 0.24 0.23 4.77 5.08 -0.79 -2.38 114.58 122.10 1nl3 h GLU 140 Ca 0.09 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1nl3 h GLU 140 Cb 0.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nl3 h GLU 140 CO 0.01 1.19 -0.11 2.35 -1.00 0.00 0.00 179.01 181.45 1nl3 h TRP 141 N -0.31 -0.29 0.00 4.33 2.91 -0.45 -3.15 115.95 118.99 1nl3 h TRP 141 Ca -0.31 -0.01 -0.21 0.00 1.13 0.00 0.00 58.89 59.49 1nl3 h TRP 141 Cb 1.75 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 30.46 1nl3 h TRP 141 CO 0.12 -0.04 -1.43 0.52 -1.03 0.00 0.00 178.44 176.58 1nl3 h MET 142 N -0.50 0.00 0.00 2.65 2.86 -1.02 -3.17 114.93 115.75 1nl3 h MET 142 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1nl3 h MET 142 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1nl3 h MET 142 CO 0.05 0.43 0.36 0.78 1.06 0.00 0.00 176.91 179.59 1nl3 h GLY 143 N 3.57 0.00 1.10 8.32 0.00 -1.43 0.42 103.07 115.05 1nl3 h GLY 143 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1nl3 h GLY 143 CO 0.07 0.00 0.52 3.21 0.00 0.00 0.00 176.54 180.34 1nl3 h ARG 144 N 0.00 1.20 0.01 4.80 3.08 -1.51 0.63 114.38 122.58 1nl3 h ARG 144 Ca 0.00 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.71 1nl3 h ARG 144 Cb 0.71 -0.25 0.02 0.00 0.08 0.00 0.00 29.97 30.53 1nl3 h ARG 144 CO 0.00 0.84 -0.91 0.28 -1.07 0.00 0.00 179.97 179.12 1nl3 h VAL 145 N 1.21 1.33 -0.44 2.04 2.07 -0.39 -2.83 116.25 119.25 1nl3 h VAL 145 Ca 0.31 -2.21 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 1nl3 h VAL 145 Cb -0.04 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1nl3 h VAL 145 CO -0.06 0.67 0.13 0.45 0.02 0.00 0.00 177.57 178.78 1nl3 h HIS 146 N 0.21 0.71 -0.36 1.57 3.86 -1.37 -2.06 115.15 117.71 1nl3 h HIS 146 Ca -0.12 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 58.90 1nl3 h HIS 146 Cb 1.58 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.83 1nl3 h HIS 146 CO 0.12 0.65 -0.27 0.00 0.86 0.00 0.00 177.93 179.28 1nl3 h ARG 147 N 0.57 0.74 -0.81 2.45 3.08 -0.96 0.16 114.38 119.61 1nl3 h ARG 147 Ca 0.14 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.91 1nl3 h ARG 147 Cb 0.27 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1nl3 h ARG 147 CO -0.00 0.93 0.51 0.35 -1.07 0.00 0.00 179.97 180.69 1nl3 h PHE 148 N 0.63 0.96 0.00 3.04 3.04 -1.45 -1.73 116.94 121.44 1nl3 h PHE 148 Ca 0.08 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1nl3 h PHE 148 Cb 0.79 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1nl3 h PHE 148 CO 0.04 0.54 0.00 1.28 -2.02 0.00 0.00 178.31 178.15 1nl3 n LEU 149 N -4.60 0.00 0.00 0.59 4.77 -0.78 -4.60 117.00 112.38 1nl3 n LEU 149 Ca 0.10 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1nl3 n LEU 149 Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nl3 n LEU 149 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1nl3 n GLY 150 N 0.81 0.69 3.95 -0.72 0.00 -0.63 -4.58 105.19 104.71 1nl3 n GLY 150 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1nl3 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nl3 s LEU 151 N 0.00 3.76 -0.15 0.99 1.43 0.48 -4.95 118.68 120.24 1nl3 s LEU 151 Ca 0.00 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1nl3 s LEU 151 Cb 0.00 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1nl3 s LEU 151 CO 0.00 -0.58 -0.00 -1.10 0.23 0.00 0.00 176.35 174.90 1nl3 s GLN 152 N -4.47 3.61 -0.13 1.70 -1.52 -1.26 -3.77 119.66 113.81 1nl3 s GLN 152 Ca 0.46 -0.45 0.01 0.00 -1.95 0.00 0.00 55.36 53.43 1nl3 s GLN 152 Cb -0.10 -2.97 -0.01 0.00 -0.22 0.00 0.00 33.01 29.72 1nl3 s GLN 152 CO 0.37 0.35 -0.17 0.08 -0.25 0.00 0.00 175.29 175.67 1nl3 s VAL 153 N 0.09 2.63 0.33 1.09 1.01 -1.26 -0.14 120.40 124.15 1nl3 s VAL 153 Ca 0.02 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1nl3 s VAL 153 Cb -0.13 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1nl3 s VAL 153 CO 0.02 0.53 -0.06 -0.83 0.00 0.00 0.00 175.10 174.76 1nl3 s GLY 154 N 0.51 2.09 0.00 4.51 0.00 0.11 -4.96 107.32 109.58 1nl3 s GLY 154 Ca -0.11 -2.00 0.04 0.00 0.00 0.00 0.00 44.72 42.65 1nl3 s GLY 154 CO 0.05 -1.96 -0.13 0.14 0.00 0.00 0.00 173.10 171.20 1nl3 s VAL 155 N -2.55 1.00 -0.08 1.40 1.01 -1.26 -0.72 120.40 119.19 1nl3 s VAL 155 Ca 0.33 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1nl3 s VAL 155 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1nl3 s VAL 155 CO 0.18 0.22 0.01 0.27 0.00 0.00 0.00 175.10 175.78 1nl3 s ILE 156 N -0.41 4.40 0.05 2.22 -4.36 -0.99 -4.81 121.20 117.30 1nl3 s ILE 156 Ca 0.04 -0.26 0.03 0.00 -0.26 0.00 0.00 60.65 60.21 1nl3 s ILE 156 Cb -0.05 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 1nl3 s ILE 156 CO -0.00 0.57 -0.10 -0.76 0.24 0.00 0.00 174.94 174.89 1nl3 s LEU 157 N -1.00 2.27 0.57 0.37 1.43 -1.26 -4.62 118.68 116.45 1nl3 s LEU 157 Ca 0.14 -0.59 0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1nl3 s LEU 157 Cb -0.11 -0.27 1.44 0.00 0.03 0.00 0.00 46.19 47.27 1nl3 s LEU 157 CO 0.04 -0.17 1.82 0.00 0.23 0.00 0.00 176.35 178.27 1nl3 h ALA 158 N 4.36 2.54 0.00 4.21 0.00 -1.99 -2.22 119.26 126.15 1nl3 h ALA 158 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1nl3 h ALA 158 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nl3 h ALA 158 CO 0.42 -1.01 -0.40 0.25 0.00 0.00 0.00 179.25 178.51 1nl3 n THR 159 N -3.85 0.01 -2.60 0.00 -2.24 -1.26 -4.97 114.28 99.37 1nl3 n THR 159 Ca 0.14 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.55 1nl3 n THR 159 Cb 0.90 0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 1nl3 n THR 159 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1nl3 s MET 160 N -3.00 4.34 0.61 -0.78 -1.94 -0.84 -5.05 119.30 112.64 1nl3 s MET 160 Ca 0.11 1.49 -0.14 0.00 -1.71 0.00 0.00 55.69 55.45 1nl3 s MET 160 Cb 0.18 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 1nl3 s MET 160 CO 0.66 0.02 1.04 0.95 -0.01 0.00 0.00 175.02 177.68 1nl3 s THR 161 N -1.59 4.16 0.27 2.05 -4.23 -1.26 -4.84 115.64 110.20 1nl3 s THR 161 Ca 0.54 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1nl3 s THR 161 Cb -0.22 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1nl3 s THR 161 CO 0.28 -0.74 1.69 -0.65 -0.54 0.00 0.00 174.62 174.65 1nl3 h PRO 162 N 0.08 0.33 -0.58 3.99 0.11 -1.97 0.17 132.00 134.14 1nl3 h PRO 162 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1nl3 h PRO 162 Cb 1.21 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1nl3 h PRO 162 CO 0.59 0.22 0.25 -0.44 -0.21 0.00 0.00 178.00 178.41 1nl3 h ASP 163 N 0.34 0.75 -0.18 -2.05 5.19 -1.95 0.23 116.42 118.75 1nl3 h ASP 163 Ca 0.51 -0.08 -0.21 0.00 -0.62 0.00 0.00 57.03 56.62 1nl3 h ASP 163 Cb 0.94 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.26 1nl3 h ASP 163 CO -0.54 0.66 -0.72 -0.33 -3.12 0.00 0.00 179.24 175.19 1nl3 h GLU 164 N 0.82 0.81 -0.42 3.56 5.08 -1.13 -3.02 114.58 120.28 1nl3 h GLU 164 Ca 0.20 -0.63 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1nl3 h GLU 164 Cb 0.13 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1nl3 h GLU 164 CO -0.02 1.24 0.11 0.00 -1.00 0.00 0.00 179.01 179.34 1nl3 h ARG 165 N 0.56 0.67 -0.59 2.33 3.08 -0.56 -2.77 114.38 117.10 1nl3 h ARG 165 Ca -0.04 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 59.93 1nl3 h ARG 165 Cb 1.35 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.24 1nl3 h ARG 165 CO 0.15 0.68 0.25 -0.09 -1.07 0.00 0.00 179.97 179.89 1nl3 h ARG 166 N 0.55 0.45 -0.57 0.04 2.43 -0.95 0.29 114.38 116.63 1nl3 h ARG 166 Ca 0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1nl3 h ARG 166 Cb 0.30 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1nl3 h ARG 166 CO -0.00 0.30 0.35 0.28 -1.51 0.00 0.00 179.97 179.39 1nl3 h VAL 167 N 0.47 1.08 -0.69 0.20 2.07 -1.47 -1.34 116.25 116.57 1nl3 h VAL 167 Ca 0.28 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1nl3 h VAL 167 Cb 0.29 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1nl3 h VAL 167 CO -0.25 0.13 0.34 0.00 0.02 0.00 0.00 177.57 177.81 1nl3 h ALA 168 N 1.24 0.88 0.00 1.67 0.00 -0.43 -1.23 119.26 121.39 1nl3 h ALA 168 Ca 0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nl3 h ALA 168 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1nl3 h ALA 168 CO -0.09 0.43 -0.27 1.88 0.00 0.00 0.00 179.25 181.20 1nl3 h TYR 169 N 0.95 0.00 0.00 0.00 0.05 -0.35 -2.59 116.97 115.03 1nl3 h TYR 169 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1nl3 h TYR 169 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1nl3 h TYR 169 CO 0.00 0.27 0.00 -0.91 -1.05 0.00 0.00 178.16 176.48 1nl3 h ASN 170 N 0.00 0.00 -4.17 3.88 2.35 -0.06 -3.45 115.58 114.13 1nl3 h ASN 170 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1nl3 h ASN 170 Cb 0.56 0.00 0.19 0.00 0.05 0.00 0.00 38.32 39.12 1nl3 h ASN 170 CO 0.04 0.00 0.21 0.00 -1.65 0.00 0.00 177.43 176.02 1nl3 s ALA 171 N -3.24 1.33 0.16 -0.83 0.00 -0.97 -4.95 121.76 113.26 1nl3 s ALA 171 Ca 0.07 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 1nl3 s ALA 171 Cb 0.10 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1nl3 s ALA 171 CO 0.53 -2.80 1.74 -0.44 0.00 0.00 0.00 175.76 174.78 1nl3 h ASP 172 N -1.90 0.68 -4.05 0.00 3.32 -0.85 -3.43 116.42 110.19 1nl3 h ASP 172 Ca -0.45 -0.13 -0.58 0.00 0.02 0.00 0.00 57.03 55.89 1nl3 h ASP 172 Cb 1.27 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 1nl3 h ASP 172 CO 0.43 0.62 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.10 1nl3 s ILE 173 N -5.70 1.51 -0.10 0.35 1.01 -0.74 -1.75 121.20 115.78 1nl3 s ILE 173 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1nl3 s ILE 173 Cb 0.12 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1nl3 s ILE 173 CO 0.77 0.43 -0.19 -0.89 0.00 0.00 0.00 174.94 175.06 1nl3 s THR 174 N -0.13 1.73 0.41 2.92 2.01 0.42 0.09 115.64 123.09 1nl3 s THR 174 Ca -0.00 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1nl3 s THR 174 Cb -0.10 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1nl3 s THR 174 CO 0.01 0.49 0.64 -0.31 -0.69 0.00 0.00 174.62 174.76 1nl3 s TYR 175 N 0.63 3.42 0.00 4.92 1.51 0.10 -0.43 117.35 127.50 1nl3 s TYR 175 Ca -0.13 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.33 1nl3 s TYR 175 Cb -0.16 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1nl3 s TYR 175 CO 0.04 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.76 1nl3 n GLY 176 N -1.98 -0.92 3.94 0.71 0.00 0.13 -2.35 105.19 104.72 1nl3 n GLY 176 Ca -0.02 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 1nl3 n GLY 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nl3 s THR 177 N -2.00 5.19 0.41 2.61 -4.23 -1.26 -0.50 115.64 115.85 1nl3 s THR 177 Ca 0.00 -0.87 0.14 0.00 -1.18 0.00 0.00 61.69 59.77 1nl3 s THR 177 Cb 0.00 -3.73 0.35 0.00 1.34 0.00 0.00 72.50 70.45 1nl3 s THR 177 CO 0.00 -0.20 1.91 -0.55 -0.54 0.00 0.00 174.62 175.24 1nl3 h ASN 178 N 1.76 0.47 0.49 3.99 7.08 -1.92 -0.92 115.58 126.52 1nl3 h ASN 178 Ca -0.50 0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 52.73 1nl3 h ASN 178 Cb 1.21 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.39 1nl3 h ASN 178 CO 0.65 0.24 -0.25 -1.13 -2.08 0.00 0.00 177.43 174.86 1nl3 h ASN 179 N 0.50 -0.60 -0.53 6.14 -1.24 -1.94 0.55 115.58 118.45 1nl3 h ASN 179 Ca 0.39 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.42 1nl3 h ASN 179 Cb 0.81 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.99 1nl3 h ASN 179 CO -0.14 -0.42 0.31 -0.33 -1.29 0.00 0.00 177.43 175.56 1nl3 h GLU 180 N -0.68 0.73 0.71 6.67 4.39 -1.77 0.42 114.58 125.05 1nl3 h GLU 180 Ca -0.07 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1nl3 h GLU 180 Cb 0.53 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1nl3 h GLU 180 CO 0.10 0.55 -0.34 0.74 -1.16 0.00 0.00 179.01 178.89 1nl3 h PHE 181 N 0.72 -0.89 -0.74 4.33 0.04 -1.17 -2.50 116.94 116.74 1nl3 h PHE 181 Ca 0.19 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.03 1nl3 h PHE 181 Cb 0.01 0.29 -0.12 0.00 2.20 0.00 0.00 35.95 38.34 1nl3 h PHE 181 CO -0.02 -0.55 -0.49 0.78 -0.60 0.00 0.00 178.31 177.43 1nl3 h GLY 182 N -1.05 -0.55 1.29 -1.45 0.00 -0.86 -0.49 103.07 99.97 1nl3 h GLY 182 Ca -0.10 0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 1nl3 h GLY 182 CO 0.16 -0.10 0.39 0.74 0.00 0.00 0.00 176.54 177.72 1nl3 h PHE 183 N -0.15 0.91 -0.86 5.60 0.04 -0.99 0.42 116.94 121.90 1nl3 h PHE 183 Ca 0.19 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1nl3 h PHE 183 Cb 0.53 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 1nl3 h PHE 183 CO -0.83 0.63 0.54 -0.44 -0.60 0.00 0.00 178.31 177.61 1nl3 h ASP 184 N 0.95 1.01 -0.40 2.17 3.32 -0.79 0.36 116.42 123.04 1nl3 h ASP 184 Ca 0.24 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1nl3 h ASP 184 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1nl3 h ASP 184 CO -0.04 0.76 0.19 0.22 -1.72 0.00 0.00 179.24 178.65 1nl3 h TYR 185 N 1.18 0.59 -0.45 4.55 3.20 -0.02 0.93 116.97 126.95 1nl3 h TYR 185 Ca 0.31 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1nl3 h TYR 185 Cb -0.09 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1nl3 h TYR 185 CO -0.01 0.50 0.27 -0.07 -1.64 0.00 0.00 178.16 177.21 1nl3 h LEU 186 N 0.51 0.54 -0.89 2.82 3.38 -0.44 -2.60 115.31 118.64 1nl3 h LEU 186 Ca 0.14 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1nl3 h LEU 186 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nl3 h LEU 186 CO -0.02 0.44 -0.33 0.03 0.09 0.00 0.00 178.44 178.65 1nl3 h ARG 187 N 0.59 0.42 -0.42 1.13 3.08 -0.06 -2.50 114.38 116.62 1nl3 h ARG 187 Ca 0.16 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1nl3 h ARG 187 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1nl3 h ARG 187 CO -0.03 0.71 0.17 -0.44 -1.07 0.00 0.00 179.97 179.31 1nl3 h ASP 188 N 0.36 0.20 0.00 7.04 5.19 -0.58 -1.64 116.42 126.99 1nl3 h ASP 188 Ca 0.04 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1nl3 h ASP 188 Cb 0.76 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1nl3 h ASP 188 CO 0.06 0.15 0.00 0.59 -3.12 0.00 0.00 179.24 176.92 1nl3 n ASN 189 N -4.98 0.34 -0.00 6.45 3.02 -0.95 -1.44 115.26 117.70 1nl3 n ASN 189 Ca 0.03 -1.98 0.02 0.00 -0.03 0.00 0.00 54.58 52.62 1nl3 n ASN 189 Cb 0.14 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1nl3 n ASN 189 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nl3 n MET 190 N -0.33 3.00 -1.50 3.52 2.81 -0.68 -4.97 117.12 118.98 1nl3 n MET 190 Ca 0.00 -0.02 -0.42 0.00 -1.81 0.00 0.00 57.70 55.45 1nl3 n MET 190 Cb 0.08 -0.89 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 1nl3 n MET 190 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nl3 n ALA 191 N -1.36 -1.08 0.20 3.04 0.00 -0.52 -4.91 120.51 115.87 1nl3 n ALA 191 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 53.44 53.75 1nl3 n ALA 191 Cb 0.09 -1.86 0.19 0.00 0.00 0.00 0.00 19.45 17.87 1nl3 n ALA 191 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nl3 n HIS 192 N -0.68 0.46 -3.60 0.00 8.25 -1.26 -4.97 115.22 113.43 1nl3 n HIS 192 Ca 0.11 -0.28 -0.15 0.00 -0.26 0.00 0.00 57.72 57.15 1nl3 n HIS 192 Cb 0.38 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 1nl3 n HIS 192 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nl3 s SER 193 N -1.30 -0.69 0.37 0.41 0.15 -1.26 -5.01 113.70 106.38 1nl3 s SER 193 Ca 0.34 1.17 0.05 0.00 0.70 0.00 0.00 55.95 58.20 1nl3 s SER 193 Cb 0.20 1.13 0.74 0.00 -1.71 0.00 0.00 66.02 66.37 1nl3 s SER 193 CO 0.27 -0.34 2.02 0.25 1.20 0.00 0.00 173.24 176.64 1nl3 h LEU 194 N 4.32 0.62 -2.30 3.45 5.85 -1.94 -0.46 115.31 124.85 1nl3 h LEU 194 Ca -0.28 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1nl3 h LEU 194 Cb 1.16 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1nl3 h LEU 194 CO 0.15 0.44 0.11 0.44 -0.34 0.00 0.00 178.44 179.25 1nl3 h ASP 195 N 0.73 0.00 1.75 1.25 5.19 -1.97 -2.85 116.42 120.52 1nl3 h ASP 195 Ca 0.21 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1nl3 h ASP 195 Cb -0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1nl3 h ASP 195 CO -0.05 0.00 -0.25 0.44 -3.12 0.00 0.00 179.24 176.26 1nl3 h ASP 196 N 0.00 0.00 -3.29 6.45 3.32 -1.50 -3.46 116.42 117.94 1nl3 h ASP 196 Ca 0.05 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.57 1nl3 h ASP 196 Cb 0.27 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.90 1nl3 h ASP 196 CO -0.00 0.20 0.88 -0.76 -1.72 0.00 0.00 179.24 177.84 1nl3 s LEU 197 N -6.27 4.35 -0.22 1.55 1.43 -1.08 -4.93 118.68 113.51 1nl3 s LEU 197 Ca 0.05 2.92 0.07 0.00 -1.03 0.00 0.00 54.13 56.14 1nl3 s LEU 197 Cb 0.06 -3.63 -0.19 0.00 0.03 0.00 0.00 46.19 42.46 1nl3 s LEU 197 CO 0.71 -0.90 -0.12 1.33 0.23 0.00 0.00 176.35 177.60 1nl3 n VAL 198 N 2.31 1.36 -2.10 -1.59 0.24 -1.26 -4.95 118.33 112.34 1nl3 n VAL 198 Ca 0.09 -0.63 -0.27 0.00 -2.04 0.00 0.00 64.34 61.49 1nl3 n VAL 198 Cb 0.38 -1.06 0.07 0.00 -1.47 0.00 0.00 33.84 31.76 1nl3 n VAL 198 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1nl3 s GLN 199 N -2.48 2.19 -0.37 7.34 -0.21 -1.26 -4.46 119.66 120.41 1nl3 s GLN 199 Ca -0.25 -0.10 0.13 0.00 0.02 0.00 0.00 55.36 55.16 1nl3 s GLN 199 Cb 0.07 -2.10 0.38 0.00 1.00 0.00 0.00 33.01 32.36 1nl3 s GLN 199 CO 0.64 -1.31 0.81 2.89 -2.12 0.00 0.00 175.29 176.20 1nl3 n ARG 200 N -3.03 1.24 0.00 2.91 1.85 -1.26 -5.10 116.66 113.27 1nl3 n ARG 200 Ca 0.08 -3.49 0.00 0.00 -1.00 0.00 0.00 57.85 53.44 1nl3 n ARG 200 Cb 0.60 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1nl3 n ARG 200 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nl3 n GLY 201 N 0.14 -0.85 2.66 2.89 0.00 -1.26 -4.84 105.19 103.92 1nl3 n GLY 201 Ca 0.22 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1nl3 n GLY 201 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nl3 s HIS 202 N -1.59 1.92 -0.18 1.61 0.09 -1.26 -4.96 115.29 110.91 1nl3 s HIS 202 Ca 0.00 -2.45 -0.19 0.00 -0.00 0.00 0.00 55.06 52.42 1nl3 s HIS 202 Cb 0.00 -1.75 -0.16 0.00 -0.00 0.00 0.00 32.58 30.67 1nl3 s HIS 202 CO 0.00 -0.76 0.19 0.45 -0.00 0.00 0.00 174.74 174.62 1nl3 h HIS 203 N 6.41 0.00 -2.79 1.40 -0.00 -1.85 -2.11 115.15 116.22 1nl3 h HIS 203 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.29 1nl3 h HIS 203 Cb 0.91 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 28.04 1nl3 h HIS 203 CO 0.47 1.10 -0.37 -0.47 -0.00 0.00 0.00 177.93 178.66 1nl3 s TYR 204 N -2.29 -0.50 -0.09 2.45 5.04 -1.26 -1.93 117.35 118.77 1nl3 s TYR 204 Ca -0.24 1.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.50 1nl3 s TYR 204 Cb 0.04 0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.55 1nl3 s TYR 204 CO 0.51 -0.30 -0.11 0.00 -1.34 0.00 0.00 175.55 174.30 1nl3 s ALA 205 N 1.36 1.37 -0.39 3.97 0.00 -1.10 -0.50 121.76 126.47 1nl3 s ALA 205 Ca -0.09 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1nl3 s ALA 205 Cb -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1nl3 s ALA 205 CO -0.11 -0.12 0.34 0.42 0.00 0.00 0.00 175.76 176.29 1nl3 s ILE 206 N 1.10 5.20 -0.44 0.00 1.01 0.04 -0.67 121.20 127.46 1nl3 s ILE 206 Ca -0.06 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 1nl3 s ILE 206 Cb -0.14 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.44 1nl3 s ILE 206 CO -0.02 -0.26 0.77 -0.69 0.00 0.00 0.00 174.94 174.75 1nl3 s VAL 207 N 1.86 4.67 0.49 2.92 1.01 0.63 -1.29 120.40 130.70 1nl3 s VAL 207 Ca 0.08 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 1nl3 s VAL 207 Cb -0.18 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 1nl3 s VAL 207 CO 0.11 -0.67 1.01 -0.62 0.00 0.00 0.00 175.10 174.93 1nl3 s ASP 208 N 2.09 6.46 -1.28 3.32 2.15 0.38 -1.62 116.67 128.17 1nl3 s ASP 208 Ca 0.29 1.79 -0.13 0.00 0.43 0.00 0.00 52.55 54.94 1nl3 s ASP 208 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1nl3 s ASP 208 CO 0.22 -0.70 0.59 -0.62 -0.17 0.00 0.00 175.17 174.49 1nl3 n GLU 209 N -1.13 -1.98 -0.23 4.34 -0.58 -0.81 -4.61 120.64 115.64 1nl3 n GLU 209 Ca 0.08 0.37 0.02 0.00 -0.42 0.00 0.00 57.16 57.21 1nl3 n GLU 209 Cb 0.53 -4.08 0.14 0.00 -0.57 0.00 0.00 31.44 27.47 1nl3 n GLU 209 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nl3 h VAL 210 N -1.96 0.73 -0.59 2.62 2.07 -1.07 -0.76 116.25 117.28 1nl3 h VAL 210 Ca -0.66 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1nl3 h VAL 210 Cb 1.37 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1nl3 h VAL 210 CO 0.56 0.08 0.27 -2.24 0.02 0.00 0.00 177.57 176.26 1nl3 h ASP 211 N 0.43 0.76 -0.20 0.57 2.03 -1.83 0.88 116.42 119.07 1nl3 h ASP 211 Ca 0.35 -0.08 -0.13 0.00 -0.73 0.00 0.00 57.03 56.44 1nl3 h ASP 211 Cb 0.47 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 1nl3 h ASP 211 CO -0.34 0.66 -0.34 0.28 -1.03 0.00 0.00 179.24 178.46 1nl3 h SER 212 N 0.84 0.74 0.00 4.15 0.02 -1.50 -2.36 113.55 115.44 1nl3 h SER 212 Ca 0.21 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.69 1nl3 h SER 212 Cb 0.11 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1nl3 h SER 212 CO -0.03 1.01 -0.89 0.40 -1.14 0.00 0.00 176.83 176.19 1nl3 h ILE 213 N 0.60 0.98 0.00 3.27 2.04 -1.14 -0.24 117.51 123.01 1nl3 h ILE 213 Ca 0.06 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1nl3 h ILE 213 Cb 0.86 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1nl3 h ILE 213 CO 0.07 0.33 -0.05 -0.07 0.00 0.00 0.00 178.15 178.44 1nl3 h LEU 214 N -1.00 0.00 0.00 1.44 3.38 -0.98 -3.18 115.31 114.97 1nl3 h LEU 214 Ca -0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nl3 h LEU 214 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nl3 h LEU 214 CO -0.14 0.00 -0.04 -0.38 0.09 0.00 0.00 178.44 177.97 1nl3 n ILE 215 N -2.71 0.15 0.03 1.22 2.08 -1.05 -4.51 119.36 114.56 1nl3 n ILE 215 Ca 0.04 0.21 -0.12 0.00 0.56 0.00 0.00 62.75 63.44 1nl3 n ILE 215 Cb 0.49 -1.27 -0.08 0.00 -0.75 0.00 0.00 39.64 38.03 1nl3 n ILE 215 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1nl3 h ASP 216 N -0.04 0.01 1.03 4.38 3.32 -1.43 -2.63 116.42 121.05 1nl3 h ASP 216 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1nl3 h ASP 216 Cb 0.04 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1nl3 h ASP 216 CO 0.00 0.12 0.00 -0.33 -1.72 0.00 0.00 179.24 177.31 1nl3 h GLU 217 N -0.10 0.00 0.00 3.56 5.08 -1.09 -3.19 114.58 118.83 1nl3 h GLU 217 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nl3 h GLU 217 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1nl3 h GLU 217 CO -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 177.99 1nl3 h ALA 218 N 2.31 1.05 -0.75 3.43 0.00 -1.45 -2.89 119.26 120.96 1nl3 h ALA 218 Ca 0.00 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.11 1nl3 h ALA 218 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1nl3 h ALA 218 CO 0.00 0.02 0.92 -0.09 0.00 0.00 0.00 179.25 180.11 1nl3 h ARG 219 N 0.00 0.00 -4.57 0.00 2.43 -1.68 -3.42 114.38 107.14 1nl3 h ARG 219 Ca -0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1nl3 h ARG 219 Cb 0.26 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 29.47 1nl3 h ARG 219 CO 0.00 0.00 -0.82 0.99 -1.51 0.00 0.00 179.97 178.63 1nl3 s THR 220 N -4.47 1.22 0.84 0.20 2.01 -1.09 -4.84 115.64 109.50 1nl3 s THR 220 Ca -0.03 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1nl3 s THR 220 Cb 0.14 -1.13 0.09 0.00 0.01 0.00 0.00 72.50 71.61 1nl3 s THR 220 CO 0.47 0.38 1.10 -2.84 -0.69 0.00 0.00 174.62 173.04 1nl3 s PRO 221 N 0.85 1.77 -0.20 4.92 0.02 -1.26 -4.53 135.00 136.57 1nl3 s PRO 221 Ca -0.11 0.68 -0.14 0.00 0.02 0.00 0.00 61.00 61.46 1nl3 s PRO 221 Cb -0.15 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1nl3 s PRO 221 CO 0.01 -1.85 0.32 -0.51 -0.33 0.00 0.00 177.00 174.64 1nl3 s LEU 222 N -5.93 4.16 -0.04 -5.54 1.02 -0.04 -4.99 118.68 107.31 1nl3 s LEU 222 Ca 0.62 0.40 0.02 0.00 0.02 0.00 0.00 54.13 55.19 1nl3 s LEU 222 Cb -0.16 -2.38 0.01 0.00 0.02 0.00 0.00 46.19 43.69 1nl3 s LEU 222 CO 0.55 -0.01 -0.07 -0.63 0.02 0.00 0.00 176.35 176.21 1nl3 s ILE 223 N 1.09 0.72 -0.29 -0.59 1.01 -1.26 -2.31 121.20 119.57 1nl3 s ILE 223 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 1nl3 s ILE 223 Cb -0.14 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1nl3 s ILE 223 CO 0.06 0.25 0.14 -0.63 0.00 0.00 0.00 174.94 174.76 1nl3 s ILE 224 N 0.64 4.66 0.35 2.92 1.01 0.37 -5.00 121.20 126.15 1nl3 s ILE 224 Ca -0.10 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.38 1nl3 s ILE 224 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1nl3 s ILE 224 CO 0.01 0.17 0.32 -0.94 0.00 0.00 0.00 174.94 174.50 1nl3 s SER 225 N 1.64 5.26 0.19 3.58 1.04 -1.26 0.55 113.70 124.71 1nl3 s SER 225 Ca 0.06 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 1nl3 s SER 225 Cb -0.16 -0.89 0.07 0.00 0.10 0.00 0.00 66.02 65.13 1nl3 s SER 225 CO 0.06 -0.42 0.98 -0.83 0.98 0.00 0.00 173.24 174.01 1nl3 s GLY 226 N -4.03 -0.01 0.24 7.32 0.00 -0.74 -4.86 107.32 105.24 1nl3 s GLY 226 Ca 0.43 -0.18 -0.31 0.00 0.00 0.00 0.00 44.72 44.65 1nl3 s GLY 226 CO 0.27 1.06 1.51 -1.55 0.00 0.00 0.00 173.10 174.39 1nl3 n PRO 227 N -0.58 2.30 -0.26 2.90 -0.04 -1.26 0.65 135.00 138.71 1nl3 n PRO 227 Ca -0.05 0.82 0.26 0.00 -0.04 0.00 0.00 63.50 64.49 1nl3 n PRO 227 Cb 0.60 -2.54 0.62 0.00 -0.04 0.00 0.00 33.50 32.14 1nl3 n PRO 227 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nl3 h ALA 228 N 4.80 2.58 -2.22 0.55 0.00 -1.40 -3.45 119.26 120.12 1nl3 h ALA 228 Ca -0.45 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.04 1nl3 h ALA 228 Cb 1.25 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1nl3 h ALA 228 CO 0.80 -0.90 -0.48 -3.47 0.00 0.00 0.00 179.25 175.20 1nl3 n ASP 229 N -4.40 -5.78 -3.97 0.00 4.64 -1.26 -4.93 116.55 100.85 1nl3 n ASP 229 Ca 0.22 0.19 -0.28 0.00 -1.38 0.00 0.00 54.79 53.53 1nl3 n ASP 229 Cb 0.93 -4.91 0.23 0.00 -1.04 0.00 0.00 41.12 36.32 1nl3 n ASP 229 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1nl3 n GLY 230 N -0.78 -2.74 2.54 0.27 0.00 -1.26 -4.91 105.19 98.30 1nl3 n GLY 230 Ca -0.23 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1nl3 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nl3 n ALA 231 N -4.95 6.41 -0.24 4.61 0.00 -1.26 -4.74 120.51 120.33 1nl3 n ALA 231 Ca 0.05 -3.69 0.10 0.00 0.00 0.00 0.00 53.44 49.90 1nl3 n ALA 231 Cb 0.55 -1.86 0.37 0.00 0.00 0.00 0.00 19.45 18.51 1nl3 n ALA 231 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nl3 h SER 232 N 2.35 0.65 -0.84 0.00 0.02 -2.00 -0.90 113.55 112.84 1nl3 h SER 232 Ca 0.59 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.56 1nl3 h SER 232 Cb 0.53 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 1nl3 h SER 232 CO 1.53 0.36 0.48 -0.55 -1.14 0.00 0.00 176.83 177.52 1nl3 h ASN 233 N 0.71 1.03 -0.35 3.07 -0.00 -2.00 -2.14 115.58 115.90 1nl3 h ASN 233 Ca 0.40 -0.09 -0.10 0.00 -0.00 0.00 0.00 56.30 56.52 1nl3 h ASN 233 Cb 0.57 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.62 1nl3 h ASN 233 CO -0.17 0.82 -0.17 -0.50 -0.00 0.00 0.00 177.43 177.41 1nl3 h TRP 234 N 1.16 0.84 -0.66 4.14 -0.00 -1.57 -0.19 115.95 119.67 1nl3 h TRP 234 Ca 0.30 -0.21 0.05 0.00 -0.00 0.00 0.00 58.89 59.03 1nl3 h TRP 234 Cb -0.00 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.16 28.91 1nl3 h TRP 234 CO 0.00 0.93 0.38 1.88 -0.00 0.00 0.00 178.44 181.63 1nl3 h TYR 235 N 0.51 0.69 -0.07 0.49 0.05 -1.36 0.67 116.97 117.96 1nl3 h TYR 235 Ca 0.08 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1nl3 h TYR 235 Cb 0.71 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1nl3 h TYR 235 CO 0.06 0.34 0.03 1.15 -1.05 0.00 0.00 178.16 178.69 1nl3 h THR 236 N 0.70 1.15 0.00 -2.88 2.02 -1.15 -0.67 112.91 112.09 1nl3 h THR 236 Ca 0.29 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1nl3 h THR 236 Cb 0.16 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1nl3 h THR 236 CO -0.17 0.13 -0.12 -0.08 0.37 0.00 0.00 175.52 175.65 1nl3 h GLU 237 N -0.05 0.00 0.00 6.66 4.57 -0.66 -2.20 114.58 122.89 1nl3 h GLU 237 Ca 0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1nl3 h GLU 237 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1nl3 h GLU 237 CO -0.00 0.12 -1.11 0.74 -1.18 0.00 0.00 179.01 177.59 1nl3 h PHE 238 N 0.00 0.00 -0.57 0.92 0.04 -0.62 -2.33 116.94 114.39 1nl3 h PHE 238 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1nl3 h PHE 238 Cb 0.24 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1nl3 h PHE 238 CO 0.00 0.29 0.15 0.00 -0.60 0.00 0.00 178.31 178.15 1nl3 h ALA 239 N 1.71 1.20 0.28 2.45 0.00 -0.54 -0.82 119.26 123.54 1nl3 h ALA 239 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1nl3 h ALA 239 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nl3 h ALA 239 CO 0.02 0.55 -0.13 -0.09 0.00 0.00 0.00 179.25 179.60 1nl3 h ARG 240 N 0.84 -0.36 -0.02 0.00 2.43 -1.47 -3.33 114.38 112.48 1nl3 h ARG 240 Ca 0.19 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1nl3 h ARG 240 Cb 0.28 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1nl3 h ARG 240 CO -0.00 -0.06 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.10 1nl3 h LEU 241 N -0.65 0.03 -0.30 3.80 3.38 -1.21 -3.28 115.31 117.07 1nl3 h LEU 241 Ca -0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1nl3 h LEU 241 Cb 0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1nl3 h LEU 241 CO 0.06 0.25 0.19 0.00 0.09 0.00 0.00 178.44 179.03 1nl3 h ALA 242 N 1.75 0.38 -0.17 1.53 0.00 -1.25 -2.90 119.26 118.60 1nl3 h ALA 242 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1nl3 h ALA 242 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1nl3 h ALA 242 CO 0.03 -0.17 -0.44 -1.00 0.00 0.00 0.00 179.25 177.66 1nl3 h PRO 243 N 0.38 0.41 0.00 0.00 0.13 -1.73 -2.88 132.00 128.31 1nl3 h PRO 243 Ca 0.12 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1nl3 h PRO 243 Cb -0.02 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1nl3 h PRO 243 CO -0.04 0.78 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.42 1nl3 h LEU 244 N 0.33 0.00-10.02 1.56 3.38 -1.61 -3.42 115.31 105.53 1nl3 h LEU 244 Ca 0.02 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.51 1nl3 h LEU 244 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1nl3 h LEU 244 CO 0.08 0.01 0.15 -0.04 0.09 0.00 0.00 178.44 178.73 1nl3 s MET 245 N -4.40 4.07 -0.14 1.13 -1.94 -1.09 -5.07 119.30 111.86 1nl3 s MET 245 Ca -0.05 0.78 0.02 0.00 -1.71 0.00 0.00 55.69 54.73 1nl3 s MET 245 Cb 0.14 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.59 1nl3 s MET 245 CO 0.50 0.13 -0.20 -2.00 -0.01 0.00 0.00 175.02 173.44 1nl3 s GLU 246 N -2.97 3.09 0.39 2.03 2.12 -1.26 -5.00 118.70 117.10 1nl3 s GLU 246 Ca 0.55 -0.82 -0.26 0.00 0.36 0.00 0.00 54.97 54.80 1nl3 s GLU 246 Cb -0.10 -2.48 -0.11 0.00 0.26 0.00 0.00 34.13 31.70 1nl3 s GLU 246 CO 0.17 0.03 1.28 1.17 -0.54 0.00 0.00 175.26 177.36 1nl3 n LYS 247 N 3.97 2.02 0.00 4.30 4.81 -1.26 -0.17 118.16 131.82 1nl3 n LYS 247 Ca -0.20 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1nl3 n LYS 247 Cb 0.52 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1nl3 n LYS 247 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nl3 n ASP 248 N 0.43 0.00 -0.07 3.14 8.00 0.15 -4.64 116.55 123.56 1nl3 n ASP 248 Ca 0.06 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.50 1nl3 n ASP 248 Cb 0.38 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 1nl3 n ASP 248 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nl3 n VAL 249 N -1.63 1.37 -0.01 2.53 0.31 -0.80 -4.74 118.33 115.36 1nl3 n VAL 249 Ca 0.00 0.20 -0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1nl3 n VAL 249 Cb 0.00 -2.33 -0.12 0.00 -0.91 0.00 0.00 33.84 30.48 1nl3 n VAL 249 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1nl3 n HIS 250 N -4.43 0.84 -3.85 3.52 8.25 0.76 -4.66 115.22 115.65 1nl3 n HIS 250 Ca -0.09 0.29 -0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1nl3 n HIS 250 Cb 0.35 -1.10 -0.05 0.00 1.12 0.00 0.00 29.99 30.31 1nl3 n HIS 250 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1nl3 s TYR 251 N -2.76 0.14 -0.07 4.41 1.13 -1.25 0.58 117.35 119.54 1nl3 s TYR 251 Ca -0.05 -0.50 -0.01 0.00 -1.41 0.00 0.00 57.07 55.11 1nl3 s TYR 251 Cb 0.08 0.16 0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1nl3 s TYR 251 CO 0.82 -0.81 -0.02 -2.00 -2.51 0.00 0.00 175.55 171.03 1nl3 s GLU 252 N -3.92 0.78 0.31 -3.49 2.12 -0.11 0.33 118.70 114.72 1nl3 s GLU 252 Ca 0.13 0.01 -0.14 0.00 0.36 0.00 0.00 54.97 55.33 1nl3 s GLU 252 Cb 0.01 -1.02 -0.09 0.00 0.26 0.00 0.00 34.13 33.30 1nl3 s GLU 252 CO -0.02 -0.25 0.72 0.08 -0.54 0.00 0.00 175.26 175.25 1nl3 s VAL 253 N 1.69 4.70 -0.38 3.70 1.01 -1.26 -1.01 120.40 128.86 1nl3 s VAL 253 Ca 0.01 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1nl3 s VAL 253 Cb -0.13 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.75 1nl3 s VAL 253 CO -0.04 -0.18 0.13 -0.62 0.00 0.00 0.00 175.10 174.39 1nl3 s ASP 254 N -2.29 4.25 0.31 3.32 -1.08 0.16 -4.97 116.67 116.37 1nl3 s ASP 254 Ca 0.54 -2.21 0.20 0.00 -0.52 0.00 0.00 52.55 50.55 1nl3 s ASP 254 Cb -0.10 -1.27 1.10 0.00 -1.46 0.00 0.00 42.92 41.18 1nl3 s ASP 254 CO 0.18 -0.35 1.61 0.18 0.52 0.00 0.00 175.17 177.31 1nl3 n LEU 255 N 4.13 0.52 -0.11 -1.34 4.32 -1.26 -2.09 117.00 121.17 1nl3 n LEU 255 Ca 0.03 0.74 -0.20 0.00 -0.02 0.00 0.00 56.01 56.56 1nl3 n LEU 255 Cb 0.39 -0.80 -0.08 0.00 -1.62 0.00 0.00 43.42 41.31 1nl3 n LEU 255 CO 0.21 -0.92 -0.92 0.54 -1.22 0.00 0.00 177.39 175.08 1nl3 n ARG 256 N -2.21 0.55 0.00 3.23 5.12 -1.26 -4.40 116.66 117.69 1nl3 n ARG 256 Ca -0.01 0.36 0.13 0.00 -1.93 0.00 0.00 57.85 56.39 1nl3 n ARG 256 Cb 0.05 -1.57 0.60 0.00 -1.16 0.00 0.00 32.46 30.38 1nl3 n ARG 256 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1nl3 n LYS 257 N -4.39 0.16 -2.95 5.56 4.76 -1.18 -4.92 118.16 115.19 1nl3 n LYS 257 Ca -0.35 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.02 1nl3 n LYS 257 Cb 0.68 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.43 1nl3 n LYS 257 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nl3 n ARG 258 N -1.41 -3.98 -4.11 1.97 5.12 -0.89 -5.04 116.66 108.32 1nl3 n ARG 258 Ca 0.09 0.61 -0.15 0.00 -1.93 0.00 0.00 57.85 56.47 1nl3 n ARG 258 Cb 0.26 -4.83 -0.11 0.00 -1.16 0.00 0.00 32.46 26.62 1nl3 n ARG 258 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1nl3 s THR 259 N -3.26 0.75 0.00 0.55 -1.32 -1.09 -5.01 115.64 106.26 1nl3 s THR 259 Ca 0.08 -1.25 0.03 0.00 -1.21 0.00 0.00 61.69 59.34 1nl3 s THR 259 Cb -0.01 -0.88 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1nl3 s THR 259 CO 0.52 -0.38 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.76 1nl3 s VAL 260 N -1.58 0.77 -0.10 5.08 1.01 -1.26 -0.66 120.40 123.66 1nl3 s VAL 260 Ca -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1nl3 s VAL 260 Cb -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1nl3 s VAL 260 CO 0.01 0.15 -0.13 -0.83 0.00 0.00 0.00 175.10 174.29 1nl3 s GLY 261 N -0.42 0.94 -0.09 4.51 0.00 -0.18 -4.99 107.32 107.09 1nl3 s GLY 261 Ca 0.03 -0.61 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 1nl3 s GLY 261 CO -0.00 0.29 0.87 0.14 0.00 0.00 0.00 173.10 174.40 1nl3 s VAL 262 N 1.01 4.90 0.46 1.40 1.01 -1.26 -0.93 120.40 126.98 1nl3 s VAL 262 Ca -0.07 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 1nl3 s VAL 262 Cb -0.15 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1nl3 s VAL 262 CO -0.01 0.11 1.03 -1.00 0.00 0.00 0.00 175.10 175.22 1nl3 s HIS 263 N 1.54 3.11 0.00 5.22 3.76 0.20 -4.78 115.29 124.34 1nl3 s HIS 263 Ca 0.43 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.94 1nl3 s HIS 263 Cb -0.18 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1nl3 s HIS 263 CO 0.18 -0.66 0.00 0.39 -0.85 0.00 0.00 174.74 173.80 1nl3 n GLU 264 N -0.70 0.00 -0.03 1.40 -0.58 -1.26 -0.16 120.64 119.31 1nl3 n GLU 264 Ca 0.08 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 1nl3 n GLU 264 Cb 0.52 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.29 1nl3 n GLU 264 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1nl3 h LYS 265 N 0.00 0.29 -0.20 3.49 1.57 -1.86 -3.04 116.57 116.84 1nl3 h LYS 265 Ca 0.00 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1nl3 h LYS 265 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1nl3 h LYS 265 CO 0.00 0.92 -0.21 0.78 -0.57 0.00 0.00 179.45 180.37 1nl3 h GLY 266 N -0.24 -0.14 -0.17 3.86 0.00 -0.57 0.23 103.07 106.03 1nl3 h GLY 266 Ca -0.03 0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.70 1nl3 h GLY 266 CO 0.07 -0.19 -0.06 -2.08 0.00 0.00 0.00 176.54 174.28 1nl3 h VAL 267 N -0.24 0.43 -0.01 4.60 2.07 -1.41 0.16 116.25 121.84 1nl3 h VAL 267 Ca 0.12 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 1nl3 h VAL 267 Cb 0.42 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1nl3 h VAL 267 CO -0.33 0.01 -0.42 -0.08 0.02 0.00 0.00 177.57 176.76 1nl3 h GLU 268 N 0.07 0.02 -0.06 1.57 4.81 -1.33 -0.12 114.58 119.54 1nl3 h GLU 268 Ca 0.33 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1nl3 h GLU 268 Cb 0.53 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1nl3 h GLU 268 CO -0.59 0.44 0.03 0.35 -0.73 0.00 0.00 179.01 178.52 1nl3 h PHE 269 N 0.02 0.09 -0.56 0.92 3.57 0.14 -0.64 116.94 120.48 1nl3 h PHE 269 Ca -0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1nl3 h PHE 269 Cb 0.76 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1nl3 h PHE 269 CO 0.00 0.15 -0.10 0.28 -2.23 0.00 0.00 178.31 176.41 1nl3 h VAL 270 N 0.00 1.27 -0.22 1.41 2.07 -1.07 -1.26 116.25 118.44 1nl3 h VAL 270 Ca 0.02 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.34 1nl3 h VAL 270 Cb 0.09 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1nl3 h VAL 270 CO -0.00 0.45 -0.25 -0.33 0.02 0.00 0.00 177.57 177.45 1nl3 h GLU 271 N 0.93 -0.26 -0.28 1.57 5.08 -0.84 -1.91 114.58 118.86 1nl3 h GLU 271 Ca 0.15 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1nl3 h GLU 271 Cb 0.67 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1nl3 h GLU 271 CO 0.05 -0.17 0.04 -0.44 -1.00 0.00 0.00 179.01 177.49 1nl3 h ASP 272 N -0.27 0.45 -0.98 1.42 3.32 -0.97 0.18 116.42 119.57 1nl3 h ASP 272 Ca 0.13 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 56.99 1nl3 h ASP 272 Cb 0.47 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.83 1nl3 h ASP 272 CO -0.38 0.60 0.63 1.56 -1.72 0.00 0.00 179.24 179.94 1nl3 h GLN 273 N 0.28 1.08 0.00 3.56 1.08 -0.92 -1.16 115.11 119.03 1nl3 h GLN 273 Ca 0.09 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1nl3 h GLN 273 Cb 0.34 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1nl3 h GLN 273 CO 0.01 0.71 -1.11 1.28 -0.95 0.00 0.00 178.83 178.77 1nl3 n LEU 274 N -4.51 0.70 -1.62 1.46 4.77 -0.75 -5.00 117.00 112.05 1nl3 n LEU 274 Ca 0.15 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 1nl3 n LEU 274 Cb 0.21 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1nl3 n LEU 274 CO 0.32 -0.13 0.01 0.61 -1.33 0.00 0.00 177.39 176.86 1nl3 n GLY 275 N 1.22 0.54 3.13 -0.72 0.00 0.41 -5.07 105.19 104.71 1nl3 n GLY 275 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1nl3 n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nl3 s ILE 276 N -3.05 0.16 -0.12 -0.61 1.09 -0.00 -5.02 121.20 113.65 1nl3 s ILE 276 Ca 0.04 -1.79 0.11 0.00 -1.10 0.00 0.00 60.65 57.91 1nl3 s ILE 276 Cb -0.01 -1.72 -0.15 0.00 -1.06 0.00 0.00 42.46 39.52 1nl3 s ILE 276 CO 0.10 -0.74 0.05 0.47 -0.10 0.00 0.00 174.94 174.72 1nl3 n ASP 277 N 0.01 1.97 -3.87 3.58 9.92 -1.26 -4.44 116.55 122.46 1nl3 n ASP 277 Ca -0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.04 1nl3 n ASP 277 Cb 0.62 0.82 -0.13 0.00 -0.64 0.00 0.00 41.12 41.79 1nl3 n ASP 277 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1nl3 s ASN 278 N -4.49 -0.02 0.04 -2.24 3.84 -1.26 -5.03 114.94 105.77 1nl3 s ASN 278 Ca -0.06 0.02 0.19 0.00 0.21 0.00 0.00 52.86 53.23 1nl3 s ASN 278 Cb 0.04 0.15 0.81 0.00 -0.55 0.00 0.00 41.25 41.70 1nl3 s ASN 278 CO 0.50 -0.10 1.61 0.18 -2.79 0.00 0.00 177.10 176.50 1nl3 n LEU 279 N 2.66 0.12 -1.43 3.21 4.77 -1.26 -1.36 117.00 123.71 1nl3 n LEU 279 Ca -0.15 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.45 1nl3 n LEU 279 Cb 0.58 -0.50 0.33 0.00 -2.33 0.00 0.00 43.42 41.50 1nl3 n LEU 279 CO 0.23 -0.23 0.79 -1.22 -1.33 0.00 0.00 177.39 175.63 1nl3 n TYR 280 N -1.62 1.27 0.09 -1.77 4.01 -1.26 -3.87 117.16 114.01 1nl3 n TYR 280 Ca 0.04 -0.59 -0.07 0.00 -0.16 0.00 0.00 57.90 57.13 1nl3 n TYR 280 Cb 0.23 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 39.10 1nl3 n TYR 280 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1nl3 h GLU 281 N 3.87 0.12 -5.12 -0.72 4.11 -1.36 -3.19 114.58 112.29 1nl3 h GLU 281 Ca 0.00 -0.13 -0.64 0.00 0.07 0.00 0.00 59.36 58.66 1nl3 h GLU 281 Cb 1.29 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.42 1nl3 h GLU 281 CO 0.16 0.88 -0.18 0.00 0.07 0.00 0.00 179.01 179.93 1nl3 s ALA 282 N -3.24 3.51 -0.08 1.06 0.00 -1.26 -0.19 121.76 121.56 1nl3 s ALA 282 Ca -0.02 -1.01 -0.34 0.00 0.00 0.00 0.00 51.96 50.59 1nl3 s ALA 282 Cb 0.11 -2.86 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 1nl3 s ALA 282 CO 0.81 -0.99 1.86 0.00 0.00 0.00 0.00 175.76 177.44 1nl3 n ALA 283 N 5.49 0.86 -1.37 0.00 0.00 -1.26 -2.08 120.51 122.16 1nl3 n ALA 283 Ca -0.07 0.30 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 1nl3 n ALA 283 Cb 0.50 -2.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 1nl3 n ALA 283 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nl3 n ASN 284 N 6.39 -2.27 -3.59 0.00 4.05 -1.26 -4.99 115.26 113.58 1nl3 n ASN 284 Ca 0.22 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.97 1nl3 n ASN 284 Cb 0.29 -0.50 -0.12 0.00 1.23 0.00 0.00 39.78 40.68 1nl3 n ASN 284 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1nl3 s SER 285 N -3.00 2.95 -1.07 1.20 0.01 -0.88 -5.02 113.70 107.89 1nl3 s SER 285 Ca 0.00 -2.97 -0.13 0.00 1.31 0.00 0.00 55.95 54.16 1nl3 s SER 285 Cb 0.00 -0.84 -0.08 0.00 0.21 0.00 0.00 66.02 65.32 1nl3 s SER 285 CO 0.00 -0.20 2.20 -0.81 0.41 0.00 0.00 173.24 174.84 1nl3 n PRO 286 N 3.04 2.27 0.07 12.44 -0.04 -1.26 -4.68 135.00 146.84 1nl3 n PRO 286 Ca 0.19 -1.88 0.19 0.00 -0.04 0.00 0.00 63.50 61.96 1nl3 n PRO 286 Cb 0.40 -2.79 0.73 0.00 -0.04 0.00 0.00 33.50 31.80 1nl3 n PRO 286 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nl3 h LEU 287 N 10.16 0.00 -0.28 1.53 3.38 -1.92 0.45 115.31 128.63 1nl3 h LEU 287 Ca 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 1nl3 h LEU 287 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1nl3 h LEU 287 CO 1.74 0.00 0.09 0.58 0.09 0.00 0.00 178.44 180.94 1nl3 h VAL 288 N 0.00 1.20 -0.03 1.22 2.07 -1.84 -1.44 116.25 117.42 1nl3 h VAL 288 Ca 0.20 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1nl3 h VAL 288 Cb 0.89 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1nl3 h VAL 288 CO -0.00 0.21 0.02 0.28 0.02 0.00 0.00 177.57 178.09 1nl3 h SER 289 N 0.29 0.05 -0.35 0.57 0.02 -1.33 -1.74 113.55 111.06 1nl3 h SER 289 Ca 0.09 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1nl3 h SER 289 Cb 0.24 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1nl3 h SER 289 CO -0.00 0.17 0.04 1.88 -1.14 0.00 0.00 176.83 177.77 1nl3 h TYR 290 N -0.08 0.05 -0.28 3.45 0.05 -1.35 -1.64 116.97 117.17 1nl3 h TYR 290 Ca 0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1nl3 h TYR 290 Cb 0.14 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1nl3 h TYR 290 CO -0.03 -0.02 0.17 1.25 -1.05 0.00 0.00 178.16 178.48 1nl3 h LEU 291 N 0.15 0.34 -1.36 3.88 5.85 -1.18 -1.32 115.31 121.66 1nl3 h LEU 291 Ca 0.17 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1nl3 h LEU 291 Cb 0.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1nl3 h LEU 291 CO -0.25 0.29 0.25 -1.13 -0.34 0.00 0.00 178.44 177.26 1nl3 h ASN 292 N 0.35 0.61 -0.30 1.25 -0.73 -1.08 -2.12 115.58 113.56 1nl3 h ASN 292 Ca 0.10 -0.05 -0.09 0.00 1.87 0.00 0.00 56.30 58.13 1nl3 h ASN 292 Cb 0.02 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1nl3 h ASN 292 CO -0.02 0.51 -0.18 0.78 -0.37 0.00 0.00 177.43 178.16 1nl3 h ASN 293 N 0.69 0.68 -0.56 1.15 -0.26 -0.86 -1.20 115.58 115.23 1nl3 h ASN 293 Ca 0.17 -0.42 0.05 0.00 -0.56 0.00 0.00 56.30 55.54 1nl3 h ASN 293 Cb 0.06 -0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.08 1nl3 h ASN 293 CO -0.03 0.96 0.29 0.00 -1.06 0.00 0.00 177.43 177.59 1nl3 h ALA 294 N 0.75 0.72 0.04 -0.83 0.00 -0.95 0.53 119.26 119.52 1nl3 h ALA 294 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nl3 h ALA 294 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nl3 h ALA 294 CO 0.05 -0.05 -0.02 -0.07 0.00 0.00 0.00 179.25 179.17 1nl3 h LEU 295 N 0.56 -0.05 -0.45 0.00 3.38 -1.33 0.19 115.31 117.61 1nl3 h LEU 295 Ca 0.25 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1nl3 h LEU 295 Cb 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1nl3 h LEU 295 CO -0.16 0.17 -0.04 0.11 0.09 0.00 0.00 178.44 178.61 1nl3 h LYS 296 N -0.26 0.07 -0.42 1.13 1.57 -0.90 0.89 116.57 118.65 1nl3 h LYS 296 Ca -0.01 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1nl3 h LYS 296 Cb 0.24 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 1nl3 h LYS 296 CO 0.01 0.05 -0.18 0.00 -0.57 0.00 0.00 179.45 178.75 1nl3 h ALA 297 N 1.41 0.14 -0.14 3.86 0.00 0.39 0.19 119.26 125.13 1nl3 h ALA 297 Ca 0.22 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1nl3 h ALA 297 Cb 0.33 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nl3 h ALA 297 CO -0.40 -0.54 -0.01 -0.22 0.00 0.00 0.00 179.25 178.08 1nl3 h LYS 298 N -0.10 0.04 0.00 0.00 3.64 0.11 -3.30 116.57 116.96 1nl3 h LYS 298 Ca 0.20 -0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.26 1nl3 h LYS 298 Cb 0.41 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1nl3 h LYS 298 CO -0.48 0.02 -2.28 0.39 -2.27 0.00 0.00 179.45 174.83 1nl3 n GLU 299 N -5.13 0.87 0.00 1.90 -0.58 0.13 -4.65 120.64 113.18 1nl3 n GLU 299 Ca -0.04 -0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.73 1nl3 n GLU 299 Cb 0.08 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 1nl3 n GLU 299 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nl3 n LEU 300 N -2.67 0.64 -4.01 -4.62 7.99 0.65 -4.92 117.00 110.05 1nl3 n LEU 300 Ca -0.29 -0.56 -0.24 0.00 -0.01 0.00 0.00 56.01 54.91 1nl3 n LEU 300 Cb 1.08 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 44.22 1nl3 n LEU 300 CO 0.41 0.15 -0.46 -0.36 -1.51 0.00 0.00 177.39 175.61 1nl3 s PHE 301 N -1.82 1.40 -0.23 -1.77 0.40 -1.21 -5.02 117.98 109.74 1nl3 s PHE 301 Ca 0.05 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1nl3 s PHE 301 Cb 0.08 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 1nl3 s PHE 301 CO 0.38 -0.28 -0.01 -1.12 0.70 0.00 0.00 175.22 174.88 1nl3 s SER 302 N 0.73 4.53 0.25 1.36 0.01 -1.26 -4.80 113.70 114.52 1nl3 s SER 302 Ca -0.13 -0.38 -0.31 0.00 1.31 0.00 0.00 55.95 56.43 1nl3 s SER 302 Cb -0.16 -1.79 -0.13 0.00 0.21 0.00 0.00 66.02 64.16 1nl3 s SER 302 CO 0.03 -0.04 1.42 -1.14 0.41 0.00 0.00 173.24 173.92 1nl3 n ARG 303 N 4.83 2.08 -0.75 12.44 0.63 -1.26 -0.56 116.66 134.06 1nl3 n ARG 303 Ca -0.17 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1nl3 n ARG 303 Cb 0.51 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.01 1nl3 n ARG 303 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1nl3 n ASP 304 N 2.12 0.00 -0.02 6.15 8.00 0.22 -4.73 116.55 128.30 1nl3 n ASP 304 Ca 0.11 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.58 1nl3 n ASP 304 Cb 0.32 -1.04 -0.01 0.00 -0.02 0.00 0.00 41.12 40.37 1nl3 n ASP 304 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nl3 n LYS 305 N -2.00 0.19 0.05 -1.24 4.01 -0.90 -4.87 118.16 113.41 1nl3 n LYS 305 Ca 0.00 0.07 -0.11 0.00 -0.51 0.00 0.00 58.31 57.76 1nl3 n LYS 305 Cb 0.00 -0.75 -0.13 0.00 -0.51 0.00 0.00 35.03 33.63 1nl3 n LYS 305 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1nl3 h ASP 306 N -0.35 0.17 -5.15 4.39 3.32 -1.10 -3.41 116.42 114.28 1nl3 h ASP 306 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1nl3 h ASP 306 Cb 0.35 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1nl3 h ASP 306 CO 0.00 1.17 -0.01 -0.72 -1.72 0.00 0.00 179.24 177.96 1nl3 s TYR 307 N -2.66 0.14 0.26 4.55 -0.85 -1.20 -2.35 117.35 115.23 1nl3 s TYR 307 Ca -0.03 -0.52 0.04 0.00 -0.52 0.00 0.00 57.07 56.04 1nl3 s TYR 307 Cb 0.08 0.35 -0.06 0.00 0.38 0.00 0.00 41.96 42.71 1nl3 s TYR 307 CO 0.84 -1.03 -0.01 0.96 -1.52 0.00 0.00 175.55 174.79 1nl3 s ILE 308 N -3.96 1.21 -0.11 -3.49 -4.36 0.09 0.73 121.20 111.29 1nl3 s ILE 308 Ca 0.17 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1nl3 s ILE 308 Cb -0.02 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.22 1nl3 s ILE 308 CO 0.06 -0.27 -0.08 -0.69 0.24 0.00 0.00 174.94 174.21 1nl3 s VAL 309 N -3.30 3.56 0.00 8.37 1.01 -1.26 -1.42 120.40 127.36 1nl3 s VAL 309 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1nl3 s VAL 309 Cb 0.06 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1nl3 s VAL 309 CO 0.11 0.54 0.00 -1.14 0.00 0.00 0.00 175.10 174.61 1nl3 n ARG 310 N 3.03 0.00 -2.54 2.72 3.00 -1.11 -4.97 116.66 116.79 1nl3 n ARG 310 Ca -0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.33 1nl3 n ARG 310 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1nl3 n ARG 310 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nl3 n ASP 311 N 0.00 6.15 -0.07 6.15 8.00 -1.26 -4.73 116.55 130.80 1nl3 n ASP 311 Ca 0.00 -3.73 -0.01 0.00 0.71 0.00 0.00 54.79 51.76 1nl3 n ASP 311 Cb 0.00 -0.86 -0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1nl3 n ASP 311 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nl3 n GLY 312 N -0.29 0.43 3.39 0.44 0.00 -1.26 -5.08 105.19 102.83 1nl3 n GLY 312 Ca 0.43 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 1nl3 n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nl3 s GLU 313 N -2.27 1.44 -0.25 1.61 0.41 -1.26 -4.82 118.70 113.57 1nl3 s GLU 313 Ca 0.00 -1.57 -0.11 0.00 -0.41 0.00 0.00 54.97 52.88 1nl3 s GLU 313 Cb 0.00 -1.48 -0.05 0.00 -1.78 0.00 0.00 34.13 30.82 1nl3 s GLU 313 CO 0.00 0.29 0.19 0.08 -0.49 0.00 0.00 175.26 175.33 1nl3 s VAL 314 N -2.34 5.33 -0.19 2.63 1.01 -1.26 -2.76 120.40 122.82 1nl3 s VAL 314 Ca 0.22 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 1nl3 s VAL 314 Cb -0.05 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1nl3 s VAL 314 CO 0.10 0.32 -0.16 -0.76 0.00 0.00 0.00 175.10 174.59 1nl3 s LEU 315 N 1.24 2.33 0.15 3.92 1.43 -0.50 -4.97 118.68 122.27 1nl3 s LEU 315 Ca 0.09 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1nl3 s LEU 315 Cb -0.14 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 1nl3 s LEU 315 CO 0.06 -0.00 1.21 -0.63 0.23 0.00 0.00 176.35 177.21 1nl3 s ILE 316 N 1.33 3.67 0.09 -0.59 1.01 -1.26 -0.73 121.20 124.71 1nl3 s ILE 316 Ca 0.05 1.34 0.10 0.00 0.00 0.00 0.00 60.65 62.14 1nl3 s ILE 316 Cb -0.13 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1nl3 s ILE 316 CO -0.10 0.18 -0.26 0.68 0.00 0.00 0.00 174.94 175.44 1nl3 s VAL 317 N 0.29 2.12 0.42 2.92 -7.23 -0.99 -0.64 120.40 117.28 1nl3 s VAL 317 Ca 0.55 -1.54 -0.26 0.00 -1.81 0.00 0.00 61.98 58.91 1nl3 s VAL 317 Cb -0.32 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 1nl3 s VAL 317 CO 0.34 0.20 1.40 -0.62 -0.31 0.00 0.00 175.10 176.12 1nl3 s ASP 318 N -1.63 6.12 0.11 4.85 2.15 -1.00 -4.52 116.67 122.74 1nl3 s ASP 318 Ca 0.12 2.87 -0.22 0.00 0.43 0.00 0.00 52.55 55.76 1nl3 s ASP 318 Cb -0.10 -2.65 -0.05 0.00 -0.30 0.00 0.00 42.92 39.82 1nl3 s ASP 318 CO 0.04 -1.00 1.37 -0.08 -0.17 0.00 0.00 175.17 175.33 1nl3 h GLU 319 N 2.60 -0.00 -2.62 4.34 4.22 -1.92 -2.67 114.58 118.54 1nl3 h GLU 319 Ca -0.50 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.37 1nl3 h GLU 319 Cb 1.25 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.11 1nl3 h GLU 319 CO 0.62 -0.00 -0.83 0.12 -2.18 0.00 0.00 179.01 176.74 1nl3 s PHE 320 N -4.74 0.62 0.00 0.92 5.36 -1.26 -4.63 117.98 114.25 1nl3 s PHE 320 Ca -0.08 -1.45 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 1nl3 s PHE 320 Cb 0.08 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.86 1nl3 s PHE 320 CO 0.43 -0.83 0.00 2.41 -1.46 0.00 0.00 175.22 175.77 1nl3 n THR 321 N 4.31 0.00 -0.81 0.12 -1.04 -1.22 -5.03 114.28 110.60 1nl3 n THR 321 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1nl3 n THR 321 Cb 0.38 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1nl3 n THR 321 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nl3 n GLY 322 N 2.39 1.00 3.82 3.41 0.00 -1.01 -4.99 105.19 109.82 1nl3 n GLY 322 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1nl3 n GLY 322 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nl3 s ARG 323 N -0.15 4.20 -0.71 1.61 3.03 -1.26 -4.66 118.95 121.00 1nl3 s ARG 323 Ca 0.00 0.91 -0.26 0.00 2.03 0.00 0.00 55.73 58.41 1nl3 s ARG 323 Cb 0.00 -2.56 -0.03 0.00 -1.03 0.00 0.00 34.95 31.34 1nl3 s ARG 323 CO 0.00 0.20 1.87 0.08 -1.13 0.00 0.00 175.30 176.32 1nl3 s VAL 324 N -1.84 3.40 -1.04 4.99 1.01 -1.26 -2.39 120.40 123.27 1nl3 s VAL 324 Ca 0.52 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1nl3 s VAL 324 Cb -0.13 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1nl3 s VAL 324 CO 0.18 -0.96 1.93 -0.76 0.00 0.00 0.00 175.10 175.49 1nl3 s LEU 325 N 9.26 3.14 0.67 3.92 1.43 0.19 -4.93 118.68 132.36 1nl3 s LEU 325 Ca 0.67 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1nl3 s LEU 325 Cb -0.10 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1nl3 s LEU 325 CO 0.13 -2.84 1.07 -0.51 0.23 0.00 0.00 176.35 174.43 1nl3 s ILE 326 N 10.27 3.76 0.00 -0.59 1.10 -1.26 -3.79 121.20 130.69 1nl3 s ILE 326 Ca 0.68 0.68 0.00 0.00 -0.51 0.00 0.00 60.65 61.50 1nl3 s ILE 326 Cb -0.04 -3.28 0.00 0.00 0.15 0.00 0.00 42.46 39.29 1nl3 s ILE 326 CO 0.05 -0.64 0.00 0.61 -2.11 0.00 0.00 174.94 172.85 1nl3 n GLY 327 N -1.38 2.08 3.57 1.50 0.00 -1.26 -5.02 105.19 104.69 1nl3 n GLY 327 Ca 0.08 -0.56 -0.51 0.00 0.00 0.00 0.00 46.02 45.04 1nl3 n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nl3 n ARG 328 N 0.00 1.05 -4.59 1.61 1.74 -1.25 -4.92 116.66 110.31 1nl3 n ARG 328 Ca 0.00 0.38 -0.27 0.00 -0.77 0.00 0.00 57.85 57.19 1nl3 n ARG 328 Cb 0.00 -1.93 -0.09 0.00 -1.02 0.00 0.00 32.46 29.42 1nl3 n ARG 328 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1nl3 s ARG 329 N 0.03 1.95 0.75 5.56 0.52 -1.26 -4.47 118.95 122.03 1nl3 s ARG 329 Ca 0.79 -2.17 -0.11 0.00 -0.52 0.00 0.00 55.73 53.72 1nl3 s ARG 329 Cb -0.93 -1.10 0.05 0.00 0.52 0.00 0.00 34.95 33.49 1nl3 s ARG 329 CO 0.50 -0.31 1.13 0.71 0.02 0.00 0.00 175.30 177.35 1nl3 s TYR 330 N -3.06 3.12 0.15 -0.53 2.02 -1.26 -5.03 117.35 112.77 1nl3 s TYR 330 Ca 0.23 0.86 0.06 0.00 -0.37 0.00 0.00 57.07 57.86 1nl3 s TYR 330 Cb 0.05 -3.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 1nl3 s TYR 330 CO 0.12 -1.48 0.04 -0.80 -1.57 0.00 0.00 175.55 171.86 1nl3 s ASN 331 N -4.47 5.08 -1.20 2.29 0.01 -1.26 -4.25 114.94 111.14 1nl3 s ASN 331 Ca 0.60 -0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 52.46 1nl3 s ASN 331 Cb -0.11 -1.20 0.00 0.00 0.41 0.00 0.00 41.25 40.35 1nl3 s ASN 331 CO 0.50 0.10 1.02 -0.62 -1.51 0.00 0.00 177.10 176.59 1nl3 n GLU 332 N -0.02 -6.82 -0.60 -0.60 1.02 -1.26 -2.04 120.64 110.32 1nl3 n GLU 332 Ca -0.09 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1nl3 n GLU 332 Cb 0.54 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 1nl3 n GLU 332 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nl3 n GLY 333 N -1.46 1.73 0.24 0.62 0.00 -1.26 -4.89 105.19 100.18 1nl3 n GLY 333 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1nl3 n GLY 333 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nl3 h MET 334 N 2.66 0.33 0.20 1.61 2.86 -1.68 -1.32 114.93 119.59 1nl3 h MET 334 Ca 0.00 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1nl3 h MET 334 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1nl3 h MET 334 CO 0.00 0.46 -0.10 1.25 1.06 0.00 0.00 176.91 179.58 1nl3 h HIS 335 N 0.31 -0.25 -0.74 -0.22 2.76 -1.80 0.11 115.15 115.32 1nl3 h HIS 335 Ca 0.06 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.35 1nl3 h HIS 335 Cb 0.42 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.37 1nl3 h HIS 335 CO 0.01 0.02 0.33 1.96 -1.30 0.00 0.00 177.93 178.95 1nl3 h GLN 336 N -0.51 0.50 -0.19 5.26 7.50 -1.90 0.15 115.11 125.92 1nl3 h GLN 336 Ca -0.03 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.12 1nl3 h GLN 336 Cb 0.39 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.77 1nl3 h GLN 336 CO 0.05 0.33 0.01 0.00 -1.50 0.00 0.00 178.83 177.72 1nl3 h ALA 337 N 1.50 0.17 -0.54 3.87 0.00 -0.76 0.08 119.26 123.58 1nl3 h ALA 337 Ca 0.39 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1nl3 h ALA 337 Cb 0.52 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1nl3 h ALA 337 CO -0.34 -0.42 0.03 0.82 0.00 0.00 0.00 179.25 179.34 1nl3 h ILE 338 N 0.08 1.26 -0.26 0.00 2.04 -0.31 -1.01 117.51 119.32 1nl3 h ILE 338 Ca 0.09 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 64.95 1nl3 h ILE 338 Cb 0.10 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1nl3 h ILE 338 CO -0.14 0.38 -0.08 -0.33 0.00 0.00 0.00 178.15 177.98 1nl3 h GLU 339 N 0.81 -0.02 -0.68 2.37 5.08 -0.42 -1.33 114.58 120.38 1nl3 h GLU 339 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1nl3 h GLU 339 Cb 0.48 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1nl3 h GLU 339 CO 0.02 -0.02 0.37 0.00 -1.00 0.00 0.00 179.01 178.39 1nl3 h ALA 340 N 1.23 0.87 -0.97 3.43 0.00 -0.76 -2.04 119.26 121.02 1nl3 h ALA 340 Ca 0.13 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1nl3 h ALA 340 Cb 0.22 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 1nl3 h ALA 340 CO -0.28 0.39 0.61 -0.22 0.00 0.00 0.00 179.25 179.75 1nl3 h LYS 341 N 0.94 0.66 -0.82 0.00 3.64 -0.47 -1.17 116.57 119.34 1nl3 h LYS 341 Ca 0.24 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 1nl3 h LYS 341 Cb 0.04 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.62 1nl3 h LYS 341 CO -0.04 0.44 0.21 0.39 -2.27 0.00 0.00 179.45 178.18 1nl3 n GLU 342 N -4.66 3.05 -4.18 1.90 -0.58 -0.57 -4.92 120.64 110.68 1nl3 n GLU 342 Ca 0.21 -2.29 -0.29 0.00 -0.42 0.00 0.00 57.16 54.37 1nl3 n GLU 342 Cb 0.58 -1.99 -0.07 0.00 -0.57 0.00 0.00 31.44 29.40 1nl3 n GLU 342 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nl3 n HIS 343 N -0.05 -1.42 -3.43 -0.32 8.25 -0.44 -4.89 115.22 112.92 1nl3 n HIS 343 Ca 0.31 0.67 -0.38 0.00 -0.26 0.00 0.00 57.72 58.06 1nl3 n HIS 343 Cb 1.14 -3.15 -0.06 0.00 1.12 0.00 0.00 29.99 29.03 1nl3 n HIS 343 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nl3 s VAL 344 N -4.19 5.14 0.05 1.59 1.01 -0.88 -5.02 120.40 118.10 1nl3 s VAL 344 Ca 0.03 0.84 -0.37 0.00 0.00 0.00 0.00 61.98 62.48 1nl3 s VAL 344 Cb -0.02 -3.74 -0.16 0.00 0.00 0.00 0.00 36.38 32.46 1nl3 s VAL 344 CO 0.96 0.44 1.46 1.21 0.00 0.00 0.00 175.10 179.17 1nl3 n GLU 345 N 2.88 1.38 -3.51 2.72 4.07 -1.26 -4.74 120.64 122.19 1nl3 n GLU 345 Ca -0.11 0.50 -0.42 0.00 -0.06 0.00 0.00 57.16 57.07 1nl3 n GLU 345 Cb 0.52 -2.18 -0.07 0.00 -0.06 0.00 0.00 31.44 29.65 1nl3 n GLU 345 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1nl3 s ILE 346 N 1.11 4.55 0.38 6.31 1.10 -1.26 -5.00 121.20 128.40 1nl3 s ILE 346 Ca 0.86 -2.21 -0.24 0.00 -0.51 0.00 0.00 60.65 58.54 1nl3 s ILE 346 Cb -0.91 -3.92 -0.09 0.00 0.15 0.00 0.00 42.46 37.69 1nl3 s ILE 346 CO 0.48 -0.87 1.03 -0.54 -2.11 0.00 0.00 174.94 172.93 1nl3 s LYS 347 N 0.74 4.25 0.27 3.50 3.01 -1.26 -5.03 119.74 125.22 1nl3 s LYS 347 Ca 0.11 1.49 -0.29 0.00 -1.01 0.00 0.00 55.97 56.27 1nl3 s LYS 347 Cb -0.21 -2.60 -0.09 0.00 -1.01 0.00 0.00 37.83 33.92 1nl3 s LYS 347 CO -0.03 -0.06 0.99 0.00 0.51 0.00 0.00 175.35 176.76 1nl3 s ALA 348 N -1.65 3.33 0.21 5.17 0.00 -1.26 -5.07 121.76 122.49 1nl3 s ALA 348 Ca 0.56 0.69 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1nl3 s ALA 348 Cb -0.22 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1nl3 s ALA 348 CO 0.27 0.09 -0.09 -1.21 0.00 0.00 0.00 175.76 174.81 1nl3 s GLU 349 N -1.43 1.30 0.05 0.00 0.41 -1.26 -5.05 118.70 112.72 1nl3 s GLU 349 Ca 0.44 -1.60 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1nl3 s GLU 349 Cb -0.26 -0.90 -0.04 0.00 -1.78 0.00 0.00 34.13 31.14 1nl3 s GLU 349 CO 0.33 0.08 0.17 -0.80 -0.49 0.00 0.00 175.26 174.55 1nl3 s ASN 350 N -3.30 6.12 0.12 -0.19 0.01 -1.26 -1.03 114.94 115.41 1nl3 s ASN 350 Ca 0.23 0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 52.56 1nl3 s ASN 350 Cb 0.02 -1.83 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 1nl3 s ASN 350 CO 0.06 0.18 0.08 0.00 -1.51 0.00 0.00 177.10 175.92 1nl3 s GLN 351 N -2.39 0.89 0.24 -0.60 -2.07 0.21 -4.83 119.66 111.12 1nl3 s GLN 351 Ca 0.32 -1.33 -0.31 0.00 -1.82 0.00 0.00 55.36 52.22 1nl3 s GLN 351 Cb -0.13 0.26 -0.12 0.00 -1.09 0.00 0.00 33.01 31.93 1nl3 s GLN 351 CO 0.25 -0.26 1.62 2.41 -1.32 0.00 0.00 175.29 177.99 1nl3 n THR 352 N -0.07 0.52 -0.04 3.63 -1.04 -1.26 -1.80 114.28 114.22 1nl3 n THR 352 Ca -0.08 -0.13 -0.04 0.00 -2.04 0.00 0.00 64.05 61.76 1nl3 n THR 352 Cb 0.63 -1.87 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 1nl3 n THR 352 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1nl3 n LEU 353 N 2.97 0.14 -3.53 -4.42 4.77 0.19 -4.55 117.00 112.56 1nl3 n LEU 353 Ca 0.13 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 1nl3 n LEU 353 Cb 0.34 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1nl3 n LEU 353 CO 0.64 0.21 0.49 0.00 -1.33 0.00 0.00 177.39 177.40 1nl3 s ALA 354 N -2.19 -1.80 -0.07 -1.18 0.00 -1.01 -4.99 121.76 110.53 1nl3 s ALA 354 Ca -0.04 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 1nl3 s ALA 354 Cb 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1nl3 s ALA 354 CO 0.31 -0.36 0.35 0.99 0.00 0.00 0.00 175.76 177.05 1nl3 s THR 355 N -1.12 0.03 -0.06 0.00 2.01 -1.26 -0.48 115.64 114.76 1nl3 s THR 355 Ca -0.09 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 1nl3 s THR 355 Cb -0.00 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.95 1nl3 s THR 355 CO 0.08 -0.13 0.22 -0.51 -0.69 0.00 0.00 174.62 173.60 1nl3 s ILE 356 N -0.61 0.03 0.66 1.82 2.07 -0.98 -5.01 121.20 119.18 1nl3 s ILE 356 Ca -0.07 -0.22 -0.13 0.00 -1.41 0.00 0.00 60.65 58.82 1nl3 s ILE 356 Cb -0.04 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 1nl3 s ILE 356 CO 0.03 -0.12 1.07 0.42 -1.91 0.00 0.00 174.94 174.42 1nl3 s THR 357 N -0.41 3.78 0.29 4.00 -4.23 -1.26 -0.86 115.64 116.96 1nl3 s THR 357 Ca -0.05 0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 61.15 1nl3 s THR 357 Cb -0.03 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.69 1nl3 s THR 357 CO 0.01 -0.63 1.87 -0.07 -0.54 0.00 0.00 174.62 175.27 1nl3 h LEU 358 N -0.21 0.83 0.53 4.79 3.38 -1.85 -0.77 115.31 122.02 1nl3 h LEU 358 Ca -0.45 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1nl3 h LEU 358 Cb 1.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1nl3 h LEU 358 CO 0.56 0.73 -0.46 1.56 0.09 0.00 0.00 178.44 180.93 1nl3 h GLN 359 N 0.90 -0.94 0.00 1.13 7.50 -1.91 0.13 115.11 121.91 1nl3 h GLN 359 Ca 0.21 0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.39 1nl3 h GLN 359 Cb 0.15 0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1nl3 h GLN 359 CO -0.02 -0.63 -0.19 -0.91 -1.50 0.00 0.00 178.83 175.58 1nl3 h ASN 360 N -0.98 0.00 0.22 1.46 2.35 -1.91 -1.97 115.58 114.75 1nl3 h ASN 360 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1nl3 h ASN 360 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1nl3 h ASN 360 CO -0.02 0.19 -0.11 0.22 -1.65 0.00 0.00 177.43 176.06 1nl3 h TYR 361 N 0.00 -0.27 0.00 1.19 3.20 -0.76 -3.28 116.97 117.05 1nl3 h TYR 361 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1nl3 h TYR 361 Cb 0.66 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1nl3 h TYR 361 CO 0.00 0.08 0.00 0.74 -1.64 0.00 0.00 178.16 177.34 1nl3 h PHE 362 N -0.69 0.00 0.00 -3.82 0.04 -0.64 -1.90 116.94 109.93 1nl3 h PHE 362 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1nl3 h PHE 362 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1nl3 h PHE 362 CO 0.04 0.00 -0.00 0.00 -0.60 0.00 0.00 178.31 177.75 1nl3 h ARG 363 N 0.00 0.00 -0.09 1.51 3.08 -1.42 -3.05 114.38 114.41 1nl3 h ARG 363 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1nl3 h ARG 363 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1nl3 h ARG 363 CO 0.00 0.00 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.69 1nl3 h LEU 364 N 0.00 0.13-10.03 3.04 3.38 -1.43 -3.45 115.31 106.94 1nl3 h LEU 364 Ca -0.00 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.45 1nl3 h LEU 364 Cb 0.04 -0.03 0.06 0.00 0.09 0.00 0.00 40.66 40.82 1nl3 h LEU 364 CO 0.00 0.29 0.45 -0.31 0.09 0.00 0.00 178.44 178.96 1nl3 s TYR 365 N -4.70 2.84 0.05 1.13 1.51 -1.16 -4.77 117.35 112.25 1nl3 s TYR 365 Ca -0.05 1.55 -0.18 0.00 -1.01 0.00 0.00 57.07 57.38 1nl3 s TYR 365 Cb 0.16 -3.30 -0.16 0.00 -0.11 0.00 0.00 41.96 38.54 1nl3 s TYR 365 CO 0.72 -1.40 1.26 -0.44 -1.11 0.00 0.00 175.55 174.58 1nl3 h ASP 366 N 1.74 0.58 -4.00 2.29 3.32 -1.15 -3.43 116.42 115.77 1nl3 h ASP 366 Ca -0.50 -0.60 -0.69 0.00 0.02 0.00 0.00 57.03 55.27 1nl3 h ASP 366 Cb 1.25 -0.17 -0.23 0.00 0.22 0.00 0.00 39.33 40.40 1nl3 h ASP 366 CO 0.59 1.08 -0.85 -0.75 -1.72 0.00 0.00 179.24 177.60 1nl3 s LYS 367 N -3.84 1.73 -0.02 3.56 2.20 -0.81 -5.03 119.74 117.52 1nl3 s LYS 367 Ca -0.13 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1nl3 s LYS 367 Cb 0.06 -2.02 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1nl3 s LYS 367 CO 0.81 0.49 0.01 -1.17 -0.36 0.00 0.00 175.35 175.14 1nl3 s LEU 368 N -1.72 1.35 0.30 5.43 2.96 -1.26 -2.69 118.68 123.05 1nl3 s LEU 368 Ca 0.14 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1nl3 s LEU 368 Cb -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 1nl3 s LEU 368 CO 0.06 -0.08 0.20 0.00 -1.32 0.00 0.00 176.35 175.20 1nl3 s ALA 369 N 0.76 1.87 -0.11 5.97 0.00 0.16 -4.08 121.76 126.32 1nl3 s ALA 369 Ca -0.07 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 1nl3 s ALA 369 Cb -0.10 1.28 0.08 0.00 0.00 0.00 0.00 23.12 24.39 1nl3 s ALA 369 CO -0.02 -0.57 0.75 0.20 0.00 0.00 0.00 175.76 176.13 1nl3 s GLY 370 N -3.36 -0.50 0.06 0.00 0.00 -0.96 -0.26 107.32 102.31 1nl3 s GLY 370 Ca 0.37 1.61 0.09 0.00 0.00 0.00 0.00 44.72 46.79 1nl3 s GLY 370 CO 0.20 1.13 -0.24 1.06 0.00 0.00 0.00 173.10 175.25 1nl3 s MET 371 N -0.87 1.80 -0.11 2.90 -1.94 -0.64 -1.67 119.30 118.76 1nl3 s MET 371 Ca -0.07 -1.13 -0.33 0.00 -1.71 0.00 0.00 55.69 52.46 1nl3 s MET 371 Cb -0.01 -2.03 0.12 0.00 2.01 0.00 0.00 34.83 34.92 1nl3 s MET 371 CO 0.07 0.51 1.13 -0.08 -0.01 0.00 0.00 175.02 176.63 1nl3 s THR 372 N -0.91 0.00 -0.83 2.05 -1.32 -1.16 -0.97 115.64 112.49 1nl3 s THR 372 Ca 0.13 -0.05 0.27 0.00 -1.21 0.00 0.00 61.69 60.83 1nl3 s THR 372 Cb -0.10 -1.15 0.22 0.00 -1.51 0.00 0.00 72.50 69.96 1nl3 s THR 372 CO 0.04 0.00 1.75 0.61 -2.21 0.00 0.00 174.62 174.81 1nl3 n GLY 373 N -0.19 -1.57 2.54 6.08 0.00 -1.18 -1.19 105.19 109.69 1nl3 n GLY 373 Ca -0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1nl3 n GLY 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nl3 s THR 374 N -3.07 -0.01 0.00 2.61 -4.23 -1.26 -4.71 115.64 104.98 1nl3 s THR 374 Ca 0.11 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1nl3 s THR 374 Cb 0.15 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1nl3 s THR 374 CO 0.60 -0.86 0.00 0.00 -0.54 0.00 0.00 174.62 173.82 1nl3 n ALA 375 N 4.29 1.88 -0.18 3.99 0.00 -1.26 -4.58 120.51 124.65 1nl3 n ALA 375 Ca 0.09 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.76 1nl3 n ALA 375 Cb 0.40 0.27 0.63 0.00 0.00 0.00 0.00 19.45 20.74 1nl3 n ALA 375 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1nl3 h GLN 376 N 0.00 0.17 -0.01 0.00 5.75 -1.93 0.52 115.11 119.61 1nl3 h GLN 376 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nl3 h GLN 376 Cb 0.83 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1nl3 h GLN 376 CO 0.00 0.11 -0.03 0.25 -2.65 0.00 0.00 178.83 176.51 1nl3 n THR 377 N -4.39 0.00 -0.17 2.39 -2.24 -1.26 -3.20 114.28 105.40 1nl3 n THR 377 Ca 0.18 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.90 1nl3 n THR 377 Cb 0.80 -0.05 0.12 0.00 -2.10 0.00 0.00 70.33 69.10 1nl3 n THR 377 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nl3 n GLU 378 N -0.60 2.89 -0.26 -0.78 -0.58 0.18 -4.84 120.64 116.65 1nl3 n GLU 378 Ca 0.20 -1.96 0.07 0.00 -0.42 0.00 0.00 57.16 55.04 1nl3 n GLU 378 Cb 0.24 -1.23 0.20 0.00 -0.57 0.00 0.00 31.44 30.07 1nl3 n GLU 378 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nl3 h ALA 379 N 1.56 0.99 -0.34 0.62 0.00 -1.50 -0.96 119.26 119.62 1nl3 h ALA 379 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nl3 h ALA 379 Cb 0.71 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nl3 h ALA 379 CO 0.01 -0.36 0.07 0.00 0.00 0.00 0.00 179.25 178.97 1nl3 h ALA 380 N 1.64 0.45 -0.43 0.00 0.00 -1.88 -0.61 119.26 118.44 1nl3 h ALA 380 Ca 0.44 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1nl3 h ALA 380 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1nl3 h ALA 380 CO -0.54 0.13 -0.18 1.49 0.00 0.00 0.00 179.25 180.15 1nl3 h GLU 381 N 0.40 0.82 -0.19 0.00 4.81 -1.71 -0.02 114.58 118.70 1nl3 h GLU 381 Ca 0.11 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1nl3 h GLU 381 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1nl3 h GLU 381 CO 0.00 0.94 0.03 -0.07 -0.73 0.00 0.00 179.01 179.19 1nl3 h LEU 382 N 0.73 0.24 0.06 1.64 3.38 -0.87 -1.70 115.31 118.79 1nl3 h LEU 382 Ca 0.11 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1nl3 h LEU 382 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1nl3 h LEU 382 CO 0.05 0.27 -0.54 -0.74 0.09 0.00 0.00 178.44 177.57 1nl3 h HIS 383 N 0.27 0.22 -0.11 1.13 2.76 -0.55 -1.95 115.15 116.92 1nl3 h HIS 383 Ca 0.07 -0.16 0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1nl3 h HIS 383 Cb 0.14 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1nl3 h HIS 383 CO 0.00 1.21 -0.15 0.93 -1.30 0.00 0.00 177.93 178.62 1nl3 h GLU 384 N -0.73 -0.19 0.12 5.26 4.39 -0.92 -0.95 114.58 121.57 1nl3 h GLU 384 Ca -0.11 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.42 1nl3 h GLU 384 Cb 1.32 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1nl3 h GLU 384 CO 0.03 -0.12 -0.83 0.82 -1.16 0.00 0.00 179.01 177.75 1nl3 h ILE 385 N -0.19 1.46 -0.01 3.13 1.08 -1.47 -3.40 117.51 118.12 1nl3 h ILE 385 Ca 0.09 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1nl3 h ILE 385 Cb 0.32 3.14 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 1nl3 h ILE 385 CO -0.22 0.70 -0.17 -1.22 -0.69 0.00 0.00 178.15 176.54 1nl3 n TYR 386 N -4.15 0.00 -3.96 1.37 4.01 -0.94 -4.98 117.16 108.51 1nl3 n TYR 386 Ca -0.15 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.32 1nl3 n TYR 386 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.81 1nl3 n TYR 386 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1nl3 n LYS 387 N -0.23 -2.84 -4.88 -0.72 5.02 -0.36 -4.97 118.16 109.18 1nl3 n LYS 387 Ca 0.04 0.37 -0.33 0.00 -2.02 0.00 0.00 58.31 56.37 1nl3 n LYS 387 Cb 0.19 -4.36 -0.14 0.00 -0.02 0.00 0.00 35.03 30.70 1nl3 n LYS 387 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nl3 s LEU 388 N -6.97 2.64 0.35 -0.35 1.43 -0.78 -4.96 118.68 110.03 1nl3 s LEU 388 Ca 0.05 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1nl3 s LEU 388 Cb -0.02 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1nl3 s LEU 388 CO 0.90 0.24 0.49 -0.83 0.23 0.00 0.00 176.35 177.38 1nl3 s GLY 389 N -0.11 1.60 -0.31 -3.19 0.00 -1.26 -3.37 107.32 100.68 1nl3 s GLY 389 Ca -0.02 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1nl3 s GLY 389 CO 0.04 -1.34 0.02 0.14 0.00 0.00 0.00 173.10 171.96 1nl3 s VAL 390 N -2.21 1.88 -0.22 1.40 1.01 -1.26 -0.08 120.40 120.91 1nl3 s VAL 390 Ca 0.45 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 1nl3 s VAL 390 Cb -0.10 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1nl3 s VAL 390 CO 0.32 -0.46 0.64 -0.69 0.00 0.00 0.00 175.10 174.91 1nl3 s VAL 391 N 1.14 5.00 -0.51 2.92 1.01 0.31 -4.93 120.40 125.34 1nl3 s VAL 391 Ca 0.05 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.93 1nl3 s VAL 391 Cb -0.19 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1nl3 s VAL 391 CO -0.11 0.07 1.13 -0.44 0.00 0.00 0.00 175.10 175.76 1nl3 s SER 392 N 1.30 6.56 0.13 3.32 0.01 -1.26 -0.27 113.70 123.49 1nl3 s SER 392 Ca 0.28 0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.56 1nl3 s SER 392 Cb -0.16 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 1nl3 s SER 392 CO 0.10 -1.30 0.94 -0.63 0.41 0.00 0.00 173.24 172.75 1nl3 s ILE 393 N 4.54 4.44 0.58 1.44 -1.09 -0.52 -4.93 121.20 125.65 1nl3 s ILE 393 Ca 0.45 2.03 -0.18 0.00 -2.23 0.00 0.00 60.65 60.73 1nl3 s ILE 393 Cb -0.07 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 1nl3 s ILE 393 CO 0.29 0.36 1.10 -2.16 -1.23 0.00 0.00 174.94 173.30 1nl3 s PRO 394 N -0.23 3.24 0.70 2.79 0.04 -1.26 -4.73 135.00 135.55 1nl3 s PRO 394 Ca 0.45 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1nl3 s PRO 394 Cb -0.24 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1nl3 s PRO 394 CO 0.30 -0.91 1.08 0.95 0.04 0.00 0.00 177.00 178.45 1nl3 s THR 395 N -2.07 3.78 0.06 1.26 -4.23 -1.26 -4.86 115.64 108.33 1nl3 s THR 395 Ca 0.69 0.58 -0.37 0.00 -1.18 0.00 0.00 61.69 61.40 1nl3 s THR 395 Cb -0.21 -3.51 -0.20 0.00 1.34 0.00 0.00 72.50 69.92 1nl3 s THR 395 CO 0.32 -0.76 1.57 -1.13 -0.54 0.00 0.00 174.62 174.08 1nl3 h ASN 396 N -0.64 -1.17 -2.72 3.99 -0.00 -1.95 -3.44 115.58 109.65 1nl3 h ASN 396 Ca -0.45 0.05 -0.57 0.00 -0.00 0.00 0.00 56.30 55.33 1nl3 h ASN 396 Cb 1.24 0.32 -0.07 0.00 -0.00 0.00 0.00 38.32 39.80 1nl3 h ASN 396 CO 0.62 -0.79 -0.57 -0.04 -0.00 0.00 0.00 177.43 176.65 1nl3 s MET 397 N -5.98 2.89 0.27 6.67 -1.94 -1.26 -5.06 119.30 114.89 1nl3 s MET 397 Ca -0.20 -0.87 -0.31 0.00 -1.71 0.00 0.00 55.69 52.61 1nl3 s MET 397 Cb 0.02 -2.64 -0.12 0.00 2.01 0.00 0.00 34.83 34.11 1nl3 s MET 397 CO 0.60 0.49 1.64 -1.25 -0.01 0.00 0.00 175.02 176.49 1nl3 s PRO 398 N -3.08 4.11 -0.16 2.03 0.04 -1.26 -4.59 135.00 132.09 1nl3 s PRO 398 Ca 0.31 2.61 -0.29 0.00 0.04 0.00 0.00 61.00 63.66 1nl3 s PRO 398 Cb -0.10 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 1nl3 s PRO 398 CO 0.23 -0.68 1.13 1.41 0.04 0.00 0.00 177.00 179.13 1nl3 s MET 399 N -0.05 4.30 0.00 4.56 1.75 -1.26 -4.32 119.30 124.27 1nl3 s MET 399 Ca 0.67 1.51 0.03 0.00 -1.25 0.00 0.00 55.69 56.64 1nl3 s MET 399 Cb -0.49 -3.65 0.05 0.00 2.84 0.00 0.00 34.83 33.59 1nl3 s MET 399 CO 0.44 -0.57 0.85 0.44 -0.65 0.00 0.00 175.02 175.53 1nl3 n ILE 400 N 5.08 0.54 -1.60 10.11 -5.35 -1.26 -5.04 119.36 121.84 1nl3 n ILE 400 Ca 0.12 -0.77 -0.49 0.00 -0.27 0.00 0.00 62.75 61.34 1nl3 n ILE 400 Cb 0.46 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 39.07 1nl3 n ILE 400 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1nl3 n ARG 401 N -0.06 1.37 -3.19 6.28 0.63 -1.26 -4.61 116.66 115.82 1nl3 n ARG 401 Ca 0.02 0.49 -0.44 0.00 -0.92 0.00 0.00 57.85 57.00 1nl3 n ARG 401 Cb 0.19 -2.08 -0.06 0.00 0.45 0.00 0.00 32.46 30.96 1nl3 n ARG 401 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1nl3 s GLU 402 N 0.02 3.09 -0.75 -0.14 0.41 0.83 -4.93 118.70 117.23 1nl3 s GLU 402 Ca 0.77 -1.04 -0.22 0.00 -0.41 0.00 0.00 54.97 54.07 1nl3 s GLU 402 Cb -0.84 -4.13 0.08 0.00 -1.78 0.00 0.00 34.13 27.46 1nl3 s GLU 402 CO 0.49 -1.24 1.04 -0.51 -0.49 0.00 0.00 175.26 174.55 1nl3 s ASP 403 N 2.83 6.31 0.60 -0.19 1.01 -1.26 -1.07 116.67 124.90 1nl3 s ASP 403 Ca 0.13 -1.28 -0.14 0.00 0.71 0.00 0.00 52.55 51.97 1nl3 s ASP 403 Cb -0.21 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1nl3 s ASP 403 CO 0.10 -1.36 1.03 -1.10 0.21 0.00 0.00 175.17 174.06 1nl3 s GLN 404 N 3.80 3.44 0.62 8.23 -1.52 0.13 -4.95 119.66 129.41 1nl3 s GLN 404 Ca 0.27 1.00 -0.11 0.00 -1.95 0.00 0.00 55.36 54.57 1nl3 s GLN 404 Cb -0.13 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 1nl3 s GLN 404 CO 0.04 -0.70 1.02 -1.54 -0.25 0.00 0.00 175.29 173.86 1nl3 s SER 405 N -3.34 6.18 0.29 5.90 1.04 -1.26 -4.53 113.70 117.99 1nl3 s SER 405 Ca 0.60 1.37 -0.30 0.00 0.48 0.00 0.00 55.95 58.10 1nl3 s SER 405 Cb -0.13 -2.42 -0.12 0.00 0.10 0.00 0.00 66.02 63.44 1nl3 s SER 405 CO 0.43 -0.88 1.48 0.47 0.98 0.00 0.00 173.24 175.72 1nl3 n ASP 406 N -2.74 3.36 -4.59 7.02 8.00 -1.26 -4.63 116.55 121.72 1nl3 n ASP 406 Ca 0.06 1.16 -0.39 0.00 0.71 0.00 0.00 54.79 56.33 1nl3 n ASP 406 Cb 0.54 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.01 1nl3 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nl3 s LEU 407 N -0.55 4.11 -0.20 0.64 1.43 -0.76 -5.00 118.68 118.35 1nl3 s LEU 407 Ca 0.63 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1nl3 s LEU 407 Cb -0.55 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 1nl3 s LEU 407 CO 0.52 -0.14 -0.01 -0.63 0.23 0.00 0.00 176.35 176.33 1nl3 s ILE 408 N 1.89 3.89 0.12 -0.59 1.01 -1.26 -0.14 121.20 126.12 1nl3 s ILE 408 Ca 0.10 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1nl3 s ILE 408 Cb -0.16 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1nl3 s ILE 408 CO 0.11 0.44 0.12 -0.31 0.00 0.00 0.00 174.94 175.29 1nl3 s TYR 409 N 0.95 3.20 0.37 3.97 2.02 0.44 -0.51 117.35 127.79 1nl3 s TYR 409 Ca 0.01 0.05 0.09 0.00 -0.37 0.00 0.00 57.07 56.85 1nl3 s TYR 409 Cb -0.14 -1.58 0.72 0.00 -0.40 0.00 0.00 41.96 40.55 1nl3 s TYR 409 CO 0.02 0.52 1.87 -0.22 -1.57 0.00 0.00 175.55 176.17 1nl3 h LYS 410 N 2.86 0.22 -4.75 -0.62 3.64 -1.83 -2.37 116.57 113.72 1nl3 h LYS 410 Ca -0.47 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 58.58 1nl3 h LYS 410 Cb 1.18 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.81 1nl3 h LYS 410 CO 0.65 0.42 -0.71 0.95 -2.27 0.00 0.00 179.45 178.49 1nl3 s THR 411 N -4.59 0.77 0.18 1.00 -4.23 -1.26 -4.26 115.64 103.25 1nl3 s THR 411 Ca -0.05 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1nl3 s THR 411 Cb 0.15 -1.45 0.07 0.00 1.34 0.00 0.00 72.50 72.62 1nl3 s THR 411 CO 0.74 -0.71 1.66 -0.08 -0.54 0.00 0.00 174.62 175.69 1nl3 h GLU 412 N 3.34 1.07 -0.39 3.99 4.81 -1.89 -2.72 114.58 122.79 1nl3 h GLU 412 Ca -0.36 -0.31 0.08 0.00 -0.13 0.00 0.00 59.36 58.64 1nl3 h GLU 412 Cb 1.18 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.36 1nl3 h GLU 412 CO 0.58 1.01 -0.32 0.93 -0.73 0.00 0.00 179.01 180.48 1nl3 h GLU 413 N 0.97 -0.24 -0.30 1.92 5.08 -1.99 -2.67 114.58 117.34 1nl3 h GLU 413 Ca 0.18 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1nl3 h GLU 413 Cb 0.50 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1nl3 h GLU 413 CO 0.02 -0.16 -0.12 0.00 -1.00 0.00 0.00 179.01 177.75 1nl3 h ALA 414 N 0.76 0.42 -0.41 3.43 0.00 -1.86 -2.79 119.26 118.80 1nl3 h ALA 414 Ca 0.17 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nl3 h ALA 414 Cb 0.54 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1nl3 h ALA 414 CO -0.53 0.29 0.02 -0.22 0.00 0.00 0.00 179.25 178.81 1nl3 h LYS 415 N 0.38 0.12 -0.50 0.00 3.64 -1.40 -1.88 116.57 116.93 1nl3 h LYS 415 Ca 0.07 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1nl3 h LYS 415 Cb 0.63 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1nl3 h LYS 415 CO 0.04 0.08 -0.06 1.88 -2.27 0.00 0.00 179.45 179.12 1nl3 h TYR 416 N 0.13 0.96 -0.72 1.91 0.05 -1.31 -0.67 116.97 117.33 1nl3 h TYR 416 Ca 0.20 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1nl3 h TYR 416 Cb 0.29 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1nl3 h TYR 416 CO -0.26 0.90 0.25 -0.84 -1.05 0.00 0.00 178.16 177.16 1nl3 h ILE 417 N 0.80 1.26 -0.37 -2.88 3.07 -1.28 -0.50 117.51 117.61 1nl3 h ILE 417 Ca 0.14 -0.85 0.06 0.00 1.55 0.00 0.00 64.86 65.76 1nl3 h ILE 417 Cb 0.57 0.46 -0.05 0.00 -0.27 0.00 0.00 36.82 37.52 1nl3 h ILE 417 CO 0.03 0.34 0.06 0.00 -1.05 0.00 0.00 178.15 177.53 1nl3 h ALA 418 N 1.12 0.39 0.01 0.16 0.00 -0.86 -0.52 119.26 119.57 1nl3 h ALA 418 Ca 0.23 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1nl3 h ALA 418 Cb 0.27 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nl3 h ALA 418 CO -0.01 -0.34 -0.14 0.28 0.00 0.00 0.00 179.25 179.03 1nl3 h VAL 419 N 0.18 0.65 -0.52 0.00 2.07 -0.80 -1.59 116.25 116.22 1nl3 h VAL 419 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 1nl3 h VAL 419 Cb 0.22 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1nl3 h VAL 419 CO -0.25 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.06 1nl3 h VAL 420 N -0.25 1.24 -0.73 2.57 2.07 -0.91 0.24 116.25 120.48 1nl3 h VAL 420 Ca 0.05 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1nl3 h VAL 420 Cb 0.30 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1nl3 h VAL 420 CO -0.13 0.31 0.48 0.44 0.02 0.00 0.00 177.57 178.68 1nl3 h ASP 421 N 0.73 0.63 0.01 0.57 3.32 -0.97 0.28 116.42 121.00 1nl3 h ASP 421 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1nl3 h ASP 421 Cb 0.32 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1nl3 h ASP 421 CO -0.00 0.40 -0.01 -0.78 -1.72 0.00 0.00 179.24 177.13 1nl3 h ASP 422 N 0.71 -0.01 -0.30 6.45 1.82 -0.45 -1.96 116.42 122.67 1nl3 h ASP 422 Ca 0.32 -0.58 0.03 0.00 -0.39 0.00 0.00 57.03 56.41 1nl3 h ASP 422 Cb 0.33 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 1nl3 h ASP 422 CO -0.11 0.58 0.20 0.58 -1.61 0.00 0.00 179.24 178.88 1nl3 h VAL 423 N -0.62 1.00 0.50 2.25 2.07 -0.57 -1.57 116.25 119.32 1nl3 h VAL 423 Ca -0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1nl3 h VAL 423 Cb 0.60 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1nl3 h VAL 423 CO 0.00 0.05 -0.24 0.00 0.02 0.00 0.00 177.57 177.40 1nl3 h ALA 424 N 1.83 -0.67 -0.61 1.67 0.00 -0.40 -1.29 119.26 119.79 1nl3 h ALA 424 Ca 0.12 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1nl3 h ALA 424 Cb 0.14 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1nl3 h ALA 424 CO -0.03 -0.71 0.41 0.93 0.00 0.00 0.00 179.25 179.85 1nl3 h GLU 425 N -1.00 0.35 0.01 0.00 5.08 -1.07 -2.27 114.58 115.69 1nl3 h GLU 425 Ca -0.07 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.00 1nl3 h GLU 425 Cb 0.60 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1nl3 h GLU 425 CO 0.11 0.23 -1.51 0.00 -1.00 0.00 0.00 179.01 176.84 1nl3 h ARG 426 N 0.36 0.03 0.13 2.33 3.08 -1.28 -2.97 114.38 116.06 1nl3 h ARG 426 Ca 0.29 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.29 1nl3 h ARG 426 Cb 0.64 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1nl3 h ARG 426 CO -0.07 0.71 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.45 1nl3 h TYR 427 N 0.01 -0.43 -0.91 3.04 3.20 -0.97 -2.53 116.97 118.38 1nl3 h TYR 427 Ca -0.21 0.01 0.22 0.00 3.14 0.00 0.00 58.73 61.88 1nl3 h TYR 427 Cb 1.95 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 40.33 1nl3 h TYR 427 CO 0.01 -0.25 0.61 0.00 -1.64 0.00 0.00 178.16 176.89 1nl3 h ALA 428 N 0.48 2.33 -0.02 1.82 0.00 -1.47 -1.58 119.26 120.82 1nl3 h ALA 428 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nl3 h ALA 428 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nl3 h ALA 428 CO -0.07 -0.62 0.00 1.63 0.00 0.00 0.00 179.25 180.19 1nl3 n LYS 429 N -4.47 1.70 0.00 0.00 5.02 -1.06 -4.95 118.16 114.39 1nl3 n LYS 429 Ca 0.19 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 1nl3 n LYS 429 Cb 0.76 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1nl3 n LYS 429 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nl3 n GLY 430 N 1.18 3.11 3.62 0.72 0.00 -0.59 -4.91 105.19 108.31 1nl3 n GLY 430 Ca 0.19 -0.90 -0.51 0.00 0.00 0.00 0.00 46.02 44.79 1nl3 n GLY 430 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nl3 n GLN 431 N 0.00 1.33 -2.22 1.61 7.27 -0.98 0.11 117.38 124.49 1nl3 n GLN 431 Ca 0.00 0.48 -0.41 0.00 0.07 0.00 0.00 57.00 57.14 1nl3 n GLN 431 Cb 0.00 -2.15 -0.03 0.00 2.41 0.00 0.00 30.24 30.47 1nl3 n GLN 431 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1nl3 s PRO 432 N 0.89 4.42 -0.06 3.69 0.02 -1.26 -4.40 135.00 138.30 1nl3 s PRO 432 Ca 0.85 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.98 1nl3 s PRO 432 Cb -0.92 -3.15 -0.00 0.00 0.02 0.00 0.00 34.50 30.45 1nl3 s PRO 432 CO 0.47 -0.15 -0.19 0.08 -0.33 0.00 0.00 177.00 176.88 1nl3 s VAL 433 N -0.53 1.58 -0.27 3.83 1.01 0.02 -1.35 120.40 124.71 1nl3 s VAL 433 Ca 0.52 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1nl3 s VAL 433 Cb -0.37 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1nl3 s VAL 433 CO 0.44 0.45 0.04 -0.22 0.00 0.00 0.00 175.10 175.81 1nl3 s LEU 434 N 0.19 3.51 -0.20 3.92 0.20 -0.07 -0.87 118.68 125.35 1nl3 s LEU 434 Ca -0.09 -0.53 -0.06 0.00 0.69 0.00 0.00 54.13 54.15 1nl3 s LEU 434 Cb -0.14 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.74 1nl3 s LEU 434 CO 0.04 -0.11 0.02 -0.63 -0.29 0.00 0.00 176.35 175.37 1nl3 s ILE 435 N 1.51 4.10 -0.09 6.68 1.09 0.74 -0.51 121.20 134.73 1nl3 s ILE 435 Ca 0.04 -0.26 -0.08 0.00 -1.10 0.00 0.00 60.65 59.25 1nl3 s ILE 435 Cb -0.16 -2.86 -0.04 0.00 -1.06 0.00 0.00 42.46 38.33 1nl3 s ILE 435 CO 0.01 0.42 0.19 -0.83 -0.10 0.00 0.00 174.94 174.63 1nl3 s GLY 436 N 0.99 2.21 0.43 6.18 0.00 -0.41 -0.40 107.32 116.33 1nl3 s GLY 436 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.20 1nl3 s GLY 436 CO 0.02 -0.31 0.11 -0.51 0.00 0.00 0.00 173.10 172.41 1nl3 s THR 437 N -1.06 0.68 -0.04 0.90 -4.23 -1.09 -1.67 115.64 109.13 1nl3 s THR 437 Ca 0.17 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1nl3 s THR 437 Cb -0.13 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1nl3 s THR 437 CO 0.06 0.00 0.33 0.41 -0.54 0.00 0.00 174.62 174.89 1nl3 n THR 438 N -0.99 0.00 -4.06 3.99 -1.04 -1.26 -0.70 114.28 110.22 1nl3 n THR 438 Ca -0.09 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.33 1nl3 n THR 438 Cb 0.65 1.01 -0.07 0.00 -1.82 0.00 0.00 70.33 70.10 1nl3 n THR 438 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nl3 s SER 439 N -0.40 -0.02 0.05 8.00 1.04 -1.26 -4.66 113.70 116.44 1nl3 s SER 439 Ca 0.00 -1.06 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 1nl3 s SER 439 Cb 0.00 0.53 -0.32 0.00 0.10 0.00 0.00 66.02 66.33 1nl3 s SER 439 CO 0.01 -1.06 1.06 0.58 0.98 0.00 0.00 173.24 174.82 1nl3 h VAL 440 N 2.36 1.36 -0.42 5.02 2.07 -1.95 -2.97 116.25 121.71 1nl3 h VAL 440 Ca -0.29 -2.79 0.02 0.00 0.82 0.00 0.00 66.70 64.46 1nl3 h VAL 440 Cb 1.25 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.96 1nl3 h VAL 440 CO 0.40 0.83 0.24 -0.33 0.02 0.00 0.00 177.57 178.73 1nl3 h GLU 441 N 0.14 0.47 -0.62 1.57 5.08 -1.98 0.13 114.58 119.37 1nl3 h GLU 441 Ca -0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1nl3 h GLU 441 Cb 2.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 1nl3 h GLU 441 CO 0.25 0.31 0.13 0.00 -1.00 0.00 0.00 179.01 178.70 1nl3 h ARG 442 N 0.48 0.98 -0.47 2.33 -0.00 -1.99 0.27 114.38 115.98 1nl3 h ARG 442 Ca 0.17 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 1nl3 h ARG 442 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 29.97 29.85 1nl3 h ARG 442 CO -0.09 0.89 0.27 0.77 0.00 0.00 0.00 179.97 181.80 1nl3 h SER 443 N 0.93 0.58 -0.42 7.04 0.02 -1.22 -1.10 113.55 119.37 1nl3 h SER 443 Ca 0.19 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1nl3 h SER 443 Cb 0.37 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1nl3 h SER 443 CO 0.00 0.49 0.01 -0.08 -1.14 0.00 0.00 176.83 176.11 1nl3 h GLU 444 N 0.62 0.74 -0.48 3.45 4.57 -0.45 -1.75 114.58 121.29 1nl3 h GLU 444 Ca 0.17 -0.23 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1nl3 h GLU 444 Cb 0.03 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1nl3 h GLU 444 CO -0.03 0.81 0.23 -0.92 -1.18 0.00 0.00 179.01 177.92 1nl3 h TYR 445 N 0.58 0.41 0.00 0.92 3.20 -0.25 -1.91 116.97 119.92 1nl3 h TYR 445 Ca 0.12 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1nl3 h TYR 445 Cb 0.47 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1nl3 h TYR 445 CO 0.04 0.19 -0.24 1.25 -1.64 0.00 0.00 178.16 177.76 1nl3 h LEU 446 N 0.45 0.00 -0.09 2.82 5.85 -0.94 -2.17 115.31 121.22 1nl3 h LEU 446 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1nl3 h LEU 446 Cb 0.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1nl3 h LEU 446 CO -0.17 0.24 0.04 -1.28 -0.34 0.00 0.00 178.44 176.94 1nl3 h SER 447 N 0.00 0.12 0.09 1.25 0.87 -0.56 -1.86 113.55 113.46 1nl3 h SER 447 Ca -0.00 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1nl3 h SER 447 Cb 0.59 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1nl3 h SER 447 CO 0.03 0.22 -0.04 0.03 -0.53 0.00 0.00 176.83 176.54 1nl3 h ARG 448 N 0.01 -0.11 -0.92 2.24 3.08 -1.05 -0.28 114.38 117.35 1nl3 h ARG 448 Ca 0.03 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.30 1nl3 h ARG 448 Cb 0.13 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.09 1nl3 h ARG 448 CO -0.00 0.07 0.46 1.96 -1.07 0.00 0.00 179.97 181.39 1nl3 h GLN 449 N -0.27 0.48 -0.01 0.04 7.50 -1.42 0.36 115.11 121.79 1nl3 h GLN 449 Ca -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.11 1nl3 h GLN 449 Cb 0.23 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1nl3 h GLN 449 CO 0.02 0.32 0.00 0.74 -1.50 0.00 0.00 178.83 178.41 1nl3 h PHE 450 N 0.50 0.02 0.03 2.96 0.04 -0.88 -3.14 116.94 116.46 1nl3 h PHE 450 Ca 0.57 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.34 1nl3 h PHE 450 Cb 1.04 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1nl3 h PHE 450 CO -0.09 0.25 -0.01 1.15 -0.60 0.00 0.00 178.31 179.01 1nl3 h THR 451 N -0.22 1.04 0.00 -1.55 2.02 0.13 0.16 112.91 114.48 1nl3 h THR 451 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1nl3 h THR 451 Cb 0.24 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1nl3 h THR 451 CO 0.00 0.05 0.66 0.11 0.37 0.00 0.00 175.52 176.71 1nl3 h LYS 452 N -0.12 0.00 0.00 6.66 1.79 -0.40 -0.91 116.57 123.60 1nl3 h LYS 452 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nl3 h LYS 452 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1nl3 h LYS 452 CO 0.01 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.92 1nl3 n ARG 453 N -2.16 1.67 -1.63 3.15 5.12 0.47 -5.02 116.66 118.26 1nl3 n ARG 453 Ca -0.00 -1.11 -0.11 0.00 -1.93 0.00 0.00 57.85 54.70 1nl3 n ARG 453 Cb 0.67 -0.93 -0.03 0.00 -1.16 0.00 0.00 32.46 31.01 1nl3 n ARG 453 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1nl3 n ARG 454 N -0.31 -0.77 -3.39 5.56 3.00 -0.35 -5.00 116.66 115.40 1nl3 n ARG 454 Ca 0.00 0.74 -0.43 0.00 -0.00 0.00 0.00 57.85 58.16 1nl3 n ARG 454 Cb 0.22 -4.74 -0.09 0.00 0.00 0.00 0.00 32.46 27.85 1nl3 n ARG 454 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1nl3 s ILE 455 N -2.44 5.18 0.11 5.15 1.01 -1.06 -5.04 121.20 124.11 1nl3 s ILE 455 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 1nl3 s ILE 455 Cb 0.00 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 1nl3 s ILE 455 CO 0.00 -0.41 1.35 -2.16 0.00 0.00 0.00 174.94 173.72 1nl3 s PRO 456 N 1.87 4.35 0.23 2.79 0.04 -1.26 -4.41 135.00 138.61 1nl3 s PRO 456 Ca 0.08 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1nl3 s PRO 456 Cb -0.19 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1nl3 s PRO 456 CO 0.11 -0.39 0.30 -2.39 0.04 0.00 0.00 177.00 174.67 1nl3 n HIS 457 N 3.82 -0.99 -4.10 0.56 1.44 -1.26 -4.34 115.22 110.35 1nl3 n HIS 457 Ca 0.10 -1.65 -0.14 0.00 -2.01 0.00 0.00 57.72 54.03 1nl3 n HIS 457 Cb 0.43 0.33 -0.12 0.00 0.12 0.00 0.00 29.99 30.75 1nl3 n HIS 457 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1nl3 s ASN 458 N -2.48 0.90 -0.16 4.39 0.02 -0.46 -4.98 114.94 112.17 1nl3 s ASN 458 Ca 0.21 -0.46 0.00 0.00 -1.02 0.00 0.00 52.86 51.59 1nl3 s ASN 458 Cb -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 41.25 41.27 1nl3 s ASN 458 CO 0.15 -0.13 -0.15 -0.69 0.02 0.00 0.00 177.10 176.30 1nl3 s VAL 459 N -1.10 2.67 -0.18 1.60 1.01 -1.26 0.18 120.40 123.32 1nl3 s VAL 459 Ca -0.07 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1nl3 s VAL 459 Cb -0.08 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1nl3 s VAL 459 CO 0.00 0.51 -0.08 -1.48 0.00 0.00 0.00 175.10 174.06 1nl3 s LEU 460 N 0.82 2.87 -0.03 3.92 2.34 -0.06 -4.95 118.68 123.59 1nl3 s LEU 460 Ca -0.05 -0.33 0.18 0.00 0.06 0.00 0.00 54.13 53.98 1nl3 s LEU 460 Cb -0.15 -1.70 0.55 0.00 -0.56 0.00 0.00 46.19 44.33 1nl3 s LEU 460 CO -0.00 0.08 1.46 0.59 -1.06 0.00 0.00 176.35 177.41 1nl3 n ASN 461 N 4.14 3.79 0.00 1.48 3.02 -1.26 -2.31 115.26 124.12 1nl3 n ASN 461 Ca -0.18 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1nl3 n ASN 461 Cb 0.52 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1nl3 n ASN 461 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nl3 n ALA 462 N 1.06 0.00 -0.03 5.41 0.00 -1.26 -4.88 120.51 120.80 1nl3 n ALA 462 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 1nl3 n ALA 462 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 1nl3 n ALA 462 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nl3 h LYS 463 N 3.02 0.11 -4.23 0.00 1.63 -1.97 -3.43 116.57 111.70 1nl3 h LYS 463 Ca 0.00 -0.12 -0.64 0.00 -0.85 0.00 0.00 60.65 59.05 1nl3 h LYS 463 Cb 0.00 0.03 -0.40 0.00 -0.60 0.00 0.00 32.23 31.26 1nl3 h LYS 463 CO 0.00 0.86 -0.72 0.71 -3.45 0.00 0.00 179.45 176.85 1nl3 s TYR 464 N -3.15 3.16 0.10 1.91 1.51 -1.26 -5.01 117.35 114.61 1nl3 s TYR 464 Ca -0.16 -2.70 -0.16 0.00 -1.01 0.00 0.00 57.07 53.03 1nl3 s TYR 464 Cb 0.00 -2.59 -0.06 0.00 -0.11 0.00 0.00 41.96 39.20 1nl3 s TYR 464 CO 0.72 -0.91 1.51 0.45 -1.11 0.00 0.00 175.55 176.21 1nl3 h HIS 465 N 7.58 0.67 -0.69 2.71 3.86 -1.99 -1.68 115.15 125.60 1nl3 h HIS 465 Ca -0.06 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 1nl3 h HIS 465 Cb 1.00 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 1nl3 h HIS 465 CO 0.44 0.77 0.26 1.49 0.86 0.00 0.00 177.93 181.75 1nl3 h GLU 466 N 0.38 1.03 0.12 2.45 4.81 -1.97 -0.88 114.58 120.52 1nl3 h GLU 466 Ca 0.08 -0.18 -0.28 0.00 -0.13 0.00 0.00 59.36 58.85 1nl3 h GLU 466 Cb 0.54 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1nl3 h GLU 466 CO 0.03 0.85 -1.31 -0.56 -0.73 0.00 0.00 179.01 177.28 1nl3 h GLN 467 N 1.01 0.26 -0.41 1.92 3.07 -1.96 -2.76 115.11 116.24 1nl3 h GLN 467 Ca 0.23 -0.44 -0.05 0.00 0.09 0.00 0.00 58.65 58.49 1nl3 h GLN 467 Cb 0.21 0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 1nl3 h GLN 467 CO -0.02 1.18 0.05 0.93 0.09 0.00 0.00 178.83 181.06 1nl3 h GLU 468 N 0.07 0.62 -0.83 0.06 5.08 -1.27 -1.59 114.58 116.73 1nl3 h GLU 468 Ca -0.16 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1nl3 h GLU 468 Cb 1.98 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.10 1nl3 h GLU 468 CO 0.19 0.61 0.52 0.00 -1.00 0.00 0.00 179.01 179.33 1nl3 h ALA 469 N 1.46 1.06 -0.65 3.43 0.00 -1.17 -0.71 119.26 122.68 1nl3 h ALA 469 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nl3 h ALA 469 Cb 0.31 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nl3 h ALA 469 CO 0.01 0.51 0.42 1.15 0.00 0.00 0.00 179.25 181.33 1nl3 h THR 470 N 1.14 1.11 -0.20 0.00 2.02 -1.05 -0.89 112.91 115.04 1nl3 h THR 470 Ca 0.30 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1nl3 h THR 470 Cb -0.07 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1nl3 h THR 470 CO -0.06 0.15 -0.07 0.40 0.37 0.00 0.00 175.52 176.31 1nl3 h ILE 471 N 0.83 1.30 -0.62 3.11 2.04 -1.02 -3.15 117.51 119.99 1nl3 h ILE 471 Ca 0.25 -1.08 0.13 0.00 1.00 0.00 0.00 64.86 65.16 1nl3 h ILE 471 Cb -0.02 1.59 -0.10 0.00 -0.74 0.00 0.00 36.82 37.55 1nl3 h ILE 471 CO -0.09 0.33 0.08 0.40 0.00 0.00 0.00 178.15 178.87 1nl3 h ILE 472 N 0.11 0.56 0.00 -0.67 1.08 -0.83 -2.10 117.51 115.66 1nl3 h ILE 472 Ca 0.05 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1nl3 h ILE 472 Cb 0.53 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1nl3 h ILE 472 CO 0.02 0.04 0.04 0.00 -0.69 0.00 0.00 178.15 177.56 1nl3 n ALA 473 N -2.69 0.98 -0.07 1.87 0.00 -0.37 -0.94 120.51 119.29 1nl3 n ALA 473 Ca 0.10 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1nl3 n ALA 473 Cb 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1nl3 n ALA 473 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1nl3 n VAL 474 N -2.12 0.64 0.30 0.00 0.24 -0.82 0.17 118.33 116.74 1nl3 n VAL 474 Ca -0.01 -0.78 0.18 0.00 -2.04 0.00 0.00 64.34 61.69 1nl3 n VAL 474 Cb 0.07 0.70 0.80 0.00 -1.47 0.00 0.00 33.84 33.95 1nl3 n VAL 474 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nl3 h ALA 475 N 0.00 1.00 -0.58 2.33 0.00 -0.72 -2.42 119.26 118.87 1nl3 h ALA 475 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nl3 h ALA 475 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nl3 h ALA 475 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1nl3 n GLY 476 N -0.24 2.74 3.89 0.00 0.00 -1.26 -4.41 105.19 105.90 1nl3 n GLY 476 Ca -0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1nl3 n GLY 476 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nl3 s ARG 477 N -2.27 3.16 0.25 1.61 1.81 -0.91 -0.28 118.95 122.32 1nl3 s ARG 477 Ca 0.50 0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 54.68 1nl3 s ARG 477 Cb 0.35 -2.10 -0.14 0.00 -0.45 0.00 0.00 34.95 32.61 1nl3 s ARG 477 CO 0.19 -0.77 1.25 -2.13 -0.68 0.00 0.00 175.30 173.15 1nl3 n ARG 478 N -2.81 1.72 -0.98 3.54 0.63 -1.26 -2.07 116.66 115.43 1nl3 n ARG 478 Ca 0.06 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 1nl3 n ARG 478 Cb 0.56 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1nl3 n ARG 478 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nl3 n GLY 479 N 1.69 0.89 3.67 5.14 0.00 0.29 -4.98 105.19 111.90 1nl3 n GLY 479 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1nl3 n GLY 479 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nl3 n GLY 480 N -2.20 0.96 2.78 -0.02 0.00 -0.88 -4.92 105.19 100.91 1nl3 n GLY 480 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 46.02 46.41 1nl3 n GLY 480 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nl3 s VAL 481 N 0.45 0.14 -0.03 1.61 1.01 -1.26 -0.80 120.40 121.52 1nl3 s VAL 481 Ca 0.74 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.89 1nl3 s VAL 481 Cb -0.67 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1nl3 s VAL 481 CO 0.44 0.17 0.02 -0.89 0.00 0.00 0.00 175.10 174.83 1nl3 s THR 482 N 1.44 0.08 -0.35 3.92 2.01 -0.05 -1.36 115.64 121.33 1nl3 s THR 482 Ca -0.04 0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 1nl3 s THR 482 Cb -0.13 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.19 1nl3 s THR 482 CO -0.03 0.15 0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 1nl3 s VAL 483 N 1.32 4.33 -0.39 3.82 1.01 0.47 -0.19 120.40 130.77 1nl3 s VAL 483 Ca -0.06 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1nl3 s VAL 483 Cb -0.13 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.94 1nl3 s VAL 483 CO -0.03 -0.16 0.19 0.00 0.00 0.00 0.00 175.10 175.10 1nl3 s ALA 484 N 1.52 3.15 0.12 5.51 0.00 0.46 -0.88 121.76 131.64 1nl3 s ALA 484 Ca 0.01 -2.17 -0.19 0.00 0.00 0.00 0.00 51.96 49.62 1nl3 s ALA 484 Cb -0.19 -2.44 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 1nl3 s ALA 484 CO 0.05 -1.61 0.60 -0.08 0.00 0.00 0.00 175.76 174.73 1nl3 s THR 485 N 1.31 4.72 0.00 0.00 -1.32 -0.98 -2.65 115.64 116.72 1nl3 s THR 485 Ca 0.03 1.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.68 1nl3 s THR 485 Cb -0.22 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 1nl3 s THR 485 CO -0.00 0.43 0.00 0.59 -2.21 0.00 0.00 174.62 173.43 1nl3 n ASN 486 N 1.35 0.00 -1.95 8.08 3.02 0.12 -2.56 115.26 123.33 1nl3 n ASN 486 Ca -0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.24 1nl3 n ASN 486 Cb 0.51 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.75 1nl3 n ASN 486 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nl3 n MET 487 N 14.00 2.96 -1.58 3.52 2.81 -1.26 -4.71 117.12 132.86 1nl3 n MET 487 Ca 0.00 -3.69 -0.44 0.00 -1.81 0.00 0.00 57.70 51.75 1nl3 n MET 487 Cb 0.00 -2.19 -0.01 0.00 -0.71 0.00 0.00 33.22 30.31 1nl3 n MET 487 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nl3 n ALA 488 N -0.86 -0.33 -2.56 3.04 0.00 -1.06 -3.28 120.51 115.45 1nl3 n ALA 488 Ca 0.48 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 54.24 1nl3 n ALA 488 Cb 0.90 -2.00 0.02 0.00 0.00 0.00 0.00 19.45 18.37 1nl3 n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nl3 n GLY 489 N 1.26 0.45 3.76 0.00 0.00 -1.26 -4.88 105.19 104.53 1nl3 n GLY 489 Ca 0.10 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1nl3 n GLY 489 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nl3 s ARG 490 N -4.85 4.52 0.00 1.61 3.52 -1.21 -3.87 118.95 118.67 1nl3 s ARG 490 Ca 0.07 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 1nl3 s ARG 490 Cb -0.03 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1nl3 s ARG 490 CO 0.17 0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.11 1nl3 n GLY 491 N 1.03 1.01 3.36 8.12 0.00 -1.26 -5.00 105.19 112.44 1nl3 n GLY 491 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1nl3 n GLY 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nl3 s THR 492 N -2.65 3.13 0.16 2.61 2.01 -1.25 -5.10 115.64 114.54 1nl3 s THR 492 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1nl3 s THR 492 Cb 0.00 -2.34 -0.07 0.00 0.01 0.00 0.00 72.50 70.10 1nl3 s THR 492 CO 0.00 0.51 0.99 -1.81 -0.69 0.00 0.00 174.62 173.61 1nl3 s ASP 493 N 0.59 7.48 -0.96 3.53 1.01 -1.26 -4.97 116.67 122.09 1nl3 s ASP 493 Ca -0.07 1.90 -0.24 0.00 0.71 0.00 0.00 52.55 54.85 1nl3 s ASP 493 Cb -0.15 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.21 1nl3 s ASP 493 CO 0.03 -0.05 1.50 -0.63 0.21 0.00 0.00 175.17 176.23 1nl3 s ILE 494 N -0.33 3.82 0.08 0.77 1.01 -1.26 -4.66 121.20 120.63 1nl3 s ILE 494 Ca 0.46 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 1nl3 s ILE 494 Cb -0.25 -4.88 -0.06 0.00 0.01 0.00 0.00 42.46 37.28 1nl3 s ILE 494 CO 0.32 -1.78 0.77 -0.69 0.00 0.00 0.00 174.94 173.56 1nl3 s VAL 495 N 5.84 4.62 0.23 2.92 1.01 -1.26 -4.87 120.40 128.89 1nl3 s VAL 495 Ca 0.48 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.82 1nl3 s VAL 495 Cb -0.02 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1nl3 s VAL 495 CO -0.05 0.41 1.40 -0.76 0.00 0.00 0.00 175.10 176.11 1nl3 s LEU 496 N -0.40 4.39 0.00 3.92 1.43 -1.26 -1.45 118.68 125.31 1nl3 s LEU 496 Ca 0.38 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 1nl3 s LEU 496 Cb -0.21 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1nl3 s LEU 496 CO 0.24 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1nl3 n GLY 497 N 2.31 2.96 0.00 -3.19 0.00 0.61 -4.68 105.19 103.21 1nl3 n GLY 497 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1nl3 n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nl3 n GLY 498 N -2.00 3.41 3.50 -0.02 0.00 -0.53 -4.68 105.19 104.87 1nl3 n GLY 498 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1nl3 n GLY 498 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nl3 s ASN 499 N 0.00 6.69 0.22 1.61 3.84 0.13 -4.71 114.94 122.72 1nl3 s ASN 499 Ca 0.00 -2.09 -0.15 0.00 0.21 0.00 0.00 52.86 50.83 1nl3 s ASN 499 Cb 0.00 -2.47 0.25 0.00 -0.55 0.00 0.00 41.25 38.49 1nl3 s ASN 499 CO 0.00 -1.14 1.59 0.58 -2.79 0.00 0.00 177.10 175.34 1nl3 h VAL 500 N 5.86 0.19 -0.52 -5.21 2.07 -1.93 0.52 116.25 117.25 1nl3 h VAL 500 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 1nl3 h VAL 500 Cb 0.98 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1nl3 h VAL 500 CO 1.26 0.00 0.24 0.44 0.02 0.00 0.00 177.57 179.53 1nl3 h ASP 501 N -0.05 0.32 -0.03 0.57 3.45 -1.98 -1.32 116.42 117.39 1nl3 h ASP 501 Ca 0.32 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.82 1nl3 h ASP 501 Cb 0.56 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1nl3 h ASP 501 CO -0.77 0.22 0.01 0.15 -1.57 0.00 0.00 179.24 177.28 1nl3 h PHE 502 N 0.47 0.04 -0.71 4.55 3.57 -1.78 -3.18 116.94 119.90 1nl3 h PHE 502 Ca 0.24 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1nl3 h PHE 502 Cb 0.18 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1nl3 h PHE 502 CO -0.12 0.23 0.21 -0.07 -2.23 0.00 0.00 178.31 176.33 1nl3 h LEU 503 N -0.16 1.04 -0.36 0.59 3.38 -0.66 -2.10 115.31 117.04 1nl3 h LEU 503 Ca 0.01 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1nl3 h LEU 503 Cb 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1nl3 h LEU 503 CO -0.00 0.98 0.14 0.74 0.09 0.00 0.00 178.44 180.39 1nl3 h THR 504 N 1.06 0.92 -0.20 0.22 2.02 -1.32 -1.55 112.91 114.06 1nl3 h THR 504 Ca 0.23 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1nl3 h THR 504 Cb 0.32 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1nl3 h THR 504 CO -0.01 0.06 -0.07 -0.78 0.37 0.00 0.00 175.52 175.09 1nl3 h ASP 505 N 0.30 0.29 -0.20 4.18 3.58 -1.47 -0.97 116.42 122.13 1nl3 h ASP 505 Ca 0.16 -0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.40 1nl3 h ASP 505 Cb 0.12 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1nl3 h ASP 505 CO -0.15 0.40 -0.50 -0.61 -2.88 0.00 0.00 179.24 175.49 1nl3 h GLN 506 N 0.30 0.69 0.30 0.28 4.15 -0.74 0.22 115.11 120.31 1nl3 h GLN 506 Ca 0.06 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1nl3 h GLN 506 Cb 0.31 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1nl3 h GLN 506 CO 0.01 1.10 -0.39 0.00 -1.93 0.00 0.00 178.83 177.62 1nl3 h ARG 507 N 0.39 -0.72 -0.65 1.69 3.08 -1.11 -1.35 114.38 115.70 1nl3 h ARG 507 Ca -0.01 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1nl3 h ARG 507 Cb 1.12 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 1nl3 h ARG 507 CO 0.11 -0.48 0.43 -0.07 -1.07 0.00 0.00 179.97 178.89 1nl3 h LEU 508 N -0.75 0.49 -0.52 3.04 4.07 -0.85 -1.06 115.31 119.74 1nl3 h LEU 508 Ca -0.01 0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.79 1nl3 h LEU 508 Cb 0.70 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 1nl3 h LEU 508 CO -0.12 0.30 -0.74 0.03 -1.08 0.00 0.00 178.44 176.84 1nl3 h ARG 509 N 0.55 0.07 0.00 1.13 3.08 -0.68 -2.08 114.38 116.45 1nl3 h ARG 509 Ca 0.29 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1nl3 h ARG 509 Cb 0.43 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nl3 h ARG 509 CO -0.09 0.77 0.00 0.93 -1.07 0.00 0.00 179.97 180.51 1nl3 h GLU 510 N 0.04 0.00 -0.65 0.04 5.08 -0.03 -2.15 114.58 116.91 1nl3 h GLU 510 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nl3 h GLU 510 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1nl3 h GLU 510 CO 0.10 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.65 1nl3 n ARG 511 N -3.06 3.65 -1.14 2.33 1.74 -1.03 -4.90 116.66 114.25 1nl3 n ARG 511 Ca -0.02 -2.72 -0.05 0.00 -0.77 0.00 0.00 57.85 54.29 1nl3 n ARG 511 Cb 0.12 -1.89 -0.02 0.00 -1.02 0.00 0.00 32.46 29.65 1nl3 n ARG 511 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nl3 n GLY 512 N 1.08 0.69 3.77 -0.13 0.00 -0.81 -5.00 105.19 104.80 1nl3 n GLY 512 Ca 0.25 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1nl3 n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nl3 s LEU 513 N -1.10 4.55 -0.04 0.99 1.43 -0.81 -4.92 118.68 118.78 1nl3 s LEU 513 Ca 0.00 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 1nl3 s LEU 513 Cb 0.00 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 43.04 1nl3 s LEU 513 CO 0.00 0.17 0.08 -0.62 0.23 0.00 0.00 176.35 176.21 1nl3 s ASP 514 N -0.88 -0.01 0.34 2.29 -1.08 -1.26 -3.84 116.67 112.23 1nl3 s ASP 514 Ca 0.35 0.15 0.03 0.00 -0.52 0.00 0.00 52.55 52.56 1nl3 s ASP 514 Cb -0.22 0.04 0.65 0.00 -1.46 0.00 0.00 42.92 41.93 1nl3 s ASP 514 CO 0.24 -0.13 1.96 -0.65 0.52 0.00 0.00 175.17 177.11 1nl3 h PRO 515 N 7.22 0.84 0.04 4.34 0.11 -1.90 0.52 132.00 143.17 1nl3 h PRO 515 Ca -0.44 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1nl3 h PRO 515 Cb 1.13 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1nl3 h PRO 515 CO 0.46 0.56 -0.58 0.28 -0.21 0.00 0.00 178.00 178.51 1nl3 h VAL 516 N 0.87 1.47 -0.20 3.15 2.07 -1.94 -3.30 116.25 118.36 1nl3 h VAL 516 Ca 0.31 -2.35 -0.16 0.00 0.82 0.00 0.00 66.70 65.32 1nl3 h VAL 516 Cb 0.12 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1nl3 h VAL 516 CO -0.09 0.58 -0.52 -0.33 0.02 0.00 0.00 177.57 177.22 1nl3 h GLU 517 N -0.81 0.58 -2.17 1.57 4.39 -1.93 -3.35 114.58 112.86 1nl3 h GLU 517 Ca -0.14 -0.35 -0.58 0.00 0.34 0.00 0.00 59.36 58.63 1nl3 h GLU 517 Cb 1.27 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.56 1nl3 h GLU 517 CO -0.01 0.96 -0.92 0.25 -1.16 0.00 0.00 179.01 178.13 1nl3 n THR 518 N -3.97 0.19 0.27 1.13 -2.24 0.18 -4.95 114.28 104.89 1nl3 n THR 518 Ca -0.03 -4.31 -0.16 0.00 -2.27 0.00 0.00 64.05 57.28 1nl3 n THR 518 Cb 0.59 -1.97 -0.08 0.00 -2.10 0.00 0.00 70.33 66.77 1nl3 n THR 518 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1nl3 h PRO 519 N 4.36 -0.61 -0.43 -0.78 0.11 -1.64 0.59 132.00 133.60 1nl3 h PRO 519 Ca 0.14 0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.17 1nl3 h PRO 519 Cb 0.82 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1nl3 h PRO 519 CO 0.56 -0.39 -0.21 1.49 -0.21 0.00 0.00 178.00 179.25 1nl3 h GLU 520 N -0.67 0.90 -0.55 1.05 4.81 -1.91 -0.83 114.58 117.38 1nl3 h GLU 520 Ca -0.06 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 1nl3 h GLU 520 Cb 0.50 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1nl3 h GLU 520 CO 0.11 1.05 -0.09 0.93 -0.73 0.00 0.00 179.01 180.27 1nl3 h GLU 521 N 0.73 1.03 -0.07 1.92 5.08 -1.94 -2.33 114.58 119.01 1nl3 h GLU 521 Ca 0.10 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1nl3 h GLU 521 Cb 0.78 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1nl3 h GLU 521 CO 0.06 1.07 0.02 -0.92 -1.00 0.00 0.00 179.01 178.24 1nl3 h TYR 522 N 0.91 0.04 -0.08 4.33 5.03 -0.46 -2.21 116.97 124.54 1nl3 h TYR 522 Ca 0.15 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.50 1nl3 h TYR 522 Cb 0.66 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 1nl3 h TYR 522 CO 0.05 0.02 -0.29 0.93 -1.32 0.00 0.00 178.16 177.55 1nl3 h GLU 523 N 0.06 -0.37 -0.61 1.82 4.39 -1.07 0.62 114.58 119.41 1nl3 h GLU 523 Ca 0.03 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1nl3 h GLU 523 Cb 0.01 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1nl3 h GLU 523 CO -0.03 -0.25 0.23 0.00 -1.16 0.00 0.00 179.01 177.81 1nl3 h ALA 524 N 0.45 1.26 -0.10 3.43 0.00 -1.31 -1.52 119.26 121.47 1nl3 h ALA 524 Ca 0.09 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1nl3 h ALA 524 Cb 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nl3 h ALA 524 CO -0.30 0.54 -0.78 0.00 0.00 0.00 0.00 179.25 178.71 1nl3 h ALA 525 N 1.37 0.44 -0.55 0.00 0.00 -1.17 -2.96 119.26 116.39 1nl3 h ALA 525 Ca 0.21 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1nl3 h ALA 525 Cb 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nl3 h ALA 525 CO -0.02 0.73 0.32 2.35 0.00 0.00 0.00 179.25 182.63 1nl3 h TRP 526 N 0.39 0.74 -0.56 0.00 2.91 -0.46 0.14 115.95 119.10 1nl3 h TRP 526 Ca -0.05 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 1nl3 h TRP 526 Cb 1.38 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.77 1nl3 h TRP 526 CO 0.06 0.52 0.19 0.45 -1.03 0.00 0.00 178.44 178.64 1nl3 h HIS 527 N 0.74 0.85 0.00 2.65 3.86 -1.23 -2.03 115.15 119.99 1nl3 h HIS 527 Ca 0.20 -0.06 -0.18 0.00 -1.16 0.00 0.00 60.37 59.16 1nl3 h HIS 527 Cb 0.02 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1nl3 h HIS 527 CO -0.02 0.68 -1.09 0.66 0.86 0.00 0.00 177.93 179.03 1nl3 h SER 528 N 0.82 0.00 0.46 2.45 4.64 -1.33 -3.39 113.55 117.20 1nl3 h SER 528 Ca 0.19 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.20 1nl3 h SER 528 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1nl3 h SER 528 CO -0.01 0.75 -1.37 -0.08 -0.87 0.00 0.00 176.83 175.26 1nl3 h GLU 529 N 0.00 0.39 -0.23 4.77 4.57 -0.56 -3.36 114.58 120.15 1nl3 h GLU 529 Ca -0.10 -0.67 0.06 0.00 -1.18 0.00 0.00 59.36 57.48 1nl3 h GLU 529 Cb 1.66 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 30.43 1nl3 h GLU 529 CO 0.08 1.31 -0.26 1.25 -1.18 0.00 0.00 179.01 180.22 1nl3 h LEU 530 N 0.11 -0.82 -2.22 1.64 5.85 -1.56 -0.67 115.31 117.64 1nl3 h LEU 530 Ca -0.19 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1nl3 h LEU 530 Cb 2.06 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 43.47 1nl3 h LEU 530 CO 0.23 -0.29 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.34 1nl3 h PRO 531 N -0.27 0.00 0.05 5.25 0.11 -1.78 -0.88 132.00 134.48 1nl3 h PRO 531 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1nl3 h PRO 531 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1nl3 h PRO 531 CO -0.38 0.05 -0.02 0.82 -0.21 0.00 0.00 178.00 178.25 1nl3 h ILE 532 N 0.00 1.25 -0.93 4.15 2.04 -1.46 -2.39 117.51 120.17 1nl3 h ILE 532 Ca -0.00 -1.60 0.05 0.00 1.00 0.00 0.00 64.86 64.31 1nl3 h ILE 532 Cb 0.14 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1nl3 h ILE 532 CO 0.01 0.37 0.60 0.58 0.00 0.00 0.00 178.15 179.70 1nl3 h VAL 533 N -0.86 1.10 -0.22 1.67 2.07 -0.56 -1.35 116.25 118.10 1nl3 h VAL 533 Ca -0.01 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1nl3 h VAL 533 Cb 0.66 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1nl3 h VAL 533 CO 0.01 0.20 -0.13 0.50 0.02 0.00 0.00 177.57 178.17 1nl3 h LYS 534 N 1.11 -0.12 0.10 1.57 3.64 -1.26 -1.32 116.57 120.29 1nl3 h LYS 534 Ca 0.39 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1nl3 h LYS 534 Cb 0.11 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1nl3 h LYS 534 CO -0.15 -0.08 -0.19 0.93 -2.27 0.00 0.00 179.45 177.69 1nl3 h GLU 535 N -0.12 -0.30 -1.05 1.90 4.39 -0.73 0.02 114.58 118.70 1nl3 h GLU 535 Ca 0.12 0.02 0.37 0.00 0.34 0.00 0.00 59.36 60.21 1nl3 h GLU 535 Cb 0.30 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 28.87 1nl3 h GLU 535 CO -0.29 -0.20 0.60 0.93 -1.16 0.00 0.00 179.01 178.89 1nl3 h GLU 536 N -0.31 0.18 0.06 2.33 5.08 -1.28 -2.16 114.58 118.47 1nl3 h GLU 536 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nl3 h GLU 536 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nl3 h GLU 536 CO -0.07 0.12 -0.03 0.00 -1.00 0.00 0.00 179.01 178.03 1nl3 h ALA 537 N 1.86 -0.47 -0.64 3.43 0.00 -1.13 -3.41 119.26 118.90 1nl3 h ALA 537 Ca 0.78 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.91 1nl3 h ALA 537 Cb 2.00 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.70 1nl3 h ALA 537 CO -0.63 -0.46 0.21 0.43 0.00 0.00 0.00 179.25 178.80 1nl3 n SER 538 N -2.40 0.10 -0.21 0.00 7.64 -0.02 -0.54 113.62 118.20 1nl3 n SER 538 Ca -0.01 1.08 -0.01 0.00 1.01 0.00 0.00 58.87 60.94 1nl3 n SER 538 Cb 0.03 -0.47 0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1nl3 n SER 538 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1nl3 h LYS 539 N 0.00 -0.00 -0.01 1.43 5.09 -1.78 -2.49 116.57 118.81 1nl3 h LYS 539 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.22 1nl3 h LYS 539 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 1nl3 h LYS 539 CO -0.54 -0.00 -0.44 -0.85 -2.09 0.00 0.00 179.45 175.53 1nl3 n GLU 540 N -5.43 0.80 -0.11 0.07 0.28 0.30 -3.23 120.64 113.33 1nl3 n GLU 540 Ca 0.07 -0.58 -0.11 0.00 -0.16 0.00 0.00 57.16 56.39 1nl3 n GLU 540 Cb 0.32 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.68 1nl3 n GLU 540 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nl3 h ALA 541 N 3.62 0.42 -0.81 -1.84 0.00 -1.34 0.47 119.26 119.78 1nl3 h ALA 541 Ca 0.00 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.86 1nl3 h ALA 541 Cb 0.60 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1nl3 h ALA 541 CO 0.00 0.13 0.33 0.87 0.00 0.00 0.00 179.25 180.59 1nl3 h LYS 542 N 0.35 0.43 -0.07 0.00 6.56 -1.43 -1.03 116.57 121.39 1nl3 h LYS 542 Ca 0.09 -0.03 -0.20 0.00 -1.06 0.00 0.00 60.65 59.46 1nl3 h LYS 542 Cb 0.38 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1nl3 h LYS 542 CO 0.01 0.28 -0.79 0.93 -2.06 0.00 0.00 179.45 177.82 1nl3 h GLU 543 N 0.44 0.46 -0.26 3.15 4.39 -1.50 -1.89 114.58 119.36 1nl3 h GLU 543 Ca 0.46 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1nl3 h GLU 543 Cb 0.75 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1nl3 h GLU 543 CO -0.44 1.04 -0.31 0.28 -1.16 0.00 0.00 179.01 178.42 1nl3 h VAL 544 N 0.30 1.28 -0.42 3.13 2.07 -0.50 -2.03 116.25 120.08 1nl3 h VAL 544 Ca -0.05 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1nl3 h VAL 544 Cb 1.39 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1nl3 h VAL 544 CO 0.14 0.45 0.13 0.40 0.02 0.00 0.00 177.57 178.70 1nl3 h ILE 545 N 0.47 1.22 -0.80 4.57 2.04 -1.13 -0.76 117.51 123.13 1nl3 h ILE 545 Ca 0.06 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.27 1nl3 h ILE 545 Cb 0.77 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1nl3 h ILE 545 CO 0.06 0.26 0.52 -0.08 0.00 0.00 0.00 178.15 178.91 1nl3 h GLU 546 N 0.54 0.78 0.00 2.37 4.57 -1.22 -2.25 114.58 119.37 1nl3 h GLU 546 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1nl3 h GLU 546 Cb 0.27 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1nl3 h GLU 546 CO -0.00 0.52 0.00 0.00 -1.18 0.00 0.00 179.01 178.34 1nl3 n ALA 547 N -2.43 2.02 0.00 2.92 0.00 -0.77 -4.85 120.51 117.40 1nl3 n ALA 547 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1nl3 n ALA 547 Cb 0.27 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1nl3 n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nl3 n GLY 548 N 0.78 1.31 4.19 0.00 0.00 -0.85 -4.66 105.19 105.96 1nl3 n GLY 548 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1nl3 n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nl3 n GLY 549 N -0.13 -1.78 3.74 -0.02 0.00 -0.33 -2.91 105.19 103.76 1nl3 n GLY 549 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1nl3 n GLY 549 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nl3 n LEU 550 N 0.00 4.19 -4.29 0.99 7.94 -1.26 -4.49 117.00 120.08 1nl3 n LEU 550 Ca 0.00 1.19 -0.35 0.00 -1.11 0.00 0.00 56.01 55.74 1nl3 n LEU 550 Cb 0.15 -1.56 -0.14 0.00 0.53 0.00 0.00 43.42 42.40 1nl3 n LEU 550 CO 0.00 -0.07 -0.38 -0.47 -1.11 0.00 0.00 177.39 175.36 1nl3 s TYR 551 N -0.70 2.98 -0.32 1.96 5.04 -0.45 -2.42 117.35 123.44 1nl3 s TYR 551 Ca 0.58 -1.05 -0.09 0.00 -2.44 0.00 0.00 57.07 54.07 1nl3 s TYR 551 Cb -0.52 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 39.68 1nl3 s TYR 551 CO 0.58 -0.58 0.15 0.08 -1.34 0.00 0.00 175.55 174.44 1nl3 s VAL 552 N 1.45 4.52 -0.25 3.14 1.01 -0.35 -0.89 120.40 129.03 1nl3 s VAL 552 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1nl3 s VAL 552 Cb -0.15 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1nl3 s VAL 552 CO -0.03 0.02 -0.03 -0.22 0.00 0.00 0.00 175.10 174.84 1nl3 s LEU 553 N 1.59 3.28 0.03 3.92 0.20 0.34 -0.93 118.68 127.11 1nl3 s LEU 553 Ca 0.04 -0.75 -0.14 0.00 0.69 0.00 0.00 54.13 53.97 1nl3 s LEU 553 Cb -0.17 -1.73 -0.06 0.00 -0.43 0.00 0.00 46.19 43.80 1nl3 s LEU 553 CO 0.06 -0.12 0.43 -0.83 -0.29 0.00 0.00 176.35 175.60 1nl3 s GLY 554 N 1.39 2.47 -0.14 7.98 0.00 0.59 -1.28 107.32 118.33 1nl3 s GLY 554 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 44.72 44.63 1nl3 s GLY 554 CO -0.03 0.13 0.01 2.41 0.00 0.00 0.00 173.10 175.62 1nl3 n THR 555 N 1.60 0.97 -4.10 0.90 -1.04 -0.67 0.47 114.28 112.41 1nl3 n THR 555 Ca -0.12 -0.55 -0.16 0.00 -2.04 0.00 0.00 64.05 61.18 1nl3 n THR 555 Cb 0.52 -0.72 -0.04 0.00 -1.82 0.00 0.00 70.33 68.27 1nl3 n THR 555 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1nl3 s GLU 556 N -2.34 1.99 -0.01 -2.82 -1.05 -1.26 -4.53 118.70 108.68 1nl3 s GLU 556 Ca -0.10 -1.83 -0.10 0.00 -0.15 0.00 0.00 54.97 52.79 1nl3 s GLU 556 Cb 0.04 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 34.13 1nl3 s GLU 556 CO 0.54 -0.83 0.31 1.03 0.95 0.00 0.00 175.26 177.26 1nl3 s ARG 557 N -2.90 3.70 0.95 -4.83 0.52 -1.26 -4.92 118.95 110.21 1nl3 s ARG 557 Ca 0.31 0.13 -0.15 0.00 -0.52 0.00 0.00 55.73 55.50 1nl3 s ARG 557 Cb -0.01 -3.14 0.21 0.00 0.52 0.00 0.00 34.95 32.53 1nl3 s ARG 557 CO 0.22 0.68 1.30 -1.01 0.02 0.00 0.00 175.30 176.51 1nl3 s HIS 558 N -1.17 1.42 -1.79 -0.53 3.76 -1.26 -4.90 115.29 110.82 1nl3 s HIS 558 Ca 0.24 0.19 0.21 0.00 -0.15 0.00 0.00 55.06 55.55 1nl3 s HIS 558 Cb -0.14 -4.05 1.17 0.00 1.11 0.00 0.00 32.58 30.66 1nl3 s HIS 558 CO 0.13 -2.64 1.64 0.39 -0.85 0.00 0.00 174.74 173.40 1nl3 n GLU 559 N -3.71 0.52 -3.58 1.40 1.02 -1.26 -4.58 120.64 110.45 1nl3 n GLU 559 Ca 0.16 0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 57.17 1nl3 n GLU 559 Cb 0.59 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 1nl3 n GLU 559 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nl3 s SER 560 N -2.21 -0.63 0.50 1.62 1.04 -1.26 -3.48 113.70 109.29 1nl3 s SER 560 Ca 0.27 0.87 0.20 0.00 0.48 0.00 0.00 55.95 57.77 1nl3 s SER 560 Cb 0.14 0.79 1.28 0.00 0.10 0.00 0.00 66.02 68.33 1nl3 s SER 560 CO 0.27 -0.47 2.02 -0.09 0.98 0.00 0.00 173.24 175.95 1nl3 h ARG 561 N 3.78 0.10 -0.23 4.02 9.65 -1.90 -2.52 114.38 127.28 1nl3 h ARG 561 Ca -0.28 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.65 1nl3 h ARG 561 Cb 1.15 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.65 1nl3 h ARG 561 CO 0.29 0.07 -0.15 -0.09 2.80 0.00 0.00 179.97 182.88 1nl3 h ARG 562 N 0.11 -0.14 -0.38 0.20 2.43 -1.96 -0.61 114.38 114.03 1nl3 h ARG 562 Ca 0.21 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1nl3 h ARG 562 Cb 0.68 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1nl3 h ARG 562 CO -0.02 -0.09 0.13 0.82 -1.51 0.00 0.00 179.97 179.29 1nl3 h ILE 563 N -0.14 1.21 -0.86 1.20 1.08 -1.86 -1.23 117.51 116.91 1nl3 h ILE 563 Ca 0.13 -0.66 0.22 0.00 -0.39 0.00 0.00 64.86 64.16 1nl3 h ILE 563 Cb 0.34 0.93 -0.14 0.00 -3.07 0.00 0.00 36.82 34.88 1nl3 h ILE 563 CO -0.32 0.23 0.16 0.44 -0.69 0.00 0.00 178.15 177.97 1nl3 h ASP 564 N 0.46 -0.13 -0.11 1.72 3.45 -1.31 0.30 116.42 120.81 1nl3 h ASP 564 Ca 0.12 0.20 -0.09 0.00 0.43 0.00 0.00 57.03 57.70 1nl3 h ASP 564 Cb 0.23 0.31 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 1nl3 h ASP 564 CO -0.01 -0.18 -0.20 0.78 -1.57 0.00 0.00 179.24 178.06 1nl3 h ASN 565 N 0.16 0.51 -0.33 6.45 2.35 0.02 -2.80 115.58 121.95 1nl3 h ASN 565 Ca 0.52 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1nl3 h ASN 565 Cb 1.03 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 1nl3 h ASN 565 CO -0.68 0.73 0.21 1.56 -1.65 0.00 0.00 177.43 177.59 1nl3 h GLN 566 N 0.47 0.45 0.61 0.81 4.20 -0.09 -0.58 115.11 120.97 1nl3 h GLN 566 Ca 0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1nl3 h GLN 566 Cb 0.62 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1nl3 h GLN 566 CO 0.04 0.33 -0.50 1.25 -0.67 0.00 0.00 178.83 179.28 1nl3 h LEU 567 N 0.44 -1.33 -0.98 1.46 5.85 -1.33 -2.07 115.31 117.36 1nl3 h LEU 567 Ca 0.12 0.10 0.31 0.00 0.84 0.00 0.00 57.88 59.24 1nl3 h LEU 567 Cb -0.01 0.42 -0.15 0.00 0.37 0.00 0.00 40.66 41.29 1nl3 h LEU 567 CO -0.02 -0.70 0.48 0.03 -0.34 0.00 0.00 178.44 177.89 1nl3 h ARG 568 N -1.08 0.26 0.00 1.25 3.08 -1.29 0.89 114.38 117.50 1nl3 h ARG 568 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1nl3 h ARG 568 Cb 0.91 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1nl3 h ARG 568 CO -0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1nl3 n GLY 569 N -1.31 -0.62 0.19 0.04 0.00 -0.24 -2.29 105.19 100.95 1nl3 n GLY 569 Ca 0.30 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1nl3 n GLY 569 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nl3 h ARG 570 N 0.00 0.49 -7.37 1.61 2.47 -0.69 -3.43 114.38 107.46 1nl3 h ARG 570 Ca 0.00 -0.40 -0.50 0.00 -1.26 0.00 0.00 59.98 57.82 1nl3 h ARG 570 Cb 0.05 0.08 0.10 0.00 -1.65 0.00 0.00 29.97 28.55 1nl3 h ARG 570 CO 0.00 1.03 0.36 0.45 0.56 0.00 0.00 179.97 182.38 1nl3 s SER 571 N -7.00 5.14 -0.36 7.04 0.15 -0.97 -4.52 113.70 113.18 1nl3 s SER 571 Ca -0.07 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1nl3 s SER 571 Cb 0.10 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1nl3 s SER 571 CO 0.85 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1nl3 n GLY 572 N -2.13 0.35 3.59 9.45 0.00 -1.26 -4.97 105.19 110.21 1nl3 n GLY 572 Ca 0.07 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1nl3 n GLY 572 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nl3 n ARG 573 N -1.82 1.16 -3.32 1.61 1.74 -1.26 -4.01 116.66 110.76 1nl3 n ARG 573 Ca -0.04 0.42 -0.18 0.00 -0.77 0.00 0.00 57.85 57.28 1nl3 n ARG 573 Cb 0.42 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 1nl3 n ARG 573 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1nl3 n GLN 574 N -0.10 -0.93 0.00 5.56 1.13 -1.26 0.59 117.38 122.37 1nl3 n GLN 574 Ca 0.11 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1nl3 n GLN 574 Cb 0.42 -2.04 0.00 0.00 0.11 0.00 0.00 30.24 28.73 1nl3 n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nl3 n GLY 575 N -1.48 3.31 3.50 1.08 0.00 -1.26 -4.82 105.19 105.52 1nl3 n GLY 575 Ca -0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.46 1nl3 n GLY 575 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nl3 n ASP 576 N 0.03 0.06 -4.60 1.61 8.00 0.20 -4.50 116.55 117.35 1nl3 n ASP 576 Ca 0.00 1.15 -0.34 0.00 0.71 0.00 0.00 54.79 56.31 1nl3 n ASP 576 Cb 0.00 -1.12 0.11 0.00 -0.02 0.00 0.00 41.12 40.09 1nl3 n ASP 576 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1nl3 n PRO 577 N 0.91 0.20 0.00 -0.24 -0.04 -1.26 -4.29 135.00 130.28 1nl3 n PRO 577 Ca 0.14 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1nl3 n PRO 577 Cb 0.28 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1nl3 n PRO 577 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nl3 n GLY 578 N 0.96 0.47 3.29 0.55 0.00 -1.15 -4.00 105.19 105.32 1nl3 n GLY 578 Ca 0.12 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1nl3 n GLY 578 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nl3 s GLU 579 N -2.00 0.44 0.11 1.61 2.12 -1.02 -0.12 118.70 119.84 1nl3 s GLU 579 Ca 0.00 0.69 0.07 0.00 0.36 0.00 0.00 54.97 56.09 1nl3 s GLU 579 Cb 0.00 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 1nl3 s GLU 579 CO 0.00 -0.11 -0.16 -1.54 -0.54 0.00 0.00 175.26 172.91 1nl3 s SER 580 N 0.83 2.13 -0.16 -1.70 1.04 -0.23 -1.21 113.70 114.40 1nl3 s SER 580 Ca -0.05 -0.72 -0.24 0.00 0.48 0.00 0.00 55.95 55.42 1nl3 s SER 580 Cb -0.06 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.03 1nl3 s SER 580 CO -0.06 -0.06 0.61 -0.60 0.98 0.00 0.00 173.24 174.11 1nl3 s ARG 581 N -2.19 0.81 -0.11 4.02 3.52 -0.10 0.18 118.95 125.07 1nl3 s ARG 581 Ca 0.06 0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 1nl3 s ARG 581 Cb -0.08 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 1nl3 s ARG 581 CO 0.04 -0.16 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.30 1nl3 s PHE 582 N -0.23 3.14 -0.29 5.12 0.40 -1.26 -0.30 117.98 124.56 1nl3 s PHE 582 Ca -0.04 0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 1nl3 s PHE 582 Cb -0.03 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1nl3 s PHE 582 CO 0.04 0.33 0.16 0.71 0.70 0.00 0.00 175.22 177.15 1nl3 s TYR 583 N -0.48 3.18 0.39 0.36 1.51 0.18 -1.83 117.35 120.66 1nl3 s TYR 583 Ca 0.08 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 1nl3 s TYR 583 Cb -0.12 -2.36 -0.07 0.00 -0.11 0.00 0.00 41.96 39.31 1nl3 s TYR 583 CO 0.02 -0.30 0.04 -0.51 -1.11 0.00 0.00 175.55 173.68 1nl3 s LEU 584 N 1.69 2.93 0.17 -1.29 1.43 0.81 -4.00 118.68 120.42 1nl3 s LEU 584 Ca 0.06 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 1nl3 s LEU 584 Cb -0.16 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1nl3 s LEU 584 CO 0.08 -0.41 0.47 -0.94 0.23 0.00 0.00 176.35 175.79 1nl3 s SER 585 N -3.74 -0.25 0.00 2.29 1.04 -1.26 -0.42 113.70 111.36 1nl3 s SER 585 Ca 0.36 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.40 1nl3 s SER 585 Cb 0.06 0.54 0.24 0.00 0.10 0.00 0.00 66.02 66.96 1nl3 s SER 585 CO 0.19 -0.98 1.10 0.18 0.98 0.00 0.00 173.24 174.71 1nl3 n LEU 586 N -0.30 0.00 -0.15 2.42 4.77 -0.89 -2.36 117.00 120.50 1nl3 n LEU 586 Ca -0.12 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.92 1nl3 n LEU 586 Cb 0.63 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.81 1nl3 n LEU 586 CO 0.17 0.00 0.56 0.61 -1.33 0.00 0.00 177.39 177.40 1nl3 n GLY 587 N 0.50 3.90 3.77 -0.72 0.00 -1.26 -3.94 105.19 107.45 1nl3 n GLY 587 Ca 0.03 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1nl3 n GLY 587 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nl3 s ASP 588 N -1.91 5.68 0.26 1.61 1.01 -0.99 -4.80 116.67 117.53 1nl3 s ASP 588 Ca 0.19 2.17 -0.04 0.00 0.71 0.00 0.00 52.55 55.58 1nl3 s ASP 588 Cb 0.16 -2.58 0.53 0.00 1.01 0.00 0.00 42.92 42.04 1nl3 s ASP 588 CO 0.03 -1.25 1.62 -0.08 0.21 0.00 0.00 175.17 175.70 1nl3 h GLU 589 N 1.12 0.08 0.24 8.23 4.81 -1.96 0.02 114.58 127.13 1nl3 h GLU 589 Ca -0.50 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1nl3 h GLU 589 Cb 1.26 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1nl3 h GLU 589 CO 0.57 0.06 -0.18 1.25 -0.73 0.00 0.00 179.01 179.98 1nl3 h LEU 590 N 0.09 -0.45 -1.23 1.64 5.85 -1.91 -0.87 115.31 118.43 1nl3 h LEU 590 Ca 0.47 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.19 1nl3 h LEU 590 Cb 0.87 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1nl3 h LEU 590 CO -0.74 -0.28 0.14 0.24 -0.34 0.00 0.00 178.44 177.46 1nl3 h MET 591 N -0.42 0.67 0.00 1.25 2.86 -1.58 -2.46 114.93 115.24 1nl3 h MET 591 Ca -0.02 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1nl3 h MET 591 Cb 0.37 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1nl3 h MET 591 CO -0.00 0.59 -0.26 -0.09 1.06 0.00 0.00 176.91 178.21 1nl3 h ARG 592 N 0.66 0.00 0.00 1.72 2.43 -0.68 -0.06 114.38 118.45 1nl3 h ARG 592 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1nl3 h ARG 592 Cb 0.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1nl3 h ARG 592 CO -0.01 0.26 -0.07 0.00 -1.51 0.00 0.00 179.97 178.64 1nl3 h ARG 593 N 0.00 0.00 0.00 0.20 3.08 -0.67 -3.45 114.38 113.54 1nl3 h ARG 593 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nl3 h ARG 593 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1nl3 h ARG 593 CO 0.03 0.07 0.00 1.19 -1.07 0.00 0.00 179.97 180.19 1nl3 n PHE 594 N -3.39 0.00 -0.01 3.04 3.72 -0.21 -5.04 117.46 115.57 1nl3 n PHE 594 Ca -0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 1nl3 n PHE 594 Cb 0.22 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.04 1nl3 n PHE 594 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1nl3 n ASN 595 N 0.00 3.42 -0.32 4.37 6.94 -1.11 -4.66 115.26 123.90 1nl3 n ASN 595 Ca 0.00 -2.00 0.11 0.00 -0.02 0.00 0.00 54.58 52.67 1nl3 n ASN 595 Cb 0.00 -0.42 0.28 0.00 -2.36 0.00 0.00 39.78 37.29 1nl3 n ASN 595 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1nl3 h GLY 596 N 4.60 1.56 1.62 4.83 0.00 -1.33 -1.19 103.07 113.16 1nl3 h GLY 596 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1nl3 h GLY 596 CO 0.00 -0.12 -0.64 0.00 0.00 0.00 0.00 176.54 175.79 1nl3 h ALA 597 N 1.63 0.71 -0.75 3.60 0.00 -1.81 -2.82 119.26 119.83 1nl3 h ALA 597 Ca 0.53 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nl3 h ALA 597 Cb 0.86 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1nl3 h ALA 597 CO -0.42 0.73 0.47 0.00 0.00 0.00 0.00 179.25 180.03 1nl3 h ALA 598 N 1.04 0.99 -0.80 0.00 0.00 -1.58 -2.69 119.26 116.21 1nl3 h ALA 598 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1nl3 h ALA 598 Cb 1.18 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1nl3 h ALA 598 CO 0.11 0.26 0.37 -0.07 0.00 0.00 0.00 179.25 179.91 1nl3 h LEU 599 N 0.91 1.06 -0.56 0.00 4.07 -1.21 -2.62 115.31 116.95 1nl3 h LEU 599 Ca 0.31 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1nl3 h LEU 599 Cb 0.04 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1nl3 h LEU 599 CO -0.12 0.91 -0.36 1.05 -1.08 0.00 0.00 178.44 178.83 1nl3 h GLU 600 N 1.15 0.00 0.16 1.13 -0.00 -1.42 0.48 114.58 116.08 1nl3 h GLU 600 Ca 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 1nl3 h GLU 600 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.89 1nl3 h GLU 600 CO -0.03 0.36 -0.08 1.15 -0.00 0.00 0.00 179.01 180.41 1nl3 h THR 601 N 0.00 0.90 0.18 -1.06 2.02 -1.24 -2.10 112.91 111.61 1nl3 h THR 601 Ca -0.00 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1nl3 h THR 601 Cb 1.06 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1nl3 h THR 601 CO 0.05 0.07 -0.31 0.25 0.37 0.00 0.00 175.52 175.94 1nl3 h LEU 602 N -0.36 -0.89 -0.72 2.58 5.85 -1.11 -2.54 115.31 118.12 1nl3 h LEU 602 Ca -0.02 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1nl3 h LEU 602 Cb 0.28 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1nl3 h LEU 602 CO 0.04 -0.41 0.46 -0.07 -0.34 0.00 0.00 178.44 178.11 1nl3 h LEU 603 N -0.57 0.77 -0.84 2.25 4.07 -0.89 -1.61 115.31 118.49 1nl3 h LEU 603 Ca 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1nl3 h LEU 603 Cb 0.58 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 1nl3 h LEU 603 CO -0.15 0.54 0.40 0.74 -1.08 0.00 0.00 178.44 178.89 1nl3 h THR 604 N 0.91 1.26 0.00 0.22 2.02 -1.35 -1.79 112.91 114.18 1nl3 h THR 604 Ca 0.28 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1nl3 h THR 604 Cb -0.02 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1nl3 h THR 604 CO -0.10 0.31 -0.02 0.03 0.37 0.00 0.00 175.52 176.12 1nl3 h ARG 605 N 1.19 0.00 -0.16 6.66 3.08 -0.87 -0.28 114.38 124.00 1nl3 h ARG 605 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1nl3 h ARG 605 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1nl3 h ARG 605 CO -0.04 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 1nl3 n LEU 606 N -3.89 1.52 -0.60 3.04 4.77 -0.68 -4.95 117.00 116.20 1nl3 n LEU 606 Ca -0.03 -0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 1nl3 n LEU 606 Cb 0.10 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1nl3 n LEU 606 CO 0.28 0.32 -0.07 0.59 -1.33 0.00 0.00 177.39 177.18 1nl3 n ASN 607 N 0.23 -4.84 -4.70 -1.43 3.02 -0.12 -4.99 115.26 102.44 1nl3 n ASN 607 Ca 0.15 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.48 1nl3 n ASN 607 Cb 0.30 -3.02 -0.03 0.00 -0.61 0.00 0.00 39.78 36.42 1nl3 n ASN 607 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1nl3 s LEU 608 N -1.77 4.35 0.52 3.41 2.96 -1.15 -4.97 118.68 122.03 1nl3 s LEU 608 Ca 0.00 2.35 -0.22 0.00 -0.22 0.00 0.00 54.13 56.04 1nl3 s LEU 608 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 1nl3 s LEU 608 CO 0.00 -0.79 1.32 -2.84 -1.32 0.00 0.00 176.35 172.71 1nl3 s PRO 609 N 2.20 3.29 0.35 0.98 0.02 -1.26 -4.69 135.00 135.89 1nl3 s PRO 609 Ca 0.69 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.94 1nl3 s PRO 609 Cb -0.37 -2.30 0.83 0.00 0.02 0.00 0.00 34.50 32.68 1nl3 s PRO 609 CO 0.30 -1.04 1.83 -0.44 -0.33 0.00 0.00 177.00 177.32 1nl3 h ASP 610 N 1.61 0.67 -0.52 2.53 5.19 -2.00 -2.47 116.42 121.43 1nl3 h ASP 610 Ca -0.51 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1nl3 h ASP 610 Cb 1.29 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1nl3 h ASP 610 CO 0.58 0.29 0.00 -0.90 -3.12 0.00 0.00 179.24 176.09 1nl3 n ASP 611 N -4.62 2.81 -4.61 6.45 5.75 -1.26 -3.83 116.55 117.24 1nl3 n ASP 611 Ca 0.20 -2.02 -0.40 0.00 -0.01 0.00 0.00 54.79 52.56 1nl3 n ASP 611 Cb 0.56 -0.35 -0.08 0.00 -1.03 0.00 0.00 41.12 40.22 1nl3 n ASP 611 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nl3 s VAL 612 N -1.33 5.06 0.28 2.12 1.01 -0.93 -5.05 120.40 121.55 1nl3 s VAL 612 Ca 0.35 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1nl3 s VAL 612 Cb 0.18 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 1nl3 s VAL 612 CO 0.23 0.04 1.26 -2.65 0.00 0.00 0.00 175.10 173.98 1nl3 n PRO 613 N 5.57 1.84 -3.09 2.72 -0.02 -1.26 -4.65 135.00 136.10 1nl3 n PRO 613 Ca -0.04 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 1nl3 n PRO 613 Cb 0.50 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1nl3 n PRO 613 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nl3 s ILE 614 N -0.61 4.99 -0.32 4.25 1.01 0.33 -4.96 121.20 125.90 1nl3 s ILE 614 Ca 0.63 1.21 0.03 0.00 0.00 0.00 0.00 60.65 62.51 1nl3 s ILE 614 Cb -0.65 -3.96 0.09 0.00 0.01 0.00 0.00 42.46 37.95 1nl3 s ILE 614 CO 0.56 0.07 0.03 -1.61 0.00 0.00 0.00 174.94 173.99 1nl3 s GLU 615 N 2.16 1.51 -0.15 2.79 0.41 -1.26 -4.29 118.70 119.87 1nl3 s GLU 615 Ca 0.29 -1.65 -0.07 0.00 -0.41 0.00 0.00 54.97 53.12 1nl3 s GLU 615 Cb -0.16 -2.98 0.06 0.00 -1.78 0.00 0.00 34.13 29.27 1nl3 s GLU 615 CO 0.10 -0.87 0.35 0.00 -0.49 0.00 0.00 175.26 174.34 1nl3 s ALA 616 N 1.05 -0.87 0.39 5.21 0.00 -1.26 -5.04 121.76 121.25 1nl3 s ALA 616 Ca 0.07 1.31 0.18 0.00 0.00 0.00 0.00 51.96 53.52 1nl3 s ALA 616 Cb -0.19 -0.90 1.09 0.00 0.00 0.00 0.00 23.12 23.12 1nl3 s ALA 616 CO -0.09 -0.35 1.77 0.87 0.00 0.00 0.00 175.76 177.96 1nl3 h LYS 617 N 7.40 0.40 -0.18 0.00 1.79 -1.99 -0.41 116.57 123.58 1nl3 h LYS 617 Ca -0.33 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 1nl3 h LYS 617 Cb 1.16 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1nl3 h LYS 617 CO 0.28 0.26 -0.30 1.98 -1.08 0.00 0.00 179.45 180.59 1nl3 h MET 618 N 0.41 0.35 0.18 3.15 4.05 -1.98 -0.69 114.93 120.40 1nl3 h MET 618 Ca 0.59 -0.14 -0.32 0.00 -0.28 0.00 0.00 59.70 59.56 1nl3 h MET 618 Cb 1.48 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.27 1nl3 h MET 618 CO -0.30 0.62 -1.51 0.28 0.23 0.00 0.00 176.91 176.23 1nl3 h VAL 619 N 0.31 1.22 -0.59 -5.77 2.07 -1.53 -2.68 116.25 109.27 1nl3 h VAL 619 Ca 0.04 -2.75 0.04 0.00 0.82 0.00 0.00 66.70 64.85 1nl3 h VAL 619 Cb 0.69 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 1nl3 h VAL 619 CO 0.05 0.84 0.33 0.74 0.02 0.00 0.00 177.57 179.55 1nl3 h THR 620 N 0.11 1.00 -0.57 2.57 2.02 -1.29 -1.82 112.91 114.92 1nl3 h THR 620 Ca -0.25 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1nl3 h THR 620 Cb 2.08 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 1nl3 h THR 620 CO 0.21 0.11 0.26 -0.09 0.37 0.00 0.00 175.52 176.39 1nl3 h ARG 621 N 0.63 0.47 -0.12 6.66 2.43 -1.18 -1.97 114.38 121.31 1nl3 h ARG 621 Ca 0.25 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.22 1nl3 h ARG 621 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1nl3 h ARG 621 CO -0.15 0.31 -0.66 0.00 -1.51 0.00 0.00 179.97 177.96 1nl3 h ALA 622 N 1.35 0.64 0.20 2.80 0.00 -1.04 -1.72 119.26 121.48 1nl3 h ALA 622 Ca 0.27 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1nl3 h ALA 622 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1nl3 h ALA 622 CO -0.23 0.73 -0.10 0.82 0.00 0.00 0.00 179.25 180.47 1nl3 h ILE 623 N 0.33 0.89 -0.75 0.00 2.04 -1.29 -1.42 117.51 117.31 1nl3 h ILE 623 Ca -0.02 -0.55 0.17 0.00 1.00 0.00 0.00 64.86 65.46 1nl3 h ILE 623 Cb 1.22 1.21 -0.13 0.00 -0.74 0.00 0.00 36.82 38.38 1nl3 h ILE 623 CO 0.12 0.12 -0.02 0.50 0.00 0.00 0.00 178.15 178.87 1nl3 h LYS 624 N -0.54 0.08 0.06 2.37 1.63 -1.30 -2.65 116.57 116.21 1nl3 h LYS 624 Ca -0.03 -0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.52 1nl3 h LYS 624 Cb 0.41 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1nl3 h LYS 624 CO 0.04 0.05 -1.07 1.03 -3.45 0.00 0.00 179.45 176.05 1nl3 h SER 625 N 0.08 0.45 -0.12 4.20 0.87 -1.23 0.63 113.55 118.43 1nl3 h SER 625 Ca 0.41 -0.41 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1nl3 h SER 625 Cb 0.70 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 1nl3 h SER 625 CO -0.68 1.26 -0.31 0.00 -0.53 0.00 0.00 176.83 176.56 1nl3 h ALA 626 N 0.70 -0.37 -0.58 6.23 0.00 -1.09 -0.13 119.26 124.02 1nl3 h ALA 626 Ca -0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nl3 h ALA 626 Cb 1.75 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 20.11 1nl3 h ALA 626 CO 0.18 -0.79 0.31 0.37 0.00 0.00 0.00 179.25 179.31 1nl3 h GLN 627 N -0.39 0.82 -0.67 0.00 4.15 -1.20 -2.20 115.11 115.62 1nl3 h GLN 627 Ca 0.09 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1nl3 h GLN 627 Cb 0.54 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1nl3 h GLN 627 CO -0.34 0.64 0.44 1.15 -1.93 0.00 0.00 178.83 178.79 1nl3 h THR 628 N 0.79 1.16 -1.01 2.39 2.02 -0.63 -1.82 112.91 115.81 1nl3 h THR 628 Ca 0.20 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1nl3 h THR 628 Cb 0.07 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1nl3 h THR 628 CO -0.03 0.16 0.66 1.56 0.37 0.00 0.00 175.52 178.25 1nl3 h GLN 629 N 0.90 1.25 -0.19 6.66 4.20 -0.66 -0.28 115.11 126.99 1nl3 h GLN 629 Ca 0.25 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1nl3 h GLN 629 Cb -0.09 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.40 1nl3 h GLN 629 CO -0.06 0.83 0.08 0.28 -0.67 0.00 0.00 178.83 179.28 1nl3 h VAL 630 N 1.29 1.16 0.07 -0.54 2.07 -0.78 -0.16 116.25 119.35 1nl3 h VAL 630 Ca 0.40 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1nl3 h VAL 630 Cb -0.02 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1nl3 h VAL 630 CO -0.12 0.16 -0.43 -0.33 0.02 0.00 0.00 177.57 176.86 1nl3 h GLU 631 N 0.15 -0.61 -0.63 1.57 5.08 -1.02 -0.23 114.58 118.89 1nl3 h GLU 631 Ca 0.06 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1nl3 h GLU 631 Cb 0.18 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1nl3 h GLU 631 CO -0.01 -0.41 0.18 1.96 -1.00 0.00 0.00 179.01 179.74 1nl3 h GLN 632 N -0.63 0.32 -0.12 2.33 1.08 -0.95 0.14 115.11 117.27 1nl3 h GLN 632 Ca 0.03 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1nl3 h GLN 632 Cb 0.68 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1nl3 h GLN 632 CO -0.28 0.21 0.01 1.96 -0.95 0.00 0.00 178.83 179.78 1nl3 h GLN 633 N 0.33 0.05 -0.63 1.46 4.20 -0.71 -1.80 115.11 118.00 1nl3 h GLN 633 Ca 0.33 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.08 1nl3 h GLN 633 Cb 0.47 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1nl3 h GLN 633 CO -0.38 0.03 0.36 -0.91 -0.67 0.00 0.00 178.83 177.26 1nl3 h ASN 634 N 0.05 0.55 -0.92 1.46 2.35 -0.04 -1.88 115.58 117.15 1nl3 h ASN 634 Ca 0.06 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1nl3 h ASN 634 Cb 0.06 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 1nl3 h ASN 634 CO -0.09 0.36 0.60 0.15 -1.65 0.00 0.00 177.43 176.80 1nl3 h PHE 635 N 0.68 1.07 -0.21 1.19 3.57 -0.51 -1.50 116.94 121.23 1nl3 h PHE 635 Ca 0.27 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 1nl3 h PHE 635 Cb 0.13 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1nl3 h PHE 635 CO -0.07 0.56 -0.38 0.93 -2.23 0.00 0.00 178.31 177.11 1nl3 h GLU 636 N 1.05 0.63 -0.03 1.11 4.39 -0.66 -0.66 114.58 120.42 1nl3 h GLU 636 Ca 0.40 -0.40 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1nl3 h GLU 636 Cb 0.19 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1nl3 h GLU 636 CO -0.15 1.01 -0.06 0.28 -1.16 0.00 0.00 179.01 178.93 1nl3 h VAL 637 N 0.33 0.83 -0.61 3.13 2.07 -1.09 0.14 116.25 121.06 1nl3 h VAL 637 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.66 1nl3 h VAL 637 Cb 0.98 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 1nl3 h VAL 637 CO 0.09 0.00 0.05 -0.09 0.02 0.00 0.00 177.57 177.64 1nl3 h ARG 638 N -0.09 0.16 -0.54 1.57 2.43 -1.21 0.20 114.38 116.90 1nl3 h ARG 638 Ca 0.04 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1nl3 h ARG 638 Cb 0.14 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1nl3 h ARG 638 CO -0.09 0.11 0.27 -0.22 -1.51 0.00 0.00 179.97 178.53 1nl3 h LYS 639 N 0.16 0.75 -0.03 0.20 3.64 -0.48 -2.97 116.57 117.84 1nl3 h LYS 639 Ca 0.32 -0.09 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 1nl3 h LYS 639 Cb 0.51 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1nl3 h LYS 639 CO -0.48 0.58 -0.89 -0.91 -2.27 0.00 0.00 179.45 175.47 1nl3 h ASN 640 N 0.76 0.62 -0.75 4.20 2.35 0.12 -2.45 115.58 120.43 1nl3 h ASN 640 Ca 0.19 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1nl3 h ASN 640 Cb 0.06 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1nl3 h ASN 640 CO -0.03 1.26 0.41 0.58 -1.65 0.00 0.00 177.43 178.00 1nl3 h VAL 641 N 0.30 1.23 0.22 2.81 2.07 -0.58 -2.57 116.25 119.72 1nl3 h VAL 641 Ca -0.07 -0.57 -0.33 0.00 0.82 0.00 0.00 66.70 66.55 1nl3 h VAL 641 Cb 1.52 0.24 0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1nl3 h VAL 641 CO 0.16 0.25 -1.43 0.25 0.02 0.00 0.00 177.57 176.82 1nl3 h LEU 642 N 1.03 0.87 -0.78 2.57 5.85 -1.55 -2.21 115.31 121.09 1nl3 h LEU 642 Ca 0.26 -0.89 0.15 0.00 0.84 0.00 0.00 57.88 58.24 1nl3 h LEU 642 Cb 0.04 -0.28 -0.15 0.00 0.37 0.00 0.00 40.66 40.64 1nl3 h LEU 642 CO -0.04 1.69 -0.23 0.11 -0.34 0.00 0.00 178.44 179.63 1nl3 h LYS 643 N 0.18 -0.02 0.00 1.25 1.57 -1.40 -0.08 116.57 118.07 1nl3 h LYS 643 Ca -0.24 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1nl3 h LYS 643 Cb 2.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.41 1nl3 h LYS 643 CO 0.27 -0.01 -0.47 1.88 -0.57 0.00 0.00 179.45 180.54 1nl3 h TYR 644 N -0.02 0.00 0.00 -1.35 -1.99 -1.42 -3.14 116.97 109.05 1nl3 h TYR 644 Ca 0.36 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.98 1nl3 h TYR 644 Cb 0.58 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 1nl3 h TYR 644 CO -0.64 0.47 -0.53 0.22 -0.00 0.00 0.00 178.16 177.68 1nl3 h ASP 645 N 0.00 0.00 -0.57 3.88 3.58 -0.55 -3.23 116.42 119.53 1nl3 h ASP 645 Ca -0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 1nl3 h ASP 645 Cb 1.27 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.27 1nl3 h ASP 645 CO 0.06 0.53 0.30 -0.33 -2.88 0.00 0.00 179.24 176.92 1nl3 h GLU 646 N 0.00 0.56 -0.28 0.28 4.39 -1.02 0.30 114.58 118.80 1nl3 h GLU 646 Ca -0.01 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1nl3 h GLU 646 Cb 1.00 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 1nl3 h GLU 646 CO 0.07 0.37 -0.07 0.28 -1.16 0.00 0.00 179.01 178.50 1nl3 h VAL 647 N 0.58 0.71 0.00 3.13 2.07 -1.73 -1.77 116.25 119.24 1nl3 h VAL 647 Ca 0.26 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.62 1nl3 h VAL 647 Cb 0.16 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1nl3 h VAL 647 CO -0.17 0.00 -0.73 0.24 0.02 0.00 0.00 177.57 176.93 1nl3 h MET 648 N -0.01 0.00 -0.57 1.57 2.86 -1.53 -3.06 114.93 114.20 1nl3 h MET 648 Ca 0.14 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1nl3 h MET 648 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1nl3 h MET 648 CO -0.29 0.73 0.22 -0.97 1.06 0.00 0.00 176.91 177.66 1nl3 h ASN 649 N 0.00 0.79 -0.25 1.22 -0.00 0.22 -0.31 115.58 117.24 1nl3 h ASN 649 Ca -0.01 -0.17 0.03 0.00 -0.00 0.00 0.00 56.30 56.15 1nl3 h ASN 649 Cb 1.44 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 39.52 1nl3 h ASN 649 CO 0.10 0.75 0.04 1.56 -0.00 0.00 0.00 177.43 179.87 1nl3 h GLN 650 N 0.78 0.13 -0.38 6.67 1.08 -1.37 -2.64 115.11 119.37 1nl3 h GLN 650 Ca 0.19 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1nl3 h GLN 650 Cb 0.21 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1nl3 h GLN 650 CO -0.01 0.09 0.22 1.96 -0.95 0.00 0.00 178.83 180.13 1nl3 h GLN 651 N 0.13 0.43 0.00 1.46 4.20 -1.31 -2.87 115.11 117.16 1nl3 h GLN 651 Ca 0.11 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1nl3 h GLN 651 Cb 0.12 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1nl3 h GLN 651 CO -0.16 0.29 -0.30 0.07 -0.67 0.00 0.00 178.83 178.05 1nl3 h ARG 652 N 0.44 0.00 0.05 1.46 0.11 -0.98 -2.42 114.38 113.04 1nl3 h ARG 652 Ca 0.15 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.23 1nl3 h ARG 652 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1nl3 h ARG 652 CO -0.08 0.30 -0.02 0.87 0.10 0.00 0.00 179.97 181.14 1nl3 h LYS 653 N 0.00 -0.06 -0.21 0.08 1.79 -1.25 0.58 116.57 117.49 1nl3 h LYS 653 Ca -0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1nl3 h LYS 653 Cb 0.90 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.49 1nl3 h LYS 653 CO 0.04 0.04 -0.37 0.28 -1.08 0.00 0.00 179.45 178.36 1nl3 h VAL 654 N -0.15 0.21 -0.32 0.50 2.07 -1.38 -0.65 116.25 116.53 1nl3 h VAL 654 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1nl3 h VAL 654 Cb 0.13 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1nl3 h VAL 654 CO 0.01 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.13 1nl3 h ILE 655 N -0.40 1.18 -0.49 4.57 1.08 -1.12 -2.14 117.51 120.18 1nl3 h ILE 655 Ca 0.11 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1nl3 h ILE 655 Cb 0.58 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 1nl3 h ILE 655 CO -0.43 0.19 0.20 1.88 -0.69 0.00 0.00 178.15 179.30 1nl3 h TYR 656 N 0.36 0.35 -0.75 1.37 0.05 0.29 -1.40 116.97 117.24 1nl3 h TYR 656 Ca 0.11 0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.06 1nl3 h TYR 656 Cb 0.17 -0.09 -0.10 0.00 1.01 0.00 0.00 36.73 37.72 1nl3 h TYR 656 CO -0.01 0.14 0.26 0.00 -1.05 0.00 0.00 178.16 177.50 1nl3 h ALA 657 N 1.31 1.04 0.76 3.88 0.00 -0.69 -1.13 119.26 124.43 1nl3 h ALA 657 Ca 0.23 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1nl3 h ALA 657 Cb 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nl3 h ALA 657 CO -0.21 -0.27 -0.46 0.93 0.00 0.00 0.00 179.25 179.24 1nl3 h GLU 658 N 0.37 -1.10 -0.81 0.00 4.39 -0.65 -2.88 114.58 113.90 1nl3 h GLU 658 Ca 0.42 0.08 0.18 0.00 0.34 0.00 0.00 59.36 60.38 1nl3 h GLU 658 Cb 0.69 0.25 -0.11 0.00 -0.10 0.00 0.00 28.75 29.48 1nl3 h GLU 658 CO -0.45 -0.73 0.28 0.00 -1.16 0.00 0.00 179.01 176.95 1nl3 h ARG 659 N -1.14 0.34 0.09 2.33 3.08 -0.95 -2.59 114.38 115.54 1nl3 h ARG 659 Ca -0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1nl3 h ARG 659 Cb 0.91 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1nl3 h ARG 659 CO 0.11 0.23 -0.12 0.00 -1.07 0.00 0.00 179.97 179.12 1nl3 h ARG 660 N 0.35 -0.21 -0.30 0.04 3.08 -1.16 0.24 114.38 116.42 1nl3 h ARG 660 Ca 0.48 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.57 1nl3 h ARG 660 Cb 0.84 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1nl3 h ARG 660 CO -0.51 -0.14 -0.17 0.54 -1.07 0.00 0.00 179.97 178.62 1nl3 n ARG 661 N -3.05 -0.13 0.05 0.04 1.74 -1.09 0.36 116.66 114.58 1nl3 n ARG 661 Ca -0.03 0.49 -0.11 0.00 -0.77 0.00 0.00 57.85 57.44 1nl3 n ARG 661 Cb 0.10 -0.73 -0.06 0.00 -1.02 0.00 0.00 32.46 30.76 1nl3 n ARG 661 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1nl3 h ILE 662 N 0.00 0.80 0.00 0.55 2.04 -1.15 -2.34 117.51 117.41 1nl3 h ILE 662 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1nl3 h ILE 662 Cb 0.12 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1nl3 h ILE 662 CO -0.28 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 177.80 1nl3 h LEU 663 N -0.14 0.00 -3.52 1.44 3.38 0.34 -1.48 115.31 115.33 1nl3 h LEU 663 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1nl3 h LEU 663 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nl3 h LEU 663 CO -0.07 0.00 0.01 -0.62 0.09 0.00 0.00 178.44 177.85 1nl3 n GLU 664 N -2.37 4.48 -1.20 1.13 1.02 0.36 -4.02 120.64 120.04 1nl3 n GLU 664 Ca -0.00 -3.11 -0.07 0.00 -0.02 0.00 0.00 57.16 53.95 1nl3 n GLU 664 Cb 0.11 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.31 1nl3 n GLU 664 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nl3 n GLY 665 N 0.36 0.69 3.58 0.62 0.00 -0.56 -4.95 105.19 104.94 1nl3 n GLY 665 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1nl3 n GLY 665 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nl3 n GLU 666 N -0.19 0.88 -2.77 1.61 2.13 -1.18 -4.94 120.64 116.19 1nl3 n GLU 666 Ca -0.07 0.34 -0.43 0.00 0.66 0.00 0.00 57.16 57.66 1nl3 n GLU 666 Cb 0.56 -2.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 1nl3 n GLU 666 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1nl3 s ASN 667 N -1.16 6.75 -0.01 4.31 3.84 -1.26 -4.90 114.94 122.51 1nl3 s ASN 667 Ca 0.72 0.73 0.20 0.00 0.21 0.00 0.00 52.86 54.73 1nl3 s ASN 667 Cb -0.44 -2.48 0.60 0.00 -0.55 0.00 0.00 41.25 38.38 1nl3 s ASN 667 CO 0.50 -0.85 1.51 0.18 -2.79 0.00 0.00 177.10 175.65 1nl3 n LEU 668 N 6.76 3.89 -0.30 3.21 4.77 -1.26 -4.64 117.00 129.43 1nl3 n LEU 668 Ca 0.08 -2.06 0.09 0.00 -0.03 0.00 0.00 56.01 54.10 1nl3 n LEU 668 Cb 0.48 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 41.31 1nl3 n LEU 668 CO 0.58 0.93 0.80 0.50 -1.33 0.00 0.00 177.39 178.87 1nl3 h LYS 669 N 3.90 0.06 -0.24 3.23 1.63 -1.94 0.42 116.57 123.63 1nl3 h LYS 669 Ca 0.00 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1nl3 h LYS 669 Cb 1.00 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1nl3 h LYS 669 CO 0.03 0.04 -0.28 -0.44 -3.45 0.00 0.00 179.45 175.35 1nl3 h ASP 670 N 0.06 0.67 -0.03 4.20 3.32 -2.00 -1.71 116.42 120.93 1nl3 h ASP 670 Ca 0.49 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nl3 h ASP 670 Cb 0.92 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1nl3 h ASP 670 CO -0.80 1.02 -0.00 1.56 -1.72 0.00 0.00 179.24 179.30 1nl3 h GLN 671 N 0.33 0.01 -0.38 3.56 1.08 -1.55 0.28 115.11 118.44 1nl3 h GLN 671 Ca 0.03 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1nl3 h GLN 671 Cb 0.85 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.19 1nl3 h GLN 671 CO 0.07 0.01 -0.45 0.00 -0.95 0.00 0.00 178.83 177.50 1nl3 h ALA 672 N 1.02 -0.52 -0.27 3.87 0.00 -0.17 -1.64 119.26 121.55 1nl3 h ALA 672 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1nl3 h ALA 672 Cb 0.01 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1nl3 h ALA 672 CO -0.02 -0.91 -0.08 -0.07 0.00 0.00 0.00 179.25 178.16 1nl3 h LEU 673 N -0.36 0.41 -0.59 0.00 3.38 -0.96 -1.98 115.31 115.22 1nl3 h LEU 673 Ca 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nl3 h LEU 673 Cb 0.59 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1nl3 h LEU 673 CO -0.56 0.54 0.25 -0.78 0.09 0.00 0.00 178.44 177.99 1nl3 h ASP 674 N 0.41 0.80 -0.25 -0.43 3.58 -0.44 0.11 116.42 120.19 1nl3 h ASP 674 Ca 0.08 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.42 1nl3 h ASP 674 Cb 0.41 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1nl3 h ASP 674 CO 0.02 0.73 0.02 0.24 -2.88 0.00 0.00 179.24 177.37 1nl3 h MET 675 N 0.81 0.10 -0.48 0.28 2.86 -0.98 1.30 114.93 118.82 1nl3 h MET 675 Ca 0.20 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.92 1nl3 h MET 675 Cb 0.17 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 1nl3 h MET 675 CO -0.02 0.06 0.05 0.28 1.06 0.00 0.00 176.91 178.34 1nl3 h VAL 676 N 0.10 0.68 -0.08 -2.22 2.07 -1.06 0.30 116.25 116.04 1nl3 h VAL 676 Ca 0.12 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1nl3 h VAL 676 Cb 0.14 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nl3 h VAL 676 CO -0.19 0.03 0.02 -0.09 0.02 0.00 0.00 177.57 177.37 1nl3 h ARG 677 N 0.17 0.13 -0.21 1.57 2.43 -0.44 -2.34 114.38 115.69 1nl3 h ARG 677 Ca 0.24 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1nl3 h ARG 677 Cb 0.34 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1nl3 h ARG 677 CO -0.35 0.31 -0.21 0.22 -1.51 0.00 0.00 179.97 178.42 1nl3 h ASP 678 N -0.08 -0.67 -0.27 -3.80 3.58 0.24 -0.59 116.42 114.82 1nl3 h ASP 678 Ca 0.02 0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 1nl3 h ASP 678 Cb 0.24 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1nl3 h ASP 678 CO -0.00 -0.25 -0.08 0.58 -2.88 0.00 0.00 179.24 176.61 1nl3 h VAL 679 N -0.23 1.29 -0.58 2.25 2.07 -0.48 -2.54 116.25 118.02 1nl3 h VAL 679 Ca 0.13 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1nl3 h VAL 679 Cb 0.42 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1nl3 h VAL 679 CO -0.35 0.35 0.19 0.40 0.02 0.00 0.00 177.57 178.18 1nl3 h ILE 680 N 0.28 1.22 -0.63 4.57 2.04 -1.31 -2.47 117.51 121.22 1nl3 h ILE 680 Ca 0.07 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1nl3 h ILE 680 Cb 0.56 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1nl3 h ILE 680 CO 0.03 0.29 0.18 0.74 0.00 0.00 0.00 178.15 179.39 1nl3 h THR 681 N 0.85 1.25 -0.12 -0.27 2.02 -0.96 -2.37 112.91 113.31 1nl3 h THR 681 Ca 0.19 -0.88 -0.16 0.00 0.77 0.00 0.00 66.41 66.33 1nl3 h THR 681 Cb 0.24 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1nl3 h THR 681 CO -0.01 0.33 -0.61 0.00 0.37 0.00 0.00 175.52 175.60 1nl3 h ALA 682 N 1.06 0.71 -0.17 6.16 0.00 -1.23 0.15 119.26 125.94 1nl3 h ALA 682 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1nl3 h ALA 682 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nl3 h ALA 682 CO -0.00 0.72 0.07 1.88 0.00 0.00 0.00 179.25 181.91 1nl3 h TYR 683 N 0.32 0.27 0.26 0.00 0.05 -1.33 -0.20 116.97 116.34 1nl3 h TYR 683 Ca -0.01 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1nl3 h TYR 683 Cb 1.15 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 1nl3 h TYR 683 CO 0.04 0.33 -0.27 0.28 -1.05 0.00 0.00 178.16 177.49 1nl3 h VAL 684 N 0.12 0.43 -0.89 -2.88 2.07 -1.27 -1.54 116.25 112.30 1nl3 h VAL 684 Ca 0.06 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.79 1nl3 h VAL 684 Cb 0.18 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 30.25 1nl3 h VAL 684 CO -0.00 0.00 0.38 -0.78 0.02 0.00 0.00 177.57 177.19 1nl3 h ASP 685 N -0.57 0.32 1.45 0.57 3.58 -0.55 0.47 116.42 121.69 1nl3 h ASP 685 Ca -0.01 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1nl3 h ASP 685 Cb 0.53 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1nl3 h ASP 685 CO -0.06 0.00 -0.18 1.23 -2.88 0.00 0.00 179.24 177.35 1nl3 h GLY 686 N 0.40 0.00 0.10 -0.78 0.00 -0.54 -3.07 103.07 99.18 1nl3 h GLY 686 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1nl3 h GLY 686 CO -0.52 0.00 -1.84 0.00 0.00 0.00 0.00 176.54 174.18 1nl3 n ALA 687 N -2.16 2.90 -3.24 3.60 0.00 -0.39 -4.70 120.51 116.53 1nl3 n ALA 687 Ca 0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.72 1nl3 n ALA 687 Cb 0.52 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 1nl3 n ALA 687 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nl3 n THR 688 N -2.25 -0.10 0.00 0.00 -1.04 0.15 -4.29 114.28 106.75 1nl3 n THR 688 Ca -0.03 -4.24 0.00 0.00 -2.04 0.00 0.00 64.05 57.74 1nl3 n THR 688 Cb 0.55 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 1nl3 n THR 688 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nl3 n GLY 689 N 1.33 -0.22 0.00 3.41 0.00 -1.17 -4.56 105.19 103.98 1nl3 n GLY 689 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1nl3 n GLY 689 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nl3 n GLU 690 N -0.11 2.25 0.00 1.61 1.02 -1.26 -4.57 120.64 119.58 1nl3 n GLU 690 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nl3 n GLU 690 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1nl3 n GLU 690 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nl3 n GLY 691 N 3.88 0.99 5.00 0.62 0.00 -1.26 -4.80 105.19 109.62 1nl3 n GLY 691 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nl3 n GLY 691 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nl3 n TYR 692 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.56 117.16 116.96 1nl3 n TYR 692 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nl3 n TYR 692 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1nl3 n TYR 692 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nl3 n ALA 693 N 0.00 0.00 0.02 -0.72 0.00 -1.26 -4.76 120.51 113.79 1nl3 n ALA 693 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nl3 n ALA 693 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nl3 n ALA 693 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nl3 n GLU 694 N 0.00 0.48 -0.03 0.00 1.02 -1.26 -3.38 120.64 117.47 1nl3 n GLU 694 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1nl3 n GLU 694 Cb 0.00 -1.26 0.51 0.00 -0.02 0.00 0.00 31.44 30.67 1nl3 n GLU 694 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1nl3 n ASP 695 N 1.40 1.37 -4.89 1.62 2.03 -1.26 -4.89 116.55 111.93 1nl3 n ASP 695 Ca 0.00 -1.52 -0.29 0.00 0.52 0.00 0.00 54.79 53.50 1nl3 n ASP 695 Cb 0.24 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.59 1nl3 n ASP 695 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1nl3 s TRP 696 N -1.93 3.51 -0.73 -0.67 0.51 -1.22 -4.93 118.94 113.48 1nl3 s TRP 696 Ca 0.37 0.90 -0.15 0.00 -2.12 0.00 0.00 56.10 55.10 1nl3 s TRP 696 Cb 0.20 -2.34 0.18 0.00 -0.81 0.00 0.00 33.47 30.70 1nl3 s TRP 696 CO 0.31 -0.15 0.69 0.34 -0.51 0.00 0.00 176.95 177.63 1nl3 s ASP 697 N -3.57 6.56 0.41 2.95 -1.08 -1.26 -4.85 116.67 115.83 1nl3 s ASP 697 Ca 0.49 -2.35 0.23 0.00 -0.52 0.00 0.00 52.55 50.40 1nl3 s ASP 697 Cb -0.10 -2.22 0.33 0.00 -1.46 0.00 0.00 42.92 39.46 1nl3 s ASP 697 CO 0.37 -0.70 1.57 -0.07 0.52 0.00 0.00 175.17 176.86 1nl3 h LEU 698 N 8.29 0.00 0.30 -1.34 4.07 -1.96 -2.79 115.31 121.87 1nl3 h LEU 698 Ca -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1nl3 h LEU 698 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1nl3 h LEU 698 CO 0.87 0.00 -0.14 0.44 -1.08 0.00 0.00 178.44 178.52 1nl3 h ASP 699 N 0.00 -0.34 -0.23 -0.43 5.19 -2.00 -2.56 116.42 116.05 1nl3 h ASP 699 Ca 0.00 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1nl3 h ASP 699 Cb 0.99 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1nl3 h ASP 699 CO 0.00 -0.08 0.07 0.00 -3.12 0.00 0.00 179.24 176.11 1nl3 h ALA 700 N 0.03 0.30 -0.88 3.45 0.00 -1.97 -1.53 119.26 118.66 1nl3 h ALA 700 Ca -0.04 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nl3 h ALA 700 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1nl3 h ALA 700 CO 0.07 -0.08 0.58 1.25 0.00 0.00 0.00 179.25 181.07 1nl3 h LEU 701 N 0.20 1.00 0.05 0.00 5.85 -1.60 -1.05 115.31 119.76 1nl3 h LEU 701 Ca 0.07 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1nl3 h LEU 701 Cb 0.24 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1nl3 h LEU 701 CO -0.00 0.72 -0.02 -0.50 -0.34 0.00 0.00 178.44 178.30 1nl3 h TRP 702 N 1.18 -0.06 -0.97 1.25 6.55 -1.35 -1.01 115.95 121.54 1nl3 h TRP 702 Ca 0.32 -0.00 0.16 0.00 0.95 0.00 0.00 58.89 60.33 1nl3 h TRP 702 Cb -0.12 0.02 -0.09 0.00 -0.86 0.00 0.00 29.16 28.11 1nl3 h TRP 702 CO -0.00 0.42 0.61 0.00 -1.05 0.00 0.00 178.44 178.42 1nl3 h THR 703 N -0.56 0.78 0.21 1.49 1.03 -1.09 0.14 112.91 114.91 1nl3 h THR 703 Ca -0.01 -0.27 -0.32 0.00 -0.01 0.00 0.00 66.41 65.81 1nl3 h THR 703 Cb 0.50 -0.06 0.02 0.00 -1.07 0.00 0.00 68.15 67.55 1nl3 h THR 703 CO 0.01 0.14 -1.43 0.00 -0.01 0.00 0.00 175.52 174.23 1nl3 h ALA 704 N 1.60 -0.05 0.00 0.00 0.00 -1.19 -3.06 119.26 116.56 1nl3 h ALA 704 Ca 0.52 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1nl3 h ALA 704 Cb 0.79 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nl3 h ALA 704 CO -0.29 0.82 -0.13 -0.07 0.00 0.00 0.00 179.25 179.57 1nl3 h LEU 705 N 0.12 0.00 -1.10 0.00 3.38 -0.75 -2.79 115.31 114.17 1nl3 h LEU 705 Ca -0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1nl3 h LEU 705 Cb 2.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 1nl3 h LEU 705 CO 0.24 0.13 -0.36 0.11 0.09 0.00 0.00 178.44 178.66 1nl3 h LYS 706 N 0.00 0.00 -0.81 1.13 1.57 -0.88 -2.23 116.57 115.35 1nl3 h LYS 706 Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1nl3 h LYS 706 Cb 0.25 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 1nl3 h LYS 706 CO 0.02 0.36 0.44 1.79 -0.57 0.00 0.00 179.45 181.49 1nl3 h THR 707 N 0.00 0.86 0.04 -0.16 1.35 -1.46 -3.28 112.91 110.26 1nl3 h THR 707 Ca -0.00 -0.25 -0.10 0.00 -0.55 0.00 0.00 66.41 65.51 1nl3 h THR 707 Cb 0.80 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1nl3 h THR 707 CO 0.05 0.13 -0.50 -0.07 -0.25 0.00 0.00 175.52 174.88 1nl3 h LEU 708 N 0.72 0.15 -8.04 3.87 3.38 -1.58 -3.44 115.31 110.37 1nl3 h LEU 708 Ca 0.40 -0.91 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 1nl3 h LEU 708 Cb 0.42 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.98 1nl3 h LEU 708 CO -0.27 1.22 -0.55 -0.72 0.09 0.00 0.00 178.44 178.21 1nl3 s TYR 709 N -2.31 0.35 -1.12 1.13 1.13 -0.88 -4.48 117.35 111.16 1nl3 s TYR 709 Ca -0.19 -0.84 -0.24 0.00 -1.41 0.00 0.00 57.07 54.39 1nl3 s TYR 709 Cb -0.00 -0.24 -0.13 0.00 -1.10 0.00 0.00 41.96 40.49 1nl3 s TYR 709 CO 0.72 -0.45 2.01 -1.25 -2.51 0.00 0.00 175.55 174.07 1nl3 s PRO 710 N -3.81 2.07 -0.14 -3.49 0.04 -1.26 -4.23 135.00 124.18 1nl3 s PRO 710 Ca 0.05 -0.83 -0.32 0.00 0.04 0.00 0.00 61.00 59.95 1nl3 s PRO 710 Cb 0.06 -5.14 -0.09 0.00 0.04 0.00 0.00 34.50 29.37 1nl3 s PRO 710 CO -0.10 -4.43 2.04 0.28 0.04 0.00 0.00 177.00 174.83 1nl3 n VAL 711 N 8.22 0.50 -0.11 -0.36 0.31 -1.26 -4.86 118.33 120.77 1nl3 n VAL 711 Ca 0.43 -0.23 0.10 0.00 -0.01 0.00 0.00 64.34 64.64 1nl3 n VAL 711 Cb 0.47 -2.12 0.29 0.00 -0.91 0.00 0.00 33.84 31.56 1nl3 n VAL 711 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nl3 n GLY 712 N 5.13 2.10 0.00 2.92 0.00 -1.26 -4.53 105.19 109.54 1nl3 n GLY 712 Ca 0.27 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1nl3 n GLY 712 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nl3 n ILE 713 N 1.38 0.00 -1.24 -0.61 -5.35 -1.26 -5.14 119.36 107.14 1nl3 n ILE 713 Ca 0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 1nl3 n ILE 713 Cb 0.57 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1nl3 n ILE 713 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1nl3 n THR 714 N -1.49 0.00 0.00 7.28 -1.04 -1.26 -4.55 114.28 113.21 1nl3 n THR 714 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nl3 n THR 714 Cb 0.24 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1nl3 n THR 714 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nl3 n ALA 715 N 1.02 0.00 0.00 2.41 0.00 -1.26 -3.22 120.51 119.45 1nl3 n ALA 715 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nl3 n ALA 715 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nl3 n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nl3 n ASP 716 N 0.00 0.00 0.00 0.00 9.92 -1.26 0.71 116.55 125.92 1nl3 n ASP 716 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1nl3 n ASP 716 Cb 0.00 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 40.63 1nl3 n ASP 716 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1nl3 n SER 717 N -1.96 0.00 -0.04 -2.24 3.41 -1.20 -3.15 113.62 108.44 1nl3 n SER 717 Ca 0.00 -0.23 -0.04 0.00 -0.26 0.00 0.00 58.87 58.34 1nl3 n SER 717 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1nl3 n SER 717 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nl3 n LEU 718 N -0.91 0.09 -4.72 1.04 4.77 0.22 -5.15 117.00 112.35 1nl3 n LEU 718 Ca 0.04 -0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 1nl3 n LEU 718 Cb 0.02 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1nl3 n LEU 718 CO 0.03 0.23 -0.29 0.42 -1.33 0.00 0.00 177.39 176.45 1nl3 s THR 719 N -2.21 4.46 -4.67 -5.08 -4.23 -1.19 -5.09 115.64 97.63 1nl3 s THR 719 Ca -0.05 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1nl3 s THR 719 Cb 0.03 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1nl3 s THR 719 CO 0.36 0.54 0.00 -2.11 -0.54 0.00 0.00 174.62 172.87 1nl3 n ARG 732 N 1.89 0.00 0.00 3.99 1.85 -1.26 -5.13 116.66 118.00 1nl3 n ARG 732 Ca -0.17 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.77 1nl3 n ARG 732 Cb 0.53 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.86 1nl3 n ARG 732 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1nl3 n GLU 733 N 0.00 0.61 -0.61 2.89 -0.58 -1.26 -4.97 120.64 116.72 1nl3 n GLU 733 Ca 0.00 -0.29 -0.27 0.00 -0.42 0.00 0.00 57.16 56.18 1nl3 n GLU 733 Cb 0.00 -1.45 0.24 0.00 -0.57 0.00 0.00 31.44 29.66 1nl3 n GLU 733 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1nl3 n GLU 734 N -1.04 -3.63 0.00 3.49 -0.00 -1.26 -4.14 120.64 114.06 1nl3 n GLU 734 Ca 0.05 -1.44 0.00 0.00 -0.00 0.00 0.00 57.16 55.77 1nl3 n GLU 734 Cb 0.36 -1.55 0.00 0.00 -0.00 0.00 0.00 31.44 30.24 1nl3 n GLU 734 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1nl3 n LEU 735 N 0.00 0.00 -0.04 -1.84 7.94 -1.26 -4.69 117.00 117.10 1nl3 n LEU 735 Ca 0.13 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.91 1nl3 n LEU 735 Cb 0.53 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.42 1nl3 n LEU 735 CO 0.36 0.00 0.77 0.25 -1.11 0.00 0.00 177.39 177.65 1nl3 h LEU 736 N 0.00 0.24 -0.55 -1.96 5.85 -1.99 0.33 115.31 117.23 1nl3 h LEU 736 Ca 0.00 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1nl3 h LEU 736 Cb 0.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1nl3 h LEU 736 CO 0.00 0.46 0.18 -0.08 -0.34 0.00 0.00 178.44 178.66 1nl3 h GLU 737 N 0.01 0.84 0.57 1.25 4.22 -1.84 -1.86 114.58 117.78 1nl3 h GLU 737 Ca 0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.28 1nl3 h GLU 737 Cb 0.32 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nl3 h GLU 737 CO 0.00 0.76 -0.27 0.00 -2.18 0.00 0.00 179.01 177.32 1nl3 h ALA 738 N 1.04 -0.77 -0.31 2.92 0.00 -1.89 -2.51 119.26 117.74 1nl3 h ALA 738 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1nl3 h ALA 738 Cb 0.26 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1nl3 h ALA 738 CO -0.01 -0.93 -0.18 -0.07 0.00 0.00 0.00 179.25 178.06 1nl3 h LEU 739 N -0.77 0.56 0.32 0.00 3.38 -0.91 -2.38 115.31 115.52 1nl3 h LEU 739 Ca -0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1nl3 h LEU 739 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nl3 h LEU 739 CO 0.13 0.76 -0.15 -0.07 0.09 0.00 0.00 178.44 179.19 1nl3 h LEU 740 N 0.51 -0.36 -0.99 1.67 4.07 -1.34 -0.58 115.31 118.28 1nl3 h LEU 740 Ca 0.08 -0.01 0.19 0.00 0.08 0.00 0.00 57.88 58.22 1nl3 h LEU 740 Cb 0.61 0.09 -0.11 0.00 1.08 0.00 0.00 40.66 42.33 1nl3 h LEU 740 CO 0.04 -0.23 0.59 0.50 -1.08 0.00 0.00 178.44 178.27 1nl3 h LYS 741 N -0.46 0.73 -0.08 1.13 3.64 -1.28 0.29 116.57 120.54 1nl3 h LYS 741 Ca -0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1nl3 h LYS 741 Cb 0.35 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1nl3 h LYS 741 CO 0.07 0.48 -0.01 0.22 -2.27 0.00 0.00 179.45 177.94 1nl3 h ASP 742 N 0.75 0.15 -0.55 4.20 3.58 -1.13 -2.15 116.42 121.28 1nl3 h ASP 742 Ca 0.57 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1nl3 h ASP 742 Cb 0.89 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 1nl3 h ASP 742 CO -0.39 0.45 0.31 0.00 -2.88 0.00 0.00 179.24 176.74 1nl3 h ALA 743 N 0.71 0.70 -0.46 -0.78 0.00 -0.22 0.02 119.26 119.23 1nl3 h ALA 743 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1nl3 h ALA 743 Cb 0.38 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 1nl3 h ALA 743 CO 0.01 0.21 -0.19 1.49 0.00 0.00 0.00 179.25 180.76 1nl3 h GLU 744 N 0.73 -0.09 -0.82 0.00 4.81 -0.37 0.44 114.58 119.27 1nl3 h GLU 744 Ca 0.19 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1nl3 h GLU 744 Cb 0.03 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1nl3 h GLU 744 CO -0.03 -0.06 0.37 -0.09 -0.73 0.00 0.00 179.01 178.46 1nl3 h ARG 745 N -0.09 1.21 -0.66 1.92 2.43 -0.75 -2.21 114.38 116.23 1nl3 h ARG 745 Ca 0.22 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1nl3 h ARG 745 Cb 0.43 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1nl3 h ARG 745 CO -0.52 0.95 0.23 0.00 -1.51 0.00 0.00 179.97 179.11 1nl3 h ALA 746 N 1.21 1.16 0.28 2.80 0.00 0.20 0.06 119.26 124.97 1nl3 h ALA 746 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nl3 h ALA 746 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nl3 h ALA 746 CO -0.03 0.59 -0.15 -0.92 0.00 0.00 0.00 179.25 178.74 1nl3 h TYR 747 N 0.96 -0.38 -0.35 0.00 5.03 0.30 0.20 116.97 122.73 1nl3 h TYR 747 Ca 0.22 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.60 1nl3 h TYR 747 Cb 0.24 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 1nl3 h TYR 747 CO 0.02 -0.23 0.24 0.00 -1.32 0.00 0.00 178.16 176.87 1nl3 h ALA 748 N 0.32 2.18 0.50 1.82 0.00 -1.14 0.34 119.26 123.29 1nl3 h ALA 748 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nl3 h ALA 748 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nl3 h ALA 748 CO 0.05 -0.27 -0.24 0.00 0.00 0.00 0.00 179.25 178.79 1nl3 h ALA 749 N 1.82 -0.68 -0.11 0.00 0.00 -0.33 -2.31 119.26 117.66 1nl3 h ALA 749 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nl3 h ALA 749 Cb 0.50 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1nl3 h ALA 749 CO -0.02 -0.73 -0.46 -0.09 0.00 0.00 0.00 179.25 177.95 1nl3 h ARG 750 N -0.98 -0.48 -0.95 0.00 1.12 0.13 -1.10 114.38 112.12 1nl3 h ARG 750 Ca -0.07 0.03 0.24 0.00 -1.11 0.00 0.00 59.98 59.07 1nl3 h ARG 750 Cb 0.61 0.11 -0.18 0.00 -0.01 0.00 0.00 29.97 30.50 1nl3 h ARG 750 CO 0.11 -0.32 -0.06 -1.91 -3.11 0.00 0.00 179.97 174.69 1nl3 n GLU 751 N -4.98 -0.08 -0.15 0.20 2.13 0.11 0.02 120.64 117.88 1nl3 n GLU 751 Ca -0.05 1.45 -0.11 0.00 0.66 0.00 0.00 57.16 59.11 1nl3 n GLU 751 Cb 0.32 -2.25 -0.01 0.00 0.27 0.00 0.00 31.44 29.77 1nl3 n GLU 751 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nl3 h ALA 752 N 1.91 0.62 -0.62 4.31 0.00 -0.73 -1.63 119.26 123.12 1nl3 h ALA 752 Ca 0.54 -0.33 0.18 0.00 0.00 0.00 0.00 54.91 55.30 1nl3 h ALA 752 Cb 1.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nl3 h ALA 752 CO -0.92 0.52 0.46 1.49 0.00 0.00 0.00 179.25 180.79 1nl3 h GLU 753 N 0.71 0.00 0.00 0.00 4.81 0.80 0.31 114.58 121.22 1nl3 h GLU 753 Ca 0.12 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1nl3 h GLU 753 Cb 0.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1nl3 h GLU 753 CO 0.04 0.00 -0.31 -0.07 -0.73 0.00 0.00 179.01 177.95 1nl3 h LEU 754 N 0.00 0.00 -1.55 1.64 -0.00 -0.46 -2.11 115.31 112.82 1nl3 h LEU 754 Ca 0.29 -0.87 0.22 0.00 -0.00 0.00 0.00 57.88 57.53 1nl3 h LEU 754 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.80 1nl3 h LEU 754 CO -0.00 1.11 0.62 -0.33 -0.00 0.00 0.00 178.44 179.84 1nl3 h GLU 755 N -1.00 0.34 -0.12 1.13 4.39 -1.08 0.62 114.58 118.85 1nl3 h GLU 755 Ca -0.08 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1nl3 h GLU 755 Cb 1.06 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1nl3 h GLU 755 CO -0.05 0.22 -0.26 1.49 -1.16 0.00 0.00 179.01 179.25 1nl3 h GLU 756 N 0.35 0.22 0.00 2.33 4.57 -0.27 -0.91 114.58 120.87 1nl3 h GLU 756 Ca 0.49 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 58.39 1nl3 h GLU 756 Cb 1.31 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 1nl3 h GLU 756 CO -0.17 0.48 -1.27 -0.89 -1.18 0.00 0.00 179.01 175.98 1nl3 n ILE 757 N -4.16 1.50 -0.01 2.32 5.41 0.46 -4.79 119.36 120.09 1nl3 n ILE 757 Ca -0.01 -0.01 0.02 0.00 1.00 0.00 0.00 62.75 63.74 1nl3 n ILE 757 Cb 0.37 -2.12 -0.06 0.00 -0.71 0.00 0.00 39.64 37.12 1nl3 n ILE 757 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nl3 n ALA 758 N -3.65 2.16 0.00 -1.39 0.00 0.19 -5.10 120.51 112.73 1nl3 n ALA 758 Ca -0.29 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1nl3 n ALA 758 Cb 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1nl3 n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nl3 n GLY 759 N 2.17 -0.60 3.51 0.00 0.00 -0.35 -4.85 105.19 105.07 1nl3 n GLY 759 Ca -0.05 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 1nl3 n GLY 759 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nl3 n GLU 760 N -0.65 -0.67 -0.63 1.61 4.07 -1.26 -0.33 120.64 122.77 1nl3 n GLU 760 Ca 0.00 -0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1nl3 n GLU 760 Cb 0.00 -0.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.78 1nl3 n GLU 760 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nl3 n GLY 761 N -1.21 0.68 0.31 8.31 0.00 -1.26 -4.97 105.19 107.05 1nl3 n GLY 761 Ca -0.08 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.08 1nl3 n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nl3 h ALA 762 N 0.00 1.29 0.00 4.61 0.00 -1.01 -0.14 119.26 124.02 1nl3 h ALA 762 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nl3 h ALA 762 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nl3 h ALA 762 CO 0.00 0.02 -0.21 1.98 0.00 0.00 0.00 179.25 181.04 1nl3 h MET 763 N 0.00 0.00 -0.16 0.00 -1.53 -1.84 -2.58 114.93 108.82 1nl3 h MET 763 Ca -0.00 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.27 1nl3 h MET 763 Cb 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.11 1nl3 h MET 763 CO 0.00 0.21 0.07 0.00 0.14 0.00 0.00 176.91 177.33 1nl3 h ARG 764 N 0.00 0.15 0.00 0.39 2.47 -1.42 -1.58 114.38 114.39 1nl3 h ARG 764 Ca -0.00 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1nl3 h ARG 764 Cb 0.55 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1nl3 h ARG 764 CO 0.03 0.10 -0.01 0.37 0.56 0.00 0.00 179.97 181.02 1nl3 h GLN 765 N 0.16 0.00 0.03 0.04 5.75 -1.55 -2.42 115.11 117.12 1nl3 h GLN 765 Ca 0.06 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.31 1nl3 h GLN 765 Cb 0.02 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.58 1nl3 h GLN 765 CO -0.05 0.01 -1.05 1.25 -2.65 0.00 0.00 178.83 176.34 1nl3 h LEU 766 N 0.00 0.65 -1.19 -2.39 5.85 -1.01 -1.55 115.31 115.67 1nl3 h LEU 766 Ca -0.00 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 1nl3 h LEU 766 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1nl3 h LEU 766 CO 0.00 1.36 -0.40 -0.33 -0.34 0.00 0.00 178.44 178.73 1nl3 h GLU 767 N 0.25 0.01 0.05 1.25 5.08 -0.90 -1.15 114.58 119.17 1nl3 h GLU 767 Ca -0.11 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1nl3 h GLU 767 Cb 1.70 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1nl3 h GLU 767 CO 0.19 0.41 -0.02 0.00 -1.00 0.00 0.00 179.01 178.58 1nl3 h ARG 768 N 0.01 -0.06 -0.39 2.33 3.08 -1.49 -2.24 114.38 115.61 1nl3 h ARG 768 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1nl3 h ARG 768 Cb 0.71 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.70 1nl3 h ARG 768 CO 0.05 0.48 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.42 1nl3 h ASN 769 N -0.96 -0.38 -0.12 7.04 4.21 -1.27 -1.47 115.58 122.63 1nl3 h ASN 769 Ca -0.01 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 1nl3 h ASN 769 Cb 0.56 0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 38.01 1nl3 h ASN 769 CO 0.01 -0.14 -0.05 0.58 -1.29 0.00 0.00 177.43 176.54 1nl3 h VAL 770 N -0.01 1.31 -0.17 2.81 2.07 -1.32 -1.22 116.25 119.73 1nl3 h VAL 770 Ca 0.19 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1nl3 h VAL 770 Cb 0.30 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1nl3 h VAL 770 CO -0.41 0.31 0.06 -0.07 0.02 0.00 0.00 177.57 177.48 1nl3 h LEU 771 N -0.09 0.07 0.23 2.57 3.38 -1.32 -1.49 115.31 118.65 1nl3 h LEU 771 Ca 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nl3 h LEU 771 Cb 0.51 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nl3 h LEU 771 CO 0.02 0.07 -0.11 0.25 0.09 0.00 0.00 178.44 178.75 1nl3 h LEU 772 N 0.14 -0.26 -0.90 1.67 5.85 -1.23 -1.17 115.31 119.42 1nl3 h LEU 772 Ca 0.07 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.98 1nl3 h LEU 772 Cb 0.04 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.02 1nl3 h LEU 772 CO -0.07 -0.16 0.44 0.78 -0.34 0.00 0.00 178.44 179.09 1nl3 h ASN 773 N -0.33 0.46 0.06 1.25 4.21 -1.16 -1.53 115.58 118.54 1nl3 h ASN 773 Ca -0.03 0.13 -0.21 0.00 1.21 0.00 0.00 56.30 57.39 1nl3 h ASN 773 Cb 0.25 0.07 0.02 0.00 -1.12 0.00 0.00 38.32 37.55 1nl3 h ASN 773 CO 0.05 0.09 -0.88 0.58 -1.29 0.00 0.00 177.43 175.99 1nl3 h VAL 774 N 0.51 1.38 0.52 2.81 2.07 -1.06 -2.93 116.25 119.56 1nl3 h VAL 774 Ca 0.54 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1nl3 h VAL 774 Cb 0.95 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1nl3 h VAL 774 CO -0.46 0.68 -0.40 0.40 0.02 0.00 0.00 177.57 177.80 1nl3 h ILE 775 N 0.02 0.19 -0.95 4.57 2.04 -0.95 -1.09 117.51 121.34 1nl3 h ILE 775 Ca -0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1nl3 h ILE 775 Cb 1.59 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1nl3 h ILE 775 CO 0.17 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.37 1nl3 h ASP 776 N -0.90 0.95 -0.05 1.72 3.32 -1.38 0.31 116.42 120.39 1nl3 h ASP 776 Ca -0.06 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 1nl3 h ASP 776 Cb 0.76 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1nl3 h ASP 776 CO 0.01 0.60 -0.60 -0.09 -1.72 0.00 0.00 179.24 177.44 1nl3 h ARG 777 N 1.07 0.66 0.00 3.56 2.43 -1.47 -0.94 114.38 119.69 1nl3 h ARG 777 Ca 0.42 -0.44 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 1nl3 h ARG 777 Cb 0.23 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1nl3 h ARG 777 CO -0.17 1.06 -0.89 0.87 -1.51 0.00 0.00 179.97 179.33 1nl3 h LYS 778 N 0.49 0.00 0.13 0.20 1.79 0.28 -2.51 116.57 116.95 1nl3 h LYS 778 Ca -0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 1nl3 h LYS 778 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1nl3 h LYS 778 CO 0.12 0.61 -1.33 2.35 -1.08 0.00 0.00 179.45 180.12 1nl3 h TRP 779 N 0.00 0.50 -0.85 -1.35 2.91 -0.50 -1.77 115.95 114.89 1nl3 h TRP 779 Ca -0.05 -0.37 0.18 0.00 1.13 0.00 0.00 58.89 59.78 1nl3 h TRP 779 Cb 1.58 -0.02 -0.11 0.00 -0.51 0.00 0.00 29.16 30.10 1nl3 h TRP 779 CO 0.00 1.52 0.39 -0.09 -1.03 0.00 0.00 178.44 179.23 1nl3 h ARG 780 N -0.27 0.48 -0.24 2.65 2.43 -1.25 0.14 114.38 118.32 1nl3 h ARG 780 Ca -0.28 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.73 1nl3 h ARG 780 Cb 1.78 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 1nl3 h ARG 780 CO 0.09 0.32 -0.40 1.49 -1.51 0.00 0.00 179.97 179.97 1nl3 h GLU 781 N 0.50 0.55 -0.44 0.20 4.81 -1.43 -2.85 114.58 115.92 1nl3 h GLU 781 Ca 0.49 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1nl3 h GLU 781 Cb 0.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1nl3 h GLU 781 CO -0.44 0.86 0.08 1.25 -0.73 0.00 0.00 179.01 180.03 1nl3 h HIS 782 N 0.46 0.76 -0.35 0.92 2.76 -0.20 -2.83 115.15 116.66 1nl3 h HIS 782 Ca 0.04 -0.10 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1nl3 h HIS 782 Cb 0.89 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.60 1nl3 h HIS 782 CO 0.03 0.72 0.11 -0.07 -1.30 0.00 0.00 177.93 177.42 1nl3 h LEU 783 N 0.58 0.09 -0.76 0.26 3.38 -0.96 0.18 115.31 118.09 1nl3 h LEU 783 Ca 0.13 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.31 1nl3 h LEU 783 Cb 0.36 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1nl3 h LEU 783 CO 0.01 0.09 0.23 0.22 0.09 0.00 0.00 178.44 179.07 1nl3 h TYR 784 N 0.25 0.37 0.03 1.13 3.20 -1.44 0.83 116.97 121.33 1nl3 h TYR 784 Ca 0.16 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.82 1nl3 h TYR 784 Cb 0.16 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.40 1nl3 h TYR 784 CO -0.16 -0.05 -1.05 0.93 -1.64 0.00 0.00 178.16 176.19 1nl3 h GLU 785 N 0.32 0.56 0.00 1.82 4.39 -1.10 -3.10 114.58 117.46 1nl3 h GLU 785 Ca 0.43 -0.64 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1nl3 h GLU 785 Cb 0.74 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1nl3 h GLU 785 CO -0.49 1.25 -0.17 0.52 -1.16 0.00 0.00 179.01 178.96 1nl3 h MET 786 N 0.30 0.00 0.37 2.33 2.86 0.29 -0.22 114.93 120.86 1nl3 h MET 786 Ca -0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1nl3 h MET 786 Cb 1.71 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.34 1nl3 h MET 786 CO 0.20 0.17 -0.44 -0.44 1.06 0.00 0.00 176.91 177.46 1nl3 h ASP 787 N 0.00 -1.22 -0.74 1.22 3.32 0.71 -2.25 116.42 117.46 1nl3 h ASP 787 Ca -0.00 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1nl3 h ASP 787 Cb 0.31 0.42 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1nl3 h ASP 787 CO 0.02 -0.58 0.43 1.88 -1.72 0.00 0.00 179.24 179.27 1nl3 h TYR 788 N -0.85 1.00 -0.71 4.55 0.05 -1.36 -2.90 116.97 116.75 1nl3 h TYR 788 Ca -0.03 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1nl3 h TYR 788 Cb 0.77 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1nl3 h TYR 788 CO -0.26 0.68 0.23 1.25 -1.05 0.00 0.00 178.16 179.01 1nl3 h LEU 789 N 1.04 1.01 -0.15 3.88 5.85 -0.92 -3.03 115.31 122.99 1nl3 h LEU 789 Ca 0.27 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1nl3 h LEU 789 Cb -0.01 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 1nl3 h LEU 789 CO -0.05 0.94 -0.04 0.50 -0.34 0.00 0.00 178.44 179.45 1nl3 h LYS 790 N 1.05 0.29 0.11 1.25 3.64 -1.20 -3.01 116.57 118.69 1nl3 h LYS 790 Ca 0.23 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nl3 h LYS 790 Cb 0.28 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1nl3 h LYS 790 CO -0.01 0.57 -0.15 0.93 -2.27 0.00 0.00 179.45 178.53 1nl3 h GLU 791 N -0.02 -0.25 0.00 1.90 4.39 -1.49 -3.16 114.58 115.95 1nl3 h GLU 791 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1nl3 h GLU 791 Cb 0.47 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1nl3 h GLU 791 CO 0.02 -0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.11 1nl3 n GLY 792 N -1.15 -0.66 0.14 -3.84 0.00 -1.15 -3.34 105.19 95.19 1nl3 n GLY 792 Ca -0.03 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1nl3 n GLY 792 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nl3 h ILE 793 N 0.00 0.69 0.00 -0.61 6.09 -1.48 -2.84 117.51 119.35 1nl3 h ILE 793 Ca 0.00 -2.02 0.00 0.00 -1.37 0.00 0.00 64.86 61.47 1nl3 h ILE 793 Cb 0.00 2.29 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1nl3 h ILE 793 CO 0.00 0.39 0.12 0.61 -3.07 0.00 0.00 178.15 176.21 1nl3 n GLY 794 N 1.24 -0.69 0.73 8.18 0.00 -1.21 -0.91 105.19 112.52 1nl3 n GLY 794 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1nl3 n GLY 794 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nl3 n LEU 795 N -2.03 2.17 -0.37 0.99 7.94 -1.07 -3.84 117.00 120.79 1nl3 n LEU 795 Ca -0.01 -0.92 0.07 0.00 -1.11 0.00 0.00 56.01 54.04 1nl3 n LEU 795 Cb 0.14 -0.15 0.01 0.00 0.53 0.00 0.00 43.42 43.95 1nl3 n LEU 795 CO 0.06 0.46 0.29 0.54 -1.11 0.00 0.00 177.39 177.64 1nl3 n ARG 796 N 0.66 1.67 -1.19 1.96 1.74 -0.08 -4.89 116.66 116.53 1nl3 n ARG 796 Ca 0.17 -0.86 -0.39 0.00 -0.77 0.00 0.00 57.85 55.99 1nl3 n ARG 796 Cb 0.40 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 1nl3 n ARG 796 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nl3 n ALA 797 N 0.01 2.28 -1.96 7.54 0.00 -1.25 -4.88 120.51 122.25 1nl3 n ALA 797 Ca 0.06 -3.05 -0.26 0.00 0.00 0.00 0.00 53.44 50.19 1nl3 n ALA 797 Cb 0.32 -3.62 0.13 0.00 0.00 0.00 0.00 19.45 16.28 1nl3 n ALA 797 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nl3 s MET 798 N 5.94 1.35 -0.44 0.00 0.23 -1.26 -4.97 119.30 120.15 1nl3 s MET 798 Ca 0.64 -0.74 -0.27 0.00 -1.03 0.00 0.00 55.69 54.28 1nl3 s MET 798 Cb 0.11 -2.13 -0.03 0.00 -1.53 0.00 0.00 34.83 31.25 1nl3 s MET 798 CO 0.18 -1.79 1.98 0.00 -2.03 0.00 0.00 175.02 173.36 1nl3 s ALA 799 N -3.44 2.39 -0.08 3.16 0.00 -1.26 -4.17 121.76 118.37 1nl3 s ALA 799 Ca 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1nl3 s ALA 799 Cb -0.05 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1nl3 s ALA 799 CO 0.48 -3.41 0.02 1.04 0.00 0.00 0.00 175.76 173.89 1nl3 n GLN 800 N 8.82 -1.10 0.00 0.00 1.13 -1.26 -5.05 117.38 119.91 1nl3 n GLN 800 Ca 0.25 1.22 0.00 0.00 -1.94 0.00 0.00 57.00 56.53 1nl3 n GLN 800 Cb 0.50 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.59 1nl3 n GLN 800 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1nl3 n ARG 801 N 0.28 0.00 -2.98 -1.09 -4.01 -1.26 -5.12 116.66 102.48 1nl3 n ARG 801 Ca -0.03 0.00 -0.01 0.00 -1.04 0.00 0.00 57.85 56.77 1nl3 n ARG 801 Cb 0.05 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.46 1nl3 n ARG 801 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1nl3 n ASP 802 N -0.35 -6.01 0.34 2.89 2.03 -1.26 -4.58 116.55 109.61 1nl3 n ASP 802 Ca 0.00 1.03 0.22 0.00 0.52 0.00 0.00 54.79 56.56 1nl3 n ASP 802 Cb 0.00 -2.41 1.19 0.00 -0.72 0.00 0.00 41.12 39.19 1nl3 n ASP 802 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nl3 h PRO 803 N 4.78 0.00 -0.28 -0.67 0.13 -1.90 -1.66 132.00 132.41 1nl3 h PRO 803 Ca -0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 1nl3 h PRO 803 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1nl3 h PRO 803 CO 0.00 0.00 -0.47 1.25 -0.23 0.00 0.00 178.00 178.55 1nl3 h LEU 804 N 0.00 0.82 -0.21 1.56 5.85 -1.94 -2.32 115.31 119.06 1nl3 h LEU 804 Ca 0.00 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1nl3 h LEU 804 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1nl3 h LEU 804 CO -0.00 1.16 0.09 0.58 -0.34 0.00 0.00 178.44 179.92 1nl3 h VAL 805 N 0.59 1.16 -0.55 1.05 2.07 -1.57 -0.45 116.25 118.54 1nl3 h VAL 805 Ca 0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1nl3 h VAL 805 Cb 1.04 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1nl3 h VAL 805 CO 0.10 0.15 0.28 -0.33 0.02 0.00 0.00 177.57 177.79 1nl3 h GLU 806 N 0.18 0.77 -0.10 1.57 4.39 -1.57 -1.73 114.58 118.10 1nl3 h GLU 806 Ca 0.07 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1nl3 h GLU 806 Cb 0.16 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1nl3 h GLU 806 CO -0.01 0.59 -0.58 -0.92 -1.16 0.00 0.00 179.01 176.93 1nl3 h TYR 807 N 0.77 0.40 0.09 4.33 3.20 -1.20 -2.39 116.97 122.18 1nl3 h TYR 807 Ca 0.20 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1nl3 h TYR 807 Cb 0.06 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1nl3 h TYR 807 CO 0.01 0.82 -0.05 0.37 -1.64 0.00 0.00 178.16 177.68 1nl3 h GLN 808 N 0.24 -0.12 -0.03 1.82 4.15 -0.73 -1.34 115.11 119.10 1nl3 h GLN 808 Ca -0.00 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1nl3 h GLN 808 Cb 1.09 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1nl3 h GLN 808 CO 0.10 0.26 -0.25 0.00 -1.93 0.00 0.00 178.83 177.00 1nl3 h ARG 809 N -0.53 -0.29 -0.65 1.69 3.08 -1.28 0.39 114.38 116.79 1nl3 h ARG 809 Ca -0.01 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1nl3 h ARG 809 Cb 0.44 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1nl3 h ARG 809 CO 0.02 -0.19 0.34 0.93 -1.07 0.00 0.00 179.97 180.00 1nl3 h GLU 810 N -0.30 0.91 -0.42 0.04 5.08 -1.55 0.98 114.58 119.32 1nl3 h GLU 810 Ca 0.01 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 1nl3 h GLU 810 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1nl3 h GLU 810 CO -0.19 0.68 -0.33 0.78 -1.00 0.00 0.00 179.01 178.95 1nl3 h GLY 811 N 0.98 1.05 1.25 -3.84 0.00 -0.95 -1.80 103.07 99.76 1nl3 h GLY 811 Ca 0.23 -1.03 -0.19 0.00 0.00 0.00 0.00 47.33 46.34 1nl3 h GLY 811 CO -0.03 0.93 -0.63 -0.97 0.00 0.00 0.00 176.54 175.84 1nl3 h TYR 812 N 0.80 0.99 0.01 5.60 0.05 0.41 -1.43 116.97 123.41 1nl3 h TYR 812 Ca 0.08 -0.38 0.01 0.00 0.05 0.00 0.00 58.73 58.49 1nl3 h TYR 812 Cb 0.93 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 1nl3 h TYR 812 CO 0.06 1.19 -0.41 -0.44 -1.05 0.00 0.00 178.16 177.51 1nl3 h ASP 813 N 0.57 -1.27 -1.03 3.88 3.32 -0.79 -0.87 116.42 120.23 1nl3 h ASP 813 Ca -0.01 0.14 0.26 0.00 0.02 0.00 0.00 57.03 57.44 1nl3 h ASP 813 Cb 1.23 0.48 -0.11 0.00 0.22 0.00 0.00 39.33 41.15 1nl3 h ASP 813 CO 0.13 -0.41 0.64 0.24 -1.72 0.00 0.00 179.24 178.12 1nl3 h MET 814 N -0.53 0.46 -0.32 3.56 2.86 -1.29 0.42 114.93 120.09 1nl3 h MET 814 Ca 0.01 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1nl3 h MET 814 Cb 0.56 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1nl3 h MET 814 CO -0.27 0.31 0.09 0.35 1.06 0.00 0.00 176.91 178.45 1nl3 h PHE 815 N 0.48 0.53 -0.23 -0.22 3.57 -0.37 0.14 116.94 120.84 1nl3 h PHE 815 Ca 0.62 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 62.01 1nl3 h PHE 815 Cb 1.39 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1nl3 h PHE 815 CO -0.00 0.54 -0.06 0.52 -2.23 0.00 0.00 178.31 177.07 1nl3 h MET 816 N 0.36 0.44 -0.44 1.11 2.86 0.16 -0.33 114.93 119.10 1nl3 h MET 816 Ca 0.10 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.66 1nl3 h MET 816 Cb 0.26 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 1nl3 h MET 816 CO -0.00 0.69 -0.06 0.00 1.06 0.00 0.00 176.91 178.59 1nl3 h ALA 817 N 0.74 0.34 -0.69 6.32 0.00 -0.85 -0.94 119.26 124.19 1nl3 h ALA 817 Ca 0.06 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1nl3 h ALA 817 Cb 0.53 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1nl3 h ALA 817 CO 0.02 -0.43 0.37 1.98 0.00 0.00 0.00 179.25 181.20 1nl3 h MET 818 N 0.04 0.65 -0.27 0.00 -1.53 -0.50 -1.12 114.93 112.20 1nl3 h MET 818 Ca 0.22 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 1nl3 h MET 818 Cb 0.33 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 1nl3 h MET 818 CO -0.42 0.43 0.13 -0.07 0.14 0.00 0.00 176.91 177.13 1nl3 h LEU 819 N 0.67 0.36 0.09 3.39 3.38 0.22 -1.85 115.31 121.58 1nl3 h LEU 819 Ca 0.32 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1nl3 h LEU 819 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1nl3 h LEU 819 CO -0.21 0.38 -0.17 0.44 0.09 0.00 0.00 178.44 178.97 1nl3 h ASP 820 N 0.31 -0.47 -0.05 -0.43 3.32 -0.72 -0.69 116.42 117.69 1nl3 h ASP 820 Ca 0.09 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1nl3 h ASP 820 Cb 0.12 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1nl3 h ASP 820 CO -0.01 -0.24 0.21 1.23 -1.72 0.00 0.00 179.24 178.70 1nl3 h GLY 821 N -0.33 0.00 1.33 2.75 0.00 -1.13 0.92 103.07 106.62 1nl3 h GLY 821 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.10 1nl3 h GLY 821 CO -0.09 0.00 -1.02 1.98 0.00 0.00 0.00 176.54 177.40 1nl3 h MET 822 N 0.00 0.59 0.18 4.80 -1.53 -0.27 -2.70 114.93 116.00 1nl3 h MET 822 Ca 0.02 -0.65 -0.01 0.00 -3.44 0.00 0.00 59.70 55.62 1nl3 h MET 822 Cb 0.44 0.19 0.00 0.00 -0.55 0.00 0.00 31.60 31.68 1nl3 h MET 822 CO -0.00 1.25 -0.09 0.87 0.14 0.00 0.00 176.91 179.09 1nl3 h LYS 823 N 0.33 -0.23 0.05 0.39 1.57 -0.38 -2.70 116.57 115.60 1nl3 h LYS 823 Ca -0.12 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1nl3 h LYS 823 Cb 1.67 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 1nl3 h LYS 823 CO 0.19 0.17 -0.14 1.49 -0.57 0.00 0.00 179.45 180.59 1nl3 h GLU 824 N -0.74 -0.20 -0.69 3.15 4.81 -1.32 -2.01 114.58 117.58 1nl3 h GLU 824 Ca -0.02 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1nl3 h GLU 824 Cb 0.51 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1nl3 h GLU 824 CO 0.04 -0.13 0.49 0.93 -0.73 0.00 0.00 179.01 179.61 1nl3 h GLU 825 N -0.21 0.04 0.03 1.92 5.08 -1.61 -1.27 114.58 118.56 1nl3 h GLU 825 Ca -0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nl3 h GLU 825 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1nl3 h GLU 825 CO -0.07 0.02 -0.02 0.77 -1.00 0.00 0.00 179.01 178.72 1nl3 h SER 826 N 0.04 -0.04 -0.72 1.42 0.02 -1.06 -2.23 113.55 110.97 1nl3 h SER 826 Ca 0.33 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1nl3 h SER 826 Cb 1.27 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1nl3 h SER 826 CO -0.02 0.18 0.42 -0.37 -1.14 0.00 0.00 176.83 175.90 1nl3 h VAL 827 N -0.25 1.21 0.00 2.27 -1.51 -0.55 0.20 116.25 117.62 1nl3 h VAL 827 Ca -0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1nl3 h VAL 827 Cb 0.23 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.63 1nl3 h VAL 827 CO 0.01 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.19 1nl3 n GLY 828 N -1.13 -3.07 0.43 5.19 0.00 -0.85 -1.33 105.19 104.43 1nl3 n GLY 828 Ca 0.06 0.44 0.24 0.00 0.00 0.00 0.00 46.02 46.76 1nl3 n GLY 828 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1nl3 h PHE 829 N 0.00 0.37 -0.70 1.61 0.04 -1.38 0.78 116.94 117.66 1nl3 h PHE 829 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1nl3 h PHE 829 Cb 0.00 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 1nl3 h PHE 829 CO -0.39 0.07 0.40 -0.07 -0.60 0.00 0.00 178.31 177.72 1nl3 h LEU 830 N 0.25 0.86 0.22 1.54 3.38 -0.38 -0.55 115.31 120.63 1nl3 h LEU 830 Ca 0.50 -0.08 -0.32 0.00 0.09 0.00 0.00 57.88 58.07 1nl3 h LEU 830 Cb 1.53 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 42.09 1nl3 h LEU 830 CO -0.15 0.69 -1.48 -0.26 0.09 0.00 0.00 178.44 177.33 1nl3 h PHE 831 N 0.96 0.86 -0.00 1.13 0.04 0.37 -3.40 116.94 116.89 1nl3 h PHE 831 Ca 0.25 -0.63 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1nl3 h PHE 831 Cb 0.01 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1nl3 h PHE 831 CO -0.01 1.57 -0.34 0.09 -0.60 0.00 0.00 178.31 179.02 1nl3 n ASN 832 N -3.74 0.83 -4.74 2.17 3.02 -0.08 -5.02 115.26 107.71 1nl3 n ASN 832 Ca -0.19 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.03 1nl3 n ASN 832 Cb 1.06 0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 40.95 1nl3 n ASN 832 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nl3 s VAL 833 N -1.67 2.61 0.14 2.41 0.11 -0.22 -4.04 120.40 119.75 1nl3 s VAL 833 Ca 0.06 0.50 -0.35 0.00 -2.93 0.00 0.00 61.98 59.27 1nl3 s VAL 833 Cb 0.08 -3.32 -0.15 0.00 -1.53 0.00 0.00 36.38 31.45 1nl3 s VAL 833 CO 0.33 0.07 1.39 0.41 -3.33 0.00 0.00 175.10 173.98 1nl3 n THR 834 N 2.55 0.25 0.46 5.04 -1.04 0.73 -5.00 114.28 117.27 1nl3 n THR 834 Ca 0.08 -0.06 0.05 0.00 -2.04 0.00 0.00 64.05 62.08 1nl3 n THR 834 Cb 0.40 -1.11 0.05 0.00 -1.82 0.00 0.00 70.33 67.84 1nl3 n THR 834 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95