#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dj4 s THR 7 N 0.00 1.56 -0.08 5.18 -4.23 -1.26 -1.82 115.64 115.00 3dj4 s THR 7 Ca 0.00 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 3dj4 s THR 7 Cb 0.00 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 3dj4 s THR 7 CO 0.00 -0.25 -0.21 0.00 -0.54 0.00 0.00 174.62 173.62 3dj4 s ALA 8 N -1.69 2.34 -0.16 3.99 0.00 -0.02 -2.33 121.76 123.88 3dj4 s ALA 8 Ca 0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3dj4 s ALA 8 Cb -0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3dj4 s ALA 8 CO 0.04 0.38 -0.07 0.08 0.00 0.00 0.00 175.76 176.20 3dj4 s VAL 9 N -0.06 3.48 -0.12 0.00 1.01 -0.43 -0.96 120.40 123.31 3dj4 s VAL 9 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3dj4 s VAL 9 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3dj4 s VAL 9 CO 0.04 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 3dj4 s LEU 10 N 0.65 3.18 -0.19 3.92 1.43 0.32 -0.38 118.68 127.61 3dj4 s LEU 10 Ca -0.04 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3dj4 s LEU 10 Cb -0.15 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3dj4 s LEU 10 CO 0.02 0.24 -0.06 -0.69 0.23 0.00 0.00 176.35 176.09 3dj4 s VAL 11 N -0.07 3.38 -0.36 -1.59 1.01 0.12 -1.32 120.40 121.57 3dj4 s VAL 11 Ca 0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 3dj4 s VAL 11 Cb -0.13 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3dj4 s VAL 11 CO 0.03 0.45 0.51 -0.76 0.00 0.00 0.00 175.10 175.33 3dj4 s LEU 12 N 1.10 4.38 -0.09 3.92 1.43 -0.23 -1.11 118.68 128.08 3dj4 s LEU 12 Ca 0.01 -0.07 0.24 0.00 -1.03 0.00 0.00 54.13 53.28 3dj4 s LEU 12 Cb -0.15 -2.57 0.45 0.00 0.03 0.00 0.00 46.19 43.96 3dj4 s LEU 12 CO -0.01 -0.49 1.16 0.00 0.23 0.00 0.00 176.35 177.24 3dj4 n ALA 13 N 5.74 2.55 0.32 4.21 0.00 -0.18 -1.36 120.51 131.79 3dj4 n ALA 13 Ca -0.05 -2.55 0.04 0.00 0.00 0.00 0.00 53.44 50.88 3dj4 n ALA 13 Cb 0.49 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.20 3dj4 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dj4 n ALA 14 N 0.07 2.60 -1.04 0.00 0.00 -1.16 -4.27 120.51 116.72 3dj4 n ALA 14 Ca 0.08 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 3dj4 n ALA 14 Cb 1.02 -0.26 0.15 0.00 0.00 0.00 0.00 19.45 20.37 3dj4 n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dj4 s GLY 15 N -0.93 1.63 0.14 0.00 0.00 -1.26 -4.37 107.32 102.52 3dj4 s GLY 15 Ca 0.07 0.08 0.26 0.00 0.00 0.00 0.00 44.72 45.13 3dj4 s GLY 15 CO 0.15 0.57 1.80 -1.55 0.00 0.00 0.00 173.10 174.08 3dj4 n PRO 16 N -4.04 0.17 -3.30 2.90 -0.04 -1.26 -4.94 135.00 124.48 3dj4 n PRO 16 Ca 0.08 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.47 3dj4 n PRO 16 Cb 0.54 -1.71 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 3dj4 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dj4 n GLY 17 N 1.20 -0.53 0.31 0.55 0.00 -1.26 -4.85 105.19 100.61 3dj4 n GLY 17 Ca 0.06 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.33 3dj4 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dj4 h THR 18 N -1.90 0.76 -0.01 2.61 2.02 -1.93 -2.13 112.91 112.33 3dj4 h THR 18 Ca -0.54 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3dj4 h THR 18 Cb 1.37 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3dj4 h THR 18 CO 0.57 0.12 -0.04 0.54 0.37 0.00 0.00 175.52 177.09 3dj4 n ARG 19 N -4.83 1.13 0.20 6.66 1.74 -1.26 -2.39 116.66 117.91 3dj4 n ARG 19 Ca 0.17 -0.40 0.13 0.00 -0.77 0.00 0.00 57.85 56.98 3dj4 n ARG 19 Cb 0.42 -1.49 0.35 0.00 -1.02 0.00 0.00 32.46 30.72 3dj4 n ARG 19 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3dj4 h MET 20 N 0.98 0.00 -6.79 5.56 2.86 -1.47 -3.41 114.93 112.67 3dj4 h MET 20 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 3dj4 h MET 20 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3dj4 h MET 20 CO 0.00 0.00 -0.99 0.54 1.06 0.00 0.00 176.91 177.52 3dj4 n ARG 21 N -2.87 -0.62 -4.22 1.72 5.12 -1.00 -4.75 116.66 110.03 3dj4 n ARG 21 Ca 0.03 0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 55.96 3dj4 n ARG 21 Cb 0.44 -3.02 -0.14 0.00 -1.16 0.00 0.00 32.46 28.58 3dj4 n ARG 21 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3dj4 s SER 22 N -3.62 0.95 0.00 0.55 0.15 -1.26 -5.02 113.70 105.45 3dj4 s SER 22 Ca 0.43 -0.28 0.30 0.00 0.70 0.00 0.00 55.95 57.10 3dj4 s SER 22 Cb -0.22 -0.06 1.50 0.00 -1.71 0.00 0.00 66.02 65.53 3dj4 s SER 22 CO 0.95 0.00 2.01 0.47 1.20 0.00 0.00 173.24 177.87 3dj4 n ASP 23 N 2.39 0.44 -4.71 5.45 8.00 -1.26 -4.78 116.55 122.08 3dj4 n ASP 23 Ca -0.16 -0.90 -0.36 0.00 0.71 0.00 0.00 54.79 54.08 3dj4 n ASP 23 Cb 0.56 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 3dj4 n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dj4 s THR 24 N -2.19 5.33 0.19 -3.53 2.01 -1.26 -5.06 115.64 111.12 3dj4 s THR 24 Ca 0.39 0.41 -0.33 0.00 0.31 0.00 0.00 61.69 62.47 3dj4 s THR 24 Cb 0.21 -3.58 -0.14 0.00 0.01 0.00 0.00 72.50 69.00 3dj4 s THR 24 CO 0.40 0.37 1.45 -2.65 -0.69 0.00 0.00 174.62 173.50 3dj4 n PRO 25 N 3.82 1.93 -0.27 4.92 -0.02 -1.26 -4.88 135.00 139.25 3dj4 n PRO 25 Ca -0.13 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 3dj4 n PRO 25 Cb 0.52 -2.38 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 3dj4 n PRO 25 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dj4 h LYS 26 N 4.83 0.12 0.00 -0.52 3.64 -1.89 -0.28 116.57 122.47 3dj4 h LYS 26 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3dj4 h LYS 26 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3dj4 h LYS 26 CO 0.80 0.08 0.00 0.28 -2.27 0.00 0.00 179.45 178.34 3dj4 n VAL 27 N -5.32 0.95 1.11 2.00 0.31 -1.26 -1.67 118.33 114.44 3dj4 n VAL 27 Ca 0.15 0.45 0.12 0.00 -0.01 0.00 0.00 64.34 65.06 3dj4 n VAL 27 Cb 0.51 -1.42 0.30 0.00 -0.91 0.00 0.00 33.84 32.33 3dj4 n VAL 27 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dj4 n LEU 28 N -2.22 0.75 -4.76 7.52 4.77 -0.12 -1.40 117.00 121.53 3dj4 n LEU 28 Ca 0.01 -0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 3dj4 n LEU 28 Cb 0.14 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3dj4 n LEU 28 CO 0.15 0.16 0.91 -1.00 -1.33 0.00 0.00 177.39 176.28 3dj4 s HIS 29 N -2.77 3.25 0.19 -1.77 3.76 -0.67 -4.66 115.29 112.62 3dj4 s HIS 29 Ca 0.17 1.51 0.06 0.00 -0.15 0.00 0.00 55.06 56.65 3dj4 s HIS 29 Cb 0.18 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 3dj4 s HIS 29 CO 0.62 -1.38 0.13 0.95 -0.85 0.00 0.00 174.74 174.20 3dj4 s THR 30 N -1.10 4.35 -0.14 1.30 -4.23 -1.26 -1.42 115.64 113.14 3dj4 s THR 30 Ca 0.48 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.64 3dj4 s THR 30 Cb -0.37 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.26 3dj4 s THR 30 CO 0.48 -0.17 0.38 -1.48 -0.54 0.00 0.00 174.62 173.29 3dj4 s LEU 31 N -3.27 0.52 -1.28 4.79 0.05 -0.88 -4.95 118.68 113.66 3dj4 s LEU 31 Ca 0.31 0.76 -0.07 0.00 0.05 0.00 0.00 54.13 55.18 3dj4 s LEU 31 Cb -0.09 1.28 0.05 0.00 -2.05 0.00 0.00 46.19 45.38 3dj4 s LEU 31 CO 0.23 -0.13 0.42 0.00 -0.55 0.00 0.00 176.35 176.31 3dj4 n ALA 32 N 2.98 -1.00 -0.46 1.48 0.00 -1.26 -1.67 120.51 120.58 3dj4 n ALA 32 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3dj4 n ALA 32 Cb 0.57 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3dj4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dj4 n GLY 33 N -1.16 0.83 2.92 0.00 0.00 -1.26 -2.69 105.19 103.82 3dj4 n GLY 33 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 3dj4 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dj4 s ARG 34 N -0.49 0.33 0.62 1.61 0.52 -0.67 -4.98 118.95 115.89 3dj4 s ARG 34 Ca 0.00 -0.12 -0.18 0.00 -0.52 0.00 0.00 55.73 54.91 3dj4 s ARG 34 Cb 0.00 -0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.09 3dj4 s ARG 34 CO 0.00 0.06 0.86 -1.13 0.02 0.00 0.00 175.30 175.11 3dj4 n SER 35 N 3.11 0.27 -0.31 0.23 3.41 -1.26 -2.08 113.62 116.98 3dj4 n SER 35 Ca -0.14 0.75 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3dj4 n SER 35 Cb 0.58 -1.34 0.24 0.00 -0.26 0.00 0.00 64.21 63.43 3dj4 n SER 35 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3dj4 h MET 36 N 0.26 0.65 -0.74 4.33 0.00 -1.15 -0.14 114.93 118.14 3dj4 h MET 36 Ca -0.48 -0.04 0.01 0.00 0.00 0.00 0.00 59.70 59.19 3dj4 h MET 36 Cb 1.37 -0.15 -0.04 0.00 0.00 0.00 0.00 31.60 32.78 3dj4 h MET 36 CO 0.49 0.43 0.48 1.25 0.00 0.00 0.00 176.91 179.56 3dj4 h LEU 37 N 0.67 0.86 -0.74 1.22 5.85 -1.40 -0.47 115.31 121.31 3dj4 h LEU 37 Ca 0.49 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 59.08 3dj4 h LEU 37 Cb 0.69 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3dj4 h LEU 37 CO -0.36 0.63 -0.10 -1.28 -0.34 0.00 0.00 178.44 176.99 3dj4 h SER 38 N 1.01 0.86 0.32 1.25 0.87 -1.53 0.35 113.55 116.67 3dj4 h SER 38 Ca 0.27 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3dj4 h SER 38 Cb -0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 3dj4 h SER 38 CO -0.06 0.97 -0.35 0.45 -0.53 0.00 0.00 176.83 177.32 3dj4 h HIS 39 N 0.78 -0.94 -0.18 2.24 3.86 -0.78 -1.55 115.15 118.59 3dj4 h HIS 39 Ca 0.13 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3dj4 h HIS 39 Cb 0.61 0.37 -0.04 0.00 1.06 0.00 0.00 27.41 29.41 3dj4 h HIS 39 CO 0.03 -0.48 -0.07 0.28 0.86 0.00 0.00 177.93 178.55 3dj4 h VAL 40 N -0.70 0.76 -0.13 2.45 2.07 -0.94 -2.46 116.25 117.31 3dj4 h VAL 40 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3dj4 h VAL 40 Cb 0.64 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3dj4 h VAL 40 CO -0.08 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.38 3dj4 h LEU 41 N -0.04 0.17 -0.98 2.57 3.38 -0.28 -2.49 115.31 117.64 3dj4 h LEU 41 Ca 0.10 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3dj4 h LEU 41 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3dj4 h LEU 41 CO -0.21 0.26 -0.22 0.45 0.09 0.00 0.00 178.44 178.81 3dj4 h HIS 42 N 0.18 0.53 -0.31 1.13 3.86 -0.97 -1.72 115.15 117.85 3dj4 h HIS 42 Ca 0.04 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 58.99 3dj4 h HIS 42 Cb 0.23 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3dj4 h HIS 42 CO 0.00 0.67 -0.42 0.00 0.86 0.00 0.00 177.93 179.04 3dj4 h ALA 43 N 1.34 0.67 0.00 2.45 0.00 -0.99 -3.10 119.26 119.64 3dj4 h ALA 43 Ca 0.07 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3dj4 h ALA 43 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dj4 h ALA 43 CO 0.04 0.67 -0.17 0.82 0.00 0.00 0.00 179.25 180.61 3dj4 h ILE 44 N 0.62 1.60 -0.89 0.00 2.04 -1.51 -3.15 117.51 116.22 3dj4 h ILE 44 Ca 0.04 -1.98 0.24 0.00 1.00 0.00 0.00 64.86 64.16 3dj4 h ILE 44 Cb 0.99 2.89 -0.14 0.00 -0.74 0.00 0.00 36.82 39.81 3dj4 h ILE 44 CO 0.09 0.53 0.26 0.00 0.00 0.00 0.00 178.15 179.04 3dj4 h ALA 45 N 0.21 1.34 -0.91 1.87 0.00 -1.36 0.13 119.26 120.54 3dj4 h ALA 45 Ca -0.02 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3dj4 h ALA 45 Cb 0.97 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3dj4 h ALA 45 CO 0.03 -0.48 0.58 0.87 0.00 0.00 0.00 179.25 180.25 3dj4 h LYS 46 N 0.21 1.04 0.00 0.00 1.79 -1.53 0.65 116.57 118.73 3dj4 h LYS 46 Ca 0.57 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.94 3dj4 h LYS 46 Cb 1.17 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 3dj4 h LYS 46 CO -0.66 0.69 -0.17 1.25 -1.08 0.00 0.00 179.45 179.48 3dj4 h LEU 47 N 1.07 0.00 -3.49 2.94 5.85 -0.97 -3.48 115.31 117.22 3dj4 h LEU 47 Ca 0.38 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.70 3dj4 h LEU 47 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3dj4 h LEU 47 CO -0.16 0.17 -0.89 0.00 -0.34 0.00 0.00 178.44 177.22 3dj4 n ALA 48 N -2.33 -2.74 -1.61 1.25 0.00 0.22 -5.02 120.51 110.28 3dj4 n ALA 48 Ca -0.02 -0.24 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 3dj4 n ALA 48 Cb 0.28 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 18.86 3dj4 n ALA 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dj4 s PRO 49 N -4.73 0.89 0.05 0.00 0.04 -1.26 -4.99 135.00 125.00 3dj4 s PRO 49 Ca 0.03 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 3dj4 s PRO 49 Cb -0.02 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 3dj4 s PRO 49 CO 0.87 -2.33 1.25 1.96 0.04 0.00 0.00 177.00 178.80 3dj4 h GLN 50 N -1.59 0.55 -6.13 4.56 7.50 -1.86 -3.44 115.11 114.70 3dj4 h GLN 50 Ca -0.48 -0.43 -0.62 0.00 0.50 0.00 0.00 58.65 57.62 3dj4 h GLN 50 Cb 1.31 0.08 -0.29 0.00 0.05 0.00 0.00 27.48 28.63 3dj4 h GLN 50 CO 0.55 1.06 -0.86 1.03 -1.50 0.00 0.00 178.83 179.11 3dj4 s ARG 51 N -3.75 1.71 -0.05 1.46 1.81 -1.19 -5.03 118.95 113.91 3dj4 s ARG 51 Ca -0.13 -0.80 -0.02 0.00 -1.72 0.00 0.00 55.73 53.06 3dj4 s ARG 51 Cb 0.06 -1.68 0.04 0.00 -0.45 0.00 0.00 34.95 32.92 3dj4 s ARG 51 CO 0.83 0.46 0.10 -1.17 -0.68 0.00 0.00 175.30 174.84 3dj4 s LEU 52 N -0.61 0.46 -0.05 2.53 2.96 -1.26 -1.32 118.68 121.39 3dj4 s LEU 52 Ca 0.08 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3dj4 s LEU 52 Cb -0.08 0.12 0.02 0.00 0.50 0.00 0.00 46.19 46.74 3dj4 s LEU 52 CO -0.00 -0.19 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.13 3dj4 s ILE 53 N 1.67 0.74 -0.19 6.68 1.01 0.49 -0.65 121.20 130.95 3dj4 s ILE 53 Ca -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3dj4 s ILE 53 Cb -0.12 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3dj4 s ILE 53 CO -0.04 0.27 -0.00 -0.69 0.00 0.00 0.00 174.94 174.48 3dj4 s VAL 54 N 0.85 4.00 -0.31 2.92 1.01 0.16 -0.70 120.40 128.33 3dj4 s VAL 54 Ca -0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 3dj4 s VAL 54 Cb -0.15 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3dj4 s VAL 54 CO 0.01 0.44 0.59 -0.69 0.00 0.00 0.00 175.10 175.45 3dj4 s VAL 55 N 0.87 4.97 0.10 2.92 1.01 -0.26 -0.91 120.40 129.11 3dj4 s VAL 55 Ca 0.01 0.73 0.10 0.00 0.00 0.00 0.00 61.98 62.81 3dj4 s VAL 55 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3dj4 s VAL 55 CO 0.02 -0.14 -0.24 -0.76 0.00 0.00 0.00 175.10 173.98 3dj4 s LEU 56 N 2.53 2.40 0.00 3.92 1.43 0.45 -1.01 118.68 128.40 3dj4 s LEU 56 Ca 0.23 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3dj4 s LEU 56 Cb -0.15 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3dj4 s LEU 56 CO 0.12 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3dj4 n GLY 57 N 1.09 -0.02 3.56 -3.19 0.00 -1.26 -1.56 105.19 103.80 3dj4 n GLY 57 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3dj4 n GLY 57 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dj4 s HIS 58 N 1.10 1.31 -0.15 1.61 0.00 -1.26 -4.75 115.29 113.15 3dj4 s HIS 58 Ca 0.00 1.16 0.22 0.00 -3.00 0.00 0.00 55.06 53.43 3dj4 s HIS 58 Cb 0.00 -3.81 -0.15 0.00 -4.00 0.00 0.00 32.58 24.62 3dj4 s HIS 58 CO 0.00 -2.68 0.78 -0.40 -1.00 0.00 0.00 174.74 171.44 3dj4 n ASP 59 N 14.09 0.51 0.07 7.38 5.75 -1.26 -4.29 116.55 138.80 3dj4 n ASP 59 Ca 0.30 0.20 -0.05 0.00 -0.01 0.00 0.00 54.79 55.23 3dj4 n ASP 59 Cb 0.52 1.02 -0.10 0.00 -1.03 0.00 0.00 41.12 41.53 3dj4 n ASP 59 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 3dj4 h HIS 60 N 0.00 0.00 0.00 2.11 2.76 -2.00 0.25 115.15 118.27 3dj4 h HIS 60 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3dj4 h HIS 60 Cb 1.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.05 3dj4 h HIS 60 CO 0.00 0.92 0.00 0.94 -1.30 0.00 0.00 177.93 178.49 3dj4 n GLN 61 N -3.32 0.65 0.10 5.26 7.27 -1.26 -4.13 117.38 121.95 3dj4 n GLN 61 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3dj4 n GLN 61 Cb 0.91 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 32.09 3dj4 n GLN 61 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3dj4 n ARG 62 N -0.97 0.00 -0.14 3.69 1.74 -1.12 -4.80 116.66 115.07 3dj4 n ARG 62 Ca 0.15 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 3dj4 n ARG 62 Cb 0.07 -0.15 0.23 0.00 -1.02 0.00 0.00 32.46 31.59 3dj4 n ARG 62 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3dj4 n ILE 63 N -3.38 -0.18 -0.04 0.55 3.06 0.88 0.21 119.36 120.45 3dj4 n ILE 63 Ca 0.00 0.88 -0.10 0.00 -2.50 0.00 0.00 62.75 61.03 3dj4 n ILE 63 Cb 0.00 -1.41 -0.04 0.00 0.54 0.00 0.00 39.64 38.73 3dj4 n ILE 63 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dj4 h ALA 64 N 0.86 -0.39 -0.52 1.51 0.00 -1.80 -2.86 119.26 116.06 3dj4 h ALA 64 Ca 0.35 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 3dj4 h ALA 64 Cb 0.88 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3dj4 h ALA 64 CO -0.34 -0.82 0.13 -1.35 0.00 0.00 0.00 179.25 176.86 3dj4 h PRO 65 N -0.38 0.78 -6.76 0.00 0.11 0.21 -3.14 132.00 122.83 3dj4 h PRO 65 Ca 0.11 -0.15 -0.51 0.00 0.11 0.00 0.00 66.00 65.56 3dj4 h PRO 65 Cb 0.57 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 31.58 3dj4 h PRO 65 CO -0.43 0.71 0.49 -0.51 -0.21 0.00 0.00 178.00 178.05 3dj4 s LEU 66 N -9.32 4.52 0.00 2.35 1.43 -1.08 -2.05 118.68 114.53 3dj4 s LEU 66 Ca -0.09 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3dj4 s LEU 66 Cb 0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3dj4 s LEU 66 CO 0.79 -0.21 0.00 0.52 0.23 0.00 0.00 176.35 177.69 3dj4 n VAL 67 N 1.62 0.00 0.15 -1.59 0.31 -1.26 -4.33 118.33 113.23 3dj4 n VAL 67 Ca 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3dj4 n VAL 67 Cb 0.45 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.61 3dj4 n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3dj4 h GLY 68 N 0.00 0.00 0.00 2.92 0.00 -1.63 -1.99 103.07 102.37 3dj4 h GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dj4 h GLY 68 CO 0.00 0.00 -0.87 1.18 0.00 0.00 0.00 176.54 176.85 3dj4 n GLU 69 N -3.89 2.32 -0.11 4.80 4.71 -0.91 -4.85 120.64 122.71 3dj4 n GLU 69 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.91 3dj4 n GLU 69 Cb 0.55 -0.94 -0.12 0.00 -1.01 0.00 0.00 31.44 29.93 3dj4 n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3dj4 n LEU 70 N -1.99 2.54 0.11 -4.62 4.77 -0.87 -3.09 117.00 113.85 3dj4 n LEU 70 Ca 0.00 0.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 3dj4 n LEU 70 Cb 0.44 -0.92 0.43 0.00 -2.33 0.00 0.00 43.42 41.04 3dj4 n LEU 70 CO 0.00 0.77 0.97 0.00 -1.33 0.00 0.00 177.39 177.80 3dj4 h ALA 71 N -0.33 1.60 0.09 -1.18 0.00 -1.78 0.25 119.26 117.91 3dj4 h ALA 71 Ca -0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3dj4 h ALA 71 Cb 1.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3dj4 h ALA 71 CO -0.18 0.29 -0.04 -0.44 0.00 0.00 0.00 179.25 178.88 3dj4 h ASP 72 N 0.27 -0.10 -0.73 0.00 3.32 -1.54 0.38 116.42 118.01 3dj4 h ASP 72 Ca 0.06 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.79 3dj4 h ASP 72 Cb 0.24 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3dj4 h ASP 72 CO 0.01 0.35 0.42 0.74 -1.72 0.00 0.00 179.24 179.04 3dj4 h THR 73 N -0.57 0.97 -0.00 0.35 2.02 -1.45 -1.25 112.91 112.99 3dj4 h THR 73 Ca -0.01 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3dj4 h THR 73 Cb 0.47 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3dj4 h THR 73 CO 0.02 0.14 -0.24 0.18 0.37 0.00 0.00 175.52 175.99 3dj4 n LEU 74 N -4.75 0.61 -3.67 2.58 4.77 0.87 -4.95 117.00 112.46 3dj4 n LEU 74 Ca 0.10 -0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 3dj4 n LEU 74 Cb 0.19 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3dj4 n LEU 74 CO 0.29 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3dj4 n GLY 75 N 1.37 -0.34 3.28 -0.72 0.00 -0.02 -5.02 105.19 103.75 3dj4 n GLY 75 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 3dj4 n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dj4 s ARG 76 N -5.95 1.21 0.06 1.61 1.70 -0.39 -5.03 118.95 112.15 3dj4 s ARG 76 Ca 0.11 -1.45 -0.23 0.00 -0.47 0.00 0.00 55.73 53.68 3dj4 s ARG 76 Cb -0.05 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 3dj4 s ARG 76 CO 0.79 -0.42 0.69 0.99 -1.08 0.00 0.00 175.30 176.28 3dj4 s THR 77 N -4.08 4.71 -0.15 4.99 2.01 -1.26 -4.48 115.64 117.37 3dj4 s THR 77 Ca 0.30 1.48 -0.00 0.00 0.31 0.00 0.00 61.69 63.77 3dj4 s THR 77 Cb 0.05 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.56 3dj4 s THR 77 CO 0.08 0.44 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.74 3dj4 s ILE 78 N -0.45 1.20 0.26 1.82 1.01 -1.26 -4.56 121.20 119.23 3dj4 s ILE 78 Ca 0.34 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 3dj4 s ILE 78 Cb -0.20 -1.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.89 3dj4 s ILE 78 CO 0.21 0.24 0.76 -1.81 0.00 0.00 0.00 174.94 174.34 3dj4 s ASP 79 N 1.61 7.02 -0.17 3.58 1.01 0.17 -4.76 116.67 125.13 3dj4 s ASP 79 Ca 0.02 1.44 -0.06 0.00 0.71 0.00 0.00 52.55 54.66 3dj4 s ASP 79 Cb -0.14 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3dj4 s ASP 79 CO -0.08 -0.04 0.03 -0.69 0.21 0.00 0.00 175.17 174.59 3dj4 s VAL 80 N -1.65 4.48 0.02 -1.27 1.01 -1.26 0.35 120.40 122.07 3dj4 s VAL 80 Ca 0.47 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.38 3dj4 s VAL 80 Cb -0.15 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3dj4 s VAL 80 CO 0.20 0.48 -0.26 0.00 0.00 0.00 0.00 175.10 175.53 3dj4 s ALA 81 N 0.28 2.24 -0.14 5.51 0.00 -0.08 -4.92 121.76 124.64 3dj4 s ALA 81 Ca 0.01 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 3dj4 s ALA 81 Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3dj4 s ALA 81 CO 0.01 0.53 0.11 -0.51 0.00 0.00 0.00 175.76 175.91 3dj4 s LEU 82 N -0.98 4.17 -0.27 0.00 1.02 -1.26 -0.41 118.68 120.94 3dj4 s LEU 82 Ca 0.11 0.33 -0.00 0.00 0.02 0.00 0.00 54.13 54.59 3dj4 s LEU 82 Cb -0.10 -2.03 0.08 0.00 0.02 0.00 0.00 46.19 44.16 3dj4 s LEU 82 CO 0.01 0.33 0.04 -1.58 0.02 0.00 0.00 176.35 175.17 3dj4 s GLN 83 N -0.54 1.00 0.16 1.70 0.74 -0.60 -4.86 119.66 117.25 3dj4 s GLN 83 Ca 0.12 -1.01 -0.12 0.00 0.05 0.00 0.00 55.36 54.40 3dj4 s GLN 83 Cb -0.12 -2.29 0.04 0.00 1.10 0.00 0.00 33.01 31.74 3dj4 s GLN 83 CO 0.02 -0.82 1.64 -0.44 -0.55 0.00 0.00 175.29 175.14 3dj4 h ASP 84 N 8.04 0.85 -4.25 6.67 5.19 -1.90 -3.38 116.42 127.63 3dj4 h ASP 84 Ca -0.14 -0.27 -0.62 0.00 -0.62 0.00 0.00 57.03 55.38 3dj4 h ASP 84 Cb 1.05 -0.23 -0.30 0.00 0.18 0.00 0.00 39.33 40.03 3dj4 h ASP 84 CO 0.43 0.90 -0.86 -0.13 -3.12 0.00 0.00 179.24 176.46 3dj4 s ARG 85 N -5.18 1.93 -1.21 3.56 0.52 -1.26 -4.84 118.95 112.47 3dj4 s ARG 85 Ca -0.13 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.14 3dj4 s ARG 85 Cb 0.12 -1.76 -0.02 0.00 0.52 0.00 0.00 34.95 33.80 3dj4 s ARG 85 CO 0.81 0.40 2.00 -0.35 0.02 0.00 0.00 175.30 178.19 3dj4 n PRO 86 N 2.76 2.41 0.00 3.54 -0.04 -1.26 -4.73 135.00 137.67 3dj4 n PRO 86 Ca -0.16 -2.54 0.13 0.00 -0.04 0.00 0.00 63.50 60.88 3dj4 n PRO 86 Cb 0.52 -3.30 0.57 0.00 -0.04 0.00 0.00 33.50 31.25 3dj4 n PRO 86 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dj4 n LEU 87 N 8.10 0.00 0.00 1.53 4.32 -1.26 -4.99 117.00 124.70 3dj4 n LEU 87 Ca 0.50 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.96 3dj4 n LEU 87 Cb 0.42 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 3dj4 n LEU 87 CO 0.88 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.60 3dj4 n GLY 88 N 1.14 4.02 0.20 -0.72 0.00 -1.26 -1.03 105.19 107.54 3dj4 n GLY 88 Ca 0.07 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 3dj4 n GLY 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dj4 h THR 89 N 0.98 1.29 -0.42 2.61 1.35 -1.85 0.59 112.91 117.47 3dj4 h THR 89 Ca 0.00 -1.42 -0.04 0.00 -0.55 0.00 0.00 66.41 64.40 3dj4 h THR 89 Cb 0.00 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 3dj4 h THR 89 CO 0.00 0.42 0.09 1.23 -0.25 0.00 0.00 175.52 177.02 3dj4 h GLY 90 N 1.17 0.74 1.24 5.82 0.00 -1.44 -1.94 103.07 108.66 3dj4 h GLY 90 Ca 0.02 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3dj4 h GLY 90 CO 0.06 0.44 -0.03 0.84 0.00 0.00 0.00 176.54 177.84 3dj4 h HIS 91 N 0.55 0.99 -0.56 5.60 6.17 -1.35 -2.95 115.15 123.60 3dj4 h HIS 91 Ca 0.13 -0.16 0.06 0.00 0.71 0.00 0.00 60.37 61.10 3dj4 h HIS 91 Cb 0.33 -0.26 -0.05 0.00 2.52 0.00 0.00 27.41 29.95 3dj4 h HIS 91 CO 0.02 0.91 0.27 0.00 0.71 0.00 0.00 177.93 179.84 3dj4 h ALA 92 N 1.12 0.72 -0.13 5.26 0.00 0.27 -2.54 119.26 123.97 3dj4 h ALA 92 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3dj4 h ALA 92 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dj4 h ALA 92 CO 0.03 -0.09 0.01 0.28 0.00 0.00 0.00 179.25 179.49 3dj4 h VAL 93 N 0.52 0.93 -0.87 0.00 2.07 -1.26 -2.20 116.25 115.44 3dj4 h VAL 93 Ca 0.26 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.90 3dj4 h VAL 93 Cb 0.20 0.86 -0.15 0.00 -1.52 0.00 0.00 31.29 30.68 3dj4 h VAL 93 CO -0.19 0.01 -0.34 0.25 0.02 0.00 0.00 177.57 177.32 3dj4 h LEU 94 N 0.06 -1.25 -1.06 2.57 5.85 -1.43 0.11 115.31 120.16 3dj4 h LEU 94 Ca 0.06 0.28 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 3dj4 h LEU 94 Cb 0.06 0.67 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3dj4 h LEU 94 CO -0.09 -0.29 0.04 0.00 -0.34 0.00 0.00 178.44 177.76 3dj4 h GLY 96 N 0.93 1.36 2.00 0.00 0.00 -0.62 -2.99 103.07 103.75 3dj4 h GLY 96 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3dj4 h GLY 96 CO 0.01 0.39 -0.19 1.41 0.00 0.00 0.00 176.54 178.17 3dj4 h LEU 97 N 1.17 0.00 -0.47 3.11 3.38 -0.47 -2.46 115.31 119.58 3dj4 h LEU 97 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3dj4 h LEU 97 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dj4 h LEU 97 CO -0.12 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 3dj4 n SER 98 N -4.01 0.29 -0.55 -0.43 3.41 -1.13 -1.60 113.62 109.61 3dj4 n SER 98 Ca -0.02 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3dj4 n SER 98 Cb 0.27 -0.65 0.46 0.00 -0.26 0.00 0.00 64.21 64.03 3dj4 n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dj4 n ALA 99 N -1.63 2.55 -2.77 7.33 0.00 -0.92 -4.84 120.51 120.23 3dj4 n ALA 99 Ca 0.01 -0.49 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 3dj4 n ALA 99 Cb 0.12 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 3dj4 n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dj4 s LEU 100 N -1.92 3.82 0.45 0.00 1.43 -0.63 -5.09 118.68 116.75 3dj4 s LEU 100 Ca 0.36 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.27 3dj4 s LEU 100 Cb 0.20 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 3dj4 s LEU 100 CO 0.32 0.21 1.07 -0.81 0.23 0.00 0.00 176.35 177.37 3dj4 n PRO 101 N 0.75 1.43 -0.19 1.29 -0.04 -1.26 -4.88 135.00 132.09 3dj4 n PRO 101 Ca -0.10 0.51 0.19 0.00 -0.04 0.00 0.00 63.50 64.06 3dj4 n PRO 101 Cb 0.52 -2.15 0.54 0.00 -0.04 0.00 0.00 33.50 32.37 3dj4 n PRO 101 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3dj4 h ASP 102 N 1.51 0.33 -0.44 3.54 3.32 -1.95 0.11 116.42 122.83 3dj4 h ASP 102 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3dj4 h ASP 102 Cb 1.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3dj4 h ASP 102 CO 0.57 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 3dj4 n ASP 103 N -4.46 3.57 -4.66 6.45 5.75 -1.26 -4.96 116.55 116.97 3dj4 n ASP 103 Ca 0.17 -2.36 -0.45 0.00 -0.01 0.00 0.00 54.79 52.14 3dj4 n ASP 103 Cb 0.66 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 3dj4 n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dj4 n TYR 104 N 0.66 2.00 0.00 2.11 9.36 0.37 -4.92 117.16 126.74 3dj4 n TYR 104 Ca 0.18 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.90 3dj4 n TYR 104 Cb 0.69 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 3dj4 n TYR 104 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3dj4 n ALA 105 N 1.53 1.57 -0.41 2.98 0.00 -1.26 -4.93 120.51 120.00 3dj4 n ALA 105 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 3dj4 n ALA 105 Cb 0.31 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.05 3dj4 n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dj4 s GLY 106 N -0.94 1.41 0.69 0.00 0.00 -1.26 -4.82 107.32 102.41 3dj4 s GLY 106 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 3dj4 s GLY 106 CO 0.00 0.14 1.06 -1.31 0.00 0.00 0.00 173.10 172.99 3dj4 s ASN 107 N -3.27 5.52 -0.18 1.64 0.01 -0.75 -4.05 114.94 113.86 3dj4 s ASN 107 Ca 0.69 1.48 0.00 0.00 -0.71 0.00 0.00 52.86 54.32 3dj4 s ASN 107 Cb -0.12 -2.38 0.04 0.00 0.41 0.00 0.00 41.25 39.20 3dj4 s ASN 107 CO 0.57 -1.33 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.04 3dj4 s VAL 108 N -3.13 1.50 -0.13 1.60 1.01 -0.84 -0.84 120.40 119.56 3dj4 s VAL 108 Ca 0.57 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3dj4 s VAL 108 Cb -0.13 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3dj4 s VAL 108 CO 0.54 0.23 0.10 -0.69 0.00 0.00 0.00 175.10 175.29 3dj4 s VAL 109 N 1.48 5.19 -0.08 2.92 1.01 -0.14 -0.88 120.40 129.90 3dj4 s VAL 109 Ca 0.01 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3dj4 s VAL 109 Cb -0.15 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.97 3dj4 s VAL 109 CO -0.09 0.58 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 3dj4 s VAL 110 N -0.68 1.42 0.16 2.92 1.01 -0.20 -0.52 120.40 124.50 3dj4 s VAL 110 Ca 0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3dj4 s VAL 110 Cb -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3dj4 s VAL 110 CO 0.02 0.42 0.09 0.28 0.00 0.00 0.00 175.10 175.91 3dj4 s THR 111 N 0.64 0.07 0.10 3.92 -1.32 -0.44 -0.96 115.64 117.66 3dj4 s THR 111 Ca -0.14 -1.93 -0.01 0.00 -1.21 0.00 0.00 61.69 58.40 3dj4 s THR 111 Cb -0.16 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 3dj4 s THR 111 CO 0.04 -0.30 0.27 -0.44 -2.21 0.00 0.00 174.62 171.98 3dj4 s SER 112 N -3.08 6.39 0.00 8.08 0.01 -1.26 -1.07 113.70 122.77 3dj4 s SER 112 Ca 0.29 0.35 0.22 0.00 1.31 0.00 0.00 55.95 58.12 3dj4 s SER 112 Cb 0.07 -1.99 1.06 0.00 0.21 0.00 0.00 66.02 65.37 3dj4 s SER 112 CO 0.05 0.11 1.72 0.61 0.41 0.00 0.00 173.24 176.14 3dj4 n GLY 113 N 0.09 -1.10 1.29 3.44 0.00 -0.46 -3.68 105.19 104.76 3dj4 n GLY 113 Ca -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3dj4 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dj4 n ASP 114 N -1.36 4.41 -3.91 1.61 5.75 -1.26 -4.19 116.55 117.60 3dj4 n ASP 114 Ca 0.09 -3.06 -0.32 0.00 -0.01 0.00 0.00 54.79 51.48 3dj4 n ASP 114 Cb 0.20 -0.61 -0.08 0.00 -1.03 0.00 0.00 41.12 39.61 3dj4 n ASP 114 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3dj4 n THR 115 N -0.21 2.64 0.53 2.12 -1.04 -1.24 -1.24 114.28 115.84 3dj4 n THR 115 Ca 0.26 -5.12 0.12 0.00 -2.04 0.00 0.00 64.05 57.27 3dj4 n THR 115 Cb 1.04 -2.25 0.45 0.00 -1.82 0.00 0.00 70.33 67.75 3dj4 n THR 115 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3dj4 n PRO 116 N 1.85 0.20 -0.04 -2.82 -0.04 -1.26 -3.52 135.00 129.36 3dj4 n PRO 116 Ca 0.23 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3dj4 n PRO 116 Cb 0.37 -1.80 0.34 0.00 -0.04 0.00 0.00 33.50 32.37 3dj4 n PRO 116 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dj4 n LEU 117 N -2.15 2.19 -4.74 1.53 4.32 -1.26 -4.48 117.00 112.40 3dj4 n LEU 117 Ca 0.04 -0.80 -0.42 0.00 -0.02 0.00 0.00 56.01 54.82 3dj4 n LEU 117 Cb 0.31 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 3dj4 n LEU 117 CO 0.24 0.40 1.20 -0.22 -1.22 0.00 0.00 177.39 177.79 3dj4 s LEU 118 N -1.86 4.37 0.32 2.23 2.96 -0.98 -4.68 118.68 121.05 3dj4 s LEU 118 Ca 0.34 2.75 0.10 0.00 -0.22 0.00 0.00 54.13 57.11 3dj4 s LEU 118 Cb 0.20 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.22 3dj4 s LEU 118 CO 0.31 -0.82 -0.13 1.51 -1.32 0.00 0.00 176.35 175.91 3dj4 s ASP 119 N 0.68 3.70 0.21 3.68 -4.77 -1.26 -4.75 116.67 114.15 3dj4 s ASP 119 Ca 0.65 -1.14 -0.14 0.00 -3.30 0.00 0.00 52.55 48.62 3dj4 s ASP 119 Cb -0.45 -0.34 0.22 0.00 -1.09 0.00 0.00 42.92 41.26 3dj4 s ASP 119 CO 0.40 -0.13 1.63 0.00 0.70 0.00 0.00 175.17 177.77 3dj4 h ALA 120 N 2.09 0.39 -0.14 2.11 0.00 -1.94 -2.42 119.26 119.35 3dj4 h ALA 120 Ca -0.41 0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dj4 h ALA 120 Cb 1.25 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3dj4 h ALA 120 CO 0.67 -0.43 -0.15 -0.44 0.00 0.00 0.00 179.25 178.90 3dj4 h ASP 121 N -0.00 -0.47 -0.85 0.00 3.32 -1.96 0.20 116.42 116.66 3dj4 h ASP 121 Ca 0.29 0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.60 3dj4 h ASP 121 Cb 0.45 0.23 -0.11 0.00 0.22 0.00 0.00 39.33 40.12 3dj4 h ASP 121 CO -0.63 -0.19 0.40 0.74 -1.72 0.00 0.00 179.24 177.83 3dj4 h THR 122 N -0.18 0.62 -0.47 0.35 2.02 -1.92 -0.57 112.91 112.76 3dj4 h THR 122 Ca 0.10 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 3dj4 h THR 122 Cb 0.32 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3dj4 h THR 122 CO -0.25 0.09 -0.22 -0.07 0.37 0.00 0.00 175.52 175.44 3dj4 h LEU 123 N 0.51 1.00 -0.74 2.58 3.38 -0.63 -2.66 115.31 118.75 3dj4 h LEU 123 Ca 0.49 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3dj4 h LEU 123 Cb 0.80 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dj4 h LEU 123 CO -0.43 1.17 -0.46 0.00 0.09 0.00 0.00 178.44 178.81 3dj4 h ALA 124 N 0.90 0.92 0.00 1.53 0.00 -0.13 -2.61 119.26 119.86 3dj4 h ALA 124 Ca 0.11 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3dj4 h ALA 124 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3dj4 h ALA 124 CO 0.07 0.65 -0.60 -0.44 0.00 0.00 0.00 179.25 178.92 3dj4 h ASP 125 N 0.32 0.00 0.17 0.00 3.32 -1.08 -2.45 116.42 116.70 3dj4 h ASP 125 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3dj4 h ASP 125 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3dj4 h ASP 125 CO 0.08 0.60 -0.08 0.25 -1.72 0.00 0.00 179.24 178.37 3dj4 h LEU 126 N 0.00 -0.20 -0.89 1.55 5.85 -1.32 -0.38 115.31 119.92 3dj4 h LEU 126 Ca -0.01 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.60 3dj4 h LEU 126 Cb 1.12 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3dj4 h LEU 126 CO 0.08 0.07 0.55 0.40 -0.34 0.00 0.00 178.44 179.20 3dj4 h ILE 127 N -0.47 1.04 -0.22 4.05 2.04 -1.43 -1.40 117.51 121.11 3dj4 h ILE 127 Ca -0.02 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3dj4 h ILE 127 Cb 0.36 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3dj4 h ILE 127 CO 0.04 0.18 -0.08 0.00 0.00 0.00 0.00 178.15 178.29 3dj4 h ALA 128 N 1.42 0.31 -0.50 1.87 0.00 -1.40 -1.59 119.26 119.37 3dj4 h ALA 128 Ca 0.39 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3dj4 h ALA 128 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3dj4 h ALA 128 CO -0.18 0.12 0.34 1.15 0.00 0.00 0.00 179.25 180.68 3dj4 h THR 129 N 0.16 0.92 0.04 0.00 2.02 -0.92 0.38 112.91 115.50 3dj4 h THR 129 Ca 0.05 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 3dj4 h THR 129 Cb 0.55 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3dj4 h THR 129 CO 0.03 0.06 -0.30 -0.74 0.37 0.00 0.00 175.52 174.94 3dj4 h HIS 130 N 0.34 0.23 -0.25 3.16 6.17 -0.80 -2.25 115.15 121.75 3dj4 h HIS 130 Ca 0.23 -0.15 0.05 0.00 0.71 0.00 0.00 60.37 61.20 3dj4 h HIS 130 Cb 0.46 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.32 3dj4 h HIS 130 CO -0.00 1.05 -0.05 0.00 0.71 0.00 0.00 177.93 179.64 3dj4 h ARG 131 N -0.66 0.01 -0.80 5.26 3.08 -1.37 -2.37 114.38 117.54 3dj4 h ARG 131 Ca -0.05 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.07 3dj4 h ARG 131 Cb 1.16 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 3dj4 h ARG 131 CO 0.06 0.01 0.48 0.00 -1.07 0.00 0.00 179.97 179.44 3dj4 h ALA 132 N 1.24 1.10 -0.15 0.04 0.00 -0.84 -2.63 119.26 118.03 3dj4 h ALA 132 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dj4 h ALA 132 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dj4 h ALA 132 CO -0.24 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.52 3dj4 n VAL 133 N -4.69 0.17 -3.50 0.00 0.24 -0.86 -5.00 118.33 104.70 3dj4 n VAL 133 Ca 0.11 -0.52 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 3dj4 n VAL 133 Cb 0.19 1.11 0.01 0.00 -1.47 0.00 0.00 33.84 33.68 3dj4 n VAL 133 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dj4 n SER 134 N 1.14 -4.09 -4.93 -1.34 7.64 -0.99 -4.97 113.62 106.08 3dj4 n SER 134 Ca 0.16 -0.69 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 3dj4 n SER 134 Cb 0.54 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 3dj4 n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dj4 s ALA 135 N -2.52 3.89 0.05 -0.43 0.00 -0.92 -4.86 121.76 116.98 3dj4 s ALA 135 Ca 0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 3dj4 s ALA 135 Cb -0.01 -1.68 -0.32 0.00 0.00 0.00 0.00 23.12 21.11 3dj4 s ALA 135 CO 0.75 0.39 1.07 0.00 0.00 0.00 0.00 175.76 177.97 3dj4 h ALA 136 N 1.72 -0.04 -3.01 0.00 0.00 -0.64 -3.39 119.26 113.91 3dj4 h ALA 136 Ca -0.50 -0.86 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 3dj4 h ALA 136 Cb 1.21 0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.82 3dj4 h ALA 136 CO 0.64 0.82 -0.44 0.54 0.00 0.00 0.00 179.25 180.81 3dj4 s VAL 137 N -2.65 -0.03 -0.08 0.00 0.11 -1.10 -0.90 120.40 115.75 3dj4 s VAL 137 Ca -0.07 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 3dj4 s VAL 137 Cb 0.06 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3dj4 s VAL 137 CO 0.92 0.04 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.65 3dj4 s THR 138 N 0.90 2.57 -0.05 5.04 2.01 -0.26 -0.80 115.64 125.06 3dj4 s THR 138 Ca -0.06 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.12 3dj4 s THR 138 Cb -0.07 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 3dj4 s THR 138 CO -0.06 0.56 -0.19 0.54 -0.69 0.00 0.00 174.62 174.78 3dj4 s VAL 139 N -0.05 1.60 0.03 3.82 0.11 0.29 -1.02 120.40 125.18 3dj4 s VAL 139 Ca -0.05 -0.81 -0.29 0.00 -2.93 0.00 0.00 61.98 57.90 3dj4 s VAL 139 Cb -0.14 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 3dj4 s VAL 139 CO 0.04 0.45 0.95 -0.76 -3.33 0.00 0.00 175.10 172.46 3dj4 s LEU 140 N -0.03 4.41 0.17 2.54 1.43 -0.60 0.42 118.68 127.02 3dj4 s LEU 140 Ca -0.04 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.81 3dj4 s LEU 140 Cb -0.12 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3dj4 s LEU 140 CO 0.03 -0.18 -0.16 0.42 0.23 0.00 0.00 176.35 176.68 3dj4 s THR 141 N 0.66 1.70 0.32 5.49 -4.23 -0.92 -0.84 115.64 117.83 3dj4 s THR 141 Ca 0.49 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3dj4 s THR 141 Cb -0.21 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 3dj4 s THR 141 CO 0.28 -0.43 0.19 0.28 -0.54 0.00 0.00 174.62 174.40 3dj4 s THR 142 N -2.39 0.24 -0.02 3.99 -1.32 -1.04 -0.21 115.64 114.89 3dj4 s THR 142 Ca 0.17 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.72 3dj4 s THR 142 Cb -0.04 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.46 3dj4 s THR 142 CO 0.06 0.00 -0.25 0.28 -2.21 0.00 0.00 174.62 172.50 3dj4 s THR 143 N -3.52 1.96 -0.02 5.08 -1.32 -1.26 -0.27 115.64 116.30 3dj4 s THR 143 Ca 0.35 -1.06 -0.03 0.00 -1.21 0.00 0.00 61.69 59.75 3dj4 s THR 143 Cb 0.04 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 3dj4 s THR 143 CO 0.20 0.55 0.07 -0.76 -2.21 0.00 0.00 174.62 172.47 3dj4 s LEU 144 N -0.54 1.78 0.02 9.08 1.43 -0.48 -4.87 118.68 125.10 3dj4 s LEU 144 Ca 0.08 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 3dj4 s LEU 144 Cb -0.10 0.30 -0.16 0.00 0.03 0.00 0.00 46.19 46.26 3dj4 s LEU 144 CO -0.01 -0.12 1.35 0.44 0.23 0.00 0.00 176.35 178.24 3dj4 h ASP 145 N 5.54 0.23 -3.40 2.29 3.32 -2.01 -3.39 116.42 118.99 3dj4 h ASP 145 Ca -0.27 -0.44 -0.75 0.00 0.02 0.00 0.00 57.03 55.59 3dj4 h ASP 145 Cb 1.20 -0.06 -0.27 0.00 0.22 0.00 0.00 39.33 40.42 3dj4 h ASP 145 CO 0.44 0.62 -0.22 -0.62 -1.72 0.00 0.00 179.24 177.74 3dj4 s ASP 146 N -5.90 6.07 0.00 6.45 -1.08 -1.26 -4.99 116.67 115.97 3dj4 s ASP 146 Ca -0.15 -2.12 0.09 0.00 -0.52 0.00 0.00 52.55 49.86 3dj4 s ASP 146 Cb 0.04 -2.11 0.32 0.00 -1.46 0.00 0.00 42.92 39.71 3dj4 s ASP 146 CO 0.72 -0.70 1.24 -0.81 0.52 0.00 0.00 175.17 176.14 3dj4 n PRO 147 N 4.71 1.44 -1.85 4.34 -0.05 -1.26 -4.99 135.00 137.34 3dj4 n PRO 147 Ca -0.04 -0.69 -0.41 0.00 -0.05 0.00 0.00 63.50 62.31 3dj4 n PRO 147 Cb 0.42 -1.19 -0.02 0.00 -0.05 0.00 0.00 33.50 32.66 3dj4 n PRO 147 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 175.50 175.57 3dj4 s PHE 148 N -1.77 2.82 0.00 0.54 2.19 -1.26 -2.85 117.98 117.65 3dj4 s PHE 148 Ca 0.17 0.89 0.00 0.00 0.33 0.00 0.00 56.93 58.32 3dj4 s PHE 148 Cb 0.09 -3.99 0.00 0.00 -1.31 0.00 0.00 43.02 37.81 3dj4 s PHE 148 CO 0.12 -3.25 0.00 0.41 1.83 0.00 0.00 175.22 174.32 3dj4 n GLY 149 N 2.01 2.90 3.86 13.12 0.00 -1.26 -5.03 105.19 120.80 3dj4 n GLY 149 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3dj4 n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dj4 s TYR 150 N -1.97 3.42 0.15 1.61 2.02 -1.13 -4.64 117.35 116.80 3dj4 s TYR 150 Ca 0.00 1.10 -0.29 0.00 -0.37 0.00 0.00 57.07 57.51 3dj4 s TYR 150 Cb 0.00 -2.46 -0.07 0.00 -0.40 0.00 0.00 41.96 39.03 3dj4 s TYR 150 CO 0.00 0.03 0.90 0.20 -1.57 0.00 0.00 175.55 175.11 3dj4 s GLY 151 N -2.67 3.00 -0.04 0.71 0.00 -1.26 -3.65 107.32 103.40 3dj4 s GLY 151 Ca 0.52 0.51 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 3dj4 s GLY 151 CO 0.24 1.23 0.54 0.50 0.00 0.00 0.00 173.10 175.61 3dj4 s ARG 152 N -0.55 4.28 -0.20 2.90 1.81 0.33 -1.08 118.95 126.44 3dj4 s ARG 152 Ca 0.42 0.62 -0.29 0.00 -1.72 0.00 0.00 55.73 54.76 3dj4 s ARG 152 Cb -0.24 -3.36 -0.02 0.00 -0.45 0.00 0.00 34.95 30.88 3dj4 s ARG 152 CO 0.29 0.34 1.51 0.42 -0.68 0.00 0.00 175.30 177.18 3dj4 s ILE 153 N -0.03 3.85 -0.23 1.52 -1.09 -0.56 -1.41 121.20 123.25 3dj4 s ILE 153 Ca 0.29 0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 59.54 3dj4 s ILE 153 Cb -0.17 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3dj4 s ILE 153 CO 0.15 -0.27 0.32 -0.76 -1.23 0.00 0.00 174.94 173.15 3dj4 s LEU 154 N 4.63 4.11 0.02 2.97 1.43 -0.86 -4.85 118.68 126.11 3dj4 s LEU 154 Ca 0.66 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 3dj4 s LEU 154 Cb -0.24 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 3dj4 s LEU 154 CO 0.26 -0.07 -0.09 -0.13 0.23 0.00 0.00 176.35 176.55 3dj4 s ARG 155 N 1.47 2.45 0.19 1.70 0.52 -1.26 -0.13 118.95 123.90 3dj4 s ARG 155 Ca 0.15 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 3dj4 s ARG 155 Cb -0.15 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 32.93 3dj4 s ARG 155 CO 0.08 0.59 0.12 0.25 0.02 0.00 0.00 175.30 176.35 3dj4 n THR 156 N 1.50 0.00 0.31 0.02 -2.24 0.41 -4.80 114.28 109.48 3dj4 n THR 156 Ca -0.15 -0.01 0.16 0.00 -2.27 0.00 0.00 64.05 61.77 3dj4 n THR 156 Cb 0.52 -0.34 0.72 0.00 -2.10 0.00 0.00 70.33 69.13 3dj4 n THR 156 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3dj4 h GLN 157 N 0.00 0.00 -0.45 -0.78 4.20 -2.01 -2.97 115.11 113.09 3dj4 h GLN 157 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dj4 h GLN 157 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3dj4 h GLN 157 CO 0.03 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.72 3dj4 n ASP 158 N -2.68 4.21 -2.83 1.46 2.03 -1.26 -4.93 116.55 112.55 3dj4 n ASP 158 Ca -0.00 -2.59 -0.22 0.00 0.52 0.00 0.00 54.79 52.50 3dj4 n ASP 158 Cb 0.19 -0.51 0.02 0.00 -0.72 0.00 0.00 41.12 40.10 3dj4 n ASP 158 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3dj4 n HIS 159 N 0.42 -1.65 -3.49 -0.67 8.25 -1.12 -5.01 115.22 111.94 3dj4 n HIS 159 Ca 0.22 0.34 -0.38 0.00 -0.26 0.00 0.00 57.72 57.64 3dj4 n HIS 159 Cb 0.83 -4.22 -0.06 0.00 1.12 0.00 0.00 29.99 27.66 3dj4 n HIS 159 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3dj4 s GLU 160 N -5.50 4.04 -0.03 -0.41 2.02 -1.26 -4.80 118.70 112.76 3dj4 s GLU 160 Ca 0.21 0.34 -0.30 0.00 0.02 0.00 0.00 54.97 55.24 3dj4 s GLU 160 Cb -0.09 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 3dj4 s GLU 160 CO 0.26 0.51 1.64 0.08 0.02 0.00 0.00 175.26 177.77 3dj4 s VAL 161 N -0.48 3.50 -0.19 2.63 1.01 -1.26 0.16 120.40 125.77 3dj4 s VAL 161 Ca 0.23 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 62.72 3dj4 s VAL 161 Cb -0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 3dj4 s VAL 161 CO 0.11 -0.05 0.07 0.23 0.00 0.00 0.00 175.10 175.46 3dj4 n MET 162 N 6.77 0.52 -3.52 2.72 2.81 0.82 -4.84 117.12 122.41 3dj4 n MET 162 Ca 0.17 0.56 -0.11 0.00 -1.81 0.00 0.00 57.70 56.50 3dj4 n MET 162 Cb 0.42 -1.73 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3dj4 n MET 162 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dj4 s ALA 163 N -2.50 -1.35 -0.13 3.04 0.00 -1.17 -3.73 121.76 115.91 3dj4 s ALA 163 Ca -0.24 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 3dj4 s ALA 163 Cb 0.05 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 3dj4 s ALA 163 CO 0.46 -0.75 -0.03 0.42 0.00 0.00 0.00 175.76 175.86 3dj4 s ILE 164 N -3.78 3.96 -0.18 0.00 1.01 -1.26 -2.04 121.20 118.91 3dj4 s ILE 164 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 3dj4 s ILE 164 Cb -0.00 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.76 3dj4 s ILE 164 CO -0.11 0.53 -0.11 0.54 0.00 0.00 0.00 174.94 175.79 3dj4 s VAL 165 N -0.05 2.96 0.52 2.92 0.11 -0.50 -4.73 120.40 121.62 3dj4 s VAL 165 Ca 0.02 -0.65 -0.22 0.00 -2.93 0.00 0.00 61.98 58.20 3dj4 s VAL 165 Cb -0.13 -2.29 -0.06 0.00 -1.53 0.00 0.00 36.38 32.37 3dj4 s VAL 165 CO 0.02 0.48 1.25 -1.61 -3.33 0.00 0.00 175.10 171.92 3dj4 s GLU 166 N 1.06 3.38 0.22 1.54 0.41 -1.26 -0.52 118.70 123.53 3dj4 s GLU 166 Ca -0.00 1.96 -0.17 0.00 -0.41 0.00 0.00 54.97 56.36 3dj4 s GLU 166 Cb -0.15 -2.26 0.23 0.00 -1.78 0.00 0.00 34.13 30.17 3dj4 s GLU 166 CO -0.02 -0.92 1.58 0.37 -0.49 0.00 0.00 175.26 175.78 3dj4 h GLN 167 N 1.61 -0.07 -0.12 1.61 5.75 -1.82 -1.55 115.11 120.52 3dj4 h GLN 167 Ca -0.50 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.04 3dj4 h GLN 167 Cb 1.28 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.84 3dj4 h GLN 167 CO 0.58 -0.04 0.09 1.79 -2.65 0.00 0.00 178.83 178.60 3dj4 h THR 168 N -0.07 0.86 -0.74 2.39 1.35 -1.93 -3.45 112.91 111.32 3dj4 h THR 168 Ca 0.31 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.65 3dj4 h THR 168 Cb 0.58 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3dj4 h THR 168 CO -0.81 0.00 -0.20 -1.81 -0.25 0.00 0.00 175.52 172.46 3dj4 s ASP 169 N -6.70 4.92 0.00 5.36 1.01 -0.58 -4.82 116.67 115.85 3dj4 s ASP 169 Ca -0.05 -0.99 0.00 0.00 0.71 0.00 0.00 52.55 52.22 3dj4 s ASP 169 Cb 0.17 0.29 0.00 0.00 1.01 0.00 0.00 42.92 44.39 3dj4 s ASP 169 CO 0.66 -1.20 0.00 0.00 0.21 0.00 0.00 175.17 174.84 3dj4 n ALA 170 N -2.01 0.00 -4.02 5.23 0.00 -1.26 -4.69 120.51 113.75 3dj4 n ALA 170 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 3dj4 n ALA 170 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 3dj4 n ALA 170 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dj4 n THR 171 N 0.00 -2.67 0.00 0.00 -2.24 -1.26 -4.90 114.28 103.21 3dj4 n THR 171 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3dj4 n THR 171 Cb 0.00 -2.34 0.00 0.00 -2.10 0.00 0.00 70.33 65.89 3dj4 n THR 171 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3dj4 n PRO 172 N -4.44 0.00 -0.03 -0.78 -0.02 -1.26 -2.13 135.00 126.35 3dj4 n PRO 172 Ca -0.32 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.07 3dj4 n PRO 172 Cb 0.69 -0.35 -0.03 0.00 -0.02 0.00 0.00 33.50 33.78 3dj4 n PRO 172 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dj4 h SER 173 N 0.00 -0.09 -0.24 2.55 4.64 -2.00 -3.35 113.55 115.07 3dj4 h SER 173 Ca 0.00 0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 3dj4 h SER 173 Cb 0.00 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3dj4 h SER 173 CO 0.00 -0.02 0.68 1.67 -0.87 0.00 0.00 176.83 178.29 3dj4 n GLN 174 N -5.14 0.83 0.00 4.77 7.27 -1.08 -3.85 117.38 120.17 3dj4 n GLN 174 Ca -0.03 -2.01 0.00 0.00 0.07 0.00 0.00 57.00 55.03 3dj4 n GLN 174 Cb 0.10 -3.72 0.00 0.00 2.41 0.00 0.00 30.24 29.03 3dj4 n GLN 174 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3dj4 n ARG 175 N 8.13 3.29 0.12 3.69 1.74 -0.90 -4.07 116.66 128.65 3dj4 n ARG 175 Ca 0.44 -0.20 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 3dj4 n ARG 175 Cb 0.46 -0.68 0.20 0.00 -1.02 0.00 0.00 32.46 31.41 3dj4 n ARG 175 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dj4 n GLU 176 N -0.53 0.05 -1.90 5.56 -0.58 -1.25 -4.68 120.64 117.32 3dj4 n GLU 176 Ca 0.00 0.46 -0.41 0.00 -0.42 0.00 0.00 57.16 56.79 3dj4 n GLU 176 Cb 0.01 -2.04 -0.01 0.00 -0.57 0.00 0.00 31.44 28.82 3dj4 n GLU 176 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3dj4 s ILE 177 N -3.03 2.29 -0.29 -3.67 1.01 -1.26 -4.93 121.20 111.32 3dj4 s ILE 177 Ca -0.01 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.96 3dj4 s ILE 177 Cb 0.02 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3dj4 s ILE 177 CO 0.07 0.06 0.28 0.54 0.00 0.00 0.00 174.94 175.88 3dj4 n ARG 178 N 1.19 4.42 -2.89 2.79 1.74 -1.26 -4.79 116.66 117.87 3dj4 n ARG 178 Ca 0.03 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 3dj4 n ARG 178 Cb 0.40 -0.78 -0.04 0.00 -1.02 0.00 0.00 32.46 31.01 3dj4 n ARG 178 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3dj4 s GLU 179 N -1.23 4.06 0.28 5.56 2.12 -1.26 -1.38 118.70 126.85 3dj4 s GLU 179 Ca 0.02 0.78 0.11 0.00 0.36 0.00 0.00 54.97 56.24 3dj4 s GLU 179 Cb 0.04 -3.70 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 3dj4 s GLU 179 CO 0.16 -0.64 -0.09 0.14 -0.54 0.00 0.00 175.26 174.29 3dj4 s VAL 180 N 3.00 2.99 -0.18 3.70 -7.23 0.63 -1.49 120.40 121.81 3dj4 s VAL 180 Ca 0.35 -2.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.18 3dj4 s VAL 180 Cb -0.14 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 3dj4 s VAL 180 CO 0.11 -0.37 0.66 0.21 -0.31 0.00 0.00 175.10 175.40 3dj4 s ASN 181 N -3.61 6.76 0.41 4.85 2.47 -0.24 -2.48 114.94 123.09 3dj4 s ASN 181 Ca 0.31 0.92 0.21 0.00 0.42 0.00 0.00 52.86 54.72 3dj4 s ASN 181 Cb -0.05 -2.37 0.76 0.00 -1.45 0.00 0.00 41.25 38.13 3dj4 s ASN 181 CO 0.18 -0.27 1.76 0.00 -3.72 0.00 0.00 177.10 175.05 3dj4 h ALA 182 N 7.37 0.98 0.00 1.71 0.00 -1.29 -3.42 119.26 124.60 3dj4 h ALA 182 Ca -0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3dj4 h ALA 182 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dj4 h ALA 182 CO 0.78 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3dj4 n GLY 183 N 0.29 0.41 2.95 0.00 0.00 -1.26 -4.90 105.19 102.68 3dj4 n GLY 183 Ca 0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 3dj4 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dj4 s VAL 184 N -2.00 1.22 0.06 1.61 1.01 -1.26 -4.10 120.40 116.95 3dj4 s VAL 184 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3dj4 s VAL 184 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3dj4 s VAL 184 CO 0.00 0.40 -0.08 -0.31 0.00 0.00 0.00 175.10 175.11 3dj4 s TYR 185 N 1.56 0.79 -0.01 5.22 1.51 -0.13 -1.56 117.35 124.74 3dj4 s TYR 185 Ca 0.04 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3dj4 s TYR 185 Cb -0.13 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3dj4 s TYR 185 CO -0.08 -0.08 -0.11 0.00 -1.11 0.00 0.00 175.55 174.16 3dj4 s ALA 186 N -1.96 2.82 0.01 3.71 0.00 -0.19 -1.04 121.76 125.12 3dj4 s ALA 186 Ca -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3dj4 s ALA 186 Cb -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3dj4 s ALA 186 CO -0.01 0.58 -0.06 -0.06 0.00 0.00 0.00 175.76 176.22 3dj4 s PHE 187 N -0.89 0.53 0.16 0.00 0.40 -0.06 -1.10 117.98 117.01 3dj4 s PHE 187 Ca 0.15 -0.21 -0.31 0.00 -0.60 0.00 0.00 56.93 55.96 3dj4 s PHE 187 Cb -0.11 -0.33 -0.09 0.00 0.51 0.00 0.00 43.02 43.00 3dj4 s PHE 187 CO 0.05 -0.03 1.49 0.34 0.70 0.00 0.00 175.22 177.77 3dj4 s ASP 188 N -0.54 6.68 0.14 1.36 2.15 -0.08 -1.99 116.67 124.39 3dj4 s ASP 188 Ca -0.01 2.52 -0.18 0.00 0.43 0.00 0.00 52.55 55.31 3dj4 s ASP 188 Cb -0.04 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.00 3dj4 s ASP 188 CO -0.00 -0.75 1.72 -0.29 -0.17 0.00 0.00 175.17 175.68 3dj4 h ILE 189 N 4.03 0.82 -0.59 4.11 6.09 -1.88 0.27 117.51 130.37 3dj4 h ILE 189 Ca -0.43 -0.04 -0.10 0.00 -1.37 0.00 0.00 64.86 62.92 3dj4 h ILE 189 Cb 1.21 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 3dj4 h ILE 189 CO 0.88 0.02 -0.04 0.00 -3.07 0.00 0.00 178.15 175.94 3dj4 h ALA 190 N 1.23 0.80 0.00 0.18 0.00 -1.92 0.89 119.26 120.44 3dj4 h ALA 190 Ca 0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3dj4 h ALA 190 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dj4 h ALA 190 CO -0.21 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.45 3dj4 h ALA 191 N 0.97 1.50 -0.26 0.00 0.00 -1.87 -2.22 119.26 117.38 3dj4 h ALA 191 Ca 0.16 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3dj4 h ALA 191 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dj4 h ALA 191 CO 0.04 0.32 -0.42 1.25 0.00 0.00 0.00 179.25 180.44 3dj4 h LEU 192 N 0.00 0.82 -0.66 0.00 5.85 0.15 -2.26 115.31 119.21 3dj4 h LEU 192 Ca -0.00 -0.52 -0.10 0.00 0.84 0.00 0.00 57.88 58.10 3dj4 h LEU 192 Cb 0.47 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3dj4 h LEU 192 CO 0.03 1.18 -0.03 0.03 -0.34 0.00 0.00 178.44 179.32 3dj4 h ARG 193 N 0.49 1.01 0.10 1.25 3.08 -0.74 -2.81 114.38 116.76 3dj4 h ARG 193 Ca 0.02 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3dj4 h ARG 193 Cb 1.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3dj4 h ARG 193 CO 0.10 1.01 -0.05 1.03 -1.07 0.00 0.00 179.97 180.99 3dj4 h SER 194 N 0.92 -0.11 -0.37 7.04 0.87 -1.42 -2.70 113.55 117.77 3dj4 h SER 194 Ca 0.16 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3dj4 h SER 194 Cb 0.57 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3dj4 h SER 194 CO 0.03 0.11 0.01 0.00 -0.53 0.00 0.00 176.83 176.45 3dj4 h ALA 195 N 0.54 1.17 -0.19 6.23 0.00 -1.40 -3.05 119.26 122.56 3dj4 h ALA 195 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3dj4 h ALA 195 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dj4 h ALA 195 CO 0.02 0.54 -0.30 -0.07 0.00 0.00 0.00 179.25 179.44 3dj4 h LEU 196 N 0.69 0.37 -0.41 0.00 3.38 -1.50 -2.42 115.31 115.43 3dj4 h LEU 196 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dj4 h LEU 196 Cb 0.41 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3dj4 h LEU 196 CO 0.02 0.67 0.00 -1.54 0.09 0.00 0.00 178.44 177.67 3dj4 n SER 197 N -4.10 0.34 -0.97 -0.43 3.41 -1.02 -2.94 113.62 107.91 3dj4 n SER 197 Ca -0.01 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3dj4 n SER 197 Cb 0.42 -0.66 0.24 0.00 -0.26 0.00 0.00 64.21 63.95 3dj4 n SER 197 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dj4 n ARG 198 N -1.88 3.11 -2.65 4.33 1.74 -0.91 -5.00 116.66 115.39 3dj4 n ARG 198 Ca 0.02 -2.52 -0.41 0.00 -0.77 0.00 0.00 57.85 54.17 3dj4 n ARG 198 Cb 0.18 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 3dj4 n ARG 198 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dj4 s LEU 199 N -1.77 4.52 0.32 0.55 1.02 -1.15 -5.07 118.68 117.09 3dj4 s LEU 199 Ca 0.37 1.93 0.09 0.00 0.02 0.00 0.00 54.13 56.54 3dj4 s LEU 199 Cb 0.24 -3.60 -0.06 0.00 0.02 0.00 0.00 46.19 42.79 3dj4 s LEU 199 CO 0.16 -0.09 -0.09 -0.94 0.02 0.00 0.00 176.35 175.41 3dj4 s SER 200 N -0.22 3.38 -0.22 2.29 1.04 -1.26 -5.07 113.70 113.64 3dj4 s SER 200 Ca 0.47 -1.18 0.14 0.00 0.48 0.00 0.00 55.95 55.86 3dj4 s SER 200 Cb -0.26 -0.28 0.50 0.00 0.10 0.00 0.00 66.02 66.07 3dj4 s SER 200 CO 0.32 -0.23 1.41 -1.54 0.98 0.00 0.00 173.24 174.19 3dj4 n SER 201 N -0.70 3.20 -4.55 7.02 3.41 -1.26 -4.58 113.62 116.16 3dj4 n SER 201 Ca -0.05 -3.31 -0.43 0.00 -0.26 0.00 0.00 58.87 54.82 3dj4 n SER 201 Cb 0.63 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3dj4 n SER 201 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dj4 s ASN 202 N -2.26 6.81 0.32 4.04 4.22 -1.26 -3.55 114.94 123.26 3dj4 s ASN 202 Ca 0.42 -2.36 -0.10 0.00 -2.14 0.00 0.00 52.86 48.68 3dj4 s ASN 202 Cb 0.36 -2.53 0.01 0.00 1.28 0.00 0.00 41.25 40.37 3dj4 s ASN 202 CO 0.05 -1.14 0.57 0.54 -2.04 0.00 0.00 177.10 175.08 3dj4 s ASN 203 N 4.06 0.27 0.47 3.54 2.20 -1.26 -4.98 114.94 119.24 3dj4 s ASN 203 Ca 0.49 -1.15 0.18 0.00 -0.94 0.00 0.00 52.86 51.44 3dj4 s ASN 203 Cb 0.02 0.69 1.18 0.00 -2.00 0.00 0.00 41.25 41.13 3dj4 s ASN 203 CO 0.02 -1.34 2.00 0.00 -2.94 0.00 0.00 177.10 174.84 3dj4 h ALA 204 N 2.12 2.18 0.00 3.54 0.00 -1.90 -0.03 119.26 125.17 3dj4 h ALA 204 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dj4 h ALA 204 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dj4 h ALA 204 CO 0.37 -0.31 -1.22 1.04 0.00 0.00 0.00 179.25 179.13 3dj4 n GLN 205 N -4.45 0.28 -3.30 0.00 6.02 -1.26 -4.99 117.38 109.68 3dj4 n GLN 205 Ca 0.09 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 3dj4 n GLN 205 Cb 0.43 -1.55 0.08 0.00 1.02 0.00 0.00 30.24 30.22 3dj4 n GLN 205 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3dj4 n GLN 206 N -1.88 -3.71 -4.12 -1.09 -0.06 -0.03 -5.03 117.38 101.46 3dj4 n GLN 206 Ca 0.01 0.86 -0.08 0.00 -2.00 0.00 0.00 57.00 55.79 3dj4 n GLN 206 Cb 0.43 -5.82 -0.10 0.00 -4.06 0.00 0.00 30.24 20.69 3dj4 n GLN 206 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3dj4 s GLU 207 N -4.71 0.71 -0.67 3.69 2.02 -1.23 -4.96 118.70 113.55 3dj4 s GLU 207 Ca 0.30 -1.28 -0.23 0.00 0.02 0.00 0.00 54.97 53.77 3dj4 s GLU 207 Cb -0.04 0.11 0.06 0.00 0.10 0.00 0.00 34.13 34.36 3dj4 s GLU 207 CO 0.73 -0.11 1.02 -0.51 0.02 0.00 0.00 175.26 176.41 3dj4 s LEU 208 N -2.97 4.15 0.02 1.80 1.43 -0.20 -4.31 118.68 118.60 3dj4 s LEU 208 Ca 0.11 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 3dj4 s LEU 208 Cb 0.07 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3dj4 s LEU 208 CO -0.07 -1.52 1.08 -0.31 0.23 0.00 0.00 176.35 175.76 3dj4 s TYR 209 N 4.38 3.54 0.52 0.29 2.02 -1.26 -1.45 117.35 125.40 3dj4 s TYR 209 Ca 0.25 1.51 0.20 0.00 -0.37 0.00 0.00 57.07 58.65 3dj4 s TYR 209 Cb -0.15 -3.26 1.38 0.00 -0.40 0.00 0.00 41.96 39.53 3dj4 s TYR 209 CO 0.11 -0.59 2.15 1.25 -1.57 0.00 0.00 175.55 176.90 3dj4 h LEU 210 N 6.92 0.00 -2.35 -1.29 5.85 -1.91 -3.10 115.31 119.43 3dj4 h LEU 210 Ca -0.40 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3dj4 h LEU 210 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3dj4 h LEU 210 CO 0.79 0.03 -0.00 0.71 -0.34 0.00 0.00 178.44 179.62 3dj4 h THR 211 N 0.00 0.64 0.00 1.05 1.35 -1.93 -2.82 112.91 111.20 3dj4 h THR 211 Ca -0.00 -0.01 -0.10 0.00 -0.55 0.00 0.00 66.41 65.75 3dj4 h THR 211 Cb 0.05 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3dj4 h THR 211 CO 0.00 0.00 -0.49 0.44 -0.25 0.00 0.00 175.52 175.23 3dj4 h ASP 212 N 0.00 0.00 -1.03 5.36 3.32 -1.83 -2.80 116.42 119.44 3dj4 h ASP 212 Ca -0.00 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.32 3dj4 h ASP 212 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 3dj4 h ASP 212 CO 0.00 0.49 0.68 0.58 -1.72 0.00 0.00 179.24 179.27 3dj4 h VAL 213 N 0.00 0.53 0.00 -1.35 2.07 -1.71 -1.87 116.25 113.92 3dj4 h VAL 213 Ca -0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3dj4 h VAL 213 Cb 0.87 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3dj4 h VAL 213 CO 0.06 0.06 -0.30 0.40 0.02 0.00 0.00 177.57 177.82 3dj4 h ILE 214 N 0.35 0.34 -0.20 4.57 1.08 -1.70 -1.24 117.51 120.70 3dj4 h ILE 214 Ca 0.57 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.98 3dj4 h ILE 214 Cb 1.54 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 3dj4 h ILE 214 CO -0.24 0.00 -0.16 0.00 -0.69 0.00 0.00 178.15 177.06 3dj4 h ALA 215 N 0.31 1.36 -0.09 1.87 0.00 -1.48 -2.35 119.26 118.88 3dj4 h ALA 215 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3dj4 h ALA 215 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dj4 h ALA 215 CO -0.25 0.44 -0.14 0.82 0.00 0.00 0.00 179.25 180.11 3dj4 h ILE 216 N 0.32 1.38 -0.28 0.00 2.04 -1.12 -2.16 117.51 117.69 3dj4 h ILE 216 Ca 0.06 -1.37 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 3dj4 h ILE 216 Cb 0.47 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 3dj4 h ILE 216 CO 0.03 0.39 -0.27 -0.07 0.00 0.00 0.00 178.15 178.23 3dj4 h LEU 217 N -0.18 0.58 -0.83 1.44 3.38 -1.27 -2.04 115.31 116.40 3dj4 h LEU 217 Ca 0.01 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 57.95 3dj4 h LEU 217 Cb 0.70 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 3dj4 h LEU 217 CO 0.03 0.83 0.32 0.03 0.09 0.00 0.00 178.44 179.74 3dj4 h ARG 218 N 0.49 0.38 -0.17 1.13 2.47 -1.44 0.71 114.38 117.95 3dj4 h ARG 218 Ca 0.07 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 3dj4 h ARG 218 Cb 0.73 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 3dj4 h ARG 218 CO 0.06 0.25 -0.11 0.77 0.56 0.00 0.00 179.97 181.50 3dj4 h SER 219 N 0.39 0.25 -0.56 7.04 0.02 -0.68 -1.45 113.55 118.56 3dj4 h SER 219 Ca 0.49 -0.05 -0.28 0.00 -0.84 0.00 0.00 61.79 61.11 3dj4 h SER 219 Cb 0.85 -0.07 -0.17 0.00 0.14 0.00 0.00 62.40 63.16 3dj4 h SER 219 CO -0.49 0.39 0.36 0.47 -1.14 0.00 0.00 176.83 176.42 3dj4 n ASP 220 N -4.28 3.45 -3.76 3.07 8.00 -1.02 -4.88 116.55 117.13 3dj4 n ASP 220 Ca -0.00 -2.91 -0.30 0.00 0.71 0.00 0.00 54.79 52.29 3dj4 n ASP 220 Cb 0.26 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 3dj4 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dj4 n GLY 221 N -0.40 -0.25 3.91 0.44 0.00 -0.55 -4.92 105.19 103.42 3dj4 n GLY 221 Ca 0.34 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 3dj4 n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dj4 s GLN 222 N -5.71 2.55 -0.28 1.61 -1.52 0.21 -5.01 119.66 111.51 3dj4 s GLN 222 Ca 0.50 0.01 -0.25 0.00 -1.95 0.00 0.00 55.36 53.68 3dj4 s GLN 222 Cb -0.29 -2.15 -0.00 0.00 -0.22 0.00 0.00 33.01 30.35 3dj4 s GLN 222 CO 0.75 -1.05 0.84 0.99 -0.25 0.00 0.00 175.29 176.57 3dj4 s THR 223 N -3.22 4.78 -0.30 -0.19 2.01 -1.26 -4.49 115.64 112.97 3dj4 s THR 223 Ca 0.58 1.44 -0.04 0.00 0.31 0.00 0.00 61.69 63.97 3dj4 s THR 223 Cb -0.11 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.28 3dj4 s THR 223 CO 0.47 -0.19 0.04 -0.69 -0.69 0.00 0.00 174.62 173.56 3dj4 s VAL 224 N 2.98 3.41 -0.21 3.82 1.01 -1.26 0.16 120.40 130.30 3dj4 s VAL 224 Ca 0.35 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3dj4 s VAL 224 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3dj4 s VAL 224 CO 0.10 -0.04 0.02 -2.28 0.00 0.00 0.00 175.10 172.90 3dj4 s HIS 225 N 1.36 3.07 -0.13 5.22 2.46 0.02 -4.73 115.29 122.55 3dj4 s HIS 225 Ca -0.02 -0.42 -0.10 0.00 0.47 0.00 0.00 55.06 54.99 3dj4 s HIS 225 Cb -0.19 -2.13 -0.05 0.00 -0.13 0.00 0.00 32.58 30.09 3dj4 s HIS 225 CO 0.00 -0.25 0.20 0.00 -2.47 0.00 0.00 174.74 172.21 3dj4 s ALA 226 N 1.15 3.76 -0.27 1.58 0.00 -1.26 -0.55 121.76 126.17 3dj4 s ALA 226 Ca 0.03 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3dj4 s ALA 226 Cb -0.14 -2.15 0.07 0.00 0.00 0.00 0.00 23.12 20.89 3dj4 s ALA 226 CO 0.02 0.38 -0.08 0.45 0.00 0.00 0.00 175.76 176.53 3dj4 s SER 227 N -0.39 4.50 0.02 0.00 0.15 0.17 -4.90 113.70 113.25 3dj4 s SER 227 Ca 0.14 -1.53 -0.30 0.00 0.70 0.00 0.00 55.95 54.96 3dj4 s SER 227 Cb -0.12 -1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.56 3dj4 s SER 227 CO 0.03 -0.22 1.38 -2.28 1.20 0.00 0.00 173.24 173.35 3dj4 s HIS 228 N 1.07 2.97 -0.42 3.44 2.46 -1.26 -2.16 115.29 121.38 3dj4 s HIS 228 Ca -0.05 0.89 -0.13 0.00 0.47 0.00 0.00 55.06 56.23 3dj4 s HIS 228 Cb -0.20 -3.64 0.05 0.00 -0.13 0.00 0.00 32.58 28.66 3dj4 s HIS 228 CO -0.06 -2.31 0.30 0.08 -2.47 0.00 0.00 174.74 170.28 3dj4 s VAL 229 N 2.08 4.88 0.13 0.89 1.01 0.71 -4.91 120.40 125.20 3dj4 s VAL 229 Ca 0.63 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 3dj4 s VAL 229 Cb -0.32 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 3dj4 s VAL 229 CO 0.27 -0.41 1.74 0.44 0.00 0.00 0.00 175.10 177.15 3dj4 h ASP 230 N 8.58 0.44 -0.90 3.32 3.32 -1.95 -3.35 116.42 125.88 3dj4 h ASP 230 Ca -0.26 -0.08 -0.46 0.00 0.02 0.00 0.00 57.03 56.25 3dj4 h ASP 230 Cb 1.11 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 3dj4 h ASP 230 CO 0.76 0.40 1.18 -0.62 -1.72 0.00 0.00 179.24 179.24 3dj4 s ASP 231 N -5.64 5.86 0.51 6.45 2.15 -1.26 -4.77 116.67 119.96 3dj4 s ASP 231 Ca -0.13 -1.17 0.28 0.00 0.43 0.00 0.00 52.55 51.97 3dj4 s ASP 231 Cb 0.10 -2.57 1.40 0.00 -0.30 0.00 0.00 42.92 41.55 3dj4 s ASP 231 CO 0.73 -2.11 1.89 0.28 -0.17 0.00 0.00 175.17 175.79 3dj4 h SER 232 N 10.35 0.08 0.29 -0.34 0.02 -1.90 -2.51 113.55 119.54 3dj4 h SER 232 Ca 0.17 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3dj4 h SER 232 Cb 1.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3dj4 h SER 232 CO 1.33 0.03 -0.20 0.00 -1.14 0.00 0.00 176.83 176.84 3dj4 h ALA 233 N 1.58 1.49 0.00 3.77 0.00 -1.93 -2.52 119.26 121.65 3dj4 h ALA 233 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3dj4 h ALA 233 Cb 1.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3dj4 h ALA 233 CO -0.04 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.39 3dj4 h LEU 234 N 0.00 0.00 -2.56 0.00 3.38 -1.72 -3.02 115.31 111.39 3dj4 h LEU 234 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3dj4 h LEU 234 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3dj4 h LEU 234 CO 0.03 0.00 -0.36 1.33 0.09 0.00 0.00 178.44 179.53 3dj4 n VAL 235 N -2.42 0.92 -2.87 1.22 0.24 -0.96 -2.32 118.33 112.13 3dj4 n VAL 235 Ca 0.00 -1.24 -0.39 0.00 -2.04 0.00 0.00 64.34 60.67 3dj4 n VAL 235 Cb 0.16 0.20 -0.06 0.00 -1.47 0.00 0.00 33.84 32.67 3dj4 n VAL 235 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dj4 s ALA 236 N -1.38 3.37 0.37 2.33 0.00 -1.14 -4.78 121.76 120.52 3dj4 s ALA 236 Ca 0.19 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 3dj4 s ALA 236 Cb 0.18 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3dj4 s ALA 236 CO -0.01 0.24 0.59 0.20 0.00 0.00 0.00 175.76 176.79 3dj4 s GLY 237 N -1.27 1.41 -0.29 0.00 0.00 -1.26 -4.29 107.32 101.61 3dj4 s GLY 237 Ca 0.41 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3dj4 s GLY 237 CO 0.28 -0.72 0.04 0.14 0.00 0.00 0.00 173.10 172.84 3dj4 s VAL 238 N -2.38 1.45 -0.58 1.40 1.01 -0.38 -4.86 120.40 116.06 3dj4 s VAL 238 Ca 0.42 -1.59 0.13 0.00 0.00 0.00 0.00 61.98 60.94 3dj4 s VAL 238 Cb -0.10 -1.97 -0.15 0.00 0.00 0.00 0.00 36.38 34.17 3dj4 s VAL 238 CO 0.37 -0.47 0.54 0.59 0.00 0.00 0.00 175.10 176.13 3dj4 n ASN 239 N 4.63 0.70 -3.99 3.32 3.02 -1.26 -4.90 115.26 116.79 3dj4 n ASN 239 Ca -0.03 -0.76 -0.10 0.00 -0.03 0.00 0.00 54.58 53.66 3dj4 n ASN 239 Cb 0.43 1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.57 3dj4 n ASN 239 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dj4 s ASN 240 N -2.32 -0.03 0.53 6.41 2.20 -1.26 -3.74 114.94 116.72 3dj4 s ASN 240 Ca 0.04 -0.92 0.31 0.00 -0.94 0.00 0.00 52.86 51.35 3dj4 s ASN 240 Cb 0.10 0.51 1.39 0.00 -2.00 0.00 0.00 41.25 41.25 3dj4 s ASN 240 CO 0.54 -1.02 2.01 0.03 -2.94 0.00 0.00 177.10 175.72 3dj4 h ARG 241 N 2.39 0.00 0.11 3.55 3.08 -1.86 -2.02 114.38 119.63 3dj4 h ARG 241 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3dj4 h ARG 241 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dj4 h ARG 241 CO 0.42 0.09 -0.05 0.28 -1.07 0.00 0.00 179.97 179.63 3dj4 h VAL 242 N 0.00 0.99 -0.51 2.04 2.07 -1.97 -2.52 116.25 116.34 3dj4 h VAL 242 Ca -0.00 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3dj4 h VAL 242 Cb 0.48 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3dj4 h VAL 242 CO 0.01 0.08 0.04 1.56 0.02 0.00 0.00 177.57 179.28 3dj4 h GLN 243 N -0.30 0.84 0.07 1.57 4.20 -1.91 -2.10 115.11 117.48 3dj4 h GLN 243 Ca -0.01 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.50 3dj4 h GLN 243 Cb 0.25 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3dj4 h GLN 243 CO 0.02 0.82 -0.17 1.25 -0.67 0.00 0.00 178.83 180.08 3dj4 h LEU 244 N 0.79 -0.49 -0.90 1.46 5.85 -1.38 -2.15 115.31 118.49 3dj4 h LEU 244 Ca 0.16 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3dj4 h LEU 244 Cb 0.42 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3dj4 h LEU 244 CO 0.01 -0.25 -0.14 0.00 -0.34 0.00 0.00 178.44 177.72 3dj4 h ALA 245 N 0.54 1.07 0.28 1.25 0.00 -1.38 -0.15 119.26 120.87 3dj4 h ALA 245 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dj4 h ALA 245 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dj4 h ALA 245 CO -0.12 0.57 -0.39 0.93 0.00 0.00 0.00 179.25 180.23 3dj4 h GLU 246 N 0.59 -0.68 -0.11 0.00 3.07 -1.31 -1.69 114.58 114.46 3dj4 h GLU 246 Ca 0.10 0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 3dj4 h GLU 246 Cb 0.59 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3dj4 h GLU 246 CO 0.04 -0.45 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.10 3dj4 h LEU 247 N -0.70 0.14 -0.93 1.33 3.38 -1.25 -0.94 115.31 116.33 3dj4 h LEU 247 Ca -0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3dj4 h LEU 247 Cb 0.64 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3dj4 h LEU 247 CO -0.11 0.19 0.22 0.00 0.09 0.00 0.00 178.44 178.83 3dj4 h ALA 248 N 1.83 1.14 -0.09 1.53 0.00 -0.83 -0.13 119.26 122.70 3dj4 h ALA 248 Ca 0.04 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 3dj4 h ALA 248 Cb 0.15 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dj4 h ALA 248 CO 0.01 0.60 -0.76 1.03 0.00 0.00 0.00 179.25 180.13 3dj4 h SER 249 N 0.97 0.82 -0.66 0.00 0.87 -0.26 0.04 113.55 115.33 3dj4 h SER 249 Ca 0.22 -0.67 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3dj4 h SER 249 Cb 0.26 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3dj4 h SER 249 CO -0.01 1.37 0.26 -0.08 -0.53 0.00 0.00 176.83 177.84 3dj4 h GLU 250 N 0.34 0.99 -0.71 2.24 4.57 -1.21 -1.67 114.58 119.14 3dj4 h GLU 250 Ca -0.07 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 3dj4 h GLU 250 Cb 1.40 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 3dj4 h GLU 250 CO 0.15 0.83 0.32 1.25 -1.18 0.00 0.00 179.01 180.39 3dj4 h LEU 251 N 0.94 0.94 -0.79 1.64 5.85 -0.93 -2.75 115.31 120.20 3dj4 h LEU 251 Ca 0.22 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3dj4 h LEU 251 Cb 0.21 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3dj4 h LEU 251 CO -0.02 0.82 0.48 -1.13 -0.34 0.00 0.00 178.44 178.26 3dj4 h ASN 252 N 0.99 0.77 -0.74 1.25 -1.24 -0.72 -2.01 115.58 113.88 3dj4 h ASN 252 Ca 0.24 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.30 3dj4 h ASN 252 Cb 0.15 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 3dj4 h ASN 252 CO -0.03 0.50 0.49 0.03 -1.29 0.00 0.00 177.43 177.13 3dj4 h ARG 253 N 0.90 0.86 0.18 6.67 3.08 -1.09 -0.82 114.38 124.16 3dj4 h ARG 253 Ca 0.34 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 60.03 3dj4 h ARG 253 Cb 0.13 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 30.01 3dj4 h ARG 253 CO -0.16 0.57 -1.34 0.00 -1.07 0.00 0.00 179.97 177.98 3dj4 h ARG 254 N 0.89 0.45 -0.34 0.04 3.08 -1.10 -1.52 114.38 115.87 3dj4 h ARG 254 Ca 0.30 -0.72 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 3dj4 h ARG 254 Cb 0.08 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3dj4 h ARG 254 CO -0.09 1.34 0.08 0.28 -1.07 0.00 0.00 179.97 180.51 3dj4 h VAL 255 N 0.14 1.22 -0.11 2.04 2.07 -1.17 -1.76 116.25 118.69 3dj4 h VAL 255 Ca -0.19 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.61 3dj4 h VAL 255 Cb 2.04 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 3dj4 h VAL 255 CO 0.24 0.26 -0.22 0.58 0.02 0.00 0.00 177.57 178.44 3dj4 h VAL 256 N 0.40 0.45 -0.99 2.57 2.07 -1.23 -2.67 116.25 116.86 3dj4 h VAL 256 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 3dj4 h VAL 256 Cb 0.30 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3dj4 h VAL 256 CO 0.00 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.23 3dj4 h ALA 257 N 0.66 1.37 -0.76 1.67 0.00 -1.15 -0.96 119.26 120.08 3dj4 h ALA 257 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dj4 h ALA 257 Cb 0.43 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3dj4 h ALA 257 CO -0.28 0.44 0.45 0.00 0.00 0.00 0.00 179.25 179.85 3dj4 h ALA 258 N 1.44 0.98 -0.35 0.00 0.00 -1.20 -1.66 119.26 118.46 3dj4 h ALA 258 Ca 0.42 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3dj4 h ALA 258 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dj4 h ALA 258 CO -0.17 0.46 -0.04 0.45 0.00 0.00 0.00 179.25 179.95 3dj4 h HIS 259 N 1.05 0.73 -0.27 0.00 3.86 -0.94 -2.75 115.15 116.82 3dj4 h HIS 259 Ca 0.27 -0.14 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 3dj4 h HIS 259 Cb -0.01 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 3dj4 h HIS 259 CO -0.01 0.79 0.01 1.96 0.86 0.00 0.00 177.93 181.55 3dj4 h GLN 260 N 0.46 0.10 0.00 2.45 4.20 -0.89 -2.44 115.11 118.98 3dj4 h GLN 260 Ca 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3dj4 h GLN 260 Cb 0.53 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3dj4 h GLN 260 CO 0.03 0.06 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.12 3dj4 h LEU 261 N 0.10 0.00 -0.84 1.46 3.38 -1.33 -2.32 115.31 115.76 3dj4 h LEU 261 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dj4 h LEU 261 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dj4 h LEU 261 CO -0.20 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.39 3dj4 n ALA 262 N -2.31 2.56 0.00 1.53 0.00 -0.96 -4.93 120.51 116.41 3dj4 n ALA 262 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3dj4 n ALA 262 Cb 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3dj4 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dj4 n GLY 263 N 1.09 1.67 3.34 0.00 0.00 -0.87 -4.69 105.19 105.73 3dj4 n GLY 263 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3dj4 n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dj4 s VAL 264 N -2.00 3.65 -0.33 1.61 1.01 -0.97 0.18 120.40 123.54 3dj4 s VAL 264 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 3dj4 s VAL 264 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3dj4 s VAL 264 CO 0.00 0.32 1.30 -0.89 0.00 0.00 0.00 175.10 175.82 3dj4 s THR 265 N 1.50 4.12 -0.38 3.92 2.01 -0.66 -3.80 115.64 122.35 3dj4 s THR 265 Ca 0.05 1.24 -0.05 0.00 0.31 0.00 0.00 61.69 63.24 3dj4 s THR 265 Cb -0.15 -4.21 0.08 0.00 0.01 0.00 0.00 72.50 68.22 3dj4 s THR 265 CO -0.01 -0.57 0.16 -0.69 -0.69 0.00 0.00 174.62 172.83 3dj4 s VAL 266 N 4.54 3.58 0.15 3.82 1.01 -1.26 -0.60 120.40 131.64 3dj4 s VAL 266 Ca 0.56 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 3dj4 s VAL 266 Cb -0.15 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3dj4 s VAL 266 CO 0.25 -0.43 1.74 0.58 0.00 0.00 0.00 175.10 177.24 3dj4 h VAL 267 N 6.27 0.87 -2.73 2.92 2.07 -1.68 -3.37 116.25 120.60 3dj4 h VAL 267 Ca -0.19 -0.07 -0.60 0.00 0.82 0.00 0.00 66.70 66.65 3dj4 h VAL 267 Cb 1.07 0.63 -0.40 0.00 -1.52 0.00 0.00 31.29 31.07 3dj4 h VAL 267 CO 0.67 0.04 -0.80 -0.62 0.02 0.00 0.00 177.57 176.88 3dj4 s ASP 268 N -5.33 3.01 0.32 0.57 2.15 -1.26 -5.01 116.67 111.12 3dj4 s ASP 268 Ca -0.13 -3.09 0.10 0.00 0.43 0.00 0.00 52.55 49.86 3dj4 s ASP 268 Cb 0.12 -0.90 0.92 0.00 -0.30 0.00 0.00 42.92 42.75 3dj4 s ASP 268 CO 0.71 -0.18 1.72 -0.65 -0.17 0.00 0.00 175.17 176.59 3dj4 h PRO 269 N 5.96 0.52 0.00 4.34 0.11 -1.92 -1.46 132.00 139.56 3dj4 h PRO 269 Ca 0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3dj4 h PRO 269 Cb 0.88 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3dj4 h PRO 269 CO 0.48 0.34 -0.04 0.00 -0.21 0.00 0.00 178.00 178.57 3dj4 h ALA 270 N 1.75 1.73 -0.31 -0.75 0.00 -1.97 -2.01 119.26 117.70 3dj4 h ALA 270 Ca 0.66 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.31 3dj4 h ALA 270 Cb 1.30 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 3dj4 h ALA 270 CO -0.50 0.05 -0.50 0.25 0.00 0.00 0.00 179.25 178.55 3dj4 n THR 271 N -4.20 2.40 -3.98 0.00 -2.24 -0.56 -4.91 114.28 100.79 3dj4 n THR 271 Ca -0.03 -3.47 -0.31 0.00 -2.27 0.00 0.00 64.05 57.97 3dj4 n THR 271 Cb 0.13 -0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 67.64 3dj4 n THR 271 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3dj4 s THR 272 N -3.71 1.78 -0.25 4.28 2.01 -0.76 -1.78 115.64 117.22 3dj4 s THR 272 Ca 0.44 -1.45 -0.16 0.00 0.31 0.00 0.00 61.69 60.83 3dj4 s THR 272 Cb 0.39 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3dj4 s THR 272 CO -0.02 -0.13 0.40 0.26 -0.69 0.00 0.00 174.62 174.43 3dj4 s TRP 273 N 1.27 3.29 -0.18 4.92 0.52 -0.39 -4.92 118.94 123.45 3dj4 s TRP 273 Ca -0.05 0.51 -0.00 0.00 0.02 0.00 0.00 56.10 56.57 3dj4 s TRP 273 Cb -0.19 -2.57 0.04 0.00 -1.15 0.00 0.00 33.47 29.60 3dj4 s TRP 273 CO -0.06 -0.16 -0.05 0.42 0.02 0.00 0.00 176.95 177.11 3dj4 s ILE 274 N 1.84 1.15 0.64 2.03 1.01 -1.26 -0.90 121.20 125.72 3dj4 s ILE 274 Ca 0.17 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 3dj4 s ILE 274 Cb -0.15 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3dj4 s ILE 274 CO 0.09 0.08 1.30 -1.81 0.00 0.00 0.00 174.94 174.61 3dj4 s ASP 275 N 1.60 4.61 -0.24 3.58 1.11 -0.68 -4.87 116.67 121.79 3dj4 s ASP 275 Ca -0.00 2.65 -0.29 0.00 0.18 0.00 0.00 52.55 55.08 3dj4 s ASP 275 Cb -0.16 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.20 3dj4 s ASP 275 CO -0.08 -2.01 1.44 0.68 1.18 0.00 0.00 175.17 176.39 3dj4 s VAL 276 N -1.38 3.96 0.00 -1.27 -7.23 -1.10 -2.66 120.40 110.72 3dj4 s VAL 276 Ca 0.82 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 62.09 3dj4 s VAL 276 Cb -0.38 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.64 3dj4 s VAL 276 CO 0.40 -0.33 0.00 0.47 -0.31 0.00 0.00 175.10 175.33 3dj4 n ASP 277 N 7.76 0.00 -4.68 4.85 9.92 -1.26 -4.97 116.55 128.18 3dj4 n ASP 277 Ca 0.16 0.00 -0.45 0.00 -0.53 0.00 0.00 54.79 53.98 3dj4 n ASP 277 Cb 0.46 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 3dj4 n ASP 277 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3dj4 n VAL 278 N 0.00 0.70 -4.43 2.53 0.31 -1.09 -4.75 118.33 111.60 3dj4 n VAL 278 Ca 0.00 -0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 63.85 3dj4 n VAL 278 Cb 0.00 -1.56 -0.11 0.00 -0.91 0.00 0.00 33.84 31.26 3dj4 n VAL 278 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dj4 s THR 279 N 0.21 3.28 -0.15 2.52 -4.23 -1.12 -5.01 115.64 111.14 3dj4 s THR 279 Ca 0.70 -1.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 3dj4 s THR 279 Cb -0.64 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 70.81 3dj4 s THR 279 CO 0.46 0.27 0.34 -0.63 -0.54 0.00 0.00 174.62 174.52 3dj4 s ILE 280 N -1.06 -0.20 0.51 2.99 1.01 -1.24 -0.80 121.20 122.41 3dj4 s ILE 280 Ca 0.18 0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3dj4 s ILE 280 Cb -0.11 -0.53 0.02 0.00 0.01 0.00 0.00 42.46 41.86 3dj4 s ILE 280 CO 0.09 0.06 0.73 -0.83 0.00 0.00 0.00 174.94 174.99 3dj4 s GLY 281 N 1.75 1.77 0.38 6.18 0.00 -0.27 -4.93 107.32 112.20 3dj4 s GLY 281 Ca -0.06 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 43.10 3dj4 s GLY 281 CO -0.11 -1.05 1.17 -2.13 0.00 0.00 0.00 173.10 170.98 3dj4 n ARG 282 N -2.23 1.74 -1.12 2.90 0.63 -1.26 -2.81 116.66 114.51 3dj4 n ARG 282 Ca 0.06 0.62 -0.04 0.00 -0.92 0.00 0.00 57.85 57.57 3dj4 n ARG 282 Cb 0.59 -2.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.29 3dj4 n ARG 282 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3dj4 n ASP 283 N 0.59 -4.94 -4.88 6.15 8.00 0.48 -2.46 116.55 119.49 3dj4 n ASP 283 Ca 0.07 0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.37 3dj4 n ASP 283 Cb 0.37 -2.80 0.01 0.00 -0.02 0.00 0.00 41.12 38.68 3dj4 n ASP 283 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dj4 s THR 284 N -1.67 4.76 -0.15 -3.53 -4.23 -1.12 -3.70 115.64 106.00 3dj4 s THR 284 Ca 0.00 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 61.21 3dj4 s THR 284 Cb 0.00 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 70.00 3dj4 s THR 284 CO 0.00 -1.05 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.19 3dj4 s VAL 285 N -3.03 1.67 -0.36 2.29 1.01 -0.40 -1.66 120.40 119.92 3dj4 s VAL 285 Ca 0.53 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3dj4 s VAL 285 Cb -0.11 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.76 3dj4 s VAL 285 CO 0.51 0.48 0.16 -0.63 0.00 0.00 0.00 175.10 175.61 3dj4 s ILE 286 N 1.38 4.21 0.57 2.22 -1.09 0.23 0.32 121.20 129.04 3dj4 s ILE 286 Ca 0.03 -0.98 -0.08 0.00 -2.23 0.00 0.00 60.65 57.39 3dj4 s ILE 286 Cb -0.13 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 3dj4 s ILE 286 CO -0.10 -0.21 0.92 -1.00 -1.23 0.00 0.00 174.94 173.32 3dj4 s HIS 287 N 1.48 3.50 0.77 3.97 3.76 0.11 -1.70 115.29 127.19 3dj4 s HIS 287 Ca 0.00 0.95 -0.15 0.00 -0.15 0.00 0.00 55.06 55.72 3dj4 s HIS 287 Cb -0.19 -2.60 0.04 0.00 1.11 0.00 0.00 32.58 30.94 3dj4 s HIS 287 CO 0.05 -0.61 1.07 -2.30 -0.85 0.00 0.00 174.74 172.10 3dj4 n PRO 288 N -2.56 0.34 -1.36 8.40 -0.02 -1.26 -4.02 135.00 134.53 3dj4 n PRO 288 Ca 0.04 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3dj4 n PRO 288 Cb 0.55 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3dj4 n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dj4 n GLY 289 N 0.84 0.64 3.38 -1.23 0.00 -0.73 -2.04 105.19 106.04 3dj4 n GLY 289 Ca 0.13 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3dj4 n GLY 289 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dj4 s THR 290 N -2.00 2.84 -0.16 2.61 2.01 -0.83 -2.68 115.64 117.43 3dj4 s THR 290 Ca 0.00 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3dj4 s THR 290 Cb 0.00 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3dj4 s THR 290 CO 0.00 0.56 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.21 3dj4 s GLN 291 N -0.13 3.12 -0.32 4.92 1.11 -0.66 -1.26 119.66 126.45 3dj4 s GLN 291 Ca -0.02 -0.79 -0.06 0.00 0.01 0.00 0.00 55.36 54.50 3dj4 s GLN 291 Cb -0.14 -2.59 0.03 0.00 -1.01 0.00 0.00 33.01 29.30 3dj4 s GLN 291 CO 0.04 -0.07 0.09 -0.51 0.01 0.00 0.00 175.29 174.85 3dj4 s LEU 292 N 0.99 4.11 0.30 2.90 1.43 -0.07 -1.55 118.68 126.78 3dj4 s LEU 292 Ca -0.02 -0.98 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3dj4 s LEU 292 Cb -0.15 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 3dj4 s LEU 292 CO -0.04 -0.27 -0.08 -0.76 0.23 0.00 0.00 176.35 175.43 3dj4 s LEU 293 N 1.43 2.58 0.00 1.79 1.43 0.29 -1.69 118.68 124.51 3dj4 s LEU 293 Ca -0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 3dj4 s LEU 293 Cb -0.19 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3dj4 s LEU 293 CO 0.02 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.94 3dj4 n GLY 294 N -0.66 2.37 2.29 -3.19 0.00 -1.26 -2.44 105.19 102.29 3dj4 n GLY 294 Ca -0.05 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3dj4 n GLY 294 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dj4 n ARG 295 N 13.36 2.70 -1.91 1.61 0.63 -1.26 -3.97 116.66 127.81 3dj4 n ARG 295 Ca 0.00 -3.32 -0.40 0.00 -0.92 0.00 0.00 57.85 53.21 3dj4 n ARG 295 Cb 0.00 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 30.64 3dj4 n ARG 295 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3dj4 s THR 296 N -4.65 2.31 -0.06 5.15 2.01 -1.07 -4.48 115.64 114.85 3dj4 s THR 296 Ca 0.63 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.92 3dj4 s THR 296 Cb 0.50 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.86 3dj4 s THR 296 CO 0.00 0.05 -0.05 -1.10 -0.69 0.00 0.00 174.62 172.84 3dj4 s GLN 297 N -2.27 0.93 -0.07 4.92 -0.21 0.51 -2.81 119.66 120.66 3dj4 s GLN 297 Ca 0.57 -0.11 0.04 0.00 0.02 0.00 0.00 55.36 55.88 3dj4 s GLN 297 Cb -0.42 -0.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.60 3dj4 s GLN 297 CO 0.54 -0.12 -0.17 0.42 -2.12 0.00 0.00 175.29 173.84 3dj4 s ILE 298 N 1.13 2.75 0.00 1.08 -1.09 0.02 -0.55 121.20 124.54 3dj4 s ILE 298 Ca -0.08 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 3dj4 s ILE 298 Cb -0.14 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 3dj4 s ILE 298 CO -0.01 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3dj4 n GLY 299 N 2.77 -0.01 3.95 6.18 0.00 -0.55 -1.11 105.19 116.43 3dj4 n GLY 299 Ca -0.17 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 3dj4 n GLY 299 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dj4 s GLY 300 N -0.93 1.36 0.00 -0.02 0.00 -1.26 -2.69 107.32 103.78 3dj4 s GLY 300 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3dj4 s GLY 300 CO 0.00 -0.97 0.00 0.54 0.00 0.00 0.00 173.10 172.67 3dj4 n ARG 301 N -1.74 -1.16 -1.87 2.90 1.74 -1.03 0.12 116.66 115.62 3dj4 n ARG 301 Ca -0.04 0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 57.00 3dj4 n ARG 301 Cb 0.57 -4.19 0.03 0.00 -1.02 0.00 0.00 32.46 27.85 3dj4 n ARG 301 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dj4 s VAL 303 N -2.51 4.28 -0.41 0.00 1.01 -0.89 -1.28 120.40 120.60 3dj4 s VAL 303 Ca 0.64 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3dj4 s VAL 303 Cb -0.17 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3dj4 s VAL 303 CO 0.41 0.37 0.26 -0.69 0.00 0.00 0.00 175.10 175.44 3dj4 s VAL 304 N 1.39 4.44 0.00 2.92 1.01 0.15 -1.06 120.40 129.26 3dj4 s VAL 304 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3dj4 s VAL 304 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3dj4 s VAL 304 CO 0.03 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.31 3dj4 n GLY 305 N 4.97 -0.85 3.76 4.51 0.00 -0.14 0.07 105.19 117.51 3dj4 n GLY 305 Ca -0.11 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 3dj4 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dj4 s PRO 306 N -1.66 4.80 -0.53 1.61 0.04 -1.26 -4.06 135.00 133.94 3dj4 s PRO 306 Ca 0.00 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 3dj4 s PRO 306 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3dj4 s PRO 306 CO 0.00 0.50 0.39 -0.25 0.04 0.00 0.00 177.00 177.68 3dj4 n ASP 307 N 1.39 -3.55 -4.67 6.66 8.00 -0.87 -2.53 116.55 120.98 3dj4 n ASP 307 Ca -0.02 -0.18 -0.35 0.00 0.71 0.00 0.00 54.79 54.95 3dj4 n ASP 307 Cb 0.48 -2.19 -0.09 0.00 -0.02 0.00 0.00 41.12 39.30 3dj4 n ASP 307 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dj4 s THR 308 N -3.03 5.19 -0.20 -3.53 2.01 -1.24 -3.78 115.64 111.06 3dj4 s THR 308 Ca 0.19 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 3dj4 s THR 308 Cb -0.08 -3.38 0.01 0.00 0.01 0.00 0.00 72.50 69.06 3dj4 s THR 308 CO 0.24 0.41 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.57 3dj4 s THR 309 N 0.61 2.65 -0.09 -0.82 2.01 0.11 -1.65 115.64 118.47 3dj4 s THR 309 Ca 0.06 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3dj4 s THR 309 Cb -0.12 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.22 3dj4 s THR 309 CO 0.01 0.46 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.51 3dj4 s LEU 310 N 1.37 1.60 -0.26 4.42 1.43 -0.59 0.24 118.68 126.88 3dj4 s LEU 310 Ca 0.05 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3dj4 s LEU 310 Cb -0.14 -0.94 0.06 0.00 0.03 0.00 0.00 46.19 45.20 3dj4 s LEU 310 CO -0.08 0.00 -0.10 -0.89 0.23 0.00 0.00 176.35 175.51 3dj4 s THR 311 N 0.97 2.27 -1.14 5.49 2.01 -0.81 0.10 115.64 124.53 3dj4 s THR 311 Ca -0.08 -1.55 -0.05 0.00 0.31 0.00 0.00 61.69 60.31 3dj4 s THR 311 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 3dj4 s THR 311 CO -0.00 0.00 0.89 0.47 -0.69 0.00 0.00 174.62 175.29 3dj4 n ASP 312 N 4.47 -4.48 -4.18 3.53 8.00 -1.02 -1.13 116.55 121.74 3dj4 n ASP 312 Ca -0.14 -0.74 -0.30 0.00 0.71 0.00 0.00 54.79 54.31 3dj4 n ASP 312 Cb 0.43 -4.80 -0.17 0.00 -0.02 0.00 0.00 41.12 36.56 3dj4 n ASP 312 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dj4 s VAL 313 N -3.43 1.84 -0.24 2.53 1.01 -1.26 -2.00 120.40 118.84 3dj4 s VAL 313 Ca 0.27 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 3dj4 s VAL 313 Cb -0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3dj4 s VAL 313 CO 0.76 0.51 0.10 0.00 0.00 0.00 0.00 175.10 176.47 3dj4 s ALA 314 N 0.39 3.32 -0.09 5.51 0.00 -0.97 -0.36 121.76 129.55 3dj4 s ALA 314 Ca -0.17 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3dj4 s ALA 314 Cb -0.17 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.83 3dj4 s ALA 314 CO 0.07 -0.31 -0.12 0.08 0.00 0.00 0.00 175.76 175.48 3dj4 s VAL 315 N 1.29 1.22 0.00 0.00 1.01 0.29 -0.66 120.40 123.56 3dj4 s VAL 315 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3dj4 s VAL 315 Cb -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3dj4 s VAL 315 CO 0.05 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3dj4 n GLY 316 N 4.23 -0.53 3.76 4.51 0.00 -0.52 -1.49 105.19 115.15 3dj4 n GLY 316 Ca -0.19 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3dj4 n GLY 316 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dj4 s ASP 317 N -1.00 7.08 -0.82 1.61 1.01 -1.26 -3.60 116.67 119.69 3dj4 s ASP 317 Ca 0.00 2.39 0.00 0.00 0.71 0.00 0.00 52.55 55.65 3dj4 s ASP 317 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3dj4 s ASP 317 CO 0.00 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.68 3dj4 n GLY 318 N 1.30 0.96 3.92 0.21 0.00 0.33 -1.56 105.19 110.36 3dj4 n GLY 318 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 3dj4 n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dj4 s ALA 319 N -2.25 3.72 -0.16 4.61 0.00 -1.26 -3.52 121.76 122.90 3dj4 s ALA 319 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3dj4 s ALA 319 Cb 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 3dj4 s ALA 319 CO 0.00 0.24 -0.11 0.45 0.00 0.00 0.00 175.76 176.35 3dj4 s SER 320 N -3.39 4.08 -0.41 0.00 0.15 -0.11 -2.11 113.70 111.92 3dj4 s SER 320 Ca 0.41 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.72 3dj4 s SER 320 Cb -0.10 -1.65 0.14 0.00 -1.71 0.00 0.00 66.02 62.70 3dj4 s SER 320 CO 0.31 0.11 0.24 -0.69 1.20 0.00 0.00 173.24 174.41 3dj4 s VAL 321 N 0.70 0.86 -0.14 4.45 1.01 -0.22 0.29 120.40 127.35 3dj4 s VAL 321 Ca -0.05 -2.27 -0.03 0.00 0.00 0.00 0.00 61.98 59.63 3dj4 s VAL 321 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3dj4 s VAL 321 CO 0.02 -0.96 -0.04 -0.69 0.00 0.00 0.00 175.10 173.43 3dj4 s VAL 322 N 0.57 3.91 -0.83 2.92 1.01 0.66 -0.97 120.40 127.67 3dj4 s VAL 322 Ca 0.19 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 3dj4 s VAL 322 Cb -0.21 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.51 3dj4 s VAL 322 CO -0.02 0.52 0.50 0.54 0.00 0.00 0.00 175.10 176.64 3dj4 n ARG 323 N 3.21 -0.69 -5.23 2.72 1.74 -1.05 -3.93 116.66 113.43 3dj4 n ARG 323 Ca -0.18 0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 3dj4 n ARG 323 Cb 0.53 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 3dj4 n ARG 323 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dj4 s THR 324 N -3.45 1.97 -0.27 0.55 2.01 -1.25 -1.08 115.64 114.12 3dj4 s THR 324 Ca 0.24 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 3dj4 s THR 324 Cb -0.13 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3dj4 s THR 324 CO 0.73 0.55 0.08 -2.28 -0.69 0.00 0.00 174.62 173.01 3dj4 s HIS 325 N -0.41 3.10 0.01 4.92 2.46 -0.07 0.10 115.29 125.39 3dj4 s HIS 325 Ca 0.05 -0.61 -0.17 0.00 0.47 0.00 0.00 55.06 54.80 3dj4 s HIS 325 Cb -0.11 -2.25 0.03 0.00 -0.13 0.00 0.00 32.58 30.12 3dj4 s HIS 325 CO 0.01 -0.44 0.36 0.20 -2.47 0.00 0.00 174.74 172.40 3dj4 s GLY 326 N 1.58 -0.20 0.07 1.59 0.00 0.14 -1.05 107.32 109.43 3dj4 s GLY 326 Ca 0.05 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.97 3dj4 s GLY 326 CO 0.03 0.11 0.31 -1.35 0.00 0.00 0.00 173.10 172.20 3dj4 s SER 327 N -1.60 -0.11 -1.01 1.64 1.04 -0.98 -1.93 113.70 110.75 3dj4 s SER 327 Ca -0.10 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 3dj4 s SER 327 Cb -0.03 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.50 3dj4 s SER 327 CO 0.02 -0.68 0.61 -1.20 0.98 0.00 0.00 173.24 172.97 3dj4 n SER 328 N 0.30 -4.06 -3.65 7.02 7.64 -0.29 -3.31 113.62 117.27 3dj4 n SER 328 Ca -0.17 -1.12 -0.10 0.00 1.01 0.00 0.00 58.87 58.48 3dj4 n SER 328 Cb 0.61 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 3dj4 n SER 328 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dj4 s SER 329 N -3.37 -0.21 0.03 6.43 0.01 -1.17 -0.20 113.70 115.22 3dj4 s SER 329 Ca 0.30 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.27 3dj4 s SER 329 Cb -0.17 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 3dj4 s SER 329 CO 0.89 -0.85 -0.16 -0.94 0.41 0.00 0.00 173.24 172.59 3dj4 s SER 330 N -2.81 1.92 -0.17 2.44 1.04 0.63 -2.30 113.70 114.45 3dj4 s SER 330 Ca 0.03 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 3dj4 s SER 330 Cb 0.02 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.03 3dj4 s SER 330 CO -0.12 0.10 -0.06 -0.63 0.98 0.00 0.00 173.24 173.51 3dj4 s ILE 331 N -0.74 1.18 1.04 -1.02 1.01 0.17 -1.00 121.20 121.83 3dj4 s ILE 331 Ca 0.04 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 3dj4 s ILE 331 Cb -0.08 -1.33 0.21 0.00 0.01 0.00 0.00 42.46 41.27 3dj4 s ILE 331 CO 0.01 0.15 1.09 -0.83 0.00 0.00 0.00 174.94 175.36 3dj4 s GLY 332 N 1.60 1.56 0.36 6.18 0.00 0.40 -1.44 107.32 115.98 3dj4 s GLY 332 Ca 0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.03 3dj4 s GLY 332 CO -0.08 0.23 1.13 1.22 0.00 0.00 0.00 173.10 175.60 3dj4 n ASP 333 N -4.31 1.89 0.00 1.64 8.00 -1.26 -2.25 116.55 120.25 3dj4 n ASP 333 Ca 0.05 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.70 3dj4 n ASP 333 Cb 0.57 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 3dj4 n ASP 333 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dj4 n GLY 334 N 1.02 0.00 3.73 0.44 0.00 -0.60 -0.42 105.19 109.35 3dj4 n GLY 334 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3dj4 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dj4 s ALA 335 N -0.85 2.21 -0.14 4.61 0.00 -0.95 -4.30 121.76 122.33 3dj4 s ALA 335 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3dj4 s ALA 335 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3dj4 s ALA 335 CO 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 175.76 173.87 3dj4 s ALA 336 N -1.84 2.54 -0.02 0.00 0.00 -0.38 -0.93 121.76 121.12 3dj4 s ALA 336 Ca 0.76 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3dj4 s ALA 336 Cb -0.31 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 3dj4 s ALA 336 CO 0.43 0.12 -0.11 0.08 0.00 0.00 0.00 175.76 176.28 3dj4 s VAL 337 N 0.57 0.91 0.00 0.00 1.01 0.15 -1.04 120.40 121.99 3dj4 s VAL 337 Ca -0.09 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3dj4 s VAL 337 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3dj4 s VAL 337 CO 0.04 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3dj4 n GLY 338 N 3.05 -0.00 3.90 4.51 0.00 -1.00 -0.25 105.19 115.40 3dj4 n GLY 338 Ca -0.16 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3dj4 n GLY 338 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dj4 s PRO 339 N -1.54 3.57 -0.42 1.61 0.04 -1.26 -4.35 135.00 132.65 3dj4 s PRO 339 Ca 0.00 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.23 3dj4 s PRO 339 Cb 0.00 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3dj4 s PRO 339 CO 0.00 -0.16 0.36 1.19 0.04 0.00 0.00 177.00 178.43 3dj4 n PHE 340 N -2.09 -0.90 -4.86 0.56 3.72 -0.24 -3.56 117.46 110.09 3dj4 n PHE 340 Ca 0.00 0.34 -0.27 0.00 -0.05 0.00 0.00 57.45 57.47 3dj4 n PHE 340 Cb 0.55 -3.15 -0.15 0.00 -0.94 0.00 0.00 39.48 35.80 3dj4 n PHE 340 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3dj4 s THR 341 N -3.14 1.80 -0.22 4.37 2.01 -1.13 0.52 115.64 119.84 3dj4 s THR 341 Ca 0.10 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 60.97 3dj4 s THR 341 Cb -0.01 -1.53 0.04 0.00 0.01 0.00 0.00 72.50 71.01 3dj4 s THR 341 CO 0.28 0.34 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.94 3dj4 s TYR 342 N -0.70 2.98 -0.24 4.92 5.04 -0.72 -0.90 117.35 127.73 3dj4 s TYR 342 Ca 0.09 -1.99 -0.07 0.00 -2.44 0.00 0.00 57.07 52.66 3dj4 s TYR 342 Cb -0.09 -1.89 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 3dj4 s TYR 342 CO 0.01 -0.84 0.07 -0.51 -1.34 0.00 0.00 175.55 172.94 3dj4 s LEU 343 N 1.21 3.48 0.38 6.97 1.43 -0.22 -1.68 118.68 130.25 3dj4 s LEU 343 Ca -0.03 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3dj4 s LEU 343 Cb -0.17 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3dj4 s LEU 343 CO -0.08 -0.01 0.58 -0.13 0.23 0.00 0.00 176.35 176.94 3dj4 s ARG 344 N 1.47 3.34 0.35 1.70 0.52 0.71 -2.32 118.95 124.73 3dj4 s ARG 344 Ca 0.06 -0.40 -0.24 0.00 -0.52 0.00 0.00 55.73 54.62 3dj4 s ARG 344 Cb -0.15 -2.63 -0.14 0.00 0.52 0.00 0.00 34.95 32.55 3dj4 s ARG 344 CO 0.04 0.01 0.56 -2.30 0.02 0.00 0.00 175.30 173.63 3dj4 n PRO 345 N -1.87 0.51 -0.58 3.54 -0.02 -1.21 -2.77 135.00 132.60 3dj4 n PRO 345 Ca -0.03 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3dj4 n PRO 345 Cb 0.57 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3dj4 n PRO 345 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dj4 n GLY 346 N 1.80 0.76 3.66 -1.23 0.00 0.72 -1.28 105.19 109.62 3dj4 n GLY 346 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3dj4 n GLY 346 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dj4 s THR 347 N -2.68 3.54 -0.21 2.61 2.01 -1.11 -2.55 115.64 117.24 3dj4 s THR 347 Ca 0.00 0.65 0.02 0.00 0.31 0.00 0.00 61.69 62.67 3dj4 s THR 347 Cb 0.00 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3dj4 s THR 347 CO 0.00 -0.08 -0.13 0.00 -0.69 0.00 0.00 174.62 173.72 3dj4 s ALA 348 N 4.29 2.28 -0.16 7.40 0.00 0.69 -0.27 121.76 135.99 3dj4 s ALA 348 Ca 0.75 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 3dj4 s ALA 348 Cb -0.33 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3dj4 s ALA 348 CO 0.30 -0.82 -0.03 -1.17 0.00 0.00 0.00 175.76 174.04 3dj4 s LEU 349 N 1.27 3.27 0.92 0.00 2.96 -0.17 -0.36 118.68 126.57 3dj4 s LEU 349 Ca -0.02 -0.12 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 3dj4 s LEU 349 Cb -0.17 -1.79 0.14 0.00 0.50 0.00 0.00 46.19 44.88 3dj4 s LEU 349 CO -0.08 0.16 1.17 -0.83 -1.32 0.00 0.00 176.35 175.45 3dj4 s GLY 350 N 0.39 1.60 0.31 7.98 0.00 0.37 -0.46 107.32 117.52 3dj4 s GLY 350 Ca -0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 44.72 43.75 3dj4 s GLY 350 CO 0.03 -0.07 0.93 0.00 0.00 0.00 0.00 173.10 173.99 3dj4 n ALA 351 N -3.74 -0.51 -1.75 3.20 0.00 -1.26 -2.38 120.51 114.06 3dj4 n ALA 351 Ca 0.08 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 3dj4 n ALA 351 Cb 0.60 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 3dj4 n ALA 351 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dj4 n ASP 352 N 1.22 -4.17 -4.85 0.00 8.00 0.44 -0.32 116.55 116.87 3dj4 n ASP 352 Ca 0.10 0.30 -0.30 0.00 0.71 0.00 0.00 54.79 55.60 3dj4 n ASP 352 Cb 0.33 -3.72 0.08 0.00 -0.02 0.00 0.00 41.12 37.79 3dj4 n ASP 352 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dj4 s GLY 353 N -2.20 1.61 -0.04 0.44 0.00 -1.00 -3.82 107.32 102.31 3dj4 s GLY 353 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 3dj4 s GLY 353 CO 0.00 0.04 0.07 1.25 0.00 0.00 0.00 173.10 174.46 3dj4 s LYS 354 N -5.34 -0.02 -0.24 2.90 2.20 0.09 -1.26 119.74 118.08 3dj4 s LYS 354 Ca 0.60 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 56.54 3dj4 s LYS 354 Cb -0.12 -0.32 0.05 0.00 -1.51 0.00 0.00 37.83 35.93 3dj4 s LYS 354 CO 0.52 -0.23 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.65 3dj4 s LEU 355 N 1.52 3.14 0.00 5.43 1.43 -0.21 -1.50 118.68 128.49 3dj4 s LEU 355 Ca -0.04 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 3dj4 s LEU 355 Cb -0.12 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3dj4 s LEU 355 CO -0.04 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3dj4 n GLY 356 N 4.50 0.40 3.72 -3.19 0.00 0.15 -2.39 105.19 108.38 3dj4 n GLY 356 Ca -0.16 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3dj4 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dj4 s ALA 357 N -3.22 3.60 -0.95 4.61 0.00 -1.11 -3.30 121.76 121.38 3dj4 s ALA 357 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 3dj4 s ALA 357 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3dj4 s ALA 357 CO 0.00 -0.62 0.29 1.19 0.00 0.00 0.00 175.76 176.63 3dj4 n PHE 358 N 3.64 -1.06 -4.34 0.00 3.72 0.18 -2.61 117.46 117.00 3dj4 n PHE 358 Ca 0.10 0.25 -0.34 0.00 -0.05 0.00 0.00 57.45 57.41 3dj4 n PHE 358 Cb 0.42 -3.03 -0.11 0.00 -0.94 0.00 0.00 39.48 35.82 3dj4 n PHE 358 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dj4 s VAL 359 N -2.86 4.15 -0.11 -4.37 1.01 -1.21 -2.79 120.40 114.23 3dj4 s VAL 359 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3dj4 s VAL 359 Cb -0.06 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3dj4 s VAL 359 CO 0.18 0.52 -0.09 -0.70 0.00 0.00 0.00 175.10 175.01 3dj4 s GLU 360 N -0.03 3.16 -0.03 2.72 2.12 -0.84 -1.76 118.70 124.05 3dj4 s GLU 360 Ca 0.02 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.79 3dj4 s GLU 360 Cb -0.13 -2.66 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 3dj4 s GLU 360 CO 0.02 0.40 -0.17 0.08 -0.54 0.00 0.00 175.26 175.05 3dj4 s VAL 361 N -0.11 1.37 -0.04 3.70 1.01 -0.68 -1.23 120.40 124.43 3dj4 s VAL 361 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3dj4 s VAL 361 Cb -0.13 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3dj4 s VAL 361 CO 0.03 0.39 -0.05 -0.75 0.00 0.00 0.00 175.10 174.72 3dj4 s LYS 362 N -0.13 0.82 -1.30 2.72 2.36 0.17 -0.21 119.74 124.17 3dj4 s LYS 362 Ca 0.00 -0.15 -0.10 0.00 -2.55 0.00 0.00 55.97 53.17 3dj4 s LYS 362 Cb -0.09 -0.80 0.01 0.00 -1.05 0.00 0.00 37.83 35.90 3dj4 s LYS 362 CO 0.01 -0.03 0.20 -1.71 1.55 0.00 0.00 175.35 175.37 3dj4 n ASN 363 N 3.80 -0.59 -4.09 1.43 5.15 -0.40 -2.02 115.26 118.53 3dj4 n ASN 363 Ca -0.23 -1.17 -0.17 0.00 -0.60 0.00 0.00 54.58 52.41 3dj4 n ASN 363 Cb 0.52 -1.43 -0.13 0.00 -0.53 0.00 0.00 39.78 38.21 3dj4 n ASN 363 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3dj4 s SER 364 N -4.07 1.24 -0.19 1.20 0.01 -1.06 -3.20 113.70 107.64 3dj4 s SER 364 Ca 0.14 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 3dj4 s SER 364 Cb -0.08 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 3dj4 s SER 364 CO 0.90 -0.05 0.07 -0.89 0.41 0.00 0.00 173.24 173.67 3dj4 s THR 365 N -0.96 4.72 -0.10 1.44 2.01 -1.04 -0.23 115.64 121.49 3dj4 s THR 365 Ca -0.03 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 3dj4 s THR 365 Cb -0.08 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.32 3dj4 s THR 365 CO 0.01 0.44 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.73 3dj4 s ILE 366 N 0.59 0.56 0.87 1.82 1.01 0.52 -0.15 121.20 126.41 3dj4 s ILE 366 Ca 0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3dj4 s ILE 366 Cb -0.13 -0.73 0.12 0.00 0.01 0.00 0.00 42.46 41.73 3dj4 s ILE 366 CO 0.01 0.22 1.21 -0.83 0.00 0.00 0.00 174.94 175.56 3dj4 s GLY 367 N 1.89 1.64 0.17 6.18 0.00 -0.31 0.14 107.32 117.03 3dj4 s GLY 367 Ca 0.04 -0.78 -0.33 0.00 0.00 0.00 0.00 44.72 43.65 3dj4 s GLY 367 CO -0.06 -0.21 1.63 2.41 0.00 0.00 0.00 173.10 176.87 3dj4 n THR 368 N -3.51 0.02 -0.97 0.90 -1.04 -1.26 -2.43 114.28 105.99 3dj4 n THR 368 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3dj4 n THR 368 Cb 0.60 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 3dj4 n THR 368 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dj4 n GLY 369 N 3.61 0.45 3.80 3.41 0.00 0.57 -1.65 105.19 115.37 3dj4 n GLY 369 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3dj4 n GLY 369 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dj4 s THR 370 N -2.06 4.06 -0.07 2.61 2.01 -1.02 -3.88 115.64 117.29 3dj4 s THR 370 Ca 0.00 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.44 3dj4 s THR 370 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.86 3dj4 s THR 370 CO 0.00 -0.13 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.20 3dj4 s LYS 371 N -2.79 1.20 -0.53 4.92 1.02 -0.86 -0.73 119.74 121.96 3dj4 s LYS 371 Ca 0.60 -0.19 0.05 0.00 0.02 0.00 0.00 55.97 56.45 3dj4 s LYS 371 Cb -0.16 -1.20 0.19 0.00 -0.52 0.00 0.00 37.83 36.14 3dj4 s LYS 371 CO 0.20 -0.14 0.48 0.28 -0.92 0.00 0.00 175.35 175.25 3dj4 n VAL 372 N 4.41 0.26 0.38 3.17 0.31 -0.56 -0.86 118.33 125.44 3dj4 n VAL 372 Ca -0.18 -4.22 0.12 0.00 -0.01 0.00 0.00 64.34 60.05 3dj4 n VAL 372 Cb 0.51 -1.93 0.22 0.00 -0.91 0.00 0.00 33.84 31.73 3dj4 n VAL 372 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3dj4 h PRO 373 N 5.08 0.00 -3.14 5.55 0.13 -1.80 0.44 132.00 138.27 3dj4 h PRO 373 Ca 0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.07 3dj4 h PRO 373 Cb 0.82 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.62 3dj4 h PRO 373 CO 0.56 0.00 -0.59 -1.01 -0.23 0.00 0.00 178.00 176.73 3dj4 s HIS 374 N -3.19 -0.21 -1.52 1.56 3.76 -1.26 -2.77 115.29 111.66 3dj4 s HIS 374 Ca 0.07 0.61 -0.13 0.00 -0.15 0.00 0.00 55.06 55.46 3dj4 s HIS 374 Cb 0.09 -0.12 0.08 0.00 1.11 0.00 0.00 32.58 33.74 3dj4 s HIS 374 CO 0.67 -0.23 0.97 1.28 -0.85 0.00 0.00 174.74 176.59 3dj4 n LEU 375 N 4.69 -2.58 -4.20 0.89 4.77 -1.07 -1.64 117.00 117.85 3dj4 n LEU 375 Ca -0.17 -0.78 -0.22 0.00 -0.03 0.00 0.00 56.01 54.81 3dj4 n LEU 375 Cb 0.51 -2.57 -0.13 0.00 -2.33 0.00 0.00 43.42 38.90 3dj4 n LEU 375 CO 0.12 0.47 -0.49 0.42 -1.33 0.00 0.00 177.39 176.58 3dj4 s THR 376 N -3.32 1.38 -0.23 -5.08 -4.23 -1.12 -2.81 115.64 100.22 3dj4 s THR 376 Ca 0.63 -1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 3dj4 s THR 376 Cb -0.31 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3dj4 s THR 376 CO 0.83 0.01 0.11 -0.47 -0.54 0.00 0.00 174.62 174.56 3dj4 s TYR 377 N -0.96 3.21 -0.29 3.99 5.04 -0.78 -1.99 117.35 125.58 3dj4 s TYR 377 Ca 0.04 -0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 54.63 3dj4 s TYR 377 Cb -0.09 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 40.05 3dj4 s TYR 377 CO 0.02 -0.08 -0.03 0.08 -1.34 0.00 0.00 175.55 174.20 3dj4 s VAL 378 N 1.16 2.76 -0.00 3.14 1.01 -0.37 -0.82 120.40 127.29 3dj4 s VAL 378 Ca 0.06 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 60.66 3dj4 s VAL 378 Cb -0.14 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3dj4 s VAL 378 CO 0.04 -0.07 -0.18 -0.83 0.00 0.00 0.00 175.10 174.07 3dj4 s GLY 379 N 1.22 0.88 -1.54 4.51 0.00 -1.26 -0.65 107.32 110.48 3dj4 s GLY 379 Ca -0.06 -0.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 3dj4 s GLY 379 CO -0.02 -0.69 0.34 1.22 0.00 0.00 0.00 173.10 173.95 3dj4 n ASP 380 N 2.48 -0.43 -4.23 1.64 8.00 -0.86 -4.68 116.55 118.48 3dj4 n ASP 380 Ca -0.15 -1.12 -0.18 0.00 0.71 0.00 0.00 54.79 54.05 3dj4 n ASP 380 Cb 0.54 -2.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.13 3dj4 n ASP 380 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dj4 s ALA 381 N -3.96 1.45 -0.04 2.24 0.00 -1.25 -3.57 121.76 116.64 3dj4 s ALA 381 Ca 0.18 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.94 3dj4 s ALA 381 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3dj4 s ALA 381 CO 0.94 0.12 -0.19 -0.51 0.00 0.00 0.00 175.76 176.12 3dj4 s ASP 382 N -2.33 2.32 -0.03 0.00 1.01 0.10 -2.48 116.67 115.26 3dj4 s ASP 382 Ca 0.07 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.96 3dj4 s ASP 382 Cb -0.06 -0.55 0.02 0.00 1.01 0.00 0.00 42.92 43.34 3dj4 s ASP 382 CO 0.03 0.19 -0.03 -0.63 0.21 0.00 0.00 175.17 174.93 3dj4 s ILE 383 N -0.11 0.42 0.00 0.77 1.01 0.78 -0.44 121.20 123.64 3dj4 s ILE 383 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3dj4 s ILE 383 Cb -0.11 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.91 3dj4 s ILE 383 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3dj4 n GLY 384 N 3.92 -0.88 3.78 6.18 0.00 0.01 -1.16 105.19 117.04 3dj4 n GLY 384 Ca -0.25 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3dj4 n GLY 384 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dj4 s GLU 385 N 0.00 2.87 -1.24 1.61 2.02 -1.26 -2.71 118.70 119.99 3dj4 s GLU 385 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3dj4 s GLU 385 Cb 0.00 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3dj4 s GLU 385 CO 0.00 0.55 0.00 0.66 0.02 0.00 0.00 175.26 176.49 3dj4 n TYR 386 N 0.30 -0.87 -2.11 1.61 4.02 -0.66 -1.33 117.16 118.12 3dj4 n TYR 386 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.53 3dj4 n TYR 386 Cb 0.52 -2.68 0.07 0.00 -0.02 0.00 0.00 39.34 37.23 3dj4 n TYR 386 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3dj4 s SER 387 N -2.06 4.79 -0.12 7.72 0.01 -1.26 -3.79 113.70 118.98 3dj4 s SER 387 Ca 0.00 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 3dj4 s SER 387 Cb 0.00 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 65.06 3dj4 s SER 387 CO 0.00 -1.65 0.19 0.21 0.41 0.00 0.00 173.24 172.40 3dj4 s ASN 388 N -4.52 0.90 -0.33 2.44 2.47 -0.20 -2.03 114.94 113.67 3dj4 s ASN 388 Ca 0.60 0.21 -0.12 0.00 0.42 0.00 0.00 52.86 53.98 3dj4 s ASN 388 Cb -0.11 0.36 -0.02 0.00 -1.45 0.00 0.00 41.25 40.03 3dj4 s ASN 388 CO 0.46 -0.27 0.21 -0.63 -3.72 0.00 0.00 177.10 173.15 3dj4 s ILE 389 N 2.32 5.05 0.73 -5.21 -1.09 -0.04 -1.78 121.20 121.18 3dj4 s ILE 389 Ca 0.04 -0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.03 3dj4 s ILE 389 Cb -0.13 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3dj4 s ILE 389 CO -0.08 0.03 1.25 -0.83 -1.23 0.00 0.00 174.94 174.08 3dj4 s GLY 390 N 1.69 2.50 0.69 6.18 0.00 -0.90 -4.20 107.32 113.27 3dj4 s GLY 390 Ca 0.06 1.03 -0.17 0.00 0.00 0.00 0.00 44.72 45.64 3dj4 s GLY 390 CO 0.09 1.46 0.65 0.00 0.00 0.00 0.00 173.10 175.29 3dj4 n ALA 391 N -2.62 -1.07 -3.67 3.20 0.00 -1.26 -3.92 120.51 111.18 3dj4 n ALA 391 Ca 0.15 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3dj4 n ALA 391 Cb 0.49 -1.92 0.05 0.00 0.00 0.00 0.00 19.45 18.07 3dj4 n ALA 391 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dj4 n SER 392 N -0.47 -2.92 -4.60 0.00 2.88 -0.65 -0.64 113.62 107.23 3dj4 n SER 392 Ca 0.11 -0.72 -0.24 0.00 -1.33 0.00 0.00 58.87 56.69 3dj4 n SER 392 Cb 0.49 -4.42 -0.08 0.00 -0.75 0.00 0.00 64.21 59.44 3dj4 n SER 392 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3dj4 s SER 393 N -3.99 4.19 -0.09 -3.46 0.01 -1.23 -3.18 113.70 105.95 3dj4 s SER 393 Ca 0.23 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 3dj4 s SER 393 Cb -0.11 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.57 3dj4 s SER 393 CO 0.78 -0.09 0.21 -0.69 0.41 0.00 0.00 173.24 173.86 3dj4 s VAL 394 N -2.44 -0.10 -0.56 3.43 1.01 -1.01 -1.86 120.40 118.86 3dj4 s VAL 394 Ca 0.33 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.26 3dj4 s VAL 394 Cb -0.04 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.05 3dj4 s VAL 394 CO 0.19 0.08 0.92 -0.36 0.00 0.00 0.00 175.10 175.93 3dj4 s PHE 395 N 1.45 2.79 -0.45 5.22 0.08 -0.00 -1.39 117.98 125.69 3dj4 s PHE 395 Ca -0.07 -0.12 -0.22 0.00 0.12 0.00 0.00 56.93 56.64 3dj4 s PHE 395 Cb -0.11 -4.06 0.03 0.00 -0.57 0.00 0.00 43.02 38.30 3dj4 s PHE 395 CO -0.08 -1.37 0.70 0.08 -0.10 0.00 0.00 175.22 174.46 3dj4 s VAL 396 N 3.88 4.75 0.38 -0.44 1.01 0.31 -4.09 120.40 126.20 3dj4 s VAL 396 Ca 0.28 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 3dj4 s VAL 396 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3dj4 s VAL 396 CO 0.17 -0.67 0.64 0.20 0.00 0.00 0.00 175.10 175.44 3dj4 s ASN 397 N 2.11 6.34 -0.41 3.32 0.01 -1.26 -1.39 114.94 123.66 3dj4 s ASN 397 Ca 0.25 0.71 -0.09 0.00 -0.71 0.00 0.00 52.86 53.02 3dj4 s ASN 397 Cb -0.14 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.45 3dj4 s ASN 397 CO 0.20 -0.36 0.23 -0.13 -1.51 0.00 0.00 177.10 175.53 3dj4 s ARG 405 N -4.21 2.59 0.28 -0.60 0.52 -1.26 -5.02 118.95 111.25 3dj4 s ARG 405 Ca 0.44 -1.42 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 3dj4 s ARG 405 Cb -0.10 -3.73 -0.13 0.00 0.52 0.00 0.00 34.95 31.51 3dj4 s ARG 405 CO 0.37 -0.91 1.27 2.41 0.02 0.00 0.00 175.30 178.47 3dj4 n THR 406 N 4.89 1.51 -4.25 0.02 -1.04 -1.23 -4.70 114.28 109.49 3dj4 n THR 406 Ca -0.10 -0.38 -0.27 0.00 -2.04 0.00 0.00 64.05 61.26 3dj4 n THR 406 Cb 0.43 -1.38 -0.17 0.00 -1.82 0.00 0.00 70.33 67.40 3dj4 n THR 406 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3dj4 s THR 407 N -0.62 1.22 -0.04 12.58 2.01 -0.45 0.02 115.64 130.36 3dj4 s THR 407 Ca 0.62 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.22 3dj4 s THR 407 Cb -0.64 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 3dj4 s THR 407 CO 0.56 0.39 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.97 3dj4 s VAL 408 N 1.21 1.82 0.00 3.82 1.01 0.42 -0.26 120.40 128.42 3dj4 s VAL 408 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3dj4 s VAL 408 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3dj4 s VAL 408 CO -0.03 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3dj4 n GLY 409 N 2.87 -0.03 3.87 4.51 0.00 0.44 -0.81 105.19 116.05 3dj4 n GLY 409 Ca -0.17 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 3dj4 n GLY 409 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dj4 s SER 410 N -1.00 6.50 -0.73 1.61 0.01 -1.26 -2.87 113.70 115.96 3dj4 s SER 410 Ca 0.00 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.86 3dj4 s SER 410 Cb 0.00 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.11 3dj4 s SER 410 CO 0.00 0.38 0.00 1.41 0.41 0.00 0.00 173.24 175.44 3dj4 n HIS 411 N 1.95 0.00 -1.90 2.43 8.25 -0.45 -1.31 115.22 124.19 3dj4 n HIS 411 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.88 3dj4 n HIS 411 Cb 0.54 -1.63 0.00 0.00 1.12 0.00 0.00 29.99 30.02 3dj4 n HIS 411 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dj4 s VAL 412 N -2.10 2.28 -0.24 1.59 1.01 -1.26 -3.97 120.40 117.71 3dj4 s VAL 412 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3dj4 s VAL 412 Cb 0.00 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.28 3dj4 s VAL 412 CO 0.00 0.05 -0.03 -0.13 0.00 0.00 0.00 175.10 174.98 3dj4 s ARG 413 N -2.23 1.51 0.05 2.72 0.52 -0.43 -1.03 118.95 120.06 3dj4 s ARG 413 Ca 0.56 -1.01 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 3dj4 s ARG 413 Cb -0.42 -2.56 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 3dj4 s ARG 413 CO 0.56 -0.64 0.38 0.95 0.02 0.00 0.00 175.30 176.57 3dj4 s THR 414 N 1.40 5.11 0.58 0.02 -4.23 -0.73 -2.31 115.64 115.48 3dj4 s THR 414 Ca -0.04 0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 60.83 3dj4 s THR 414 Cb -0.19 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 3dj4 s THR 414 CO -0.07 0.38 1.03 -0.83 -0.54 0.00 0.00 174.62 174.58 3dj4 s GLY 415 N -1.56 1.99 0.54 3.99 0.00 -0.19 -2.13 107.32 109.97 3dj4 s GLY 415 Ca 0.30 0.22 -0.20 0.00 0.00 0.00 0.00 44.72 45.03 3dj4 s GLY 415 CO 0.16 0.51 0.83 1.44 0.00 0.00 0.00 173.10 176.04 3dj4 n SER 416 N -2.08 0.29 -3.30 1.64 7.64 -1.26 -3.02 113.62 113.53 3dj4 n SER 416 Ca 0.07 0.85 -0.23 0.00 1.01 0.00 0.00 58.87 60.57 3dj4 n SER 416 Cb 0.53 -1.30 0.05 0.00 -1.01 0.00 0.00 64.21 62.48 3dj4 n SER 416 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dj4 n ASP 417 N 0.02 -6.11 -4.72 6.43 2.03 0.18 -0.75 116.55 113.63 3dj4 n ASP 417 Ca 0.12 -0.41 -0.38 0.00 0.52 0.00 0.00 54.79 54.64 3dj4 n ASP 417 Cb 0.45 -4.88 -0.06 0.00 -0.72 0.00 0.00 41.12 35.91 3dj4 n ASP 417 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3dj4 s THR 418 N -3.23 5.17 -0.22 5.18 2.01 -1.17 -3.10 115.64 120.28 3dj4 s THR 418 Ca 0.44 1.00 -0.09 0.00 0.31 0.00 0.00 61.69 63.35 3dj4 s THR 418 Cb -0.20 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3dj4 s THR 418 CO 0.54 0.33 0.10 -0.04 -0.69 0.00 0.00 174.62 174.86 3dj4 s MET 419 N 0.59 3.94 -0.53 4.92 -1.94 -0.30 -2.40 119.30 123.58 3dj4 s MET 419 Ca 0.27 -0.35 -0.09 0.00 -1.71 0.00 0.00 55.69 53.81 3dj4 s MET 419 Cb -0.15 -3.37 0.13 0.00 2.01 0.00 0.00 34.83 33.45 3dj4 s MET 419 CO 0.11 0.08 0.40 -0.06 -0.01 0.00 0.00 175.02 175.55 3dj4 s PHE 420 N 0.93 3.46 -0.88 -0.03 0.08 -0.48 -0.58 117.98 120.47 3dj4 s PHE 420 Ca 0.05 -1.98 -0.24 0.00 0.12 0.00 0.00 56.93 54.88 3dj4 s PHE 420 Cb -0.14 -3.50 0.05 0.00 -0.57 0.00 0.00 43.02 38.86 3dj4 s PHE 420 CO 0.03 -0.98 1.32 0.08 -0.10 0.00 0.00 175.22 175.58 3dj4 s VAL 421 N 1.07 3.95 0.32 -0.44 1.01 -0.84 -0.53 120.40 124.93 3dj4 s VAL 421 Ca 0.08 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 3dj4 s VAL 421 Cb -0.24 -4.96 -0.16 0.00 0.00 0.00 0.00 36.38 31.02 3dj4 s VAL 421 CO -0.02 -1.84 0.30 0.00 0.00 0.00 0.00 175.10 173.54 3dj4 n ALA 422 N 8.78 -2.83 -2.52 5.51 0.00 -0.49 -4.38 120.51 124.58 3dj4 n ALA 422 Ca 0.18 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 3dj4 n ALA 422 Cb 0.50 -1.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 3dj4 n ALA 422 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dj4 s PRO 423 N -1.04 4.28 -0.05 0.00 0.04 -1.26 -4.96 135.00 132.01 3dj4 s PRO 423 Ca 0.61 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 3dj4 s PRO 423 Cb -0.75 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 30.46 3dj4 s PRO 423 CO 0.60 0.37 0.23 0.54 0.04 0.00 0.00 177.00 178.78 3dj4 s VAL 424 N -0.17 0.04 -0.16 -0.36 0.11 -1.26 -4.87 120.40 113.72 3dj4 s VAL 424 Ca 0.29 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 3dj4 s VAL 424 Cb -0.18 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3dj4 s VAL 424 CO 0.16 -0.17 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.70 3dj4 s THR 425 N -0.63 2.49 -0.30 5.04 2.01 -1.26 -1.34 115.64 121.65 3dj4 s THR 425 Ca -0.07 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3dj4 s THR 425 Cb -0.04 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.44 3dj4 s THR 425 CO 0.02 0.52 0.06 -0.63 -0.69 0.00 0.00 174.62 173.89 3dj4 s ILE 426 N 0.97 3.70 0.83 1.82 -1.09 0.65 -0.70 121.20 127.38 3dj4 s ILE 426 Ca -0.03 -0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 3dj4 s ILE 426 Cb -0.15 -2.95 0.10 0.00 -1.58 0.00 0.00 42.46 37.87 3dj4 s ILE 426 CO -0.03 0.04 1.19 -0.83 -1.23 0.00 0.00 174.94 174.08 3dj4 s GLY 427 N 1.44 2.06 0.21 6.18 0.00 0.90 -0.42 107.32 117.68 3dj4 s GLY 427 Ca 0.01 0.79 -0.31 0.00 0.00 0.00 0.00 44.72 45.21 3dj4 s GLY 427 CO 0.01 1.21 1.13 1.22 0.00 0.00 0.00 173.10 176.67 3dj4 n ASP 428 N -3.50 1.37 0.00 1.64 8.00 -1.26 -2.17 116.55 120.62 3dj4 n ASP 428 Ca 0.13 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3dj4 n ASP 428 Cb 0.51 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3dj4 n ASP 428 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dj4 n GLY 429 N 1.83 0.67 3.77 0.44 0.00 -0.43 -2.39 105.19 109.09 3dj4 n GLY 429 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3dj4 n GLY 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dj4 s ALA 430 N -2.94 2.33 0.30 4.61 0.00 -0.92 -3.80 121.76 121.34 3dj4 s ALA 430 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3dj4 s ALA 430 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 3dj4 s ALA 430 CO 0.00 -1.62 -0.05 0.71 0.00 0.00 0.00 175.76 174.80 3dj4 s TYR 431 N -2.77 2.07 -0.01 0.00 4.12 0.08 -1.31 117.35 119.52 3dj4 s TYR 431 Ca 0.62 -0.68 0.01 0.00 0.02 0.00 0.00 57.07 57.04 3dj4 s TYR 431 Cb -0.18 -1.21 0.01 0.00 -1.52 0.00 0.00 41.96 39.06 3dj4 s TYR 431 CO 0.52 0.32 -0.02 0.99 0.02 0.00 0.00 175.55 177.39 3dj4 s THR 432 N -2.95 0.20 0.87 -0.71 2.01 -0.98 -2.02 115.64 112.06 3dj4 s THR 432 Ca 0.31 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 3dj4 s THR 432 Cb 0.04 -0.22 0.11 0.00 0.01 0.00 0.00 72.50 72.44 3dj4 s THR 432 CO 0.13 0.10 1.10 -0.83 -0.69 0.00 0.00 174.62 174.43 3dj4 s GLY 433 N 0.40 1.66 0.33 4.40 0.00 0.47 -1.02 107.32 113.56 3dj4 s GLY 433 Ca -0.04 0.27 -0.29 0.00 0.00 0.00 0.00 44.72 44.66 3dj4 s GLY 433 CO -0.01 0.69 1.44 0.00 0.00 0.00 0.00 173.10 175.22 3dj4 s ALA 434 N -2.81 3.58 -0.65 3.20 0.00 -1.26 -3.48 121.76 120.35 3dj4 s ALA 434 Ca 0.64 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 54.03 3dj4 s ALA 434 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3dj4 s ALA 434 CO 0.57 -0.88 0.18 0.41 0.00 0.00 0.00 175.76 176.04 3dj4 n GLY 435 N 1.01 0.15 3.78 0.00 0.00 0.07 -4.68 105.19 105.52 3dj4 n GLY 435 Ca 0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3dj4 n GLY 435 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dj4 s THR 436 N -2.68 5.35 -0.52 2.61 2.01 -1.20 -3.57 115.64 117.65 3dj4 s THR 436 Ca 0.09 0.41 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 3dj4 s THR 436 Cb -0.04 -3.54 0.09 0.00 0.01 0.00 0.00 72.50 69.02 3dj4 s THR 436 CO 0.11 0.48 0.51 -0.69 -0.69 0.00 0.00 174.62 174.34 3dj4 s VAL 437 N -0.11 5.10 -0.37 3.82 1.01 -1.26 -1.14 120.40 127.44 3dj4 s VAL 437 Ca 0.15 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3dj4 s VAL 437 Cb -0.13 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.99 3dj4 s VAL 437 CO 0.04 -0.79 0.74 -0.69 0.00 0.00 0.00 175.10 174.40 3dj4 s VAL 438 N 1.97 4.77 -0.08 2.92 1.01 0.26 -4.90 120.40 126.35 3dj4 s VAL 438 Ca 0.07 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.83 3dj4 s VAL 438 Cb -0.25 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 3dj4 s VAL 438 CO 0.06 -0.42 0.12 0.54 0.00 0.00 0.00 175.10 175.40 3dj4 n ARG 439 N 6.34 5.64 -4.07 2.72 1.74 -1.26 -1.99 116.66 125.77 3dj4 n ARG 439 Ca 0.02 -0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 3dj4 n ARG 439 Cb 0.48 -0.62 -0.11 0.00 -1.02 0.00 0.00 32.46 31.19 3dj4 n ARG 439 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3dj4 s GLU 440 N -0.99 0.56 0.26 5.56 2.02 -1.26 -4.95 118.70 119.90 3dj4 s GLU 440 Ca 0.01 -0.88 -0.26 0.00 0.02 0.00 0.00 54.97 53.86 3dj4 s GLU 440 Cb 0.01 -0.17 -0.16 0.00 0.10 0.00 0.00 34.13 33.91 3dj4 s GLU 440 CO 0.05 0.01 0.48 -0.25 0.02 0.00 0.00 175.26 175.57 3dj4 n ASP 441 N 1.10 -1.31 -4.16 -0.19 8.00 -1.26 -4.81 116.55 113.92 3dj4 n ASP 441 Ca -0.20 1.06 -0.34 0.00 0.71 0.00 0.00 54.79 56.02 3dj4 n ASP 441 Cb 0.56 -0.98 -0.14 0.00 -0.02 0.00 0.00 41.12 40.54 3dj4 n ASP 441 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dj4 s VAL 442 N -1.17 2.69 0.77 2.53 1.01 0.13 -4.96 120.40 121.40 3dj4 s VAL 442 Ca 0.63 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3dj4 s VAL 442 Cb -0.83 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.12 3dj4 s VAL 442 CO 0.58 0.07 0.92 -2.65 0.00 0.00 0.00 175.10 174.02 3dj4 n PRO 443 N 4.60 0.28 -1.65 2.72 -0.02 -1.26 -0.07 135.00 139.60 3dj4 n PRO 443 Ca -0.15 0.16 -0.49 0.00 -2.02 0.00 0.00 63.50 61.00 3dj4 n PRO 443 Cb 0.45 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3dj4 n PRO 443 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3dj4 n PRO 444 N -2.15 1.79 -0.91 0.52 -0.02 -1.26 -1.86 135.00 131.11 3dj4 n PRO 444 Ca 0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3dj4 n PRO 444 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3dj4 n PRO 444 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dj4 n GLY 445 N 3.28 0.71 3.82 -1.23 0.00 -1.00 -4.85 105.19 105.91 3dj4 n GLY 445 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3dj4 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dj4 s ALA 446 N -3.05 2.93 -0.30 4.61 0.00 -0.78 -4.81 121.76 120.35 3dj4 s ALA 446 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 3dj4 s ALA 446 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 3dj4 s ALA 446 CO 0.00 -0.41 0.24 -1.17 0.00 0.00 0.00 175.76 174.42 3dj4 s LEU 447 N -4.08 4.23 -0.12 0.00 2.96 -1.26 -0.74 118.68 119.66 3dj4 s LEU 447 Ca 0.62 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 54.25 3dj4 s LEU 447 Cb -0.13 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3dj4 s LEU 447 CO 0.30 -0.15 0.34 0.00 -1.32 0.00 0.00 176.35 175.52 3dj4 s ALA 448 N 1.80 3.61 0.05 5.97 0.00 -0.85 -4.99 121.76 127.35 3dj4 s ALA 448 Ca 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 3dj4 s ALA 448 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3dj4 s ALA 448 CO 0.11 0.18 -0.03 0.14 0.00 0.00 0.00 175.76 176.15 3dj4 s VAL 449 N 0.12 0.25 0.00 0.00 -7.23 -1.26 -0.40 120.40 111.89 3dj4 s VAL 449 Ca 0.19 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3dj4 s VAL 449 Cb -0.14 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.31 3dj4 s VAL 449 CO 0.07 -0.97 0.00 -1.54 -0.31 0.00 0.00 175.10 172.34 3dj4 n SER 450 N 0.14 0.00 -4.55 4.85 3.41 -1.26 -4.92 113.62 111.29 3dj4 n SER 450 Ca -0.14 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 57.97 3dj4 n SER 450 Cb 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3dj4 n SER 450 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dj4 n ALA 451 N -0.46 -1.25 -1.75 7.33 0.00 -1.23 -4.99 120.51 118.16 3dj4 n ALA 451 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 3dj4 n ALA 451 Cb 0.00 -1.96 0.18 0.00 0.00 0.00 0.00 19.45 17.67 3dj4 n ALA 451 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dj4 s GLY 452 N -0.14 1.70 0.50 0.00 0.00 -1.26 -5.03 107.32 103.09 3dj4 s GLY 452 Ca 0.73 -1.02 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 3dj4 s GLY 452 CO 0.54 -0.29 1.02 2.56 0.00 0.00 0.00 173.10 176.93 3dj4 s PRO 453 N -5.71 3.80 0.15 2.90 0.04 -1.26 -5.01 135.00 129.91 3dj4 s PRO 453 Ca 0.71 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 3dj4 s PRO 453 Cb -0.07 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3dj4 s PRO 453 CO 0.53 -0.42 1.53 -1.14 0.04 0.00 0.00 177.00 177.55 3dj4 s GLN 454 N -3.47 4.24 -0.12 4.56 0.74 -1.26 -5.01 119.66 119.33 3dj4 s GLN 454 Ca 0.65 2.30 0.01 0.00 0.05 0.00 0.00 55.36 58.36 3dj4 s GLN 454 Cb -0.14 -3.20 0.02 0.00 1.10 0.00 0.00 33.01 30.79 3dj4 s GLN 454 CO 0.23 -0.58 -0.13 0.50 -0.55 0.00 0.00 175.29 174.76 3dj4 s ARG 455 N 1.22 2.07 -0.20 1.67 3.52 -1.26 -5.12 118.95 120.85 3dj4 s ARG 455 Ca 0.69 -0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.67 3dj4 s ARG 455 Cb -0.42 -1.88 -0.05 0.00 -1.56 0.00 0.00 34.95 31.05 3dj4 s ARG 455 CO 0.31 -0.16 0.27 -0.80 -0.81 0.00 0.00 175.30 174.11 3dj4 s ASN 456 N 1.30 6.33 -0.42 -2.12 0.01 -1.26 -5.07 114.94 113.71 3dj4 s ASN 456 Ca -0.00 0.38 -0.05 0.00 -0.71 0.00 0.00 52.86 52.47 3dj4 s ASN 456 Cb -0.14 -2.17 0.10 0.00 0.41 0.00 0.00 41.25 39.46 3dj4 s ASN 456 CO -0.06 0.05 0.23 -0.63 -1.51 0.00 0.00 177.10 175.18 3dj4 s ILE 457 N 0.86 3.62 0.38 0.60 1.01 -1.26 -5.08 121.20 121.33 3dj4 s ILE 457 Ca 0.14 -1.84 -0.26 0.00 0.00 0.00 0.00 60.65 58.68 3dj4 s ILE 457 Cb -0.13 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 3dj4 s ILE 457 CO 0.04 -0.64 1.19 -1.61 0.00 0.00 0.00 174.94 173.92 3dj4 s GLU 458 N 1.24 4.16 -2.05 2.79 2.02 -1.26 -3.01 118.70 122.60 3dj4 s GLU 458 Ca 0.06 1.91 0.00 0.00 0.02 0.00 0.00 54.97 56.96 3dj4 s GLU 458 Cb -0.23 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3dj4 s GLU 458 CO -0.02 -0.25 0.00 0.09 0.02 0.00 0.00 175.26 175.10 3dj4 n ASN 459 N 0.30 -5.36 -0.03 -0.19 3.02 -1.26 -4.89 115.26 106.85 3dj4 n ASN 459 Ca 0.03 0.40 -0.09 0.00 -0.03 0.00 0.00 54.58 54.89 3dj4 n ASN 459 Cb 0.45 -4.70 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 3dj4 n ASN 459 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3dj4 h TRP 460 N 0.00 -0.19 -0.94 3.10 7.01 -1.98 -2.92 115.95 120.03 3dj4 h TRP 460 Ca -0.42 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.59 3dj4 h TRP 460 Cb 1.32 0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 28.44 3dj4 h TRP 460 CO 0.57 -0.13 0.57 0.28 -2.79 0.00 0.00 178.44 176.94 3dj4 h VAL 461 N -0.06 1.26 -0.08 2.65 2.07 -1.90 0.28 116.25 120.47 3dj4 h VAL 461 Ca 0.09 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3dj4 h VAL 461 Cb 0.20 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 3dj4 h VAL 461 CO -0.21 0.27 -0.14 1.56 0.02 0.00 0.00 177.57 179.07 3dj4 h GLN 462 N 1.29 -0.18 -0.23 1.57 1.08 -1.76 -0.32 115.11 116.56 3dj4 h GLN 462 Ca 0.34 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.50 3dj4 h GLN 462 Cb -0.07 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3dj4 h GLN 462 CO -0.06 -0.12 -0.07 0.00 -0.95 0.00 0.00 178.83 177.62 3dj4 h ARG 463 N -0.19 0.45 0.00 1.46 3.08 -1.23 -3.30 114.38 114.66 3dj4 h ARG 463 Ca 0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3dj4 h ARG 463 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3dj4 h ARG 463 CO -0.19 0.70 -1.61 1.63 -1.07 0.00 0.00 179.97 179.43 3dj4 n LYS 464 N -4.56 0.49 -3.48 0.04 5.02 0.92 -4.49 118.16 112.09 3dj4 n LYS 464 Ca -0.04 -0.12 -0.27 0.00 -2.02 0.00 0.00 58.31 55.86 3dj4 n LYS 464 Cb 0.30 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.73 3dj4 n LYS 464 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dj4 n ARG 465 N -1.97 1.40 -0.47 1.97 5.12 -0.14 -5.03 116.66 117.55 3dj4 n ARG 465 Ca -0.01 -3.95 -0.05 0.00 -1.93 0.00 0.00 57.85 51.91 3dj4 n ARG 465 Cb 0.47 -1.88 -0.07 0.00 -1.16 0.00 0.00 32.46 29.81 3dj4 n ARG 465 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3dj4 n PRO 466 N 1.69 0.95 -3.55 5.56 -0.04 -1.24 -4.42 135.00 133.95 3dj4 n PRO 466 Ca 0.25 -0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 3dj4 n PRO 466 Cb 0.44 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 3dj4 n PRO 466 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dj4 s GLY 467 N 2.37 -0.37 0.00 0.55 0.00 -1.26 -5.00 107.32 103.61 3dj4 s GLY 467 Ca 0.28 1.69 0.00 0.00 0.00 0.00 0.00 44.72 46.69 3dj4 s GLY 467 CO 0.00 0.89 0.00 1.44 0.00 0.00 0.00 173.10 175.43 3dj4 n SER 468 N 0.59 0.00 0.29 1.64 7.64 -1.26 -3.77 113.62 118.74 3dj4 n SER 468 Ca -0.12 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.80 3dj4 n SER 468 Cb 0.58 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.97 3dj4 n SER 468 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3dj4 h PRO 469 N 0.00 0.00 -0.69 1.43 0.13 -1.99 0.70 132.00 131.58 3dj4 h PRO 469 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 3dj4 h PRO 469 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3dj4 h PRO 469 CO 0.00 0.00 0.48 0.00 -0.23 0.00 0.00 178.00 178.25 3dj4 h ALA 470 N 0.34 2.36 -3.04 -0.56 0.00 -1.77 -3.08 119.26 113.51 3dj4 h ALA 470 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 3dj4 h ALA 470 Cb 1.56 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.11 3dj4 h ALA 470 CO 0.00 -0.55 -0.65 0.00 0.00 0.00 0.00 179.25 178.04 3dj4 s ALA 471 N -5.21 3.06 -0.60 0.00 0.00 0.24 -2.79 121.76 116.47 3dj4 s ALA 471 Ca -0.06 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3dj4 s ALA 471 Cb 0.21 -1.88 0.16 0.00 0.00 0.00 0.00 23.12 21.60 3dj4 s ALA 471 CO 0.75 -0.31 0.40 -0.65 0.00 0.00 0.00 175.76 175.96 3dj4 s GLN 472 N 1.28 2.03 0.00 0.00 1.11 -1.17 -4.70 119.66 118.21 3dj4 s GLN 472 Ca 0.04 -2.89 0.28 0.00 0.01 0.00 0.00 55.36 52.80 3dj4 s GLN 472 Cb -0.15 -3.01 1.05 0.00 -1.01 0.00 0.00 33.01 29.90 3dj4 s GLN 472 CO 0.02 -1.25 1.74 0.00 0.01 0.00 0.00 175.29 175.81 3dj4 n ALA 473 N 2.48 2.85 1.43 6.09 0.00 -1.12 -5.12 120.51 127.12 3dj4 n ALA 473 Ca 0.17 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.40 3dj4 n ALA 473 Cb 0.36 -1.24 0.47 0.00 0.00 0.00 0.00 19.45 19.04 3dj4 n ALA 473 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93