#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2k n ILE 2 N 0.00 0.00 0.00 2.02 5.41 -1.26 -3.71 119.36 121.82 3a2k n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3a2k n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3a2k n ILE 2 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3a2k n ASP 3 N 0.33 1.58 -0.07 4.38 5.68 -1.26 -3.53 116.55 123.65 3a2k n ASP 3 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 3a2k n ASP 3 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3a2k n ASP 3 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3a2k h LYS 4 N 0.00 -0.14 0.00 0.11 1.57 -1.99 3.11 116.57 119.23 3a2k h LYS 4 Ca 0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3a2k h LYS 4 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3a2k h LYS 4 CO 0.00 -0.09 -0.41 -0.24 -0.57 0.00 0.00 179.45 178.13 3a2k h VAL 5 N -0.15 0.91 -0.14 0.50 3.04 -1.84 -0.89 116.25 117.69 3a2k h VAL 5 Ca 0.16 -1.68 -0.21 0.00 -1.01 0.00 0.00 66.70 63.95 3a2k h VAL 5 Cb 0.38 2.03 0.01 0.00 -2.01 0.00 0.00 31.29 31.70 3a2k h VAL 5 CO -0.39 0.41 -0.77 -0.09 -1.01 0.00 0.00 177.57 175.73 3a2k h ARG 6 N 0.00 0.71 0.20 4.17 2.43 -1.13 -1.74 114.38 119.02 3a2k h ARG 6 Ca -0.00 -0.58 0.01 0.00 -0.81 0.00 0.00 59.98 58.59 3a2k h ARG 6 Cb 1.00 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3a2k h ARG 6 CO 0.05 1.19 -0.21 0.00 -1.51 0.00 0.00 179.97 179.49 3a2k h ALA 7 N 0.64 -0.42 -0.85 2.80 0.00 0.58 -1.35 119.26 120.66 3a2k h ALA 7 Ca -0.05 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.02 3a2k h ALA 7 Cb 1.38 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 3a2k h ALA 7 CO 0.15 -0.77 0.25 0.35 0.00 0.00 0.00 179.25 179.23 3a2k h PHE 8 N -0.45 0.39 -0.97 0.00 3.57 -1.13 1.61 116.94 119.96 3a2k h PHE 8 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3a2k h PHE 8 Cb 0.43 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3a2k h PHE 8 CO -0.16 -0.15 0.63 0.82 -2.23 0.00 0.00 178.31 177.22 3a2k h ILE 9 N 0.26 1.26 0.01 1.41 1.08 -0.46 -2.00 117.51 119.06 3a2k h ILE 9 Ca 0.52 -0.49 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3a2k h ILE 9 Cb 1.00 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3a2k h ILE 9 CO -0.60 0.25 -0.00 -0.74 -0.69 0.00 0.00 178.15 176.37 3a2k h HIS 10 N 1.32 -0.01 -0.88 1.37 2.76 0.11 -0.17 115.15 119.65 3a2k h HIS 10 Ca 0.35 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.61 3a2k h HIS 10 Cb -0.13 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 28.73 3a2k h HIS 10 CO 0.00 0.79 -0.48 -2.13 -1.30 0.00 0.00 177.93 174.81 3a2k n ARG 11 N -4.69 -0.35 -0.49 5.26 0.00 0.50 -0.27 116.66 116.61 3a2k n ARG 11 Ca -0.09 1.33 0.07 0.00 -0.00 0.00 0.00 57.85 59.16 3a2k n ARG 11 Cb 0.39 -1.96 0.28 0.00 0.00 0.00 0.00 32.46 31.17 3a2k n ARG 11 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3a2k n HIS 12 N -5.14 1.19 0.00 -0.14 8.25 -0.76 -5.01 115.22 113.61 3a2k n HIS 12 Ca 0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3a2k n HIS 12 Cb 0.25 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3a2k n HIS 12 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3a2k n GLN 13 N 0.82 0.00 0.00 -0.41 -0.06 0.62 -4.39 117.38 113.96 3a2k n GLN 13 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 3a2k n GLN 13 Cb 0.73 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.91 3a2k n GLN 13 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3a2k n LEU 14 N 0.00 0.00 0.00 1.69 4.77 -1.26 -4.51 117.00 117.69 3a2k n LEU 14 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3a2k n LEU 14 Cb 0.00 -0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 3a2k n LEU 14 CO 0.00 0.00 -0.65 -0.07 -1.33 0.00 0.00 177.39 175.34 3a2k h LEU 15 N 0.00 0.27 -5.99 2.23 3.38 -1.77 -3.40 115.31 110.04 3a2k h LEU 15 Ca 0.00 -0.57 -0.61 0.00 0.09 0.00 0.00 57.88 56.79 3a2k h LEU 15 Cb 0.00 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 40.25 3a2k h LEU 15 CO 0.00 1.51 -0.51 -0.24 0.09 0.00 0.00 178.44 179.29 3a2k n SER 16 N -3.32 4.15 -3.33 -0.43 2.88 -1.26 -4.97 113.62 107.33 3a2k n SER 16 Ca -0.25 -3.52 -0.15 0.00 -1.33 0.00 0.00 58.87 53.62 3a2k n SER 16 Cb 1.05 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 63.76 3a2k n SER 16 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3a2k s GLU 17 N -2.80 0.69 0.00 -1.46 2.02 -1.26 -5.07 118.70 110.82 3a2k s GLU 17 Ca 0.42 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.54 3a2k s GLU 17 Cb 0.18 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.76 3a2k s GLU 17 CO -0.04 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.44 3a2k n GLY 18 N 4.15 -0.33 0.00 -1.39 0.00 -1.26 -4.99 105.19 101.37 3a2k n GLY 18 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3a2k n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2k n ALA 19 N -0.38 0.00 -3.87 4.61 0.00 -1.26 -4.75 120.51 114.87 3a2k n ALA 19 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3a2k n ALA 19 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3a2k n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a2k s ALA 20 N 0.00 1.48 0.10 0.00 0.00 -1.26 -1.37 121.76 120.71 3a2k s ALA 20 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.12 3a2k s ALA 20 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3a2k s ALA 20 CO 0.00 -0.97 -0.18 0.54 0.00 0.00 0.00 175.76 175.15 3a2k s VAL 21 N 1.63 1.55 -0.33 0.00 0.11 -1.13 -1.47 120.40 120.76 3a2k s VAL 21 Ca -0.01 -1.53 0.02 0.00 -2.93 0.00 0.00 61.98 57.52 3a2k s VAL 21 Cb -0.16 -1.46 0.10 0.00 -1.53 0.00 0.00 36.38 33.32 3a2k s VAL 21 CO -0.07 -0.15 0.07 -0.63 -3.33 0.00 0.00 175.10 170.99 3a2k s ILE 22 N -1.35 1.70 -0.44 7.04 1.01 -0.91 -2.66 121.20 125.60 3a2k s ILE 22 Ca 0.05 -1.97 -0.18 0.00 0.00 0.00 0.00 60.65 58.56 3a2k s ILE 22 Cb -0.09 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.14 3a2k s ILE 22 CO 0.04 -0.64 0.47 0.54 0.00 0.00 0.00 174.94 175.35 3a2k s VAL 23 N 1.18 5.06 0.66 2.92 0.11 -0.77 -2.24 120.40 127.32 3a2k s VAL 23 Ca 0.11 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 3a2k s VAL 23 Cb -0.18 -4.09 -0.01 0.00 -1.53 0.00 0.00 36.38 30.57 3a2k s VAL 23 CO -0.15 -0.49 1.05 -0.83 -3.33 0.00 0.00 175.10 171.34 3a2k s GLY 24 N 1.99 1.69 -0.18 6.54 0.00 -0.90 -2.16 107.32 114.29 3a2k s GLY 24 Ca 0.12 0.04 -0.14 0.00 0.00 0.00 0.00 44.72 44.74 3a2k s GLY 24 CO 0.13 0.33 0.47 0.14 0.00 0.00 0.00 173.10 174.18 3a2k s VAL 25 N -3.06 -0.01 0.00 1.40 1.01 -0.70 -4.63 120.40 114.41 3a2k s VAL 25 Ca 0.57 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3a2k s VAL 25 Cb -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3a2k s VAL 25 CO 0.53 0.01 0.00 -1.20 0.00 0.00 0.00 175.10 174.45 3a2k n SER 26 N 3.37 0.00 0.00 3.32 7.64 -1.26 -4.05 113.62 122.63 3a2k n SER 26 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 3a2k n SER 26 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3a2k n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a2k n GLY 27 N 3.93 0.00 0.00 0.23 0.00 -1.26 -4.88 105.19 103.21 3a2k n GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a2k n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2k n GLY 28 N 0.00 1.35 0.28 -0.02 0.00 -1.26 -4.73 105.19 100.81 3a2k n GLY 28 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 3a2k n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a2k n PRO 29 N 0.00 -0.29 0.43 1.61 -0.02 -1.26 -1.70 135.00 133.77 3a2k n PRO 29 Ca 0.00 1.01 -0.18 0.00 -2.02 0.00 0.00 63.50 62.31 3a2k n PRO 29 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.90 3a2k n PRO 29 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3a2k h ASP 30 N 0.00 -0.92 -0.61 2.55 3.32 -1.91 -3.10 116.42 115.75 3a2k h ASP 30 Ca 0.11 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3a2k h ASP 30 Cb 0.28 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3a2k h ASP 30 CO -0.63 -0.60 0.31 0.77 -1.72 0.00 0.00 179.24 177.37 3a2k h SER 31 N -1.19 0.81 -0.24 6.45 4.64 -1.67 -2.42 113.55 119.94 3a2k h SER 31 Ca -0.11 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 3a2k h SER 31 Cb 0.84 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3a2k h SER 31 CO 0.18 0.68 0.04 -0.07 -0.87 0.00 0.00 176.83 176.80 3a2k h LEU 32 N 0.90 0.38 -0.75 5.97 3.38 -1.48 -3.14 115.31 120.57 3a2k h LEU 32 Ca 0.22 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.07 3a2k h LEU 32 Cb 0.08 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3a2k h LEU 32 CO -0.03 0.54 0.32 0.00 0.09 0.00 0.00 178.44 179.36 3a2k h ALA 33 N 0.86 1.06 -1.08 1.53 0.00 -1.35 -2.68 119.26 117.59 3a2k h ALA 33 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3a2k h ALA 33 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3a2k h ALA 33 CO 0.00 -0.17 0.00 -0.11 0.00 0.00 0.00 179.25 178.97 3a2k n LEU 34 N -4.96 0.00 -0.11 0.00 0.00 -1.12 -2.13 117.00 108.68 3a2k n LEU 34 Ca 0.14 0.82 -0.03 0.00 0.00 0.00 0.00 56.01 56.94 3a2k n LEU 34 Cb 0.39 -0.32 -0.03 0.00 0.00 0.00 0.00 43.42 43.46 3a2k n LEU 34 CO 0.20 -0.32 0.16 0.18 0.00 0.00 0.00 177.39 177.61 3a2k n LEU 35 N -1.90 -0.28 -0.16 -1.96 7.99 -1.12 -0.33 117.00 119.24 3a2k n LEU 35 Ca 0.00 0.53 -0.07 0.00 -0.01 0.00 0.00 56.01 56.46 3a2k n LEU 35 Cb 0.00 -0.09 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 3a2k n LEU 35 CO 0.00 -0.41 0.49 -0.74 -1.51 0.00 0.00 177.39 175.22 3a2k h HIS 36 N 0.00 -1.03 -0.23 -1.77 2.76 -1.20 0.51 115.15 114.19 3a2k h HIS 36 Ca 0.04 0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3a2k h HIS 36 Cb 0.11 0.50 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 3a2k h HIS 36 CO -0.33 -0.25 0.16 0.28 -1.30 0.00 0.00 177.93 176.48 3a2k h VAL 37 N -0.12 1.04 0.70 5.26 2.07 -0.20 -2.08 116.25 122.92 3a2k h VAL 37 Ca 0.07 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3a2k h VAL 37 Cb 0.29 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3a2k h VAL 37 CO -0.43 0.05 -0.34 0.15 0.02 0.00 0.00 177.57 177.02 3a2k h PHE 38 N 0.29 -0.87 -0.93 1.57 3.57 0.16 -2.51 116.94 118.21 3a2k h PHE 38 Ca 0.09 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.67 3a2k h PHE 38 Cb 0.01 0.29 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 3a2k h PHE 38 CO -0.00 -0.54 -0.51 1.28 -2.23 0.00 0.00 178.31 176.31 3a2k n LEU 39 N -5.06 -0.90 -0.28 0.59 4.77 0.16 -0.66 117.00 115.61 3a2k n LEU 39 Ca -0.12 1.65 -0.01 0.00 -0.03 0.00 0.00 56.01 57.50 3a2k n LEU 39 Cb 0.37 -0.25 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 3a2k n LEU 39 CO 0.28 -1.37 1.16 0.77 -1.33 0.00 0.00 177.39 176.90 3a2k h SER 40 N 0.00 0.76 0.81 -1.43 4.64 -1.49 -1.99 113.55 114.84 3a2k h SER 40 Ca 0.19 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3a2k h SER 40 Cb 0.42 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3a2k h SER 40 CO -0.89 0.50 -0.13 0.18 -0.87 0.00 0.00 176.83 175.62 3a2k n LEU 41 N -4.66 0.16 0.05 5.97 7.99 -0.43 -2.48 117.00 123.60 3a2k n LEU 41 Ca 0.10 0.33 -0.16 0.00 -0.01 0.00 0.00 56.01 56.27 3a2k n LEU 41 Cb 0.14 -0.40 -0.14 0.00 -0.11 0.00 0.00 43.42 42.91 3a2k n LEU 41 CO 0.31 0.04 -0.39 0.03 -1.51 0.00 0.00 177.39 175.88 3a2k h ARG 42 N 0.04 0.23 0.36 3.23 3.08 -0.16 -1.47 114.38 119.70 3a2k h ARG 42 Ca 0.00 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3a2k h ARG 42 Cb 0.48 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3a2k h ARG 42 CO 0.00 1.07 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.35 3a2k h ASP 43 N 0.06 -0.41 -0.14 7.04 5.19 -1.51 -1.02 116.42 125.64 3a2k h ASP 43 Ca -0.26 -0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.18 3a2k h ASP 43 Cb 2.01 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.62 3a2k h ASP 43 CO 0.15 -0.27 0.29 -0.08 -3.12 0.00 0.00 179.24 176.21 3a2k h GLU 44 N -0.52 0.00 -0.02 3.56 4.81 -1.51 -3.10 114.58 117.80 3a2k h GLU 44 Ca -0.05 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 3a2k h GLU 44 Cb 0.39 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.47 3a2k h GLU 44 CO 0.08 0.00 -0.92 0.91 -0.73 0.00 0.00 179.01 178.35 3a2k n TRP 45 N -3.31 0.06 -1.77 0.92 5.03 -0.55 -5.06 117.44 112.77 3a2k n TRP 45 Ca 0.01 -0.78 -0.02 0.00 3.03 0.00 0.00 57.50 59.74 3a2k n TRP 45 Cb 0.39 -0.18 0.01 0.00 -1.03 0.00 0.00 31.31 30.50 3a2k n TRP 45 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 3a2k n LYS 46 N 0.11 -0.32 -3.67 -0.99 4.81 -0.69 -4.77 118.16 112.65 3a2k n LYS 46 Ca 0.09 0.09 -0.12 0.00 -0.87 0.00 0.00 58.31 57.50 3a2k n LYS 46 Cb 1.04 -2.11 -0.08 0.00 0.02 0.00 0.00 35.03 33.89 3a2k n LYS 46 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3a2k s LEU 47 N -3.10 -0.39 -0.42 3.14 1.02 -0.47 -4.14 118.68 114.32 3a2k s LEU 47 Ca 0.04 1.22 -0.15 0.00 0.02 0.00 0.00 54.13 55.26 3a2k s LEU 47 Cb -0.01 2.00 0.03 0.00 0.02 0.00 0.00 46.19 48.24 3a2k s LEU 47 CO 0.08 -0.21 0.31 -1.58 0.02 0.00 0.00 176.35 174.97 3a2k s GLN 48 N 0.79 2.95 0.22 1.70 0.74 -0.47 -4.46 119.66 121.12 3a2k s GLN 48 Ca -0.04 -1.10 -0.19 0.00 0.05 0.00 0.00 55.36 54.08 3a2k s GLN 48 Cb -0.05 -3.99 -0.08 0.00 1.10 0.00 0.00 33.01 29.99 3a2k s GLN 48 CO -0.06 -0.81 0.70 0.08 -0.55 0.00 0.00 175.29 174.65 3a2k s VAL 49 N 1.66 4.61 -0.27 1.34 1.01 -1.26 -2.85 120.40 124.63 3a2k s VAL 49 Ca 0.05 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3a2k s VAL 49 Cb -0.20 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.46 3a2k s VAL 49 CO 0.09 0.19 0.21 -0.63 0.00 0.00 0.00 175.10 174.97 3a2k s ILE 50 N -1.54 -0.25 0.50 2.22 1.01 -1.09 -4.38 121.20 117.68 3a2k s ILE 50 Ca 0.43 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 3a2k s ILE 50 Cb -0.16 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 3a2k s ILE 50 CO 0.21 -0.53 1.25 0.00 0.00 0.00 0.00 174.94 175.87 3a2k s ALA 51 N 2.25 2.89 -0.23 9.38 0.00 -0.96 -1.84 121.76 133.24 3a2k s ALA 51 Ca 0.09 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 3a2k s ALA 51 Cb -0.15 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 19.62 3a2k s ALA 51 CO -0.31 -0.99 0.38 0.00 0.00 0.00 0.00 175.76 174.84 3a2k s ALA 52 N -1.44 -1.09 -0.05 0.00 0.00 -0.92 -1.62 121.76 116.64 3a2k s ALA 52 Ca 0.68 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.71 3a2k s ALA 52 Cb -0.34 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.21 3a2k s ALA 52 CO 0.40 -1.13 -0.11 -1.58 0.00 0.00 0.00 175.76 173.34 3a2k s HIS 53 N 2.56 1.28 -0.05 0.00 5.65 -1.15 -1.72 115.29 121.85 3a2k s HIS 53 Ca 0.09 -0.41 0.02 0.00 0.25 0.00 0.00 55.06 55.01 3a2k s HIS 53 Cb -0.15 -0.93 -0.03 0.00 -1.18 0.00 0.00 32.58 30.29 3a2k s HIS 53 CO -0.15 -0.20 -0.09 0.54 -0.65 0.00 0.00 174.74 174.19 3a2k s VAL 54 N 0.47 3.54 -0.20 0.89 0.11 -1.26 -2.64 120.40 121.31 3a2k s VAL 54 Ca -0.10 -0.58 -0.06 0.00 -2.93 0.00 0.00 61.98 58.32 3a2k s VAL 54 Cb -0.13 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 3a2k s VAL 54 CO 0.02 0.57 0.02 -0.62 -3.33 0.00 0.00 175.10 171.76 3a2k s ASP 55 N -0.87 5.00 0.70 3.54 2.15 -1.04 -4.91 116.67 121.24 3a2k s ASP 55 Ca 0.13 -0.15 -0.02 0.00 0.43 0.00 0.00 52.55 52.94 3a2k s ASP 55 Cb -0.11 -1.86 0.11 0.00 -0.30 0.00 0.00 42.92 40.76 3a2k s ASP 55 CO 0.02 0.08 0.97 -1.38 -0.17 0.00 0.00 175.17 174.69 3a2k s HIS 56 N 0.92 1.94 -0.15 -5.34 0.00 -1.26 -0.73 115.29 110.66 3a2k s HIS 56 Ca 0.02 -0.13 -0.17 0.00 -3.00 0.00 0.00 55.06 51.78 3a2k s HIS 56 Cb -0.14 -3.03 -0.04 0.00 -4.00 0.00 0.00 32.58 25.37 3a2k s HIS 56 CO 0.02 -1.58 0.43 1.41 -1.00 0.00 0.00 174.74 174.03 3a2k s MET 57 N -5.12 4.28 0.00 -0.38 1.75 -1.20 -4.28 119.30 114.35 3a2k s MET 57 Ca 0.64 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 55.42 3a2k s MET 57 Cb -0.07 -3.47 0.00 0.00 2.84 0.00 0.00 34.83 34.13 3a2k s MET 57 CO 0.44 0.09 0.00 1.97 -0.65 0.00 0.00 175.02 176.87 3a2k n PHE 58 N 3.95 0.00 -2.13 4.11 1.16 -1.26 -4.99 117.46 118.31 3a2k n PHE 58 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 3a2k n PHE 58 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 3a2k n PHE 58 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 3a2k n ARG 59 N 0.00 0.00 0.00 3.97 0.63 -1.26 -4.96 116.66 115.04 3a2k n ARG 59 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3a2k n ARG 59 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3a2k n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3a2k n GLY 60 N 0.00 0.55 0.26 5.14 0.00 -1.26 -3.39 105.19 106.49 3a2k n GLY 60 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.24 3a2k n GLY 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a2k h ARG 61 N 0.00 0.00 0.73 1.61 0.11 -2.00 -3.18 114.38 111.65 3a2k h ARG 61 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3a2k h ARG 61 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 3a2k h ARG 61 CO 0.00 0.12 -0.35 0.93 0.10 0.00 0.00 179.97 180.77 3a2k h GLU 62 N 0.00 -0.94 -0.46 0.08 3.07 -1.94 -0.88 114.58 113.50 3a2k h GLU 62 Ca -0.00 0.06 0.09 0.00 -0.50 0.00 0.00 59.36 59.02 3a2k h GLU 62 Cb 0.29 0.21 -0.10 0.00 -0.84 0.00 0.00 28.75 28.31 3a2k h GLU 62 CO 0.02 -0.63 -0.27 0.66 -1.40 0.00 0.00 179.01 177.38 3a2k h SER 63 N -1.17 -0.93 0.27 1.42 4.64 -1.64 -1.55 113.55 114.59 3a2k h SER 63 Ca -0.10 0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3a2k h SER 63 Cb 0.75 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3a2k h SER 63 CO 0.16 -0.28 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.38 3a2k h GLU 64 N -0.17 -0.35 -0.09 4.77 5.08 -1.61 -2.03 114.58 120.17 3a2k h GLU 64 Ca 0.21 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3a2k h GLU 64 Cb 0.51 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3a2k h GLU 64 CO -0.56 -0.24 -0.38 0.93 -1.00 0.00 0.00 179.01 177.76 3a2k h GLU 65 N -0.71 -0.46 -0.29 2.33 5.08 -1.18 0.27 114.58 119.62 3a2k h GLU 65 Ca -0.04 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3a2k h GLU 65 Cb 0.28 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3a2k h GLU 65 CO 0.06 -0.31 -0.30 0.93 -1.00 0.00 0.00 179.01 178.40 3a2k h GLU 66 N -0.48 -0.15 -0.56 2.33 5.08 -1.41 -1.33 114.58 118.06 3a2k h GLU 66 Ca 0.08 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 3a2k h GLU 66 Cb 0.60 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 3a2k h GLU 66 CO -0.35 -0.10 0.12 1.98 -1.00 0.00 0.00 179.01 179.66 3a2k h MET 67 N -0.16 0.25 0.00 2.33 4.05 -0.45 -2.51 114.93 118.44 3a2k h MET 67 Ca 0.05 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.33 3a2k h MET 67 Cb 0.29 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3a2k h MET 67 CO -0.36 0.16 -0.58 0.93 0.23 0.00 0.00 176.91 177.30 3a2k h GLU 68 N 0.26 0.00 0.00 0.39 5.08 -0.31 -2.81 114.58 117.19 3a2k h GLU 68 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3a2k h GLU 68 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3a2k h GLU 68 CO -0.37 0.58 -0.19 1.19 -1.00 0.00 0.00 179.01 179.22 3a2k n PHE 69 N -3.51 0.63 -0.02 4.33 3.01 -0.52 -1.43 117.46 119.96 3a2k n PHE 69 Ca -0.00 0.18 -0.16 0.00 1.01 0.00 0.00 57.45 58.48 3a2k n PHE 69 Cb 0.66 -0.76 -0.13 0.00 -0.01 0.00 0.00 39.48 39.24 3a2k n PHE 69 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 3a2k h VAL 70 N 0.00 1.62 -0.53 -4.37 -1.51 -1.50 -3.26 116.25 106.70 3a2k h VAL 70 Ca 0.00 -2.27 0.09 0.00 -1.23 0.00 0.00 66.70 63.29 3a2k h VAL 70 Cb 0.69 3.12 -0.11 0.00 -2.13 0.00 0.00 31.29 32.86 3a2k h VAL 70 CO 0.00 0.62 -0.35 0.11 -1.23 0.00 0.00 177.57 176.71 3a2k h LYS 71 N -0.63 -0.20 0.00 5.19 1.79 -1.19 0.35 116.57 121.88 3a2k h LYS 71 Ca -0.05 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3a2k h LYS 71 Cb 1.20 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3a2k h LYS 71 CO 0.07 -0.13 0.00 2.89 -1.08 0.00 0.00 179.45 181.19 3a2k n ARG 72 N -5.42 0.09 0.03 3.15 1.85 -0.51 -2.24 116.66 113.60 3a2k n ARG 72 Ca 0.03 0.37 -0.22 0.00 -1.00 0.00 0.00 57.85 57.03 3a2k n ARG 72 Cb 0.35 -1.69 -0.14 0.00 -1.05 0.00 0.00 32.46 29.93 3a2k n ARG 72 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3a2k h PHE 73 N 0.00 0.56 -0.65 2.89 3.57 -0.44 -2.40 116.94 120.47 3a2k h PHE 73 Ca 0.00 -0.41 0.10 0.00 3.53 0.00 0.00 57.97 61.20 3a2k h PHE 73 Cb 0.26 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 3a2k h PHE 73 CO 0.00 1.70 0.26 0.00 -2.23 0.00 0.00 178.31 178.04 3a2k h VAL 75 N 0.44 1.21 0.00 0.00 -1.51 -1.65 0.80 116.25 115.55 3a2k h VAL 75 Ca 0.33 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3a2k h VAL 75 Cb 0.43 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3a2k h VAL 75 CO -0.32 0.19 0.19 -0.62 -1.23 0.00 0.00 177.57 175.78 3a2k n GLU 76 N -4.95 0.03 -2.37 5.19 1.02 -0.69 -0.89 120.64 117.98 3a2k n GLU 76 Ca -0.08 0.40 0.01 0.00 -0.02 0.00 0.00 57.16 57.46 3a2k n GLU 76 Cb 0.19 -1.77 0.04 0.00 -0.02 0.00 0.00 31.44 29.88 3a2k n GLU 76 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3a2k n ARG 77 N -1.53 1.13 -3.82 3.49 1.74 -0.65 -5.05 116.66 111.98 3a2k n ARG 77 Ca -0.00 -2.77 -0.31 0.00 -0.77 0.00 0.00 57.85 54.00 3a2k n ARG 77 Cb 0.19 -0.88 0.01 0.00 -1.02 0.00 0.00 32.46 30.77 3a2k n ARG 77 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3a2k n ARG 78 N -0.35 -1.04 -4.21 5.56 1.74 -0.07 -4.96 116.66 113.33 3a2k n ARG 78 Ca 0.03 0.54 -0.21 0.00 -0.77 0.00 0.00 57.85 57.44 3a2k n ARG 78 Cb 0.90 -2.89 -0.16 0.00 -1.02 0.00 0.00 32.46 29.29 3a2k n ARG 78 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3a2k s ILE 79 N -3.24 0.67 0.00 0.55 1.01 0.27 -5.00 121.20 115.45 3a2k s ILE 79 Ca 0.23 -0.18 -0.33 0.00 0.00 0.00 0.00 60.65 60.37 3a2k s ILE 79 Cb -0.12 -0.68 -0.12 0.00 0.01 0.00 0.00 42.46 41.56 3a2k s ILE 79 CO 0.91 0.26 1.84 -0.11 0.00 0.00 0.00 174.94 177.84 3a2k n LEU 80 N 4.11 3.59 -3.07 2.97 7.94 -1.26 -4.46 117.00 126.81 3a2k n LEU 80 Ca -0.23 0.98 -0.32 0.00 -1.11 0.00 0.00 56.01 55.33 3a2k n LEU 80 Cb 0.51 -1.43 -0.01 0.00 0.53 0.00 0.00 43.42 43.02 3a2k n LEU 80 CO 0.23 -0.02 0.67 0.00 -1.11 0.00 0.00 177.39 177.16 3a2k n GLU 82 N -0.26 0.47 -4.01 0.00 4.07 -0.64 -4.87 120.64 115.40 3a2k n GLU 82 Ca 0.39 0.06 -0.21 0.00 -0.06 0.00 0.00 57.16 57.34 3a2k n GLU 82 Cb 0.38 -2.16 -0.03 0.00 -0.06 0.00 0.00 31.44 29.57 3a2k n GLU 82 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3a2k s THR 83 N 9.02 4.62 0.21 6.31 2.01 -1.26 -2.94 115.64 133.60 3a2k s THR 83 Ca 1.20 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 3a2k s THR 83 Cb -0.95 -3.53 0.07 0.00 0.01 0.00 0.00 72.50 68.09 3a2k s THR 83 CO 0.46 -0.32 0.96 0.00 -0.69 0.00 0.00 174.62 175.03 3a2k n ALA 84 N -1.30 -2.46 -3.64 7.40 0.00 -1.08 -4.96 120.51 114.47 3a2k n ALA 84 Ca -0.07 -1.03 -0.07 0.00 0.00 0.00 0.00 53.44 52.26 3a2k n ALA 84 Cb 0.58 0.62 -0.07 0.00 0.00 0.00 0.00 19.45 20.58 3a2k n ALA 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3a2k s GLN 85 N -2.05 0.53 -0.08 0.00 0.74 -1.26 -2.49 119.66 115.05 3a2k s GLN 85 Ca 0.21 0.75 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 3a2k s GLN 85 Cb -0.03 0.20 0.03 0.00 1.10 0.00 0.00 33.01 34.31 3a2k s GLN 85 CO 0.06 -0.08 -0.01 0.42 -0.55 0.00 0.00 175.29 175.13 3a2k s ILE 86 N 0.76 0.49 -0.31 -2.34 1.01 0.09 -4.91 121.20 115.99 3a2k s ILE 86 Ca -0.03 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.77 3a2k s ILE 86 Cb -0.05 -0.62 0.56 0.00 0.01 0.00 0.00 42.46 42.37 3a2k s ILE 86 CO -0.10 0.28 1.58 0.47 0.00 0.00 0.00 174.94 177.17 3a2k n ASP 87 N 5.11 3.09 -1.77 3.58 8.00 -1.26 -3.22 116.55 130.08 3a2k n ASP 87 Ca -0.08 -3.61 0.02 0.00 0.71 0.00 0.00 54.79 51.83 3a2k n ASP 87 Cb 0.50 -0.67 0.32 0.00 -0.02 0.00 0.00 41.12 41.25 3a2k n ASP 87 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3a2k n VAL 88 N -0.98 2.48 -0.28 2.53 0.24 -1.26 -4.01 118.33 117.05 3a2k n VAL 88 Ca 0.38 -1.28 0.06 0.00 -2.04 0.00 0.00 64.34 61.45 3a2k n VAL 88 Cb 1.18 -0.35 0.16 0.00 -1.47 0.00 0.00 33.84 33.36 3a2k n VAL 88 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3a2k h PRO 89 N 3.05 0.06 0.00 7.34 0.11 -1.95 2.24 132.00 142.86 3a2k h PRO 89 Ca 0.09 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3a2k h PRO 89 Cb 1.93 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 33.02 3a2k h PRO 89 CO 0.52 0.04 -0.04 0.00 -0.21 0.00 0.00 178.00 178.31 3a2k h ALA 90 N 1.77 1.80 0.00 -0.75 0.00 -1.96 0.08 119.26 120.20 3a2k h ALA 90 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3a2k h ALA 90 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3a2k h ALA 90 CO -0.74 0.05 -1.47 0.34 0.00 0.00 0.00 179.25 177.43 3a2k n PHE 91 N -4.30 0.00 -0.02 0.00 7.35 -0.75 -3.23 117.46 116.52 3a2k n PHE 91 Ca -0.03 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.53 3a2k n PHE 91 Cb 0.12 -0.24 -0.10 0.00 0.35 0.00 0.00 39.48 39.61 3a2k n PHE 91 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3a2k h GLN 92 N 0.00 -0.04 0.00 -4.13 5.75 0.45 -2.95 115.11 114.19 3a2k h GLN 92 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a2k h GLN 92 Cb 0.73 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3a2k h GLN 92 CO 0.00 0.59 0.00 0.54 -2.65 0.00 0.00 178.83 177.31 3a2k n ARG 93 N -4.79 0.03 -0.06 1.69 1.74 -0.05 0.31 116.66 115.52 3a2k n ARG 93 Ca -0.09 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.39 3a2k n ARG 93 Cb 0.32 -1.56 0.42 0.00 -1.02 0.00 0.00 32.46 30.62 3a2k n ARG 93 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3a2k n SER 94 N -1.62 1.56 -0.00 0.55 2.88 -1.16 -3.65 113.62 112.18 3a2k n SER 94 Ca 0.03 -1.64 0.03 0.00 -1.33 0.00 0.00 58.87 55.96 3a2k n SER 94 Cb 0.17 -0.08 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 3a2k n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a2k n ALA 95 N 0.24 2.73 0.00 -1.46 0.00 0.15 -5.02 120.51 117.15 3a2k n ALA 95 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3a2k n ALA 95 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3a2k n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2k n GLY 96 N 1.25 1.22 1.79 0.00 0.00 -1.04 -5.10 105.19 103.30 3a2k n GLY 96 Ca 0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 3a2k n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a2k n LEU 97 N 0.00 0.00 0.00 0.99 7.99 -1.26 -5.01 117.00 119.71 3a2k n LEU 97 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 56.01 54.75 3a2k n LEU 97 Cb 0.00 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 3a2k n LEU 97 CO 0.00 -0.50 0.00 0.61 -1.51 0.00 0.00 177.39 175.99 3a2k n GLY 98 N 1.82 1.12 0.00 -0.72 0.00 -1.26 -4.51 105.19 101.64 3a2k n GLY 98 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3a2k n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2k n ALA 99 N -3.00 1.46 0.33 4.61 0.00 -1.26 -4.71 120.51 117.94 3a2k n ALA 99 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3a2k n ALA 99 Cb 0.00 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.27 3a2k n ALA 99 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3a2k h GLN 100 N 0.00 0.00 0.50 0.00 1.08 -2.00 -0.43 115.11 114.26 3a2k h GLN 100 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3a2k h GLN 100 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3a2k h GLN 100 CO 0.00 0.00 -0.24 0.93 -0.95 0.00 0.00 178.83 178.57 3a2k h GLU 101 N 0.00 -0.65 -1.37 1.46 3.07 -1.99 -2.79 114.58 112.31 3a2k h GLU 101 Ca 0.00 0.04 0.40 0.00 -0.50 0.00 0.00 59.36 59.30 3a2k h GLU 101 Cb 0.64 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.64 3a2k h GLU 101 CO 0.00 -0.43 1.07 0.00 -1.40 0.00 0.00 179.01 178.25 3a2k h ALA 102 N -1.67 3.27 -1.88 3.43 0.00 -1.37 -0.91 119.26 120.13 3a2k h ALA 102 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a2k h ALA 102 Cb 0.51 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3a2k h ALA 102 CO 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 179.25 177.59 3a2k n ALA 103 N -2.71 -0.14 -0.20 0.00 0.00 -1.07 -1.45 120.51 114.95 3a2k n ALA 103 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 3a2k n ALA 103 Cb 1.50 0.09 0.19 0.00 0.00 0.00 0.00 19.45 21.23 3a2k n ALA 103 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3a2k h ARG 104 N 0.00 0.98 -0.34 0.00 -0.00 -1.11 0.35 114.38 114.26 3a2k h ARG 104 Ca 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.98 59.84 3a2k h ARG 104 Cb 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.97 29.77 3a2k h ARG 104 CO 0.00 0.75 0.15 -0.84 -0.00 0.00 0.00 179.97 180.03 3a2k h ILE 105 N 0.98 1.17 0.23 0.08 3.07 -1.28 0.30 117.51 122.05 3a2k h ILE 105 Ca 0.24 -0.50 -0.01 0.00 1.55 0.00 0.00 64.86 66.14 3a2k h ILE 105 Cb 0.09 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 3a2k h ILE 105 CO -0.03 0.18 -0.11 0.00 -1.05 0.00 0.00 178.15 177.14 3a2k h ARG 107 N -0.99 -0.01 -0.43 0.00 2.43 -0.32 -1.05 114.38 114.01 3a2k h ARG 107 Ca -0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3a2k h ARG 107 Cb 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3a2k h ARG 107 CO 0.05 -0.00 -0.10 1.88 -1.51 0.00 0.00 179.97 180.29 3a2k h TYR 108 N -0.01 0.94 -1.08 2.20 0.99 -0.41 -1.70 116.97 117.90 3a2k h TYR 108 Ca 0.29 -0.20 0.31 0.00 2.00 0.00 0.00 58.73 61.13 3a2k h TYR 108 Cb 0.55 -0.23 -0.12 0.00 1.00 0.00 0.00 36.73 37.93 3a2k h TYR 108 CO -0.91 0.94 0.67 -0.09 -0.00 0.00 0.00 178.16 178.77 3a2k h ARG 109 N 0.66 0.34 0.20 4.88 2.43 0.37 0.15 114.38 123.41 3a2k h ARG 109 Ca 0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3a2k h ARG 109 Cb 0.63 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3a2k h ARG 109 CO 0.04 0.22 -0.09 0.35 -1.51 0.00 0.00 179.97 178.98 3a2k h PHE 110 N 0.35 -0.25 -0.93 2.20 3.04 -0.42 -2.67 116.94 118.26 3a2k h PHE 110 Ca 0.68 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.87 3a2k h PHE 110 Cb 1.72 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 40.25 3a2k h PHE 110 CO -0.01 0.16 0.63 0.74 -2.02 0.00 0.00 178.31 177.82 3a2k h PHE 111 N -0.85 0.35 -0.34 0.41 -1.00 -0.57 0.88 116.94 115.81 3a2k h PHE 111 Ca -0.03 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3a2k h PHE 111 Cb 0.52 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 3a2k h PHE 111 CO 0.07 0.07 0.15 0.00 -1.61 0.00 0.00 178.31 176.99 3a2k h ALA 112 N 1.58 0.45 -0.10 2.45 0.00 -0.58 1.00 119.26 124.06 3a2k h ALA 112 Ca 0.48 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.31 3a2k h ALA 112 Cb 1.45 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3a2k h ALA 112 CO -0.13 0.03 -0.27 0.93 0.00 0.00 0.00 179.25 179.81 3a2k h GLU 113 N 0.41 -0.34 -0.87 0.00 3.07 -0.52 -0.98 114.58 115.35 3a2k h GLU 113 Ca 0.12 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3a2k h GLU 113 Cb 0.16 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 3a2k h GLU 113 CO -0.01 -0.23 0.57 -0.07 -1.40 0.00 0.00 179.01 177.86 3a2k h LEU 114 N -0.36 1.01 -0.02 1.33 3.38 -0.77 0.57 115.31 120.45 3a2k h LEU 114 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a2k h LEU 114 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3a2k h LEU 114 CO -0.30 0.74 -0.04 -0.03 0.09 0.00 0.00 178.44 178.90 3a2k h MET 115 N 1.18 0.07 -0.38 1.13 4.05 -0.40 -1.64 114.93 118.94 3a2k h MET 115 Ca 0.32 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.58 3a2k h MET 115 Cb -0.12 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 3a2k h MET 115 CO -0.07 0.59 -0.21 1.49 0.23 0.00 0.00 176.91 178.94 3a2k h GLU 116 N -0.45 0.82 -0.55 0.39 4.81 -1.07 -2.29 114.58 116.24 3a2k h GLU 116 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3a2k h GLU 116 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3a2k h GLU 116 CO 0.01 1.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.92 3a2k n LYS 117 N -4.24 1.94 0.00 1.92 5.02 0.20 -3.54 118.16 119.46 3a2k n LYS 117 Ca -0.02 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 3a2k n LYS 117 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3a2k n LYS 117 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3a2k n HIS 118 N 0.22 0.00 -1.19 2.13 -0.00 -0.62 -4.94 115.22 110.82 3a2k n HIS 118 Ca 0.09 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.20 3a2k n HIS 118 Cb 0.39 0.02 -0.03 0.00 -0.12 0.00 0.00 29.99 30.25 3a2k n HIS 118 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3a2k n GLN 119 N 0.00 -1.73 -1.04 1.57 6.02 -0.93 -4.95 117.38 116.32 3a2k n GLN 119 Ca 0.00 0.72 -0.33 0.00 -0.01 0.00 0.00 57.00 57.38 3a2k n GLN 119 Cb 0.35 -5.11 0.13 0.00 1.02 0.00 0.00 30.24 26.63 3a2k n GLN 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a2k s ALA 120 N -1.61 1.78 -0.13 -1.58 0.00 -0.91 -4.90 121.76 114.41 3a2k s ALA 120 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3a2k s ALA 120 Cb 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 3a2k s ALA 120 CO 0.00 -2.36 -0.12 0.41 0.00 0.00 0.00 175.76 173.68 3a2k n GLY 121 N 0.33 -0.19 3.66 0.00 0.00 -0.54 -4.70 105.19 103.76 3a2k n GLY 121 Ca 0.13 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3a2k n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a2k s TYR 122 N -2.26 2.87 -0.13 1.61 4.12 -0.80 -1.77 117.35 120.99 3a2k s TYR 122 Ca -0.18 -0.12 -0.01 0.00 0.02 0.00 0.00 57.07 56.78 3a2k s TYR 122 Cb 0.05 -1.41 0.04 0.00 -1.52 0.00 0.00 41.96 39.11 3a2k s TYR 122 CO 0.30 0.50 -0.01 0.08 0.02 0.00 0.00 175.55 176.44 3a2k s VAL 123 N -1.61 0.65 -0.05 0.71 1.01 -0.92 -2.13 120.40 118.06 3a2k s VAL 123 Ca 0.27 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3a2k s VAL 123 Cb -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3a2k s VAL 123 CO 0.18 0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.37 3a2k s ALA 124 N 1.84 3.05 0.02 5.51 0.00 -0.95 -1.19 121.76 130.04 3a2k s ALA 124 Ca 0.03 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3a2k s ALA 124 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3a2k s ALA 124 CO -0.07 0.59 -0.11 0.08 0.00 0.00 0.00 175.76 176.25 3a2k s VAL 125 N -0.89 0.88 -0.19 0.00 1.01 -0.75 -2.13 120.40 118.34 3a2k s VAL 125 Ca 0.14 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3a2k s VAL 125 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3a2k s VAL 125 CO 0.04 0.05 1.04 -0.83 0.00 0.00 0.00 175.10 175.39 3a2k s GLY 126 N -0.79 1.89 -0.20 4.51 0.00 -1.26 -4.22 107.32 107.24 3a2k s GLY 126 Ca 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.95 3a2k s GLY 126 CO 0.00 2.12 0.03 0.30 0.00 0.00 0.00 173.10 175.56 3a2k s HIS 127 N 2.86 1.12 0.53 1.90 3.76 -1.26 -4.98 115.29 119.22 3a2k s HIS 127 Ca 0.46 -0.93 -0.15 0.00 -0.15 0.00 0.00 55.06 54.29 3a2k s HIS 127 Cb -0.16 -1.07 -0.07 0.00 1.11 0.00 0.00 32.58 32.39 3a2k s HIS 127 CO 0.10 -0.62 0.98 -3.38 -0.85 0.00 0.00 174.74 170.96 3a2k s HIS 128 N 1.82 3.49 0.58 1.40 -3.43 -1.25 -0.33 115.29 117.57 3a2k s HIS 128 Ca -0.01 1.40 0.33 0.00 -0.80 0.00 0.00 55.06 55.97 3a2k s HIS 128 Cb -0.17 -2.75 1.37 0.00 -1.43 0.00 0.00 32.58 29.60 3a2k s HIS 128 CO -0.08 -0.42 1.67 0.78 -2.00 0.00 0.00 174.74 174.70 3a2k h GLY 129 N 0.68 0.00 0.84 -1.38 0.00 -1.25 1.52 103.07 103.48 3a2k h GLY 129 Ca -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3a2k h GLY 129 CO 0.62 0.00 -0.36 -0.55 0.00 0.00 0.00 176.54 176.25 3a2k h ASP 130 N 0.00 0.57 -0.86 0.19 5.19 -1.89 -1.11 116.42 118.50 3a2k h ASP 130 Ca 0.46 -0.58 0.21 0.00 -0.62 0.00 0.00 57.03 56.51 3a2k h ASP 130 Cb 2.23 -0.16 -0.13 0.00 0.18 0.00 0.00 39.33 41.45 3a2k h ASP 130 CO -0.00 1.04 0.30 0.44 -3.12 0.00 0.00 179.24 177.89 3a2k h ASP 131 N 0.12 0.16 0.62 6.45 3.32 0.18 -1.49 116.42 125.78 3a2k h ASP 131 Ca -0.00 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3a2k h ASP 131 Cb 0.97 0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.71 3a2k h ASP 131 CO 0.08 -0.06 -0.30 -0.61 -1.72 0.00 0.00 179.24 176.63 3a2k h GLN 132 N 0.31 -0.81 0.00 3.56 5.75 -0.97 -1.96 115.11 120.99 3a2k h GLN 132 Ca 0.53 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 3a2k h GLN 132 Cb 1.01 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.74 3a2k h GLN 132 CO -0.57 -0.54 0.00 0.28 -2.65 0.00 0.00 178.83 175.36 3a2k n VAL 133 N -4.41 0.00 -0.04 2.39 0.31 -0.44 -0.22 118.33 115.92 3a2k n VAL 133 Ca -0.10 1.17 -0.01 0.00 -0.01 0.00 0.00 64.34 65.38 3a2k n VAL 133 Cb 0.33 -1.62 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 3a2k n VAL 133 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a2k n GLU 134 N -2.14 -0.04 0.05 5.55 1.02 -0.60 0.30 120.64 124.77 3a2k n GLU 134 Ca 0.00 0.18 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 3a2k n GLU 134 Cb 0.00 -0.27 0.28 0.00 -0.02 0.00 0.00 31.44 31.43 3a2k n GLU 134 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3a2k h THR 135 N 0.00 1.23 0.90 2.62 2.02 0.22 0.52 112.91 120.42 3a2k h THR 135 Ca 0.02 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 3a2k h THR 135 Cb 0.04 1.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3a2k h THR 135 CO -0.09 0.33 -0.43 0.40 0.37 0.00 0.00 175.52 176.09 3a2k h ILE 136 N 0.36 0.12 0.50 3.11 1.08 0.15 0.83 117.51 123.66 3a2k h ILE 136 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 3a2k h ILE 136 Cb 0.52 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3a2k h ILE 136 CO 0.03 0.00 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.18 3a2k h LEU 137 N -1.21 -0.57 -0.65 1.44 4.07 -1.35 1.19 115.31 118.22 3a2k h LEU 137 Ca -0.12 -0.03 0.16 0.00 0.08 0.00 0.00 57.88 57.96 3a2k h LEU 137 Cb 0.93 0.15 -0.12 0.00 1.08 0.00 0.00 40.66 42.69 3a2k h LEU 137 CO 0.20 -0.33 -0.07 0.80 -1.08 0.00 0.00 178.44 177.97 3a2k n MET 138 N -5.34 -0.05 0.00 1.13 1.56 0.16 0.02 117.12 114.60 3a2k n MET 138 Ca -0.12 0.99 0.11 0.00 -0.27 0.00 0.00 57.70 58.42 3a2k n MET 138 Cb 0.30 -1.54 0.02 0.00 2.15 0.00 0.00 33.22 34.16 3a2k n MET 138 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3a2k n ARG 139 N -4.95 0.05 0.07 2.12 5.12 0.28 -2.56 116.66 116.78 3a2k n ARG 139 Ca 0.13 -0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.92 3a2k n ARG 139 Cb 0.42 -1.51 -0.09 0.00 -1.16 0.00 0.00 32.46 30.13 3a2k n ARG 139 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3a2k h LEU 140 N 0.00 -0.17 0.00 0.55 7.12 0.53 -2.93 115.31 120.41 3a2k h LEU 140 Ca 0.00 -0.32 -0.00 0.00 0.13 0.00 0.00 57.88 57.68 3a2k h LEU 140 Cb 0.54 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 3a2k h LEU 140 CO 0.00 0.27 -0.10 -0.37 -0.13 0.00 0.00 178.44 178.11 3a2k h VAL 141 N -0.64 0.03 -0.03 1.05 -1.51 -1.40 -3.13 116.25 110.62 3a2k h VAL 141 Ca -0.02 -1.05 -0.23 0.00 -1.23 0.00 0.00 66.70 64.17 3a2k h VAL 141 Cb 0.48 1.98 0.01 0.00 -2.13 0.00 0.00 31.29 31.62 3a2k h VAL 141 CO 0.03 0.02 -0.91 -0.09 -1.23 0.00 0.00 177.57 175.39 3a2k h ARG 142 N 0.00 0.50 0.00 5.19 1.12 -1.60 -3.48 114.38 116.11 3a2k h ARG 142 Ca -0.00 -0.50 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 3a2k h ARG 142 Cb 1.02 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 3a2k h ARG 142 CO 0.00 1.14 0.00 0.41 -3.11 0.00 0.00 179.97 178.41 3a2k n GLY 143 N 0.89 1.00 0.42 2.80 0.00 -1.11 -4.98 105.19 104.21 3a2k n GLY 143 Ca -0.07 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.15 3a2k n GLY 143 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a2k h SER 144 N 0.00 0.00 -0.77 1.61 0.02 -1.84 -3.44 113.55 109.13 3a2k h SER 144 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 3a2k h SER 144 Cb 0.00 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.59 3a2k h SER 144 CO 0.00 0.00 -0.05 0.35 -1.14 0.00 0.00 176.83 175.99 3a2k n THR 145 N -3.36 0.33 0.00 -2.27 -2.24 -1.25 -3.89 114.28 101.61 3a2k n THR 145 Ca 0.10 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3a2k n THR 145 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3a2k n THR 145 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a2k n SER 146 N 1.24 0.00 -0.09 3.42 3.41 -1.26 -4.69 113.62 115.64 3a2k n SER 146 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 3a2k n SER 146 Cb 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 3a2k n SER 146 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3a2k n LYS 147 N 0.00 0.84 0.21 4.33 2.85 -1.26 -4.44 118.16 120.69 3a2k n LYS 147 Ca 0.00 -0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.35 3a2k n LYS 147 Cb 0.00 -1.49 0.27 0.00 -0.65 0.00 0.00 35.03 33.15 3a2k n LYS 147 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3a2k h GLY 148 N 3.80 0.00 -0.12 2.58 0.00 -1.88 -2.55 103.07 104.91 3a2k h GLY 148 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.87 3a2k h GLY 148 CO 0.03 0.00 -0.52 -1.82 0.00 0.00 0.00 176.54 174.23 3a2k h TYR 149 N 0.00 -1.53 0.00 5.60 3.20 -1.78 -3.35 116.97 119.11 3a2k h TYR 149 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3a2k h TYR 149 Cb 0.96 0.68 0.00 0.00 1.54 0.00 0.00 36.73 39.92 3a2k h TYR 149 CO 0.00 -0.52 0.00 0.00 -1.64 0.00 0.00 178.16 176.00 3a2k n ALA 150 N -2.98 0.00 0.00 1.82 0.00 -0.96 -4.82 120.51 113.57 3a2k n ALA 150 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3a2k n ALA 150 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3a2k n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2k n GLY 151 N 0.00 0.85 3.67 0.00 0.00 -1.26 -4.47 105.19 103.99 3a2k n GLY 151 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3a2k n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a2k s ILE 152 N -2.36 4.84 -0.32 -0.61 -1.09 -1.26 -5.00 121.20 115.40 3a2k s ILE 152 Ca 0.00 1.72 -0.29 0.00 -2.23 0.00 0.00 60.65 59.85 3a2k s ILE 152 Cb 0.00 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.72 3a2k s ILE 152 CO 0.00 -0.01 1.11 -2.84 -1.23 0.00 0.00 174.94 171.98 3a2k s PRO 153 N 2.32 4.04 0.00 2.79 0.02 -1.26 -4.95 135.00 137.95 3a2k s PRO 153 Ca 0.40 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3a2k s PRO 153 Cb -0.16 -3.76 0.00 0.00 0.02 0.00 0.00 34.50 30.59 3a2k s PRO 153 CO 0.12 -0.95 0.43 0.28 -0.33 0.00 0.00 177.00 176.55 3a2k n VAL 154 N 5.95 0.00 -4.32 3.83 0.31 -1.26 -4.53 118.33 118.30 3a2k n VAL 154 Ca 0.12 0.68 -0.18 0.00 -0.01 0.00 0.00 64.34 64.95 3a2k n VAL 154 Cb 0.47 -0.92 -0.15 0.00 -0.91 0.00 0.00 33.84 32.34 3a2k n VAL 154 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3a2k s LYS 155 N -2.56 0.68 0.04 5.55 -2.85 -1.26 -1.61 119.74 117.72 3a2k s LYS 155 Ca 0.00 -0.29 -0.05 0.00 -1.00 0.00 0.00 55.97 54.64 3a2k s LYS 155 Cb 0.00 -0.65 -0.01 0.00 -2.06 0.00 0.00 37.83 35.10 3a2k s LYS 155 CO 0.00 0.17 0.07 -0.98 0.10 0.00 0.00 175.35 174.71 3a2k s ARG 156 N -0.15 0.55 -0.74 1.78 1.70 -0.83 -4.90 118.95 116.36 3a2k s ARG 156 Ca 0.02 -0.76 -0.24 0.00 -0.47 0.00 0.00 55.73 54.28 3a2k s ARG 156 Cb -0.04 0.21 -0.15 0.00 -0.57 0.00 0.00 34.95 34.41 3a2k s ARG 156 CO -0.00 -0.13 2.41 -0.35 -1.08 0.00 0.00 175.30 176.14 3a2k n PRO 157 N 0.84 0.59 -3.39 3.89 -0.04 -1.26 -0.25 135.00 135.38 3a2k n PRO 157 Ca -0.19 -0.46 -0.44 0.00 -0.04 0.00 0.00 63.50 62.37 3a2k n PRO 157 Cb 0.58 -3.16 -0.08 0.00 -0.04 0.00 0.00 33.50 30.80 3a2k n PRO 157 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3a2k s PHE 158 N 11.95 3.22 0.00 0.54 5.99 -0.21 -4.91 117.98 134.55 3a2k s PHE 158 Ca 1.02 -0.73 0.00 0.00 0.00 0.00 0.00 56.93 57.22 3a2k s PHE 158 Cb -0.31 -2.98 0.00 0.00 0.00 0.00 0.00 43.02 39.73 3a2k s PHE 158 CO 0.22 -0.74 0.00 1.58 -0.00 0.00 0.00 175.22 176.28 3a2k n HIS 159 N 5.31 0.00 0.00 10.12 -0.00 -1.26 -2.14 115.22 127.25 3a2k n HIS 159 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 3a2k n HIS 159 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 3a2k n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3a2k n GLY 160 N 0.00 -0.26 0.00 1.57 0.00 -1.26 -5.01 105.19 100.23 3a2k n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a2k n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2k n GLY 161 N 1.98 0.73 3.47 -0.02 0.00 -0.91 -5.09 105.19 105.35 3a2k n GLY 161 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3a2k n GLY 161 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a2k s TYR 162 N 1.52 1.80 -0.09 1.61 4.12 -0.73 -1.04 117.35 124.53 3a2k s TYR 162 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 57.07 55.90 3a2k s TYR 162 Cb 0.00 -1.14 0.02 0.00 -1.52 0.00 0.00 41.96 39.32 3a2k s TYR 162 CO 0.00 -0.24 -0.10 -1.17 0.02 0.00 0.00 175.55 174.06 3a2k s LEU 163 N -3.53 1.41 -0.09 -1.29 0.20 0.66 -2.17 118.68 113.86 3a2k s LEU 163 Ca 0.29 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.84 3a2k s LEU 163 Cb 0.05 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.95 3a2k s LEU 163 CO 0.15 -0.05 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.33 3a2k s ILE 164 N 1.25 2.44 -0.55 6.68 -1.09 -0.33 -1.96 121.20 127.64 3a2k s ILE 164 Ca -0.03 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 57.54 3a2k s ILE 164 Cb -0.14 -1.95 0.36 0.00 -1.58 0.00 0.00 42.46 39.14 3a2k s ILE 164 CO -0.03 0.55 0.98 0.54 -1.23 0.00 0.00 174.94 175.75 3a2k n ARG 165 N 3.26 3.27 0.00 2.79 1.74 -0.63 -1.80 116.66 125.29 3a2k n ARG 165 Ca -0.18 -4.79 0.02 0.00 -0.77 0.00 0.00 57.85 52.12 3a2k n ARG 165 Cb 0.53 -2.24 0.09 0.00 -1.02 0.00 0.00 32.46 29.82 3a2k n ARG 165 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3a2k n PRO 166 N -0.29 0.07 0.00 5.56 -0.02 -1.26 -0.55 135.00 138.51 3a2k n PRO 166 Ca 0.33 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 3a2k n PRO 166 Cb 0.44 -1.50 0.69 0.00 -0.02 0.00 0.00 33.50 33.11 3a2k n PRO 166 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a2k n PHE 167 N -1.17 0.00 0.24 6.00 0.99 -1.26 -3.58 117.46 118.69 3a2k n PHE 167 Ca 0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.62 3a2k n PHE 167 Cb 0.02 -0.06 0.84 0.00 -1.00 0.00 0.00 39.48 39.29 3a2k n PHE 167 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3a2k h LEU 168 N 1.00 0.00 -1.52 4.37 5.85 0.19 -2.37 115.31 122.83 3a2k h LEU 168 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3a2k h LEU 168 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3a2k h LEU 168 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3a2k h ALA 169 N 1.88 1.00 -3.05 1.25 0.00 -1.81 -3.12 119.26 115.41 3a2k h ALA 169 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3a2k h ALA 169 Cb 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.81 3a2k h ALA 169 CO -0.00 0.00 -0.48 0.14 0.00 0.00 0.00 179.25 178.91 3a2k s VAL 170 N -3.63 0.03 0.80 0.00 -7.23 -0.89 -4.88 120.40 104.60 3a2k s VAL 170 Ca 0.00 -0.25 -0.14 0.00 -1.81 0.00 0.00 61.98 59.78 3a2k s VAL 170 Cb 0.09 -0.35 0.05 0.00 0.56 0.00 0.00 36.38 36.73 3a2k s VAL 170 CO 0.41 -0.14 0.97 -0.24 -0.31 0.00 0.00 175.10 175.79 3a2k n SER 171 N 2.38 0.24 0.25 4.85 2.88 -1.26 -1.64 113.62 121.32 3a2k n SER 171 Ca -0.16 0.57 0.14 0.00 -1.33 0.00 0.00 58.87 58.09 3a2k n SER 171 Cb 0.57 -1.41 0.46 0.00 -0.75 0.00 0.00 64.21 63.08 3a2k n SER 171 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3a2k h ARG 172 N -0.81 0.00 0.14 -1.46 0.11 -1.94 -2.59 114.38 107.83 3a2k h ARG 172 Ca -0.46 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.64 3a2k h ARG 172 Cb 1.31 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.35 3a2k h ARG 172 CO 0.44 0.04 -0.34 0.00 0.10 0.00 0.00 179.97 180.21 3a2k h ALA 173 N 1.96 -0.60 0.00 0.08 0.00 -2.00 -2.39 119.26 116.30 3a2k h ALA 173 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a2k h ALA 173 Cb 0.74 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a2k h ALA 173 CO 0.01 -0.90 0.00 0.39 0.00 0.00 0.00 179.25 178.75 3a2k n GLU 174 N -5.43 0.10 0.06 0.00 1.02 -1.03 -1.67 120.64 113.68 3a2k n GLU 174 Ca -0.07 0.29 -0.06 0.00 -0.02 0.00 0.00 57.16 57.30 3a2k n GLU 174 Cb 0.34 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 3a2k n GLU 174 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3a2k h ILE 175 N 0.00 1.52 0.16 -3.67 1.08 -1.15 -2.32 117.51 113.12 3a2k h ILE 175 Ca 0.00 -3.21 -0.30 0.00 -0.39 0.00 0.00 64.86 60.96 3a2k h ILE 175 Cb 0.36 2.75 0.03 0.00 -3.07 0.00 0.00 36.82 36.89 3a2k h ILE 175 CO 0.00 0.86 -1.30 -0.33 -0.69 0.00 0.00 178.15 176.70 3a2k h GLU 176 N 0.00 0.53 -0.16 2.37 3.07 -0.88 -1.62 114.58 117.88 3a2k h GLU 176 Ca -0.04 -0.78 0.05 0.00 -0.50 0.00 0.00 59.36 58.09 3a2k h GLU 176 Cb 1.76 0.27 -0.06 0.00 -0.84 0.00 0.00 28.75 29.88 3a2k h GLU 176 CO 0.12 1.36 -0.19 0.00 -1.40 0.00 0.00 179.01 178.89 3a2k h ALA 177 N 0.33 -0.11 -0.26 3.43 0.00 -1.36 -2.15 119.26 119.15 3a2k h ALA 177 Ca -0.19 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3a2k h ALA 177 Cb 1.98 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 3a2k h ALA 177 CO 0.24 -0.64 -0.33 -0.92 0.00 0.00 0.00 179.25 177.60 3a2k h TYR 178 N -0.23 0.63 0.59 0.00 3.20 -1.49 -1.90 116.97 117.77 3a2k h TYR 178 Ca 0.11 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3a2k h TYR 178 Cb 0.39 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.52 3a2k h TYR 178 CO -0.32 0.81 -0.28 0.00 -1.64 0.00 0.00 178.16 176.73 3a2k h ARG 180 N -0.88 -0.27 -0.94 0.00 2.43 -1.49 -2.53 114.38 110.69 3a2k h ARG 180 Ca -0.08 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.39 3a2k h ARG 180 Cb 0.64 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.09 3a2k h ARG 180 CO 0.13 0.08 0.28 1.96 -1.51 0.00 0.00 179.97 180.92 3a2k h GLN 181 N -0.69 0.15 -1.12 0.20 4.20 -1.42 0.22 115.11 116.64 3a2k h GLN 181 Ca -0.03 -0.01 -0.64 0.00 0.06 0.00 0.00 58.65 58.03 3a2k h GLN 181 Cb 0.48 -0.03 -0.35 0.00 0.30 0.00 0.00 27.48 27.88 3a2k h GLN 181 CO 0.05 0.10 0.17 -1.33 -0.67 0.00 0.00 178.83 177.15 3a2k n MET 182 N -5.26 3.09 -1.25 1.46 2.81 -0.68 -5.03 117.12 112.26 3a2k n MET 182 Ca 0.25 -3.75 0.00 0.00 -1.81 0.00 0.00 57.70 52.40 3a2k n MET 182 Cb 0.82 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 3a2k n MET 182 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a2k n GLY 183 N -0.75 -4.50 0.00 3.03 0.00 0.77 -4.92 105.19 98.83 3a2k n GLY 183 Ca 0.53 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3a2k n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a2k n LEU 184 N 0.90 0.00 0.00 0.99 4.32 -1.22 -4.77 117.00 117.22 3a2k n LEU 184 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3a2k n LEU 184 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3a2k n LEU 184 CO 0.00 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.63 3a2k n SER 185 N 0.00 -0.85 -2.51 -1.43 3.41 -1.26 -4.56 113.62 106.42 3a2k n SER 185 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3a2k n SER 185 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3a2k n SER 185 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3a2k n PRO 186 N -0.85 0.00 0.00 4.33 -0.02 -1.26 -4.85 135.00 132.35 3a2k n PRO 186 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3a2k n PRO 186 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3a2k n PRO 186 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a2k n ARG 187 N 3.60 0.00 -2.16 -0.52 1.74 -1.26 -4.80 116.66 113.25 3a2k n ARG 187 Ca 0.27 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.14 3a2k n ARG 187 Cb -0.03 -0.03 0.11 0.00 -1.02 0.00 0.00 32.46 31.50 3a2k n ARG 187 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a2k s ASP 189 N -4.59 6.59 0.00 0.00 1.11 -1.26 -4.91 116.67 113.61 3a2k s ASP 189 Ca 0.58 0.72 0.30 0.00 0.18 0.00 0.00 52.55 54.33 3a2k s ASP 189 Cb -0.03 -2.33 1.76 0.00 1.07 0.00 0.00 42.92 43.39 3a2k s ASP 189 CO 0.39 -0.34 2.14 -2.65 1.18 0.00 0.00 175.17 175.89 3a2k n PRO 190 N 5.53 1.06 -0.72 8.23 -0.02 -1.26 -3.88 135.00 143.94 3a2k n PRO 190 Ca -0.01 -0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.37 3a2k n PRO 190 Cb 0.49 -1.48 0.23 0.00 -0.02 0.00 0.00 33.50 32.72 3a2k n PRO 190 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3a2k n SER 191 N -0.88 3.21 0.00 2.55 7.64 -1.26 -4.59 113.62 120.29 3a2k n SER 191 Ca 0.23 -3.46 0.03 0.00 1.01 0.00 0.00 58.87 56.68 3a2k n SER 191 Cb 0.13 -0.62 0.13 0.00 -1.01 0.00 0.00 64.21 62.83 3a2k n SER 191 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3a2k n ASN 192 N -0.86 0.00 -4.43 6.43 6.94 -1.25 -4.72 115.26 117.37 3a2k n ASN 192 Ca 0.31 0.38 -0.47 0.00 -0.02 0.00 0.00 54.58 54.78 3a2k n ASN 192 Cb 1.05 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 37.94 3a2k n ASN 192 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3a2k n GLU 193 N -1.41 0.28 0.00 -3.83 -0.58 -1.26 -4.49 120.64 109.34 3a2k n GLU 193 Ca 0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 3a2k n GLU 193 Cb 0.06 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 3a2k n GLU 193 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3a2k n LYS 194 N 8.25 0.00 -0.12 3.49 4.81 -1.26 -4.97 118.16 128.36 3a2k n LYS 194 Ca 0.56 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3a2k n LYS 194 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 3a2k n LYS 194 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3a2k n ASP 195 N 0.00 1.53 0.08 3.14 9.92 -1.26 -3.50 116.55 126.47 3a2k n ASP 195 Ca 0.00 -1.22 -0.09 0.00 -0.53 0.00 0.00 54.79 52.94 3a2k n ASP 195 Cb 0.00 -0.31 -0.05 0.00 -0.64 0.00 0.00 41.12 40.12 3a2k n ASP 195 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 3a2k h ASP 196 N 2.51 0.22 -3.61 -2.24 3.58 -1.94 -3.44 116.42 111.50 3a2k h ASP 196 Ca 0.00 -0.20 -0.65 0.00 0.42 0.00 0.00 57.03 56.60 3a2k h ASP 196 Cb 0.33 -0.07 -0.23 0.00 1.72 0.00 0.00 39.33 41.08 3a2k h ASP 196 CO 0.00 1.05 -0.63 -0.31 -2.88 0.00 0.00 179.24 176.47 3a2k s TYR 197 N -3.02 3.07 0.05 0.28 1.51 -1.23 -4.96 117.35 113.06 3a2k s TYR 197 Ca -0.02 -0.52 -0.09 0.00 -1.01 0.00 0.00 57.07 55.42 3a2k s TYR 197 Cb 0.10 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3a2k s TYR 197 CO 0.83 -0.40 0.46 0.25 -1.11 0.00 0.00 175.55 175.59 3a2k n THR 198 N 4.91 -0.20 -0.32 -0.71 -2.24 -1.26 0.30 114.28 114.75 3a2k n THR 198 Ca -0.16 0.73 0.03 0.00 -2.27 0.00 0.00 64.05 62.38 3a2k n THR 198 Cb 0.51 -0.90 0.10 0.00 -2.10 0.00 0.00 70.33 67.94 3a2k n THR 198 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3a2k n ARG 199 N -4.38 -0.12 0.21 -0.78 3.00 -1.26 -1.18 116.66 112.16 3a2k n ARG 199 Ca 0.01 1.37 -0.15 0.00 -0.00 0.00 0.00 57.85 59.07 3a2k n ARG 199 Cb 0.08 -2.04 -0.08 0.00 0.00 0.00 0.00 32.46 30.42 3a2k n ARG 199 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3a2k h ASN 200 N 0.00 -0.43 -0.90 6.15 4.21 0.42 -3.01 115.58 122.03 3a2k h ASN 200 Ca 0.39 -0.04 0.20 0.00 1.21 0.00 0.00 56.30 58.05 3a2k h ASN 200 Cb 0.61 0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 37.85 3a2k h ASN 200 CO -0.90 -0.23 0.59 0.03 -1.29 0.00 0.00 177.43 175.64 3a2k h ARG 201 N -0.60 0.44 0.36 0.81 3.08 -0.71 1.23 114.38 119.00 3a2k h ARG 201 Ca -0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3a2k h ARG 201 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3a2k h ARG 201 CO 0.08 0.29 -0.27 0.74 -1.07 0.00 0.00 179.97 179.75 3a2k h PHE 202 N 0.45 -0.71 -0.50 3.04 -1.00 -1.42 -1.46 116.94 115.35 3a2k h PHE 202 Ca 0.47 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.24 3a2k h PHE 202 Cb 1.11 0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.91 3a2k h PHE 202 CO -0.00 -0.40 0.29 -0.09 -1.61 0.00 0.00 178.31 176.50 3a2k h ARG 203 N -0.63 0.67 0.20 1.51 2.43 0.14 0.80 114.38 119.50 3a2k h ARG 203 Ca -0.03 -0.06 -0.27 0.00 -0.81 0.00 0.00 59.98 58.81 3a2k h ARG 203 Cb 0.54 -0.14 0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3a2k h ARG 203 CO 0.00 0.48 -1.18 0.45 -1.51 0.00 0.00 179.97 178.22 3a2k h HIS 204 N 0.68 0.80 0.00 2.20 3.86 0.04 -3.40 115.15 119.33 3a2k h HIS 204 Ca 0.18 -0.58 -0.05 0.00 -1.16 0.00 0.00 60.37 58.76 3a2k h HIS 204 Cb -0.01 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3a2k h HIS 204 CO 0.00 1.45 -1.18 0.72 0.86 0.00 0.00 177.93 179.78 3a2k n HIS 205 N -3.90 0.00 0.33 2.45 8.25 -0.56 -4.75 115.22 117.03 3a2k n HIS 205 Ca -0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.15 3a2k n HIS 205 Cb 0.98 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.89 3a2k n HIS 205 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3a2k h ILE 206 N -0.08 0.23 -0.43 1.59 2.04 -0.85 -3.10 117.51 116.91 3a2k h ILE 206 Ca -0.08 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3a2k h ILE 206 Cb 1.09 0.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 3a2k h ILE 206 CO -0.04 0.03 -0.42 0.58 0.00 0.00 0.00 178.15 178.30 3a2k h VAL 207 N -1.08 0.12 -0.99 1.67 2.07 0.28 -1.82 116.25 116.51 3a2k h VAL 207 Ca -0.09 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.66 3a2k h VAL 207 Cb 0.70 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 3a2k h VAL 207 CO 0.14 0.00 0.63 -0.65 0.02 0.00 0.00 177.57 177.72 3a2k h PRO 208 N -0.30 0.48 -0.23 1.57 0.11 -1.76 0.68 132.00 132.54 3a2k h PRO 208 Ca 0.15 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 3a2k h PRO 208 Cb 0.58 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3a2k h PRO 208 CO -0.59 0.32 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.26 3a2k h LEU 209 N 0.49 0.40 0.36 2.35 3.38 -1.25 0.89 115.31 121.93 3a2k h LEU 209 Ca 0.55 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 3a2k h LEU 209 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3a2k h LEU 209 CO -0.28 0.61 -0.18 -0.07 0.09 0.00 0.00 178.44 178.61 3a2k h LEU 210 N 0.37 -0.41 -0.29 1.67 -0.00 0.27 -2.65 115.31 114.26 3a2k h LEU 210 Ca 0.06 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 58.01 3a2k h LEU 210 Cb 0.55 0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.26 3a2k h LEU 210 CO 0.04 -0.06 -0.08 -1.14 -0.00 0.00 0.00 178.44 177.20 3a2k n ARG 211 N -4.64 -0.03 -0.11 1.13 3.00 0.17 0.24 116.66 116.41 3a2k n ARG 211 Ca -0.06 0.45 -0.13 0.00 -0.00 0.00 0.00 57.85 58.11 3a2k n ARG 211 Cb 0.19 -0.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.94 3a2k n ARG 211 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3a2k h GLN 212 N 0.00 0.82 0.00 -0.14 4.20 -0.84 -2.91 115.11 116.24 3a2k h GLN 212 Ca 0.14 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3a2k h GLN 212 Cb 0.21 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3a2k h GLN 212 CO -0.30 1.06 -0.04 0.93 -0.67 0.00 0.00 178.83 179.82 3a2k h GLU 213 N 0.60 0.00 -1.82 1.46 4.39 0.34 -3.41 114.58 116.14 3a2k h GLU 213 Ca 0.05 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.83 3a2k h GLU 213 Cb 0.91 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.34 3a2k h GLU 213 CO 0.08 0.04 0.03 1.21 -1.16 0.00 0.00 179.01 179.20 3a2k s ASN 214 N -5.90 -0.93 0.30 1.42 2.47 -0.28 -5.04 114.94 106.98 3a2k s ASN 214 Ca -0.04 1.37 -0.00 0.00 0.42 0.00 0.00 52.86 54.61 3a2k s ASN 214 Cb 0.14 1.78 0.47 0.00 -1.45 0.00 0.00 41.25 42.19 3a2k s ASN 214 CO 0.53 -0.20 1.90 1.55 -3.72 0.00 0.00 177.10 177.16 3a2k h PRO 215 N 7.36 0.88 -2.32 0.43 0.13 -1.80 -3.24 132.00 133.45 3a2k h PRO 215 Ca -0.23 -0.12 -0.78 0.00 -0.87 0.00 0.00 66.00 64.00 3a2k h PRO 215 Cb 1.16 -0.16 -0.29 0.00 0.13 0.00 0.00 31.00 31.83 3a2k h PRO 215 CO 0.13 0.69 0.80 0.54 -0.23 0.00 0.00 178.00 179.93 3a2k n ARG 216 N -4.35 5.07 -0.06 0.86 1.74 -1.26 -4.70 116.66 113.96 3a2k n ARG 216 Ca 0.06 -4.68 -0.07 0.00 -0.77 0.00 0.00 57.85 52.38 3a2k n ARG 216 Cb 0.14 -2.44 -0.06 0.00 -1.02 0.00 0.00 32.46 29.07 3a2k n ARG 216 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3a2k h LEU 217 N 4.19 0.00 0.00 0.55 5.85 -1.90 -2.98 115.31 121.02 3a2k h LEU 217 Ca 0.45 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3a2k h LEU 217 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3a2k h LEU 217 CO 1.15 0.78 0.19 0.00 -0.34 0.00 0.00 178.44 180.22 3a2k n HIS 218 N -4.68 0.00 -0.08 1.25 1.44 -1.26 -0.28 115.22 111.61 3a2k n HIS 218 Ca -0.06 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.58 3a2k n HIS 218 Cb 0.26 -0.28 -0.03 0.00 0.12 0.00 0.00 29.99 30.06 3a2k n HIS 218 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3a2k n GLU 219 N -1.26 0.47 0.22 -1.40 1.02 -1.23 -2.98 120.64 115.48 3a2k n GLU 219 Ca 0.00 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.73 3a2k n GLU 219 Cb 0.19 -1.65 0.57 0.00 -0.02 0.00 0.00 31.44 30.53 3a2k n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a2k h ARG 220 N -1.00 0.00 0.03 3.49 2.47 -0.48 0.27 114.38 119.17 3a2k h ARG 220 Ca -0.04 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.35 3a2k h ARG 220 Cb 0.67 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.94 3a2k h ARG 220 CO -0.02 0.00 -1.93 1.19 0.56 0.00 0.00 179.97 179.76 3a2k n PHE 221 N -2.36 0.86 0.24 3.04 3.01 -0.37 -3.13 117.46 118.74 3a2k n PHE 221 Ca -0.01 0.26 -0.13 0.00 1.01 0.00 0.00 57.45 58.58 3a2k n PHE 221 Cb 0.25 -1.14 -0.07 0.00 -0.01 0.00 0.00 39.48 38.51 3a2k n PHE 221 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3a2k h GLN 222 N 0.02 -0.61 -1.16 -1.08 5.75 -0.40 -1.00 115.11 116.64 3a2k h GLN 222 Ca -0.38 0.04 0.33 0.00 -0.15 0.00 0.00 58.65 58.49 3a2k h GLN 222 Cb 2.05 0.14 -0.05 0.00 1.07 0.00 0.00 27.48 30.68 3a2k h GLN 222 CO 0.06 -0.31 0.82 0.37 -2.65 0.00 0.00 178.83 177.13 3a2k h GLN 223 N -1.01 0.04 0.65 1.69 4.15 -1.46 0.32 115.11 119.50 3a2k h GLN 223 Ca -0.06 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 3a2k h GLN 223 Cb 0.58 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.27 3a2k h GLN 223 CO 0.11 0.03 -0.31 -0.92 -1.93 0.00 0.00 178.83 175.80 3a2k h TYR 224 N 0.04 -0.81 -0.90 3.99 3.20 -1.42 -0.71 116.97 120.37 3a2k h TYR 224 Ca 0.56 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.57 3a2k h TYR 224 Cb 2.16 0.27 -0.16 0.00 1.54 0.00 0.00 36.73 40.54 3a2k h TYR 224 CO -0.00 -0.50 -0.32 1.03 -1.64 0.00 0.00 178.16 176.73 3a2k h SER 225 N -1.10 -1.16 0.02 -2.11 0.87 0.90 0.10 113.55 111.07 3a2k h SER 225 Ca -0.09 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3a2k h SER 225 Cb 0.67 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3a2k h SER 225 CO 0.15 -0.30 -0.01 -0.33 -0.53 0.00 0.00 176.83 175.81 3a2k h GLU 226 N -0.03 -0.03 -0.36 2.24 5.08 -1.02 0.85 114.58 121.31 3a2k h GLU 226 Ca 0.36 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 3a2k h GLU 226 Cb 0.62 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 3a2k h GLU 226 CO -0.92 0.03 -0.36 1.98 -1.00 0.00 0.00 179.01 178.74 3a2k h MET 227 N -0.08 -0.18 0.00 2.33 4.05 0.72 0.35 114.93 122.12 3a2k h MET 227 Ca -0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3a2k h MET 227 Cb 0.07 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3a2k h MET 227 CO 0.00 -0.12 -0.12 0.52 0.23 0.00 0.00 176.91 177.43 3a2k h MET 228 N -0.19 0.00 0.00 0.39 2.86 -0.71 -1.29 114.93 115.98 3a2k h MET 228 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3a2k h MET 228 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3a2k h MET 228 CO -0.44 0.12 0.00 0.00 1.06 0.00 0.00 176.91 177.65 3a2k n ALA 229 N -2.43 -0.31 0.12 6.32 0.00 0.29 -0.23 120.51 124.26 3a2k n ALA 229 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3a2k n ALA 229 Cb 0.20 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 3a2k n ALA 229 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3a2k h GLU 230 N 0.00 -0.29 -0.56 0.00 4.11 -1.19 -1.64 114.58 115.00 3a2k h GLU 230 Ca 0.00 0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.55 3a2k h GLU 230 Cb 0.00 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 3a2k h GLU 230 CO 0.00 -0.20 -0.35 -0.44 0.07 0.00 0.00 179.01 178.10 3a2k h ASP 231 N -0.31 -1.20 0.37 3.06 3.45 -1.27 -1.75 116.42 118.78 3a2k h ASP 231 Ca 0.00 0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 3a2k h ASP 231 Cb 0.29 0.58 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 3a2k h ASP 231 CO -0.03 -0.31 -0.32 -0.08 -1.57 0.00 0.00 179.24 176.92 3a2k h GLU 232 N -0.19 -0.68 -0.57 3.56 4.57 -0.07 -3.04 114.58 118.16 3a2k h GLU 232 Ca 0.22 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3a2k h GLU 232 Cb 0.55 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 3a2k h GLU 232 CO -0.66 -0.46 0.30 0.37 -1.18 0.00 0.00 179.01 177.38 3a2k h GLN 233 N -0.71 0.79 0.00 1.92 4.15 -0.88 -1.79 115.11 118.59 3a2k h GLN 233 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3a2k h GLN 233 Cb 0.63 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3a2k h GLN 233 CO -0.03 0.60 0.00 0.34 -1.93 0.00 0.00 178.83 177.81 3a2k n PHE 234 N -4.38 0.00 -0.25 3.99 7.35 -0.70 -1.90 117.46 121.57 3a2k n PHE 234 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3a2k n PHE 234 Cb 0.11 -0.28 0.04 0.00 0.35 0.00 0.00 39.48 39.70 3a2k n PHE 234 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3a2k n LEU 235 N -1.79 -0.38 -0.37 -2.13 4.32 -1.04 0.73 117.00 116.33 3a2k n LEU 235 Ca 0.00 1.14 -0.03 0.00 -0.02 0.00 0.00 56.01 57.09 3a2k n LEU 235 Cb 0.00 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.53 3a2k n LEU 235 CO 0.00 -1.04 0.57 -0.33 -1.22 0.00 0.00 177.39 175.37 3a2k h GLU 236 N 0.00 -0.02 -0.15 3.23 4.39 -0.84 0.81 114.58 122.00 3a2k h GLU 236 Ca 0.25 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.99 3a2k h GLU 236 Cb 0.41 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 3a2k h GLU 236 CO -0.65 -0.01 -0.49 1.49 -1.16 0.00 0.00 179.01 178.18 3a2k h GLU 237 N -0.02 -0.52 -0.06 2.33 4.81 0.10 0.74 114.58 121.96 3a2k h GLU 237 Ca 0.30 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3a2k h GLU 237 Cb 0.56 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 3a2k h GLU 237 CO -0.95 -0.34 -0.48 -0.07 -0.73 0.00 0.00 179.01 176.44 3a2k h LEU 238 N -0.54 -1.49 0.00 1.64 4.07 0.04 -1.81 115.31 117.22 3a2k h LEU 238 Ca 0.06 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3a2k h LEU 238 Cb 0.66 0.58 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3a2k h LEU 238 CO -0.43 -0.48 0.00 0.00 -1.08 0.00 0.00 178.44 176.45 3a2k n ALA 239 N -2.95 0.00 -0.05 1.53 0.00 0.24 0.05 120.51 119.32 3a2k n ALA 239 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 3a2k n ALA 239 Cb 0.38 0.36 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 3a2k n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a2k n ALA 240 N -2.32 -0.08 -0.33 0.00 0.00 0.20 0.26 120.51 118.25 3a2k n ALA 240 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 3a2k n ALA 240 Cb 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 3a2k n ALA 240 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a2k h ASP 241 N 0.00 -1.89 -0.39 0.00 3.32 -0.58 0.26 116.42 117.14 3a2k h ASP 241 Ca 0.02 0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.40 3a2k h ASP 241 Cb 0.05 0.85 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 3a2k h ASP 241 CO -0.11 -0.29 -0.26 0.00 -1.72 0.00 0.00 179.24 176.87 3a2k h ALA 242 N 0.58 -0.29 -0.42 3.45 0.00 0.37 -1.40 119.26 121.55 3a2k h ALA 242 Ca 0.18 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3a2k h ALA 242 Cb 0.50 1.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3a2k h ALA 242 CO -0.85 -0.46 -0.25 -0.11 0.00 0.00 0.00 179.25 177.58 3a2k n LEU 243 N -3.96 -0.44 -0.32 0.00 7.94 0.32 0.95 117.00 121.48 3a2k n LEU 243 Ca 0.00 0.80 0.06 0.00 -1.11 0.00 0.00 56.01 55.77 3a2k n LEU 243 Cb 0.12 -0.12 0.22 0.00 0.53 0.00 0.00 43.42 44.17 3a2k n LEU 243 CO -0.06 -0.63 1.17 0.78 -1.11 0.00 0.00 177.39 177.54 3a2k h ASN 244 N 0.00 0.75 -0.01 1.96 4.21 -0.95 -0.50 115.58 121.04 3a2k h ASN 244 Ca 0.07 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3a2k h ASN 244 Cb 0.17 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3a2k h ASN 244 CO -0.39 0.38 0.00 0.29 -1.29 0.00 0.00 177.43 176.42 3a2k n LYS 245 N -4.73 1.02 0.00 0.81 5.02 0.27 -3.13 118.16 117.42 3a2k n LYS 245 Ca 0.17 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3a2k n LYS 245 Cb 0.37 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3a2k n LYS 245 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a2k n VAL 246 N -0.51 0.00 -2.87 -0.18 0.31 -0.32 -4.93 118.33 109.82 3a2k n VAL 246 Ca 0.02 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 3a2k n VAL 246 Cb 0.01 1.17 -0.04 0.00 -0.91 0.00 0.00 33.84 34.08 3a2k n VAL 246 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3a2k s MET 247 N -0.27 3.21 0.19 5.55 -1.94 -0.47 -2.06 119.30 123.51 3a2k s MET 247 Ca 0.00 -0.56 -0.33 0.00 -1.71 0.00 0.00 55.69 53.09 3a2k s MET 247 Cb 0.00 -4.13 -0.15 0.00 2.01 0.00 0.00 34.83 32.56 3a2k s MET 247 CO 0.00 -1.62 1.30 0.39 -0.01 0.00 0.00 175.02 175.08 3a2k n GLU 248 N 7.49 1.55 0.00 2.03 1.02 -1.06 -4.86 120.64 126.82 3a2k n GLU 248 Ca -0.01 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 3a2k n GLU 248 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 3a2k n GLU 248 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3a2k n LYS 249 N 2.03 0.00 -2.29 3.49 2.85 -1.26 -3.70 118.16 119.28 3a2k n LYS 249 Ca 0.14 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.97 3a2k n LYS 249 Cb 0.27 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.63 3a2k n LYS 249 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3a2k s GLN 250 N 0.76 3.49 0.00 -1.58 2.00 -1.26 -4.70 119.66 118.37 3a2k s GLN 250 Ca 0.00 0.96 0.00 0.00 -2.00 0.00 0.00 55.36 54.32 3a2k s GLN 250 Cb 0.00 -4.07 0.00 0.00 0.80 0.00 0.00 33.01 29.74 3a2k s GLN 250 CO 0.00 -1.67 0.00 0.72 -0.50 0.00 0.00 175.29 173.84 3a2k n HIS 251 N 9.21 0.00 -0.09 1.67 8.25 -1.26 -5.05 115.22 127.95 3a2k n HIS 251 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.41 3a2k n HIS 251 Cb 0.48 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 3a2k n HIS 251 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a2k n ARG 252 N 0.00 0.60 -4.28 -0.41 1.74 -1.26 -4.97 116.66 108.07 3a2k n ARG 252 Ca 0.00 0.51 -0.17 0.00 -0.77 0.00 0.00 57.85 57.42 3a2k n ARG 252 Cb 0.00 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 3a2k n ARG 252 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a2k s ASP 253 N -6.93 2.14 0.15 0.55 1.01 -1.26 -5.14 116.67 107.18 3a2k s ASP 253 Ca -0.29 -0.96 -0.04 0.00 0.71 0.00 0.00 52.55 51.97 3a2k s ASP 253 Cb 0.07 -0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.87 3a2k s ASP 253 CO 0.61 -0.22 0.38 0.00 0.21 0.00 0.00 175.17 176.15 3a2k s ALA 254 N -2.88 3.80 0.31 5.23 0.00 -1.23 -4.89 121.76 122.09 3a2k s ALA 254 Ca 0.17 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.62 3a2k s ALA 254 Cb -0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3a2k s ALA 254 CO 0.03 0.65 0.06 0.00 0.00 0.00 0.00 175.76 176.50 3a2k s ALA 255 N -1.68 3.32 -0.07 0.00 0.00 -1.24 -1.43 121.76 120.64 3a2k s ALA 255 Ca 0.41 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 3a2k s ALA 255 Cb -0.12 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.33 3a2k s ALA 255 CO 0.25 0.14 0.14 -1.17 0.00 0.00 0.00 175.76 175.13 3a2k s LEU 256 N -3.75 0.31 -0.47 0.00 2.96 -0.86 -2.55 118.68 114.32 3a2k s LEU 256 Ca 0.34 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 54.28 3a2k s LEU 256 Cb -0.04 0.28 0.03 0.00 0.50 0.00 0.00 46.19 46.96 3a2k s LEU 256 CO 0.21 -0.20 1.04 -0.44 -1.32 0.00 0.00 176.35 175.64 3a2k s SER 257 N 1.77 6.57 0.26 3.68 0.01 -0.87 -1.19 113.70 123.92 3a2k s SER 257 Ca -0.02 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 3a2k s SER 257 Cb -0.12 -2.50 0.53 0.00 0.21 0.00 0.00 66.02 64.14 3a2k s SER 257 CO -0.06 -1.16 1.71 0.40 0.41 0.00 0.00 173.24 174.54 3a2k h ILE 258 N 6.17 0.57 0.00 1.44 1.08 -1.30 -2.46 117.51 123.00 3a2k h ILE 258 Ca -0.23 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3a2k h ILE 258 Cb 1.07 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3a2k h ILE 258 CO 1.08 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 179.22 3a2k n GLY 259 N -1.34 -2.93 0.27 5.37 0.00 -1.26 -0.71 105.19 104.58 3a2k n GLY 259 Ca 0.16 0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.49 3a2k n GLY 259 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a2k h PRO 260 N 0.00 0.34 -0.04 1.61 0.13 -1.96 -1.76 132.00 130.32 3a2k h PRO 260 Ca 0.00 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3a2k h PRO 260 Cb 0.00 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.04 3a2k h PRO 260 CO 0.00 0.22 -0.11 0.35 -0.23 0.00 0.00 178.00 178.24 3a2k h PHE 261 N 0.35 -0.32 0.00 1.56 3.57 -1.30 -2.61 116.94 118.18 3a2k h PHE 261 Ca 0.41 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.92 3a2k h PHE 261 Cb 0.65 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3a2k h PHE 261 CO -0.21 -0.11 0.00 -0.07 -2.23 0.00 0.00 178.31 175.69 3a2k h LEU 262 N -0.11 0.00 -0.98 0.59 3.38 -0.21 0.58 115.31 118.56 3a2k h LEU 262 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a2k h LEU 262 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3a2k h LEU 262 CO -0.09 0.00 -0.15 -0.33 0.09 0.00 0.00 178.44 177.96 3a2k h GLU 263 N 0.00 0.00 -6.40 1.13 5.08 -0.98 -3.45 114.58 109.96 3a2k h GLU 263 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3a2k h GLU 263 Cb 0.12 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.56 3a2k h GLU 263 CO 0.00 0.15 -0.89 1.28 -1.00 0.00 0.00 179.01 178.55 3a2k n LEU 264 N -3.25 -1.97 -4.83 1.33 4.77 0.20 -5.01 117.00 108.24 3a2k n LEU 264 Ca 0.01 -0.24 -0.37 0.00 -0.03 0.00 0.00 56.01 55.37 3a2k n LEU 264 Cb 0.43 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 3a2k n LEU 264 CO 0.32 -3.14 0.20 -2.84 -1.33 0.00 0.00 177.39 170.60 3a2k s PRO 265 N -3.40 4.03 0.13 3.23 0.02 -1.26 -4.94 135.00 132.80 3a2k s PRO 265 Ca 0.48 0.54 -0.22 0.00 0.02 0.00 0.00 61.00 61.81 3a2k s PRO 265 Cb -0.08 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 3a2k s PRO 265 CO 0.54 0.61 1.67 0.00 -0.33 0.00 0.00 177.00 179.48 3a2k h ARG 266 N 4.28 -0.19 -0.75 5.54 3.08 -1.95 0.07 114.38 124.46 3a2k h ARG 266 Ca -0.50 0.01 0.23 0.00 0.07 0.00 0.00 59.98 59.80 3a2k h ARG 266 Cb 1.21 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.16 3a2k h ARG 266 CO 0.64 -0.13 0.11 -2.30 -1.07 0.00 0.00 179.97 177.22 3a2k n PRO 267 N -5.30 -0.06 0.08 0.04 -0.02 -1.26 0.99 135.00 129.48 3a2k n PRO 267 Ca -0.03 1.11 -0.22 0.00 -2.02 0.00 0.00 63.50 62.34 3a2k n PRO 267 Cb 0.22 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 3a2k n PRO 267 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a2k h LEU 268 N 0.00 0.60 -0.89 2.45 3.38 -1.44 -2.78 115.31 116.63 3a2k h LEU 268 Ca 0.50 -0.94 0.24 0.00 0.09 0.00 0.00 57.88 57.77 3a2k h LEU 268 Cb 1.12 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 3a2k h LEU 268 CO -0.68 1.53 0.14 1.56 0.09 0.00 0.00 178.44 181.09 3a2k h GLN 269 N -0.17 0.12 0.31 1.13 4.20 0.18 0.33 115.11 121.21 3a2k h GLN 269 Ca -0.20 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3a2k h GLN 269 Cb 1.85 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 3a2k h GLN 269 CO 0.19 0.08 -0.26 -0.09 -0.67 0.00 0.00 178.83 178.08 3a2k h ARG 270 N 0.13 -0.54 0.16 1.46 2.43 -0.76 -2.80 114.38 114.45 3a2k h ARG 270 Ca 0.55 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.76 3a2k h ARG 270 Cb 1.11 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3a2k h ARG 270 CO -0.73 -0.36 -0.53 0.00 -1.51 0.00 0.00 179.97 176.83 3a2k h ARG 271 N -0.56 -0.76 -0.97 0.20 2.47 -0.16 -0.17 114.38 114.44 3a2k h ARG 271 Ca -0.04 0.05 0.23 0.00 -1.26 0.00 0.00 59.98 58.96 3a2k h ARG 271 Cb 0.47 0.17 -0.08 0.00 -1.65 0.00 0.00 29.97 28.89 3a2k h ARG 271 CO -0.01 -0.50 0.64 -0.39 0.56 0.00 0.00 179.97 180.26 3a2k h VAL 272 N -0.79 0.61 0.79 2.04 -1.51 -1.12 0.38 116.25 116.66 3a2k h VAL 272 Ca -0.01 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.28 3a2k h VAL 272 Cb 0.78 0.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.10 3a2k h VAL 272 CO -0.27 0.08 -0.38 -0.07 -1.23 0.00 0.00 177.57 175.70 3a2k h LEU 273 N 0.42 -0.90 -0.92 4.19 3.38 -0.81 0.17 115.31 120.84 3a2k h LEU 273 Ca 0.53 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.70 3a2k h LEU 273 Cb 1.31 0.23 -0.16 0.00 0.09 0.00 0.00 40.66 42.13 3a2k h LEU 273 CO -0.23 -0.60 -0.28 0.00 0.09 0.00 0.00 178.44 177.42 3a2k n GLN 274 N -5.14 -0.14 0.26 1.13 6.02 0.78 -1.72 117.38 118.57 3a2k n GLN 274 Ca -0.13 1.42 -0.15 0.00 -0.01 0.00 0.00 57.00 58.13 3a2k n GLN 274 Cb 0.42 -2.12 -0.08 0.00 1.02 0.00 0.00 30.24 29.48 3a2k n GLN 274 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3a2k h LEU 275 N 0.00 -0.56 -0.17 1.08 3.38 -0.34 -2.33 115.31 116.36 3a2k h LEU 275 Ca 0.39 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3a2k h LEU 275 Cb 0.62 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3a2k h LEU 275 CO -0.93 -0.26 -0.10 -0.11 0.09 0.00 0.00 178.44 177.13 3a2k n LEU 276 N -5.30 -0.18 -0.12 1.67 -0.00 0.60 -0.32 117.00 113.35 3a2k n LEU 276 Ca -0.11 0.67 -0.00 0.00 -0.00 0.00 0.00 56.01 56.56 3a2k n LEU 276 Cb 0.31 -0.22 0.26 0.00 -0.00 0.00 0.00 43.42 43.77 3a2k n LEU 276 CO 0.33 -0.43 1.08 -0.07 -0.00 0.00 0.00 177.39 178.30 3a2k h LEU 277 N 0.00 0.72 0.01 -1.96 3.38 -1.42 -0.73 115.31 115.31 3a2k h LEU 277 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a2k h LEU 277 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3a2k h LEU 277 CO -0.16 0.63 -0.06 0.25 0.09 0.00 0.00 178.44 179.18 3a2k h LEU 278 N 0.79 -0.17 -0.58 1.67 5.85 -0.27 0.32 115.31 122.92 3a2k h LEU 278 Ca 0.19 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.06 3a2k h LEU 278 Cb 0.11 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.10 3a2k h LEU 278 CO -0.02 -0.09 -0.16 -0.09 -0.34 0.00 0.00 178.44 177.74 3a2k h ARG 279 N -0.11 -0.01 0.00 1.25 2.43 -0.02 -0.53 114.38 117.38 3a2k h ARG 279 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a2k h ARG 279 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3a2k h ARG 279 CO -0.05 -0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.68 3a2k n LEU 280 N -5.41 0.00 0.00 3.80 4.77 0.04 -4.54 117.00 115.66 3a2k n LEU 280 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3a2k n LEU 280 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3a2k n LEU 280 CO 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.12 3a2k n TYR 281 N -0.92 0.00 0.00 -1.77 0.18 -0.39 -5.04 117.16 109.23 3a2k n TYR 281 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 3a2k n TYR 281 Cb 0.03 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 3a2k n TYR 281 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3a2k n GLY 282 N 0.00 1.79 0.62 -7.48 0.00 -0.35 -5.04 105.19 94.73 3a2k n GLY 282 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3a2k n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2k n GLY 283 N 0.00 0.00 3.88 -0.02 0.00 -1.26 -4.86 105.19 102.93 3a2k n GLY 283 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3a2k n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a2k s VAL 284 N 0.00 2.46 -0.03 1.61 -7.23 -1.26 -5.04 120.40 110.91 3a2k s VAL 284 Ca 0.00 0.15 -0.10 0.00 -1.81 0.00 0.00 61.98 60.21 3a2k s VAL 284 Cb 0.00 -3.10 -0.06 0.00 0.56 0.00 0.00 36.38 33.78 3a2k s VAL 284 CO 0.00 -0.19 0.55 -0.65 -0.31 0.00 0.00 175.10 174.50 3a2k h PRO 285 N -1.00 -0.36 -2.33 4.82 0.11 -2.03 -3.35 132.00 127.85 3a2k h PRO 285 Ca -0.46 0.02 -0.43 0.00 0.11 0.00 0.00 66.00 65.24 3a2k h PRO 285 Cb 1.31 0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.43 3a2k h PRO 285 CO 0.65 -0.24 1.19 -0.35 -0.21 0.00 0.00 178.00 179.03 3a2k n PRO 286 N -4.17 2.81 -0.09 1.05 -0.04 -1.26 -4.35 135.00 128.95 3a2k n PRO 286 Ca -0.05 -1.82 0.04 0.00 -0.04 0.00 0.00 63.50 61.63 3a2k n PRO 286 Cb 0.15 -2.31 0.08 0.00 -0.04 0.00 0.00 33.50 31.38 3a2k n PRO 286 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3a2k n THR 287 N 2.42 1.33 -0.39 0.52 5.66 -1.26 -4.79 114.28 117.76 3a2k n THR 287 Ca 0.56 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.18 3a2k n THR 287 Cb 0.60 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 3a2k n THR 287 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3a2k n LEU 288 N -0.54 0.00 0.00 1.09 4.77 -1.26 -4.60 117.00 116.46 3a2k n LEU 288 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3a2k n LEU 288 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3a2k n LEU 288 CO 0.03 0.00 0.07 0.35 -1.33 0.00 0.00 177.39 176.51 3a2k n THR 289 N 0.14 0.00 0.00 -5.08 -2.24 -1.26 -0.95 114.28 104.88 3a2k n THR 289 Ca 0.00 0.62 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 3a2k n THR 289 Cb 0.00 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 3a2k n THR 289 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a2k n SER 290 N -0.30 0.00 -0.09 3.42 7.64 -1.26 0.20 113.62 123.23 3a2k n SER 290 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 3a2k n SER 290 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3a2k n SER 290 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3a2k h VAL 291 N 0.00 0.23 0.18 0.44 -1.51 -1.71 -0.80 116.25 113.09 3a2k h VAL 291 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 3a2k h VAL 291 Cb 0.00 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 3a2k h VAL 291 CO 0.00 0.00 -0.09 0.45 -1.23 0.00 0.00 177.57 176.70 3a2k h HIS 292 N -0.29 -0.23 -0.75 5.19 3.86 0.41 -1.41 115.15 121.93 3a2k h HIS 292 Ca 0.15 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.53 3a2k h HIS 292 Cb 0.55 0.08 -0.13 0.00 1.06 0.00 0.00 27.41 28.96 3a2k h HIS 292 CO -0.52 -0.14 0.03 0.82 0.86 0.00 0.00 177.93 178.98 3a2k h ILE 293 N -0.60 0.36 -0.20 2.45 2.04 -1.05 0.40 117.51 120.91 3a2k h ILE 293 Ca -0.03 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3a2k h ILE 293 Cb 0.19 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 3a2k h ILE 293 CO 0.04 0.02 -0.46 1.23 0.00 0.00 0.00 178.15 178.98 3a2k h GLY 294 N 0.12 -0.78 0.43 5.37 0.00 -1.17 -1.51 103.07 105.53 3a2k h GLY 294 Ca 0.42 0.57 0.07 0.00 0.00 0.00 0.00 47.33 48.39 3a2k h GLY 294 CO -0.65 -0.21 0.02 0.45 0.00 0.00 0.00 176.54 176.16 3a2k h HIS 295 N -0.48 0.02 -0.11 5.60 3.86 0.87 0.40 115.15 125.31 3a2k h HIS 295 Ca 0.08 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3a2k h HIS 295 Cb 0.63 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 3a2k h HIS 295 CO -0.55 -0.05 -0.19 0.82 0.86 0.00 0.00 177.93 178.82 3a2k h ILE 296 N 0.13 0.00 -0.91 2.45 1.08 -0.96 0.46 117.51 119.75 3a2k h ILE 296 Ca 0.18 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.90 3a2k h ILE 296 Cb 0.25 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.84 3a2k h ILE 296 CO -0.29 0.00 0.11 -0.07 -0.69 0.00 0.00 178.15 177.21 3a2k h LEU 297 N -0.16 -0.28 -0.45 1.44 4.07 -0.72 0.38 115.31 119.60 3a2k h LEU 297 Ca 0.02 0.24 0.02 0.00 0.08 0.00 0.00 57.88 58.24 3a2k h LEU 297 Cb 0.22 0.38 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3a2k h LEU 297 CO -0.19 -0.26 0.27 -0.03 -1.08 0.00 0.00 178.44 177.14 3a2k h MET 298 N 0.09 0.53 0.00 1.13 4.05 0.33 -2.20 114.93 118.85 3a2k h MET 298 Ca 0.56 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.95 3a2k h MET 298 Cb 1.14 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 3a2k h MET 298 CO -0.79 0.35 0.00 -0.11 0.23 0.00 0.00 176.91 176.59 3a2k n LEU 299 N -4.83 0.35 -0.01 3.39 -0.00 0.16 -1.65 117.00 114.41 3a2k n LEU 299 Ca 0.02 0.65 0.06 0.00 -0.00 0.00 0.00 56.01 56.74 3a2k n LEU 299 Cb 0.06 -0.68 -0.09 0.00 -0.00 0.00 0.00 43.42 42.71 3a2k n LEU 299 CO 0.33 -0.73 -0.62 0.00 -0.00 0.00 0.00 177.39 176.37 3a2k n GLU 301 N -1.88 0.09 -1.00 0.00 1.02 -0.88 -4.95 120.64 113.03 3a2k n GLU 301 Ca -0.02 0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 3a2k n GLU 301 Cb 0.29 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.21 3a2k n GLU 301 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3a2k n ARG 302 N -1.66 -0.00 -0.04 3.49 5.12 -0.66 -4.94 116.66 117.97 3a2k n ARG 302 Ca 0.04 -0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.75 3a2k n ARG 302 Cb 0.37 -1.00 -0.13 0.00 -1.16 0.00 0.00 32.46 30.53 3a2k n ARG 302 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a2k n GLY 303 N 3.50 -0.64 3.62 -0.13 0.00 -1.26 -4.90 105.19 105.37 3a2k n GLY 303 Ca -0.02 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3a2k n GLY 303 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a2k s ARG 304 N -2.49 3.67 0.24 1.61 0.52 -1.26 -4.91 118.95 116.33 3a2k s ARG 304 Ca -0.25 1.61 -0.05 0.00 -0.52 0.00 0.00 55.73 56.52 3a2k s ARG 304 Cb 0.07 -4.08 0.27 0.00 0.52 0.00 0.00 34.95 31.72 3a2k s ARG 304 CO 0.70 -1.45 1.81 -1.35 0.02 0.00 0.00 175.30 175.03 3a2k h PRO 305 N 11.34 1.05 -6.27 3.54 0.11 -1.92 -3.41 132.00 136.44 3a2k h PRO 305 Ca -0.34 -0.19 -0.56 0.00 0.11 0.00 0.00 66.00 65.02 3a2k h PRO 305 Cb 1.16 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3a2k h PRO 305 CO 1.01 0.87 0.59 -1.12 -0.21 0.00 0.00 178.00 179.14 3a2k s SER 306 N -6.44 7.21 -0.29 -2.05 0.01 -1.26 -3.29 113.70 107.59 3a2k s SER 306 Ca -0.11 1.57 -0.07 0.00 1.31 0.00 0.00 55.95 58.65 3a2k s SER 306 Cb 0.16 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.97 3a2k s SER 306 CO 0.82 -0.47 0.61 -0.83 0.41 0.00 0.00 173.24 173.78 3a2k s GLY 307 N 1.16 -0.75 0.08 3.44 0.00 -1.21 -4.98 107.32 105.05 3a2k s GLY 307 Ca 0.49 2.12 0.04 0.00 0.00 0.00 0.00 44.72 47.37 3a2k s GLY 307 CO 0.18 3.08 0.03 1.06 0.00 0.00 0.00 173.10 177.45 3a2k s MET 308 N 2.86 2.69 -0.10 2.90 -1.94 -1.26 -2.00 119.30 122.45 3a2k s MET 308 Ca 0.01 -0.76 -0.06 0.00 -1.71 0.00 0.00 55.69 53.17 3a2k s MET 308 Cb -0.13 -2.62 0.04 0.00 2.01 0.00 0.00 34.83 34.13 3a2k s MET 308 CO -0.19 0.56 0.24 0.42 -0.01 0.00 0.00 175.02 176.04 3a2k s ILE 309 N -1.32 -0.03 -0.16 2.53 1.01 -0.78 -5.00 121.20 117.45 3a2k s ILE 309 Ca 0.26 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 3a2k s ILE 309 Cb -0.12 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3a2k s ILE 309 CO 0.19 0.04 0.10 -1.81 0.00 0.00 0.00 174.94 173.46 3a2k s ASP 310 N 0.94 6.02 0.41 3.58 1.01 -1.26 -2.14 116.67 125.22 3a2k s ASP 310 Ca -0.07 0.26 0.05 0.00 0.71 0.00 0.00 52.55 53.50 3a2k s ASP 310 Cb -0.08 -1.99 -0.06 0.00 1.01 0.00 0.00 42.92 41.80 3a2k s ASP 310 CO -0.06 0.27 0.03 -0.76 0.21 0.00 0.00 175.17 174.86 3a2k s LEU 311 N -0.19 2.54 0.51 1.23 1.43 0.15 -5.02 118.68 119.33 3a2k s LEU 311 Ca 0.09 -1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 51.53 3a2k s LEU 311 Cb -0.12 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 3a2k s LEU 311 CO 0.01 -0.59 1.30 -2.16 0.23 0.00 0.00 176.35 175.13 3a2k s PRO 312 N -3.78 3.40 -1.38 1.29 0.04 -1.26 -2.62 135.00 130.69 3a2k s PRO 312 Ca 0.30 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 3a2k s PRO 312 Cb 0.08 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3a2k s PRO 312 CO 0.15 -0.94 0.82 1.63 0.04 0.00 0.00 177.00 178.70 3a2k n LYS 313 N -0.76 -5.32 -2.27 4.56 5.02 -1.26 -2.94 118.16 115.20 3a2k n LYS 313 Ca 0.09 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.91 3a2k n LYS 313 Cb 0.46 -5.33 -0.01 0.00 -0.02 0.00 0.00 35.03 30.12 3a2k n LYS 313 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a2k n GLY 314 N -1.62 -0.28 3.74 0.72 0.00 -1.08 -4.90 105.19 101.77 3a2k n GLY 314 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3a2k n GLY 314 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a2k s LEU 315 N -5.14 4.54 0.04 0.99 0.20 -1.09 -4.65 118.68 113.58 3a2k s LEU 315 Ca 0.00 1.96 0.07 0.00 0.69 0.00 0.00 54.13 56.85 3a2k s LEU 315 Cb 0.00 -3.60 -0.03 0.00 -0.43 0.00 0.00 46.19 42.13 3a2k s LEU 315 CO 0.00 -0.05 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.27 3a2k s LYS 316 N -0.56 1.34 -0.08 1.98 1.02 -0.95 0.32 119.74 122.82 3a2k s LYS 316 Ca 0.46 -0.93 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 3a2k s LYS 316 Cb -0.26 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3a2k s LYS 316 CO 0.33 0.37 -0.04 0.08 -0.92 0.00 0.00 175.35 175.16 3a2k s VAL 317 N -0.81 0.68 -0.03 3.17 1.01 -0.91 -2.29 120.40 121.22 3a2k s VAL 317 Ca 0.07 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3a2k s VAL 317 Cb -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 3a2k s VAL 317 CO 0.02 0.29 -0.15 -0.63 0.00 0.00 0.00 175.10 174.63 3a2k s ILE 318 N 1.53 1.23 -0.16 2.22 1.09 -0.33 -1.87 121.20 124.90 3a2k s ILE 318 Ca -0.00 -0.63 -0.04 0.00 -1.10 0.00 0.00 60.65 58.87 3a2k s ILE 318 Cb -0.13 -1.05 -0.03 0.00 -1.06 0.00 0.00 42.46 40.19 3a2k s ILE 318 CO -0.04 0.35 -0.02 -0.60 -0.10 0.00 0.00 174.94 174.53 3a2k s ARG 319 N -0.11 3.70 -0.42 2.79 3.52 -0.85 -0.31 118.95 127.26 3a2k s ARG 319 Ca 0.01 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 3a2k s ARG 319 Cb -0.09 -2.96 0.12 0.00 -1.56 0.00 0.00 34.95 30.46 3a2k s ARG 319 CO 0.01 0.23 0.16 0.45 -0.81 0.00 0.00 175.30 175.34 3a2k s SER 320 N 0.41 4.39 0.73 -2.12 0.15 -1.14 -3.34 113.70 112.78 3a2k s SER 320 Ca -0.03 -2.53 0.00 0.00 0.70 0.00 0.00 55.95 54.09 3a2k s SER 320 Cb -0.14 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 3a2k s SER 320 CO 0.03 -0.31 0.00 -1.22 1.20 0.00 0.00 173.24 172.94 3a2k n TYR 321 N 3.74 0.00 0.74 3.44 4.02 -1.21 -0.86 117.16 127.04 3a2k n TYR 321 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.02 3a2k n TYR 321 Cb 0.37 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 3a2k n TYR 321 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3a2k n ASP 322 N 6.59 1.63 -4.94 7.72 -0.08 -1.26 -4.94 116.55 121.27 3a2k n ASP 322 Ca 0.00 -1.31 -0.25 0.00 -1.51 0.00 0.00 54.79 51.72 3a2k n ASP 322 Cb 0.00 0.49 0.02 0.00 2.34 0.00 0.00 41.12 43.97 3a2k n ASP 322 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3a2k s ARG 323 N -1.97 2.93 -0.35 -0.67 3.52 -0.04 -0.89 118.95 121.48 3a2k s ARG 323 Ca 0.13 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 3a2k s ARG 323 Cb 0.13 -2.41 0.14 0.00 -1.56 0.00 0.00 34.95 31.25 3a2k s ARG 323 CO 0.43 -0.53 0.28 0.00 -0.81 0.00 0.00 175.30 174.67 3a2k s LEU 325 N 1.38 4.28 -0.39 0.00 1.43 0.57 -2.02 118.68 123.93 3a2k s LEU 325 Ca 0.16 1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 55.01 3a2k s LEU 325 Cb -0.19 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.54 3a2k s LEU 325 CO -0.06 -0.60 0.20 -0.36 0.23 0.00 0.00 176.35 175.76 3a2k s PHE 326 N 2.28 3.33 -0.08 0.29 0.40 -0.52 -1.19 117.98 122.49 3a2k s PHE 326 Ca 0.56 -1.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.33 3a2k s PHE 326 Cb -0.25 -2.73 0.03 0.00 0.51 0.00 0.00 43.02 40.58 3a2k s PHE 326 CO 0.22 -0.81 -0.03 -0.08 0.70 0.00 0.00 175.22 175.22 3a2k s THR 327 N 1.40 0.62 -0.78 0.64 -1.32 -0.97 -3.50 115.64 111.71 3a2k s THR 327 Ca 0.02 -0.04 0.27 0.00 -1.21 0.00 0.00 61.69 60.72 3a2k s THR 327 Cb -0.22 -0.71 0.26 0.00 -1.51 0.00 0.00 72.50 70.32 3a2k s THR 327 CO 0.02 0.30 1.78 2.22 -2.21 0.00 0.00 174.62 176.72 3a2k n PHE 328 N 4.98 0.72 0.00 9.09 -0.00 -1.26 -2.23 117.46 128.76 3a2k n PHE 328 Ca -0.10 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 3a2k n PHE 328 Cb 0.50 -0.83 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 3a2k n PHE 328 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3a2k n ASP 329 N -2.10 0.00 0.00 5.98 2.03 -1.26 -4.49 116.55 116.71 3a2k n ASP 329 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3a2k n ASP 329 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3a2k n ASP 329 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a2k n ALA 330 N -3.00 0.00 0.00 -1.67 0.00 -1.26 -4.98 120.51 109.60 3a2k n ALA 330 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3a2k n ALA 330 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3a2k n ALA 330 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a2k n GLU 331 N -0.10 0.00 -2.96 0.00 1.02 -1.26 -4.98 120.64 112.36 3a2k n GLU 331 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 3a2k n GLU 331 Cb 0.00 -0.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 3a2k n GLU 331 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3a2k s SER 332 N -4.49 7.15 0.00 1.62 0.01 -1.26 -4.54 113.70 112.20 3a2k s SER 332 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 3a2k s SER 332 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3a2k s SER 332 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 3a2k n GLY 333 N 2.75 0.97 0.00 3.44 0.00 -1.26 -5.20 105.19 105.89 3a2k n GLY 333 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3a2k n GLY 333 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a2k n GLU 334 N 0.00 0.00 -3.73 1.61 1.02 -1.26 -5.16 120.64 113.12 3a2k n GLU 334 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3a2k n GLU 334 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 3a2k n GLU 334 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a2k n LYS 335 N 0.97 0.27 0.00 3.49 5.02 -1.26 -5.13 118.16 121.53 3a2k n LYS 335 Ca 0.00 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 3a2k n LYS 335 Cb 0.00 1.32 0.00 0.00 -0.02 0.00 0.00 35.03 36.33 3a2k n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a2k n GLY 336 N -0.78 3.04 3.61 0.72 0.00 -1.26 -5.10 105.19 105.42 3a2k n GLY 336 Ca 0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 3a2k n GLY 336 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a2k s TYR 337 N -2.88 -0.13 -0.10 1.61 -0.00 -1.26 -5.00 117.35 109.59 3a2k s TYR 337 Ca 0.00 0.16 -0.04 0.00 -0.00 0.00 0.00 57.07 57.19 3a2k s TYR 337 Cb 0.00 0.50 0.05 0.00 -0.00 0.00 0.00 41.96 42.51 3a2k s TYR 337 CO 0.00 -0.16 0.19 -0.46 -0.00 0.00 0.00 175.55 175.13 3a2k s TRP 338 N -1.70 -0.26 0.02 -3.49 -0.11 -1.26 -1.16 118.94 110.99 3a2k s TRP 338 Ca 0.07 0.71 0.04 0.00 1.22 0.00 0.00 56.10 58.14 3a2k s TRP 338 Cb -0.01 -0.15 -0.02 0.00 -1.50 0.00 0.00 33.47 31.80 3a2k s TRP 338 CO -0.05 -0.28 -0.11 -0.06 -4.62 0.00 0.00 176.95 171.84 3a2k s PHE 339 N 2.09 0.95 0.52 5.86 2.99 -0.64 -5.01 117.98 124.75 3a2k s PHE 339 Ca -0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 56.93 56.45 3a2k s PHE 339 Cb -0.12 -0.58 -0.07 0.00 0.00 0.00 0.00 43.02 42.25 3a2k s PHE 339 CO -0.07 -0.00 1.02 -1.21 -0.00 0.00 0.00 175.22 174.96 3a2k s GLU 340 N -0.88 3.71 -0.48 0.44 2.02 -1.26 -1.20 118.70 121.05 3a2k s GLU 340 Ca 0.00 1.18 -0.06 0.00 0.02 0.00 0.00 54.97 56.11 3a2k s GLU 340 Cb -0.07 -2.09 0.13 0.00 0.10 0.00 0.00 34.13 32.20 3a2k s GLU 340 CO 0.01 -0.48 0.32 -1.17 0.02 0.00 0.00 175.26 173.95 3a2k s LEU 341 N -3.96 5.51 0.30 1.80 2.96 1.80 -4.80 118.68 122.30 3a2k s LEU 341 Ca 0.63 -2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 52.13 3a2k s LEU 341 Cb -0.14 -1.93 -0.10 0.00 0.50 0.00 0.00 46.19 44.52 3a2k s LEU 341 CO 0.28 -0.59 1.39 -2.84 -1.32 0.00 0.00 176.35 173.27 3a2k s PRO 342 N 1.03 4.28 -0.03 0.98 0.02 -1.26 -4.04 135.00 135.98 3a2k s PRO 342 Ca 0.09 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.42 3a2k s PRO 342 Cb -0.23 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.23 3a2k s PRO 342 CO -0.03 -0.34 -0.02 0.54 -0.33 0.00 0.00 177.00 176.82 3a2k s VAL 343 N -0.63 0.34 0.53 3.83 0.11 -1.26 -3.68 120.40 119.64 3a2k s VAL 343 Ca 0.54 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 3a2k s VAL 343 Cb -0.42 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 3a2k s VAL 343 CO 0.50 0.18 0.99 -2.84 -3.33 0.00 0.00 175.10 170.60 3a2k s PRO 344 N 0.89 3.90 -0.12 1.54 0.02 -1.26 -5.04 135.00 134.92 3a2k s PRO 344 Ca -0.10 0.94 -0.33 0.00 0.02 0.00 0.00 61.00 61.52 3a2k s PRO 344 Cb -0.13 -2.13 0.13 0.00 0.02 0.00 0.00 34.50 32.39 3a2k s PRO 344 CO -0.01 -0.32 1.27 0.00 -0.33 0.00 0.00 177.00 177.62 3a2k s ALA 345 N -2.68 -2.18 -0.45 -1.55 0.00 -1.09 -4.99 121.76 108.82 3a2k s ALA 345 Ca 0.59 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.79 3a2k s ALA 345 Cb -0.10 0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.22 3a2k s ALA 345 CO 0.34 -0.81 0.19 -1.17 0.00 0.00 0.00 175.76 174.31 3a2k s LEU 346 N -2.55 4.12 -0.25 0.00 0.20 -1.26 -2.25 118.68 116.69 3a2k s LEU 346 Ca 0.12 -2.65 -0.17 0.00 0.69 0.00 0.00 54.13 52.11 3a2k s LEU 346 Cb 0.02 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 3a2k s LEU 346 CO -0.04 -0.29 0.49 -0.22 -0.29 0.00 0.00 176.35 176.00 3a2k s LEU 347 N 0.23 4.07 -0.05 -0.68 0.20 -0.80 -4.98 118.68 116.67 3a2k s LEU 347 Ca 0.15 0.51 -0.19 0.00 0.69 0.00 0.00 54.13 55.29 3a2k s LEU 347 Cb -0.23 -2.62 -0.05 0.00 -0.43 0.00 0.00 46.19 42.85 3a2k s LEU 347 CO -0.04 -0.24 0.52 -2.16 -0.29 0.00 0.00 176.35 174.14 3a2k s PRO 348 N 2.11 4.27 -0.04 0.98 0.05 -1.26 -1.16 135.00 139.95 3a2k s PRO 348 Ca 0.21 0.57 0.01 0.00 0.05 0.00 0.00 61.00 61.83 3a2k s PRO 348 Cb -0.16 -3.37 -0.03 0.00 0.05 0.00 0.00 34.50 30.99 3a2k s PRO 348 CO 0.09 0.32 -0.02 -0.51 0.05 0.00 0.00 177.00 176.93 3a2k s LEU 349 N 0.06 3.42 0.00 -3.56 1.43 0.00 -4.98 118.68 115.05 3a2k s LEU 349 Ca 0.28 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3a2k s LEU 349 Cb -0.17 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3a2k s LEU 349 CO 0.14 0.33 0.21 -2.65 0.23 0.00 0.00 176.35 174.60 3a2k n PRO 350 N 1.80 0.00 -2.56 1.29 -0.02 -1.26 -2.23 135.00 132.03 3a2k n PRO 350 Ca -0.17 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 3a2k n PRO 350 Cb 0.53 -1.38 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 3a2k n PRO 350 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3a2k n ASN 351 N -0.65 4.81 -0.26 2.55 6.94 -1.26 -4.95 115.26 122.44 3a2k n ASN 351 Ca 0.00 -3.72 -0.02 0.00 -0.02 0.00 0.00 54.58 50.82 3a2k n ASN 351 Cb 0.00 -0.51 -0.01 0.00 -2.36 0.00 0.00 39.78 36.90 3a2k n ASN 351 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a2k n GLY 352 N -0.43 0.19 2.67 4.83 0.00 -0.94 -4.85 105.19 106.65 3a2k n GLY 352 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 3a2k n GLY 352 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a2k n TYR 353 N -1.07 0.85 -3.55 1.61 4.02 -1.24 -2.34 117.16 115.44 3a2k n TYR 353 Ca -0.02 -1.84 -0.07 0.00 -0.01 0.00 0.00 57.90 55.96 3a2k n TYR 353 Cb 0.25 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 3a2k n TYR 353 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3a2k s ALA 354 N -2.64 -1.90 -0.03 -0.72 0.00 0.15 -0.82 121.76 115.80 3a2k s ALA 354 Ca 0.00 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.16 3a2k s ALA 354 Cb -0.00 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3a2k s ALA 354 CO 0.00 -0.69 -0.17 0.42 0.00 0.00 0.00 175.76 175.33 3a2k s ILE 355 N -2.89 2.85 -0.12 0.00 1.01 -0.31 -0.52 121.20 121.22 3a2k s ILE 355 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3a2k s ILE 355 Cb -0.01 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.36 3a2k s ILE 355 CO -0.07 0.56 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 3a2k s ILE 356 N -0.73 1.81 -0.03 2.92 1.01 -0.16 -1.90 121.20 124.12 3a2k s ILE 356 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3a2k s ILE 356 Cb -0.10 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 3a2k s ILE 356 CO 0.01 0.50 -0.12 -0.94 0.00 0.00 0.00 174.94 174.39 3a2k s SER 357 N 0.80 4.22 0.25 3.58 1.04 -0.96 -0.82 113.70 121.81 3a2k s SER 357 Ca -0.09 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 3a2k s SER 357 Cb -0.16 -0.91 0.01 0.00 0.10 0.00 0.00 66.02 65.06 3a2k s SER 357 CO 0.00 0.32 0.57 -1.83 0.98 0.00 0.00 173.24 173.28 3a2k s GLU 358 N -0.98 1.59 0.10 4.02 -1.05 -0.70 -2.68 118.70 119.00 3a2k s GLU 358 Ca 0.13 -1.08 0.03 0.00 -0.15 0.00 0.00 54.97 53.90 3a2k s GLU 358 Cb -0.11 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 3a2k s GLU 358 CO 0.03 -0.69 0.11 -0.06 0.95 0.00 0.00 175.26 175.59 3a2k s PHE 359 N -3.95 3.20 -0.16 4.83 0.40 -1.26 -0.99 117.98 120.05 3a2k s PHE 359 Ca 0.16 0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.51 3a2k s PHE 359 Cb -0.03 -1.60 0.08 0.00 0.51 0.00 0.00 43.02 41.99 3a2k s PHE 359 CO 0.06 0.52 0.23 0.20 0.70 0.00 0.00 175.22 176.94 3a2k s GLY 360 N -2.61 -0.05 0.12 4.36 0.00 -0.61 -4.96 107.32 103.56 3a2k s GLY 360 Ca 0.30 0.56 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 3a2k s GLY 360 CO 0.23 2.05 1.60 -2.09 0.00 0.00 0.00 173.10 174.88 3a2k h GLU 361 N 8.31 -0.54 -6.84 2.90 4.57 -1.87 -2.69 114.58 118.42 3a2k h GLU 361 Ca -0.16 0.04 -0.47 0.00 -1.18 0.00 0.00 59.36 57.60 3a2k h GLU 361 Cb 1.13 0.12 0.04 0.00 -0.16 0.00 0.00 28.75 29.88 3a2k h GLU 361 CO 0.21 -0.36 -0.00 -1.01 -1.18 0.00 0.00 179.01 176.67 3a2k s HIS 362 N -5.95 3.25 0.31 0.92 3.76 -1.26 -4.63 115.29 111.69 3a2k s HIS 362 Ca -0.16 0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.86 3a2k s HIS 362 Cb 0.08 -2.44 -0.09 0.00 1.11 0.00 0.00 32.58 31.24 3a2k s HIS 362 CO 0.64 -0.50 1.08 -0.47 -0.85 0.00 0.00 174.74 174.65 3a2k s TYR 363 N -2.70 3.50 0.28 1.40 5.04 -1.26 -4.86 117.35 118.75 3a2k s TYR 363 Ca 0.50 1.69 -0.30 0.00 -2.44 0.00 0.00 57.07 56.52 3a2k s TYR 363 Cb -0.10 -3.24 -0.13 0.00 0.35 0.00 0.00 41.96 38.84 3a2k s TYR 363 CO 0.40 -0.56 1.29 -2.30 -1.34 0.00 0.00 175.55 173.05 3a2k n PRO 364 N 0.85 1.92 0.00 4.97 -0.02 -1.26 -4.93 135.00 136.53 3a2k n PRO 364 Ca 0.01 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3a2k n PRO 364 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3a2k n PRO 364 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a2k n ARG 365 N 1.27 0.10 -2.00 -0.52 1.74 -1.26 -5.06 116.66 110.93 3a2k n ARG 365 Ca 0.09 -0.73 -0.37 0.00 -0.77 0.00 0.00 57.85 56.06 3a2k n ARG 365 Cb 0.33 -0.96 0.02 0.00 -1.02 0.00 0.00 32.46 30.83 3a2k n ARG 365 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3a2k s LYS 366 N -0.26 3.35 0.70 5.56 -2.85 -1.26 -4.94 119.74 120.05 3a2k s LYS 366 Ca 0.00 1.99 -0.17 0.00 -1.00 0.00 0.00 55.97 56.79 3a2k s LYS 366 Cb 0.00 -2.27 -0.13 0.00 -2.06 0.00 0.00 37.83 33.38 3a2k s LYS 366 CO 0.00 -0.94 -0.20 1.04 0.10 0.00 0.00 175.35 175.35 3a2k n GLN 367 N -0.90 0.06 -1.32 1.78 6.02 -1.26 -4.87 117.38 116.89 3a2k n GLN 367 Ca 0.10 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.75 3a2k n GLN 367 Cb 0.47 -1.17 0.06 0.00 1.02 0.00 0.00 30.24 30.61 3a2k n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a2k n ALA 368 N -2.00 -1.53 0.00 -1.58 0.00 -1.26 -4.91 120.51 109.23 3a2k n ALA 368 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3a2k n ALA 368 Cb 0.50 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3a2k n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2k n GLY 369 N 1.76 -0.65 0.00 0.00 0.00 -1.26 -5.05 105.19 99.99 3a2k n GLY 369 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3a2k n GLY 369 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a2k n ASN 370 N 0.00 0.00 -0.59 1.61 5.15 -1.26 -4.82 115.26 115.35 3a2k n ASN 370 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 3a2k n ASN 370 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 3a2k n ASN 370 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3a2k n ASP 371 N -0.69 1.46 -3.97 1.20 9.92 -1.26 -3.13 116.55 120.07 3a2k n ASP 371 Ca 0.00 -2.11 -0.08 0.00 -0.53 0.00 0.00 54.79 52.07 3a2k n ASP 371 Cb 0.00 -0.40 -0.09 0.00 -0.64 0.00 0.00 41.12 39.99 3a2k n ASP 371 CO 0.00 0.00 0.00 -1.66 0.13 0.00 0.00 177.20 175.67 3a2k s TRP 372 N -1.45 0.31 -0.28 1.24 1.48 -1.26 0.93 118.94 119.92 3a2k s TRP 372 Ca 0.09 -0.73 -0.21 0.00 -1.06 0.00 0.00 56.10 54.19 3a2k s TRP 372 Cb 0.06 -0.22 0.09 0.00 -1.16 0.00 0.00 33.47 32.24 3a2k s TRP 372 CO 0.03 -0.40 0.76 0.12 -4.06 0.00 0.00 176.95 173.41 3a2k s PHE 373 N -3.29 -0.84 -0.12 1.66 5.36 -0.10 -4.95 117.98 115.70 3a2k s PHE 373 Ca 0.01 1.86 0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3a2k s PHE 373 Cb 0.03 0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 43.12 3a2k s PHE 373 CO -0.08 -0.41 -0.16 0.08 -1.46 0.00 0.00 175.22 173.19 3a2k s VAL 374 N 0.90 2.77 0.01 3.12 1.01 -1.26 -1.34 120.40 125.60 3a2k s VAL 374 Ca -0.04 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.23 3a2k s VAL 374 Cb -0.05 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3a2k s VAL 374 CO -0.09 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 3a2k s VAL 375 N 0.29 1.38 -0.29 2.92 1.01 -0.95 0.71 120.40 125.46 3a2k s VAL 375 Ca -0.12 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 3a2k s VAL 375 Cb -0.16 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3a2k s VAL 375 CO 0.06 0.28 0.56 -0.62 0.00 0.00 0.00 175.10 175.38 3a2k s ASP 376 N -0.70 6.44 0.20 3.32 3.68 -1.26 -1.61 116.67 126.74 3a2k s ASP 376 Ca 0.06 0.40 -0.15 0.00 2.13 0.00 0.00 52.55 54.99 3a2k s ASP 376 Cb -0.07 -2.30 0.20 0.00 -1.45 0.00 0.00 42.92 39.30 3a2k s ASP 376 CO 0.00 -0.40 1.62 -0.65 0.13 0.00 0.00 175.17 175.88 3a2k h PRO 377 N 8.15 -0.03 0.00 4.34 0.11 -1.89 -3.06 132.00 139.62 3a2k h PRO 377 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a2k h PRO 377 Cb 1.13 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3a2k h PRO 377 CO 0.76 -0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3a2k n ALA 378 N -3.04 0.00 0.00 -0.75 0.00 -1.26 -3.24 120.51 112.23 3a2k n ALA 378 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3a2k n ALA 378 Cb 0.32 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3a2k n ALA 378 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a2k n SER 379 N -0.65 0.00 -3.66 0.00 3.41 -1.16 -4.49 113.62 107.07 3a2k n SER 379 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3a2k n SER 379 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3a2k n SER 379 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a2k s VAL 380 N -1.11 0.02 -0.09 -3.33 0.11 -1.20 -5.01 120.40 109.78 3a2k s VAL 380 Ca 0.00 -0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 3a2k s VAL 380 Cb 0.00 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 3a2k s VAL 380 CO 0.00 -0.10 1.00 -0.94 -3.33 0.00 0.00 175.10 171.73 3a2k s SER 381 N -0.83 7.25 0.59 3.54 1.04 -1.26 -4.86 113.70 119.18 3a2k s SER 381 Ca -0.09 1.54 0.04 0.00 0.48 0.00 0.00 55.95 57.92 3a2k s SER 381 Cb -0.03 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.61 3a2k s SER 381 CO 0.05 -0.42 0.81 -0.76 0.98 0.00 0.00 173.24 173.91 3a2k s LEU 382 N 1.87 3.19 0.00 2.42 1.43 -1.26 -1.35 118.68 124.98 3a2k s LEU 382 Ca 0.48 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 3a2k s LEU 382 Cb -0.19 -2.17 0.21 0.00 0.03 0.00 0.00 46.19 44.07 3a2k s LEU 382 CO 0.19 -1.37 1.08 -2.65 0.23 0.00 0.00 176.35 173.83 3a2k n PRO 383 N -2.39 -1.60 -3.80 1.29 -0.02 -1.26 -4.47 135.00 122.76 3a2k n PRO 383 Ca 0.13 -1.68 -0.36 0.00 -2.02 0.00 0.00 63.50 59.57 3a2k n PRO 383 Cb 0.60 -1.23 -0.10 0.00 -0.02 0.00 0.00 33.50 32.75 3a2k n PRO 383 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a2k s LEU 384 N 0.00 3.93 -0.04 2.45 1.43 -1.26 -1.84 118.68 123.36 3a2k s LEU 384 Ca 0.63 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 3a2k s LEU 384 Cb -0.03 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3a2k s LEU 384 CO 0.45 0.10 0.07 -0.13 0.23 0.00 0.00 176.35 177.08 3a2k s ARG 385 N 0.81 3.11 -0.15 1.70 3.00 -0.36 0.49 118.95 127.55 3a2k s ARG 385 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 55.73 55.38 3a2k s ARG 385 Cb -0.13 -2.90 0.03 0.00 0.00 0.00 0.00 34.95 31.95 3a2k s ARG 385 CO 0.02 0.68 -0.11 0.54 0.00 0.00 0.00 175.30 176.44 3a2k s VAL 386 N -1.10 1.37 0.32 3.52 0.11 -0.34 0.28 120.40 124.56 3a2k s VAL 386 Ca 0.19 -0.58 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 3a2k s VAL 386 Cb -0.12 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 3a2k s VAL 386 CO 0.10 0.36 0.27 0.00 -3.33 0.00 0.00 175.10 172.50 3a2k s ARG 387 N 1.56 1.71 0.48 1.54 1.04 -0.19 -1.63 118.95 123.46 3a2k s ARG 387 Ca 0.04 -1.97 -0.06 0.00 -1.04 0.00 0.00 55.73 52.70 3a2k s ARG 387 Cb -0.13 0.33 -0.04 0.00 -2.04 0.00 0.00 34.95 33.06 3a2k s ARG 387 CO -0.09 -0.63 0.80 0.95 -0.04 0.00 0.00 175.30 176.28 3a2k s THR 388 N -3.50 4.88 0.78 4.99 -4.23 -0.31 -0.04 115.64 118.22 3a2k s THR 388 Ca 0.40 0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 61.07 3a2k s THR 388 Cb 0.03 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 70.05 3a2k s THR 388 CO 0.26 -0.82 0.87 -2.11 -0.54 0.00 0.00 174.62 172.28 3a2k n ARG 389 N -2.15 0.24 -3.76 3.99 1.85 -1.26 -4.90 116.66 110.67 3a2k n ARG 389 Ca 0.01 0.14 -0.14 0.00 -1.00 0.00 0.00 57.85 56.86 3a2k n ARG 389 Cb 0.55 -2.15 -0.15 0.00 -1.05 0.00 0.00 32.46 29.65 3a2k n ARG 389 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3a2k s ARG 390 N -3.51 0.02 0.00 2.89 3.52 -1.26 -5.07 118.95 115.54 3a2k s ARG 390 Ca 0.69 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 3a2k s ARG 390 Cb -0.31 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 3a2k s ARG 390 CO 0.55 -0.17 0.00 0.54 -0.81 0.00 0.00 175.30 175.41 3a2k n ARG 391 N 4.18 0.00 -0.19 5.12 1.74 -1.26 -0.93 116.66 125.33 3a2k n ARG 391 Ca -0.27 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3a2k n ARG 391 Cb 0.51 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.12 3a2k n ARG 391 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a2k n GLY 392 N -0.32 4.72 3.62 -0.13 0.00 -1.26 -4.99 105.19 106.82 3a2k n GLY 392 Ca 0.00 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3a2k n GLY 392 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a2k n ASP 393 N -1.22 1.44 -3.61 1.61 8.00 -0.10 -4.90 116.55 117.77 3a2k n ASP 393 Ca 0.18 1.08 -0.13 0.00 0.71 0.00 0.00 54.79 56.63 3a2k n ASP 393 Cb 0.70 -1.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.39 3a2k n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a2k s ARG 394 N -1.91 1.68 0.11 -1.24 1.70 -1.26 -1.36 118.95 116.67 3a2k s ARG 394 Ca 0.61 -1.63 -0.05 0.00 -0.47 0.00 0.00 55.73 54.19 3a2k s ARG 394 Cb -0.59 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.22 3a2k s ARG 394 CO 0.58 -0.67 0.25 0.00 -1.08 0.00 0.00 175.30 174.38 3a2k n MET 395 N -0.47 0.32 -4.07 3.89 0.00 -0.76 -4.53 117.12 111.49 3a2k n MET 395 Ca 0.01 -0.63 -0.13 0.00 0.00 0.00 0.00 57.70 56.95 3a2k n MET 395 Cb 0.62 0.79 -0.13 0.00 0.00 0.00 0.00 33.22 34.51 3a2k n MET 395 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3a2k s VAL 396 N -2.67 0.39 -0.15 3.17 -7.23 -1.26 -0.58 120.40 112.07 3a2k s VAL 396 Ca 0.05 -0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 3a2k s VAL 396 Cb -0.01 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 3a2k s VAL 396 CO 0.03 -0.17 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.87 3a2k s LEU 397 N -0.87 3.37 0.06 1.32 1.43 -0.70 -1.27 118.68 122.03 3a2k s LEU 397 Ca -0.05 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3a2k s LEU 397 Cb -0.06 -1.81 0.09 0.00 0.03 0.00 0.00 46.19 44.43 3a2k s LEU 397 CO -0.00 0.20 0.35 1.17 0.23 0.00 0.00 176.35 178.30 3a2k n LYS 398 N 3.36 -0.03 0.00 1.70 4.81 0.11 -3.99 118.16 124.11 3a2k n LYS 398 Ca -0.17 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3a2k n LYS 398 Cb 0.53 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3a2k n LYS 398 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a2k n GLY 399 N -1.13 0.02 0.00 3.14 0.00 -1.26 -4.73 105.19 101.23 3a2k n GLY 399 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3a2k n GLY 399 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a2k n THR 400 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.84 114.28 109.75 3a2k n THR 400 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3a2k n THR 400 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3a2k n THR 400 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a2k n GLY 401 N 4.38 -0.08 0.00 3.41 0.00 -1.26 -4.37 105.19 107.27 3a2k n GLY 401 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a2k n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2k n GLY 402 N 0.00 0.33 3.63 -0.02 0.00 -1.26 -4.96 105.19 102.91 3a2k n GLY 402 Ca 0.00 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3a2k n GLY 402 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a2k s THR 403 N 0.00 4.16 0.01 2.61 2.01 -1.26 -1.71 115.64 121.46 3a2k s THR 403 Ca 0.00 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 3a2k s THR 403 Cb 0.00 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 3a2k s THR 403 CO 0.00 0.58 0.04 -0.75 -0.69 0.00 0.00 174.62 173.79 3a2k s LYS 404 N -0.61 0.35 0.36 4.92 2.20 0.25 -4.97 119.74 122.24 3a2k s LYS 404 Ca 0.10 -0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 3a2k s LYS 404 Cb -0.12 0.14 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 3a2k s LYS 404 CO 0.02 -0.07 1.18 0.15 -0.36 0.00 0.00 175.35 176.27 3a2k s LYS 405 N -1.31 4.24 0.09 4.03 1.02 -1.26 -1.83 119.74 124.72 3a2k s LYS 405 Ca -0.14 1.90 -0.26 0.00 0.02 0.00 0.00 55.97 57.49 3a2k s LYS 405 Cb -0.08 -2.86 -0.13 0.00 -0.52 0.00 0.00 37.83 34.23 3a2k s LYS 405 CO -0.00 -0.18 1.69 -0.07 -0.92 0.00 0.00 175.35 175.87 3a2k h LEU 406 N 3.03 -0.35 -0.97 3.17 4.07 -1.56 -2.73 115.31 119.97 3a2k h LEU 406 Ca -0.48 0.03 0.17 0.00 0.08 0.00 0.00 57.88 57.68 3a2k h LEU 406 Cb 1.23 0.11 -0.17 0.00 1.08 0.00 0.00 40.66 42.91 3a2k h LEU 406 CO 0.64 -0.22 -0.32 0.50 -1.08 0.00 0.00 178.44 177.96 3a2k h LYS 407 N -0.33 -0.01 -0.75 1.13 3.11 -1.92 0.92 116.57 118.72 3a2k h LYS 407 Ca -0.01 0.00 0.16 0.00 -2.81 0.00 0.00 60.65 57.99 3a2k h LYS 407 Cb 0.29 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.47 3a2k h LYS 407 CO -0.01 -0.00 0.51 1.49 -2.81 0.00 0.00 179.45 178.62 3a2k h GLU 408 N -0.01 0.33 0.22 1.90 4.81 -1.87 -2.93 114.58 117.03 3a2k h GLU 408 Ca 0.40 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3a2k h GLU 408 Cb 0.65 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3a2k h GLU 408 CO -0.99 0.22 -0.10 0.82 -0.73 0.00 0.00 179.01 178.23 3a2k h ILE 409 N 0.34 0.28 -1.20 2.32 2.04 1.00 -2.88 117.51 119.41 3a2k h ILE 409 Ca 0.37 -0.92 0.37 0.00 1.00 0.00 0.00 64.86 65.68 3a2k h ILE 409 Cb 0.94 0.49 -0.12 0.00 -0.74 0.00 0.00 36.82 37.39 3a2k h ILE 409 CO -0.11 0.08 0.77 -0.26 0.00 0.00 0.00 178.15 178.63 3a2k h PHE 410 N -1.03 0.59 0.04 1.37 -1.00 -1.29 0.20 116.94 115.83 3a2k h PHE 410 Ca -0.03 0.02 -0.24 0.00 2.81 0.00 0.00 57.97 60.54 3a2k h PHE 410 Cb 0.35 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 3a2k h PHE 410 CO 0.03 -0.12 -1.13 0.82 -1.61 0.00 0.00 178.31 176.30 3a2k h ILE 411 N 0.20 1.59 -0.25 -0.55 2.04 -1.56 -2.23 117.51 116.75 3a2k h ILE 411 Ca 0.74 -3.26 -0.19 0.00 1.00 0.00 0.00 64.86 63.15 3a2k h ILE 411 Cb 2.16 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 41.10 3a2k h ILE 411 CO -0.39 0.93 -0.60 -0.33 0.00 0.00 0.00 178.15 177.76 3a2k h GLU 412 N 0.03 0.84 -0.94 2.37 5.08 -0.51 -2.48 114.58 118.96 3a2k h GLU 412 Ca -0.07 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 3a2k h GLU 412 Cb 1.85 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.19 3a2k h GLU 412 CO 0.15 1.20 0.00 0.00 -1.00 0.00 0.00 179.01 179.36 3a2k n ALA 413 N -2.58 2.57 -3.83 3.43 0.00 0.32 -4.92 120.51 115.50 3a2k n ALA 413 Ca -0.05 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3a2k n ALA 413 Cb 0.65 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3a2k n ALA 413 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a2k n LYS 414 N 0.01 -0.69 -3.56 0.00 5.02 -0.94 -4.91 118.16 113.10 3a2k n LYS 414 Ca 0.01 -0.21 -0.37 0.00 -2.02 0.00 0.00 58.31 55.72 3a2k n LYS 414 Cb 0.29 -0.83 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 3a2k n LYS 414 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a2k s ILE 415 N -4.20 5.19 0.71 -0.18 1.01 -0.88 -5.05 121.20 117.80 3a2k s ILE 415 Ca 0.21 0.68 -0.16 0.00 0.00 0.00 0.00 60.65 61.37 3a2k s ILE 415 Cb -0.12 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3a2k s ILE 415 CO 0.47 0.52 0.59 -2.65 0.00 0.00 0.00 174.94 173.88 3a2k n PRO 416 N 2.41 0.34 0.20 2.79 -0.02 -1.26 -4.74 135.00 134.72 3a2k n PRO 416 Ca -0.14 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.41 3a2k n PRO 416 Cb 0.53 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 3a2k n PRO 416 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a2k h ARG 417 N -0.33 -0.53 -1.31 -0.52 -0.00 -1.97 -1.90 114.38 107.82 3a2k h ARG 417 Ca -0.46 0.04 0.38 0.00 -0.50 0.00 0.00 59.98 59.44 3a2k h ARG 417 Cb 1.35 0.12 -0.05 0.00 0.00 0.00 0.00 29.97 31.39 3a2k h ARG 417 CO 0.43 -0.35 1.16 0.52 0.00 0.00 0.00 179.97 181.73 3a2k h MET 418 N -0.86 0.00 0.53 0.04 2.86 -2.01 1.39 114.93 116.89 3a2k h MET 418 Ca -0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3a2k h MET 418 Cb 0.42 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.09 3a2k h MET 418 CO 0.09 0.00 -0.26 0.93 1.06 0.00 0.00 176.91 178.74 3a2k h GLU 419 N 0.00 -0.69 -0.92 1.72 4.39 -1.84 -3.04 114.58 114.20 3a2k h GLU 419 Ca 0.62 0.05 0.27 0.00 0.34 0.00 0.00 59.36 60.63 3a2k h GLU 419 Cb 2.94 0.16 -0.15 0.00 -0.10 0.00 0.00 28.75 31.59 3a2k h GLU 419 CO -0.01 -0.39 0.29 0.00 -1.16 0.00 0.00 179.01 177.75 3a2k h ARG 420 N -1.05 0.19 0.43 2.33 2.47 0.27 0.87 114.38 119.88 3a2k h ARG 420 Ca -0.07 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3a2k h ARG 420 Cb 0.62 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3a2k h ARG 420 CO 0.12 0.12 -0.21 -0.44 0.56 0.00 0.00 179.97 180.13 3a2k h ASP 421 N 0.19 -0.49 0.19 7.04 3.32 -1.49 -3.03 116.42 122.16 3a2k h ASP 421 Ca 0.61 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3a2k h ASP 421 Cb 1.30 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3a2k h ASP 421 CO -0.68 -0.11 0.00 0.54 -1.72 0.00 0.00 179.24 177.26 3a2k n ARG 422 N -5.21 0.36 -2.19 3.56 1.74 -0.61 -4.38 116.66 109.93 3a2k n ARG 422 Ca -0.10 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 3a2k n ARG 422 Cb 0.29 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3a2k n ARG 422 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3a2k s TRP 423 N -2.35 3.16 0.08 -1.55 -0.11 0.20 -4.71 118.94 113.66 3a2k s TRP 423 Ca 0.20 1.46 -0.22 0.00 1.22 0.00 0.00 56.10 58.75 3a2k s TRP 423 Cb 0.12 -3.60 -0.07 0.00 -1.50 0.00 0.00 33.47 28.42 3a2k s TRP 423 CO 0.23 -1.61 0.67 -1.25 -4.62 0.00 0.00 176.95 170.38 3a2k s PRO 424 N -1.65 4.39 0.19 5.86 0.04 -1.26 -4.23 135.00 138.34 3a2k s PRO 424 Ca 0.48 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.53 3a2k s PRO 424 Cb -0.38 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 3a2k s PRO 424 CO 0.50 0.50 -0.04 0.42 0.04 0.00 0.00 177.00 178.42 3a2k s ILE 425 N -0.74 3.48 -0.20 0.56 1.09 0.94 -4.31 121.20 122.03 3a2k s ILE 425 Ca 0.33 -1.58 0.01 0.00 -1.10 0.00 0.00 60.65 58.30 3a2k s ILE 425 Cb -0.21 -2.76 0.04 0.00 -1.06 0.00 0.00 42.46 38.48 3a2k s ILE 425 CO 0.22 -0.15 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.12 3a2k s VAL 426 N -1.81 1.58 0.35 2.92 1.01 -1.01 -1.02 120.40 122.42 3a2k s VAL 426 Ca 0.27 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.35 3a2k s VAL 426 Cb -0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3a2k s VAL 426 CO 0.17 0.15 0.15 -1.83 0.00 0.00 0.00 175.10 173.74 3a2k s GLU 427 N 1.42 2.36 0.59 2.72 -1.05 0.14 0.35 118.70 125.24 3a2k s GLU 427 Ca -0.01 -1.57 0.01 0.00 -0.15 0.00 0.00 54.97 53.25 3a2k s GLU 427 Cb -0.16 -2.16 0.06 0.00 -0.44 0.00 0.00 34.13 31.42 3a2k s GLU 427 CO -0.08 0.09 0.82 0.16 0.95 0.00 0.00 175.26 177.20 3a2k s ASP 428 N -3.86 5.04 0.32 0.83 -4.77 -0.64 -1.23 116.67 112.37 3a2k s ASP 428 Ca 0.38 -0.16 0.09 0.00 -3.30 0.00 0.00 52.55 49.56 3a2k s ASP 428 Cb -0.02 -0.58 0.95 0.00 -1.09 0.00 0.00 42.92 42.19 3a2k s ASP 428 CO 0.23 -1.33 1.63 0.00 0.70 0.00 0.00 175.17 176.40 3a2k h ALA 429 N -0.06 1.64 0.00 2.11 0.00 -0.44 0.29 119.26 122.81 3a2k h ALA 429 Ca -0.40 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a2k h ALA 429 Cb 1.29 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3a2k h ALA 429 CO 0.48 -0.60 0.00 -0.25 0.00 0.00 0.00 179.25 178.88 3a2k n ASP 430 N -5.21 0.00 0.00 0.00 8.00 -1.26 -4.85 116.55 113.23 3a2k n ASP 430 Ca 0.28 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3a2k n ASP 430 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 3a2k n ASP 430 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a2k n GLY 431 N 0.42 0.88 3.71 0.44 0.00 0.10 -5.03 105.19 105.71 3a2k n GLY 431 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3a2k n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a2k s ARG 432 N -0.23 4.24 0.05 1.61 0.52 -1.26 -4.77 118.95 119.11 3a2k s ARG 432 Ca 0.00 2.24 -0.30 0.00 -0.52 0.00 0.00 55.73 57.15 3a2k s ARG 432 Cb 0.00 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 3a2k s ARG 432 CO 0.00 -0.60 1.03 0.42 0.02 0.00 0.00 175.30 176.17 3a2k s ILE 433 N 1.70 4.55 -0.17 1.52 1.01 -1.26 -1.62 121.20 126.93 3a2k s ILE 433 Ca 0.69 1.91 0.01 0.00 0.00 0.00 0.00 60.65 63.26 3a2k s ILE 433 Cb -0.40 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 37.74 3a2k s ILE 433 CO 0.31 0.19 -0.16 0.18 0.00 0.00 0.00 174.94 175.47 3a2k n LEU 434 N 3.54 2.89 -3.64 2.97 4.77 0.16 -4.78 117.00 122.91 3a2k n LEU 434 Ca 0.05 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 3a2k n LEU 434 Cb 0.49 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 3a2k n LEU 434 CO 0.53 0.77 0.62 0.86 -1.33 0.00 0.00 177.39 178.83 3a2k s TRP 435 N -2.34 -0.66 -0.51 -1.77 -0.00 -1.16 -1.26 118.94 111.24 3a2k s TRP 435 Ca -0.23 1.31 -0.07 0.00 -0.00 0.00 0.00 56.10 57.11 3a2k s TRP 435 Cb 0.06 0.40 0.13 0.00 -0.00 0.00 0.00 33.47 34.06 3a2k s TRP 435 CO 0.39 -0.33 0.37 0.08 -0.00 0.00 0.00 176.95 177.46 3a2k s VAL 436 N 1.44 4.07 -0.10 5.86 1.01 0.53 -2.41 120.40 130.80 3a2k s VAL 436 Ca -0.09 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 59.72 3a2k s VAL 436 Cb -0.04 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3a2k s VAL 436 CO -0.16 -0.80 0.37 -2.65 0.00 0.00 0.00 175.10 171.86 3a2k n PRO 437 N 4.57 0.00 -1.86 2.72 -0.02 -1.26 -1.08 135.00 138.08 3a2k n PRO 437 Ca -0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 3a2k n PRO 437 Cb 0.41 -0.36 -0.05 0.00 -0.02 0.00 0.00 33.50 33.48 3a2k n PRO 437 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a2k n GLY 438 N 0.86 0.79 1.90 -1.23 0.00 -1.18 -4.64 105.19 101.68 3a2k n GLY 438 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3a2k n GLY 438 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a2k n LEU 439 N -2.44 -0.01 -3.61 0.99 4.77 -0.24 -4.97 117.00 111.49 3a2k n LEU 439 Ca -0.18 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.75 3a2k n LEU 439 Cb 0.60 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3a2k n LEU 439 CO 0.25 -0.49 0.72 -0.75 -1.33 0.00 0.00 177.39 175.79 3a2k s LYS 440 N -2.00 0.58 -0.06 3.23 2.47 -0.52 -5.02 119.74 118.42 3a2k s LYS 440 Ca 0.00 0.43 -0.01 0.00 -1.56 0.00 0.00 55.97 54.83 3a2k s LYS 440 Cb 0.00 0.28 -0.03 0.00 -1.46 0.00 0.00 37.83 36.62 3a2k s LYS 440 CO 0.00 -0.12 -0.00 0.15 0.16 0.00 0.00 175.35 175.53 3a2k s LYS 441 N -0.34 2.90 0.00 4.03 1.02 -1.26 -0.35 119.74 125.74 3a2k s LYS 441 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.51 3a2k s LYS 441 Cb -0.03 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3a2k s LYS 441 CO -0.02 0.68 0.00 -1.13 -0.92 0.00 0.00 175.35 173.96 3a2k n SER 442 N 1.93 0.00 -0.17 2.83 3.41 -0.39 -2.40 113.62 118.84 3a2k n SER 442 Ca -0.17 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.46 3a2k n SER 442 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3a2k n SER 442 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a2k n ALA 443 N -3.00 2.52 -1.05 7.33 0.00 -0.40 0.06 120.51 125.98 3a2k n ALA 443 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 3a2k n ALA 443 Cb 0.00 -0.18 0.31 0.00 0.00 0.00 0.00 19.45 19.58 3a2k n ALA 443 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3a2k n PHE 444 N -0.00 2.10 -2.14 0.00 0.99 -1.26 -4.90 117.46 112.25 3a2k n PHE 444 Ca 0.03 -1.11 -0.42 0.00 -0.00 0.00 0.00 57.45 55.95 3a2k n PHE 444 Cb 0.12 -0.60 -0.03 0.00 -1.00 0.00 0.00 39.48 37.98 3a2k n PHE 444 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3a2k s GLU 445 N -2.96 4.25 -0.17 -1.08 2.12 -1.26 -4.83 118.70 114.77 3a2k s GLU 445 Ca 0.53 2.07 -0.28 0.00 0.36 0.00 0.00 54.97 57.64 3a2k s GLU 445 Cb 0.42 -3.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.15 3a2k s GLU 445 CO 0.12 -0.64 2.14 0.00 -0.54 0.00 0.00 175.26 176.35 3a2k s ALA 446 N 2.58 2.92 1.09 6.30 0.00 0.22 -4.95 121.76 129.92 3a2k s ALA 446 Ca 0.67 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 3a2k s ALA 446 Cb -0.34 -4.02 0.24 0.00 0.00 0.00 0.00 23.12 19.00 3a2k s ALA 446 CO 0.28 -2.51 1.16 1.14 0.00 0.00 0.00 175.76 175.82 3a2k s GLN 447 N 5.89 -0.34 0.00 0.00 -2.07 -1.26 -4.77 119.66 117.11 3a2k s GLN 447 Ca 0.97 -0.05 0.02 0.00 -1.82 0.00 0.00 55.36 54.48 3a2k s GLN 447 Cb -0.34 -1.70 0.12 0.00 -1.09 0.00 0.00 33.01 30.00 3a2k s GLN 447 CO 0.36 -3.13 0.59 -1.71 -1.32 0.00 0.00 175.29 170.08 3a2k n ASN 448 N -4.35 0.00 -0.03 12.60 5.15 -1.26 -4.63 115.26 122.74 3a2k n ASN 448 Ca 0.12 -0.88 -0.00 0.00 -0.60 0.00 0.00 54.58 53.21 3a2k n ASN 448 Cb 0.59 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.84 3a2k n ASN 448 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3a2k n ARG 449 N -0.57 -0.02 -3.58 1.20 0.63 -1.26 -4.36 116.66 108.70 3a2k n ARG 449 Ca 0.02 0.10 -0.15 0.00 -0.92 0.00 0.00 57.85 56.89 3a2k n ARG 449 Cb 0.01 -0.14 -0.06 0.00 0.45 0.00 0.00 32.46 32.71 3a2k n ARG 449 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3a2k s GLY 450 N -3.18 -0.49 0.00 5.14 0.00 -1.26 -5.03 107.32 102.49 3a2k s GLY 450 Ca -0.01 1.81 -0.01 0.00 0.00 0.00 0.00 44.72 46.51 3a2k s GLY 450 CO 0.04 1.38 0.97 -1.06 0.00 0.00 0.00 173.10 174.42 3a2k n GLN 451 N 1.75 0.45 0.00 2.90 6.02 -1.26 -4.65 117.38 122.59 3a2k n GLN 451 Ca -0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3a2k n GLN 451 Cb 0.56 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.39 3a2k n GLN 451 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a2k n ALA 452 N 2.13 0.00 -2.45 -1.58 0.00 -1.26 -4.85 120.51 112.50 3a2k n ALA 452 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.22 3a2k n ALA 452 Cb 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.53 3a2k n ALA 452 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3a2k s ARG 453 N 0.00 1.43 0.06 0.00 3.52 -1.26 -4.79 118.95 117.91 3a2k s ARG 453 Ca 0.00 -1.09 0.04 0.00 -0.13 0.00 0.00 55.73 54.55 3a2k s ARG 453 Cb 0.00 -1.65 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 3a2k s ARG 453 CO 0.00 0.41 -0.11 0.71 -0.81 0.00 0.00 175.30 175.51 3a2k s TYR 454 N -0.91 0.94 -0.02 5.12 2.02 -1.02 -4.29 117.35 119.19 3a2k s TYR 454 Ca 0.09 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3a2k s TYR 454 Cb -0.10 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 3a2k s TYR 454 CO 0.03 -0.02 -0.11 0.42 -1.57 0.00 0.00 175.55 174.30 3a2k s ILE 455 N -1.55 3.32 -0.09 2.71 1.01 -0.63 -1.58 121.20 124.39 3a2k s ILE 455 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3a2k s ILE 455 Cb -0.09 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3a2k s ILE 455 CO 0.01 0.49 -0.16 -0.22 0.00 0.00 0.00 174.94 175.05 3a2k s LEU 456 N -1.08 1.79 -0.20 2.97 1.98 -0.16 -2.24 118.68 121.74 3a2k s LEU 456 Ca 0.14 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 50.98 3a2k s LEU 456 Cb -0.11 -1.05 0.02 0.00 0.66 0.00 0.00 46.19 45.71 3a2k s LEU 456 CO 0.04 0.06 -0.16 -0.76 -1.89 0.00 0.00 176.35 173.64 3a2k s LEU 457 N 0.65 2.43 -0.22 -0.68 2.01 -0.45 -1.73 118.68 120.70 3a2k s LEU 457 Ca -0.14 -0.68 -0.05 0.00 0.01 0.00 0.00 54.13 53.28 3a2k s LEU 457 Cb -0.16 -1.54 -0.02 0.00 0.01 0.00 0.00 46.19 44.48 3a2k s LEU 457 CO 0.04 -0.03 -0.01 -1.10 1.01 0.00 0.00 176.35 176.27 3a2k s GLN 458 N 1.31 3.50 -0.17 1.70 -1.52 0.00 -0.92 119.66 123.56 3a2k s GLN 458 Ca 0.04 -0.56 -0.14 0.00 -1.95 0.00 0.00 55.36 52.75 3a2k s GLN 458 Cb -0.14 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.51 3a2k s GLN 458 CO -0.10 -0.13 0.29 -0.47 -0.25 0.00 0.00 175.29 174.62 3a2k s TYR 459 N 1.36 3.44 0.21 0.91 6.04 0.26 -0.98 117.35 128.59 3a2k s TYR 459 Ca 0.04 0.56 -0.15 0.00 0.04 0.00 0.00 57.07 57.56 3a2k s TYR 459 Cb -0.15 -2.34 0.01 0.00 -1.04 0.00 0.00 41.96 38.44 3a2k s TYR 459 CO -0.00 0.21 0.49 -1.14 -1.54 0.00 0.00 175.55 173.57 3a2k s GLN 460 N 0.56 1.42 0.00 4.97 0.74 0.32 -4.82 119.66 122.86 3a2k s GLN 460 Ca 0.16 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.55 3a2k s GLN 460 Cb -0.13 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.48 3a2k s GLN 460 CO 0.04 -0.60 0.00 0.00 -0.55 0.00 0.00 175.29 174.18 3a2k n ALA 461 N -0.34 0.00 -0.05 1.58 0.00 -1.26 0.34 120.51 120.78 3a2k n ALA 461 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3a2k n ALA 461 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3a2k n ALA 461 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17