#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3s n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.18 113.62 113.60 1n3s n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3s n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3s n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3s n LEU 3 N 0.00 0.00 -4.10 2.46 4.77 -1.26 -4.93 117.00 113.95 1n3s n LEU 3 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1n3s n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3s n LEU 3 CO 0.00 0.00 -0.34 -0.94 -1.33 0.00 0.00 177.39 174.78 1n3s s SER 4 N 1.00 0.44 0.01 -1.43 1.04 -1.26 -5.08 113.70 108.42 1n3s s SER 4 Ca 0.00 -1.04 -0.25 0.00 0.48 0.00 0.00 55.95 55.14 1n3s s SER 4 Cb 0.00 0.23 -0.18 0.00 0.10 0.00 0.00 66.02 66.17 1n3s s SER 4 CO 0.00 -0.63 1.36 0.11 0.98 0.00 0.00 173.24 175.06 1n3s h LYS 5 N 3.08 -0.16 0.00 4.02 1.57 -2.00 -2.32 116.57 120.76 1n3s h LYS 5 Ca -0.34 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1n3s h LYS 5 Cb 1.15 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1n3s h LYS 5 CO 0.64 0.16 -0.27 0.93 -0.57 0.00 0.00 179.45 180.34 1n3s h GLU 6 N -0.49 0.00 -0.13 3.15 3.07 -1.97 -2.30 114.58 115.90 1n3s h GLU 6 Ca -0.02 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.63 1n3s h GLU 6 Cb 0.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1n3s h GLU 6 CO 0.03 0.27 -0.77 0.00 -1.40 0.00 0.00 179.01 177.13 1n3s h ALA 7 N 1.73 0.38 -0.28 3.43 0.00 -1.91 -2.98 119.26 119.63 1n3s h ALA 7 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1n3s h ALA 7 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1n3s h ALA 7 CO 0.03 0.71 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 1n3s h ALA 8 N 0.66 0.39 -0.61 0.00 0.00 -1.09 -1.40 119.26 117.20 1n3s h ALA 8 Ca -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1n3s h ALA 8 Cb 1.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1n3s h ALA 8 CO 0.15 0.18 0.28 -0.07 0.00 0.00 0.00 179.25 179.79 1n3s h LEU 9 N 0.30 0.79 -0.04 0.00 3.38 -1.47 -0.33 115.31 117.94 1n3s h LEU 9 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1n3s h LEU 9 Cb 0.52 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1n3s h LEU 9 CO 0.02 0.69 -0.09 0.58 0.09 0.00 0.00 178.44 179.73 1n3s h VAL 10 N 0.87 1.44 -0.20 1.22 2.07 -1.51 -2.47 116.25 117.68 1n3s h VAL 10 Ca 0.21 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1n3s h VAL 10 Cb 0.12 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1n3s h VAL 10 CO -0.02 0.40 -0.01 -0.74 0.02 0.00 0.00 177.57 177.21 1n3s h HIS 11 N -0.40 -0.03 0.00 1.57 -0.00 -0.94 -0.97 115.15 114.37 1n3s h HIS 11 Ca -0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1n3s h HIS 11 Cb 0.69 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1n3s h HIS 11 CO 0.12 -0.04 -0.40 0.93 -0.00 0.00 0.00 177.93 178.55 1n3s h GLU 12 N 0.05 0.00 -0.20 5.26 5.08 -1.15 -1.25 114.58 122.36 1n3s h GLU 12 Ca 0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1n3s h GLU 12 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1n3s h GLU 12 CO -0.17 0.40 -0.47 0.00 -1.00 0.00 0.00 179.01 177.77 1n3s h ALA 13 N 1.60 0.80 0.01 3.43 0.00 -0.92 -1.90 119.26 122.28 1n3s h ALA 13 Ca -0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1n3s h ALA 13 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1n3s h ALA 13 CO 0.05 0.66 -0.95 -0.07 0.00 0.00 0.00 179.25 178.95 1n3s h LEU 14 N 0.42 0.49 -0.69 0.00 3.38 -0.82 -3.04 115.31 115.05 1n3s h LEU 14 Ca 0.02 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 1n3s h LEU 14 Cb 0.99 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1n3s h LEU 14 CO 0.09 1.20 -0.42 0.58 0.09 0.00 0.00 178.44 179.98 1n3s h VAL 15 N 0.20 1.30 0.00 1.22 2.07 -1.19 0.42 116.25 120.27 1n3s h VAL 15 Ca -0.08 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1n3s h VAL 15 Cb 1.59 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1n3s h VAL 15 CO 0.16 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.25 1n3s h ALA 16 N 1.12 1.00 -0.04 1.67 0.00 -1.30 -2.02 119.26 119.68 1n3s h ALA 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n3s h ALA 16 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1n3s h ALA 16 CO 0.08 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.87 1n3s n ARG 17 N -3.05 0.88 -2.03 0.00 3.00 -1.02 -5.00 116.66 109.45 1n3s n ARG 17 Ca -0.01 -1.30 -0.12 0.00 -0.01 0.00 0.00 57.85 56.41 1n3s n ARG 17 Cb 0.21 -1.24 -0.02 0.00 0.00 0.00 0.00 32.46 31.42 1n3s n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3s n GLY 18 N 0.69 0.19 1.18 -0.13 0.00 -0.74 -4.94 105.19 101.44 1n3s n GLY 18 Ca 0.08 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.77 1n3s n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3s n LEU 19 N -1.61 3.45 -4.76 0.99 4.77 0.06 -4.96 117.00 114.93 1n3s n LEU 19 Ca -0.14 -1.73 -0.39 0.00 -0.03 0.00 0.00 56.01 53.72 1n3s n LEU 19 Cb 0.56 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1n3s n LEU 19 CO 0.17 0.72 0.65 -1.61 -1.33 0.00 0.00 177.39 175.99 1n3s s GLU 20 N -1.49 4.75 0.19 3.23 0.41 -1.25 -4.89 118.70 119.65 1n3s s GLU 20 Ca 0.39 1.43 -0.31 0.00 -0.41 0.00 0.00 54.97 56.08 1n3s s GLU 20 Cb 0.23 -3.09 -0.10 0.00 -1.78 0.00 0.00 34.13 29.39 1n3s s GLU 20 CO 0.23 0.42 1.50 0.99 -0.49 0.00 0.00 175.26 177.91 1n3s s THR 21 N -1.35 2.69 -0.90 3.63 2.01 -1.26 -4.83 115.64 115.63 1n3s s THR 21 Ca 0.45 0.53 -0.13 0.00 0.31 0.00 0.00 61.69 62.84 1n3s s THR 21 Cb -0.23 -3.34 -0.27 0.00 0.01 0.00 0.00 72.50 68.67 1n3s s THR 21 CO 0.29 0.06 2.17 -2.65 -0.69 0.00 0.00 174.62 173.79 1n3s n PRO 22 N 3.31 0.14 -4.50 4.92 -0.02 -1.26 -4.90 135.00 132.68 1n3s n PRO 22 Ca 0.11 -0.25 -0.27 0.00 -2.02 0.00 0.00 63.50 61.08 1n3s n PRO 22 Cb 0.39 -1.73 -0.17 0.00 -0.02 0.00 0.00 33.50 31.97 1n3s n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3s s LEU 23 N 4.07 1.64 0.39 2.45 1.02 -1.26 -5.15 118.68 121.84 1n3s s LEU 23 Ca 1.15 -0.36 -0.13 0.00 0.02 0.00 0.00 54.13 54.82 1n3s s LEU 23 Cb -0.62 -0.95 -0.07 0.00 0.02 0.00 0.00 46.19 44.57 1n3s s LEU 23 CO 0.41 0.02 0.78 -0.13 0.02 0.00 0.00 176.35 177.45 1n3s s ARG 24 N 0.87 3.87 0.21 1.70 0.52 -1.26 -5.02 118.95 119.84 1n3s s ARG 24 Ca -0.10 0.58 -0.32 0.00 -0.52 0.00 0.00 55.73 55.38 1n3s s ARG 24 Cb -0.15 -2.37 -0.14 0.00 0.52 0.00 0.00 34.95 32.80 1n3s s ARG 24 CO 0.01 -0.00 1.29 -2.30 0.02 0.00 0.00 175.30 174.32 1n3s n PRO 25 N -1.04 1.64 -0.32 3.54 -0.02 -1.26 -4.90 135.00 132.63 1n3s n PRO 25 Ca 0.03 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.28 1n3s n PRO 25 Cb 0.54 -2.16 0.38 0.00 -0.02 0.00 0.00 33.50 32.24 1n3s n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3s h PRO 26 N 3.77 0.33 0.00 0.52 0.11 -2.06 -3.46 132.00 131.22 1n3s h PRO 26 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1n3s h PRO 26 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n3s h PRO 26 CO 0.73 0.22 0.00 0.28 -0.21 0.00 0.00 178.00 179.02 1n3s n VAL 27 N -5.07 0.00 -4.03 3.15 0.31 -1.26 -4.68 118.33 106.75 1n3s n VAL 27 Ca 0.27 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 1n3s n VAL 27 Cb 0.81 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.62 1n3s n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3s s HIS 28 N 0.00 0.46 -0.82 3.52 -3.43 -1.26 -5.11 115.29 108.65 1n3s s HIS 28 Ca 0.00 -0.44 -0.15 0.00 -0.80 0.00 0.00 55.06 53.66 1n3s s HIS 28 Cb 0.00 -0.29 0.19 0.00 -1.43 0.00 0.00 32.58 31.05 1n3s s HIS 28 CO 0.00 -0.11 0.83 -1.21 -2.00 0.00 0.00 174.74 172.25 1n3s s GLU 29 N -1.30 3.54 0.48 -0.38 2.02 -1.26 -5.04 118.70 116.75 1n3s s GLU 29 Ca -0.10 -2.20 -0.20 0.00 0.02 0.00 0.00 54.97 52.48 1n3s s GLU 29 Cb -0.09 -4.52 -0.09 0.00 0.10 0.00 0.00 34.13 29.53 1n3s s GLU 29 CO -0.00 -1.41 1.02 1.41 0.02 0.00 0.00 175.26 176.30 1n3s s MET 30 N 0.94 3.86 0.19 1.61 -2.45 -1.26 -4.97 119.30 117.23 1n3s s MET 30 Ca 0.20 1.31 -0.33 0.00 -1.25 0.00 0.00 55.69 55.62 1n3s s MET 30 Cb -0.11 -2.11 -0.13 0.00 1.25 0.00 0.00 34.83 33.73 1n3s s MET 30 CO -0.08 -0.37 1.54 -3.47 1.05 0.00 0.00 175.02 173.70 1n3s n ASP 31 N -0.95 3.11 -0.07 1.11 2.03 -1.26 -4.90 116.55 115.61 1n3s n ASP 31 Ca 0.09 1.10 0.08 0.00 0.52 0.00 0.00 54.79 56.58 1n3s n ASP 31 Cb 0.53 -1.45 0.44 0.00 -0.72 0.00 0.00 41.12 39.92 1n3s n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3s h ASN 32 N 5.44 0.48 1.30 1.67 -1.24 -2.00 -1.60 115.58 119.62 1n3s h ASN 32 Ca -0.45 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.50 1n3s h ASN 32 Cb 1.25 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 1n3s h ASN 32 CO 0.85 0.32 -0.28 -0.33 -1.29 0.00 0.00 177.43 176.69 1n3s h GLU 33 N 0.55 0.00 0.10 6.67 5.08 -2.01 -2.99 114.58 121.98 1n3s h GLU 33 Ca 0.24 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.31 1n3s h GLU 33 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1n3s h GLU 33 CO -0.07 0.28 -1.40 1.15 -1.00 0.00 0.00 179.01 177.98 1n3s h THR 34 N 0.00 1.30 -0.66 1.13 2.02 -1.69 -3.18 112.91 111.82 1n3s h THR 34 Ca -0.00 -2.94 -0.00 0.00 0.77 0.00 0.00 66.41 64.23 1n3s h THR 34 Cb 1.01 2.81 -0.03 0.00 -1.74 0.00 0.00 68.15 70.20 1n3s h THR 34 CO 0.04 0.84 0.40 0.03 0.37 0.00 0.00 175.52 177.20 1n3s h ARG 35 N 0.06 0.90 -0.54 6.66 3.08 -1.24 -2.13 114.38 121.16 1n3s h ARG 35 Ca -0.19 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 1n3s h ARG 35 Cb 1.98 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.82 1n3s h ARG 35 CO 0.17 0.64 0.10 0.87 -1.07 0.00 0.00 179.97 180.68 1n3s h LYS 36 N 0.90 0.89 0.00 0.04 1.57 -1.62 -1.89 116.57 116.46 1n3s h LYS 36 Ca 0.24 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1n3s h LYS 36 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1n3s h LYS 36 CO -0.04 0.86 -0.41 0.66 -0.57 0.00 0.00 179.45 179.95 1n3s h SER 37 N 0.78 0.00 0.17 0.86 4.64 -1.49 -0.29 113.55 118.22 1n3s h SER 37 Ca 0.17 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.17 1n3s h SER 37 Cb 0.40 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1n3s h SER 37 CO 0.01 0.41 -1.33 -0.07 -0.87 0.00 0.00 176.83 174.98 1n3s h LEU 38 N 0.00 0.88 -0.45 5.97 3.38 -1.24 -1.85 115.31 122.00 1n3s h LEU 38 Ca -0.00 -0.86 -0.16 0.00 0.09 0.00 0.00 57.88 56.95 1n3s h LEU 38 Cb 0.89 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1n3s h LEU 38 CO 0.05 1.65 -0.50 0.40 0.09 0.00 0.00 178.44 180.13 1n3s h ILE 39 N 0.23 1.30 -0.44 1.22 2.04 -1.27 -1.54 117.51 119.05 1n3s h ILE 39 Ca -0.21 -1.71 -0.08 0.00 1.00 0.00 0.00 64.86 63.86 1n3s h ILE 39 Cb 2.00 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.70 1n3s h ILE 39 CO 0.25 0.55 -0.04 0.00 0.00 0.00 0.00 178.15 178.90 1n3s h ALA 40 N 0.87 1.10 -0.09 1.87 0.00 -1.10 0.16 119.26 122.07 1n3s h ALA 40 Ca 0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1n3s h ALA 40 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1n3s h ALA 40 CO 0.10 0.57 -0.44 0.78 0.00 0.00 0.00 179.25 180.26 1n3s h GLY 41 N 0.96 0.22 2.00 0.00 0.00 -1.10 -1.33 103.07 103.83 1n3s h GLY 41 Ca 0.13 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 1n3s h GLY 41 CO 0.03 0.20 -0.84 0.45 0.00 0.00 0.00 176.54 176.38 1n3s h HIS 42 N 0.17 0.00 0.00 5.60 -0.00 -0.64 -3.00 115.15 117.28 1n3s h HIS 42 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.23 1n3s h HIS 42 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.24 1n3s h HIS 42 CO 0.01 0.84 -0.74 0.52 -0.00 0.00 0.00 177.93 178.56 1n3s h MET 43 N 0.00 0.00 -0.36 2.45 2.86 -0.72 -2.68 114.93 116.48 1n3s h MET 43 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1n3s h MET 43 Cb 1.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 1n3s h MET 43 CO 0.11 0.74 -0.19 1.15 1.06 0.00 0.00 176.91 179.78 1n3s h THR 44 N 0.00 1.26 -0.32 2.22 2.02 -1.25 -1.48 112.91 115.37 1n3s h THR 44 Ca -0.01 -1.25 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1n3s h THR 44 Cb 1.52 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1n3s h THR 44 CO 0.10 0.41 -0.12 -0.33 0.37 0.00 0.00 175.52 175.95 1n3s h GLU 45 N 0.61 0.64 -0.33 6.66 4.39 -1.47 -2.50 114.58 122.58 1n3s h GLU 45 Ca 0.09 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1n3s h GLU 45 Cb 0.66 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1n3s h GLU 45 CO 0.05 0.85 0.14 0.82 -1.16 0.00 0.00 179.01 179.70 1n3s h ILE 46 N 0.41 1.18 -0.07 3.13 2.04 -1.22 -2.50 117.51 120.46 1n3s h ILE 46 Ca 0.07 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1n3s h ILE 46 Cb 0.64 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1n3s h ILE 46 CO 0.04 0.19 -0.26 0.24 0.00 0.00 0.00 178.15 178.36 1n3s h MET 47 N 0.39 0.12 0.00 2.37 2.86 -1.26 -2.33 114.93 117.07 1n3s h MET 47 Ca 0.11 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1n3s h MET 47 Cb 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1n3s h MET 47 CO -0.01 0.38 -0.46 1.96 1.06 0.00 0.00 176.91 179.84 1n3s h GLN 48 N 0.11 0.00 0.00 1.72 4.20 -1.27 -2.33 115.11 117.54 1n3s h GLN 48 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1n3s h GLN 48 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1n3s h GLN 48 CO 0.04 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 179.94 1n3s n LEU 49 N -3.45 0.25 -1.03 1.46 4.77 -0.90 -2.98 117.00 115.12 1n3s n LEU 49 Ca 0.00 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 1n3s n LEU 49 Cb 0.60 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.50 1n3s n LEU 49 CO 0.39 -0.09 0.72 0.18 -1.33 0.00 0.00 177.39 177.26 1n3s n LEU 50 N -1.74 3.93 -2.37 2.23 4.77 -1.00 -4.98 117.00 117.84 1n3s n LEU 50 Ca 0.06 -2.62 -0.21 0.00 -0.03 0.00 0.00 56.01 53.22 1n3s n LEU 50 Cb 0.35 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1n3s n LEU 50 CO 0.27 0.71 -0.27 0.59 -1.33 0.00 0.00 177.39 177.36 1n3s n ASN 51 N 0.18 -5.91 -4.74 -1.43 3.02 -1.16 -5.00 115.26 100.21 1n3s n ASN 51 Ca 0.20 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 1n3s n ASN 51 Cb 0.79 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.98 1n3s n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3s s LEU 52 N -5.98 4.34 -0.66 3.41 1.43 -0.91 -5.03 118.68 115.29 1n3s s LEU 52 Ca 0.00 0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 53.79 1n3s s LEU 52 Cb 0.00 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.45 1n3s s LEU 52 CO 0.00 0.05 1.48 -0.62 0.23 0.00 0.00 176.35 177.49 1n3s s ASP 53 N 0.24 5.90 0.00 2.29 2.15 -1.26 -4.59 116.67 121.40 1n3s s ASP 53 Ca 0.28 -0.03 0.29 0.00 0.43 0.00 0.00 52.55 53.52 1n3s s ASP 53 Cb -0.16 -2.55 1.58 0.00 -0.30 0.00 0.00 42.92 41.48 1n3s s ASP 53 CO 0.13 -1.96 2.02 0.18 -0.17 0.00 0.00 175.17 175.38 1n3s n LEU 54 N 10.39 0.00 0.15 -1.34 4.77 -1.26 -2.97 117.00 126.74 1n3s n LEU 54 Ca 0.10 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 1n3s n LEU 54 Cb 0.50 -0.15 0.34 0.00 -2.33 0.00 0.00 43.42 41.78 1n3s n LEU 54 CO 0.71 -0.01 0.86 0.00 -1.33 0.00 0.00 177.39 177.62 1n3s h ALA 55 N 3.57 1.00 -2.55 -1.18 0.00 -1.94 -3.37 119.26 114.79 1n3s h ALA 55 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1n3s h ALA 55 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n3s h ALA 55 CO 0.00 0.00 0.62 0.34 0.00 0.00 0.00 179.25 180.21 1n3s s ASP 56 N -5.11 6.99 0.00 0.00 2.15 -1.16 -4.93 116.67 114.61 1n3s s ASP 56 Ca 0.09 2.18 0.04 0.00 0.43 0.00 0.00 52.55 55.29 1n3s s ASP 56 Cb 0.10 -2.59 0.26 0.00 -0.30 0.00 0.00 42.92 40.39 1n3s s ASP 56 CO 0.61 -0.52 0.63 -0.90 -0.17 0.00 0.00 175.17 174.82 1n3s n ASP 57 N 3.61 0.00 -0.06 -0.34 5.75 -1.26 -2.37 116.55 121.88 1n3s n ASP 57 Ca 0.09 -0.41 -0.10 0.00 -0.01 0.00 0.00 54.79 54.36 1n3s n ASP 57 Cb 0.45 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 1n3s n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n3s n SER 58 N -0.75 2.34 -0.01 -1.12 2.88 -1.26 -4.59 113.62 111.11 1n3s n SER 58 Ca 0.03 0.01 0.15 0.00 -1.33 0.00 0.00 58.87 57.73 1n3s n SER 58 Cb 0.02 -0.24 0.72 0.00 -0.75 0.00 0.00 64.21 63.95 1n3s n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3s n LEU 59 N -3.08 0.04 -0.04 2.46 4.77 -1.14 -3.71 117.00 116.30 1n3s n LEU 59 Ca -0.22 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 1n3s n LEU 59 Cb 0.70 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1n3s n LEU 59 CO 0.08 0.01 0.44 -0.03 -1.33 0.00 0.00 177.39 176.56 1n3s h MET 60 N 0.04 0.48 -0.01 3.23 4.05 -1.64 -3.25 114.93 117.83 1n3s h MET 60 Ca 0.00 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1n3s h MET 60 Cb 0.33 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1n3s h MET 60 CO 0.00 0.97 -0.09 0.39 0.23 0.00 0.00 176.91 178.42 1n3s n GLU 61 N -4.32 1.08 -0.12 0.39 -0.58 -1.24 -4.33 120.64 111.52 1n3s n GLU 61 Ca -0.07 -0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 56.08 1n3s n GLU 61 Cb 0.53 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.89 1n3s n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3s h THR 62 N 1.19 1.22 -0.15 2.62 2.02 -1.68 -2.59 112.91 115.54 1n3s h THR 62 Ca 0.00 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1n3s h THR 62 Cb 0.38 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1n3s h THR 62 CO 0.00 0.26 -0.01 -0.65 0.37 0.00 0.00 175.52 175.49 1n3s h PRO 63 N 0.43 0.21 -0.48 6.66 0.11 -1.78 -1.29 132.00 135.85 1n3s h PRO 63 Ca 0.11 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 1n3s h PRO 63 Cb 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1n3s h PRO 63 CO 0.00 0.24 -0.17 1.25 -0.21 0.00 0.00 178.00 179.11 1n3s h HIS 64 N 0.21 1.10 -0.00 0.65 -0.00 -1.82 -2.62 115.15 112.67 1n3s h HIS 64 Ca 0.05 -0.25 -0.14 0.00 -0.00 0.00 0.00 60.37 60.03 1n3s h HIS 64 Cb 0.16 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 1n3s h HIS 64 CO 0.00 1.06 -0.65 0.00 -0.00 0.00 0.00 177.93 178.35 1n3s h ARG 65 N 0.82 0.01 -0.10 5.26 3.08 -0.97 -1.28 114.38 121.20 1n3s h ARG 65 Ca 0.12 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.95 1n3s h ARG 65 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.80 1n3s h ARG 65 CO 0.06 0.65 -0.80 0.82 -1.07 0.00 0.00 179.97 179.63 1n3s h ILE 66 N 0.01 1.32 -0.39 2.04 2.04 -1.24 -2.39 117.51 118.89 1n3s h ILE 66 Ca -0.01 -2.10 -0.14 0.00 1.00 0.00 0.00 64.86 63.62 1n3s h ILE 66 Cb 1.15 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 1n3s h ILE 66 CO 0.09 0.65 -0.31 0.00 0.00 0.00 0.00 178.15 178.58 1n3s h ALA 67 N 0.69 0.57 0.00 1.87 0.00 -1.36 -1.93 119.26 119.11 1n3s h ALA 67 Ca -0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1n3s h ALA 67 Cb 1.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1n3s h ALA 67 CO 0.15 0.61 -0.24 -0.22 0.00 0.00 0.00 179.25 179.56 1n3s h LYS 68 N 0.71 0.00 0.01 0.00 3.11 -1.23 -2.29 116.57 116.88 1n3s h LYS 68 Ca 0.07 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1n3s h LYS 68 Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1n3s h LYS 68 CO 0.08 0.24 -0.00 1.98 -2.81 0.00 0.00 179.45 178.94 1n3s h MET 69 N 0.00 -0.01 -0.55 1.90 4.05 -1.23 -2.74 114.93 116.36 1n3s h MET 69 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1n3s h MET 69 Cb 0.58 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 1n3s h MET 69 CO 0.03 0.76 0.34 1.88 0.23 0.00 0.00 176.91 180.14 1n3s h TYR 70 N -0.79 0.71 0.02 1.39 0.05 -1.19 -0.79 116.97 116.38 1n3s h TYR 70 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 1n3s h TYR 70 Cb 0.77 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1n3s h TYR 70 CO 0.20 0.49 -0.84 0.28 -1.05 0.00 0.00 178.16 177.24 1n3s h VAL 71 N 0.74 1.26 0.00 -2.88 2.07 -1.57 -3.36 116.25 112.50 1n3s h VAL 71 Ca 0.20 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1n3s h VAL 71 Cb -0.03 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1n3s h VAL 71 CO -0.04 0.49 -1.70 0.47 0.02 0.00 0.00 177.57 176.81 1n3s n ASP 72 N -4.40 0.41 0.00 0.57 8.00 -1.04 -4.72 116.55 115.37 1n3s n ASP 72 Ca -0.23 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1n3s n ASP 72 Cb 0.65 1.72 0.00 0.00 -0.02 0.00 0.00 41.12 43.47 1n3s n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3s n GLU 73 N -2.04 0.00 0.26 -1.24 1.02 -0.92 -4.75 120.64 112.97 1n3s n GLU 73 Ca -0.02 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.29 1n3s n GLU 73 Cb 0.49 -0.05 0.67 0.00 -0.02 0.00 0.00 31.44 32.52 1n3s n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3s h ILE 74 N 0.00 0.00 -0.17 -3.67 3.07 -1.45 -3.19 117.51 112.11 1n3s h ILE 74 Ca 0.00 -0.46 -0.07 0.00 1.55 0.00 0.00 64.86 65.88 1n3s h ILE 74 Cb 0.00 1.42 -0.04 0.00 -0.27 0.00 0.00 36.82 37.92 1n3s h ILE 74 CO 0.00 0.00 -0.22 0.49 -1.05 0.00 0.00 178.15 177.37 1n3s n PHE 75 N -2.95 0.52 0.29 0.16 3.72 -1.26 -3.24 117.46 114.69 1n3s n PHE 75 Ca 0.01 -1.43 0.16 0.00 -0.05 0.00 0.00 57.45 56.14 1n3s n PHE 75 Cb 0.29 -0.34 0.85 0.00 -0.94 0.00 0.00 39.48 39.33 1n3s n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3s h SER 76 N 0.94 0.00 0.66 4.37 4.64 -1.54 -2.85 113.55 119.78 1n3s h SER 76 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1n3s h SER 76 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1n3s h SER 76 CO 0.18 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 1n3s n GLY 77 N -0.71 -1.16 0.08 -0.77 0.00 -0.05 -2.81 105.19 99.76 1n3s n GLY 77 Ca -0.02 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1n3s n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3s n LEU 78 N -1.57 0.52 -4.31 0.99 4.77 -1.08 -4.62 117.00 111.69 1n3s n LEU 78 Ca 0.04 0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 56.23 1n3s n LEU 78 Cb 0.22 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 1n3s n LEU 78 CO 0.18 -0.24 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.06 1n3s s ASP 79 N -3.97 4.87 0.00 -1.43 -1.08 -1.12 -5.00 116.67 108.93 1n3s s ASP 79 Ca 0.09 -0.70 0.17 0.00 -0.52 0.00 0.00 52.55 51.59 1n3s s ASP 79 Cb 0.13 -1.82 1.00 0.00 -1.46 0.00 0.00 42.92 40.77 1n3s s ASP 79 CO 0.50 -0.16 1.42 -1.22 0.52 0.00 0.00 175.17 176.24 1n3s n TYR 80 N 4.81 0.00 0.15 -5.34 4.02 -1.26 -2.24 117.16 117.30 1n3s n TYR 80 Ca -0.15 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.76 1n3s n TYR 80 Cb 0.48 -0.02 0.10 0.00 -0.02 0.00 0.00 39.34 39.88 1n3s n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3s h ALA 81 N 3.05 0.73 -0.04 -0.72 0.00 -1.92 -2.93 119.26 117.43 1n3s h ALA 81 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n3s h ALA 81 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n3s h ALA 81 CO 0.00 0.63 0.00 0.09 0.00 0.00 0.00 179.25 179.97 1n3s n ASN 82 N -3.31 0.71 -4.72 0.00 3.02 -0.95 -4.89 115.26 105.12 1n3s n ASN 82 Ca 0.01 -1.39 -0.42 0.00 -0.03 0.00 0.00 54.58 52.76 1n3s n ASN 82 Cb 0.69 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 1n3s n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1n3s s PHE 83 N -1.95 3.13 0.49 3.10 5.36 -1.11 -4.96 117.98 122.04 1n3s s PHE 83 Ca 0.37 0.84 -0.23 0.00 -0.96 0.00 0.00 56.93 56.95 1n3s s PHE 83 Cb 0.18 -3.81 -0.08 0.00 -0.34 0.00 0.00 43.02 38.98 1n3s s PHE 83 CO 0.30 -2.85 1.11 -0.35 -1.46 0.00 0.00 175.22 171.97 1n3s n PRO 84 N 3.63 1.43 -2.39 10.12 -0.04 -1.26 -4.89 135.00 141.59 1n3s n PRO 84 Ca 0.11 0.52 -0.39 0.00 -0.04 0.00 0.00 63.50 63.71 1n3s n PRO 84 Cb 0.40 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1n3s n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3s s LYS 85 N -2.40 3.10 0.10 0.54 1.02 -1.26 -4.92 119.74 115.93 1n3s s LYS 85 Ca 0.67 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 56.07 1n3s s LYS 85 Cb -0.48 -4.61 -0.08 0.00 -0.52 0.00 0.00 37.83 32.13 1n3s s LYS 85 CO 0.53 -2.43 1.47 0.42 -0.92 0.00 0.00 175.35 174.43 1n3s s ILE 86 N 6.75 3.16 -0.20 2.17 -1.09 -1.26 -5.02 121.20 125.71 1n3s s ILE 86 Ca 0.48 0.78 0.01 0.00 -2.23 0.00 0.00 60.65 59.69 1n3s s ILE 86 Cb -0.07 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1n3s s ILE 86 CO 0.08 0.04 -0.14 0.42 -1.23 0.00 0.00 174.94 174.12 1n3s s THR 87 N 1.53 1.83 -0.15 2.92 -4.23 -1.26 -5.07 115.64 111.20 1n3s s THR 87 Ca 0.67 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1n3s s THR 87 Cb -0.38 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1n3s s THR 87 CO 0.30 0.28 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.84 1n3s s LEU 88 N 1.33 3.04 -0.15 4.79 1.43 -1.26 -2.12 118.68 125.74 1n3s s LEU 88 Ca 0.00 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1n3s s LEU 88 Cb -0.15 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1n3s s LEU 88 CO -0.09 0.15 0.16 0.27 0.23 0.00 0.00 176.35 177.06 1n3s s ILE 89 N 0.49 5.43 0.19 -0.59 -4.36 -0.22 -4.93 121.20 117.22 1n3s s ILE 89 Ca -0.05 0.26 -0.33 0.00 -0.26 0.00 0.00 60.65 60.27 1n3s s ILE 89 Cb -0.15 -3.46 -0.13 0.00 1.25 0.00 0.00 42.46 39.98 1n3s s ILE 89 CO 0.03 0.53 1.64 1.21 0.24 0.00 0.00 174.94 178.60 1n3s n GLU 90 N 2.67 2.48 -2.17 0.37 2.13 -1.26 -1.76 120.64 123.09 1n3s n GLU 90 Ca -0.18 0.89 -0.41 0.00 0.66 0.00 0.00 57.16 58.12 1n3s n GLU 90 Cb 0.54 -2.70 -0.01 0.00 0.27 0.00 0.00 31.44 29.54 1n3s n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3s n ASN 91 N 3.58 4.26 0.12 4.31 5.15 -0.78 -4.59 115.26 127.31 1n3s n ASN 91 Ca 0.16 -2.86 -0.02 0.00 -0.60 0.00 0.00 54.58 51.27 1n3s n ASN 91 Cb 0.32 -1.68 0.10 0.00 -0.53 0.00 0.00 39.78 38.00 1n3s n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3s h LYS 92 N 7.33 0.00 0.00 1.20 1.57 -1.90 -3.21 116.57 121.57 1n3s h LYS 92 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1n3s h LYS 92 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1n3s h LYS 92 CO 1.60 0.68 0.00 -1.33 -0.57 0.00 0.00 179.45 179.83 1n3s n MET 93 N -3.60 0.04 -3.37 3.15 2.81 -1.26 -4.95 117.12 109.94 1n3s n MET 93 Ca -0.01 0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.68 1n3s n MET 93 Cb 0.70 -1.55 0.03 0.00 -0.71 0.00 0.00 33.22 31.70 1n3s n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3s n LYS 94 N -1.61 -5.33 -1.53 0.03 4.01 -1.21 -4.87 118.16 107.64 1n3s n LYS 94 Ca 0.07 0.75 -0.40 0.00 -0.51 0.00 0.00 58.31 58.22 1n3s n LYS 94 Cb 0.35 -5.63 -0.06 0.00 -0.51 0.00 0.00 35.03 29.18 1n3s n LYS 94 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1n3s n VAL 95 N -4.53 0.04 -0.98 -0.18 0.31 -1.26 -4.81 118.33 106.91 1n3s n VAL 95 Ca -0.04 -0.54 0.01 0.00 -0.01 0.00 0.00 64.34 63.76 1n3s n VAL 95 Cb 0.58 -2.23 0.36 0.00 -0.91 0.00 0.00 33.84 31.63 1n3s n VAL 95 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n3s n ASP 96 N 13.50 5.28 -4.67 4.52 5.75 -1.26 -4.38 116.55 135.29 1n3s n ASP 96 Ca 0.41 -3.08 -0.25 0.00 -0.01 0.00 0.00 54.79 51.86 1n3s n ASP 96 Cb 0.40 -0.71 -0.08 0.00 -1.03 0.00 0.00 41.12 39.69 1n3s n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3s s GLU 97 N -2.89 2.12 0.01 0.11 0.41 -1.26 -5.00 118.70 112.20 1n3s s GLU 97 Ca 0.55 -1.81 -0.02 0.00 -0.41 0.00 0.00 54.97 53.28 1n3s s GLU 97 Cb 0.43 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.82 1n3s s GLU 97 CO 0.15 0.04 0.17 0.00 -0.49 0.00 0.00 175.26 175.12 1n3s s MET 98 N -3.78 3.36 -0.13 1.61 0.23 -1.26 -3.79 119.30 115.54 1n3s s MET 98 Ca 0.37 -0.38 0.03 0.00 -1.03 0.00 0.00 55.69 54.67 1n3s s MET 98 Cb 0.02 -3.03 0.01 0.00 -1.53 0.00 0.00 34.83 30.29 1n3s s MET 98 CO 0.20 0.66 -0.22 0.08 -2.03 0.00 0.00 175.02 173.71 1n3s s VAL 99 N -1.34 2.10 -0.10 5.16 1.01 -0.61 -5.01 120.40 121.60 1n3s s VAL 99 Ca 0.28 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1n3s s VAL 99 Cb -0.13 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1n3s s VAL 99 CO 0.20 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.84 1n3s s THR 100 N 0.65 1.28 -0.41 3.92 2.01 -1.26 -1.32 115.64 120.51 1n3s s THR 100 Ca -0.11 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 1n3s s THR 100 Cb -0.16 -1.21 0.09 0.00 0.01 0.00 0.00 72.50 71.23 1n3s s THR 100 CO 0.02 0.40 0.22 -0.69 -0.69 0.00 0.00 174.62 173.88 1n3s s VAL 101 N 1.18 3.76 0.43 3.82 1.01 0.95 -4.99 120.40 126.55 1n3s s VAL 101 Ca -0.04 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.28 1n3s s VAL 101 Cb -0.14 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1n3s s VAL 101 CO -0.03 -0.56 0.63 0.00 0.00 0.00 0.00 175.10 175.15 1n3s s ARG 102 N 1.30 3.12 -1.48 2.72 1.70 -1.26 -1.30 118.95 123.75 1n3s s ARG 102 Ca 0.04 -0.52 -0.04 0.00 -0.47 0.00 0.00 55.73 54.74 1n3s s ARG 102 Cb -0.23 -2.60 0.03 0.00 -0.57 0.00 0.00 34.95 31.59 1n3s s ARG 102 CO -0.01 -0.18 0.47 -0.25 -1.08 0.00 0.00 175.30 174.25 1n3s n ASP 103 N -2.00 -0.92 -4.71 -2.89 8.00 -1.10 -4.94 116.55 107.99 1n3s n ASP 103 Ca 0.00 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 1n3s n ASP 103 Cb 0.58 -2.91 -0.03 0.00 -0.02 0.00 0.00 41.12 38.73 1n3s n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3s s ILE 104 N -3.84 4.08 -0.07 0.53 1.01 0.27 -4.80 121.20 118.39 1n3s s ILE 104 Ca 0.17 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 62.01 1n3s s ILE 104 Cb -0.09 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 1n3s s ILE 104 CO 0.90 0.11 1.74 -0.89 0.00 0.00 0.00 174.94 176.80 1n3s s THR 105 N 1.08 3.46 -0.15 2.92 2.01 -1.26 -1.15 115.64 122.54 1n3s s THR 105 Ca 0.58 0.55 0.01 0.00 0.31 0.00 0.00 61.69 63.14 1n3s s THR 105 Cb -0.29 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1n3s s THR 105 CO 0.29 -0.08 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.76 1n3s s LEU 106 N 4.47 1.85 -0.16 4.42 0.20 -0.65 -4.76 118.68 124.05 1n3s s LEU 106 Ca 0.77 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 55.07 1n3s s LEU 106 Cb -0.34 -1.28 0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1n3s s LEU 106 CO 0.32 -0.02 -0.19 0.42 -0.29 0.00 0.00 176.35 176.59 1n3s s THR 107 N 1.34 1.91 0.09 3.68 -4.23 -1.26 -1.29 115.64 115.87 1n3s s THR 107 Ca 0.03 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1n3s s THR 107 Cb -0.13 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1n3s s THR 107 CO -0.10 0.52 0.07 -0.24 -0.54 0.00 0.00 174.62 174.32 1n3s n SER 108 N 4.54 0.09 -3.76 3.99 2.88 -0.86 -3.88 113.62 116.62 1n3s n SER 108 Ca -0.20 -1.57 -0.13 0.00 -1.33 0.00 0.00 58.87 55.64 1n3s n SER 108 Cb 0.50 0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 64.22 1n3s n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3s s THR 109 N -2.26 -0.04 -0.04 2.46 2.01 -1.25 -1.99 115.64 114.53 1n3s s THR 109 Ca 0.09 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 1n3s s THR 109 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1n3s s THR 109 CO 0.07 0.07 1.19 0.00 -0.69 0.00 0.00 174.62 175.25 1n3s n GLU 111 N 4.97 0.17 0.07 0.00 0.28 0.02 -0.03 120.64 126.13 1n3s n GLU 111 Ca 0.10 0.48 -0.07 0.00 -0.16 0.00 0.00 57.16 57.52 1n3s n GLU 111 Cb 0.46 -1.88 -0.08 0.00 1.43 0.00 0.00 31.44 31.37 1n3s n GLU 111 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1n3s h HIS 112 N 0.00 0.03 0.00 -1.84 3.86 -1.91 -3.40 115.15 111.88 1n3s h HIS 112 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1n3s h HIS 112 Cb 0.25 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1n3s h HIS 112 CO 0.00 0.97 0.00 0.43 0.86 0.00 0.00 177.93 180.19 1n3s n SER 113 N -3.42 0.00 -3.09 2.45 7.64 -1.10 -5.03 113.62 111.07 1n3s n SER 113 Ca -0.01 -1.00 -0.23 0.00 1.01 0.00 0.00 58.87 58.65 1n3s n SER 113 Cb 0.90 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.13 1n3s n SER 113 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n3s n PHE 114 N -0.00 -1.95 -4.50 1.43 3.01 0.96 -5.00 117.46 111.41 1n3s n PHE 114 Ca 0.00 0.52 -0.31 0.00 1.01 0.00 0.00 57.45 58.67 1n3s n PHE 114 Cb 0.28 -4.22 -0.11 0.00 -0.01 0.00 0.00 39.48 35.43 1n3s n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3s s VAL 115 N -3.13 3.35 0.28 -4.37 1.01 -1.24 -4.84 120.40 111.45 1n3s s VAL 115 Ca 0.33 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1n3s s VAL 115 Cb -0.15 -2.46 -0.14 0.00 0.00 0.00 0.00 36.38 33.63 1n3s s VAL 115 CO 0.40 0.35 0.90 0.41 0.00 0.00 0.00 175.10 177.16 1n3s n THR 116 N 1.46 2.00 -3.97 3.92 -1.04 -1.26 -0.63 114.28 114.77 1n3s n THR 116 Ca -0.15 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.06 1n3s n THR 116 Cb 0.52 -0.81 -0.16 0.00 -1.82 0.00 0.00 70.33 68.06 1n3s n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3s s ILE 117 N -1.07 1.48 -0.24 12.58 1.01 -0.84 -1.97 121.20 132.15 1n3s s ILE 117 Ca 0.60 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1n3s s ILE 117 Cb -0.73 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1n3s s ILE 117 CO 0.59 0.20 0.14 -0.62 0.00 0.00 0.00 174.94 175.25 1n3s s ASP 118 N 1.47 5.97 0.28 3.58 2.15 -0.58 -2.03 116.67 127.52 1n3s s ASP 118 Ca 0.00 0.07 -0.04 0.00 0.43 0.00 0.00 52.55 53.01 1n3s s ASP 118 Cb -0.15 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.38 1n3s s ASP 118 CO -0.08 0.06 0.38 -0.83 -0.17 0.00 0.00 175.17 174.53 1n3s s GLY 119 N 1.09 1.27 -0.03 2.66 0.00 -0.41 -0.43 107.32 111.47 1n3s s GLY 119 Ca 0.07 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1n3s s GLY 119 CO 0.05 -1.02 -0.05 0.54 0.00 0.00 0.00 173.10 172.61 1n3s s LYS 120 N -3.62 0.69 0.02 2.90 3.01 -0.21 -1.63 119.74 120.90 1n3s s LYS 120 Ca 0.31 -0.13 0.06 0.00 -1.01 0.00 0.00 55.97 55.20 1n3s s LYS 120 Cb 0.01 -0.70 -0.03 0.00 -1.01 0.00 0.00 37.83 36.11 1n3s s LYS 120 CO 0.16 -0.01 -0.16 0.00 0.51 0.00 0.00 175.35 175.84 1n3s s ALA 121 N 0.57 2.65 -0.13 5.17 0.00 -0.30 -0.62 121.76 129.10 1n3s s ALA 121 Ca -0.07 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1n3s s ALA 121 Cb -0.11 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.22 1n3s s ALA 121 CO -0.00 0.57 -0.13 0.99 0.00 0.00 0.00 175.76 177.19 1n3s s THR 122 N -0.90 1.45 -0.07 0.00 2.01 0.51 -0.56 115.64 118.08 1n3s s THR 122 Ca 0.14 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1n3s s THR 122 Cb -0.11 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1n3s s THR 122 CO 0.05 0.44 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 1n3s s VAL 123 N 1.34 1.50 0.00 3.82 1.01 -0.42 -0.91 120.40 126.74 1n3s s VAL 123 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1n3s s VAL 123 Cb -0.13 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1n3s s VAL 123 CO -0.07 0.43 -0.06 0.00 0.00 0.00 0.00 175.10 175.41 1n3s s ALA 124 N 0.38 0.46 0.16 5.51 0.00 -0.47 -0.04 121.76 127.76 1n3s s ALA 124 Ca -0.13 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 1n3s s ALA 124 Cb -0.15 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1n3s s ALA 124 CO 0.05 0.09 0.37 1.52 0.00 0.00 0.00 175.76 177.79 1n3s s TYR 125 N -0.33 0.08 -0.25 0.00 1.13 -0.43 0.29 117.35 117.85 1n3s s TYR 125 Ca 0.00 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 1n3s s TYR 125 Cb -0.03 0.15 0.04 0.00 -1.10 0.00 0.00 41.96 41.02 1n3s s TYR 125 CO -0.00 -0.76 -0.10 0.42 -2.51 0.00 0.00 175.55 172.60 1n3s s ILE 126 N -3.89 2.50 0.19 -3.49 1.01 -0.72 -1.58 121.20 115.22 1n3s s ILE 126 Ca 0.10 -1.27 -0.33 0.00 0.00 0.00 0.00 60.65 59.16 1n3s s ILE 126 Cb 0.02 -2.32 -0.14 0.00 0.01 0.00 0.00 42.46 40.03 1n3s s ILE 126 CO -0.05 0.14 1.53 -2.65 0.00 0.00 0.00 174.94 173.92 1n3s n PRO 127 N 4.57 2.16 0.00 2.79 -0.02 -1.25 -4.83 135.00 138.43 1n3s n PRO 127 Ca -0.16 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1n3s n PRO 127 Cb 0.45 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1n3s n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3s n LYS 128 N 2.98 0.00 0.00 -0.52 4.81 -1.26 -4.61 118.16 119.56 1n3s n LYS 128 Ca 0.15 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.65 1n3s n LYS 128 Cb 0.30 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1n3s n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3s n ASP 129 N 0.00 1.45 -3.88 3.14 8.00 -1.26 -4.82 116.55 119.18 1n3s n ASP 129 Ca 0.00 -1.23 -0.11 0.00 0.71 0.00 0.00 54.79 54.17 1n3s n ASP 129 Cb 0.00 0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 1n3s n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3s s SER 130 N -1.59 0.04 -0.18 -2.24 1.04 -1.26 -1.87 113.70 107.64 1n3s s SER 130 Ca 0.11 -0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 1n3s s SER 130 Cb 0.10 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1n3s s SER 130 CO 0.32 -0.28 -0.16 -0.69 0.98 0.00 0.00 173.24 173.41 1n3s s VAL 131 N -1.07 2.45 0.48 5.02 1.01 -0.72 -4.70 120.40 122.86 1n3s s VAL 131 Ca -0.12 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1n3s s VAL 131 Cb -0.07 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 1n3s s VAL 131 CO 0.01 0.51 0.97 -0.51 0.00 0.00 0.00 175.10 176.08 1n3s s ILE 132 N 1.20 4.45 0.14 2.22 2.07 -1.26 -1.05 121.20 128.97 1n3s s ILE 132 Ca 0.02 1.31 -0.31 0.00 -1.41 0.00 0.00 60.65 60.27 1n3s s ILE 132 Cb -0.14 -3.66 -0.08 0.00 0.13 0.00 0.00 42.46 38.71 1n3s s ILE 132 CO -0.08 -0.54 1.37 -0.83 -1.91 0.00 0.00 174.94 172.96 1n3s s GLY 133 N -2.71 2.09 0.23 1.50 0.00 -0.90 -4.92 107.32 102.61 1n3s s GLY 133 Ca 0.60 1.12 -0.11 0.00 0.00 0.00 0.00 44.72 46.34 1n3s s GLY 133 CO 0.24 2.28 1.62 1.41 0.00 0.00 0.00 173.10 178.66 1n3s h LEU 134 N 6.42 -0.54 -1.61 0.66 3.38 -1.95 -1.64 115.31 120.03 1n3s h LEU 134 Ca -0.43 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1n3s h LEU 134 Cb 1.21 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1n3s h LEU 134 CO 0.84 -0.21 -0.16 0.77 0.09 0.00 0.00 178.44 179.77 1n3s h SER 135 N 0.04 0.00 0.28 -0.43 4.64 -2.01 -2.68 113.55 113.39 1n3s h SER 135 Ca 0.36 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.65 1n3s h SER 135 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1n3s h SER 135 CO -0.70 0.16 -0.15 0.11 -0.87 0.00 0.00 176.83 175.38 1n3s h LYS 136 N 0.00 0.00 -0.19 4.77 1.79 -1.68 0.31 116.57 121.56 1n3s h LYS 136 Ca -0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1n3s h LYS 136 Cb 0.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1n3s h LYS 136 CO 0.02 0.15 -0.30 0.82 -1.08 0.00 0.00 179.45 179.06 1n3s h ILE 137 N 0.00 1.34 -0.31 1.86 2.04 -1.53 -0.11 117.51 120.79 1n3s h ILE 137 Ca -0.00 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 64.27 1n3s h ILE 137 Cb 0.33 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1n3s h ILE 137 CO 0.02 0.46 -0.11 0.78 0.00 0.00 0.00 178.15 179.30 1n3s h ASN 138 N 0.21 0.51 0.40 1.72 -0.26 -1.34 -2.03 115.58 114.79 1n3s h ASN 138 Ca 0.02 -0.13 -0.20 0.00 -0.56 0.00 0.00 56.30 55.43 1n3s h ASN 138 Cb 0.88 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1n3s h ASN 138 CO 0.07 0.66 -0.85 0.03 -1.06 0.00 0.00 177.43 176.28 1n3s h ARG 139 N 0.48 0.33 -0.31 0.81 3.08 -0.81 -2.33 114.38 115.62 1n3s h ARG 139 Ca 0.09 -0.32 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 1n3s h ARG 139 Cb 0.49 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1n3s h ARG 139 CO 0.03 1.00 -0.27 0.82 -1.07 0.00 0.00 179.97 180.48 1n3s h ILE 140 N 0.20 1.30 -0.36 2.04 2.04 -0.74 -0.51 117.51 121.47 1n3s h ILE 140 Ca -0.05 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.39 1n3s h ILE 140 Cb 1.46 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1n3s h ILE 140 CO 0.14 0.46 0.22 0.58 0.00 0.00 0.00 178.15 179.55 1n3s h VAL 141 N 0.49 1.06 -0.08 1.67 2.07 -1.40 -2.60 116.25 117.46 1n3s h VAL 141 Ca 0.05 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1n3s h VAL 141 Cb 0.84 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1n3s h VAL 141 CO 0.07 0.08 -0.46 1.56 0.02 0.00 0.00 177.57 178.84 1n3s h GLN 142 N 0.45 0.19 0.61 1.57 1.08 -1.35 -1.86 115.11 115.80 1n3s h GLN 142 Ca 0.14 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1n3s h GLN 142 Cb -0.02 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1n3s h GLN 142 CO -0.05 0.61 -0.30 0.35 -0.95 0.00 0.00 178.83 178.50 1n3s h PHE 143 N 0.16 -0.76 0.00 2.96 3.57 -0.79 -0.51 116.94 121.57 1n3s h PHE 143 Ca 0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1n3s h PHE 143 Cb 0.87 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1n3s h PHE 143 CO 0.01 -0.47 -0.24 0.74 -2.23 0.00 0.00 178.31 176.13 1n3s h PHE 144 N -0.85 0.00 -0.23 0.41 0.04 -1.49 -3.09 116.94 111.74 1n3s h PHE 144 Ca -0.08 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 1n3s h PHE 144 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1n3s h PHE 144 CO -0.03 0.24 -0.25 0.00 -0.60 0.00 0.00 178.31 177.67 1n3s h ALA 145 N 1.76 0.34 0.00 2.45 0.00 -1.05 -3.32 119.26 119.44 1n3s h ALA 145 Ca -0.00 -0.38 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 1n3s h ALA 145 Cb 0.66 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1n3s h ALA 145 CO 0.03 0.31 2.78 1.04 0.00 0.00 0.00 179.25 183.41 1n3s n GLN 146 N -4.36 2.25 -3.62 0.00 1.13 -0.22 -4.25 117.38 108.31 1n3s n GLN 146 Ca -0.05 -2.15 -0.10 0.00 -1.94 0.00 0.00 57.00 52.76 1n3s n GLN 146 Cb 0.44 -3.03 -0.03 0.00 0.11 0.00 0.00 30.24 27.73 1n3s n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3s s ARG 147 N 3.94 1.35 -0.44 -1.09 0.52 -1.20 -0.87 118.95 121.17 1n3s s ARG 147 Ca 0.52 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.74 1n3s s ARG 147 Cb 0.14 0.55 0.02 0.00 0.52 0.00 0.00 34.95 36.18 1n3s s ARG 147 CO 0.01 -0.58 1.31 -2.14 0.02 0.00 0.00 175.30 173.92 1n3s s PRO 148 N -3.82 3.63 0.40 3.54 0.02 -1.26 -3.88 135.00 133.62 1n3s s PRO 148 Ca 0.05 0.80 0.08 0.00 0.02 0.00 0.00 61.00 61.95 1n3s s PRO 148 Cb -0.01 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 1n3s s PRO 148 CO -0.07 -1.50 0.23 -0.65 -0.33 0.00 0.00 177.00 174.68 1n3s s GLN 149 N 4.76 2.34 -0.10 5.54 -1.52 0.37 -4.58 119.66 126.48 1n3s s GLN 149 Ca 0.56 -1.70 0.00 0.00 -1.95 0.00 0.00 55.36 52.28 1n3s s GLN 149 Cb -0.11 -2.13 0.02 0.00 -0.22 0.00 0.00 33.01 30.57 1n3s s GLN 149 CO 0.32 -0.09 -0.08 0.08 -0.25 0.00 0.00 175.29 175.26 1n3s s VAL 150 N -2.53 1.01 0.35 1.09 1.01 -1.26 -0.80 120.40 119.27 1n3s s VAL 150 Ca 0.42 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.17 1n3s s VAL 150 Cb 0.01 -1.00 0.32 0.00 0.00 0.00 0.00 36.38 35.71 1n3s s VAL 150 CO 0.24 0.35 1.87 -0.61 0.00 0.00 0.00 175.10 176.95 1n3s h GLN 151 N 7.81 0.68 -0.21 2.72 4.15 -1.98 -0.13 115.11 128.16 1n3s h GLN 151 Ca -0.30 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 58.88 1n3s h GLN 151 Cb 1.15 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1n3s h GLN 151 CO 0.42 0.45 -0.65 0.93 -1.93 0.00 0.00 178.83 178.05 1n3s h GLU 152 N 0.70 0.76 -0.09 1.69 3.07 -1.97 -1.95 114.58 116.80 1n3s h GLU 152 Ca 0.45 -0.54 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1n3s h GLU 152 Cb 0.70 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1n3s h GLU 152 CO -0.21 1.16 -0.02 -0.09 -1.40 0.00 0.00 179.01 178.46 1n3s h ARG 153 N 0.55 0.17 -0.67 2.33 2.43 -1.89 -2.81 114.38 114.49 1n3s h ARG 153 Ca -0.02 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1n3s h ARG 153 Cb 1.26 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.72 1n3s h ARG 153 CO 0.13 0.48 0.29 1.25 -1.51 0.00 0.00 179.97 180.61 1n3s h LEU 154 N -0.16 0.33 -0.87 3.80 5.85 -1.02 -0.22 115.31 123.03 1n3s h LEU 154 Ca 0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1n3s h LEU 154 Cb 0.41 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1n3s h LEU 154 CO 0.01 0.19 0.46 0.74 -0.34 0.00 0.00 178.44 179.50 1n3s h THR 155 N 0.49 1.25 -0.19 1.05 2.02 -1.30 -2.57 112.91 113.67 1n3s h THR 155 Ca 0.34 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1n3s h THR 155 Cb 0.40 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1n3s h THR 155 CO -0.30 0.29 -0.13 1.56 0.37 0.00 0.00 175.52 177.32 1n3s h GLN 156 N 1.21 0.41 -0.91 6.66 1.08 -1.02 -2.56 115.11 119.99 1n3s h GLN 156 Ca 0.30 -0.20 0.14 0.00 -1.45 0.00 0.00 58.65 57.45 1n3s h GLN 156 Cb 0.05 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.38 1n3s h GLN 156 CO -0.05 0.74 0.53 1.96 -0.95 0.00 0.00 178.83 181.06 1n3s h GLN 157 N 0.09 0.76 -0.14 1.46 4.20 -0.86 0.76 115.11 121.37 1n3s h GLN 157 Ca 0.04 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1n3s h GLN 157 Cb 0.63 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1n3s h GLN 157 CO 0.03 0.50 -0.58 0.82 -0.67 0.00 0.00 178.83 178.94 1n3s h ILE 158 N 0.78 1.34 0.31 2.54 2.04 -1.45 -1.65 117.51 121.42 1n3s h ILE 158 Ca 0.48 -1.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 1n3s h ILE 158 Cb 0.60 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1n3s h ILE 158 CO -0.32 0.57 -0.15 0.25 0.00 0.00 0.00 178.15 178.50 1n3s h LEU 159 N 0.34 -0.36 -1.23 1.44 5.85 -0.65 -2.04 115.31 118.66 1n3s h LEU 159 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1n3s h LEU 159 Cb 1.11 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1n3s h LEU 159 CO 0.10 0.04 0.32 0.40 -0.34 0.00 0.00 178.44 178.97 1n3s h ILE 160 N -0.82 1.19 -0.14 4.05 5.03 -0.96 0.76 117.51 126.62 1n3s h ILE 160 Ca -0.04 -0.50 -0.01 0.00 -0.12 0.00 0.00 64.86 64.18 1n3s h ILE 160 Cb 0.52 0.37 -0.01 0.00 -3.03 0.00 0.00 36.82 34.67 1n3s h ILE 160 CO 0.07 0.22 0.05 0.00 -0.68 0.00 0.00 178.15 177.81 1n3s h ALA 161 N 1.49 0.18 -0.03 1.87 0.00 -1.31 -0.70 119.26 120.77 1n3s h ALA 161 Ca 0.22 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1n3s h ALA 161 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n3s h ALA 161 CO -0.03 -0.22 -0.47 -0.07 0.00 0.00 0.00 179.25 178.45 1n3s h LEU 162 N 0.07 0.07 -0.52 0.00 3.38 -0.87 -2.34 115.31 115.10 1n3s h LEU 162 Ca 0.05 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1n3s h LEU 162 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1n3s h LEU 162 CO -0.00 0.54 -0.31 1.56 0.09 0.00 0.00 178.44 180.31 1n3s h GLN 163 N 0.06 0.88 0.31 1.13 4.20 -0.56 -2.10 115.11 119.02 1n3s h GLN 163 Ca 0.00 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1n3s h GLN 163 Cb 0.86 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1n3s h GLN 163 CO 0.06 1.06 -0.15 1.15 -0.67 0.00 0.00 178.83 180.28 1n3s h THR 164 N 0.74 0.67 -0.86 -0.54 2.02 -0.94 -0.67 112.91 113.33 1n3s h THR 164 Ca 0.08 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.66 1n3s h THR 164 Cb 0.87 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1n3s h THR 164 CO 0.08 0.11 0.57 -0.07 0.37 0.00 0.00 175.52 176.58 1n3s h LEU 165 N -0.78 0.97 0.00 2.58 3.38 -1.47 -2.86 115.31 117.14 1n3s h LEU 165 Ca -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n3s h LEU 165 Cb 0.51 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1n3s h LEU 165 CO 0.07 0.70 -0.63 0.18 0.09 0.00 0.00 178.44 178.85 1n3s n LEU 166 N -4.41 0.58 -2.02 1.67 4.77 -0.79 -4.96 117.00 111.84 1n3s n LEU 166 Ca 0.10 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 1n3s n LEU 166 Cb 0.04 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1n3s n LEU 166 CO 0.36 0.07 -0.23 0.61 -1.33 0.00 0.00 177.39 176.87 1n3s n GLY 167 N 1.44 -0.16 3.05 -0.72 0.00 -0.28 -4.57 105.19 103.95 1n3s n GLY 167 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1n3s n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3s s THR 168 N -2.89 0.53 -0.28 2.61 2.01 -1.04 -4.94 115.64 111.64 1n3s s THR 168 Ca 0.00 -1.01 0.23 0.00 0.31 0.00 0.00 61.69 61.22 1n3s s THR 168 Cb 0.00 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1n3s s THR 168 CO 0.00 -0.34 0.97 0.59 -0.69 0.00 0.00 174.62 175.16 1n3s n ASN 169 N 1.59 0.67 -3.40 3.53 3.02 -1.26 -4.40 115.26 115.01 1n3s n ASN 169 Ca -0.22 0.19 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 1n3s n ASN 169 Cb 0.55 0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 40.39 1n3s n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3s n ASN 170 N -2.47 3.29 -4.07 6.41 3.02 -1.26 -2.34 115.26 117.83 1n3s n ASN 170 Ca -0.00 -2.48 -0.17 0.00 -0.03 0.00 0.00 54.58 51.90 1n3s n ASN 170 Cb 0.53 -1.04 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 1n3s n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3s s VAL 171 N 4.43 0.75 -0.04 2.41 1.01 -1.24 -1.76 120.40 125.97 1n3s s VAL 171 Ca 0.47 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1n3s s VAL 171 Cb 0.12 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1n3s s VAL 171 CO 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 175.10 175.01 1n3s s ALA 172 N -0.85 0.66 -0.08 5.51 0.00 0.15 -1.50 121.76 125.65 1n3s s ALA 172 Ca -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1n3s s ALA 172 Cb -0.07 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1n3s s ALA 172 CO 0.01 0.03 -0.12 0.08 0.00 0.00 0.00 175.76 175.75 1n3s s VAL 173 N 0.69 1.20 -0.05 0.00 1.01 -0.10 -1.37 120.40 121.78 1n3s s VAL 173 Ca -0.09 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1n3s s VAL 173 Cb -0.12 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1n3s s VAL 173 CO 0.00 0.37 -0.07 -0.55 0.00 0.00 0.00 175.10 174.85 1n3s s SER 174 N 0.81 1.27 -0.22 3.32 0.15 -0.09 0.32 113.70 119.25 1n3s s SER 174 Ca -0.12 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1n3s s SER 174 Cb -0.15 -0.59 0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1n3s s SER 174 CO 0.02 -0.02 -0.14 -0.63 1.20 0.00 0.00 173.24 173.66 1n3s s ILE 175 N 0.83 2.03 -0.38 6.45 1.01 -0.29 -0.36 121.20 130.49 1n3s s ILE 175 Ca -0.12 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 1n3s s ILE 175 Cb -0.15 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1n3s s ILE 175 CO 0.01 0.22 0.25 -0.62 0.00 0.00 0.00 174.94 174.80 1n3s s ASP 176 N 1.23 5.92 0.13 3.58 2.15 0.21 -1.38 116.67 128.51 1n3s s ASP 176 Ca -0.02 -0.84 0.03 0.00 0.43 0.00 0.00 52.55 52.15 1n3s s ASP 176 Cb -0.17 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1n3s s ASP 176 CO -0.09 -0.38 -0.09 0.00 -0.17 0.00 0.00 175.17 174.45 1n3s s ALA 177 N 1.63 1.26 -0.21 3.66 0.00 0.12 -1.04 121.76 127.18 1n3s s ALA 177 Ca 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1n3s s ALA 177 Cb -0.19 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1n3s s ALA 177 CO 0.09 -0.13 -0.14 0.08 0.00 0.00 0.00 175.76 175.65 1n3s s VAL 178 N -3.32 2.40 -0.30 0.00 1.01 0.42 0.01 120.40 120.63 1n3s s VAL 178 Ca 0.14 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1n3s s VAL 178 Cb 0.03 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1n3s s VAL 178 CO -0.01 0.40 0.40 -1.00 0.00 0.00 0.00 175.10 174.89 1n3s s HIS 179 N 1.30 3.23 -1.54 5.22 3.76 -1.26 -1.53 115.29 124.48 1n3s s HIS 179 Ca 0.03 0.29 0.15 0.00 -0.15 0.00 0.00 55.06 55.38 1n3s s HIS 179 Cb -0.15 -2.66 0.81 0.00 1.11 0.00 0.00 32.58 31.69 1n3s s HIS 179 CO -0.09 -0.33 1.42 0.66 -0.85 0.00 0.00 174.74 175.55 1n3s n TYR 180 N 5.42 0.00 0.43 1.40 4.02 -0.83 -1.26 117.16 126.33 1n3s n TYR 180 Ca -0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.93 1n3s n TYR 180 Cb 0.50 -0.23 0.16 0.00 -0.02 0.00 0.00 39.34 39.75 1n3s n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3s n VAL 182 N -2.38 1.62 -0.01 0.00 0.31 -0.39 -4.13 118.33 113.35 1n3s n VAL 182 Ca 0.03 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.84 1n3s n VAL 182 Cb 0.47 -1.79 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 1n3s n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3s h LYS 183 N -0.42 -0.09 -0.29 5.55 3.64 -1.41 -1.96 116.57 121.59 1n3s h LYS 183 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1n3s h LYS 183 Cb 1.73 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1n3s h LYS 183 CO -0.11 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.54 1n3s n ALA 184 N -2.59 2.47 -3.49 5.00 0.00 -0.74 -3.79 120.51 117.38 1n3s n ALA 184 Ca -0.07 -0.74 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1n3s n ALA 184 Cb 0.30 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1n3s n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3s s ARG 185 N -1.63 1.47 6.35 0.00 3.52 -1.24 -4.97 118.95 122.46 1n3s s ARG 185 Ca 0.35 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1n3s s ARG 185 Cb 0.19 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 34.15 1n3s s ARG 185 CO 0.28 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1n3s n GLY 186 N -0.39 1.83 0.24 8.12 0.00 -1.26 -2.01 105.19 111.72 1n3s n GLY 186 Ca -0.10 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1n3s n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3s h ILE 187 N 0.00 0.00 -6.33 -0.61 6.09 -1.83 -3.47 117.51 111.35 1n3s h ILE 187 Ca 0.00 -0.40 -0.47 0.00 -1.37 0.00 0.00 64.86 62.62 1n3s h ILE 187 Cb 0.00 1.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 1n3s h ILE 187 CO 0.00 0.00 -0.86 0.54 -3.07 0.00 0.00 178.15 174.76 1n3s n ARG 188 N -2.84 -3.95 -2.72 2.19 1.74 -0.85 -4.91 116.66 105.32 1n3s n ARG 188 Ca 0.01 0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1n3s n ARG 188 Cb 0.27 -4.79 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 1n3s n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3s s ASP 189 N -4.36 6.32 0.51 0.55 -1.08 -0.78 -4.89 116.67 112.94 1n3s s ASP 189 Ca 0.01 -0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.02 1n3s s ASP 189 Cb -0.01 -2.49 1.02 0.00 -1.46 0.00 0.00 42.92 39.98 1n3s s ASP 189 CO 0.86 -1.43 1.86 0.00 0.52 0.00 0.00 175.17 176.98 1n3s h ALA 190 N 9.53 1.00 0.00 3.66 0.00 -1.88 -3.35 119.26 128.22 1n3s h ALA 190 Ca -0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1n3s h ALA 190 Cb 1.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1n3s h ALA 190 CO 1.16 0.02 -1.63 0.25 0.00 0.00 0.00 179.25 179.05 1n3s n THR 191 N -3.11 0.06 -2.42 0.00 -2.24 -1.26 -5.03 114.28 100.28 1n3s n THR 191 Ca 0.02 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 1n3s n THR 191 Cb 0.39 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1n3s n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3s s SER 192 N -3.60 6.48 0.04 3.42 1.04 -1.26 -5.08 113.70 114.74 1n3s s SER 192 Ca -0.05 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.54 1n3s s SER 192 Cb 0.08 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1n3s s SER 192 CO 0.55 -0.69 -0.05 0.00 0.98 0.00 0.00 173.24 174.02 1n3s s ALA 193 N -1.62 0.39 -0.12 5.32 0.00 -1.26 -4.81 121.76 119.65 1n3s s ALA 193 Ca 0.61 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 1n3s s ALA 193 Cb -0.25 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1n3s s ALA 193 CO 0.30 -0.11 -0.12 0.99 0.00 0.00 0.00 175.76 176.82 1n3s s THR 194 N -1.68 3.18 -0.14 0.00 2.01 0.10 -4.94 115.64 114.17 1n3s s THR 194 Ca -0.10 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1n3s s THR 194 Cb -0.08 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1n3s s THR 194 CO -0.01 0.53 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.45 1n3s s THR 195 N 0.19 3.18 -0.14 -0.82 2.01 -1.26 0.12 115.64 118.92 1n3s s THR 195 Ca -0.07 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 1n3s s THR 195 Cb -0.15 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.03 1n3s s THR 195 CO 0.05 0.51 -0.10 0.42 -0.69 0.00 0.00 174.62 174.81 1n3s s THR 196 N 0.47 1.26 -0.09 -0.82 -4.23 -0.48 -4.99 115.64 106.77 1n3s s THR 196 Ca -0.08 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1n3s s THR 196 Cb -0.15 -1.27 -0.00 0.00 1.34 0.00 0.00 72.50 72.41 1n3s s THR 196 CO 0.04 0.35 -0.24 0.28 -0.54 0.00 0.00 174.62 174.51 1n3s s THR 197 N 1.60 2.02 -0.25 3.99 -1.32 -1.26 -1.14 115.64 119.28 1n3s s THR 197 Ca 0.04 -1.01 -0.02 0.00 -1.21 0.00 0.00 61.69 59.49 1n3s s THR 197 Cb -0.13 -1.74 0.03 0.00 -1.51 0.00 0.00 72.50 69.14 1n3s s THR 197 CO -0.09 0.55 -0.06 -0.44 -2.21 0.00 0.00 174.62 172.38 1n3s s SER 198 N 0.23 4.33 -0.11 8.08 0.01 0.15 -5.00 113.70 121.39 1n3s s SER 198 Ca -0.15 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.19 1n3s s SER 198 Cb -0.17 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1n3s s SER 198 CO 0.08 -0.13 0.09 -0.76 0.41 0.00 0.00 173.24 172.93 1n3s s LEU 199 N 1.33 4.09 0.05 2.44 1.43 -1.26 -0.92 118.68 125.84 1n3s s LEU 199 Ca 0.00 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1n3s s LEU 199 Cb -0.17 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1n3s s LEU 199 CO -0.04 0.39 -0.08 -0.83 0.23 0.00 0.00 176.35 176.01 1n3s s GLY 200 N -0.94 0.57 0.00 -3.19 0.00 -0.56 -4.72 107.32 98.49 1n3s s GLY 200 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1n3s s GLY 200 CO 0.03 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.84 1n3s n GLY 201 N 1.30 3.91 0.25 0.20 0.00 -0.99 -1.91 105.19 107.95 1n3s n GLY 201 Ca -0.22 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1n3s n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 202 N 0.00 0.00 0.00 0.99 3.38 -1.91 0.52 115.31 118.29 1n3s h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3s h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3s h LEU 202 CO 0.00 0.15 0.00 0.49 0.09 0.00 0.00 178.44 179.17 1n3s n PHE 203 N -3.76 0.00 0.00 1.13 3.72 -0.80 -3.29 117.46 114.45 1n3s n PHE 203 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1n3s n PHE 203 Cb 0.26 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 1n3s n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3s n LYS 204 N -1.49 0.00 0.24 -1.08 4.81 -0.35 -4.15 118.16 116.14 1n3s n LYS 204 Ca 0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.34 1n3s n LYS 204 Cb 0.24 -0.08 -0.08 0.00 0.02 0.00 0.00 35.03 35.13 1n3s n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3s h SER 205 N 0.00 -0.66 -3.23 3.14 4.64 -1.14 -3.42 113.55 112.89 1n3s h SER 205 Ca 0.00 0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.82 1n3s h SER 205 Cb 0.00 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1n3s h SER 205 CO 0.00 -0.41 0.54 -0.55 -0.87 0.00 0.00 176.83 175.54 1n3s s SER 206 N -4.65 7.14 0.34 4.97 0.15 -1.21 -4.94 113.70 115.50 1n3s s SER 206 Ca -0.16 1.91 0.03 0.00 0.70 0.00 0.00 55.95 58.42 1n3s s SER 206 Cb 0.05 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 62.39 1n3s s SER 206 CO 0.64 -0.44 1.91 -0.61 1.20 0.00 0.00 173.24 175.94 1n3s h GLN 207 N 6.89 0.65 0.41 5.44 5.75 -1.81 -3.25 115.11 129.19 1n3s h GLN 207 Ca -0.40 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 1n3s h GLN 207 Cb 1.21 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1n3s h GLN 207 CO 0.81 0.57 -0.29 -0.97 -2.65 0.00 0.00 178.83 176.30 1n3s h ASN 208 N 0.64 -0.75 0.70 -0.69 -1.24 -1.92 -3.20 115.58 109.13 1n3s h ASN 208 Ca 0.15 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1n3s h ASN 208 Cb 0.19 0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1n3s h ASN 208 CO -0.01 -0.42 0.00 0.41 -1.29 0.00 0.00 177.43 176.12 1n3s n THR 209 N -4.13 0.84 -0.13 -3.57 -1.04 -1.25 -2.94 114.28 102.06 1n3s n THR 209 Ca -0.08 0.20 -0.12 0.00 -2.04 0.00 0.00 64.05 62.01 1n3s n THR 209 Cb 0.28 -1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.73 1n3s n THR 209 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1n3s h ARG 210 N 0.00 0.85 0.00 -2.82 2.43 -1.58 -3.01 114.38 110.25 1n3s h ARG 210 Ca 0.00 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1n3s h ARG 210 Cb 0.35 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1n3s h ARG 210 CO 0.00 1.02 -0.43 0.72 -1.51 0.00 0.00 179.97 179.77 1n3s n HIS 211 N -4.22 0.56 0.12 2.20 8.25 -1.15 -3.15 115.22 117.83 1n3s n HIS 211 Ca -0.02 0.16 -0.02 0.00 -0.26 0.00 0.00 57.72 57.58 1n3s n HIS 211 Cb 0.44 -0.68 0.14 0.00 1.12 0.00 0.00 29.99 31.01 1n3s n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1n3s h GLU 212 N 0.00 0.04 0.00 -0.41 5.08 -1.50 -3.26 114.58 114.54 1n3s h GLU 212 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1n3s h GLU 212 Cb 0.70 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1n3s h GLU 212 CO 0.00 0.68 -0.27 0.35 -1.00 0.00 0.00 179.01 178.76 1n3s h PHE 213 N 0.03 0.00 -1.42 4.33 3.57 -1.63 -3.37 116.94 118.45 1n3s h PHE 213 Ca -0.01 0.00 0.41 0.00 3.53 0.00 0.00 57.97 61.90 1n3s h PHE 213 Cb 1.15 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 1n3s h PHE 213 CO 0.00 0.00 1.19 -0.07 -2.23 0.00 0.00 178.31 177.20 1n3s h LEU 214 N -0.60 0.00 0.17 0.59 3.38 -1.71 0.25 115.31 117.40 1n3s h LEU 214 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1n3s h LEU 214 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1n3s h LEU 214 CO 0.00 0.00 -1.44 -0.09 0.09 0.00 0.00 178.44 177.00 1n3s h ARG 215 N 0.00 0.37 -0.49 1.13 2.43 -1.78 -3.31 114.38 112.72 1n3s h ARG 215 Ca 0.67 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1n3s h ARG 215 Cb 3.05 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 32.83 1n3s h ARG 215 CO -0.01 1.30 0.00 0.00 -1.51 0.00 0.00 179.97 179.75 1n3s n ALA 216 N -2.83 2.58 -2.90 2.80 0.00 0.81 -4.77 120.51 116.20 1n3s n ALA 216 Ca -0.21 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 52.71 1n3s n ALA 216 Cb 0.99 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 1n3s n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3s s VAL 217 N -1.58 5.32 -0.01 0.00 1.01 -0.86 -4.76 120.40 119.52 1n3s s VAL 217 Ca 0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1n3s s VAL 217 Cb 0.04 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1n3s s VAL 217 CO 0.03 0.17 0.02 -1.14 0.00 0.00 0.00 175.10 174.18 1n3s n ARG 218 N 0.42 -0.04 -5.01 2.72 0.00 -1.26 -5.00 116.66 108.48 1n3s n ARG 218 Ca -0.06 0.53 -0.30 0.00 -0.00 0.00 0.00 57.85 58.02 1n3s n ARG 218 Cb 0.51 -1.60 -0.15 0.00 0.00 0.00 0.00 32.46 31.22 1n3s n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3s s HIS 219 N -2.14 2.24 -0.26 -0.14 3.76 -1.26 -5.12 115.29 112.37 1n3s s HIS 219 Ca 0.00 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1n3s s HIS 219 Cb -0.00 -1.38 0.04 0.00 1.11 0.00 0.00 32.58 32.35 1n3s s HIS 219 CO 0.02 0.06 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.32 1n3s s HIS 220 N -0.72 3.15 0.00 1.40 2.46 -1.26 -4.89 115.29 115.43 1n3s s HIS 220 Ca 0.11 -1.84 0.00 0.00 0.47 0.00 0.00 55.06 53.79 1n3s s HIS 220 Cb -0.10 -2.03 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 1n3s s HIS 220 CO 0.01 -0.79 0.00 0.09 -2.47 0.00 0.00 174.74 171.57