#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 -1.89 0.00 3.54 2.88 -1.26 -5.20 113.62 111.69 1n3s n SER 2 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1n3s n SER 2 Cb 0.00 1.92 0.00 0.00 -0.75 0.00 0.00 64.21 65.38 1n3s n SER 2 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1n3s n LEU 3 N -3.13 0.00 -4.06 2.46 0.00 -1.26 -4.83 117.00 106.18 1n3s n LEU 3 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1n3s n LEU 3 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.31 1n3s n LEU 3 CO 0.00 0.00 -0.40 -0.55 0.00 0.00 0.00 177.39 176.44 1n3s s SER 4 N 1.00 0.88 0.02 1.96 0.15 -1.26 -5.07 113.70 111.38 1n3s s SER 4 Ca 0.00 -0.54 -0.25 0.00 0.70 0.00 0.00 55.95 55.85 1n3s s SER 4 Cb 0.00 0.03 -0.17 0.00 -1.71 0.00 0.00 66.02 64.17 1n3s s SER 4 CO 0.00 -0.19 1.39 0.11 1.20 0.00 0.00 173.24 175.74 1n3s h LYS 5 N 4.52 -0.22 0.00 5.44 1.57 -1.99 -0.16 116.57 125.72 1n3s h LYS 5 Ca -0.36 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 1n3s h LYS 5 Cb 1.20 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1n3s h LYS 5 CO 0.41 0.07 -0.29 0.93 -0.57 0.00 0.00 179.45 180.00 1n3s h GLU 6 N -0.51 0.00 -0.12 3.15 3.07 -1.98 -1.41 114.58 116.78 1n3s h GLU 6 Ca -0.02 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.63 1n3s h GLU 6 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1n3s h GLU 6 CO 0.04 0.29 -0.75 0.00 -1.40 0.00 0.00 179.01 177.18 1n3s h ALA 7 N 1.71 0.46 -0.17 3.43 0.00 -1.88 -2.74 119.26 120.07 1n3s h ALA 7 Ca -0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 1n3s h ALA 7 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n3s h ALA 7 CO 0.04 0.72 -0.63 0.00 0.00 0.00 0.00 179.25 179.38 1n3s h ALA 8 N 0.75 0.58 -0.53 0.00 0.00 -0.54 -1.57 119.26 117.94 1n3s h ALA 8 Ca -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1n3s h ALA 8 Cb 1.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1n3s h ALA 8 CO 0.14 0.71 -0.09 -0.07 0.00 0.00 0.00 179.25 179.94 1n3s h LEU 9 N 0.44 0.98 -0.08 0.00 3.38 -1.29 -1.51 115.31 117.23 1n3s h LEU 9 Ca -0.01 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1n3s h LEU 9 Cb 1.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1n3s h LEU 9 CO 0.12 1.08 -0.10 0.58 0.09 0.00 0.00 178.44 180.21 1n3s h VAL 10 N 0.88 1.38 -0.48 1.22 2.07 -1.47 -2.20 116.25 117.65 1n3s h VAL 10 Ca 0.14 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.41 1n3s h VAL 10 Cb 0.64 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 1n3s h VAL 10 CO 0.04 0.37 0.18 -0.74 0.02 0.00 0.00 177.57 177.44 1n3s h HIS 11 N -0.24 0.32 -0.36 1.57 -0.00 -1.22 -1.10 115.15 114.13 1n3s h HIS 11 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1n3s h HIS 11 Cb 0.64 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 1n3s h HIS 11 CO 0.10 0.11 0.18 1.49 -0.00 0.00 0.00 177.93 179.81 1n3s h GLU 12 N 0.36 0.51 -0.73 5.26 4.81 -1.30 -0.16 114.58 123.33 1n3s h GLU 12 Ca 0.23 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1n3s h GLU 12 Cb 0.23 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1n3s h GLU 12 CO -0.23 0.45 0.41 0.00 -0.73 0.00 0.00 179.01 178.91 1n3s h ALA 13 N 1.03 1.35 -0.10 2.92 0.00 -0.89 -1.17 119.26 122.41 1n3s h ALA 13 Ca 0.12 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1n3s h ALA 13 Cb 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1n3s h ALA 13 CO -0.02 0.54 -0.86 -0.07 0.00 0.00 0.00 179.25 178.84 1n3s h LEU 14 N 1.01 0.90 -0.99 0.00 3.38 -0.88 -3.05 115.31 115.68 1n3s h LEU 14 Ca 0.26 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1n3s h LEU 14 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1n3s h LEU 14 CO -0.04 1.43 0.04 0.58 0.09 0.00 0.00 178.44 180.54 1n3s h VAL 15 N 0.47 1.23 0.00 1.22 2.07 -0.79 0.23 116.25 120.69 1n3s h VAL 15 Ca -0.08 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1n3s h VAL 15 Cb 1.50 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1n3s h VAL 15 CO 0.17 0.33 -0.06 0.00 0.02 0.00 0.00 177.57 178.03 1n3s h ALA 16 N 1.32 1.14 -0.05 1.67 0.00 -1.17 -2.12 119.26 120.04 1n3s h ALA 16 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n3s h ALA 16 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n3s h ALA 16 CO 0.01 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.88 1n3s n ARG 17 N -3.36 1.05 -1.90 0.00 3.00 -0.86 -4.99 116.66 109.60 1n3s n ARG 17 Ca -0.01 -1.38 -0.07 0.00 -0.01 0.00 0.00 57.85 56.38 1n3s n ARG 17 Cb 0.22 -1.27 -0.01 0.00 0.00 0.00 0.00 32.46 31.40 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 0.76 0.29 0.64 -0.13 0.00 -0.58 -4.93 105.19 101.23 1n3s n GLY 18 Ca 0.08 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.91 2.31 -4.13 0.99 4.77 -0.03 -4.98 117.00 115.01 1n3s n LEU 19 Ca -0.08 -0.85 -0.09 0.00 -0.03 0.00 0.00 56.01 54.97 1n3s n LEU 19 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1n3s n LEU 19 CO 0.09 0.41 -0.33 -1.61 -1.33 0.00 0.00 177.39 174.63 1n3s s GLU 20 N -2.22 0.79 -0.13 3.23 0.41 -1.21 -4.93 118.70 114.64 1n3s s GLU 20 Ca 0.21 -1.34 -0.21 0.00 -0.41 0.00 0.00 54.97 53.22 1n3s s GLU 20 Cb 0.18 0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.69 1n3s s GLU 20 CO 0.45 -0.18 0.59 0.99 -0.49 0.00 0.00 175.26 176.62 1n3s s THR 21 N -3.97 5.10 -0.09 3.63 2.01 -1.26 -4.63 115.64 116.43 1n3s s THR 21 Ca 0.16 1.17 -0.32 0.00 0.31 0.00 0.00 61.69 63.01 1n3s s THR 21 Cb 0.08 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 1n3s s THR 21 CO -0.03 0.24 1.99 -0.81 -0.69 0.00 0.00 174.62 175.31 1n3s n PRO 22 N 4.13 2.29 -1.45 4.92 -0.04 -1.26 -4.78 135.00 138.82 1n3s n PRO 22 Ca -0.04 0.81 -0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1n3s n PRO 22 Cb 0.51 -2.84 -0.10 0.00 -0.04 0.00 0.00 33.50 31.03 1n3s n PRO 22 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1n3s n LEU 23 N 7.94 0.47 -3.44 1.53 7.94 -1.26 -4.84 117.00 125.33 1n3s n LEU 23 Ca 0.24 -1.83 -0.22 0.00 -1.11 0.00 0.00 56.01 53.09 1n3s n LEU 23 Cb 0.35 -1.37 -0.11 0.00 0.53 0.00 0.00 43.42 42.82 1n3s n LEU 23 CO 0.71 -2.79 -0.23 -0.60 -1.11 0.00 0.00 177.39 173.36 1n3s s ARG 24 N 7.78 0.34 0.00 1.96 3.52 -1.26 -5.01 118.95 126.27 1n3s s ARG 24 Ca 0.73 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1n3s s ARG 24 Cb -0.14 -0.87 0.00 0.00 -1.56 0.00 0.00 34.95 32.38 1n3s s ARG 24 CO 0.17 -1.06 0.00 -2.30 -0.81 0.00 0.00 175.30 171.29 1n3s n PRO 25 N 5.07 0.08 0.00 5.12 -0.02 -1.26 -4.93 135.00 139.06 1n3s n PRO 25 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1n3s n PRO 25 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 1n3s n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n3s n PRO 26 N 0.00 0.00 0.00 0.52 -0.02 -1.26 -5.10 135.00 129.14 1n3s n PRO 26 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1n3s n PRO 26 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1n3s n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n3s n VAL 27 N -1.05 0.00 -3.49 -1.45 0.31 -1.26 -4.06 118.33 107.32 1n3s n VAL 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1n3s n VAL 27 Cb 0.06 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.91 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 3.31 0.00 3.52 -3.43 -1.26 -4.94 115.29 112.50 1n3s s HIS 28 Ca 0.00 -1.38 0.00 0.00 -0.80 0.00 0.00 55.06 52.88 1n3s s HIS 28 Cb 0.00 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 27.93 1n3s s HIS 28 CO 0.00 -0.88 0.00 0.39 -2.00 0.00 0.00 174.74 172.25 1n3s n GLU 29 N 5.04 0.00 -3.26 -0.38 1.02 -1.26 -4.84 120.64 116.96 1n3s n GLU 29 Ca -0.11 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.64 1n3s n GLU 29 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.78 1n3s n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n3s s MET 30 N 0.00 4.24 0.22 3.49 1.75 -1.26 -5.02 119.30 122.73 1n3s s MET 30 Ca 0.00 0.43 -0.32 0.00 -1.25 0.00 0.00 55.69 54.56 1n3s s MET 30 Cb 0.00 -3.52 -0.12 0.00 2.84 0.00 0.00 34.83 34.03 1n3s s MET 30 CO 0.00 -0.05 1.67 -3.47 -0.65 0.00 0.00 175.02 172.53 1n3s n ASP 31 N 4.42 3.84 -0.34 1.11 2.03 -1.26 -4.89 116.55 121.46 1n3s n ASP 31 Ca -0.05 1.08 0.17 0.00 0.52 0.00 0.00 54.79 56.51 1n3s n ASP 31 Cb 0.51 -1.56 0.40 0.00 -0.72 0.00 0.00 41.12 39.75 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 6.20 0.65 1.73 1.67 -1.24 -2.00 -0.98 115.58 121.60 1n3s h ASN 32 Ca -0.44 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 56.67 1n3s h ASN 32 Cb 1.21 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.26 1n3s h ASN 32 CO 0.91 0.16 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.88 1n3s h GLU 33 N 0.59 0.00 0.00 6.67 3.07 -2.00 -3.09 114.58 119.82 1n3s h GLU 33 Ca 0.60 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.25 1n3s h GLU 33 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1n3s h GLU 33 CO -0.39 0.01 -1.29 1.15 -1.40 0.00 0.00 179.01 177.09 1n3s h THR 34 N 0.00 0.94 -0.33 1.13 2.02 -1.57 -3.06 112.91 112.04 1n3s h THR 34 Ca -0.00 -2.58 -0.10 0.00 0.77 0.00 0.00 66.41 64.49 1n3s h THR 34 Cb 0.87 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1n3s h THR 34 CO 0.00 0.53 -0.22 0.03 0.37 0.00 0.00 175.52 176.23 1n3s h ARG 35 N 0.00 0.65 -0.21 6.66 3.08 -1.35 -1.69 114.38 121.51 1n3s h ARG 35 Ca -0.15 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 1n3s h ARG 35 Cb 1.74 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.75 1n3s h ARG 35 CO 0.08 0.82 -0.07 0.87 -1.07 0.00 0.00 179.97 180.60 1n3s h LYS 36 N 0.57 0.42 -0.04 0.04 1.57 -1.61 -1.73 116.57 115.79 1n3s h LYS 36 Ca 0.08 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1n3s h LYS 36 Cb 0.69 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1n3s h LYS 36 CO 0.05 0.68 -0.43 0.66 -0.57 0.00 0.00 179.45 179.84 1n3s h SER 37 N 0.14 0.09 -0.05 0.86 4.64 -1.42 0.01 113.55 117.83 1n3s h SER 37 Ca 0.05 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 1n3s h SER 37 Cb 0.53 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1n3s h SER 37 CO 0.02 0.51 -0.76 -0.07 -0.87 0.00 0.00 176.83 175.66 1n3s h LEU 38 N 0.07 0.75 -0.67 5.97 3.38 -1.27 -1.14 115.31 122.40 1n3s h LEU 38 Ca 0.00 -0.71 -0.12 0.00 0.09 0.00 0.00 57.88 57.15 1n3s h LEU 38 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1n3s h LEU 38 CO 0.06 1.35 -0.21 0.40 0.09 0.00 0.00 178.44 180.13 1n3s h ILE 39 N 0.22 1.27 -0.31 1.22 2.04 -1.22 -0.60 117.51 120.14 1n3s h ILE 39 Ca -0.08 -1.33 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 1n3s h ILE 39 Cb 1.43 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1n3s h ILE 39 CO 0.15 0.45 -0.15 0.00 0.00 0.00 0.00 178.15 178.60 1n3s h ALA 40 N 1.05 1.16 -0.32 1.87 0.00 -1.01 -0.07 119.26 121.95 1n3s h ALA 40 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1n3s h ALA 40 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1n3s h ALA 40 CO 0.06 0.53 -0.39 0.78 0.00 0.00 0.00 179.25 180.23 1n3s h GLY 41 N 0.96 0.82 1.81 0.00 0.00 -0.68 -1.35 103.07 104.62 1n3s h GLY 41 Ca 0.09 -0.82 -0.16 0.00 0.00 0.00 0.00 47.33 46.43 1n3s h GLY 41 CO 0.04 0.74 -0.68 0.45 0.00 0.00 0.00 176.54 177.09 1n3s h HIS 42 N 0.62 0.26 0.00 5.60 -0.00 -0.59 -2.89 115.15 118.14 1n3s h HIS 42 Ca 0.05 -0.11 -0.15 0.00 -0.00 0.00 0.00 60.37 60.16 1n3s h HIS 42 Cb 0.94 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.28 1n3s h HIS 42 CO 0.05 0.81 -0.71 0.52 -0.00 0.00 0.00 177.93 178.61 1n3s h MET 43 N 0.13 0.00 -0.67 2.45 2.86 -0.90 -2.56 114.93 116.24 1n3s h MET 43 Ca -0.02 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1n3s h MET 43 Cb 1.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.85 1n3s h MET 43 CO 0.10 0.71 0.11 1.15 1.06 0.00 0.00 176.91 180.04 1n3s h THR 44 N 0.00 1.26 -0.41 2.22 2.02 -1.15 -1.63 112.91 115.23 1n3s h THR 44 Ca -0.01 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.00 1n3s h THR 44 Cb 1.33 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1n3s h THR 44 CO 0.09 0.39 -0.29 -0.33 0.37 0.00 0.00 175.52 175.75 1n3s h GLU 45 N 1.02 0.88 -0.45 6.66 4.39 -1.43 -2.29 114.58 123.36 1n3s h GLU 45 Ca 0.20 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 1n3s h GLU 45 Cb 0.44 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1n3s h GLU 45 CO 0.01 1.06 0.12 0.82 -1.16 0.00 0.00 179.01 179.86 1n3s h ILE 46 N 0.75 1.23 0.00 3.13 2.04 -1.26 -2.06 117.51 121.34 1n3s h ILE 46 Ca 0.08 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1n3s h ILE 46 Cb 0.86 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1n3s h ILE 46 CO 0.08 0.29 -0.31 0.24 0.00 0.00 0.00 178.15 178.44 1n3s h MET 47 N 0.60 0.00 -0.15 2.37 2.86 -1.21 -2.38 114.93 117.02 1n3s h MET 47 Ca 0.14 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.61 1n3s h MET 47 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1n3s h MET 47 CO 0.00 0.31 -0.61 1.96 1.06 0.00 0.00 176.91 179.63 1n3s h GLN 48 N 0.00 0.53 0.00 1.72 4.20 -1.12 -2.21 115.11 118.23 1n3s h GLN 48 Ca -0.00 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1n3s h GLN 48 Cb 0.55 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1n3s h GLN 48 CO 0.04 0.98 0.00 1.28 -0.67 0.00 0.00 178.83 180.46 1n3s n LEU 49 N -3.92 0.00 -0.80 1.46 4.77 -0.80 -2.16 117.00 115.55 1n3s n LEU 49 Ca -0.04 0.46 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 1n3s n LEU 49 Cb 0.64 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1n3s n LEU 49 CO 0.48 -0.09 0.61 0.18 -1.33 0.00 0.00 177.39 177.24 1n3s n LEU 50 N -1.46 2.93 -3.59 2.23 4.77 -1.02 -5.00 117.00 115.86 1n3s n LEU 50 Ca 0.07 -1.63 -0.22 0.00 -0.03 0.00 0.00 56.01 54.20 1n3s n LEU 50 Cb 0.26 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1n3s n LEU 50 CO 0.21 0.67 0.16 0.59 -1.33 0.00 0.00 177.39 177.69 1n3s n ASN 51 N 0.91 -4.35 -4.83 -1.43 3.02 -0.92 -5.02 115.26 102.65 1n3s n ASN 51 Ca 0.14 -0.62 -0.37 0.00 -0.03 0.00 0.00 54.58 53.70 1n3s n ASN 51 Cb 0.46 -4.86 -0.07 0.00 -0.61 0.00 0.00 39.78 34.70 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 -6.95 4.34 -0.45 3.41 1.43 -0.86 -5.04 118.68 114.57 1n3s s LEU 52 Ca 0.35 0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 1n3s s LEU 52 Cb -0.16 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1n3s s LEU 52 CO 0.75 0.33 1.30 -0.62 0.23 0.00 0.00 176.35 178.34 1n3s s ASP 53 N -0.58 6.44 0.00 2.29 2.15 -1.26 -4.62 116.67 121.09 1n3s s ASP 53 Ca 0.14 0.65 0.30 0.00 0.43 0.00 0.00 52.55 54.07 1n3s s ASP 53 Cb -0.12 -2.54 1.46 0.00 -0.30 0.00 0.00 42.92 41.42 1n3s s ASP 53 CO 0.03 -1.38 2.00 0.18 -0.17 0.00 0.00 175.17 175.83 1n3s n LEU 54 N 8.48 0.28 0.09 -1.34 4.77 -1.26 -3.26 117.00 124.75 1n3s n LEU 54 Ca 0.14 0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1n3s n LEU 54 Cb 0.48 -0.16 0.43 0.00 -2.33 0.00 0.00 43.42 41.84 1n3s n LEU 54 CO 0.71 0.05 0.88 0.00 -1.33 0.00 0.00 177.39 177.70 1n3s n ALA 55 N -1.00 2.32 -2.30 -1.18 0.00 -1.26 -4.10 120.51 112.99 1n3s n ALA 55 Ca 0.17 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1n3s n ALA 55 Cb 0.23 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1n3s n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n3s s ASP 56 N -4.26 7.15 0.30 0.00 2.15 -1.20 -4.93 116.67 115.88 1n3s s ASP 56 Ca 0.11 2.04 0.15 0.00 0.43 0.00 0.00 52.55 55.28 1n3s s ASP 56 Cb 0.13 -2.59 0.82 0.00 -0.30 0.00 0.00 42.92 40.99 1n3s s ASP 56 CO 0.59 -0.38 1.39 -0.90 -0.17 0.00 0.00 175.17 175.71 1n3s n ASP 57 N 3.34 0.39 -0.14 -0.34 5.75 -1.26 -1.88 116.55 122.41 1n3s n ASP 57 Ca 0.06 0.62 -0.28 0.00 -0.01 0.00 0.00 54.79 55.18 1n3s n ASP 57 Cb 0.46 -0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 39.84 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 -2.07 1.96 0.06 -1.12 2.88 -1.26 -4.49 113.62 109.58 1n3s n SER 58 Ca -0.01 0.31 0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1n3s n SER 58 Cb 0.20 -0.80 0.46 0.00 -0.75 0.00 0.00 64.21 63.32 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 -4.18 0.40 -0.15 2.46 4.77 -1.11 -3.65 117.00 115.55 1n3s n LEU 59 Ca -0.52 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1n3s n LEU 59 Cb 0.88 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1n3s n LEU 59 CO 0.06 -0.26 0.70 -0.03 -1.33 0.00 0.00 177.39 176.53 1n3s h MET 60 N 0.00 0.89 -0.01 3.23 4.05 -1.52 -3.13 114.93 118.44 1n3s h MET 60 Ca 0.00 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 1n3s h MET 60 Cb 0.47 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1n3s h MET 60 CO 0.00 1.01 -0.17 0.39 0.23 0.00 0.00 176.91 178.36 1n3s n GLU 61 N -4.23 0.87 -0.24 0.39 -0.58 -1.24 -4.34 120.64 111.27 1n3s n GLU 61 Ca -0.00 -0.44 -0.06 0.00 -0.42 0.00 0.00 57.16 56.24 1n3s n GLU 61 Cb 0.41 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.07 1.19 -0.11 2.62 2.02 -1.68 -2.32 112.91 115.70 1n3s h THR 62 Ca 0.00 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1n3s h THR 62 Cb 0.44 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1n3s h THR 62 CO 0.00 0.19 -0.17 -0.65 0.37 0.00 0.00 175.52 175.26 1n3s h PRO 63 N 0.90 0.18 -0.40 6.66 0.11 -1.78 -1.80 132.00 135.88 1n3s h PRO 63 Ca 0.24 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 1n3s h PRO 63 Cb -0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1n3s h PRO 63 CO -0.05 0.35 -0.34 1.25 -0.21 0.00 0.00 178.00 179.00 1n3s h HIS 64 N 0.17 1.09 -0.08 0.65 -0.00 -1.78 -2.52 115.15 112.68 1n3s h HIS 64 Ca 0.03 -0.31 -0.15 0.00 -0.00 0.00 0.00 60.37 59.94 1n3s h HIS 64 Cb 0.41 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1n3s h HIS 64 CO 0.00 1.13 -0.62 0.00 -0.00 0.00 0.00 177.93 178.44 1n3s h ARG 65 N 0.76 0.28 -0.05 5.26 3.08 -0.97 -1.34 114.38 121.41 1n3s h ARG 65 Ca 0.07 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.76 1n3s h ARG 65 Cb 0.93 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1n3s h ARG 65 CO 0.09 0.81 -0.69 0.82 -1.07 0.00 0.00 179.97 179.93 1n3s h ILE 66 N 0.21 1.42 -0.20 2.04 2.04 -1.34 -1.38 117.51 120.29 1n3s h ILE 66 Ca -0.01 -2.18 -0.09 0.00 1.00 0.00 0.00 64.86 63.58 1n3s h ILE 66 Cb 1.14 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1n3s h ILE 66 CO 0.10 0.64 -0.24 0.00 0.00 0.00 0.00 178.15 178.65 1n3s h ALA 67 N 1.12 0.30 -0.17 1.87 0.00 -1.34 -1.80 119.26 119.25 1n3s h ALA 67 Ca -0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1n3s h ALA 67 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1n3s h ALA 67 CO 0.11 0.27 -0.14 -0.22 0.00 0.00 0.00 179.25 179.27 1n3s h LYS 68 N 0.19 0.27 -0.10 0.00 3.64 -1.15 -1.44 116.57 117.98 1n3s h LYS 68 Ca 0.03 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1n3s h LYS 68 Cb 0.80 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1n3s h LYS 68 CO 0.06 0.41 -0.24 1.98 -2.27 0.00 0.00 179.45 179.39 1n3s h MET 69 N 0.26 0.34 -0.39 1.90 4.05 -1.16 -2.24 114.93 117.69 1n3s h MET 69 Ca 0.05 -0.23 -0.12 0.00 -0.28 0.00 0.00 59.70 59.12 1n3s h MET 69 Cb 0.40 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1n3s h MET 69 CO 0.02 0.84 -0.25 1.88 0.23 0.00 0.00 176.91 179.63 1n3s h TYR 70 N -0.11 0.92 0.09 1.39 0.05 -1.00 -1.61 116.97 116.70 1n3s h TYR 70 Ca -0.00 -0.22 -0.28 0.00 0.05 0.00 0.00 58.73 58.27 1n3s h TYR 70 Cb 0.84 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 1n3s h TYR 70 CO 0.11 0.97 -1.51 0.28 -1.05 0.00 0.00 178.16 176.96 1n3s h VAL 71 N 0.69 0.90 0.00 -2.88 2.07 -1.37 -3.38 116.25 112.28 1n3s h VAL 71 Ca 0.09 -2.32 -0.19 0.00 0.82 0.00 0.00 66.70 65.10 1n3s h VAL 71 Cb 0.78 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 33.05 1n3s h VAL 71 CO 0.06 0.65 -2.10 0.47 0.02 0.00 0.00 177.57 176.67 1n3s n ASP 72 N -3.95 0.48 0.00 0.57 8.00 -0.85 -4.81 116.55 115.99 1n3s n ASP 72 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1n3s n ASP 72 Cb 0.88 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 43.35 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 -2.46 0.00 0.22 -1.24 1.02 -0.99 -4.71 120.64 112.47 1n3s n GLU 73 Ca -0.18 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.11 1n3s n GLU 73 Cb 0.84 0.00 0.77 0.00 -0.02 0.00 0.00 31.44 33.03 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 -0.12 -3.67 3.07 -1.61 -2.86 117.51 112.32 1n3s h ILE 74 Ca 0.00 -0.07 -0.04 0.00 1.55 0.00 0.00 64.86 66.30 1n3s h ILE 74 Cb 0.00 0.77 -0.02 0.00 -0.27 0.00 0.00 36.82 37.30 1n3s h ILE 74 CO 0.00 0.00 -0.13 0.49 -1.05 0.00 0.00 178.15 177.46 1n3s n PHE 75 N -2.56 0.41 0.29 0.16 3.72 -1.25 -2.92 117.46 115.31 1n3s n PHE 75 Ca -0.01 -1.21 0.16 0.00 -0.05 0.00 0.00 57.45 56.34 1n3s n PHE 75 Cb 0.09 -0.28 0.90 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.80 0.00 0.26 4.37 4.64 -1.26 -2.62 113.55 119.75 1n3s h SER 76 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1n3s h SER 76 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1n3s h SER 76 CO 0.12 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1n3s n GLY 77 N -0.90 -0.88 0.11 -0.77 0.00 0.80 -2.92 105.19 100.62 1n3s n GLY 77 Ca -0.02 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1n3s n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 78 N 0.00 0.00 -8.11 0.99 3.38 -1.60 -3.43 115.31 106.54 1n3s h LEU 78 Ca 0.00 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 57.25 1n3s h LEU 78 Cb 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.57 1n3s h LEU 78 CO 0.00 0.02 -0.67 -0.62 0.09 0.00 0.00 178.44 177.26 1n3s s ASP 79 N -4.70 5.02 0.00 -0.43 2.15 -1.15 -4.99 116.67 112.56 1n3s s ASP 79 Ca 0.09 -1.19 0.05 0.00 0.43 0.00 0.00 52.55 51.94 1n3s s ASP 79 Cb 0.12 -1.77 0.31 0.00 -0.30 0.00 0.00 42.92 41.28 1n3s s ASP 79 CO 0.63 -0.27 0.78 -1.22 -0.17 0.00 0.00 175.17 174.91 1n3s n TYR 80 N 4.70 0.00 0.20 -5.34 4.02 -1.26 -1.35 117.16 118.13 1n3s n TYR 80 Ca -0.13 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.86 1n3s n TYR 80 Cb 0.44 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 39.99 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 2.31 0.91 -0.10 -0.72 0.00 -1.92 -2.94 119.26 116.81 1n3s h ALA 81 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n3s h ALA 81 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n3s h ALA 81 CO 0.00 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1n3s n ASN 82 N -3.17 1.52 -4.74 0.00 3.02 -0.46 -4.92 115.26 106.51 1n3s n ASN 82 Ca 0.03 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.56 1n3s n ASN 82 Cb 0.55 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.88 3.03 0.60 3.10 5.36 -1.11 -4.95 117.98 122.12 1n3s s PHE 83 Ca 0.35 0.89 -0.20 0.00 -0.96 0.00 0.00 56.93 57.01 1n3s s PHE 83 Cb 0.19 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.98 1n3s s PHE 83 CO 0.29 -2.93 1.31 -0.35 -1.46 0.00 0.00 175.22 172.09 1n3s n PRO 84 N 2.88 1.37 -2.47 10.12 -0.04 -1.26 -4.92 135.00 140.68 1n3s n PRO 84 Ca 0.09 0.52 -0.40 0.00 -0.04 0.00 0.00 63.50 63.67 1n3s n PRO 84 Cb 0.40 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 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 -3.13 3.15 0.20 0.54 1.02 -1.26 -4.91 119.74 115.34 1n3s s LYS 85 Ca 0.78 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 1n3s s LYS 85 Cb -0.40 -4.36 -0.09 0.00 -0.52 0.00 0.00 37.83 32.46 1n3s s LYS 85 CO 0.44 -2.26 1.29 0.42 -0.92 0.00 0.00 175.35 174.32 1n3s s ILE 86 N 6.20 3.27 -0.15 2.17 -1.09 -1.26 -5.02 121.20 125.32 1n3s s ILE 86 Ca 0.41 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1n3s s ILE 86 Cb -0.08 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1n3s s ILE 86 CO 0.13 0.16 -0.14 0.42 -1.23 0.00 0.00 174.94 174.27 1n3s s THR 87 N 0.07 1.61 -0.16 2.92 -4.23 -1.26 -5.09 115.64 109.50 1n3s s THR 87 Ca 0.56 -0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1n3s s THR 87 Cb -0.36 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 1n3s s THR 87 CO 0.38 0.45 -0.06 -0.76 -0.54 0.00 0.00 174.62 174.09 1n3s s LEU 88 N 1.47 3.07 -0.17 4.79 1.43 -1.26 -1.81 118.68 126.19 1n3s s LEU 88 Ca 0.05 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1n3s s LEU 88 Cb -0.13 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1n3s s LEU 88 CO -0.11 0.13 0.19 -0.63 0.23 0.00 0.00 176.35 176.17 1n3s s ILE 89 N 0.58 5.38 0.29 -0.59 1.01 0.11 -4.93 121.20 123.04 1n3s s ILE 89 Ca -0.04 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1n3s s ILE 89 Cb -0.15 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 1n3s s ILE 89 CO 0.03 0.45 1.47 -0.70 0.00 0.00 0.00 174.94 176.19 1n3s s GLU 90 N 0.20 4.21 -1.25 2.79 2.12 -1.26 -1.15 118.70 124.36 1n3s s GLU 90 Ca 0.12 2.42 -0.20 0.00 0.36 0.00 0.00 54.97 57.67 1n3s s GLU 90 Cb -0.12 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1n3s s GLU 90 CO 0.01 -0.47 1.83 -1.71 -0.54 0.00 0.00 175.26 174.38 1n3s n ASN 91 N 1.78 4.15 0.08 -1.70 2.85 -0.59 -4.59 115.26 117.24 1n3s n ASN 91 Ca 0.05 -2.83 -0.05 0.00 -0.11 0.00 0.00 54.58 51.64 1n3s n ASN 91 Cb 0.39 -1.74 -0.07 0.00 1.24 0.00 0.00 39.78 39.60 1n3s n ASN 91 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1n3s h LYS 92 N 8.44 0.00 0.00 1.20 1.57 -1.90 -3.25 116.57 122.64 1n3s h LYS 92 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1n3s h LYS 92 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1n3s h LYS 92 CO 1.37 0.91 0.00 0.52 -0.57 0.00 0.00 179.45 181.68 1n3s h MET 93 N 0.00 0.00 -3.19 3.15 2.86 -2.01 -3.47 114.93 112.28 1n3s h MET 93 Ca -0.01 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.32 1n3s h MET 93 Cb 1.66 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.29 1n3s h MET 93 CO 0.12 0.00 -0.39 1.63 1.06 0.00 0.00 176.91 179.33 1n3s n LYS 94 N -2.31 -1.92 -1.60 1.72 4.01 -1.23 -4.87 118.16 111.96 1n3s n LYS 94 Ca 0.04 0.78 -0.44 0.00 -0.51 0.00 0.00 58.31 58.18 1n3s n LYS 94 Cb 0.34 -5.36 -0.04 0.00 -0.51 0.00 0.00 35.03 29.45 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 -3.41 0.44 -0.86 -0.18 0.31 -1.26 -4.86 118.33 108.51 1n3s n VAL 95 Ca -0.18 -0.33 0.08 0.00 -0.01 0.00 0.00 64.34 63.89 1n3s n VAL 95 Cb 0.62 -2.32 0.39 0.00 -0.91 0.00 0.00 33.84 31.62 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 10.05 5.46 -4.69 4.52 5.75 -1.26 -4.49 116.55 131.89 1n3s n ASP 96 Ca 0.28 -2.84 -0.26 0.00 -0.01 0.00 0.00 54.79 51.96 1n3s n ASP 96 Cb 0.39 -0.66 -0.09 0.00 -1.03 0.00 0.00 41.12 39.74 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 -2.59 2.12 0.14 0.11 0.41 -1.26 -4.97 118.70 112.66 1n3s s GLU 97 Ca 0.53 -1.95 -0.02 0.00 -0.41 0.00 0.00 54.97 53.12 1n3s s GLU 97 Cb 0.40 -1.84 -0.05 0.00 -1.78 0.00 0.00 34.13 30.86 1n3s s GLU 97 CO 0.17 -0.09 0.34 0.00 -0.49 0.00 0.00 175.26 175.19 1n3s s MET 98 N -3.82 3.54 -0.09 1.61 0.23 -1.26 -3.97 119.30 115.53 1n3s s MET 98 Ca 0.39 -0.28 0.03 0.00 -1.03 0.00 0.00 55.69 54.80 1n3s s MET 98 Cb 0.06 -2.90 -0.01 0.00 -1.53 0.00 0.00 34.83 30.46 1n3s s MET 98 CO 0.21 0.48 -0.20 0.08 -2.03 0.00 0.00 175.02 173.56 1n3s s VAL 99 N -1.70 2.43 -0.08 5.16 1.01 -0.54 -5.01 120.40 121.67 1n3s s VAL 99 Ca 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1n3s s VAL 99 Cb -0.12 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1n3s s VAL 99 CO 0.27 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 174.96 1n3s s THR 100 N 0.13 0.89 -0.37 3.92 2.01 -1.26 -1.30 115.64 119.66 1n3s s THR 100 Ca -0.10 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 1n3s s THR 100 Cb -0.16 -0.90 0.07 0.00 0.01 0.00 0.00 72.50 71.53 1n3s s THR 100 CO 0.06 0.33 0.15 -0.69 -0.69 0.00 0.00 174.62 173.78 1n3s s VAL 101 N 1.33 3.59 0.34 3.82 1.01 0.98 -5.00 120.40 126.48 1n3s s VAL 101 Ca -0.03 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.49 1n3s s VAL 101 Cb -0.14 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1n3s s VAL 101 CO -0.03 -0.39 0.48 0.00 0.00 0.00 0.00 175.10 175.15 1n3s s ARG 102 N 1.30 3.12 -1.50 2.72 1.70 -1.26 -0.91 118.95 124.12 1n3s s ARG 102 Ca 0.02 -0.98 -0.08 0.00 -0.47 0.00 0.00 55.73 54.22 1n3s s ARG 102 Cb -0.21 -2.81 0.06 0.00 -0.57 0.00 0.00 34.95 31.42 1n3s s ARG 102 CO -0.00 0.05 0.67 -0.25 -1.08 0.00 0.00 175.30 174.68 1n3s n ASP 103 N -1.67 -2.14 -4.71 -2.89 8.00 -1.03 -4.95 116.55 107.16 1n3s n ASP 103 Ca -0.00 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 1n3s n ASP 103 Cb 0.58 -3.27 -0.03 0.00 -0.02 0.00 0.00 41.12 38.38 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 -3.61 4.22 -0.00 0.53 1.01 -0.14 -4.80 121.20 118.40 1n3s s ILE 104 Ca 0.34 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 62.27 1n3s s ILE 104 Cb -0.18 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 1n3s s ILE 104 CO 0.88 0.09 1.70 -0.89 0.00 0.00 0.00 174.94 176.73 1n3s s THR 105 N 1.33 3.33 -0.12 2.92 2.01 -1.26 -1.20 115.64 122.64 1n3s s THR 105 Ca 0.57 0.53 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1n3s s THR 105 Cb -0.27 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 68.92 1n3s s THR 105 CO 0.27 -0.03 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.80 1n3s s LEU 106 N 3.67 1.70 -0.24 4.42 0.20 -0.83 -4.75 118.68 122.86 1n3s s LEU 106 Ca 0.76 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 55.14 1n3s s LEU 106 Cb -0.37 -1.13 0.06 0.00 -0.43 0.00 0.00 46.19 44.32 1n3s s LEU 106 CO 0.32 -0.01 -0.07 0.42 -0.29 0.00 0.00 176.35 176.72 1n3s s THR 107 N 1.19 1.70 0.00 3.68 -4.23 -1.26 -1.38 115.64 115.34 1n3s s THR 107 Ca -0.02 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1n3s s THR 107 Cb -0.14 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1n3s s THR 107 CO -0.05 -0.05 0.00 -0.24 -0.54 0.00 0.00 174.62 173.74 1n3s n SER 108 N 4.62 1.26 -3.71 3.99 2.88 -0.92 -4.12 113.62 117.62 1n3s n SER 108 Ca -0.13 -0.50 -0.11 0.00 -1.33 0.00 0.00 58.87 56.79 1n3s n SER 108 Cb 0.44 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.56 -0.03 -0.02 2.46 2.01 -1.26 -2.23 115.64 116.01 1n3s s THR 109 Ca 0.00 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1n3s s THR 109 Cb 0.00 -0.49 -0.09 0.00 0.01 0.00 0.00 72.50 71.93 1n3s s THR 109 CO 0.00 0.05 2.02 0.00 -0.69 0.00 0.00 174.62 176.00 1n3s h GLU 111 N 11.31 0.00 -0.08 0.00 4.81 -1.59 0.16 114.58 129.19 1n3s h GLU 111 Ca -0.48 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 1n3s h GLU 111 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1n3s h GLU 111 CO 0.94 0.33 -0.56 0.45 -0.73 0.00 0.00 179.01 179.45 1n3s h HIS 112 N 0.00 0.31 0.00 0.92 3.86 -1.89 -3.39 115.15 114.95 1n3s h HIS 112 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1n3s h HIS 112 Cb 0.67 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1n3s h HIS 112 CO 0.00 0.75 0.00 0.43 0.86 0.00 0.00 177.93 179.97 1n3s n SER 113 N -3.91 0.01 -2.66 2.45 7.64 -1.21 -5.03 113.62 110.91 1n3s n SER 113 Ca -0.02 -1.01 -0.22 0.00 1.01 0.00 0.00 58.87 58.64 1n3s n SER 113 Cb 0.59 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.42 -4.06 1.43 3.01 0.57 -4.98 117.46 112.01 1n3s n PHE 114 Ca 0.00 0.22 -0.29 0.00 1.01 0.00 0.00 57.45 58.40 1n3s n PHE 114 Cb 0.38 -4.22 -0.06 0.00 -0.01 0.00 0.00 39.48 35.57 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 -3.11 4.51 0.33 -4.37 1.01 -1.24 -4.76 120.40 112.77 1n3s s VAL 115 Ca 0.13 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 1n3s s VAL 115 Cb -0.06 -3.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.97 1n3s s VAL 115 CO 0.16 0.03 1.22 0.41 0.00 0.00 0.00 175.10 176.91 1n3s n THR 116 N 0.12 1.99 -4.20 3.92 -1.04 -1.26 0.13 114.28 113.93 1n3s n THR 116 Ca -0.08 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.14 1n3s n THR 116 Cb 0.53 -1.41 -0.17 0.00 -1.82 0.00 0.00 70.33 67.46 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 1.46 -0.31 12.58 1.01 -0.95 -1.89 121.20 132.03 1n3s s ILE 117 Ca 0.56 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 1n3s s ILE 117 Cb -0.61 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1n3s s ILE 117 CO 0.62 0.44 0.15 -0.62 0.00 0.00 0.00 174.94 175.52 1n3s s ASP 118 N 1.29 5.56 0.28 3.58 2.15 0.17 -2.16 116.67 127.54 1n3s s ASP 118 Ca -0.00 -0.48 0.03 0.00 0.43 0.00 0.00 52.55 52.52 1n3s s ASP 118 Cb -0.14 -2.01 -0.06 0.00 -0.30 0.00 0.00 42.92 40.42 1n3s s ASP 118 CO -0.06 -0.18 0.06 -0.83 -0.17 0.00 0.00 175.17 173.99 1n3s s GLY 119 N 1.62 1.82 -0.04 2.66 0.00 -0.48 -0.38 107.32 112.52 1n3s s GLY 119 Ca 0.05 -1.92 0.01 0.00 0.00 0.00 0.00 44.72 42.86 1n3s s GLY 119 CO 0.06 -1.69 -0.05 0.54 0.00 0.00 0.00 173.10 171.97 1n3s s LYS 120 N -3.95 0.81 0.08 2.90 3.01 0.48 -1.97 119.74 121.10 1n3s s LYS 120 Ca 0.35 -0.13 0.07 0.00 -1.01 0.00 0.00 55.97 55.26 1n3s s LYS 120 Cb 0.08 -0.81 -0.04 0.00 -1.01 0.00 0.00 37.83 36.05 1n3s s LYS 120 CO 0.13 -0.05 -0.13 0.00 0.51 0.00 0.00 175.35 175.81 1n3s s ALA 121 N 0.78 2.81 -0.17 5.17 0.00 -0.34 -0.54 121.76 129.47 1n3s s ALA 121 Ca -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1n3s s ALA 121 Cb -0.13 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.21 1n3s s ALA 121 CO 0.00 0.61 -0.02 0.99 0.00 0.00 0.00 175.76 177.35 1n3s s THR 122 N -1.10 0.88 -0.09 0.00 2.01 0.69 -0.97 115.64 117.06 1n3s s THR 122 Ca 0.18 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.61 1n3s s THR 122 Cb -0.11 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1n3s s THR 122 CO 0.10 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.20 1n3s s VAL 123 N 1.72 3.00 0.02 3.82 1.01 -0.09 -1.04 120.40 128.84 1n3s s VAL 123 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1n3s s VAL 123 Cb -0.16 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1n3s s VAL 123 CO -0.07 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 1n3s s ALA 124 N -0.13 0.61 0.16 5.51 0.00 -0.19 -0.01 121.76 127.70 1n3s s ALA 124 Ca -0.01 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 1n3s s ALA 124 Cb -0.14 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1n3s s ALA 124 CO 0.03 0.08 0.58 1.52 0.00 0.00 0.00 175.76 177.97 1n3s s TYR 125 N -0.73 -0.48 -0.29 0.00 1.13 -0.42 -0.06 117.35 116.49 1n3s s TYR 125 Ca -0.03 0.25 -0.06 0.00 -1.41 0.00 0.00 57.07 55.83 1n3s s TYR 125 Cb -0.06 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.34 1n3s s TYR 125 CO 0.00 -0.85 0.05 0.42 -2.51 0.00 0.00 175.55 172.67 1n3s s ILE 126 N -3.76 3.73 0.20 -3.49 1.01 -1.02 -1.46 121.20 116.40 1n3s s ILE 126 Ca 0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.56 1n3s s ILE 126 Cb -0.01 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.42 1n3s s ILE 126 CO -0.12 0.08 1.53 -2.84 0.00 0.00 0.00 174.94 173.59 1n3s s PRO 127 N 1.46 4.22 0.00 2.79 0.02 -1.25 -4.86 135.00 137.37 1n3s s PRO 127 Ca 0.02 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1n3s s PRO 127 Cb -0.17 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1n3s s PRO 127 CO 0.01 -0.56 0.00 1.17 -0.33 0.00 0.00 177.00 177.29 1n3s n LYS 128 N 3.35 0.00 0.00 5.54 4.81 -1.26 -4.60 118.16 126.00 1n3s n LYS 128 Ca 0.11 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.63 1n3s n LYS 128 Cb 0.39 -0.02 -0.06 0.00 0.02 0.00 0.00 35.03 35.36 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 -0.78 1.10 -3.88 3.14 8.00 -1.26 -4.85 116.55 118.02 1n3s n ASP 129 Ca 0.00 -1.05 -0.11 0.00 0.71 0.00 0.00 54.79 54.34 1n3s n ASP 129 Cb 0.00 0.81 -0.11 0.00 -0.02 0.00 0.00 41.12 41.81 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 -2.36 0.02 -0.26 -2.24 1.04 -1.26 -1.54 113.70 107.10 1n3s s SER 130 Ca 0.09 -0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 1n3s s SER 130 Cb 0.13 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.50 1n3s s SER 130 CO 0.59 -0.29 -0.07 -0.69 0.98 0.00 0.00 173.24 173.76 1n3s s VAL 131 N -1.09 2.67 0.46 5.02 1.01 -0.30 -4.66 120.40 123.50 1n3s s VAL 131 Ca -0.12 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 60.39 1n3s s VAL 131 Cb -0.07 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1n3s s VAL 131 CO 0.01 0.09 1.00 -0.51 0.00 0.00 0.00 175.10 175.69 1n3s s ILE 132 N 1.25 4.02 0.26 2.22 2.07 -1.26 -0.72 121.20 129.05 1n3s s ILE 132 Ca -0.03 1.28 -0.30 0.00 -1.41 0.00 0.00 60.65 60.19 1n3s s ILE 132 Cb -0.18 -3.52 -0.10 0.00 0.13 0.00 0.00 42.46 38.79 1n3s s ILE 132 CO -0.04 -0.26 1.34 -0.83 -1.91 0.00 0.00 174.94 173.24 1n3s s GLY 133 N -2.04 2.63 0.20 1.50 0.00 -0.75 -4.91 107.32 103.95 1n3s s GLY 133 Ca 0.65 1.22 -0.13 0.00 0.00 0.00 0.00 44.72 46.47 1n3s s GLY 133 CO 0.18 2.06 1.66 1.41 0.00 0.00 0.00 173.10 178.41 1n3s h LEU 134 N 4.50 -0.33 -1.90 0.66 3.38 -1.94 -2.36 115.31 117.31 1n3s h LEU 134 Ca -0.47 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1n3s h LEU 134 Cb 1.22 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1n3s h LEU 134 CO 0.73 -0.13 -0.11 0.77 0.09 0.00 0.00 178.44 179.79 1n3s h SER 135 N 0.08 0.00 0.20 -0.43 4.64 -2.01 -2.46 113.55 113.57 1n3s h SER 135 Ca 0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 1n3s h SER 135 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1n3s h SER 135 CO -0.52 0.11 -0.19 0.11 -0.87 0.00 0.00 176.83 175.47 1n3s h LYS 136 N 0.00 0.00 -0.17 4.77 1.79 -1.81 0.12 116.57 121.26 1n3s h LYS 136 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1n3s h LYS 136 Cb 0.21 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1n3s h LYS 136 CO 0.01 0.19 -0.08 0.82 -1.08 0.00 0.00 179.45 179.31 1n3s h ILE 137 N 0.00 1.31 -0.42 1.86 2.04 -1.52 0.08 117.51 120.87 1n3s h ILE 137 Ca -0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1n3s h ILE 137 Cb 0.34 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1n3s h ILE 137 CO 0.02 0.34 0.27 0.78 0.00 0.00 0.00 178.15 179.56 1n3s h ASN 138 N 0.03 0.49 0.30 1.72 2.35 -1.44 -1.88 115.58 117.15 1n3s h ASN 138 Ca 0.04 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1n3s h ASN 138 Cb 0.56 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1n3s h ASN 138 CO 0.03 0.38 -0.31 0.03 -1.65 0.00 0.00 177.43 175.90 1n3s h ARG 139 N 0.56 0.02 -0.07 0.81 3.08 -0.85 -1.79 114.38 116.14 1n3s h ARG 139 Ca 0.15 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 1n3s h ARG 139 Cb -0.04 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1n3s h ARG 139 CO -0.03 0.33 -0.76 0.82 -1.07 0.00 0.00 179.97 179.26 1n3s h ILE 140 N 0.02 1.32 -0.37 2.04 2.04 -0.61 -1.77 117.51 120.19 1n3s h ILE 140 Ca 0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.82 1n3s h ILE 140 Cb 0.56 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1n3s h ILE 140 CO 0.04 0.62 0.20 0.58 0.00 0.00 0.00 178.15 179.59 1n3s h VAL 141 N 0.29 1.14 0.00 1.67 2.07 -1.00 -2.65 116.25 117.77 1n3s h VAL 141 Ca -0.07 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1n3s h VAL 141 Cb 1.41 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1n3s h VAL 141 CO 0.15 0.15 -0.36 1.56 0.02 0.00 0.00 177.57 179.09 1n3s h GLN 142 N 0.46 0.00 0.03 1.57 1.08 -1.36 -0.63 115.11 116.27 1n3s h GLN 142 Ca 0.13 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1n3s h GLN 142 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1n3s h GLN 142 CO -0.02 0.36 -0.02 0.35 -0.95 0.00 0.00 178.83 178.55 1n3s h PHE 143 N 0.00 -0.04 0.00 2.96 3.57 -0.98 -1.14 116.94 121.30 1n3s h PHE 143 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1n3s h PHE 143 Cb 0.73 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1n3s h PHE 143 CO 0.00 0.23 -0.13 0.74 -2.23 0.00 0.00 178.31 176.92 1n3s h PHE 144 N -0.31 0.00 0.02 0.41 0.04 -1.34 -3.08 116.94 112.68 1n3s h PHE 144 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.54 1n3s h PHE 144 Cb 0.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1n3s h PHE 144 CO 0.02 0.13 -0.96 0.00 -0.60 0.00 0.00 178.31 176.90 1n3s h ALA 145 N 1.87 0.38 0.00 2.45 0.00 -0.87 -3.37 119.26 119.71 1n3s h ALA 145 Ca -0.00 -0.74 -0.61 0.00 0.00 0.00 0.00 54.91 53.55 1n3s h ALA 145 Cb 0.75 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n3s h ALA 145 CO 0.02 0.87 3.33 1.04 0.00 0.00 0.00 179.25 184.51 1n3s n GLN 146 N -3.68 3.01 -3.55 0.00 1.13 -0.45 -4.28 117.38 109.55 1n3s n GLN 146 Ca -0.06 -2.09 -0.07 0.00 -1.94 0.00 0.00 57.00 52.84 1n3s n GLN 146 Cb 0.85 -2.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.35 1n3s n GLN 146 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1n3s s ARG 147 N 2.87 0.77 -0.51 -1.09 1.70 -1.15 -0.14 118.95 121.41 1n3s s ARG 147 Ca 0.58 -0.32 -0.26 0.00 -0.47 0.00 0.00 55.73 55.26 1n3s s ARG 147 Cb 0.15 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 1n3s s ARG 147 CO -0.05 -0.34 2.16 -2.14 -1.08 0.00 0.00 175.30 173.86 1n3s s PRO 148 N -3.00 2.42 0.33 3.89 0.02 -1.26 -4.15 135.00 133.25 1n3s s PRO 148 Ca 0.07 1.16 0.07 0.00 0.02 0.00 0.00 61.00 62.32 1n3s s PRO 148 Cb -0.01 -4.48 -0.02 0.00 0.02 0.00 0.00 34.50 30.01 1n3s s PRO 148 CO -0.07 -2.93 0.36 -0.65 -0.33 0.00 0.00 177.00 173.38 1n3s s GLN 149 N 7.55 2.92 -0.15 5.54 -1.52 -0.35 -4.64 119.66 129.01 1n3s s GLN 149 Ca 0.86 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 1n3s s GLN 149 Cb -0.17 -2.63 0.03 0.00 -0.22 0.00 0.00 33.01 30.02 1n3s s GLN 149 CO 0.25 0.12 -0.12 0.08 -0.25 0.00 0.00 175.29 175.37 1n3s s VAL 150 N -2.23 1.46 0.34 1.09 1.01 -1.26 -1.71 120.40 119.10 1n3s s VAL 150 Ca 0.42 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.90 1n3s s VAL 150 Cb -0.07 -1.41 0.33 0.00 0.00 0.00 0.00 36.38 35.23 1n3s s VAL 150 CO 0.28 0.40 1.78 -0.61 0.00 0.00 0.00 175.10 176.96 1n3s h GLN 151 N 8.07 0.58 -0.02 2.72 4.15 -1.99 0.35 115.11 128.97 1n3s h GLN 151 Ca -0.35 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 58.92 1n3s h GLN 151 Cb 1.13 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1n3s h GLN 151 CO 0.50 0.39 -0.50 0.93 -1.93 0.00 0.00 178.83 178.21 1n3s h GLU 152 N 0.60 0.05 0.04 1.69 3.07 -1.97 -1.84 114.58 116.23 1n3s h GLU 152 Ca 0.57 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.30 1n3s h GLU 152 Cb 1.12 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1n3s h GLU 152 CO -0.34 0.54 -0.47 -0.09 -1.40 0.00 0.00 179.01 177.24 1n3s h ARG 153 N 0.04 0.24 -0.51 2.33 2.43 -1.66 -3.21 114.38 114.04 1n3s h ARG 153 Ca -0.00 -0.32 0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1n3s h ARG 153 Cb 0.90 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 1n3s h ARG 153 CO 0.07 1.08 0.15 1.25 -1.51 0.00 0.00 179.97 181.00 1n3s h LEU 154 N -0.45 0.11 -0.82 3.80 5.85 -0.88 -0.30 115.31 122.63 1n3s h LEU 154 Ca -0.07 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1n3s h LEU 154 Cb 1.28 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 1n3s h LEU 154 CO 0.09 0.09 0.49 0.74 -0.34 0.00 0.00 178.44 179.51 1n3s h THR 155 N 0.31 1.01 -0.01 1.05 2.02 -1.43 -2.01 112.91 113.86 1n3s h THR 155 Ca 0.25 -0.31 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 1n3s h THR 155 Cb 0.31 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1n3s h THR 155 CO -0.29 0.16 -0.95 1.56 0.37 0.00 0.00 175.52 176.37 1n3s h GLN 156 N 0.89 0.49 -0.80 6.66 1.08 -1.36 -2.23 115.11 119.84 1n3s h GLN 156 Ca 0.36 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1n3s h GLN 156 Cb 0.20 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1n3s h GLN 156 CO -0.18 1.16 0.51 1.96 -0.95 0.00 0.00 178.83 181.33 1n3s h GLN 157 N 0.28 1.06 -0.13 1.46 4.20 -0.68 0.12 115.11 121.42 1n3s h GLN 157 Ca -0.09 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1n3s h GLN 157 Cb 1.59 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1n3s h GLN 157 CO 0.17 0.71 -0.21 0.82 -0.67 0.00 0.00 178.83 179.65 1n3s h ILE 158 N 1.09 1.37 0.52 2.54 2.04 -1.34 -2.17 117.51 121.56 1n3s h ILE 158 Ca 0.29 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1n3s h ILE 158 Cb -0.10 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1n3s h ILE 158 CO -0.06 0.43 -0.43 0.25 0.00 0.00 0.00 178.15 178.33 1n3s h LEU 159 N -0.03 -1.15 -0.70 1.44 5.85 -0.76 -1.15 115.31 118.80 1n3s h LEU 159 Ca 0.01 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1n3s h LEU 159 Cb 0.78 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1n3s h LEU 159 CO 0.05 -0.61 0.42 0.40 -0.34 0.00 0.00 178.44 178.35 1n3s h ILE 160 N -0.94 1.03 -0.54 4.05 1.08 -1.09 0.13 117.51 121.23 1n3s h ILE 160 Ca -0.06 -0.27 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 1n3s h ILE 160 Cb 0.80 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 1n3s h ILE 160 CO -0.01 0.14 0.28 0.00 -0.69 0.00 0.00 178.15 177.87 1n3s h ALA 161 N 1.33 0.69 -0.00 1.87 0.00 -1.12 0.49 119.26 122.52 1n3s h ALA 161 Ca 0.30 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 1n3s h ALA 161 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n3s h ALA 161 CO -0.15 -0.06 -0.78 -0.07 0.00 0.00 0.00 179.25 178.19 1n3s h LEU 162 N 0.54 0.04 -0.74 0.00 3.38 -0.71 -2.44 115.31 115.38 1n3s h LEU 162 Ca 0.24 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1n3s h LEU 162 Cb 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1n3s h LEU 162 CO -0.16 0.81 -0.30 1.56 0.09 0.00 0.00 178.44 180.44 1n3s h GLN 163 N 0.02 0.63 0.12 1.13 4.20 0.04 -2.21 115.11 119.04 1n3s h GLN 163 Ca -0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1n3s h GLN 163 Cb 1.38 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1n3s h GLN 163 CO 0.10 0.85 -0.06 1.15 -0.67 0.00 0.00 178.83 180.21 1n3s h THR 164 N 0.54 1.06 -0.16 -0.54 2.02 -0.90 -2.30 112.91 112.63 1n3s h THR 164 Ca 0.07 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 1n3s h THR 164 Cb 0.78 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1n3s h THR 164 CO 0.06 0.25 -0.14 -0.07 0.37 0.00 0.00 175.52 175.99 1n3s h LEU 165 N -0.71 0.25 0.00 2.58 3.38 -1.45 -3.03 115.31 116.33 1n3s h LEU 165 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n3s h LEU 165 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1n3s h LEU 165 CO 0.03 0.41 -0.87 0.18 0.09 0.00 0.00 178.44 178.28 1n3s n LEU 166 N -4.26 0.67 -1.25 1.67 4.77 -0.83 -4.97 117.00 112.80 1n3s n LEU 166 Ca -0.01 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1n3s n LEU 166 Cb 0.28 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1n3s n LEU 166 CO 0.38 -0.04 -0.14 0.61 -1.33 0.00 0.00 177.39 176.87 1n3s n GLY 167 N 1.32 0.36 3.10 -0.72 0.00 -0.89 -4.50 105.19 103.86 1n3s n GLY 167 Ca 0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.56 0.54 -0.29 2.61 2.01 -1.05 -4.92 115.64 111.98 1n3s s THR 168 Ca 0.00 -1.45 0.23 0.00 0.31 0.00 0.00 61.69 60.77 1n3s s THR 168 Cb 0.00 -1.07 -0.09 0.00 0.01 0.00 0.00 72.50 71.36 1n3s s THR 168 CO 0.00 -0.63 0.94 0.59 -0.69 0.00 0.00 174.62 174.83 1n3s n ASN 169 N 0.79 0.63 -3.91 3.53 3.02 -1.26 -4.42 115.26 113.63 1n3s n ASN 169 Ca -0.18 0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.13 1n3s n ASN 169 Cb 0.58 0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 40.50 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 -2.43 2.85 -3.93 6.41 3.02 -1.26 -2.32 115.26 117.61 1n3s n ASN 170 Ca -0.00 -2.71 -0.11 0.00 -0.03 0.00 0.00 54.58 51.74 1n3s n ASN 170 Cb 0.53 -1.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.24 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 6.38 0.07 -0.05 2.41 1.01 -1.25 -2.44 120.40 126.53 1n3s s VAL 171 Ca 0.59 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1n3s s VAL 171 Cb 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.36 1n3s s VAL 171 CO 0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 175.10 174.93 1n3s s ALA 172 N -0.70 0.71 -0.08 5.51 0.00 0.92 -1.24 121.76 126.88 1n3s s ALA 172 Ca -0.08 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1n3s s ALA 172 Cb -0.05 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1n3s s ALA 172 CO -0.00 -0.04 -0.17 0.08 0.00 0.00 0.00 175.76 175.63 1n3s s VAL 173 N 0.96 1.49 -0.06 0.00 1.01 0.56 -1.03 120.40 123.33 1n3s s VAL 173 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1n3s s VAL 173 Cb -0.14 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1n3s s VAL 173 CO -0.00 0.43 -0.04 -0.55 0.00 0.00 0.00 175.10 174.94 1n3s s SER 174 N 0.59 1.38 -0.16 3.32 0.15 -0.21 0.76 113.70 119.54 1n3s s SER 174 Ca -0.15 -0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.35 1n3s s SER 174 Cb -0.16 -0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 63.62 1n3s s SER 174 CO 0.05 -0.10 -0.14 -0.63 1.20 0.00 0.00 173.24 173.61 1n3s s ILE 175 N 1.35 2.76 -0.27 6.45 1.01 -0.08 -0.22 121.20 132.20 1n3s s ILE 175 Ca -0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1n3s s ILE 175 Cb -0.13 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.16 1n3s s ILE 175 CO -0.03 0.51 0.05 -0.62 0.00 0.00 0.00 174.94 174.85 1n3s s ASP 176 N 0.82 4.95 0.03 3.58 2.15 0.30 -1.12 116.67 127.38 1n3s s ASP 176 Ca -0.05 -0.55 -0.02 0.00 0.43 0.00 0.00 52.55 52.35 1n3s s ASP 176 Cb -0.15 -1.86 -0.02 0.00 -0.30 0.00 0.00 42.92 40.59 1n3s s ASP 176 CO 0.00 -0.13 0.02 0.00 -0.17 0.00 0.00 175.17 174.89 1n3s s ALA 177 N 1.51 0.13 -0.22 3.66 0.00 0.42 -0.39 121.76 126.87 1n3s s ALA 177 Ca 0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1n3s s ALA 177 Cb -0.16 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 1n3s s ALA 177 CO 0.01 -0.26 -0.06 0.08 0.00 0.00 0.00 175.76 175.53 1n3s s VAL 178 N -2.42 3.23 -0.24 0.00 1.01 0.48 -0.91 120.40 121.55 1n3s s VAL 178 Ca -0.07 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1n3s s VAL 178 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1n3s s VAL 178 CO -0.04 0.42 0.34 -1.00 0.00 0.00 0.00 175.10 174.81 1n3s s HIS 179 N 1.45 3.30 -1.52 5.22 3.76 -1.26 -0.66 115.29 125.58 1n3s s HIS 179 Ca 0.05 0.44 0.24 0.00 -0.15 0.00 0.00 55.06 55.64 1n3s s HIS 179 Cb -0.14 -2.49 1.22 0.00 1.11 0.00 0.00 32.58 32.28 1n3s s HIS 179 CO -0.04 -0.10 1.78 0.66 -0.85 0.00 0.00 174.74 176.19 1n3s n TYR 180 N 4.84 0.00 0.92 1.40 4.02 -0.79 -1.77 117.16 125.77 1n3s n TYR 180 Ca -0.10 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.92 1n3s n TYR 180 Cb 0.51 -0.24 0.46 0.00 -0.02 0.00 0.00 39.34 40.05 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 -1.65 0.77 -0.08 0.00 0.31 -0.79 -4.49 118.33 112.39 1n3s n VAL 182 Ca 0.06 -0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 63.89 1n3s n VAL 182 Cb 0.36 -0.89 -0.11 0.00 -0.91 0.00 0.00 33.84 32.29 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 0.00 0.00 -0.64 5.55 3.64 -1.44 0.78 116.57 124.46 1n3s h LYS 183 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1n3s h LYS 183 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1n3s h LYS 183 CO -0.02 0.87 0.00 0.00 -2.27 0.00 0.00 179.45 178.03 1n3s n ALA 184 N -2.87 3.19 -3.62 5.00 0.00 -1.02 -3.64 120.51 117.54 1n3s n ALA 184 Ca -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 53.44 51.77 1n3s n ALA 184 Cb 0.48 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.97 0.71 6.77 0.00 3.52 -1.25 -4.99 118.95 121.73 1n3s s ARG 185 Ca 0.47 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 1n3s s ARG 185 Cb 0.31 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.98 1n3s s ARG 185 CO 0.21 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1n3s n GLY 186 N -0.34 2.27 0.27 8.12 0.00 -1.26 -1.84 105.19 112.41 1n3s n GLY 186 Ca -0.06 0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.14 -0.61 6.09 -1.86 -3.47 117.51 111.52 1n3s h ILE 187 Ca 0.00 -0.54 -0.42 0.00 -1.37 0.00 0.00 64.86 62.53 1n3s h ILE 187 Cb 0.00 1.54 0.09 0.00 0.47 0.00 0.00 36.82 38.92 1n3s h ILE 187 CO 0.00 0.00 -0.92 0.54 -3.07 0.00 0.00 178.15 174.70 1n3s n ARG 188 N -3.08 -1.91 -2.97 2.19 1.74 -0.77 -4.94 116.66 106.92 1n3s n ARG 188 Ca 0.01 0.52 -0.44 0.00 -0.77 0.00 0.00 57.85 57.17 1n3s n ARG 188 Cb 0.32 -4.46 -0.04 0.00 -1.02 0.00 0.00 32.46 27.25 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 -3.63 6.20 0.31 0.55 -1.08 0.25 -4.91 116.67 114.35 1n3s s ASP 189 Ca 0.38 -1.02 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 1n3s s ASP 189 Cb -0.12 -2.37 0.97 0.00 -1.46 0.00 0.00 42.92 39.94 1n3s s ASP 189 CO 0.84 -1.25 1.77 0.00 0.52 0.00 0.00 175.17 177.05 1n3s h ALA 190 N 9.35 1.00 0.00 3.66 0.00 -1.85 -3.32 119.26 128.09 1n3s h ALA 190 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n3s h ALA 190 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1n3s h ALA 190 CO 1.12 0.00 -1.21 0.25 0.00 0.00 0.00 179.25 179.41 1n3s n THR 191 N -2.44 0.00 -1.95 0.00 -2.24 -1.26 -5.05 114.28 101.34 1n3s n THR 191 Ca 0.03 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1n3s n THR 191 Cb 0.31 0.44 0.03 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.77 5.36 -0.07 3.42 1.04 -1.25 -5.06 113.70 114.37 1n3s s SER 192 Ca -0.02 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.35 1n3s s SER 192 Cb 0.06 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.64 1n3s s SER 192 CO 0.36 -1.46 0.27 0.00 0.98 0.00 0.00 173.24 173.39 1n3s s ALA 193 N -2.16 -0.67 -0.19 5.32 0.00 -1.26 -4.85 121.76 117.95 1n3s s ALA 193 Ca 0.69 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 1n3s s ALA 193 Cb -0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1n3s s ALA 193 CO 0.36 -0.17 -0.02 0.99 0.00 0.00 0.00 175.76 176.92 1n3s s THR 194 N -0.37 3.82 -0.19 0.00 2.01 -0.09 -4.96 115.64 115.87 1n3s s THR 194 Ca -0.05 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1n3s s THR 194 Cb -0.03 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1n3s s THR 194 CO 0.01 0.44 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.44 1n3s s THR 195 N 0.94 3.50 -0.20 -0.82 2.01 -1.26 -0.44 115.64 119.38 1n3s s THR 195 Ca 0.01 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1n3s s THR 195 Cb -0.14 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.83 1n3s s THR 195 CO 0.01 0.46 -0.17 0.42 -0.69 0.00 0.00 174.62 174.65 1n3s s THR 196 N 0.98 2.13 -0.12 -0.82 -4.23 -0.28 -4.98 115.64 108.32 1n3s s THR 196 Ca 0.00 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1n3s s THR 196 Cb -0.15 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1n3s s THR 196 CO 0.01 0.41 -0.21 0.28 -0.54 0.00 0.00 174.62 174.57 1n3s s THR 197 N 1.26 2.28 -0.23 3.99 -1.32 -1.26 -0.90 115.64 119.46 1n3s s THR 197 Ca 0.02 -0.92 -0.02 0.00 -1.21 0.00 0.00 61.69 59.55 1n3s s THR 197 Cb -0.15 -1.91 0.01 0.00 -1.51 0.00 0.00 72.50 68.95 1n3s s THR 197 CO -0.11 0.55 -0.07 -0.44 -2.21 0.00 0.00 174.62 172.33 1n3s s SER 198 N 0.53 4.11 -0.14 8.08 0.01 0.23 -4.99 113.70 121.53 1n3s s SER 198 Ca -0.13 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 1n3s s SER 198 Cb -0.17 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 1n3s s SER 198 CO 0.05 -0.06 -0.08 -0.76 0.41 0.00 0.00 173.24 172.80 1n3s s LEU 199 N 1.39 3.03 0.19 2.44 1.43 -1.26 -0.32 118.68 125.57 1n3s s LEU 199 Ca 0.04 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1n3s s LEU 199 Cb -0.15 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1n3s s LEU 199 CO -0.05 0.18 -0.16 -0.83 0.23 0.00 0.00 176.35 175.71 1n3s s GLY 200 N 0.31 1.41 0.00 -3.19 0.00 -0.37 -4.53 107.32 100.94 1n3s s GLY 200 Ca -0.06 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.07 1n3s s GLY 200 CO 0.04 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1n3s n GLY 201 N -0.11 3.42 0.29 0.20 0.00 -0.98 -1.65 105.19 106.36 1n3s n GLY 201 Ca -0.10 0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.17 0.99 3.38 -1.90 0.10 115.31 117.70 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 0.05 0.00 0.49 0.09 0.00 0.00 178.44 179.07 1n3s n PHE 203 N -3.43 0.59 0.00 1.13 3.72 -0.66 -3.34 117.46 115.48 1n3s n PHE 203 Ca -0.02 0.19 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 1n3s n PHE 203 Cb 0.18 -0.81 -0.00 0.00 -0.94 0.00 0.00 39.48 37.91 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 -2.00 0.03 0.36 -1.08 4.81 -0.16 -4.06 118.16 116.06 1n3s n LYS 204 Ca 0.05 0.01 -0.17 0.00 -0.87 0.00 0.00 58.31 57.33 1n3s n LYS 204 Cb 0.33 -0.29 -0.09 0.00 0.02 0.00 0.00 35.03 35.01 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 -0.06 -1.13 -3.23 3.14 4.64 -1.08 -3.43 113.55 112.41 1n3s h SER 205 Ca 0.00 0.07 -0.53 0.00 -0.47 0.00 0.00 61.79 60.86 1n3s h SER 205 Cb 0.06 0.34 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1n3s h SER 205 CO 0.00 -0.65 0.61 -0.55 -0.87 0.00 0.00 176.83 175.37 1n3s s SER 206 N -3.93 7.00 0.40 4.97 0.15 -1.21 -4.95 113.70 116.13 1n3s s SER 206 Ca -0.17 2.18 0.22 0.00 0.70 0.00 0.00 55.95 58.88 1n3s s SER 206 Cb 0.03 -2.59 0.74 0.00 -1.71 0.00 0.00 66.02 62.49 1n3s s SER 206 CO 0.53 -0.50 1.75 -0.61 1.20 0.00 0.00 173.24 175.61 1n3s h GLN 207 N 6.29 0.00 0.51 5.44 5.75 -1.82 -3.26 115.11 128.01 1n3s h GLN 207 Ca -0.43 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.05 1n3s h GLN 207 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1n3s h GLN 207 CO 0.81 0.29 -0.24 -0.97 -2.65 0.00 0.00 178.83 176.06 1n3s h ASN 208 N 0.00 -0.58 0.19 -0.69 -1.24 -1.93 -3.29 115.58 108.04 1n3s h ASN 208 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1n3s h ASN 208 Cb 0.87 0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1n3s h ASN 208 CO 0.04 -0.22 0.00 0.71 -1.29 0.00 0.00 177.43 176.67 1n3s h THR 209 N -1.08 0.00 -0.26 -3.57 1.35 -1.72 -2.55 112.91 105.07 1n3s h THR 209 Ca -0.07 -0.08 -0.15 0.00 -0.55 0.00 0.00 66.41 65.56 1n3s h THR 209 Cb 0.52 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1n3s h THR 209 CO 0.11 0.00 -0.44 -0.09 -0.25 0.00 0.00 175.52 174.86 1n3s h ARG 210 N 0.00 0.76 -0.00 4.72 2.43 -1.63 -3.11 114.38 117.55 1n3s h ARG 210 Ca 0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1n3s h ARG 210 Cb 0.10 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1n3s h ARG 210 CO 0.00 1.09 -0.20 0.72 -1.51 0.00 0.00 179.97 180.08 1n3s n HIS 211 N -4.14 0.00 0.07 2.20 8.25 -0.98 -3.08 115.22 117.54 1n3s n HIS 211 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 1n3s n HIS 211 Cb 0.56 -0.26 -0.13 0.00 1.12 0.00 0.00 29.99 31.29 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 0.37 0.07 0.00 -0.41 5.08 -1.45 -3.29 114.58 114.96 1n3s h GLU 212 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1n3s h GLU 212 Cb 0.44 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1n3s h GLU 212 CO 0.00 1.05 -0.30 0.35 -1.00 0.00 0.00 179.01 179.11 1n3s h PHE 213 N 0.02 0.00 0.00 4.33 3.57 -1.60 -3.35 116.94 119.91 1n3s h PHE 213 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1n3s h PHE 213 Cb 1.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.57 1n3s h PHE 213 CO 0.02 0.00 0.41 -0.07 -2.23 0.00 0.00 178.31 176.44 1n3s h LEU 214 N -0.88 0.00 0.10 0.59 3.38 -1.73 0.12 115.31 116.89 1n3s h LEU 214 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1n3s h LEU 214 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1n3s h LEU 214 CO 0.00 0.00 -1.42 -0.09 0.09 0.00 0.00 178.44 177.02 1n3s h ARG 215 N 0.00 0.21 -0.48 1.13 2.43 -1.77 -3.34 114.38 112.57 1n3s h ARG 215 Ca 0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1n3s h ARG 215 Cb 0.82 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1n3s h ARG 215 CO 0.00 1.17 0.00 0.00 -1.51 0.00 0.00 179.97 179.63 1n3s n ALA 216 N -3.01 2.55 -2.82 2.80 0.00 0.34 -4.78 120.51 115.59 1n3s n ALA 216 Ca -0.26 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1n3s n ALA 216 Cb 0.88 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.57 5.32 -0.11 0.00 1.01 -0.76 -4.75 120.40 119.54 1n3s s VAL 217 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1n3s s VAL 217 Cb 0.03 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1n3s s VAL 217 CO 0.02 0.17 0.13 -1.14 0.00 0.00 0.00 175.10 174.29 1n3s n ARG 218 N 0.45 -0.43 -4.85 2.72 0.00 -1.26 -5.01 116.66 108.28 1n3s n ARG 218 Ca -0.06 0.80 -0.30 0.00 -0.00 0.00 0.00 57.85 58.29 1n3s n ARG 218 Cb 0.52 -2.39 -0.15 0.00 0.00 0.00 0.00 32.46 30.44 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 -1.85 2.31 -0.25 -0.14 3.76 -1.26 -5.12 115.29 112.72 1n3s s HIS 219 Ca 0.04 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1n3s s HIS 219 Cb -0.01 -1.37 0.04 0.00 1.11 0.00 0.00 32.58 32.35 1n3s s HIS 219 CO 0.16 0.14 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.53 1n3s s HIS 220 N -0.83 3.14 0.00 1.40 2.46 -1.26 -4.90 115.29 115.29 1n3s s HIS 220 Ca 0.12 -1.92 0.00 0.00 0.47 0.00 0.00 55.06 53.73 1n3s s HIS 220 Cb -0.10 -2.00 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 1n3s s HIS 220 CO 0.02 -0.81 0.00 0.09 -2.47 0.00 0.00 174.74 171.57