#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 -4.06 2.46 4.77 -1.26 -4.93 117.00 113.98 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 -0.37 -0.94 -1.33 0.00 0.00 177.39 174.75 1n3s s SER 4 N 1.00 0.50 0.11 -1.43 1.04 -1.26 -5.08 113.70 108.58 1n3s s SER 4 Ca 0.00 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 1n3s s SER 4 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1n3s s SER 4 CO 0.00 -0.46 1.55 0.11 0.98 0.00 0.00 173.24 175.43 1n3s h LYS 5 N 3.74 0.61 -0.41 4.02 1.57 -2.00 -2.07 116.57 122.04 1n3s h LYS 5 Ca -0.34 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.13 1n3s h LYS 5 Cb 1.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1n3s h LYS 5 CO 0.56 0.73 -0.23 0.93 -0.57 0.00 0.00 179.45 180.86 1n3s h GLU 6 N 0.42 0.82 -0.12 3.15 3.07 -1.98 -2.47 114.58 117.47 1n3s h GLU 6 Ca 0.10 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.52 1n3s h GLU 6 Cb 0.45 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1n3s h GLU 6 CO 0.02 0.97 -0.37 0.00 -1.40 0.00 0.00 179.01 178.22 1n3s h ALA 7 N 1.02 1.15 -0.20 3.43 0.00 -1.90 -2.78 119.26 119.98 1n3s h ALA 7 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1n3s h ALA 7 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1n3s h ALA 7 CO 0.06 0.56 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 1n3s h ALA 8 N 1.40 0.30 -0.71 0.00 0.00 -1.19 -2.07 119.26 116.99 1n3s h ALA 8 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1n3s h ALA 8 Cb 0.76 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1n3s h ALA 8 CO 0.06 0.35 0.27 -0.07 0.00 0.00 0.00 179.25 179.86 1n3s h LEU 9 N 0.24 1.00 -0.20 0.00 3.38 -1.37 -0.98 115.31 117.37 1n3s h LEU 9 Ca 0.01 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1n3s h LEU 9 Cb 0.92 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1n3s h LEU 9 CO 0.08 0.91 -0.18 0.58 0.09 0.00 0.00 178.44 179.92 1n3s h VAL 10 N 1.03 1.33 0.15 1.22 2.07 -1.54 -1.72 116.25 118.79 1n3s h VAL 10 Ca 0.24 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1n3s h VAL 10 Cb 0.24 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1n3s h VAL 10 CO -0.02 0.40 -0.27 -0.74 0.02 0.00 0.00 177.57 176.97 1n3s h HIS 11 N 0.15 -0.71 -1.00 1.57 -0.00 -1.18 -0.27 115.15 113.71 1n3s h HIS 11 Ca 0.04 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1n3s h HIS 11 Cb 0.71 0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 28.36 1n3s h HIS 11 CO 0.08 -0.37 0.66 0.93 -0.00 0.00 0.00 177.93 179.22 1n3s h GLU 12 N -0.50 1.30 -0.69 5.26 5.08 -1.21 -0.64 114.58 123.18 1n3s h GLU 12 Ca 0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1n3s h GLU 12 Cb 0.51 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1n3s h GLU 12 CO -0.13 0.86 0.19 0.00 -1.00 0.00 0.00 179.01 178.92 1n3s h ALA 13 N 1.39 1.03 -0.06 3.43 0.00 -0.80 -1.59 119.26 122.66 1n3s h ALA 13 Ca 0.37 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 1n3s h ALA 13 Cb -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.41 1n3s h ALA 13 CO -0.09 0.64 -0.90 -0.07 0.00 0.00 0.00 179.25 178.84 1n3s h LEU 14 N 1.03 0.78 -0.99 0.00 3.38 -0.49 -3.14 115.31 115.87 1n3s h LEU 14 Ca 0.22 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1n3s h LEU 14 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1n3s h LEU 14 CO -0.00 1.36 0.26 0.58 0.09 0.00 0.00 178.44 180.73 1n3s h VAL 15 N 0.39 1.23 0.00 1.22 2.07 -0.97 0.55 116.25 120.74 1n3s h VAL 15 Ca -0.08 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1n3s h VAL 15 Cb 1.53 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1n3s h VAL 15 CO 0.17 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 178.04 1n3s h ALA 16 N 1.31 1.02 -0.01 1.67 0.00 -1.28 -2.44 119.26 119.53 1n3s h ALA 16 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1n3s h ALA 16 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n3s h ALA 16 CO -0.02 0.02 -0.54 0.54 0.00 0.00 0.00 179.25 179.26 1n3s n ARG 17 N -3.13 1.62 -2.20 0.00 3.00 -0.76 -4.99 116.66 110.20 1n3s n ARG 17 Ca -0.01 -0.47 -0.06 0.00 -0.01 0.00 0.00 57.85 57.30 1n3s n ARG 17 Cb 0.24 -1.29 0.00 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 1.28 0.16 0.29 -0.13 0.00 -0.37 -4.95 105.19 101.48 1n3s n GLY 18 Ca 0.05 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 1.51 -4.66 0.99 4.77 0.04 -4.95 117.00 113.70 1n3s n LEU 19 Ca -0.06 -0.68 -0.43 0.00 -0.03 0.00 0.00 56.01 54.81 1n3s n LEU 19 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1n3s n LEU 19 CO 0.10 0.30 1.24 -0.70 -1.33 0.00 0.00 177.39 177.00 1n3s s GLU 20 N -2.36 4.18 0.08 3.23 2.56 -1.24 -4.93 118.70 120.22 1n3s s GLU 20 Ca 0.13 1.91 -0.29 0.00 0.00 0.00 0.00 54.97 56.71 1n3s s GLU 20 Cb 0.15 -3.89 -0.16 0.00 2.00 0.00 0.00 34.13 32.23 1n3s s GLU 20 CO 0.57 -0.81 0.69 2.41 -0.56 0.00 0.00 175.26 177.56 1n3s n THR 21 N 5.49 0.82 -1.52 -1.70 -1.04 -1.26 -4.66 114.28 110.41 1n3s n THR 21 Ca 0.16 -0.20 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 1n3s n THR 21 Cb 0.44 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.78 1n3s n THR 21 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1n3s n PRO 22 N 1.08 0.21 -5.04 -2.82 -0.04 -1.26 -4.91 135.00 122.21 1n3s n PRO 22 Ca 0.16 -0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 63.10 1n3s n PRO 22 Cb 0.14 -1.95 -0.16 0.00 -0.04 0.00 0.00 33.50 31.49 1n3s n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n3s s LEU 23 N 5.88 1.99 0.47 1.53 1.43 -1.26 -5.16 118.68 123.55 1n3s s LEU 23 Ca 1.20 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1n3s s LEU 23 Cb -0.66 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1n3s s LEU 23 CO 0.41 0.19 0.66 -0.13 0.23 0.00 0.00 176.35 177.71 1n3s s ARG 24 N -0.02 2.79 0.14 1.70 0.52 -1.26 -5.05 118.95 117.77 1n3s s ARG 24 Ca -0.05 -0.89 -0.34 0.00 -0.52 0.00 0.00 55.73 53.93 1n3s s ARG 24 Cb -0.13 -2.62 -0.14 0.00 0.52 0.00 0.00 34.95 32.58 1n3s s ARG 24 CO 0.03 -0.41 1.61 -0.35 0.02 0.00 0.00 175.30 176.21 1n3s n PRO 25 N -2.06 2.18 -0.62 3.54 -0.04 -1.26 -4.91 135.00 131.83 1n3s n PRO 25 Ca 0.06 0.79 -0.01 0.00 -0.04 0.00 0.00 63.50 64.30 1n3s n PRO 25 Cb 0.59 -2.57 0.22 0.00 -0.04 0.00 0.00 33.50 31.70 1n3s n PRO 25 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1n3s n PRO 26 N 3.72 3.01 0.00 0.54 -0.04 -1.26 -4.85 135.00 136.13 1n3s n PRO 26 Ca 0.17 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1n3s n PRO 26 Cb 0.29 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1n3s n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n3s n VAL 27 N 0.14 0.00 -4.53 0.52 0.31 -1.26 -4.45 118.33 109.06 1n3s n VAL 27 Ca 0.23 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.29 1n3s n VAL 27 Cb 0.96 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.78 1n3s n VAL 27 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1n3s s HIS 28 N -3.75 2.53 -0.34 3.52 3.76 -1.26 -5.13 115.29 114.63 1n3s s HIS 28 Ca 0.00 -0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1n3s s HIS 28 Cb 0.00 -1.78 0.11 0.00 1.11 0.00 0.00 32.58 32.02 1n3s s HIS 28 CO 0.00 0.42 0.14 -1.21 -0.85 0.00 0.00 174.74 173.23 1n3s s GLU 29 N -3.73 0.78 0.13 1.40 2.02 -1.26 -5.12 118.70 112.92 1n3s s GLU 29 Ca 0.36 -1.25 -0.19 0.00 0.02 0.00 0.00 54.97 53.91 1n3s s GLU 29 Cb 0.08 -1.96 -0.07 0.00 0.10 0.00 0.00 34.13 32.28 1n3s s GLU 29 CO 0.19 -1.04 0.62 -1.64 0.02 0.00 0.00 175.26 173.40 1n3s s MET 30 N 1.36 4.21 0.28 1.61 -1.94 -1.26 -5.02 119.30 118.53 1n3s s MET 30 Ca 0.12 0.76 -0.29 0.00 -1.71 0.00 0.00 55.69 54.57 1n3s s MET 30 Cb -0.19 -3.11 -0.14 0.00 2.01 0.00 0.00 34.83 33.40 1n3s s MET 30 CO -0.19 0.56 1.05 -0.25 -0.01 0.00 0.00 175.02 176.18 1n3s n ASP 31 N 1.34 1.44 -0.20 3.03 8.00 -1.26 -4.86 116.55 124.03 1n3s n ASP 31 Ca -0.07 1.18 0.02 0.00 0.71 0.00 0.00 54.79 56.62 1n3s n ASP 31 Cb 0.51 -1.30 0.27 0.00 -0.02 0.00 0.00 41.12 40.58 1n3s n ASP 31 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1n3s h ASN 32 N 2.24 0.81 1.48 -2.24 -0.73 -2.01 -2.21 115.58 112.93 1n3s h ASN 32 Ca -0.40 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.75 1n3s h ASN 32 Cb 1.34 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1n3s h ASN 32 CO 0.62 0.58 -0.01 1.21 -0.37 0.00 0.00 177.43 179.46 1n3s n GLU 33 N -4.44 0.27 0.11 6.67 0.00 -1.26 -3.08 120.64 118.92 1n3s n GLU 33 Ca 0.08 0.22 -0.20 0.00 0.00 0.00 0.00 57.16 57.26 1n3s n GLU 33 Cb 0.06 -1.81 -0.15 0.00 0.00 0.00 0.00 31.44 29.54 1n3s n GLU 33 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1n3s h THR 34 N 0.00 1.32 0.00 6.31 2.02 -1.77 -2.93 112.91 117.86 1n3s h THR 34 Ca 0.00 -2.84 -0.08 0.00 0.77 0.00 0.00 66.41 64.25 1n3s h THR 34 Cb 0.75 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1n3s h THR 34 CO 0.00 0.85 -0.39 0.03 0.37 0.00 0.00 175.52 176.37 1n3s h ARG 35 N 0.10 0.00 -0.03 6.66 3.08 -1.44 -1.95 114.38 120.81 1n3s h ARG 35 Ca -0.21 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.67 1n3s h ARG 35 Cb 2.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.13 1n3s h ARG 35 CO 0.22 0.39 -0.62 0.87 -1.07 0.00 0.00 179.97 179.77 1n3s h LYS 36 N 0.00 0.47 -0.09 0.04 1.57 -1.60 -2.30 116.57 114.66 1n3s h LYS 36 Ca -0.00 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 1n3s h LYS 36 Cb 0.76 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1n3s h LYS 36 CO 0.05 1.11 -0.33 0.66 -0.57 0.00 0.00 179.45 180.37 1n3s h SER 37 N 0.00 0.18 -0.03 0.86 4.64 -1.42 0.52 113.55 118.30 1n3s h SER 37 Ca -0.07 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 60.96 1n3s h SER 37 Cb 1.31 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1n3s h SER 37 CO 0.12 0.51 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.64 1n3s h LEU 38 N 0.16 0.82 -0.69 5.97 3.38 -1.39 -0.96 115.31 122.61 1n3s h LEU 38 Ca 0.02 -0.72 -0.13 0.00 0.09 0.00 0.00 57.88 57.13 1n3s h LEU 38 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n3s h LEU 38 CO 0.05 1.43 -0.45 0.40 0.09 0.00 0.00 178.44 179.96 1n3s h ILE 39 N 0.29 1.31 -0.54 1.22 2.04 -1.27 -0.88 117.51 119.70 1n3s h ILE 39 Ca -0.10 -1.65 -0.09 0.00 1.00 0.00 0.00 64.86 64.02 1n3s h ILE 39 Cb 1.54 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1n3s h ILE 39 CO 0.17 0.51 -0.03 0.00 0.00 0.00 0.00 178.15 178.80 1n3s h ALA 40 N 1.13 0.93 -0.42 1.87 0.00 -0.89 0.28 119.26 122.16 1n3s h ALA 40 Ca 0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1n3s h ALA 40 Cb 0.94 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1n3s h ALA 40 CO 0.08 0.63 -0.13 0.78 0.00 0.00 0.00 179.25 180.62 1n3s h GLY 41 N 0.99 0.83 1.93 0.00 0.00 -0.70 -0.98 103.07 105.13 1n3s h GLY 41 Ca 0.15 -0.64 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1n3s h GLY 41 CO 0.03 0.59 -0.72 0.45 0.00 0.00 0.00 176.54 176.89 1n3s h HIS 42 N 0.69 0.09 0.00 5.60 -0.00 -0.77 -2.89 115.15 117.87 1n3s h HIS 42 Ca 0.11 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.34 1n3s h HIS 42 Cb 0.61 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1n3s h HIS 42 CO 0.03 0.76 -0.46 0.52 -0.00 0.00 0.00 177.93 178.78 1n3s h MET 43 N 0.04 0.00 -0.16 2.45 2.86 -0.61 -2.60 114.93 116.91 1n3s h MET 43 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1n3s h MET 43 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 1n3s h MET 43 CO 0.10 0.46 -0.46 1.15 1.06 0.00 0.00 176.91 179.22 1n3s h THR 44 N 0.00 1.32 -0.25 2.22 2.02 -1.07 -2.00 112.91 115.16 1n3s h THR 44 Ca -0.00 -1.66 -0.15 0.00 0.77 0.00 0.00 66.41 65.37 1n3s h THR 44 Cb 1.22 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1n3s h THR 44 CO 0.06 0.51 -0.41 -0.33 0.37 0.00 0.00 175.52 175.71 1n3s h GLU 45 N 0.32 0.72 -0.56 6.66 4.39 -1.40 -2.54 114.58 122.17 1n3s h GLU 45 Ca 0.02 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1n3s h GLU 45 Cb 0.93 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1n3s h GLU 45 CO 0.08 1.06 0.27 0.82 -1.16 0.00 0.00 179.01 180.08 1n3s h ILE 46 N 0.45 1.20 -0.14 3.13 2.04 -1.29 -1.95 117.51 120.94 1n3s h ILE 46 Ca 0.02 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1n3s h ILE 46 Cb 1.01 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1n3s h ILE 46 CO 0.09 0.23 -0.32 0.24 0.00 0.00 0.00 178.15 178.40 1n3s h MET 47 N 0.76 0.28 -0.04 2.37 2.86 -1.38 -2.32 114.93 117.47 1n3s h MET 47 Ca 0.19 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1n3s h MET 47 Cb 0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1n3s h MET 47 CO -0.02 0.57 -0.59 0.37 1.06 0.00 0.00 176.91 178.31 1n3s h GLN 48 N 0.25 0.11 0.00 1.72 4.15 -1.15 -2.10 115.11 118.09 1n3s h GLN 48 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1n3s h GLN 48 Cb 0.69 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1n3s h GLN 48 CO 0.05 0.67 0.00 1.28 -1.93 0.00 0.00 178.83 178.90 1n3s n LEU 49 N -3.86 0.42 -1.18 -2.39 4.77 -0.76 -2.62 117.00 111.38 1n3s n LEU 49 Ca -0.02 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1n3s n LEU 49 Cb 0.60 -0.45 0.23 0.00 -2.33 0.00 0.00 43.42 41.46 1n3s n LEU 49 CO 0.43 -0.22 0.71 0.18 -1.33 0.00 0.00 177.39 177.16 1n3s n LEU 50 N -1.92 3.55 -1.89 2.23 4.77 -0.84 -4.97 117.00 117.94 1n3s n LEU 50 Ca 0.05 -1.62 -0.15 0.00 -0.03 0.00 0.00 56.01 54.26 1n3s n LEU 50 Cb 0.32 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1n3s n LEU 50 CO 0.24 0.79 -0.12 0.59 -1.33 0.00 0.00 177.39 177.57 1n3s n ASN 51 N 1.50 -4.62 -4.77 -1.43 3.02 -1.08 -5.03 115.26 102.86 1n3s n ASN 51 Ca 0.20 -0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.29 1n3s n ASN 51 Cb 0.60 -3.65 -0.06 0.00 -0.61 0.00 0.00 39.78 36.06 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 -4.50 4.33 -0.53 3.41 1.43 -0.93 -5.04 118.68 116.85 1n3s s LEU 52 Ca 0.08 0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 1n3s s LEU 52 Cb -0.04 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1n3s s LEU 52 CO 0.10 0.16 1.11 -0.62 0.23 0.00 0.00 176.35 177.34 1n3s s ASP 53 N -0.03 6.50 0.00 2.29 2.15 -1.26 -4.58 116.67 121.73 1n3s s ASP 53 Ca 0.21 0.17 0.27 0.00 0.43 0.00 0.00 52.55 53.63 1n3s s ASP 53 Cb -0.14 -2.53 1.62 0.00 -0.30 0.00 0.00 42.92 41.56 1n3s s ASP 53 CO 0.08 -1.33 1.97 0.18 -0.17 0.00 0.00 175.17 175.90 1n3s n LEU 54 N 7.99 0.00 0.08 -1.34 4.77 -1.26 -2.78 117.00 124.45 1n3s n LEU 54 Ca 0.09 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1n3s n LEU 54 Cb 0.49 -0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.88 1n3s n LEU 54 CO 0.70 -0.00 0.64 0.00 -1.33 0.00 0.00 177.39 177.39 1n3s n ALA 55 N -1.00 2.62 -2.16 -1.18 0.00 -1.26 -4.12 120.51 113.42 1n3s n ALA 55 Ca 0.20 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1n3s n ALA 55 Cb 0.09 -1.32 -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 -4.25 6.97 0.48 0.00 2.15 -1.12 -4.93 116.67 115.97 1n3s s ASP 56 Ca 0.09 2.25 0.20 0.00 0.43 0.00 0.00 52.55 55.52 1n3s s ASP 56 Cb 0.13 -2.60 1.09 0.00 -0.30 0.00 0.00 42.92 41.25 1n3s s ASP 56 CO 0.65 -0.51 1.56 -2.24 -0.17 0.00 0.00 175.17 174.46 1n3s h ASP 57 N 6.05 0.00 0.00 -0.34 2.03 -1.91 -2.53 116.42 119.72 1n3s h ASP 57 Ca -0.43 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 55.70 1n3s h ASP 57 Cb 1.21 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 1n3s h ASP 57 CO 0.80 0.00 -1.63 -0.24 -1.03 0.00 0.00 179.24 177.14 1n3s n SER 58 N -2.43 2.80 0.08 4.15 2.88 -1.26 -4.53 113.62 115.30 1n3s n SER 58 Ca -0.01 -0.01 0.12 0.00 -1.33 0.00 0.00 58.87 57.64 1n3s n SER 58 Cb 0.36 0.59 0.46 0.00 -0.75 0.00 0.00 64.21 64.88 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 -2.41 0.52 -0.09 2.46 4.77 -1.10 -3.51 117.00 117.64 1n3s n LEU 59 Ca -0.16 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 1n3s n LEU 59 Cb 0.79 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1n3s n LEU 59 CO 0.18 -0.22 0.50 -0.03 -1.33 0.00 0.00 177.39 176.50 1n3s h MET 60 N 0.00 0.78 -0.03 3.23 4.05 -1.61 -3.20 114.93 118.15 1n3s h MET 60 Ca 0.00 -0.46 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1n3s h MET 60 Cb 0.56 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1n3s h MET 60 CO 0.00 1.08 0.00 0.39 0.23 0.00 0.00 176.91 178.61 1n3s n GLU 61 N -4.15 1.65 -0.16 0.39 -0.58 -1.23 -4.38 120.64 112.18 1n3s n GLU 61 Ca -0.04 -0.95 -0.09 0.00 -0.42 0.00 0.00 57.16 55.66 1n3s n GLU 61 Cb 0.54 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 2.28 1.22 0.00 2.62 2.02 -1.65 -2.58 112.91 116.82 1n3s h THR 62 Ca 0.00 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 1n3s h THR 62 Cb 0.48 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1n3s h THR 62 CO 0.00 0.27 -0.32 -0.65 0.37 0.00 0.00 175.52 175.19 1n3s h PRO 63 N 0.60 0.00 -0.17 6.66 0.11 -1.78 -1.91 132.00 135.51 1n3s h PRO 63 Ca 0.15 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 1n3s h PRO 63 Cb 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1n3s h PRO 63 CO -0.00 0.32 -0.58 1.25 -0.21 0.00 0.00 178.00 178.78 1n3s h HIS 64 N 0.00 0.71 -0.40 0.65 -0.00 -1.83 -2.37 115.15 111.91 1n3s h HIS 64 Ca -0.00 -0.26 -0.12 0.00 -0.00 0.00 0.00 60.37 59.98 1n3s h HIS 64 Cb 0.60 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1n3s h HIS 64 CO 0.00 1.00 -0.23 0.00 -0.00 0.00 0.00 177.93 178.70 1n3s h ARG 65 N 0.42 0.87 -0.01 5.26 3.08 -1.12 -1.17 114.38 121.72 1n3s h ARG 65 Ca 0.00 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 1n3s h ARG 65 Cb 1.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1n3s h ARG 65 CO 0.11 1.04 -0.51 0.82 -1.07 0.00 0.00 179.97 180.36 1n3s h ILE 66 N 0.69 1.37 -0.11 2.04 2.04 -1.38 -1.46 117.51 120.69 1n3s h ILE 66 Ca 0.09 -1.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 1n3s h ILE 66 Cb 0.80 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1n3s h ILE 66 CO 0.07 0.50 -0.11 0.00 0.00 0.00 0.00 178.15 178.61 1n3s h ALA 67 N 1.46 0.16 0.00 1.87 0.00 -1.26 -2.39 119.26 119.11 1n3s h ALA 67 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1n3s h ALA 67 Cb 0.91 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1n3s h ALA 67 CO 0.07 0.01 -0.25 -0.22 0.00 0.00 0.00 179.25 178.85 1n3s h LYS 68 N -0.12 0.00 0.03 0.00 3.64 -1.12 -2.05 116.57 116.96 1n3s h LYS 68 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1n3s h LYS 68 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1n3s h LYS 68 CO 0.03 0.25 -0.02 1.98 -2.27 0.00 0.00 179.45 179.42 1n3s h MET 69 N 0.00 -0.04 -0.37 1.90 4.05 -1.19 -2.18 114.93 117.10 1n3s h MET 69 Ca -0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1n3s h MET 69 Cb 0.45 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1n3s h MET 69 CO 0.03 0.42 -0.17 1.88 0.23 0.00 0.00 176.91 179.31 1n3s h TYR 70 N -0.52 0.75 0.05 1.39 0.05 -1.18 -0.99 116.97 116.51 1n3s h TYR 70 Ca -0.00 -0.15 -0.26 0.00 0.05 0.00 0.00 58.73 58.37 1n3s h TYR 70 Cb 0.48 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1n3s h TYR 70 CO 0.09 0.80 -1.40 0.28 -1.05 0.00 0.00 178.16 176.88 1n3s h VAL 71 N 0.61 0.91 0.00 -2.88 2.07 -1.48 -3.37 116.25 112.11 1n3s h VAL 71 Ca 0.10 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 1n3s h VAL 71 Cb 0.62 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1n3s h VAL 71 CO 0.04 0.53 -1.84 0.47 0.02 0.00 0.00 177.57 176.79 1n3s n ASP 72 N -4.13 0.82 0.00 0.57 8.00 -0.83 -4.75 116.55 116.24 1n3s n ASP 72 Ca -0.30 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1n3s n ASP 72 Cb 0.80 1.82 0.00 0.00 -0.02 0.00 0.00 41.12 43.72 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 -2.14 0.00 0.24 -1.24 1.02 -0.87 -4.73 120.64 112.92 1n3s n GLU 73 Ca -0.04 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.26 1n3s n GLU 73 Cb 0.48 -0.04 0.67 0.00 -0.02 0.00 0.00 31.44 32.53 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 -0.16 -3.67 3.07 -1.50 -3.13 117.51 112.11 1n3s h ILE 74 Ca 0.00 -0.39 -0.03 0.00 1.55 0.00 0.00 64.86 65.99 1n3s h ILE 74 Cb 0.00 1.30 -0.02 0.00 -0.27 0.00 0.00 36.82 37.83 1n3s h ILE 74 CO 0.00 0.00 -0.06 0.49 -1.05 0.00 0.00 178.15 177.53 1n3s n PHE 75 N -2.84 0.56 0.30 0.16 3.72 -1.26 -3.31 117.46 114.80 1n3s n PHE 75 Ca 0.01 -1.12 0.20 0.00 -0.05 0.00 0.00 57.45 56.49 1n3s n PHE 75 Cb 0.26 -0.29 1.06 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.97 0.00 0.07 4.37 4.64 -1.49 -2.49 113.55 119.61 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 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1n3s h SER 76 CO 0.16 0.00 -0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1n3s n GLY 77 N -1.00 -1.02 0.18 -0.77 0.00 0.11 -2.86 105.19 99.83 1n3s n GLY 77 Ca -0.02 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.04 0.00 -8.54 0.99 3.38 -1.58 -3.43 115.31 106.17 1n3s h LEU 78 Ca 0.00 -0.01 -0.68 0.00 0.09 0.00 0.00 57.88 57.28 1n3s h LEU 78 Cb 0.04 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.57 1n3s h LEU 78 CO 0.00 0.00 -0.53 -1.81 0.09 0.00 0.00 178.44 176.20 1n3s s ASP 79 N -5.75 5.70 0.00 -0.43 1.11 -1.14 -4.98 116.67 111.19 1n3s s ASP 79 Ca 0.07 -0.64 0.08 0.00 0.18 0.00 0.00 52.55 52.24 1n3s s ASP 79 Cb 0.07 -2.04 0.49 0.00 1.07 0.00 0.00 42.92 42.52 1n3s s ASP 79 CO 0.67 -0.26 0.97 -1.22 1.18 0.00 0.00 175.17 176.51 1n3s n TYR 80 N 5.01 0.00 0.15 4.23 4.02 -1.26 -1.61 117.16 127.70 1n3s n TYR 80 Ca -0.13 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.84 1n3s n TYR 80 Cb 0.48 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.86 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 2.57 0.75 -0.04 -0.72 0.00 -1.92 -3.17 119.26 116.73 1n3s h ALA 81 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1n3s h ALA 81 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n3s h ALA 81 CO 0.00 0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.62 1n3s n ASN 82 N -3.00 1.35 -4.72 0.00 3.02 -0.63 -4.93 115.26 106.34 1n3s n ASN 82 Ca 0.01 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.65 1n3s n ASN 82 Cb 0.63 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 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 -1.96 3.07 0.39 3.10 5.36 -1.20 -4.95 117.98 121.78 1n3s s PHE 83 Ca 0.38 0.72 -0.27 0.00 -0.96 0.00 0.00 56.93 56.80 1n3s s PHE 83 Cb 0.20 -3.89 -0.11 0.00 -0.34 0.00 0.00 43.02 38.88 1n3s s PHE 83 CO 0.32 -3.23 1.32 -0.35 -1.46 0.00 0.00 175.22 171.83 1n3s n PRO 84 N 3.69 2.12 -2.49 10.12 -0.04 -1.26 -4.90 135.00 142.23 1n3s n PRO 84 Ca 0.12 0.75 -0.40 0.00 -0.04 0.00 0.00 63.50 63.93 1n3s n PRO 84 Cb 0.39 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 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 -2.12 3.31 0.20 0.54 1.02 -1.26 -4.91 119.74 116.53 1n3s s LYS 85 Ca 0.58 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1n3s s LYS 85 Cb -0.52 -4.82 -0.09 0.00 -0.52 0.00 0.00 37.83 31.88 1n3s s LYS 85 CO 0.60 -2.29 1.26 0.42 -0.92 0.00 0.00 175.35 174.42 1n3s s ILE 86 N 5.83 3.31 -0.17 2.17 1.01 -1.26 -5.03 121.20 127.06 1n3s s ILE 86 Ca 0.44 1.11 0.01 0.00 0.00 0.00 0.00 60.65 62.21 1n3s s ILE 86 Cb -0.04 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1n3s s ILE 86 CO 0.02 0.18 -0.18 0.42 0.00 0.00 0.00 174.94 175.38 1n3s s THR 87 N -0.06 2.29 -0.15 2.92 -4.23 -1.26 -5.09 115.64 110.07 1n3s s THR 87 Ca 0.54 -0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1n3s s THR 87 Cb -0.35 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1n3s s THR 87 CO 0.39 0.53 -0.12 -0.76 -0.54 0.00 0.00 174.62 174.11 1n3s s LEU 88 N 1.09 2.70 -0.13 4.79 1.43 -1.26 -2.22 118.68 125.09 1n3s s LEU 88 Ca -0.00 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 1n3s s LEU 88 Cb -0.14 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1n3s s LEU 88 CO -0.07 0.13 0.32 -0.63 0.23 0.00 0.00 176.35 176.33 1n3s s ILE 89 N 0.58 5.26 0.10 -0.59 1.01 -0.03 -4.93 121.20 122.59 1n3s s ILE 89 Ca -0.08 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 60.89 1n3s s ILE 89 Cb -0.16 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1n3s s ILE 89 CO 0.03 0.43 1.39 -0.70 0.00 0.00 0.00 174.94 176.09 1n3s s GLU 90 N 0.13 4.32 -1.32 2.79 2.12 -1.26 -1.08 118.70 124.40 1n3s s GLU 90 Ca 0.19 2.05 -0.17 0.00 0.36 0.00 0.00 54.97 57.40 1n3s s GLU 90 Cb -0.14 -3.30 0.07 0.00 0.26 0.00 0.00 34.13 31.02 1n3s s GLU 90 CO 0.06 -0.45 1.79 -1.71 -0.54 0.00 0.00 175.26 174.41 1n3s n ASN 91 N 4.17 4.83 -1.08 -1.70 5.15 -0.61 -4.60 115.26 121.42 1n3s n ASN 91 Ca 0.12 -2.91 0.11 0.00 -0.60 0.00 0.00 54.58 51.30 1n3s n ASN 91 Cb 0.43 -1.74 0.25 0.00 -0.53 0.00 0.00 39.78 38.19 1n3s n ASN 91 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1n3s n LYS 92 N 8.07 2.40 0.01 1.20 5.02 -1.26 -3.34 118.16 130.26 1n3s n LYS 92 Ca 0.49 -2.13 0.11 0.00 -2.02 0.00 0.00 58.31 54.76 1n3s n LYS 92 Cb 0.45 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1n3s n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1n3s n MET 93 N 1.32 0.13 -3.59 1.97 2.81 -1.26 -4.99 117.12 113.50 1n3s n MET 93 Ca 0.19 -0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.81 1n3s n MET 93 Cb 0.56 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.69 -2.69 -2.74 0.03 5.02 -1.21 -4.92 118.16 109.96 1n3s n LYS 94 Ca 0.03 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1n3s n LYS 94 Cb 0.38 -4.96 -0.03 0.00 -0.02 0.00 0.00 35.03 30.40 1n3s n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n3s s VAL 95 N -2.89 4.85 -0.44 -0.18 1.01 -1.26 -4.91 120.40 116.57 1n3s s VAL 95 Ca 0.48 1.98 0.05 0.00 0.00 0.00 0.00 61.98 64.49 1n3s s VAL 95 Cb -0.26 -4.28 0.42 0.00 0.00 0.00 0.00 36.38 32.25 1n3s s VAL 95 CO 0.58 0.09 1.32 -0.90 0.00 0.00 0.00 175.10 176.20 1n3s n ASP 96 N 4.45 3.53 -4.91 3.32 5.75 -1.26 -4.53 116.55 122.90 1n3s n ASP 96 Ca 0.07 -2.67 -0.28 0.00 -0.01 0.00 0.00 54.79 51.90 1n3s n ASP 96 Cb 0.50 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.97 1n3s n ASP 96 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1n3s s GLU 97 N -1.90 3.15 -0.12 0.11 2.12 -1.26 -4.97 118.70 115.82 1n3s s GLU 97 Ca 0.30 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.77 1n3s s GLU 97 Cb 0.24 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 1n3s s GLU 97 CO 0.08 -0.58 -0.01 1.41 -0.54 0.00 0.00 175.26 175.62 1n3s s MET 98 N -4.97 3.38 -0.11 4.30 -2.45 -1.26 -3.77 119.30 114.42 1n3s s MET 98 Ca 0.52 -0.44 0.03 0.00 -1.25 0.00 0.00 55.69 54.55 1n3s s MET 98 Cb -0.11 -2.89 -0.00 0.00 1.25 0.00 0.00 34.83 33.08 1n3s s MET 98 CO 0.46 0.47 -0.20 0.08 1.05 0.00 0.00 175.02 176.88 1n3s s VAL 99 N -0.24 2.38 -0.10 10.11 1.01 -0.60 -5.01 120.40 127.95 1n3s s VAL 99 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1n3s s VAL 99 Cb -0.12 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1n3s s VAL 99 CO 0.02 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.69 1n3s s THR 100 N 0.34 1.08 -0.34 3.92 2.01 -1.26 -1.23 115.64 120.16 1n3s s THR 100 Ca -0.16 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1n3s s THR 100 Cb -0.17 -1.06 0.06 0.00 0.01 0.00 0.00 72.50 71.34 1n3s s THR 100 CO 0.08 0.37 0.09 -0.69 -0.69 0.00 0.00 174.62 173.77 1n3s s VAL 101 N 1.39 3.37 0.44 3.82 1.01 0.66 -5.00 120.40 126.10 1n3s s VAL 101 Ca -0.01 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1n3s s VAL 101 Cb -0.13 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1n3s s VAL 101 CO -0.05 -0.26 0.46 0.00 0.00 0.00 0.00 175.10 175.25 1n3s s ARG 102 N 1.29 2.55 -1.53 2.72 3.03 -1.26 -1.58 118.95 124.16 1n3s s ARG 102 Ca -0.01 -1.53 -0.13 0.00 2.03 0.00 0.00 55.73 56.09 1n3s s ARG 102 Cb -0.20 -2.45 0.09 0.00 -1.03 0.00 0.00 34.95 31.35 1n3s s ARG 102 CO -0.00 -0.31 0.92 -0.25 -1.13 0.00 0.00 175.30 174.52 1n3s n ASP 103 N -1.70 -4.16 -4.69 -2.89 8.00 -1.08 -4.95 116.55 105.08 1n3s n ASP 103 Ca 0.05 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 1n3s n ASP 103 Cb 0.61 -3.73 -0.03 0.00 -0.02 0.00 0.00 41.12 37.96 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 -3.35 4.16 -0.06 0.53 1.01 -0.39 -4.81 121.20 118.30 1n3s s ILE 104 Ca 0.60 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 62.47 1n3s s ILE 104 Cb -0.30 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 1n3s s ILE 104 CO 0.84 0.03 1.79 -0.89 0.00 0.00 0.00 174.94 176.72 1n3s s THR 105 N 1.92 3.37 -0.17 2.92 2.01 -1.26 -1.25 115.64 123.18 1n3s s THR 105 Ca 0.57 0.44 0.01 0.00 0.31 0.00 0.00 61.69 63.02 1n3s s THR 105 Cb -0.26 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 68.96 1n3s s THR 105 CO 0.24 -0.07 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.74 1n3s s LEU 106 N 4.66 1.90 -0.22 4.42 0.20 -0.83 -4.76 118.68 124.06 1n3s s LEU 106 Ca 0.80 -0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.02 1n3s s LEU 106 Cb -0.35 -1.24 0.03 0.00 -0.43 0.00 0.00 46.19 44.20 1n3s s LEU 106 CO 0.34 -0.07 -0.14 0.42 -0.29 0.00 0.00 176.35 176.61 1n3s s THR 107 N 1.43 2.38 0.13 3.68 -4.23 -1.26 -1.44 115.64 116.32 1n3s s THR 107 Ca 0.03 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1n3s s THR 107 Cb -0.14 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1n3s s THR 107 CO -0.10 0.32 0.07 -0.24 -0.54 0.00 0.00 174.62 174.13 1n3s n SER 108 N 4.60 0.49 -3.75 3.99 2.88 -0.92 -4.02 113.62 116.90 1n3s n SER 108 Ca -0.18 -1.73 -0.13 0.00 -1.33 0.00 0.00 58.87 55.49 1n3s n SER 108 Cb 0.48 0.44 -0.14 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.22 -0.04 0.09 2.46 2.01 -1.25 -2.03 115.64 114.66 1n3s s THR 109 Ca 0.10 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 1n3s s THR 109 Cb 0.00 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 1n3s s THR 109 CO 0.07 0.06 1.21 0.00 -0.69 0.00 0.00 174.62 175.27 1n3s n GLU 111 N 3.59 0.13 0.12 0.00 0.28 -0.46 -0.64 120.64 123.66 1n3s n GLU 111 Ca 0.08 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1n3s n GLU 111 Cb 0.46 -1.72 -0.01 0.00 1.43 0.00 0.00 31.44 31.60 1n3s n GLU 111 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 1n3s h HIS 112 N 0.00 0.00 0.00 -1.84 2.07 -1.91 -3.40 115.15 110.07 1n3s h HIS 112 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1n3s h HIS 112 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 1n3s h HIS 112 CO 0.00 0.62 0.00 0.43 -3.07 0.00 0.00 177.93 175.91 1n3s n SER 113 N -3.26 0.00 -2.93 3.10 7.64 -1.17 -5.03 113.62 111.97 1n3s n SER 113 Ca 0.02 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.67 1n3s n SER 113 Cb 0.78 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.80 -4.18 1.43 3.01 0.19 -5.01 117.46 111.09 1n3s n PHE 114 Ca 0.00 0.43 -0.27 0.00 1.01 0.00 0.00 57.45 58.62 1n3s n PHE 114 Cb 0.30 -4.33 -0.08 0.00 -0.01 0.00 0.00 39.48 35.36 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 -3.14 3.83 0.32 -4.37 1.01 -1.25 -4.83 120.40 111.97 1n3s s VAL 115 Ca 0.26 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.64 1n3s s VAL 115 Cb -0.11 -2.90 -0.13 0.00 0.00 0.00 0.00 36.38 33.23 1n3s s VAL 115 CO 0.32 -0.06 1.21 0.41 0.00 0.00 0.00 175.10 176.98 1n3s n THR 116 N 0.01 1.95 -3.97 3.92 -1.04 -1.26 -0.56 114.28 113.32 1n3s n THR 116 Ca -0.10 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.05 61.13 1n3s n THR 116 Cb 0.54 -1.40 -0.16 0.00 -1.82 0.00 0.00 70.33 67.49 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 -1.04 1.50 -0.25 12.58 1.01 -0.86 -1.94 121.20 132.20 1n3s s ILE 117 Ca 0.57 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1n3s s ILE 117 Cb -0.61 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1n3s s ILE 117 CO 0.61 0.22 0.17 -0.62 0.00 0.00 0.00 174.94 175.32 1n3s s ASP 118 N 1.47 6.10 0.25 3.58 2.15 -0.63 -2.16 116.67 127.43 1n3s s ASP 118 Ca 0.00 0.09 -0.06 0.00 0.43 0.00 0.00 52.55 53.01 1n3s s ASP 118 Cb -0.15 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.34 1n3s s ASP 118 CO -0.09 0.04 0.35 -0.83 -0.17 0.00 0.00 175.17 174.47 1n3s s GLY 119 N 1.22 1.09 -0.03 2.66 0.00 -0.52 0.14 107.32 111.87 1n3s s GLY 119 Ca 0.07 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1n3s s GLY 119 CO 0.06 -1.00 -0.03 0.54 0.00 0.00 0.00 173.10 172.67 1n3s s LYS 120 N -3.88 0.51 0.03 2.90 3.01 0.67 -1.97 119.74 121.02 1n3s s LYS 120 Ca 0.30 -0.06 0.05 0.00 -1.01 0.00 0.00 55.97 55.26 1n3s s LYS 120 Cb 0.02 -0.58 -0.03 0.00 -1.01 0.00 0.00 37.83 36.23 1n3s s LYS 120 CO 0.13 -0.05 -0.11 0.00 0.51 0.00 0.00 175.35 175.83 1n3s s ALA 121 N 0.65 2.87 -0.12 5.17 0.00 -0.38 -0.79 121.76 129.16 1n3s s ALA 121 Ca -0.07 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1n3s s ALA 121 Cb -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1n3s s ALA 121 CO -0.01 0.61 -0.11 0.99 0.00 0.00 0.00 175.76 177.24 1n3s s THR 122 N -1.01 1.25 -0.07 0.00 2.01 0.14 -1.26 115.64 116.71 1n3s s THR 122 Ca 0.17 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1n3s s THR 122 Cb -0.11 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1n3s s THR 122 CO 0.08 0.40 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 1n3s s VAL 123 N 1.48 1.51 0.00 3.82 1.01 -0.62 -0.00 120.40 127.61 1n3s s VAL 123 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1n3s s VAL 123 Cb -0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1n3s s VAL 123 CO -0.07 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.41 1n3s s ALA 124 N 0.38 0.45 0.07 5.51 0.00 0.33 -0.24 121.76 128.26 1n3s s ALA 124 Ca -0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 1n3s s ALA 124 Cb -0.15 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1n3s s ALA 124 CO 0.05 0.09 0.34 1.52 0.00 0.00 0.00 175.76 177.75 1n3s s TYR 125 N -0.29 -0.13 -0.32 0.00 1.13 -0.36 0.34 117.35 117.72 1n3s s TYR 125 Ca 0.00 -0.07 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 1n3s s TYR 125 Cb -0.03 0.14 0.05 0.00 -1.10 0.00 0.00 41.96 41.02 1n3s s TYR 125 CO -0.00 -0.57 0.06 0.42 -2.51 0.00 0.00 175.55 172.95 1n3s s ILE 126 N -3.00 3.35 0.24 -3.49 1.01 -0.75 -1.55 121.20 117.01 1n3s s ILE 126 Ca -0.02 -1.31 -0.31 0.00 0.00 0.00 0.00 60.65 59.01 1n3s s ILE 126 Cb 0.01 -2.94 -0.13 0.00 0.01 0.00 0.00 42.46 39.41 1n3s s ILE 126 CO -0.06 -0.17 1.44 -2.65 0.00 0.00 0.00 174.94 173.49 1n3s n PRO 127 N 4.70 2.09 0.00 2.79 -0.02 -1.25 -4.83 135.00 138.49 1n3s n PRO 127 Ca -0.12 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1n3s n PRO 127 Cb 0.44 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.15 0.00 0.00 -0.52 4.81 -1.26 -4.63 118.16 118.70 1n3s n LYS 128 Ca 0.12 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.63 1n3s n LYS 128 Cb 0.32 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.29 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 -0.79 0.75 -3.90 3.14 8.00 -1.26 -4.85 116.55 117.64 1n3s n ASP 129 Ca 0.00 -0.87 -0.11 0.00 0.71 0.00 0.00 54.79 54.52 1n3s n ASP 129 Cb 0.00 0.96 -0.11 0.00 -0.02 0.00 0.00 41.12 41.95 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 -2.30 0.06 -0.21 -2.24 1.04 -1.26 -1.58 113.70 107.21 1n3s s SER 130 Ca 0.06 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 1n3s s SER 130 Cb 0.11 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1n3s s SER 130 CO 0.57 -0.26 -0.13 -0.69 0.98 0.00 0.00 173.24 173.71 1n3s s VAL 131 N -1.04 2.58 0.45 5.02 1.01 -0.24 -4.68 120.40 123.50 1n3s s VAL 131 Ca -0.11 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1n3s s VAL 131 Cb -0.07 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 1n3s s VAL 131 CO 0.00 0.41 0.98 -0.51 0.00 0.00 0.00 175.10 175.98 1n3s s ILE 132 N 1.34 4.23 0.16 2.22 2.07 -1.26 -0.85 121.20 129.10 1n3s s ILE 132 Ca 0.04 1.37 -0.31 0.00 -1.41 0.00 0.00 60.65 60.33 1n3s s ILE 132 Cb -0.14 -3.56 -0.09 0.00 0.13 0.00 0.00 42.46 38.79 1n3s s ILE 132 CO -0.08 -0.33 1.44 -0.83 -1.91 0.00 0.00 174.94 173.23 1n3s s GLY 133 N -2.20 1.96 0.19 1.50 0.00 -0.94 -4.93 107.32 102.90 1n3s s GLY 133 Ca 0.63 1.22 -0.21 0.00 0.00 0.00 0.00 44.72 46.36 1n3s s GLY 133 CO 0.16 2.39 1.58 1.41 0.00 0.00 0.00 173.10 178.64 1n3s h LEU 134 N 6.40 -1.26 -2.05 0.66 3.38 -1.95 -1.86 115.31 118.64 1n3s h LEU 134 Ca -0.43 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1n3s h LEU 134 Cb 1.21 0.62 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1n3s h LEU 134 CO 0.86 -0.31 -0.06 0.77 0.09 0.00 0.00 178.44 179.79 1n3s h SER 135 N -0.15 0.00 0.43 -0.43 4.64 -2.01 -1.66 113.55 114.38 1n3s h SER 135 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1n3s h SER 135 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1n3s h SER 135 CO -0.73 0.06 -0.11 0.11 -0.87 0.00 0.00 176.83 175.29 1n3s h LYS 136 N 0.00 0.00 -0.11 4.77 1.79 -1.72 0.15 116.57 121.44 1n3s h LYS 136 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1n3s h LYS 136 Cb 0.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1n3s h LYS 136 CO 0.01 0.11 -0.16 0.82 -1.08 0.00 0.00 179.45 179.15 1n3s h ILE 137 N 0.00 1.37 -0.66 1.86 2.04 -1.34 0.39 117.51 121.18 1n3s h ILE 137 Ca -0.00 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 1n3s h ILE 137 Cb 0.35 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1n3s h ILE 137 CO 0.01 0.40 0.33 0.78 0.00 0.00 0.00 178.15 179.67 1n3s h ASN 138 N -0.10 0.85 -0.44 1.72 2.35 -1.39 -1.99 115.58 116.57 1n3s h ASN 138 Ca 0.01 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.51 1n3s h ASN 138 Cb 0.71 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1n3s h ASN 138 CO 0.04 0.74 -0.23 0.03 -1.65 0.00 0.00 177.43 176.35 1n3s h ARG 139 N 0.91 0.95 -0.54 0.81 3.08 -0.93 -2.11 114.38 116.55 1n3s h ARG 139 Ca 0.23 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1n3s h ARG 139 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1n3s h ARG 139 CO -0.03 1.08 0.18 0.82 -1.07 0.00 0.00 179.97 180.94 1n3s h ILE 140 N 0.82 1.23 -0.08 2.04 2.04 -0.72 0.92 117.51 123.75 1n3s h ILE 140 Ca 0.10 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1n3s h ILE 140 Cb 0.80 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1n3s h ILE 140 CO 0.07 0.29 -0.00 0.58 0.00 0.00 0.00 178.15 179.08 1n3s h VAL 141 N 0.74 0.94 -0.21 1.67 2.07 -1.29 -2.65 116.25 117.52 1n3s h VAL 141 Ca 0.18 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.59 1n3s h VAL 141 Cb 0.26 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1n3s h VAL 141 CO -0.01 0.01 -0.28 1.56 0.02 0.00 0.00 177.57 178.87 1n3s h GLN 142 N 0.03 0.41 0.22 1.57 1.08 -1.13 -2.07 115.11 115.22 1n3s h GLN 142 Ca 0.04 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1n3s h GLN 142 Cb 0.05 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1n3s h GLN 142 CO -0.07 0.65 -0.17 0.35 -0.95 0.00 0.00 178.83 178.64 1n3s h PHE 143 N 0.36 -0.46 0.00 2.96 3.57 -0.49 0.40 116.94 123.28 1n3s h PHE 143 Ca 0.05 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1n3s h PHE 143 Cb 0.68 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1n3s h PHE 143 CO 0.02 -0.27 -0.14 0.74 -2.23 0.00 0.00 178.31 176.43 1n3s h PHE 144 N -0.41 0.00 0.04 0.41 0.04 -1.44 -2.97 116.94 112.61 1n3s h PHE 144 Ca -0.01 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.53 1n3s h PHE 144 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1n3s h PHE 144 CO -0.12 0.14 -1.00 0.00 -0.60 0.00 0.00 178.31 176.73 1n3s h ALA 145 N 1.86 0.35 0.00 2.45 0.00 -0.79 -3.35 119.26 119.79 1n3s h ALA 145 Ca -0.00 -0.78 -0.61 0.00 0.00 0.00 0.00 54.91 53.52 1n3s h ALA 145 Cb 0.71 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1n3s h ALA 145 CO 0.02 0.94 3.36 1.04 0.00 0.00 0.00 179.25 184.61 1n3s n GLN 146 N -3.61 3.05 -3.63 0.00 1.13 0.08 -4.21 117.38 110.18 1n3s n GLN 146 Ca -0.05 -2.07 -0.10 0.00 -1.94 0.00 0.00 57.00 52.84 1n3s n GLN 146 Cb 0.88 -2.81 -0.03 0.00 0.11 0.00 0.00 30.24 28.39 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 2.81 1.28 -0.45 -1.09 0.52 -1.21 -0.71 118.95 120.10 1n3s s ARG 147 Ca 0.58 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.79 1n3s s ARG 147 Cb 0.15 0.53 0.01 0.00 0.52 0.00 0.00 34.95 36.16 1n3s s ARG 147 CO -0.05 -0.54 1.45 -2.14 0.02 0.00 0.00 175.30 174.04 1n3s s PRO 148 N -3.82 3.46 0.35 3.54 0.02 -1.26 -3.92 135.00 133.36 1n3s s PRO 148 Ca 0.05 0.82 0.08 0.00 0.02 0.00 0.00 61.00 61.98 1n3s s PRO 148 Cb -0.00 -4.07 -0.05 0.00 0.02 0.00 0.00 34.50 30.39 1n3s s PRO 148 CO -0.08 -1.72 0.08 -0.65 -0.33 0.00 0.00 177.00 174.30 1n3s s GLN 149 N 5.20 2.19 -0.10 5.54 -1.52 0.30 -4.55 119.66 126.72 1n3s s GLN 149 Ca 0.60 -1.70 0.03 0.00 -1.95 0.00 0.00 55.36 52.33 1n3s s GLN 149 Cb -0.13 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.66 1n3s s GLN 149 CO 0.30 0.09 -0.19 0.08 -0.25 0.00 0.00 175.29 175.32 1n3s s VAL 150 N -2.50 1.72 0.32 1.09 1.01 -1.26 -1.35 120.40 119.43 1n3s s VAL 150 Ca 0.37 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1n3s s VAL 150 Cb -0.00 -1.53 0.30 0.00 0.00 0.00 0.00 36.38 35.15 1n3s s VAL 150 CO 0.21 0.48 1.89 -0.61 0.00 0.00 0.00 175.10 177.08 1n3s h GLN 151 N 7.09 0.85 -0.37 2.72 4.15 -1.99 -0.64 115.11 126.93 1n3s h GLN 151 Ca -0.27 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 58.95 1n3s h GLN 151 Cb 1.20 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1n3s h GLN 151 CO 0.49 0.56 -0.33 0.93 -1.93 0.00 0.00 178.83 178.56 1n3s h GLU 152 N 0.88 0.83 -0.13 1.69 3.07 -1.97 -2.38 114.58 116.58 1n3s h GLU 152 Ca 0.41 -0.40 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1n3s h GLU 152 Cb 0.41 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1n3s h GLU 152 CO -0.18 1.04 -0.18 -0.09 -1.40 0.00 0.00 179.01 178.20 1n3s h ARG 153 N 0.70 0.35 -0.74 2.33 2.43 -1.90 -2.76 114.38 114.79 1n3s h ARG 153 Ca 0.07 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1n3s h ARG 153 Cb 0.88 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1n3s h ARG 153 CO 0.08 0.78 0.40 1.25 -1.51 0.00 0.00 179.97 180.96 1n3s h LEU 154 N -0.06 0.56 -0.24 3.80 5.85 -1.11 0.88 115.31 124.99 1n3s h LEU 154 Ca 0.01 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1n3s h LEU 154 Cb 0.74 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1n3s h LEU 154 CO 0.04 0.33 0.09 0.74 -0.34 0.00 0.00 178.44 179.31 1n3s h THR 155 N 0.69 1.17 -0.44 1.05 2.02 -1.41 -2.28 112.91 113.71 1n3s h THR 155 Ca 0.35 -0.54 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1n3s h THR 155 Cb 0.31 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1n3s h THR 155 CO -0.24 0.18 -0.10 1.56 0.37 0.00 0.00 175.52 177.29 1n3s h GLN 156 N 0.24 0.79 -0.58 6.66 1.08 -1.09 -2.21 115.11 120.01 1n3s h GLN 156 Ca 0.08 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1n3s h GLN 156 Cb 0.19 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1n3s h GLN 156 CO -0.01 0.86 0.29 1.96 -0.95 0.00 0.00 178.83 180.99 1n3s h GLN 157 N 0.72 0.83 -0.29 1.46 4.20 -0.67 -1.02 115.11 120.34 1n3s h GLN 157 Ca 0.12 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1n3s h GLN 157 Cb 0.58 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1n3s h GLN 157 CO 0.04 0.66 -0.25 0.82 -0.67 0.00 0.00 178.83 179.42 1n3s h ILE 158 N 0.79 1.27 0.75 2.54 2.04 -1.27 -1.15 117.51 122.49 1n3s h ILE 158 Ca 0.20 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1n3s h ILE 158 Cb 0.09 1.32 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1n3s h ILE 158 CO -0.03 0.42 -0.36 0.25 0.00 0.00 0.00 178.15 178.43 1n3s h LEU 159 N 0.50 -0.86 -1.31 1.44 5.85 -1.01 -1.71 115.31 118.22 1n3s h LEU 159 Ca 0.07 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1n3s h LEU 159 Cb 0.71 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1n3s h LEU 159 CO 0.05 -0.50 0.51 0.40 -0.34 0.00 0.00 178.44 178.57 1n3s h ILE 160 N -1.25 1.04 -0.00 4.05 1.08 -1.22 0.18 117.51 121.39 1n3s h ILE 160 Ca -0.10 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1n3s h ILE 160 Cb 0.78 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1n3s h ILE 160 CO 0.17 0.15 0.00 0.00 -0.69 0.00 0.00 178.15 177.79 1n3s h ALA 161 N 1.58 0.01 0.00 1.87 0.00 -1.21 -1.23 119.26 120.27 1n3s h ALA 161 Ca 0.33 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1n3s h ALA 161 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n3s h ALA 161 CO -0.11 -0.42 -0.46 -0.07 0.00 0.00 0.00 179.25 178.19 1n3s h LEU 162 N -0.14 0.00 -0.47 0.00 3.38 -0.42 -2.61 115.31 115.05 1n3s h LEU 162 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1n3s h LEU 162 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1n3s h LEU 162 CO -0.00 0.46 -0.51 1.56 0.09 0.00 0.00 178.44 180.04 1n3s h GLN 163 N 0.00 0.69 -0.09 1.13 4.20 -0.48 -2.45 115.11 118.11 1n3s h GLN 163 Ca -0.00 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 1n3s h GLN 163 Cb 0.91 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1n3s h GLN 163 CO 0.06 1.03 -0.10 1.15 -0.67 0.00 0.00 178.83 180.30 1n3s h THR 164 N 0.54 1.36 -0.01 -0.54 2.02 -1.04 -1.47 112.91 113.78 1n3s h THR 164 Ca 0.02 -1.26 -0.12 0.00 0.77 0.00 0.00 66.41 65.82 1n3s h THR 164 Cb 1.07 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 1n3s h THR 164 CO 0.10 0.36 -0.55 -0.07 0.37 0.00 0.00 175.52 175.73 1n3s h LEU 165 N -0.19 0.02 0.00 2.58 3.38 -1.53 -3.14 115.31 116.43 1n3s h LEU 165 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3s h LEU 165 Cb 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1n3s h LEU 165 CO 0.02 0.56 -1.05 0.18 0.09 0.00 0.00 178.44 178.25 1n3s n LEU 166 N -3.89 0.63 -1.41 1.67 4.77 -0.92 -4.98 117.00 112.87 1n3s n LEU 166 Ca -0.01 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1n3s n LEU 166 Cb 0.56 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1n3s n LEU 166 CO 0.41 -0.03 -0.16 0.61 -1.33 0.00 0.00 177.39 176.89 1n3s n GLY 167 N 1.31 0.05 2.99 -0.72 0.00 -0.57 -4.49 105.19 103.75 1n3s n GLY 167 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.62 0.18 -0.61 2.61 2.01 -1.10 -4.93 115.64 111.19 1n3s s THR 168 Ca 0.00 -0.87 0.24 0.00 0.31 0.00 0.00 61.69 61.37 1n3s s THR 168 Cb 0.00 -0.31 0.13 0.00 0.01 0.00 0.00 72.50 72.33 1n3s s THR 168 CO 0.00 -0.44 1.43 0.78 -0.69 0.00 0.00 174.62 175.70 1n3s h ASN 169 N 4.74 0.00 0.00 3.53 2.35 -1.92 -3.40 115.58 120.88 1n3s h ASN 169 Ca -0.32 -0.12 -0.50 0.00 -0.55 0.00 0.00 56.30 54.80 1n3s h ASN 169 Cb 1.21 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.61 1n3s h ASN 169 CO 0.42 0.06 2.44 0.59 -1.65 0.00 0.00 177.43 179.29 1n3s n ASN 170 N -2.29 3.69 -3.98 5.81 3.02 -1.26 -2.52 115.26 117.73 1n3s n ASN 170 Ca 0.04 -2.49 -0.17 0.00 -0.03 0.00 0.00 54.58 51.93 1n3s n ASN 170 Cb 0.46 -1.10 -0.15 0.00 -0.61 0.00 0.00 39.78 38.38 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 4.18 0.54 -0.05 2.41 1.01 -1.21 -1.81 120.40 125.47 1n3s s VAL 171 Ca 0.47 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1n3s s VAL 171 Cb 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1n3s s VAL 171 CO 0.04 0.15 -0.12 0.00 0.00 0.00 0.00 175.10 175.17 1n3s s ALA 172 N -0.15 1.18 -0.05 5.51 0.00 0.15 -1.60 121.76 126.80 1n3s s ALA 172 Ca 0.03 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1n3s s ALA 172 Cb -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1n3s s ALA 172 CO -0.00 0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.85 1n3s s VAL 173 N 0.52 1.05 -0.02 0.00 1.01 0.10 -0.52 120.40 122.55 1n3s s VAL 173 Ca -0.11 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1n3s s VAL 173 Cb -0.14 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1n3s s VAL 173 CO 0.03 0.33 -0.03 -0.55 0.00 0.00 0.00 175.10 174.87 1n3s s SER 174 N 0.56 0.60 -0.13 3.32 0.15 1.00 0.78 113.70 119.98 1n3s s SER 174 Ca -0.12 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1n3s s SER 174 Cb -0.14 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1n3s s SER 174 CO 0.03 -0.01 -0.13 -0.63 1.20 0.00 0.00 173.24 173.70 1n3s s ILE 175 N 0.42 1.41 -0.21 6.45 1.01 -0.33 0.28 121.20 130.23 1n3s s ILE 175 Ca -0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1n3s s ILE 175 Cb -0.08 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1n3s s ILE 175 CO -0.00 0.43 0.03 -0.62 0.00 0.00 0.00 174.94 174.78 1n3s s ASP 176 N 1.37 5.11 0.01 3.58 3.68 0.03 -1.02 116.67 129.43 1n3s s ASP 176 Ca 0.01 -0.13 -0.11 0.00 2.13 0.00 0.00 52.55 54.45 1n3s s ASP 176 Cb -0.13 -1.89 0.01 0.00 -1.45 0.00 0.00 42.92 39.46 1n3s s ASP 176 CO -0.07 0.06 0.21 0.00 0.13 0.00 0.00 175.17 175.51 1n3s s ALA 177 N 1.01 -0.49 -0.21 3.66 0.00 0.71 -0.24 121.76 126.20 1n3s s ALA 177 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1n3s s ALA 177 Cb -0.14 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1n3s s ALA 177 CO 0.02 -0.27 -0.04 0.08 0.00 0.00 0.00 175.76 175.55 1n3s s VAL 178 N -1.74 3.50 -0.30 0.00 1.01 0.12 -0.79 120.40 122.20 1n3s s VAL 178 Ca -0.11 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1n3s s VAL 178 Cb -0.05 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1n3s s VAL 178 CO 0.01 0.43 0.38 -1.00 0.00 0.00 0.00 175.10 174.91 1n3s s HIS 179 N 1.33 3.23 -0.91 5.22 3.76 -1.26 -1.60 115.29 125.05 1n3s s HIS 179 Ca 0.04 0.27 0.16 0.00 -0.15 0.00 0.00 55.06 55.38 1n3s s HIS 179 Cb -0.14 -2.63 0.67 0.00 1.11 0.00 0.00 32.58 31.59 1n3s s HIS 179 CO -0.01 -0.31 1.50 0.66 -0.85 0.00 0.00 174.74 175.73 1n3s n TYR 180 N 5.38 0.14 0.66 1.40 4.02 -0.82 -1.20 117.16 126.74 1n3s n TYR 180 Ca -0.08 0.06 0.13 0.00 -0.01 0.00 0.00 57.90 57.99 1n3s n TYR 180 Cb 0.50 -0.59 0.36 0.00 -0.02 0.00 0.00 39.34 39.59 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 -2.14 1.53 -0.03 0.00 0.31 -0.54 -4.27 118.33 113.20 1n3s n VAL 182 Ca 0.05 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.80 1n3s n VAL 182 Cb 0.42 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 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 -0.51 -0.04 -0.64 5.55 3.64 -1.20 -2.01 116.57 121.36 1n3s h LYS 183 Ca -0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1n3s h LYS 183 Cb 1.74 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1n3s h LYS 183 CO -0.24 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 1n3s n ALA 184 N -2.53 2.40 -3.54 5.00 0.00 -0.42 -3.80 120.51 117.61 1n3s n ALA 184 Ca -0.09 -1.13 -0.09 0.00 0.00 0.00 0.00 53.44 52.13 1n3s n ALA 184 Cb 0.34 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.15 1.10 5.53 0.00 3.52 -1.22 -4.99 118.95 121.73 1n3s s ARG 185 Ca 0.44 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1n3s s ARG 185 Cb 0.23 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 34.09 1n3s s ARG 185 CO 0.30 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1n3s n GLY 186 N -0.34 1.40 0.22 8.12 0.00 -1.26 -2.53 105.19 110.81 1n3s n GLY 186 Ca -0.11 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 0.50 -5.98 -0.61 6.09 -1.83 -3.48 117.51 112.19 1n3s h ILE 187 Ca 0.00 -1.13 -0.38 0.00 -1.37 0.00 0.00 64.86 61.98 1n3s h ILE 187 Cb 0.00 1.79 0.11 0.00 0.47 0.00 0.00 36.82 39.19 1n3s h ILE 187 CO 0.00 0.21 -0.89 0.54 -3.07 0.00 0.00 178.15 174.94 1n3s n ARG 188 N -3.34 -2.60 -3.06 2.19 1.74 -0.95 -4.95 116.66 105.69 1n3s n ARG 188 Ca 0.00 0.61 -0.44 0.00 -0.77 0.00 0.00 57.85 57.26 1n3s n ARG 188 Cb 0.44 -4.89 -0.05 0.00 -1.02 0.00 0.00 32.46 26.95 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 -3.72 6.19 0.51 0.55 -1.08 -0.80 -4.91 116.67 113.41 1n3s s ASP 189 Ca 0.33 -1.20 0.28 0.00 -0.52 0.00 0.00 52.55 51.43 1n3s s ASP 189 Cb -0.09 -2.33 1.34 0.00 -1.46 0.00 0.00 42.92 40.39 1n3s s ASP 189 CO 0.82 -1.14 2.01 0.00 0.52 0.00 0.00 175.17 177.38 1n3s h ALA 190 N 9.23 1.17 0.00 3.66 0.00 -1.88 -3.33 119.26 128.11 1n3s h ALA 190 Ca -0.29 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1n3s h ALA 190 Cb 1.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1n3s h ALA 190 CO 1.09 0.17 -2.01 0.25 0.00 0.00 0.00 179.25 178.75 1n3s n THR 191 N -3.51 0.52 -1.78 0.00 -2.24 -1.26 -5.03 114.28 100.98 1n3s n THR 191 Ca -0.01 -0.57 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 1n3s n THR 191 Cb 0.29 -0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1n3s n THR 191 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n3s s SER 192 N -4.60 5.03 0.07 3.42 0.15 -1.25 -5.07 113.70 111.45 1n3s s SER 192 Ca -0.08 2.11 -0.14 0.00 0.70 0.00 0.00 55.95 58.54 1n3s s SER 192 Cb 0.09 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1n3s s SER 192 CO 0.75 -1.69 0.32 0.00 1.20 0.00 0.00 173.24 173.83 1n3s s ALA 193 N -2.16 -0.72 -0.09 5.45 0.00 -1.26 -4.85 121.76 118.14 1n3s s ALA 193 Ca 0.70 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1n3s s ALA 193 Cb -0.23 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1n3s s ALA 193 CO 0.40 -0.49 -0.22 0.99 0.00 0.00 0.00 175.76 176.44 1n3s s THR 194 N -3.04 1.87 -0.16 0.00 2.01 0.03 -4.96 115.64 111.39 1n3s s THR 194 Ca -0.02 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 1n3s s THR 194 Cb 0.01 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1n3s s THR 194 CO -0.06 0.52 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.39 1n3s s THR 195 N 0.33 3.13 -0.17 -0.82 2.01 -1.26 -0.21 115.64 118.64 1n3s s THR 195 Ca -0.16 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1n3s s THR 195 Cb -0.17 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1n3s s THR 195 CO 0.07 0.49 -0.14 0.42 -0.69 0.00 0.00 174.62 174.77 1n3s s THR 196 N 0.75 1.71 -0.11 -0.82 -4.23 -0.19 -4.99 115.64 107.76 1n3s s THR 196 Ca -0.04 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1n3s s THR 196 Cb -0.15 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1n3s s THR 196 CO 0.02 0.39 -0.23 0.28 -0.54 0.00 0.00 174.62 174.53 1n3s s THR 197 N 1.41 2.03 -0.31 3.99 -1.32 -1.26 -1.19 115.64 118.99 1n3s s THR 197 Ca 0.03 -0.99 -0.04 0.00 -1.21 0.00 0.00 61.69 59.48 1n3s s THR 197 Cb -0.14 -1.77 0.04 0.00 -1.51 0.00 0.00 72.50 69.12 1n3s s THR 197 CO -0.10 0.55 0.04 -0.44 -2.21 0.00 0.00 174.62 172.46 1n3s s SER 198 N 0.49 5.02 -0.13 8.08 0.01 0.23 -4.99 113.70 122.41 1n3s s SER 198 Ca -0.15 -1.14 -0.06 0.00 1.31 0.00 0.00 55.95 55.91 1n3s s SER 198 Cb -0.17 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 1n3s s SER 198 CO 0.06 -0.27 0.07 -0.76 0.41 0.00 0.00 173.24 172.75 1n3s s LEU 199 N 1.33 3.93 0.03 2.44 2.01 -1.26 -0.72 118.68 126.44 1n3s s LEU 199 Ca -0.03 0.23 0.02 0.00 0.01 0.00 0.00 54.13 54.35 1n3s s LEU 199 Cb -0.19 -1.95 -0.02 0.00 0.01 0.00 0.00 46.19 44.03 1n3s s LEU 199 CO 0.00 0.31 -0.06 -0.83 1.01 0.00 0.00 176.35 176.79 1n3s s GLY 200 N -0.46 0.40 0.00 -3.19 0.00 -0.63 -4.62 107.32 98.82 1n3s s GLY 200 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1n3s s GLY 200 CO 0.02 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1n3s n GLY 201 N 1.65 3.48 0.25 0.20 0.00 -1.05 -2.64 105.19 107.08 1n3s n GLY 201 Ca -0.22 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.08 0.99 3.38 -1.91 0.66 115.31 118.35 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 0.07 0.00 0.49 0.09 0.00 0.00 178.44 179.09 1n3s n PHE 203 N -4.37 0.18 0.00 1.13 3.72 -1.08 -3.28 117.46 113.76 1n3s n PHE 203 Ca -0.03 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1n3s n PHE 203 Cb 0.15 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 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 -1.66 0.00 0.31 -1.08 4.81 -0.08 -4.15 118.16 116.31 1n3s n LYS 204 Ca 0.05 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.32 1n3s n LYS 204 Cb 0.26 -0.13 -0.09 0.00 0.02 0.00 0.00 35.03 35.09 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 -0.63 -3.10 3.14 4.64 -1.15 -3.43 113.55 113.02 1n3s h SER 205 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.78 1n3s h SER 205 Cb 0.00 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1n3s h SER 205 CO 0.00 -0.42 0.67 -0.55 -0.87 0.00 0.00 176.83 175.66 1n3s s SER 206 N -4.57 7.04 0.30 4.97 0.15 -1.21 -4.94 113.70 115.45 1n3s s SER 206 Ca -0.17 1.91 0.01 0.00 0.70 0.00 0.00 55.95 58.40 1n3s s SER 206 Cb 0.03 -2.56 0.54 0.00 -1.71 0.00 0.00 66.02 62.32 1n3s s SER 206 CO 0.61 -0.56 1.90 0.06 1.20 0.00 0.00 173.24 176.45 1n3s h GLN 207 N 7.31 0.98 0.63 5.44 3.07 -1.83 -3.20 115.11 127.51 1n3s h GLN 207 Ca -0.37 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.28 1n3s h GLN 207 Cb 1.18 -0.22 0.01 0.00 0.08 0.00 0.00 27.48 28.52 1n3s h GLN 207 CO 0.86 0.65 -0.30 -0.97 0.09 0.00 0.00 178.83 179.16 1n3s h ASN 208 N 1.01 -0.71 0.49 0.06 -1.24 -1.92 -3.26 115.58 110.02 1n3s h ASN 208 Ca 0.41 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.44 1n3s h ASN 208 Cb 0.25 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1n3s h ASN 208 CO -0.16 -0.46 0.00 0.41 -1.29 0.00 0.00 177.43 175.93 1n3s n THR 209 N -4.56 1.02 -0.07 -3.57 -1.04 -1.25 -2.90 114.28 101.92 1n3s n THR 209 Ca -0.10 0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 62.10 1n3s n THR 209 Cb 0.33 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.57 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 0.46 -0.01 -2.82 2.43 -1.59 -2.98 114.38 109.87 1n3s h ARG 210 Ca 0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1n3s h ARG 210 Cb 0.25 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1n3s h ARG 210 CO 0.00 0.80 -0.04 0.72 -1.51 0.00 0.00 179.97 179.94 1n3s n HIS 211 N -4.48 0.00 0.08 2.20 8.25 -1.14 -3.14 115.22 116.99 1n3s n HIS 211 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 1n3s n HIS 211 Cb 0.39 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 31.33 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 1.35 0.15 0.00 -0.41 5.08 -1.48 -3.28 114.58 115.99 1n3s h GLU 212 Ca 0.00 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1n3s h GLU 212 Cb 0.35 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1n3s h GLU 212 CO 0.00 1.11 -0.48 0.35 -1.00 0.00 0.00 179.01 178.99 1n3s h PHE 213 N 0.04 0.00 -0.13 4.33 3.57 -1.61 -3.37 116.94 119.77 1n3s h PHE 213 Ca -0.08 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.46 1n3s h PHE 213 Cb 1.86 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 1n3s h PHE 213 CO 0.04 0.12 0.59 -0.07 -2.23 0.00 0.00 178.31 176.75 1n3s h LEU 214 N -1.00 0.00 0.16 0.59 3.38 -1.73 0.12 115.31 116.84 1n3s h LEU 214 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 1n3s h LEU 214 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1n3s h LEU 214 CO -0.02 0.00 -1.68 -0.09 0.09 0.00 0.00 178.44 176.74 1n3s h ARG 215 N 0.00 0.34 -0.52 1.13 2.43 -1.77 -3.29 114.38 112.69 1n3s h ARG 215 Ca 0.06 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1n3s h ARG 215 Cb 1.24 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1n3s h ARG 215 CO -0.00 1.28 0.00 0.00 -1.51 0.00 0.00 179.97 179.73 1n3s n ALA 216 N -2.91 2.55 -2.11 2.80 0.00 0.37 -4.82 120.51 116.39 1n3s n ALA 216 Ca -0.26 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 1n3s n ALA 216 Cb 1.02 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.52 4.54 -0.21 0.00 1.01 -0.84 -4.71 120.40 118.67 1n3s s VAL 217 Ca 0.04 1.43 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 1n3s s VAL 217 Cb 0.03 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1n3s s VAL 217 CO 0.02 0.44 0.10 -1.14 0.00 0.00 0.00 175.10 174.52 1n3s n ARG 218 N 1.38 -3.49 -4.41 2.72 0.63 -1.26 -5.06 116.66 107.18 1n3s n ARG 218 Ca -0.06 2.76 -0.29 0.00 -0.92 0.00 0.00 57.85 59.34 1n3s n ARG 218 Cb 0.50 -4.52 -0.13 0.00 0.45 0.00 0.00 32.46 28.76 1n3s n ARG 218 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1n3s s HIS 219 N -1.08 2.30 -0.25 -0.14 3.76 -1.26 -5.12 115.29 113.50 1n3s s HIS 219 Ca -0.11 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1n3s s HIS 219 Cb 0.01 -1.25 0.04 0.00 1.11 0.00 0.00 32.58 32.49 1n3s s HIS 219 CO 0.66 0.33 -0.10 -1.58 -0.85 0.00 0.00 174.74 173.19 1n3s s HIS 220 N -1.05 3.14 0.00 1.40 2.46 -1.26 -4.89 115.29 115.09 1n3s s HIS 220 Ca 0.14 -2.00 0.00 0.00 0.47 0.00 0.00 55.06 53.67 1n3s s HIS 220 Cb -0.10 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.38 1n3s s HIS 220 CO 0.06 -0.83 0.00 0.09 -2.47 0.00 0.00 174.74 171.59