#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3t n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.15 113.62 113.63 1n3t n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3t n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3t n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3t n LEU 3 N 0.00 0.00 -3.99 2.46 4.77 -1.26 -4.95 117.00 114.03 1n3t n LEU 3 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1n3t n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3t n LEU 3 CO 0.00 0.00 -0.28 -0.94 -1.33 0.00 0.00 177.39 174.84 1n3t s SER 4 N 1.00 0.31 0.18 -1.43 1.04 -1.26 -5.06 113.70 108.48 1n3t s SER 4 Ca 0.00 -0.73 -0.09 0.00 0.48 0.00 0.00 55.95 55.61 1n3t s SER 4 Cb 0.00 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1n3t s SER 4 CO 0.00 -0.54 1.63 0.11 0.98 0.00 0.00 173.24 175.42 1n3t h LYS 5 N 3.51 1.05 -0.11 4.02 1.57 -2.02 -2.69 116.57 121.90 1n3t h LYS 5 Ca -0.33 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.01 1n3t h LYS 5 Cb 1.17 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1n3t h LYS 5 CO 0.56 1.05 -0.24 0.93 -0.57 0.00 0.00 179.45 181.19 1n3t h GLU 6 N 0.95 0.36 -0.86 3.15 3.07 -1.98 -3.03 114.58 116.24 1n3t h GLU 6 Ca 0.16 -0.24 0.15 0.00 -0.50 0.00 0.00 59.36 58.93 1n3t h GLU 6 Cb 0.61 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.46 1n3t h GLU 6 CO 0.04 0.84 0.45 0.00 -1.40 0.00 0.00 179.01 178.94 1n3t h ALA 7 N 0.52 1.30 0.04 3.43 0.00 -1.92 0.10 119.26 122.73 1n3t h ALA 7 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n3t h ALA 7 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1n3t h ALA 7 CO 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.21 1n3t h ALA 8 N 1.56 -0.93 -0.92 0.00 0.00 -1.49 0.26 119.26 117.74 1n3t h ALA 8 Ca 0.47 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.54 1n3t h ALA 8 Cb 0.66 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.39 1n3t h ALA 8 CO -0.36 -0.93 -0.26 1.28 0.00 0.00 0.00 179.25 178.98 1n3t n LEU 9 N -2.24 -0.40 0.15 0.00 4.77 -0.98 -0.59 117.00 117.71 1n3t n LEU 9 Ca -0.01 1.58 -0.14 0.00 -0.03 0.00 0.00 56.01 57.41 1n3t n LEU 9 Cb 0.02 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1n3t n LEU 9 CO 0.02 -1.49 0.72 0.58 -1.33 0.00 0.00 177.39 175.88 1n3t h VAL 10 N 0.00 0.79 0.42 4.08 2.07 -0.67 -0.06 116.25 122.87 1n3t h VAL 10 Ca 0.41 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1n3t h VAL 10 Cb 0.64 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1n3t h VAL 10 CO -0.93 0.05 -0.38 -0.74 0.02 0.00 0.00 177.57 175.59 1n3t h HIS 11 N -0.46 -1.03 -0.26 1.57 -0.00 0.19 -2.02 115.15 113.14 1n3t h HIS 11 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1n3t h HIS 11 Cb 0.35 0.39 -0.08 0.00 -0.00 0.00 0.00 27.41 28.07 1n3t h HIS 11 CO -0.03 -0.54 -0.33 0.93 -0.00 0.00 0.00 177.93 177.97 1n3t h GLU 12 N -0.81 -0.31 -0.52 5.26 5.08 -0.86 -0.11 114.58 122.31 1n3t h GLU 12 Ca -0.04 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 1n3t h GLU 12 Cb 0.71 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1n3t h GLU 12 CO -0.04 -0.21 0.56 0.00 -1.00 0.00 0.00 179.01 178.32 1n3t h ALA 13 N 0.58 2.26 0.02 3.43 0.00 -0.72 0.10 119.26 124.93 1n3t h ALA 13 Ca 0.13 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1n3t h ALA 13 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1n3t h ALA 13 CO -0.44 -0.83 -1.59 -0.07 0.00 0.00 0.00 179.25 176.32 1n3t h LEU 14 N 0.00 0.06 -0.30 0.00 3.38 -0.31 -3.30 115.31 114.85 1n3t h LEU 14 Ca 0.25 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1n3t h LEU 14 Cb 1.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1n3t h LEU 14 CO -0.00 1.10 -0.30 0.58 0.09 0.00 0.00 178.44 179.90 1n3t h VAL 15 N 0.01 1.30 -0.50 1.22 2.07 0.04 0.20 116.25 120.59 1n3t h VAL 15 Ca -0.24 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 65.90 1n3t h VAL 15 Cb 1.97 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 33.22 1n3t h VAL 15 CO 0.10 0.47 -0.03 0.00 0.02 0.00 0.00 177.57 178.13 1n3t h ALA 16 N 0.71 0.44 -0.00 1.67 0.00 -1.38 0.12 119.26 120.82 1n3t h ALA 16 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1n3t h ALA 16 Cb 0.88 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n3t h ALA 16 CO 0.07 -0.40 -0.04 -2.13 0.00 0.00 0.00 179.25 176.75 1n3t n ARG 17 N -5.27 0.17 -1.48 0.00 3.00 -1.14 -4.90 116.66 107.04 1n3t n ARG 17 Ca 0.05 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.85 57.81 1n3t n ARG 17 Cb 0.27 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.21 1n3t n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3t n GLY 18 N 1.42 0.71 1.96 5.14 0.00 0.40 -4.89 105.19 109.93 1n3t n GLY 18 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1n3t n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3t n LEU 19 N -0.93 5.92 -4.87 0.99 4.77 0.53 -4.93 117.00 118.48 1n3t n LEU 19 Ca -0.08 -3.05 -0.31 0.00 -0.03 0.00 0.00 56.01 52.54 1n3t n LEU 19 Cb 0.34 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1n3t n LEU 19 CO 0.11 0.73 0.35 -1.61 -1.33 0.00 0.00 177.39 175.64 1n3t s GLU 20 N -2.86 3.83 -0.11 3.23 0.41 -1.20 -4.76 118.70 117.25 1n3t s GLU 20 Ca 0.54 0.42 -0.29 0.00 -0.41 0.00 0.00 54.97 55.23 1n3t s GLU 20 Cb 0.42 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 1n3t s GLU 20 CO 0.14 0.14 1.52 0.99 -0.49 0.00 0.00 175.26 177.57 1n3t s THR 21 N -2.08 3.82 -0.93 3.63 2.01 -1.26 -4.84 115.64 116.01 1n3t s THR 21 Ca 0.50 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 63.26 1n3t s THR 21 Cb -0.11 -3.67 -0.23 0.00 0.01 0.00 0.00 72.50 68.51 1n3t s THR 21 CO 0.24 -0.12 2.37 -2.65 -0.69 0.00 0.00 174.62 173.77 1n3t n PRO 22 N 7.04 0.00 -4.38 4.92 -0.02 -1.26 -4.89 135.00 136.40 1n3t n PRO 22 Ca 0.16 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.44 1n3t n PRO 22 Cb 0.44 -1.27 -0.10 0.00 -0.02 0.00 0.00 33.50 32.55 1n3t n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3t s LEU 23 N 6.18 2.57 0.05 2.45 1.02 -1.26 -5.15 118.68 124.53 1n3t s LEU 23 Ca 1.25 -1.02 0.04 0.00 0.02 0.00 0.00 54.13 54.42 1n3t s LEU 23 Cb -1.07 -0.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1n3t s LEU 23 CO 0.47 -0.11 -0.03 -0.60 0.02 0.00 0.00 176.35 176.11 1n3t s ARG 24 N -3.60 2.54 0.01 1.70 3.52 -1.26 -5.06 118.95 116.81 1n3t s ARG 24 Ca 0.25 -0.79 -0.34 0.00 -0.13 0.00 0.00 55.73 54.71 1n3t s ARG 24 Cb -0.02 -2.52 -0.13 0.00 -1.56 0.00 0.00 34.95 30.71 1n3t s ARG 24 CO 0.09 0.57 1.72 -2.30 -0.81 0.00 0.00 175.30 174.57 1n3t n PRO 25 N 1.00 2.07 -0.04 5.12 -0.02 -1.26 -4.81 135.00 137.06 1n3t n PRO 25 Ca -0.13 0.75 0.24 0.00 -2.02 0.00 0.00 63.50 62.35 1n3t n PRO 25 Cb 0.52 -2.55 0.70 0.00 -0.02 0.00 0.00 33.50 32.15 1n3t n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3t h PRO 26 N 7.54 0.00 0.00 0.52 0.11 -2.05 -3.45 132.00 134.66 1n3t h PRO 26 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n3t h PRO 26 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1n3t h PRO 26 CO 0.92 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.99 1n3t n VAL 27 N -3.77 0.00 -4.08 3.15 0.31 -1.26 -4.62 118.33 108.06 1n3t n VAL 27 Ca 0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.14 1n3t n VAL 27 Cb 0.87 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.74 1n3t n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3t s HIS 28 N 0.00 3.28 -1.30 3.52 -3.43 -1.26 -5.03 115.29 111.06 1n3t s HIS 28 Ca 0.00 0.18 -0.12 0.00 -0.80 0.00 0.00 55.06 54.32 1n3t s HIS 28 Cb 0.00 -1.72 0.13 0.00 -1.43 0.00 0.00 32.58 29.57 1n3t s HIS 28 CO 0.00 0.55 1.83 0.39 -2.00 0.00 0.00 174.74 175.51 1n3t n GLU 29 N 0.98 3.36 -1.68 -0.38 1.02 -1.26 -4.98 120.64 117.70 1n3t n GLU 29 Ca -0.12 -3.39 -0.46 0.00 -0.02 0.00 0.00 57.16 53.18 1n3t n GLU 29 Cb 0.52 -3.09 -0.04 0.00 -0.02 0.00 0.00 31.44 28.81 1n3t n GLU 29 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1n3t n MET 30 N 5.27 2.32 -1.24 3.49 0.00 -1.26 -4.80 117.12 120.90 1n3t n MET 30 Ca 0.43 0.84 -0.48 0.00 -0.00 0.00 0.00 57.70 58.49 1n3t n MET 30 Cb 0.39 -2.68 -0.06 0.00 0.00 0.00 0.00 33.22 30.88 1n3t n MET 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1n3t n ASP 31 N 5.37 -0.18 -0.03 6.12 2.03 -1.26 -4.78 116.55 123.82 1n3t n ASP 31 Ca 0.20 0.97 -0.01 0.00 0.52 0.00 0.00 54.79 56.46 1n3t n ASP 31 Cb 0.31 -0.78 0.26 0.00 -0.72 0.00 0.00 41.12 40.20 1n3t n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3t h ASN 32 N 2.23 0.57 0.98 1.67 -1.24 -2.01 -1.52 115.58 116.27 1n3t h ASN 32 Ca -0.40 -0.11 -0.09 0.00 0.71 0.00 0.00 56.30 56.42 1n3t h ASN 32 Cb 1.20 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.09 1n3t h ASN 32 CO 0.53 0.62 -0.41 -0.33 -1.29 0.00 0.00 177.43 176.55 1n3t h GLU 33 N 0.58 0.00 -0.10 6.67 5.08 -2.01 -2.98 114.58 121.82 1n3t h GLU 33 Ca 0.12 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1n3t h GLU 33 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1n3t h GLU 33 CO 0.01 0.41 -0.48 1.15 -1.00 0.00 0.00 179.01 179.10 1n3t h THR 34 N 0.00 1.34 0.00 1.13 2.02 -1.62 -2.84 112.91 112.94 1n3t h THR 34 Ca -0.00 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1n3t h THR 34 Cb 1.01 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1n3t h THR 34 CO 0.05 0.50 0.00 0.03 0.37 0.00 0.00 175.52 176.47 1n3t h ARG 35 N 0.20 0.00 0.19 6.66 3.08 -1.28 -2.78 114.38 120.44 1n3t h ARG 35 Ca 0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 1n3t h ARG 35 Cb 0.92 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.99 1n3t h ARG 35 CO 0.07 0.00 -1.22 0.87 -1.07 0.00 0.00 179.97 178.62 1n3t h LYS 36 N 0.00 0.40 0.00 0.04 1.57 -1.53 -1.51 116.57 115.54 1n3t h LYS 36 Ca 0.00 -0.68 -0.06 0.00 -1.87 0.00 0.00 60.65 58.04 1n3t h LYS 36 Cb 0.73 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1n3t h LYS 36 CO 0.00 1.33 -0.30 0.66 -0.57 0.00 0.00 179.45 180.57 1n3t h SER 37 N -0.12 0.00 0.15 0.86 4.64 -1.51 0.93 113.55 118.49 1n3t h SER 37 Ca -0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1n3t h SER 37 Cb 1.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1n3t h SER 37 CO 0.19 0.30 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.31 1n3t h LEU 38 N 0.00 -0.17 -1.35 5.97 3.38 -1.56 -2.91 115.31 118.68 1n3t h LEU 38 Ca -0.00 -0.31 0.14 0.00 0.09 0.00 0.00 57.88 57.80 1n3t h LEU 38 Cb 0.60 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1n3t h LEU 38 CO 0.04 0.41 0.56 0.40 0.09 0.00 0.00 178.44 179.94 1n3t h ILE 39 N -0.95 0.83 -0.35 1.22 2.04 -1.10 -0.70 117.51 118.49 1n3t h ILE 39 Ca -0.02 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1n3t h ILE 39 Cb 0.46 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1n3t h ILE 39 CO 0.03 0.12 0.23 0.00 0.00 0.00 0.00 178.15 178.53 1n3t h ALA 40 N 1.61 0.44 0.21 1.87 0.00 -0.86 -2.44 119.26 120.09 1n3t h ALA 40 Ca 0.43 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1n3t h ALA 40 Cb 0.75 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1n3t h ALA 40 CO -0.19 -0.10 -0.52 0.78 0.00 0.00 0.00 179.25 179.22 1n3t h GLY 41 N 0.46 -1.19 -0.09 0.00 0.00 -0.92 0.81 103.07 102.14 1n3t h GLY 41 Ca 0.13 0.63 0.28 0.00 0.00 0.00 0.00 47.33 48.37 1n3t h GLY 41 CO -0.03 -0.30 0.78 0.45 0.00 0.00 0.00 176.54 177.44 1n3t h HIS 42 N -0.80 0.00 0.07 5.60 -0.00 -1.29 0.97 115.15 119.69 1n3t h HIS 42 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 1n3t h HIS 42 Cb 0.77 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.19 1n3t h HIS 42 CO -0.41 0.00 -0.58 0.52 -0.00 0.00 0.00 177.93 177.46 1n3t h MET 43 N 0.00 0.14 0.00 2.45 2.86 -0.63 -2.30 114.93 117.46 1n3t h MET 43 Ca 0.45 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1n3t h MET 43 Cb 2.01 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.76 1n3t h MET 43 CO -0.00 1.12 0.16 2.41 1.06 0.00 0.00 176.91 181.65 1n3t n THR 44 N -4.33 0.84 -0.07 2.22 -1.04 0.30 -1.02 114.28 111.18 1n3t n THR 44 Ca -0.15 0.73 -0.22 0.00 -2.04 0.00 0.00 64.05 62.37 1n3t n THR 44 Cb 0.68 -1.73 -0.12 0.00 -1.82 0.00 0.00 70.33 67.33 1n3t n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1n3t n GLU 45 N -2.12 0.65 -0.30 -2.82 -0.58 0.81 -3.74 120.64 112.53 1n3t n GLU 45 Ca -0.01 0.36 -0.04 0.00 -0.42 0.00 0.00 57.16 57.05 1n3t n GLU 45 Cb 0.18 -1.67 0.10 0.00 -0.57 0.00 0.00 31.44 29.48 1n3t n GLU 45 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1n3t h ILE 46 N -0.47 1.26 -0.23 -3.67 2.04 -0.52 -0.75 117.51 115.17 1n3t h ILE 46 Ca -0.46 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 1n3t h ILE 46 Cb 1.70 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1n3t h ILE 46 CO -0.11 0.31 -0.15 0.24 0.00 0.00 0.00 178.15 178.43 1n3t h MET 47 N 1.19 0.38 0.00 2.37 2.86 -1.27 -2.67 114.93 117.81 1n3t h MET 47 Ca 0.29 -0.11 -0.21 0.00 -2.06 0.00 0.00 59.70 57.61 1n3t h MET 47 Cb 0.11 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1n3t h MET 47 CO -0.04 0.54 -0.92 1.96 1.06 0.00 0.00 176.91 179.51 1n3t h GLN 48 N 0.36 0.31 0.00 1.72 4.20 -1.48 -1.63 115.11 118.58 1n3t h GLN 48 Ca 0.07 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1n3t h GLN 48 Cb 0.48 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1n3t h GLN 48 CO 0.03 1.04 0.00 1.28 -0.67 0.00 0.00 178.83 180.51 1n3t n LEU 49 N -3.70 0.00 -0.15 1.46 4.77 -0.35 -0.80 117.00 118.22 1n3t n LEU 49 Ca -0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1n3t n LEU 49 Cb 0.83 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.93 1n3t n LEU 49 CO 0.50 0.00 0.33 0.18 -1.33 0.00 0.00 177.39 177.07 1n3t n LEU 50 N -0.99 1.42 -1.61 2.23 4.77 -1.09 -5.00 117.00 116.73 1n3t n LEU 50 Ca 0.11 -1.11 -0.11 0.00 -0.03 0.00 0.00 56.01 54.87 1n3t n LEU 50 Cb 0.05 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1n3t n LEU 50 CO 0.08 0.32 0.01 0.59 -1.33 0.00 0.00 177.39 177.06 1n3t n ASN 51 N 0.17 -3.78 -4.55 -1.43 3.02 0.02 -5.00 115.26 103.71 1n3t n ASN 51 Ca 0.02 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.01 1n3t n ASN 51 Cb 0.12 -2.65 -0.07 0.00 -0.61 0.00 0.00 39.78 36.56 1n3t n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3t s LEU 52 N -3.51 4.38 -0.83 3.41 1.43 -0.64 -4.97 118.68 117.95 1n3t s LEU 52 Ca 0.16 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.93 1n3t s LEU 52 Cb -0.07 -2.64 -0.17 0.00 0.03 0.00 0.00 46.19 43.35 1n3t s LEU 52 CO 0.19 -0.56 2.35 -0.67 0.23 0.00 0.00 176.35 177.89 1n3t n ASP 53 N 5.88 1.40 0.00 2.29 2.03 -1.26 -4.62 116.55 122.27 1n3t n ASP 53 Ca -0.04 -1.49 0.01 0.00 0.52 0.00 0.00 54.79 53.79 1n3t n ASP 53 Cb 0.49 -1.55 0.07 0.00 -0.72 0.00 0.00 41.12 39.41 1n3t n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1n3t n LEU 54 N 17.43 0.00 0.10 -2.67 4.77 -1.26 -1.69 117.00 133.68 1n3t n LEU 54 Ca 0.48 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 1n3t n LEU 54 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1n3t n LEU 54 CO 0.60 0.00 0.28 0.00 -1.33 0.00 0.00 177.39 176.95 1n3t h ALA 55 N 2.00 0.55 -2.35 -1.18 0.00 -1.96 -3.37 119.26 112.96 1n3t h ALA 55 Ca 0.00 -0.67 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 1n3t h ALA 55 Cb 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 17.80 1n3t h ALA 55 CO 0.00 0.90 0.60 -3.47 0.00 0.00 0.00 179.25 177.28 1n3t n ASP 56 N -3.25 2.74 0.06 0.00 2.03 -0.68 -4.87 116.55 112.58 1n3t n ASP 56 Ca 0.00 1.15 0.07 0.00 0.52 0.00 0.00 54.79 56.53 1n3t n ASP 56 Cb 0.83 -1.43 0.32 0.00 -0.72 0.00 0.00 41.12 40.11 1n3t n ASP 56 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1n3t n ASP 57 N 2.00 0.25 -0.08 1.67 5.75 -1.26 -1.56 116.55 123.31 1n3t n ASP 57 Ca 0.11 0.58 -0.08 0.00 -0.01 0.00 0.00 54.79 55.39 1n3t n ASP 57 Cb 0.32 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 1n3t n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n3t n SER 58 N -1.80 1.86 0.21 -1.12 2.88 -1.26 -4.50 113.62 109.89 1n3t n SER 58 Ca 0.01 0.35 0.13 0.00 -1.33 0.00 0.00 58.87 58.04 1n3t n SER 58 Cb 0.11 -0.75 0.75 0.00 -0.75 0.00 0.00 64.21 63.57 1n3t n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3t h LEU 59 N -0.97 0.00 -0.24 2.46 3.38 -1.89 -2.95 115.31 115.11 1n3t h LEU 59 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1n3t h LEU 59 Cb 0.91 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1n3t h LEU 59 CO 0.00 0.00 -0.50 -0.03 0.09 0.00 0.00 178.44 178.00 1n3t h MET 60 N 0.00 -0.43 0.00 1.13 4.05 -1.46 -1.77 114.93 116.46 1n3t h MET 60 Ca 0.06 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1n3t h MET 60 Cb 0.27 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1n3t h MET 60 CO -0.00 -0.29 -0.12 0.93 0.23 0.00 0.00 176.91 177.66 1n3t h GLU 61 N -0.45 0.00 -0.58 0.39 4.39 -1.76 -3.34 114.58 113.23 1n3t h GLU 61 Ca 0.05 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1n3t h GLU 61 Cb 0.58 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 1n3t h GLU 61 CO -0.46 0.12 -0.32 2.41 -1.16 0.00 0.00 179.01 179.60 1n3t n THR 62 N -4.26 -0.38 -0.29 1.13 -1.04 -0.66 -0.89 114.28 107.89 1n3t n THR 62 Ca -0.03 1.40 0.10 0.00 -2.04 0.00 0.00 64.05 63.49 1n3t n THR 62 Cb 0.20 -1.76 0.26 0.00 -1.82 0.00 0.00 70.33 67.21 1n3t n THR 62 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1n3t h PRO 63 N 0.00 0.38 0.00 -2.82 0.11 -1.74 0.37 132.00 128.29 1n3t h PRO 63 Ca 0.12 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 1n3t h PRO 63 Cb 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1n3t h PRO 63 CO -0.56 0.25 -0.37 1.25 -0.21 0.00 0.00 178.00 178.36 1n3t h HIS 64 N 0.39 0.00 -0.07 0.65 -0.00 -1.29 -2.15 115.15 112.68 1n3t h HIS 64 Ca 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.84 1n3t h HIS 64 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.32 1n3t h HIS 64 CO -0.17 0.37 -0.09 0.00 -0.00 0.00 0.00 177.93 178.05 1n3t h ARG 65 N 0.00 0.18 -0.77 5.26 3.08 0.02 -1.66 114.38 120.49 1n3t h ARG 65 Ca -0.00 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1n3t h ARG 65 Cb 0.85 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1n3t h ARG 65 CO 0.05 0.64 0.29 0.82 -1.07 0.00 0.00 179.97 180.70 1n3t h ILE 66 N -0.27 1.26 0.76 2.04 2.04 -0.91 0.22 117.51 122.65 1n3t h ILE 66 Ca 0.01 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1n3t h ILE 66 Cb 0.62 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1n3t h ILE 66 CO 0.02 0.34 -0.48 0.00 0.00 0.00 0.00 178.15 178.03 1n3t h ALA 67 N 1.15 -1.26 -0.58 1.87 0.00 -1.38 -1.41 119.26 117.65 1n3t h ALA 67 Ca 0.25 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1n3t h ALA 67 Cb 0.25 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1n3t h ALA 67 CO -0.02 -1.22 0.10 -0.22 0.00 0.00 0.00 179.25 177.89 1n3t h LYS 68 N -1.16 0.22 -0.57 0.00 3.11 -1.10 0.13 116.57 117.20 1n3t h LYS 68 Ca -0.10 -0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.85 1n3t h LYS 68 Cb 0.94 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.09 1n3t h LYS 68 CO 0.09 0.14 0.39 1.98 -2.81 0.00 0.00 179.45 179.25 1n3t h MET 69 N 0.23 0.20 0.07 1.90 4.05 -0.22 0.34 114.93 121.50 1n3t h MET 69 Ca 0.30 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1n3t h MET 69 Cb 0.45 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1n3t h MET 69 CO -0.41 0.13 -0.03 1.88 0.23 0.00 0.00 176.91 178.72 1n3t h TYR 70 N 0.21 -0.09 0.14 1.39 0.05 0.33 -0.88 116.97 118.13 1n3t h TYR 70 Ca 0.27 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 1n3t h TYR 70 Cb 0.78 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1n3t h TYR 70 CO -0.00 0.25 -0.07 0.28 -1.05 0.00 0.00 178.16 177.58 1n3t h VAL 71 N -0.99 1.02 0.00 -2.88 2.07 -1.19 -3.29 116.25 110.98 1n3t h VAL 71 Ca -0.01 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1n3t h VAL 71 Cb 0.38 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1n3t h VAL 71 CO 0.02 0.19 -0.97 0.44 0.02 0.00 0.00 177.57 177.26 1n3t h ASP 72 N -0.58 0.00 0.00 0.57 3.32 -1.14 -3.39 116.42 115.21 1n3t h ASP 72 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1n3t h ASP 72 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1n3t h ASP 72 CO 0.03 0.16 0.00 -0.62 -1.72 0.00 0.00 179.24 177.09 1n3t n GLU 73 N -2.80 0.00 0.07 3.56 1.02 -1.07 -4.55 120.64 116.87 1n3t n GLU 73 Ca -0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1n3t n GLU 73 Cb 0.62 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.12 1n3t n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1n3t n ILE 74 N 0.00 0.46 -0.22 -3.67 -5.35 -0.36 -0.05 119.36 110.18 1n3t n ILE 74 Ca 0.00 0.60 0.00 0.00 -0.27 0.00 0.00 62.75 63.08 1n3t n ILE 74 Cb 0.00 -1.60 0.00 0.00 -1.74 0.00 0.00 39.64 36.30 1n3t n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n3t n PHE 75 N -1.47 0.00 0.21 4.28 3.72 -1.24 -3.21 117.46 119.75 1n3t n PHE 75 Ca -0.00 -0.17 0.16 0.00 -0.05 0.00 0.00 57.45 57.39 1n3t n PHE 75 Cb 0.43 -0.02 0.68 0.00 -0.94 0.00 0.00 39.48 39.64 1n3t n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3t h SER 76 N 0.00 0.00 0.26 4.37 4.64 -0.56 -0.05 113.55 122.21 1n3t h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3t h SER 76 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1n3t h SER 76 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1n3t n GLY 77 N -1.38 -0.74 0.14 -0.77 0.00 -0.73 -2.40 105.19 99.31 1n3t n GLY 77 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1n3t n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3t h LEU 78 N 0.00 0.00 -8.88 0.99 3.38 -1.12 -3.44 115.31 106.25 1n3t h LEU 78 Ca 0.00 -0.04 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 1n3t h LEU 78 Cb 0.13 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.70 1n3t h LEU 78 CO 0.00 0.02 -0.54 -0.62 0.09 0.00 0.00 178.44 177.40 1n3t s ASP 79 N -5.23 5.89 0.00 -0.43 -1.08 -1.01 -4.95 116.67 109.85 1n3t s ASP 79 Ca 0.06 -0.03 0.20 0.00 -0.52 0.00 0.00 52.55 52.26 1n3t s ASP 79 Cb 0.09 -2.09 1.05 0.00 -1.46 0.00 0.00 42.92 40.52 1n3t s ASP 79 CO 0.69 -0.04 1.61 -1.22 0.52 0.00 0.00 175.17 176.73 1n3t n TYR 80 N 4.97 0.00 1.23 -5.34 4.02 -1.26 -2.05 117.16 118.73 1n3t n TYR 80 Ca -0.14 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.79 1n3t n TYR 80 Cb 0.52 -0.22 0.27 0.00 -0.02 0.00 0.00 39.34 39.89 1n3t n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3t n ALA 81 N -1.22 2.17 0.11 -0.72 0.00 -1.26 -1.89 120.51 117.71 1n3t n ALA 81 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1n3t n ALA 81 Cb 0.14 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1n3t n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n3t n ASN 82 N -0.73 0.60 -4.65 0.00 3.02 -0.87 -5.04 115.26 107.59 1n3t n ASN 82 Ca 0.07 -0.80 -0.48 0.00 -0.03 0.00 0.00 54.58 53.34 1n3t n ASN 82 Cb 0.03 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1n3t n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n3t n PHE 83 N -0.53 2.07 -1.73 3.10 7.35 -0.79 -4.88 117.46 122.04 1n3t n PHE 83 Ca 0.01 0.36 -0.42 0.00 -0.76 0.00 0.00 57.45 56.64 1n3t n PHE 83 Cb 0.05 -2.49 -0.01 0.00 0.35 0.00 0.00 39.48 37.38 1n3t n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1n3t n PRO 84 N 3.35 2.39 -1.96 -7.13 -0.04 -1.26 -4.90 135.00 125.45 1n3t n PRO 84 Ca 0.18 0.84 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 1n3t n PRO 84 Cb 0.26 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 1n3t n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3t s LYS 85 N -1.54 3.48 0.12 0.54 1.02 -1.26 -4.96 119.74 117.14 1n3t s LYS 85 Ca 0.58 1.64 -0.26 0.00 0.02 0.00 0.00 55.97 57.95 1n3t s LYS 85 Cb -0.54 -4.17 -0.07 0.00 -0.52 0.00 0.00 37.83 32.53 1n3t s LYS 85 CO 0.59 -1.68 0.82 0.42 -0.92 0.00 0.00 175.35 174.57 1n3t s ILE 86 N 6.48 4.50 -0.03 2.17 1.01 -1.26 -4.99 121.20 129.08 1n3t s ILE 86 Ca 0.81 1.77 0.01 0.00 0.00 0.00 0.00 60.65 63.24 1n3t s ILE 86 Cb -0.26 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.06 1n3t s ILE 86 CO 0.33 0.43 -0.02 0.42 0.00 0.00 0.00 174.94 176.09 1n3t s THR 87 N -0.53 0.36 0.08 2.92 -4.23 -1.26 -5.10 115.64 107.87 1n3t s THR 87 Ca 0.39 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1n3t s THR 87 Cb -0.22 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 1n3t s THR 87 CO 0.26 0.18 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.64 1n3t s LEU 88 N 0.88 2.33 0.11 4.79 1.43 -1.26 -1.56 118.68 125.39 1n3t s LEU 88 Ca -0.10 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.40 1n3t s LEU 88 Cb -0.13 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 1n3t s LEU 88 CO -0.01 -0.16 -0.17 -0.63 0.23 0.00 0.00 176.35 175.60 1n3t s ILE 89 N -1.74 2.88 0.40 -0.59 1.01 0.00 -4.93 121.20 118.22 1n3t s ILE 89 Ca -0.00 -1.46 -0.27 0.00 0.00 0.00 0.00 60.65 58.92 1n3t s ILE 89 Cb -0.07 -2.31 -0.09 0.00 0.01 0.00 0.00 42.46 39.99 1n3t s ILE 89 CO 0.01 0.12 1.38 -0.70 0.00 0.00 0.00 174.94 175.75 1n3t s GLU 90 N -2.10 3.98 -1.31 2.79 2.12 -1.26 -0.12 118.70 122.81 1n3t s GLU 90 Ca 0.18 2.34 -0.14 0.00 0.36 0.00 0.00 54.97 57.70 1n3t s GLU 90 Cb -0.11 -2.83 0.11 0.00 0.26 0.00 0.00 34.13 31.57 1n3t s GLU 90 CO 0.10 -0.54 1.80 -1.71 -0.54 0.00 0.00 175.26 174.37 1n3t n ASN 91 N 0.22 4.80 0.08 -1.70 5.15 -0.67 -4.66 115.26 118.49 1n3t n ASN 91 Ca 0.03 -2.96 -0.00 0.00 -0.60 0.00 0.00 54.58 51.05 1n3t n ASN 91 Cb 0.42 -1.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.00 1n3t n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3t h LYS 92 N 6.72 0.00 0.00 1.20 1.57 -1.90 -3.15 116.57 121.00 1n3t h LYS 92 Ca 0.43 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1n3t h LYS 92 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1n3t h LYS 92 CO 1.54 0.51 -0.02 0.52 -0.57 0.00 0.00 179.45 181.42 1n3t h MET 93 N 0.00 0.00 -4.79 3.15 2.86 -2.01 -3.47 114.93 110.67 1n3t h MET 93 Ca -0.07 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.37 1n3t h MET 93 Cb 1.54 0.00 0.14 0.00 0.06 0.00 0.00 31.60 33.34 1n3t h MET 93 CO 0.07 0.02 -0.62 1.63 1.06 0.00 0.00 176.91 179.07 1n3t n LYS 94 N -3.11 -2.28 -2.42 1.72 4.01 -1.19 -4.94 118.16 109.94 1n3t n LYS 94 Ca 0.01 0.64 -0.43 0.00 -0.51 0.00 0.00 58.31 58.02 1n3t n LYS 94 Cb 0.37 -4.76 -0.02 0.00 -0.51 0.00 0.00 35.03 30.10 1n3t n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3t s VAL 95 N -3.28 4.01 -0.21 -0.18 1.01 -1.26 -4.84 120.40 115.66 1n3t s VAL 95 Ca 0.28 1.06 0.16 0.00 0.00 0.00 0.00 61.98 63.47 1n3t s VAL 95 Cb -0.04 -4.29 0.57 0.00 0.00 0.00 0.00 36.38 32.62 1n3t s VAL 95 CO 0.55 -0.77 1.47 -0.90 0.00 0.00 0.00 175.10 175.44 1n3t n ASP 96 N 8.40 4.13 -4.41 3.32 5.75 -1.26 -4.17 116.55 128.31 1n3t n ASP 96 Ca 0.15 -2.99 -0.30 0.00 -0.01 0.00 0.00 54.79 51.64 1n3t n ASP 96 Cb 0.48 -0.56 -0.13 0.00 -1.03 0.00 0.00 41.12 39.88 1n3t n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3t s GLU 97 N -2.79 1.71 0.34 0.11 0.41 -1.26 -4.99 118.70 112.22 1n3t s GLU 97 Ca 0.44 -1.18 -0.29 0.00 -0.41 0.00 0.00 54.97 53.53 1n3t s GLU 97 Cb 0.35 -2.02 -0.10 0.00 -1.78 0.00 0.00 34.13 30.58 1n3t s GLU 97 CO 0.10 0.49 1.36 0.00 -0.49 0.00 0.00 175.26 176.72 1n3t s MET 98 N -1.73 4.29 -0.16 1.61 0.23 -1.26 -4.52 119.30 117.75 1n3t s MET 98 Ca 0.14 2.31 -0.05 0.00 -1.03 0.00 0.00 55.69 57.06 1n3t s MET 98 Cb -0.10 -3.05 -0.03 0.00 -1.53 0.00 0.00 34.83 30.12 1n3t s MET 98 CO 0.05 -0.29 0.00 0.08 -2.03 0.00 0.00 175.02 172.84 1n3t s VAL 99 N -1.07 4.26 0.18 5.16 1.01 0.29 -4.92 120.40 125.30 1n3t s VAL 99 Ca 0.50 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.37 1n3t s VAL 99 Cb -0.42 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1n3t s VAL 99 CO 0.55 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 175.03 1n3t s THR 100 N 0.34 2.50 -0.16 3.92 2.01 -1.26 -1.90 115.64 121.08 1n3t s THR 100 Ca -0.01 -1.92 -0.03 0.00 0.31 0.00 0.00 61.69 60.04 1n3t s THR 100 Cb -0.13 -2.19 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1n3t s THR 100 CO 0.02 -0.08 0.03 -0.69 -0.69 0.00 0.00 174.62 173.20 1n3t s VAL 101 N -1.59 0.46 0.21 3.82 1.01 -0.44 -5.02 120.40 118.85 1n3t s VAL 101 Ca 0.21 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1n3t s VAL 101 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1n3t s VAL 101 CO 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 175.10 175.19 1n3t s ARG 102 N 1.90 2.58 -1.27 2.72 1.70 -1.26 -2.03 118.95 123.30 1n3t s ARG 102 Ca 0.01 -1.12 -0.00 0.00 -0.47 0.00 0.00 55.73 54.15 1n3t s ARG 102 Cb -0.16 -2.41 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 1n3t s ARG 102 CO -0.07 0.43 0.81 -0.25 -1.08 0.00 0.00 175.30 175.14 1n3t n ASP 103 N -0.55 -1.55 -4.71 -2.89 8.00 -1.22 -4.96 116.55 108.67 1n3t n ASP 103 Ca -0.08 -0.75 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 1n3t n ASP 103 Cb 0.56 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.20 1n3t n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3t s ILE 104 N -3.55 4.58 0.10 0.53 1.01 -0.27 -4.81 121.20 118.79 1n3t s ILE 104 Ca 0.02 1.85 -0.31 0.00 0.00 0.00 0.00 60.65 62.21 1n3t s ILE 104 Cb -0.01 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1n3t s ILE 104 CO 0.78 0.14 1.66 -0.89 0.00 0.00 0.00 174.94 176.63 1n3t s THR 105 N 1.08 2.87 -0.16 2.92 2.01 -1.26 -1.57 115.64 121.53 1n3t s THR 105 Ca 0.54 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 1n3t s THR 105 Cb -0.24 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.04 1n3t s THR 105 CO 0.28 0.01 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.95 1n3t s LEU 106 N 2.32 1.48 -0.26 4.42 0.20 -0.57 -4.71 118.68 121.55 1n3t s LEU 106 Ca 0.74 -0.61 -0.03 0.00 0.69 0.00 0.00 54.13 54.92 1n3t s LEU 106 Cb -0.42 -0.85 0.02 0.00 -0.43 0.00 0.00 46.19 44.51 1n3t s LEU 106 CO 0.33 -0.19 -0.02 0.42 -0.29 0.00 0.00 176.35 176.60 1n3t s THR 107 N 1.68 3.23 0.13 3.68 -4.23 -1.26 -2.12 115.64 116.75 1n3t s THR 107 Ca 0.01 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1n3t s THR 107 Cb -0.15 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 1n3t s THR 107 CO -0.08 0.19 0.08 -0.24 -0.54 0.00 0.00 174.62 174.03 1n3t n SER 108 N 4.74 0.31 -3.69 3.99 2.88 -0.08 -4.36 113.62 117.41 1n3t n SER 108 Ca -0.16 -1.76 -0.16 0.00 -1.33 0.00 0.00 58.87 55.46 1n3t n SER 108 Cb 0.48 0.49 -0.15 0.00 -0.75 0.00 0.00 64.21 64.27 1n3t n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3t s THR 109 N -2.30 -0.20 0.24 2.46 2.01 -1.26 -0.58 115.64 116.02 1n3t s THR 109 Ca 0.11 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1n3t s THR 109 Cb 0.01 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 1n3t s THR 109 CO 0.08 0.12 1.26 0.00 -0.69 0.00 0.00 174.62 175.40 1n3t h GLU 111 N 4.64 0.00 -0.01 0.00 4.11 -0.69 -0.13 114.58 122.49 1n3t h GLU 111 Ca -0.46 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.84 1n3t h GLU 111 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1n3t h GLU 111 CO 0.72 0.01 -0.61 0.45 0.07 0.00 0.00 179.01 179.66 1n3t h HIS 112 N 0.00 0.07 0.00 2.06 3.86 -1.90 -3.38 115.15 115.85 1n3t h HIS 112 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1n3t h HIS 112 Cb 0.51 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1n3t h HIS 112 CO 0.00 0.65 -0.61 0.72 0.86 0.00 0.00 177.93 179.54 1n3t n HIS 113 N -3.83 0.00 -1.52 2.45 8.25 -1.20 -5.00 115.22 114.37 1n3t n HIS 113 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1n3t n HIS 113 Cb 0.61 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 1n3t n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1n3t n PHE 114 N -0.96 -0.05 -3.77 4.41 3.01 -0.07 -5.04 117.46 114.99 1n3t n PHE 114 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1n3t n PHE 114 Cb 0.03 -1.06 -0.05 0.00 -0.01 0.00 0.00 39.48 38.39 1n3t n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3t s VAL 115 N -2.10 5.27 0.47 -4.37 1.01 -1.25 -4.86 120.40 114.56 1n3t s VAL 115 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 1n3t s VAL 115 Cb 0.00 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1n3t s VAL 115 CO 0.00 0.14 0.60 0.41 0.00 0.00 0.00 175.10 176.26 1n3t n THR 116 N 0.38 2.01 -3.81 3.92 -1.04 -1.26 -1.95 114.28 112.52 1n3t n THR 116 Ca -0.05 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 1n3t n THR 116 Cb 0.52 -0.67 -0.17 0.00 -1.82 0.00 0.00 70.33 68.19 1n3t n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3t s ILE 117 N -1.53 0.60 -0.20 12.58 1.01 0.26 -2.62 121.20 131.31 1n3t s ILE 117 Ca 0.65 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 1n3t s ILE 117 Cb -0.55 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1n3t s ILE 117 CO 0.57 0.27 -0.07 -0.62 0.00 0.00 0.00 174.94 175.09 1n3t s ASP 118 N 1.88 4.17 0.21 3.58 2.15 -0.68 -0.90 116.67 127.08 1n3t s ASP 118 Ca 0.05 -0.40 -0.23 0.00 0.43 0.00 0.00 52.55 52.40 1n3t s ASP 118 Cb -0.13 -1.70 0.05 0.00 -0.30 0.00 0.00 42.92 40.84 1n3t s ASP 118 CO -0.06 0.01 0.74 -0.83 -0.17 0.00 0.00 175.17 174.86 1n3t s GLY 119 N 1.27 -0.28 0.03 2.66 0.00 -0.90 0.39 107.32 110.48 1n3t s GLY 119 Ca 0.03 0.06 0.08 0.00 0.00 0.00 0.00 44.72 44.90 1n3t s GLY 119 CO -0.03 0.02 -0.24 0.54 0.00 0.00 0.00 173.10 173.39 1n3t s LYS 120 N -3.72 1.95 0.03 2.90 3.01 0.16 -1.51 119.74 122.56 1n3t s LYS 120 Ca 0.08 -1.03 0.08 0.00 -1.01 0.00 0.00 55.97 54.09 1n3t s LYS 120 Cb -0.04 -2.06 -0.02 0.00 -1.01 0.00 0.00 37.83 34.70 1n3t s LYS 120 CO -0.00 0.53 -0.22 0.00 0.51 0.00 0.00 175.35 176.17 1n3t s ALA 121 N -0.79 1.86 -0.25 5.17 0.00 -0.61 -0.44 121.76 126.71 1n3t s ALA 121 Ca 0.12 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1n3t s ALA 121 Cb -0.10 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.68 1n3t s ALA 121 CO 0.02 0.43 -0.11 0.99 0.00 0.00 0.00 175.76 177.09 1n3t s THR 122 N -0.73 2.04 0.04 0.00 2.01 0.76 -1.11 115.64 118.65 1n3t s THR 122 Ca 0.09 -1.48 0.02 0.00 0.31 0.00 0.00 61.69 60.62 1n3t s THR 122 Cb -0.09 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1n3t s THR 122 CO 0.01 0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.35 1n3t s VAL 123 N 1.18 4.59 -0.09 3.82 1.01 -0.86 -1.83 120.40 128.21 1n3t s VAL 123 Ca -0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1n3t s VAL 123 Cb -0.19 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1n3t s VAL 123 CO -0.06 0.23 0.34 0.00 0.00 0.00 0.00 175.10 175.61 1n3t s ALA 124 N -1.29 -0.84 0.09 5.51 0.00 -0.23 -1.32 121.76 123.67 1n3t s ALA 124 Ca 0.26 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 1n3t s ALA 124 Cb -0.12 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1n3t s ALA 124 CO 0.18 -0.20 0.42 1.52 0.00 0.00 0.00 175.76 177.69 1n3t s TYR 125 N -0.33 -0.26 -0.50 0.00 1.13 -0.80 -0.29 117.35 116.30 1n3t s TYR 125 Ca -0.05 0.09 -0.10 0.00 -1.41 0.00 0.00 57.07 55.61 1n3t s TYR 125 Cb -0.03 0.26 0.13 0.00 -1.10 0.00 0.00 41.96 41.21 1n3t s TYR 125 CO 0.02 -0.65 0.38 0.42 -2.51 0.00 0.00 175.55 173.21 1n3t s ILE 126 N -3.15 4.36 0.48 -3.49 1.01 -0.88 -0.55 121.20 118.98 1n3t s ILE 126 Ca -0.01 -1.81 -0.20 0.00 0.00 0.00 0.00 60.65 58.63 1n3t s ILE 126 Cb 0.00 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.50 1n3t s ILE 126 CO -0.07 -0.80 0.28 -2.65 0.00 0.00 0.00 174.94 171.70 1n3t n PRO 127 N 4.87 0.30 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.81 1n3t n PRO 127 Ca -0.07 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1n3t n PRO 127 Cb 0.41 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1n3t n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3t n LYS 128 N 0.78 0.00 0.01 -0.52 4.81 -1.26 -4.74 118.16 117.24 1n3t n LYS 128 Ca 0.11 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.65 1n3t n LYS 128 Cb 0.44 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.44 1n3t n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3t n ASP 129 N -0.13 0.63 -3.98 3.14 8.00 -1.26 -4.81 116.55 118.14 1n3t n ASP 129 Ca 0.00 -0.45 -0.09 0.00 0.71 0.00 0.00 54.79 54.96 1n3t n ASP 129 Cb 0.00 1.05 -0.08 0.00 -0.02 0.00 0.00 41.12 42.07 1n3t n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3t s SER 130 N -3.66 0.11 -0.09 -2.24 1.04 -1.26 -1.68 113.70 105.92 1n3t s SER 130 Ca 0.03 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.62 1n3t s SER 130 Cb 0.15 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1n3t s SER 130 CO 0.84 -0.83 -0.24 -0.69 0.98 0.00 0.00 173.24 173.30 1n3t s VAL 131 N -3.96 2.03 0.28 5.02 1.01 0.84 -4.68 120.40 120.94 1n3t s VAL 131 Ca 0.16 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1n3t s VAL 131 Cb 0.04 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 1n3t s VAL 131 CO -0.02 0.56 0.69 -0.63 0.00 0.00 0.00 175.10 175.69 1n3t s ILE 132 N 0.26 4.72 -0.02 2.22 1.01 -1.26 -0.82 121.20 127.32 1n3t s ILE 132 Ca -0.16 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1n3t s ILE 132 Cb -0.17 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 1n3t s ILE 132 CO 0.08 -0.09 1.64 -0.83 0.00 0.00 0.00 174.94 175.73 1n3t s GLY 133 N -2.19 1.57 0.17 6.18 0.00 -0.60 -4.89 107.32 107.56 1n3t s GLY 133 Ca 0.51 1.01 -0.18 0.00 0.00 0.00 0.00 44.72 46.06 1n3t s GLY 133 CO 0.19 2.96 1.25 1.04 0.00 0.00 0.00 173.10 178.54 1n3t n LEU 134 N 6.59 -0.63 -0.18 0.66 4.77 -1.26 -0.48 117.00 126.47 1n3t n LEU 134 Ca 0.17 1.42 0.24 0.00 -0.03 0.00 0.00 56.01 57.80 1n3t n LEU 134 Cb 0.42 -0.28 0.64 0.00 -2.33 0.00 0.00 43.42 41.88 1n3t n LEU 134 CO 0.62 -1.24 1.24 0.77 -1.33 0.00 0.00 177.39 177.45 1n3t h SER 135 N 0.00 0.15 -0.02 -1.43 4.64 -2.00 -1.58 113.55 113.31 1n3t h SER 135 Ca 0.23 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1n3t h SER 135 Cb 0.43 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.47 1n3t h SER 135 CO -0.79 0.06 -0.24 0.11 -0.87 0.00 0.00 176.83 175.10 1n3t h LYS 136 N 0.15 -0.35 -1.14 4.77 1.79 -1.15 0.30 116.57 120.94 1n3t h LYS 136 Ca 0.42 0.02 0.33 0.00 -2.18 0.00 0.00 60.65 59.24 1n3t h LYS 136 Cb 1.42 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 32.10 1n3t h LYS 136 CO -0.07 -0.24 0.83 0.82 -1.08 0.00 0.00 179.45 179.71 1n3t h ILE 137 N -0.37 0.42 0.19 1.86 2.04 -1.39 0.26 117.51 120.52 1n3t h ILE 137 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1n3t h ILE 137 Cb 0.46 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1n3t h ILE 137 CO -0.23 0.00 -0.09 0.78 0.00 0.00 0.00 178.15 178.60 1n3t h ASN 138 N 0.00 -0.22 -0.96 1.72 -0.26 -0.54 -3.03 115.58 112.29 1n3t h ASN 138 Ca 0.54 -0.25 0.11 0.00 -0.56 0.00 0.00 56.30 56.14 1n3t h ASN 138 Cb 2.18 0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 39.42 1n3t h ASN 138 CO -0.01 0.33 0.61 0.03 -1.06 0.00 0.00 177.43 177.33 1n3t h ARG 139 N -0.96 0.94 -0.40 0.81 3.08 0.12 -1.96 114.38 116.01 1n3t h ARG 139 Ca -0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1n3t h ARG 139 Cb 0.46 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1n3t h ARG 139 CO 0.04 0.62 0.11 0.82 -1.07 0.00 0.00 179.97 180.49 1n3t h ILE 140 N 0.96 1.22 0.12 2.04 2.04 -0.71 -0.33 117.51 122.86 1n3t h ILE 140 Ca 0.46 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1n3t h ILE 140 Cb 0.44 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1n3t h ILE 140 CO -0.22 0.26 -0.08 0.58 0.00 0.00 0.00 178.15 178.69 1n3t h VAL 141 N 0.50 0.82 0.00 1.67 2.07 -1.29 -2.16 116.25 117.87 1n3t h VAL 141 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1n3t h VAL 141 Cb 0.29 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1n3t h VAL 141 CO -0.00 0.00 -0.07 1.56 0.02 0.00 0.00 177.57 179.08 1n3t h GLN 142 N -0.21 0.00 0.80 1.57 1.08 -1.27 -2.29 115.11 114.79 1n3t h GLN 142 Ca -0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1n3t h GLN 142 Cb 0.18 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1n3t h GLN 142 CO 0.00 0.07 -0.38 0.35 -0.95 0.00 0.00 178.83 177.92 1n3t h PHE 143 N 0.00 -0.99 0.00 2.96 3.57 -0.39 -2.51 116.94 119.58 1n3t h PHE 143 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1n3t h PHE 143 Cb 0.17 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1n3t h PHE 143 CO 0.00 -0.60 -0.04 0.74 -2.23 0.00 0.00 178.31 176.17 1n3t h PHE 144 N -1.18 0.00 0.00 0.41 0.04 -1.41 -2.66 116.94 112.14 1n3t h PHE 144 Ca -0.11 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1n3t h PHE 144 Cb 0.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1n3t h PHE 144 CO -0.00 0.04 -0.40 0.00 -0.60 0.00 0.00 178.31 177.35 1n3t h ALA 145 N 1.96 0.85 -0.22 2.45 0.00 -1.28 -3.32 119.26 119.70 1n3t h ALA 145 Ca -0.00 -0.36 -0.69 0.00 0.00 0.00 0.00 54.91 53.85 1n3t h ALA 145 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1n3t h ALA 145 CO 0.01 0.50 3.36 1.04 0.00 0.00 0.00 179.25 184.16 1n3t n GLN 146 N -3.36 4.00 -3.54 0.00 1.13 -0.96 -4.22 117.38 110.43 1n3t n GLN 146 Ca 0.01 -2.62 -0.13 0.00 -1.94 0.00 0.00 57.00 52.32 1n3t n GLN 146 Cb 0.60 -2.74 -0.04 0.00 0.11 0.00 0.00 30.24 28.16 1n3t n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3t s ARG 147 N 1.04 1.10 -0.21 -1.09 0.52 -1.20 -1.77 118.95 117.34 1n3t s ARG 147 Ca 0.65 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 55.25 1n3t s ARG 147 Cb 0.18 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 36.11 1n3t s ARG 147 CO -0.07 -0.42 1.91 -2.14 0.02 0.00 0.00 175.30 174.60 1n3t s PRO 148 N -2.85 3.51 0.54 3.54 0.02 -1.26 -4.11 135.00 134.38 1n3t s PRO 148 Ca -0.03 1.85 0.03 0.00 0.02 0.00 0.00 61.00 62.87 1n3t s PRO 148 Cb -0.00 -4.20 0.02 0.00 0.02 0.00 0.00 34.50 30.34 1n3t s PRO 148 CO -0.05 -1.65 0.22 -0.65 -0.33 0.00 0.00 177.00 174.53 1n3t s GLN 149 N 5.44 2.23 -0.07 5.54 -1.52 0.18 -4.56 119.66 126.91 1n3t s GLN 149 Ca 0.85 -2.24 -0.03 0.00 -1.95 0.00 0.00 55.36 51.99 1n3t s GLN 149 Cb -0.29 -1.81 0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1n3t s GLN 149 CO 0.34 -0.54 0.13 0.08 -0.25 0.00 0.00 175.29 175.05 1n3t s VAL 150 N -2.85 -0.16 0.12 1.09 1.01 -1.26 -0.03 120.40 118.33 1n3t s VAL 150 Ca 0.18 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 1n3t s VAL 150 Cb -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 1n3t s VAL 150 CO 0.11 0.12 1.59 -0.61 0.00 0.00 0.00 175.10 176.32 1n3t h GLN 151 N 7.92 -0.52 -0.98 2.72 4.15 -1.99 0.21 115.11 126.62 1n3t h GLN 151 Ca -0.26 0.04 0.25 0.00 0.77 0.00 0.00 58.65 59.45 1n3t h GLN 151 Cb 1.12 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 1n3t h GLN 151 CO 0.26 -0.34 0.66 0.93 -1.93 0.00 0.00 178.83 178.41 1n3t h GLU 152 N -0.54 0.26 0.19 1.69 3.07 -1.99 -1.62 114.58 115.65 1n3t h GLU 152 Ca 0.06 -0.02 -0.34 0.00 -0.50 0.00 0.00 59.36 58.56 1n3t h GLU 152 Cb 0.63 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1n3t h GLU 152 CO -0.32 0.17 -1.65 -0.09 -1.40 0.00 0.00 179.01 175.72 1n3t h ARG 153 N 0.27 0.40 -0.90 2.33 2.43 -1.76 -3.23 114.38 113.92 1n3t h ARG 153 Ca 0.51 -0.69 0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1n3t h ARG 153 Cb 1.53 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 31.27 1n3t h ARG 153 CO -0.16 1.31 0.58 1.25 -1.51 0.00 0.00 179.97 181.44 1n3t h LEU 154 N 0.11 0.82 0.10 3.80 5.85 -0.07 -1.28 115.31 124.65 1n3t h LEU 154 Ca -0.31 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1n3t h LEU 154 Cb 2.10 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1n3t h LEU 154 CO 0.20 0.49 -0.05 0.74 -0.34 0.00 0.00 178.44 179.47 1n3t h THR 155 N 0.91 1.02 -0.77 1.05 2.02 -1.47 -2.58 112.91 113.09 1n3t h THR 155 Ca 0.42 -0.47 0.15 0.00 0.77 0.00 0.00 66.41 67.27 1n3t h THR 155 Cb 0.39 1.32 -0.10 0.00 -1.74 0.00 0.00 68.15 68.02 1n3t h THR 155 CO -0.18 0.11 0.31 1.56 0.37 0.00 0.00 175.52 177.69 1n3t h GLN 156 N -0.35 0.43 0.42 6.66 1.08 -1.30 -1.71 115.11 120.33 1n3t h GLN 156 Ca -0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1n3t h GLN 156 Cb 0.29 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1n3t h GLN 156 CO 0.02 0.28 -0.27 1.96 -0.95 0.00 0.00 178.83 179.88 1n3t h GLN 157 N 0.44 -0.64 -0.78 1.46 4.20 -1.16 -0.73 115.11 117.90 1n3t h GLN 157 Ca 0.43 0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.30 1n3t h GLN 157 Cb 0.67 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.51 1n3t h GLN 157 CO -0.42 -0.42 0.39 0.82 -0.67 0.00 0.00 178.83 178.53 1n3t h ILE 158 N -0.66 0.79 0.63 2.54 2.04 -1.02 0.02 117.51 121.85 1n3t h ILE 158 Ca -0.04 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1n3t h ILE 158 Cb 0.55 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1n3t h ILE 158 CO 0.04 0.11 -0.34 0.25 0.00 0.00 0.00 178.15 178.21 1n3t h LEU 159 N 0.62 -0.84 -0.23 1.44 5.85 -0.95 -2.30 115.31 118.89 1n3t h LEU 159 Ca 0.40 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1n3t h LEU 159 Cb 0.50 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1n3t h LEU 159 CO -0.32 -0.56 0.16 0.40 -0.34 0.00 0.00 178.44 177.78 1n3t h ILE 160 N -0.90 1.06 -0.90 4.05 2.04 -0.71 -1.28 117.51 120.86 1n3t h ILE 160 Ca -0.08 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 65.78 1n3t h ILE 160 Cb 0.71 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 1n3t h ILE 160 CO 0.11 0.06 0.54 0.00 0.00 0.00 0.00 178.15 178.85 1n3t h ALA 161 N 1.09 1.33 -0.14 1.87 0.00 -1.00 -0.58 119.26 121.82 1n3t h ALA 161 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1n3t h ALA 161 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1n3t h ALA 161 CO -0.02 0.14 -0.23 -0.07 0.00 0.00 0.00 179.25 179.07 1n3t h LEU 162 N 0.86 0.45 -0.14 0.00 3.38 -1.12 -2.05 115.31 116.70 1n3t h LEU 162 Ca 0.45 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1n3t h LEU 162 Cb 0.44 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1n3t h LEU 162 CO -0.27 0.90 -0.26 1.56 0.09 0.00 0.00 178.44 180.46 1n3t h GLN 163 N 0.02 -0.31 -0.54 1.13 4.20 -0.78 0.50 115.11 119.32 1n3t h GLN 163 Ca 0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.85 1n3t h GLN 163 Cb 0.80 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 28.55 1n3t h GLN 163 CO 0.05 -0.21 -0.24 1.15 -0.67 0.00 0.00 178.83 178.91 1n3t h THR 164 N -0.32 0.29 0.00 -0.54 2.02 -1.05 1.24 112.91 114.55 1n3t h THR 164 Ca 0.10 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.16 1n3t h THR 164 Cb 0.48 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1n3t h THR 164 CO -0.32 0.00 -0.57 -0.07 0.37 0.00 0.00 175.52 174.93 1n3t h LEU 165 N -0.11 0.00 0.21 2.58 3.38 -0.84 -3.25 115.31 117.27 1n3t h LEU 165 Ca 0.24 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.89 1n3t h LEU 165 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.27 1n3t h LEU 165 CO -0.61 0.57 -1.51 -0.07 0.09 0.00 0.00 178.44 176.91 1n3t h LEU 166 N 0.00 0.68 -0.30 1.67 3.38 0.21 -3.48 115.31 117.46 1n3t h LEU 166 Ca -0.01 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1n3t h LEU 166 Cb 1.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1n3t h LEU 166 CO 0.07 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.86 1n3t n GLY 167 N 1.71 0.94 3.60 0.83 0.00 0.41 -4.76 105.19 107.92 1n3t n GLY 167 Ca -0.17 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1n3t n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3t s THR 168 N -2.30 0.00 0.00 2.61 2.01 -1.20 -4.89 115.64 111.87 1n3t s THR 168 Ca 0.00 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1n3t s THR 168 Cb 0.00 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1n3t s THR 168 CO 0.00 0.00 0.47 0.59 -0.69 0.00 0.00 174.62 174.99 1n3t n ASN 169 N -0.60 0.94 -3.46 3.53 3.02 -1.26 -4.45 115.26 112.97 1n3t n ASN 169 Ca -0.02 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 1n3t n ASN 169 Cb 0.62 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 1n3t n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3t n ASN 170 N -0.05 7.47 -4.12 6.41 3.02 -1.26 0.13 115.26 126.85 1n3t n ASN 170 Ca 0.00 -2.78 -0.19 0.00 -0.03 0.00 0.00 54.58 51.59 1n3t n ASN 170 Cb 0.00 -1.53 -0.13 0.00 -0.61 0.00 0.00 39.78 37.51 1n3t n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3t s VAL 171 N 1.55 0.98 -0.03 2.41 1.01 -1.26 -2.07 120.40 122.99 1n3t s VAL 171 Ca 0.60 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1n3t s VAL 171 Cb 0.17 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1n3t s VAL 171 CO -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 175.10 174.95 1n3t s ALA 172 N -0.86 0.62 -0.06 5.51 0.00 0.60 -1.88 121.76 125.68 1n3t s ALA 172 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1n3t s ALA 172 Cb -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1n3t s ALA 172 CO 0.01 0.03 -0.17 0.08 0.00 0.00 0.00 175.76 175.71 1n3t s VAL 173 N 0.64 1.49 -0.06 0.00 1.01 -1.07 -1.07 120.40 121.34 1n3t s VAL 173 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1n3t s VAL 173 Cb -0.12 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1n3t s VAL 173 CO 0.00 0.43 -0.05 -0.55 0.00 0.00 0.00 175.10 174.93 1n3t s SER 174 N 0.30 1.43 -0.12 3.32 0.15 -0.76 -0.83 113.70 117.19 1n3t s SER 174 Ca -0.11 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1n3t s SER 174 Cb -0.14 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1n3t s SER 174 CO 0.04 -0.08 -0.23 -0.63 1.20 0.00 0.00 173.24 173.55 1n3t s ILE 175 N 1.22 2.03 -0.19 6.45 1.01 0.15 -0.17 121.20 131.70 1n3t s ILE 175 Ca -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 1n3t s ILE 175 Cb -0.14 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1n3t s ILE 175 CO -0.02 0.55 -0.09 -0.62 0.00 0.00 0.00 174.94 174.76 1n3t s ASP 176 N 0.56 4.03 0.17 3.58 3.68 0.42 -1.28 116.67 127.83 1n3t s ASP 176 Ca -0.14 -0.41 -0.16 0.00 2.13 0.00 0.00 52.55 53.97 1n3t s ASP 176 Cb -0.17 -1.66 0.03 0.00 -1.45 0.00 0.00 42.92 39.67 1n3t s ASP 176 CO 0.04 0.04 0.45 0.00 0.13 0.00 0.00 175.17 175.83 1n3t s ALA 177 N 1.11 -0.82 -0.07 3.66 0.00 -0.63 0.35 121.76 125.35 1n3t s ALA 177 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.75 1n3t s ALA 177 Cb -0.15 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1n3t s ALA 177 CO -0.02 -0.73 -0.15 0.08 0.00 0.00 0.00 175.76 174.94 1n3t s VAL 178 N -3.86 2.98 -0.34 0.00 1.01 0.16 -1.47 120.40 118.88 1n3t s VAL 178 Ca 0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1n3t s VAL 178 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1n3t s VAL 178 CO -0.06 0.57 0.14 -1.00 0.00 0.00 0.00 175.10 174.75 1n3t s HIS 179 N -0.38 3.22 -0.49 5.22 3.76 -1.26 -1.69 115.29 123.68 1n3t s HIS 179 Ca 0.04 -1.08 0.19 0.00 -0.15 0.00 0.00 55.06 54.06 1n3t s HIS 179 Cb -0.12 -2.33 0.89 0.00 1.11 0.00 0.00 32.58 32.13 1n3t s HIS 179 CO 0.02 -0.64 1.57 0.66 -0.85 0.00 0.00 174.74 175.51 1n3t n TYR 180 N 4.90 0.59 1.18 1.40 4.02 -1.08 -0.34 117.16 127.84 1n3t n TYR 180 Ca -0.13 0.27 0.03 0.00 -0.01 0.00 0.00 57.90 58.06 1n3t n TYR 180 Cb 0.46 -0.94 0.09 0.00 -0.02 0.00 0.00 39.34 38.94 1n3t n TYR 180 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1n3t n SER 181 N -2.08 1.33 0.00 7.72 3.41 -1.26 -1.34 113.62 121.41 1n3t n SER 181 Ca 0.01 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1n3t n SER 181 Cb 0.11 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1n3t n SER 181 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1n3t n VAL 182 N 0.11 0.00 -0.09 -3.33 0.31 0.54 -4.68 118.33 111.20 1n3t n VAL 182 Ca 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 1n3t n VAL 182 Cb 0.24 -0.38 -0.08 0.00 -0.91 0.00 0.00 33.84 32.71 1n3t n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3t h LYS 183 N 0.00 0.00 -0.65 5.55 3.64 -1.07 -1.55 116.57 122.49 1n3t h LYS 183 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n3t h LYS 183 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1n3t h LYS 183 CO 0.00 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 1n3t n ALA 184 N -3.33 3.32 -3.63 5.00 0.00 -0.45 -3.45 120.51 117.98 1n3t n ALA 184 Ca -0.20 -1.38 -0.12 0.00 0.00 0.00 0.00 53.44 51.74 1n3t n ALA 184 Cb 0.48 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 1n3t n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3t s ARG 185 N -2.12 0.79 3.74 0.00 3.52 -1.23 -4.95 118.95 118.70 1n3t s ARG 185 Ca 0.42 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 1n3t s ARG 185 Cb 0.30 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 34.03 1n3t s ARG 185 CO 0.15 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.95 1n3t n GLY 186 N 2.96 1.90 0.13 8.12 0.00 -1.26 -3.21 105.19 113.83 1n3t n GLY 186 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1n3t n GLY 186 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n3t h ILE 187 N 0.00 0.00 -6.64 -0.61 2.04 -1.90 -3.48 117.51 106.93 1n3t h ILE 187 Ca 0.00 -0.60 -0.45 0.00 1.00 0.00 0.00 64.86 64.81 1n3t h ILE 187 Cb 0.00 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1n3t h ILE 187 CO 0.00 0.00 -1.14 0.54 0.00 0.00 0.00 178.15 177.55 1n3t n ARG 188 N -2.46 -1.67 -3.65 2.37 1.74 -1.06 -4.91 116.66 107.03 1n3t n ARG 188 Ca 0.05 1.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.74 1n3t n ARG 188 Cb 0.45 -2.07 -0.12 0.00 -1.02 0.00 0.00 32.46 29.70 1n3t n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3t s ASP 189 N -2.33 5.58 0.33 0.55 -1.08 -0.61 -4.96 116.67 114.15 1n3t s ASP 189 Ca 0.16 -0.47 0.18 0.00 -0.52 0.00 0.00 52.55 51.89 1n3t s ASP 189 Cb -0.02 -2.01 0.15 0.00 -1.46 0.00 0.00 42.92 39.59 1n3t s ASP 189 CO 0.87 -0.18 1.48 0.00 0.52 0.00 0.00 175.17 177.86 1n3t h ALA 190 N 8.35 0.78 -0.00 3.66 0.00 -1.88 -3.35 119.26 126.82 1n3t h ALA 190 Ca -0.33 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1n3t h ALA 190 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1n3t h ALA 190 CO 0.61 0.41 -0.21 0.25 0.00 0.00 0.00 179.25 180.31 1n3t n THR 191 N -3.17 0.00 -2.06 0.00 -2.24 -1.26 -5.05 114.28 100.50 1n3t n THR 191 Ca 0.02 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.12 1n3t n THR 191 Cb 0.66 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 70.01 1n3t n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3t s SER 192 N -1.30 5.24 0.02 3.42 1.04 -1.26 -5.09 113.70 115.76 1n3t s SER 192 Ca 0.05 0.88 -0.27 0.00 0.48 0.00 0.00 55.95 57.10 1n3t s SER 192 Cb 0.06 -1.66 0.06 0.00 0.10 0.00 0.00 66.02 64.59 1n3t s SER 192 CO 0.22 -1.40 0.61 0.00 0.98 0.00 0.00 173.24 173.66 1n3t s ALA 193 N -3.29 -1.59 -0.07 5.32 0.00 -1.26 -4.86 121.76 116.01 1n3t s ALA 193 Ca 0.58 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.49 1n3t s ALA 193 Cb -0.11 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1n3t s ALA 193 CO 0.49 -0.48 -0.08 0.99 0.00 0.00 0.00 175.76 176.68 1n3t s THR 194 N -2.00 3.56 -0.13 0.00 2.01 -0.54 -4.96 115.64 113.57 1n3t s THR 194 Ca -0.07 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1n3t s THR 194 Cb -0.01 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1n3t s THR 194 CO 0.02 0.59 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.48 1n3t s THR 195 N -0.64 1.68 0.10 -0.82 2.01 -1.26 -1.60 115.64 115.11 1n3t s THR 195 Ca 0.10 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.46 1n3t s THR 195 Cb -0.11 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1n3t s THR 195 CO 0.02 0.48 -0.26 0.42 -0.69 0.00 0.00 174.62 174.59 1n3t s THR 196 N 1.14 2.11 0.02 -0.82 -4.23 -0.41 -5.00 115.64 108.46 1n3t s THR 196 Ca -0.02 -1.58 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1n3t s THR 196 Cb -0.14 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1n3t s THR 196 CO -0.06 0.16 -0.03 0.42 -0.54 0.00 0.00 174.62 174.57 1n3t s THR 197 N -0.98 0.12 -0.21 3.99 -4.23 -1.26 -0.67 115.64 112.40 1n3t s THR 197 Ca 0.12 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1n3t s THR 197 Cb -0.10 -0.33 0.07 0.00 1.34 0.00 0.00 72.50 73.47 1n3t s THR 197 CO 0.04 -0.53 0.04 -0.44 -0.54 0.00 0.00 174.62 173.20 1n3t s SER 198 N -1.54 3.06 -0.19 3.99 0.01 -0.01 -5.00 113.70 114.01 1n3t s SER 198 Ca -0.15 -0.92 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 1n3t s SER 198 Cb -0.09 -0.62 -0.05 0.00 0.21 0.00 0.00 66.02 65.47 1n3t s SER 198 CO -0.01 -0.32 0.14 -0.76 0.41 0.00 0.00 173.24 172.70 1n3t s LEU 199 N 1.84 4.22 0.42 2.44 1.43 -1.26 -2.58 118.68 125.18 1n3t s LEU 199 Ca 0.00 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1n3t s LEU 199 Cb -0.17 -2.11 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 1n3t s LEU 199 CO -0.11 0.19 0.01 -0.83 0.23 0.00 0.00 176.35 175.84 1n3t s GLY 200 N 0.29 2.53 0.00 -3.19 0.00 -0.79 -4.53 107.32 101.64 1n3t s GLY 200 Ca 0.09 -2.20 0.00 0.00 0.00 0.00 0.00 44.72 42.61 1n3t s GLY 200 CO -0.01 -2.10 0.00 0.61 0.00 0.00 0.00 173.10 171.60 1n3t n GLY 201 N -0.99 1.06 0.47 0.20 0.00 0.34 -1.61 105.19 104.65 1n3t n GLY 201 Ca -0.06 -0.53 0.28 0.00 0.00 0.00 0.00 46.02 45.72 1n3t n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3t h LEU 202 N 0.00 0.00 -2.45 0.99 3.38 -1.93 0.11 115.31 115.40 1n3t h LEU 202 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1n3t h LEU 202 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3t h LEU 202 CO 0.00 0.00 0.08 -0.26 0.09 0.00 0.00 178.44 178.35 1n3t h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.60 0.28 116.94 116.79 1n3t h PHE 203 Ca 0.42 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.88 1n3t h PHE 203 Cb 1.72 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.81 1n3t h PHE 203 CO 0.00 0.00 -2.15 1.17 -0.60 0.00 0.00 178.31 176.73 1n3t n LYS 204 N -3.67 1.11 -0.03 1.51 4.81 0.34 -4.11 118.16 118.11 1n3t n LYS 204 Ca -0.02 0.03 -0.19 0.00 -0.87 0.00 0.00 58.31 57.26 1n3t n LYS 204 Cb 0.17 -1.42 -0.14 0.00 0.02 0.00 0.00 35.03 33.66 1n3t n LYS 204 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1n3t n SER 205 N -2.74 1.87 -4.58 3.14 3.41 -1.01 -4.85 113.62 108.87 1n3t n SER 205 Ca -0.30 0.16 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 1n3t n SER 205 Cb 1.00 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1n3t n SER 205 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n3t s SER 206 N -6.76 6.54 0.38 4.04 0.15 0.97 -4.91 113.70 114.11 1n3t s SER 206 Ca -0.22 0.23 0.12 0.00 0.70 0.00 0.00 55.95 56.78 1n3t s SER 206 Cb 0.07 -2.47 0.93 0.00 -1.71 0.00 0.00 66.02 62.84 1n3t s SER 206 CO 0.74 -1.06 1.85 -0.61 1.20 0.00 0.00 173.24 175.36 1n3t h GLN 207 N 9.03 0.56 0.53 5.44 5.75 -1.88 0.23 115.11 134.77 1n3t h GLN 207 Ca -0.24 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 1n3t h GLN 207 Cb 1.07 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 29.50 1n3t h GLN 207 CO 1.04 0.37 -0.26 -0.97 -2.65 0.00 0.00 178.83 176.36 1n3t h ASN 208 N 0.57 -0.61 -0.50 -0.69 -1.24 -1.92 -2.99 115.58 108.21 1n3t h ASN 208 Ca 0.48 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.58 1n3t h ASN 208 Cb 0.95 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.12 1n3t h ASN 208 CO -0.22 -0.20 0.34 0.74 -1.29 0.00 0.00 177.43 176.80 1n3t h THR 209 N -1.19 0.94 0.75 -3.57 2.02 -1.78 -1.68 112.91 108.39 1n3t h THR 209 Ca -0.07 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1n3t h THR 209 Cb 0.55 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1n3t h THR 209 CO 0.12 0.07 -0.48 -0.09 0.37 0.00 0.00 175.52 175.51 1n3t h ARG 210 N 0.37 -1.12 0.00 6.66 2.43 -1.00 -2.97 114.38 118.75 1n3t h ARG 210 Ca 0.22 0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1n3t h ARG 210 Cb 0.40 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1n3t h ARG 210 CO -0.05 -0.75 -0.32 0.45 -1.51 0.00 0.00 179.97 177.79 1n3t h HIS 211 N -1.16 0.00 0.00 2.20 3.86 -1.33 -2.37 115.15 116.35 1n3t h HIS 211 Ca -0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1n3t h HIS 211 Cb 0.94 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.41 1n3t h HIS 211 CO -0.12 0.32 -0.02 0.93 0.86 0.00 0.00 177.93 179.90 1n3t h GLU 212 N 0.00 0.00 0.00 2.45 5.08 -1.21 -1.58 114.58 119.33 1n3t h GLU 212 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n3t h GLU 212 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1n3t h GLU 212 CO 0.04 0.02 0.00 0.34 -1.00 0.00 0.00 179.01 178.41 1n3t n PHE 213 N -4.02 0.00 -0.27 4.33 7.35 -0.94 -3.96 117.46 119.95 1n3t n PHE 213 Ca -0.03 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.90 1n3t n PHE 213 Cb 0.11 -0.31 0.45 0.00 0.35 0.00 0.00 39.48 40.07 1n3t n PHE 213 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1n3t n LEU 214 N -2.08 0.23 -0.30 -2.13 4.77 -0.94 0.11 117.00 116.67 1n3t n LEU 214 Ca 0.00 1.39 -0.06 0.00 -0.03 0.00 0.00 56.01 57.31 1n3t n LEU 214 Cb 0.00 -0.65 0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1n3t n LEU 214 CO 0.00 -1.53 1.06 -0.09 -1.33 0.00 0.00 177.39 175.50 1n3t h ARG 215 N 0.00 1.20 -0.91 3.23 2.43 -1.48 -2.58 114.38 116.28 1n3t h ARG 215 Ca 0.67 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.62 1n3t h ARG 215 Cb 1.74 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1n3t h ARG 215 CO -0.66 0.96 0.02 0.00 -1.51 0.00 0.00 179.97 178.78 1n3t n ALA 216 N -2.43 2.92 -2.62 2.80 0.00 0.29 -4.85 120.51 116.62 1n3t n ALA 216 Ca 0.07 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1n3t n ALA 216 Cb 0.18 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 1n3t n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3t s VAL 217 N -1.38 3.57 -0.06 0.00 1.01 -0.97 -4.83 120.40 117.74 1n3t s VAL 217 Ca 0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 1n3t s VAL 217 Cb 0.11 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1n3t s VAL 217 CO 0.04 0.04 0.06 -1.14 0.00 0.00 0.00 175.10 174.10 1n3t n ARG 218 N 0.40 -0.17 -4.38 2.72 0.00 -1.26 -5.04 116.66 108.92 1n3t n ARG 218 Ca -0.12 0.62 -0.27 0.00 -0.00 0.00 0.00 57.85 58.09 1n3t n ARG 218 Cb 0.53 -1.90 -0.12 0.00 0.00 0.00 0.00 32.46 30.97 1n3t n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3t s HIS 219 N -2.11 2.20 -0.29 -0.14 3.76 -1.26 -5.13 115.29 112.32 1n3t s HIS 219 Ca 0.01 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1n3t s HIS 219 Cb -0.00 -1.14 0.05 0.00 1.11 0.00 0.00 32.58 32.59 1n3t s HIS 219 CO 0.07 0.38 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.74 1n3t s HIS 220 N -1.39 3.24 0.00 1.40 2.46 -1.26 -4.91 115.29 114.83 1n3t s HIS 220 Ca 0.16 -1.91 0.00 0.00 0.47 0.00 0.00 55.06 53.78 1n3t s HIS 220 Cb -0.09 -2.07 0.00 0.00 -0.13 0.00 0.00 32.58 30.29 1n3t s HIS 220 CO 0.07 -0.81 0.00 0.09 -2.47 0.00 0.00 174.74 171.62