#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 -5.13 113.62 113.65 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 -4.97 117.00 114.02 1n3t n LEU 3 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1n3t n LEU 3 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1n3t n LEU 3 CO 0.00 0.00 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.15 1n3t s SER 4 N 1.00 0.25 0.11 -1.43 0.15 -1.26 -5.06 113.70 107.46 1n3t s SER 4 Ca 0.00 -0.53 -0.33 0.00 0.70 0.00 0.00 55.95 55.79 1n3t s SER 4 Cb 0.00 0.11 -0.13 0.00 -1.71 0.00 0.00 66.02 64.30 1n3t s SER 4 CO 0.00 -0.33 1.57 0.11 1.20 0.00 0.00 173.24 175.80 1n3t h LYS 5 N 4.52 -0.71 0.03 5.44 1.57 -2.02 -1.25 116.57 124.15 1n3t h LYS 5 Ca -0.32 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1n3t h LYS 5 Cb 1.20 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.64 1n3t h LYS 5 CO 0.43 -0.47 -0.18 0.93 -0.57 0.00 0.00 179.45 179.58 1n3t h GLU 6 N -0.74 -0.30 -0.81 3.15 3.07 -1.98 -1.89 114.58 115.08 1n3t h GLU 6 Ca 0.00 0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.99 1n3t h GLU 6 Cb 0.74 0.07 -0.13 0.00 -0.84 0.00 0.00 28.75 28.59 1n3t h GLU 6 CO -0.23 -0.20 -0.45 0.00 -1.40 0.00 0.00 179.01 176.73 1n3t h ALA 7 N 0.58 -0.20 -0.21 3.43 0.00 -1.86 0.20 119.26 121.20 1n3t h ALA 7 Ca 0.05 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1n3t h ALA 7 Cb 0.37 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1n3t h ALA 7 CO -0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 179.25 178.17 1n3t h ALA 8 N 0.87 0.02 0.22 0.00 0.00 -0.75 0.32 119.26 119.94 1n3t h ALA 8 Ca 0.23 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1n3t h ALA 8 Cb 0.54 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1n3t h ALA 8 CO -0.85 -0.56 -0.36 -0.07 0.00 0.00 0.00 179.25 177.41 1n3t h LEU 9 N -0.13 -1.02 -0.14 0.00 3.38 -0.20 0.23 115.31 117.42 1n3t h LEU 9 Ca 0.12 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1n3t h LEU 9 Cb 0.31 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1n3t h LEU 9 CO -0.29 -0.47 -0.13 0.58 0.09 0.00 0.00 178.44 178.22 1n3t h VAL 10 N -0.66 0.63 0.02 1.22 2.07 -0.41 -0.46 116.25 118.66 1n3t h VAL 10 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1n3t h VAL 10 Cb 0.64 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1n3t h VAL 10 CO -0.15 0.00 -0.23 -0.74 0.02 0.00 0.00 177.57 176.47 1n3t h HIS 11 N -0.16 -0.61 -0.94 1.57 -0.00 -0.07 -2.33 115.15 112.61 1n3t h HIS 11 Ca 0.10 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 1n3t h HIS 11 Cb 0.30 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.92 1n3t h HIS 11 CO -0.26 -0.32 0.62 0.93 -0.00 0.00 0.00 177.93 178.90 1n3t h GLU 12 N -0.37 1.19 -0.82 5.26 5.08 -0.73 -1.95 114.58 122.24 1n3t h GLU 12 Ca 0.06 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1n3t h GLU 12 Cb 0.44 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1n3t h GLU 12 CO -0.20 0.78 0.53 0.00 -1.00 0.00 0.00 179.01 179.13 1n3t h ALA 13 N 1.44 1.41 0.00 3.43 0.00 -0.72 0.47 119.26 125.28 1n3t h ALA 13 Ca 0.37 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1n3t h ALA 13 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1n3t h ALA 13 CO -0.10 0.55 -0.49 -0.07 0.00 0.00 0.00 179.25 179.14 1n3t h LEU 14 N 1.11 0.00 0.00 0.00 3.38 -0.87 -2.77 115.31 116.16 1n3t h LEU 14 Ca 0.30 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.06 1n3t h LEU 14 Cb -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1n3t h LEU 14 CO -0.06 0.49 -1.03 0.58 0.09 0.00 0.00 178.44 178.51 1n3t h VAL 15 N 0.00 1.51 -0.53 1.22 2.07 -0.76 0.36 116.25 120.12 1n3t h VAL 15 Ca -0.00 -3.20 -0.01 0.00 0.82 0.00 0.00 66.70 64.31 1n3t h VAL 15 Cb 1.20 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 1n3t h VAL 15 CO 0.06 0.86 0.29 0.00 0.02 0.00 0.00 177.57 178.81 1n3t h ALA 16 N 1.06 0.68 0.00 1.67 0.00 -0.81 -2.47 119.26 119.40 1n3t h ALA 16 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n3t h ALA 16 Cb 1.75 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1n3t h ALA 16 CO 0.12 0.20 -0.33 -2.13 0.00 0.00 0.00 179.25 177.10 1n3t n ARG 17 N -4.63 0.19 -1.56 0.00 3.00 -1.06 -4.93 116.66 107.68 1n3t n ARG 17 Ca 0.03 0.10 -0.05 0.00 -0.00 0.00 0.00 57.85 57.93 1n3t n ARG 17 Cb 0.08 -1.66 -0.01 0.00 0.00 0.00 0.00 32.46 30.87 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 1.38 0.49 1.99 5.14 0.00 -0.26 -4.91 105.19 109.02 1n3t n GLY 18 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.60 6.02 -4.84 0.99 4.77 0.11 -4.94 117.00 118.51 1n3t n LEU 19 Ca -0.05 -3.13 -0.34 0.00 -0.03 0.00 0.00 56.01 52.46 1n3t n LEU 19 Cb 0.33 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1n3t n LEU 19 CO 0.07 0.78 0.33 -1.61 -1.33 0.00 0.00 177.39 175.63 1n3t s GLU 20 N -2.90 4.03 0.10 3.23 0.41 -1.17 -4.74 118.70 117.65 1n3t s GLU 20 Ca 0.54 0.61 -0.31 0.00 -0.41 0.00 0.00 54.97 55.40 1n3t s GLU 20 Cb 0.43 -2.75 -0.09 0.00 -1.78 0.00 0.00 34.13 29.94 1n3t s GLU 20 CO 0.13 0.35 1.67 0.99 -0.49 0.00 0.00 175.26 177.91 1n3t s THR 21 N -1.66 2.86 -0.95 3.63 2.01 -1.26 -4.80 115.64 115.46 1n3t s THR 21 Ca 0.45 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.67 1n3t s THR 21 Cb -0.14 -3.25 -0.28 0.00 0.01 0.00 0.00 72.50 68.84 1n3t s THR 21 CO 0.20 0.01 2.32 -2.65 -0.69 0.00 0.00 174.62 173.80 1n3t n PRO 22 N 5.29 0.12 -4.55 4.92 -0.02 -1.26 -4.91 135.00 134.58 1n3t n PRO 22 Ca 0.16 -0.10 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 1n3t n PRO 22 Cb 0.40 -1.55 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 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 4.40 2.74 -0.11 2.45 1.02 -1.26 -5.14 118.68 122.78 1n3t s LEU 23 Ca 1.27 -1.24 0.01 0.00 0.02 0.00 0.00 54.13 54.19 1n3t s LEU 23 Cb -0.82 -0.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1n3t s LEU 23 CO 0.48 -0.27 -0.13 -0.60 0.02 0.00 0.00 176.35 175.85 1n3t s ARG 24 N -3.64 3.15 -0.17 1.70 3.52 -1.26 -5.07 118.95 117.19 1n3t s ARG 24 Ca 0.33 -0.68 -0.42 0.00 -0.13 0.00 0.00 55.73 54.83 1n3t s ARG 24 Cb 0.04 -2.57 -0.20 0.00 -1.56 0.00 0.00 34.95 30.67 1n3t s ARG 24 CO 0.16 0.33 1.24 -2.30 -0.81 0.00 0.00 175.30 173.92 1n3t n PRO 25 N 3.19 0.00 -0.29 5.12 -0.02 -1.26 -4.81 135.00 136.93 1n3t n PRO 25 Ca -0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.41 1n3t n PRO 25 Cb 0.53 -1.48 0.25 0.00 -0.02 0.00 0.00 33.50 32.77 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 3.64 0.14 0.00 0.52 0.11 -2.04 -3.46 132.00 130.91 1n3t h PRO 26 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n3t h PRO 26 Cb 1.39 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1n3t h PRO 26 CO 0.75 0.09 0.00 0.28 -0.21 0.00 0.00 178.00 178.92 1n3t n VAL 27 N -5.30 0.00 -4.07 3.15 0.31 -1.26 -4.77 118.33 106.40 1n3t n VAL 27 Ca 0.19 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.29 1n3t n VAL 27 Cb 0.63 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.52 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 3.22 -1.12 3.52 -3.43 -1.26 -5.04 115.29 111.17 1n3t s HIS 28 Ca 0.00 -0.05 -0.04 0.00 -0.80 0.00 0.00 55.06 54.17 1n3t s HIS 28 Cb 0.00 -1.49 0.27 0.00 -1.43 0.00 0.00 32.58 29.93 1n3t s HIS 28 CO 0.00 0.51 1.78 0.39 -2.00 0.00 0.00 174.74 175.42 1n3t n GLU 29 N -0.93 4.73 -1.68 -0.38 1.02 -1.26 -5.01 120.64 117.14 1n3t n GLU 29 Ca -0.08 -4.31 -0.54 0.00 -0.02 0.00 0.00 57.16 52.20 1n3t n GLU 29 Cb 0.56 -2.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.35 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 1.22 1.36 -0.67 3.49 0.00 -1.26 -4.70 117.12 116.56 1n3t n MET 30 Ca 0.40 0.50 -0.26 0.00 -0.00 0.00 0.00 57.70 58.34 1n3t n MET 30 Cb 0.30 -2.20 -0.04 0.00 0.00 0.00 0.00 33.22 31.28 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 4.92 0.25 -0.24 6.12 2.03 -1.26 -4.74 116.55 123.63 1n3t n ASP 31 Ca 0.24 0.48 -0.03 0.00 0.52 0.00 0.00 54.79 56.01 1n3t n ASP 31 Cb 0.17 -0.37 0.09 0.00 -0.72 0.00 0.00 41.12 40.29 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 1.65 0.65 0.70 1.67 -1.24 -2.02 0.33 115.58 117.32 1n3t h ASN 32 Ca -0.20 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1n3t h ASN 32 Cb 0.58 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1n3t h ASN 32 CO 0.34 0.43 0.00 -0.62 -1.29 0.00 0.00 177.43 176.29 1n3t n GLU 33 N -4.72 0.10 0.02 6.67 1.02 -1.26 -2.71 120.64 119.77 1n3t n GLU 33 Ca 0.08 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.43 1n3t n GLU 33 Cb 0.13 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 29.73 1n3t n GLU 33 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1n3t h THR 34 N 0.00 1.22 -0.18 2.62 2.02 -1.26 -3.24 112.91 114.10 1n3t h THR 34 Ca 0.00 -2.98 -0.13 0.00 0.77 0.00 0.00 66.41 64.07 1n3t h THR 34 Cb 0.35 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1n3t h THR 34 CO 0.00 0.74 -0.39 0.03 0.37 0.00 0.00 175.52 176.26 1n3t h ARG 35 N 0.01 0.58 -0.79 6.66 3.08 -1.25 -2.82 114.38 119.85 1n3t h ARG 35 Ca -0.18 -0.39 0.18 0.00 0.07 0.00 0.00 59.98 59.67 1n3t h ARG 35 Cb 1.92 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.98 1n3t h ARG 35 CO 0.11 1.00 0.54 0.87 -1.07 0.00 0.00 179.97 181.42 1n3t h LYS 36 N 0.24 0.30 -0.09 0.04 1.57 -1.65 0.53 116.57 117.52 1n3t h LYS 36 Ca 0.00 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1n3t h LYS 36 Cb 1.00 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1n3t h LYS 36 CO 0.09 0.20 -0.82 0.66 -0.57 0.00 0.00 179.45 179.01 1n3t h SER 37 N 0.31 0.75 -0.11 0.86 4.64 -1.53 -1.20 113.55 117.27 1n3t h SER 37 Ca 0.39 -0.52 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1n3t h SER 37 Cb 1.07 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1n3t h SER 37 CO -0.11 1.30 -0.37 -0.07 -0.87 0.00 0.00 176.83 176.71 1n3t h LEU 38 N 0.40 0.51 -0.54 5.97 3.38 -0.89 -2.53 115.31 121.61 1n3t h LEU 38 Ca -0.06 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1n3t h LEU 38 Cb 1.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1n3t h LEU 38 CO 0.16 1.04 0.21 0.40 0.09 0.00 0.00 178.44 180.34 1n3t h ILE 39 N 0.02 1.22 0.00 1.22 2.04 -1.04 -1.46 117.51 119.50 1n3t h ILE 39 Ca -0.02 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1n3t h ILE 39 Cb 1.00 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1n3t h ILE 39 CO 0.08 0.27 -0.02 0.00 0.00 0.00 0.00 178.15 178.47 1n3t h ALA 40 N 1.06 1.93 -0.16 1.87 0.00 -1.24 -1.41 119.26 121.31 1n3t h ALA 40 Ca 0.18 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1n3t h ALA 40 Cb 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1n3t h ALA 40 CO -0.01 0.03 -0.78 0.78 0.00 0.00 0.00 179.25 179.27 1n3t h GLY 41 N 0.08 0.89 1.03 0.00 0.00 -0.85 -2.51 103.07 101.70 1n3t h GLY 41 Ca -0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.00 1n3t h GLY 41 CO 0.00 1.12 0.04 0.45 0.00 0.00 0.00 176.54 178.15 1n3t h HIS 42 N 0.55 1.01 -0.54 5.60 -0.00 -0.53 -1.69 115.15 119.56 1n3t h HIS 42 Ca -0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.14 1n3t h HIS 42 Cb 1.41 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.52 1n3t h HIS 42 CO 0.09 0.91 0.27 0.52 -0.00 0.00 0.00 177.93 179.72 1n3t h MET 43 N 0.82 0.75 -0.52 2.45 2.86 -1.28 -0.70 114.93 119.31 1n3t h MET 43 Ca 0.16 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1n3t h MET 43 Cb 0.48 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1n3t h MET 43 CO 0.02 0.58 0.25 1.15 1.06 0.00 0.00 176.91 179.97 1n3t h THR 44 N 0.76 1.20 -0.13 2.22 2.02 -1.02 0.41 112.91 118.36 1n3t h THR 44 Ca 0.19 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1n3t h THR 44 Cb 0.07 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1n3t h THR 44 CO -0.03 0.22 0.07 -0.33 0.37 0.00 0.00 175.52 175.83 1n3t h GLU 45 N 0.70 0.17 -0.27 6.66 4.39 -0.31 -2.30 114.58 123.63 1n3t h GLU 45 Ca 0.18 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1n3t h GLU 45 Cb 0.12 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1n3t h GLU 45 CO -0.02 0.17 0.11 0.82 -1.16 0.00 0.00 179.01 178.93 1n3t h ILE 46 N 0.13 0.96 -0.92 3.13 2.04 -0.87 -1.16 117.51 120.82 1n3t h ILE 46 Ca 0.05 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1n3t h ILE 46 Cb 0.04 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1n3t h ILE 46 CO -0.01 0.04 0.57 0.24 0.00 0.00 0.00 178.15 178.99 1n3t h MET 47 N 0.25 0.95 -0.52 2.37 2.86 -0.81 -0.47 114.93 119.55 1n3t h MET 47 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1n3t h MET 47 Cb 0.06 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1n3t h MET 47 CO -0.10 0.63 0.28 1.96 1.06 0.00 0.00 176.91 180.73 1n3t h GLN 48 N 0.97 0.73 -0.31 1.72 4.20 -0.80 -1.14 115.11 120.47 1n3t h GLN 48 Ca 0.43 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 59.14 1n3t h GLN 48 Cb 0.31 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1n3t h GLN 48 CO -0.22 0.57 0.26 -0.07 -0.67 0.00 0.00 178.83 178.71 1n3t h LEU 49 N 0.69 0.00 -2.52 1.46 3.38 0.10 0.37 115.31 118.78 1n3t h LEU 49 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1n3t h LEU 49 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1n3t h LEU 49 CO -0.03 0.00 0.04 0.18 0.09 0.00 0.00 178.44 178.72 1n3t n LEU 50 N -4.13 3.84 -3.19 1.67 4.77 -0.48 -4.89 117.00 114.59 1n3t n LEU 50 Ca 0.05 -1.95 -0.20 0.00 -0.03 0.00 0.00 56.01 53.87 1n3t n LEU 50 Cb 0.42 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1n3t n LEU 50 CO 0.32 0.50 -0.06 0.59 -1.33 0.00 0.00 177.39 177.41 1n3t n ASN 51 N 0.28 -3.41 -4.68 -1.43 3.02 0.13 -4.90 115.26 104.27 1n3t n ASN 51 Ca 0.18 -0.25 -0.40 0.00 -0.03 0.00 0.00 54.58 54.07 1n3t n ASN 51 Cb 0.83 -2.85 -0.05 0.00 -0.61 0.00 0.00 39.78 37.09 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 -6.24 4.20 -0.94 3.41 1.43 -0.89 -4.97 118.68 114.68 1n3t s LEU 52 Ca 0.32 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.14 1n3t s LEU 52 Cb -0.17 -2.96 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 1n3t s LEU 52 CO 0.39 -0.22 2.00 -0.62 0.23 0.00 0.00 176.35 178.12 1n3t s ASP 53 N 1.04 4.95 0.00 2.29 2.15 -1.26 -4.57 116.67 121.27 1n3t s ASP 53 Ca 0.32 -0.77 0.08 0.00 0.43 0.00 0.00 52.55 52.61 1n3t s ASP 53 Cb -0.16 -2.56 0.48 0.00 -0.30 0.00 0.00 42.92 40.38 1n3t s ASP 53 CO 0.12 -2.97 0.94 0.18 -0.17 0.00 0.00 175.17 173.27 1n3t n LEU 54 N 14.67 0.00 0.12 -1.34 4.77 -1.26 -1.36 117.00 132.59 1n3t n LEU 54 Ca 0.42 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 1n3t n LEU 54 Cb 0.46 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1n3t n LEU 54 CO 0.61 0.00 0.40 0.00 -1.33 0.00 0.00 177.39 177.06 1n3t h ALA 55 N 2.50 0.68 -2.32 -1.18 0.00 -1.95 -3.38 119.26 113.61 1n3t h ALA 55 Ca 0.00 -0.62 -0.57 0.00 0.00 0.00 0.00 54.91 53.72 1n3t h ALA 55 Cb 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 17.74 1n3t h ALA 55 CO 0.00 0.85 0.82 -3.47 0.00 0.00 0.00 179.25 177.45 1n3t n ASP 56 N -3.45 3.21 -0.14 0.00 2.03 -0.47 -4.87 116.55 112.86 1n3t n ASP 56 Ca 0.00 1.08 0.18 0.00 0.52 0.00 0.00 54.79 56.58 1n3t n ASP 56 Cb 0.74 -1.45 0.57 0.00 -0.72 0.00 0.00 41.12 40.26 1n3t n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1n3t h ASP 57 N 6.00 0.27 0.03 1.67 2.03 -1.90 0.15 116.42 124.68 1n3t h ASP 57 Ca -0.45 0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1n3t h ASP 57 Cb 1.25 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1n3t h ASP 57 CO 0.89 0.13 -0.01 -1.28 -1.03 0.00 0.00 179.24 177.94 1n3t h SER 58 N 0.28 -0.03 0.00 4.15 0.87 -1.96 -3.31 113.55 113.56 1n3t h SER 58 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1n3t h SER 58 Cb 1.02 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1n3t h SER 58 CO -0.09 0.45 0.17 -0.07 -0.53 0.00 0.00 176.83 176.76 1n3t h LEU 59 N -0.99 0.00 -0.98 2.23 3.38 -1.86 -3.05 115.31 114.04 1n3t h LEU 59 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1n3t h LEU 59 Cb 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1n3t h LEU 59 CO 0.01 0.00 0.61 -0.03 0.09 0.00 0.00 178.44 179.12 1n3t h MET 60 N 0.00 0.95 -0.01 1.13 4.05 -1.04 -2.68 114.93 117.32 1n3t h MET 60 Ca 0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1n3t h MET 60 Cb 0.35 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1n3t h MET 60 CO 0.00 0.63 -0.35 0.39 0.23 0.00 0.00 176.91 177.81 1n3t n GLU 61 N -4.63 1.10 -0.21 0.39 -0.58 -1.15 -4.54 120.64 111.02 1n3t n GLU 61 Ca 0.18 -0.81 -0.01 0.00 -0.42 0.00 0.00 57.16 56.10 1n3t n GLU 61 Cb 0.34 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.78 1n3t n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3t h THR 62 N 1.97 0.36 -0.24 2.62 2.02 -1.63 -2.29 112.91 115.72 1n3t h THR 62 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1n3t h THR 62 Cb 0.64 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1n3t h THR 62 CO 0.00 0.00 -0.23 -0.65 0.37 0.00 0.00 175.52 175.01 1n3t h PRO 63 N -0.02 -0.23 -0.60 6.66 0.11 -1.80 -0.66 132.00 135.47 1n3t h PRO 63 Ca 0.29 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.51 1n3t h PRO 63 Cb 0.47 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.55 1n3t h PRO 63 CO -0.64 -0.15 0.20 1.25 -0.21 0.00 0.00 178.00 178.45 1n3t h HIS 64 N -0.23 0.35 0.42 0.65 -0.00 -1.71 -1.36 115.15 113.26 1n3t h HIS 64 Ca 0.14 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1n3t h HIS 64 Cb 0.44 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 1n3t h HIS 64 CO -0.38 0.07 -0.20 0.00 -0.00 0.00 0.00 177.93 177.42 1n3t h ARG 65 N 0.37 -0.54 -0.88 5.26 3.08 -1.00 -0.51 114.38 120.17 1n3t h ARG 65 Ca 0.30 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.52 1n3t h ARG 65 Cb 0.39 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 1n3t h ARG 65 CO -0.32 -0.34 0.57 0.82 -1.07 0.00 0.00 179.97 179.63 1n3t h ILE 66 N -0.60 0.87 -0.36 2.04 2.04 -0.91 1.01 117.51 121.60 1n3t h ILE 66 Ca -0.06 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 1n3t h ILE 66 Cb 0.45 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1n3t h ILE 66 CO 0.09 0.13 -0.27 0.00 0.00 0.00 0.00 178.15 178.11 1n3t h ALA 67 N 1.59 0.52 0.38 1.87 0.00 -1.00 -1.48 119.26 121.13 1n3t h ALA 67 Ca 0.43 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1n3t h ALA 67 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n3t h ALA 67 CO -0.19 0.53 -0.18 -0.22 0.00 0.00 0.00 179.25 179.19 1n3t h LYS 68 N 0.61 -0.49 -0.99 0.00 3.11 0.63 -1.14 116.57 118.30 1n3t h LYS 68 Ca 0.07 0.03 0.21 0.00 -2.81 0.00 0.00 60.65 58.15 1n3t h LYS 68 Cb 0.84 0.11 -0.10 0.00 -1.00 0.00 0.00 32.23 32.08 1n3t h LYS 68 CO 0.07 -0.22 0.62 1.98 -2.81 0.00 0.00 179.45 179.09 1n3t h MET 69 N -0.70 0.60 0.31 1.90 4.05 0.99 0.85 114.93 122.93 1n3t h MET 69 Ca -0.05 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1n3t h MET 69 Cb 0.49 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1n3t h MET 69 CO 0.08 0.40 -0.15 1.88 0.23 0.00 0.00 176.91 179.35 1n3t h TYR 70 N 0.62 -0.39 0.22 1.39 0.05 -0.98 -1.58 116.97 116.31 1n3t h TYR 70 Ca 0.57 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.33 1n3t h TYR 70 Cb 1.09 0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.96 1n3t h TYR 70 CO -0.00 -0.12 -0.11 0.28 -1.05 0.00 0.00 178.16 177.16 1n3t h VAL 71 N -1.04 0.85 -0.02 -2.88 2.07 -0.91 -3.29 116.25 111.03 1n3t h VAL 71 Ca -0.04 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1n3t h VAL 71 Cb 0.44 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1n3t h VAL 71 CO 0.07 0.14 -0.06 0.47 0.02 0.00 0.00 177.57 178.22 1n3t n ASP 72 N -5.07 1.95 0.00 0.57 8.00 0.27 -4.32 116.55 117.95 1n3t n ASP 72 Ca -0.09 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1n3t n ASP 72 Cb 0.24 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1n3t n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3t n GLU 73 N 0.44 0.00 0.30 -1.24 1.02 -1.08 -4.72 120.64 115.36 1n3t n GLU 73 Ca 0.16 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1n3t n GLU 73 Cb 0.44 0.00 0.40 0.00 -0.02 0.00 0.00 31.44 32.26 1n3t n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3t h ILE 74 N 0.00 0.00 -0.04 -3.67 3.07 -1.53 0.20 117.51 115.54 1n3t h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n3t h ILE 74 Cb 0.00 0.33 0.00 0.00 -0.27 0.00 0.00 36.82 36.88 1n3t h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1n3t n PHE 75 N -2.57 0.05 0.26 0.16 3.72 -1.24 -3.13 117.46 114.71 1n3t n PHE 75 Ca -0.01 -0.27 0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1n3t n PHE 75 Cb 0.63 -0.02 0.58 0.00 -0.94 0.00 0.00 39.48 39.72 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 0.41 0.00 0.57 4.37 4.64 -0.69 0.16 113.55 123.01 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 -1.36 -1.08 0.00 -0.77 0.00 -0.40 -2.93 105.19 98.64 1n3t n GLY 77 Ca 0.02 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.01 1n3t n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3t n LEU 78 N -1.46 0.00 -3.64 0.99 4.77 0.57 -4.47 117.00 113.76 1n3t n LEU 78 Ca 0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 1n3t n LEU 78 Cb 0.20 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.13 1n3t n LEU 78 CO 0.16 0.00 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.27 1n3t s ASP 79 N -1.34 3.29 0.00 -1.43 2.15 -1.15 -4.99 116.67 113.20 1n3t s ASP 79 Ca 0.13 -1.14 0.00 0.00 0.43 0.00 0.00 52.55 51.96 1n3t s ASP 79 Cb 0.06 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 1n3t s ASP 79 CO 0.10 -0.39 0.38 -1.22 -0.17 0.00 0.00 175.17 173.87 1n3t n TYR 80 N 5.13 0.00 0.57 -5.34 4.02 -1.26 -0.51 117.16 119.76 1n3t n TYR 80 Ca -0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.94 1n3t n TYR 80 Cb 0.44 -0.04 0.43 0.00 -0.02 0.00 0.00 39.34 40.15 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 -0.88 1.85 0.93 -0.72 0.00 -1.26 -2.36 120.51 118.08 1n3t n ALA 81 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1n3t n ALA 81 Cb 0.03 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.83 1.66 -4.60 0.00 3.02 0.33 -4.99 115.26 108.84 1n3t n ASN 82 Ca 0.04 -1.33 -0.50 0.00 -0.03 0.00 0.00 54.58 52.76 1n3t n ASN 82 Cb 0.25 0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 39.99 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 -0.44 1.57 -1.24 3.10 7.35 -0.99 -4.88 117.46 121.92 1n3t n PHE 83 Ca 0.07 0.60 -0.35 0.00 -0.76 0.00 0.00 57.45 57.01 1n3t n PHE 83 Cb 0.40 -2.35 0.10 0.00 0.35 0.00 0.00 39.48 37.98 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 2.35 0.35 -2.76 -7.13 -0.04 -1.26 -4.91 135.00 121.61 1n3t n PRO 84 Ca 0.17 0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 1n3t n PRO 84 Cb 0.22 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 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 -3.48 3.75 0.55 0.54 1.02 -1.26 -4.96 119.74 115.90 1n3t s LYS 85 Ca 0.71 0.50 -0.10 0.00 0.02 0.00 0.00 55.97 57.10 1n3t s LYS 85 Cb -0.32 -3.85 -0.05 0.00 -0.52 0.00 0.00 37.83 33.09 1n3t s LYS 85 CO 0.52 -1.10 0.94 0.42 -0.92 0.00 0.00 175.35 175.21 1n3t s ILE 86 N 3.75 4.74 -0.28 2.17 1.01 -1.26 -5.00 121.20 126.33 1n3t s ILE 86 Ca 0.40 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 1n3t s ILE 86 Cb -0.11 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.62 1n3t s ILE 86 CO 0.23 -0.95 0.73 0.42 0.00 0.00 0.00 174.94 175.37 1n3t s THR 87 N -2.91 -0.01 0.50 2.92 -4.23 -1.26 -5.12 115.64 105.52 1n3t s THR 87 Ca 0.53 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1n3t s THR 87 Cb -0.11 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 1n3t s THR 87 CO 0.46 0.00 0.01 -0.76 -0.54 0.00 0.00 174.62 173.79 1n3t s LEU 88 N 1.61 2.32 -0.13 4.79 1.43 -1.26 -2.80 118.68 124.64 1n3t s LEU 88 Ca -0.10 -1.64 -0.06 0.00 -1.03 0.00 0.00 54.13 51.31 1n3t s LEU 88 Cb -0.05 -0.71 0.06 0.00 0.03 0.00 0.00 46.19 45.52 1n3t s LEU 88 CO -0.19 -0.83 0.28 -0.63 0.23 0.00 0.00 176.35 175.21 1n3t s ILE 89 N -2.88 -0.20 0.19 -0.59 1.01 -0.94 -4.95 121.20 112.84 1n3t s ILE 89 Ca 0.08 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 1n3t s ILE 89 Cb 0.02 -0.45 -0.17 0.00 0.01 0.00 0.00 42.46 41.88 1n3t s ILE 89 CO 0.04 0.08 0.53 1.21 0.00 0.00 0.00 174.94 176.80 1n3t n GLU 90 N 4.68 0.00 -1.88 2.79 2.13 -1.26 -0.74 120.64 126.36 1n3t n GLU 90 Ca -0.18 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.24 1n3t n GLU 90 Cb 0.52 -1.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.22 1n3t n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3t n ASN 91 N 1.95 6.90 0.14 4.31 5.15 -0.67 -4.66 115.26 128.38 1n3t n ASN 91 Ca 0.18 -2.96 -0.01 0.00 -0.60 0.00 0.00 54.58 51.19 1n3t n ASN 91 Cb 0.24 -1.48 0.16 0.00 -0.53 0.00 0.00 39.78 38.17 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 5.17 0.00 0.00 1.20 1.57 -1.88 -2.50 116.57 120.13 1n3t h LYS 92 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1n3t h LYS 92 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1n3t h LYS 92 CO 1.65 0.62 0.00 -1.33 -0.57 0.00 0.00 179.45 179.82 1n3t n MET 93 N -3.73 0.08 -3.29 3.15 2.81 -1.26 -4.91 117.12 109.97 1n3t n MET 93 Ca -0.01 0.28 -0.10 0.00 -1.81 0.00 0.00 57.70 56.06 1n3t n MET 93 Cb 0.63 -1.64 0.01 0.00 -0.71 0.00 0.00 33.22 31.52 1n3t n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3t n LYS 94 N -1.79 -1.46 -2.80 0.03 4.01 -0.94 -4.92 118.16 110.30 1n3t n LYS 94 Ca 0.04 1.18 -0.43 0.00 -0.51 0.00 0.00 58.31 58.59 1n3t n LYS 94 Cb 0.22 -4.93 -0.04 0.00 -0.51 0.00 0.00 35.03 29.77 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 -3.09 4.53 -1.13 -0.18 1.01 -1.26 -4.86 120.40 115.42 1n3t s VAL 95 Ca 0.10 1.09 0.14 0.00 0.00 0.00 0.00 61.98 63.31 1n3t s VAL 95 Cb -0.02 -4.38 0.42 0.00 0.00 0.00 0.00 36.38 32.40 1n3t s VAL 95 CO 0.79 -0.64 1.35 -0.90 0.00 0.00 0.00 175.10 175.70 1n3t n ASP 96 N 6.94 3.33 -4.59 3.32 5.75 -1.26 -4.21 116.55 125.83 1n3t n ASP 96 Ca 0.07 -2.09 -0.29 0.00 -0.01 0.00 0.00 54.79 52.47 1n3t n ASP 96 Cb 0.48 -0.33 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 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 -1.16 2.15 0.53 0.11 0.41 -1.26 -4.98 118.70 114.50 1n3t s GLU 97 Ca 0.32 -1.03 -0.21 0.00 -0.41 0.00 0.00 54.97 53.63 1n3t s GLU 97 Cb 0.18 -2.31 -0.05 0.00 -1.78 0.00 0.00 34.13 30.16 1n3t s GLU 97 CO 0.20 0.50 1.29 0.00 -0.49 0.00 0.00 175.26 176.76 1n3t s MET 98 N -2.28 3.25 -0.13 1.61 0.23 -1.26 -4.45 119.30 116.27 1n3t s MET 98 Ca 0.22 2.06 -0.02 0.00 -1.03 0.00 0.00 55.69 56.92 1n3t s MET 98 Cb -0.11 -2.24 -0.03 0.00 -1.53 0.00 0.00 34.83 30.93 1n3t s MET 98 CO 0.14 -1.05 -0.06 0.08 -2.03 0.00 0.00 175.02 172.11 1n3t s VAL 99 N -1.40 3.75 0.02 5.16 1.01 0.29 -4.93 120.40 124.29 1n3t s VAL 99 Ca 0.71 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1n3t s VAL 99 Cb -0.36 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1n3t s VAL 99 CO 0.42 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.93 1n3t s THR 100 N 0.01 1.85 -0.20 3.92 2.01 -1.26 -1.37 115.64 120.61 1n3t s THR 100 Ca -0.00 -1.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.83 1n3t s THR 100 Cb -0.13 -1.57 0.05 0.00 0.01 0.00 0.00 72.50 70.85 1n3t s THR 100 CO 0.03 0.37 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.60 1n3t s VAL 101 N -0.69 1.21 0.21 3.82 1.01 0.21 -4.99 120.40 121.17 1n3t s VAL 101 Ca 0.09 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1n3t s VAL 101 Cb -0.09 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1n3t s VAL 101 CO 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.06 1n3t s ARG 102 N 1.56 2.22 -1.10 2.72 1.70 -1.26 0.54 118.95 125.34 1n3t s ARG 102 Ca -0.02 -1.28 -0.04 0.00 -0.47 0.00 0.00 55.73 53.91 1n3t s ARG 102 Cb -0.17 -2.21 0.00 0.00 -0.57 0.00 0.00 34.95 32.01 1n3t s ARG 102 CO -0.07 0.42 0.94 -0.25 -1.08 0.00 0.00 175.30 175.26 1n3t n ASP 103 N -0.32 -4.18 -4.70 -2.89 8.00 -1.09 -4.96 116.55 106.42 1n3t n ASP 103 Ca -0.09 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.50 1n3t n ASP 103 Cb 0.57 -4.39 -0.03 0.00 -0.02 0.00 0.00 41.12 37.25 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 -3.29 4.46 -0.04 0.53 1.01 0.60 -4.78 121.20 119.70 1n3t s ILE 104 Ca 0.29 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 1n3t s ILE 104 Cb -0.13 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1n3t s ILE 104 CO 0.62 0.07 1.50 -0.89 0.00 0.00 0.00 174.94 176.24 1n3t s THR 105 N 1.56 3.68 -0.23 2.92 2.01 -1.26 -1.24 115.64 123.07 1n3t s THR 105 Ca 0.54 0.96 0.01 0.00 0.31 0.00 0.00 61.69 63.51 1n3t s THR 105 Cb -0.24 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1n3t s THR 105 CO 0.25 -0.05 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.85 1n3t s LEU 106 N 3.19 2.64 -0.13 4.42 0.20 -0.74 -4.72 118.68 123.54 1n3t s LEU 106 Ca 0.67 -1.18 -0.02 0.00 0.69 0.00 0.00 54.13 54.29 1n3t s LEU 106 Cb -0.31 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 1n3t s LEU 106 CO 0.26 -0.23 -0.06 0.42 -0.29 0.00 0.00 176.35 176.46 1n3t s THR 107 N 1.37 3.72 0.37 3.68 -4.23 -1.26 -2.52 115.64 116.77 1n3t s THR 107 Ca -0.06 -0.43 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 1n3t s THR 107 Cb -0.19 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1n3t s THR 107 CO -0.06 0.53 0.66 -0.55 -0.54 0.00 0.00 174.62 174.65 1n3t s SER 108 N 0.05 0.41 -0.01 3.99 0.15 -1.01 -4.05 113.70 113.22 1n3t s SER 108 Ca -0.01 -1.29 0.03 0.00 0.70 0.00 0.00 55.95 55.37 1n3t s SER 108 Cb -0.14 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1n3t s SER 108 CO 0.03 -1.53 -0.09 -0.89 1.20 0.00 0.00 173.24 171.96 1n3t s THR 109 N -2.61 0.75 -0.09 6.45 2.01 -1.25 -1.13 115.64 119.78 1n3t s THR 109 Ca 0.22 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1n3t s THR 109 Cb -0.03 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1n3t s THR 109 CO 0.15 0.22 1.01 0.00 -0.69 0.00 0.00 174.62 175.31 1n3t n GLU 111 N 4.84 0.12 0.06 0.00 0.28 -0.59 0.45 120.64 125.80 1n3t n GLU 111 Ca 0.08 0.20 0.03 0.00 -0.16 0.00 0.00 57.16 57.32 1n3t n GLU 111 Cb 0.49 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.81 1n3t n GLU 111 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1n3t h HIS 112 N 0.00 0.00 0.00 -1.84 3.86 -1.91 -3.41 115.15 111.85 1n3t h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n3t h HIS 112 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1n3t h HIS 112 CO 0.00 0.44 -0.03 0.72 0.86 0.00 0.00 177.93 179.92 1n3t n HIS 113 N -2.87 0.00 -3.38 2.45 8.25 -1.09 -5.03 115.22 113.56 1n3t n HIS 113 Ca -0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 1n3t n HIS 113 Cb 0.77 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.23 -2.27 -4.42 4.41 3.01 0.17 -5.01 117.46 113.12 1n3t n PHE 114 Ca 0.00 0.87 -0.25 0.00 1.01 0.00 0.00 57.45 59.08 1n3t n PHE 114 Cb 0.00 -4.66 -0.09 0.00 -0.01 0.00 0.00 39.48 34.72 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 -3.30 2.57 0.39 -4.37 1.01 -1.24 -4.87 120.40 110.59 1n3t s VAL 115 Ca 0.28 -2.13 -0.27 0.00 0.00 0.00 0.00 61.98 59.85 1n3t s VAL 115 Cb -0.12 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1n3t s VAL 115 CO 0.65 -0.26 1.42 0.41 0.00 0.00 0.00 175.10 177.31 1n3t n THR 116 N -0.82 2.25 -3.92 3.92 -1.04 -1.26 -1.33 114.28 112.08 1n3t n THR 116 Ca -0.05 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.17 1n3t n THR 116 Cb 0.62 -1.84 -0.16 0.00 -1.82 0.00 0.00 70.33 67.12 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 -1.14 1.27 -0.27 12.58 1.01 -0.28 -2.55 121.20 131.82 1n3t s ILE 117 Ca 0.56 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 1n3t s ILE 117 Cb -0.49 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1n3t s ILE 117 CO 0.62 0.10 0.03 -0.62 0.00 0.00 0.00 174.94 175.06 1n3t s ASP 118 N 1.55 4.81 0.26 3.58 2.15 -0.73 -2.41 116.67 125.88 1n3t s ASP 118 Ca -0.01 -0.69 -0.19 0.00 0.43 0.00 0.00 52.55 52.09 1n3t s ASP 118 Cb -0.16 -1.81 0.02 0.00 -0.30 0.00 0.00 42.92 40.67 1n3t s ASP 118 CO -0.08 -0.15 0.64 -0.83 -0.17 0.00 0.00 175.17 174.59 1n3t s GLY 119 N 1.45 0.05 0.08 2.66 0.00 -1.05 0.24 107.32 110.76 1n3t s GLY 119 Ca 0.02 -0.42 0.09 0.00 0.00 0.00 0.00 44.72 44.42 1n3t s GLY 119 CO -0.00 -0.23 -0.24 0.54 0.00 0.00 0.00 173.10 173.17 1n3t s LYS 120 N -3.94 1.73 0.05 2.90 3.01 0.10 -1.79 119.74 121.80 1n3t s LYS 120 Ca 0.13 -1.17 0.07 0.00 -1.01 0.00 0.00 55.97 53.99 1n3t s LYS 120 Cb -0.04 -2.01 -0.03 0.00 -1.01 0.00 0.00 37.83 34.74 1n3t s LYS 120 CO 0.06 0.49 -0.19 0.00 0.51 0.00 0.00 175.35 176.22 1n3t s ALA 121 N -0.95 1.64 -0.16 5.17 0.00 -0.37 -0.62 121.76 126.46 1n3t s ALA 121 Ca 0.14 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1n3t s ALA 121 Cb -0.10 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1n3t s ALA 121 CO 0.05 0.36 -0.19 0.99 0.00 0.00 0.00 175.76 176.96 1n3t s THR 122 N -0.84 1.93 -0.04 0.00 2.01 0.36 -0.29 115.64 118.77 1n3t s THR 122 Ca 0.06 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1n3t s THR 122 Cb -0.09 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1n3t s THR 122 CO 0.02 0.52 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.54 1n3t s VAL 123 N 1.20 1.96 0.04 3.82 1.01 0.19 -1.65 120.40 126.96 1n3t s VAL 123 Ca 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1n3t s VAL 123 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1n3t s VAL 123 CO -0.09 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 1n3t s ALA 124 N -0.28 0.37 0.18 5.51 0.00 -0.69 0.65 121.76 127.51 1n3t s ALA 124 Ca 0.01 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.74 1n3t s ALA 124 Cb -0.12 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.28 1n3t s ALA 124 CO 0.02 -0.29 0.89 1.52 0.00 0.00 0.00 175.76 177.90 1n3t s TYR 125 N -3.00 -0.17 -0.24 0.00 1.13 -0.47 -0.69 117.35 113.91 1n3t s TYR 125 Ca -0.01 -0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 1n3t s TYR 125 Cb 0.01 0.65 0.05 0.00 -1.10 0.00 0.00 41.96 41.57 1n3t s TYR 125 CO -0.07 -0.91 -0.12 0.42 -2.51 0.00 0.00 175.55 172.36 1n3t s ILE 126 N -3.44 2.18 0.24 -3.49 1.01 -0.78 0.10 121.20 117.02 1n3t s ILE 126 Ca 0.11 -1.48 -0.31 0.00 0.00 0.00 0.00 60.65 58.97 1n3t s ILE 126 Cb -0.02 -2.21 -0.13 0.00 0.01 0.00 0.00 42.46 40.10 1n3t s ILE 126 CO 0.02 0.09 1.42 -2.65 0.00 0.00 0.00 174.94 173.82 1n3t n PRO 127 N 4.48 2.06 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.18 1n3t n PRO 127 Ca -0.15 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1n3t n PRO 127 Cb 0.44 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.09 0.00 0.00 -0.52 4.81 -1.26 -4.68 118.16 118.60 1n3t n LYS 128 Ca 0.12 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.61 1n3t n LYS 128 Cb 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.35 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 -0.65 1.05 -3.81 3.14 8.00 -1.26 -4.81 116.55 118.20 1n3t n ASP 129 Ca 0.00 -1.02 -0.12 0.00 0.71 0.00 0.00 54.79 54.36 1n3t n ASP 129 Cb 0.00 0.63 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.61 -0.08 -0.20 -2.24 1.04 -1.26 -1.67 113.70 107.69 1n3t s SER 130 Ca 0.08 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1n3t s SER 130 Cb 0.09 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1n3t s SER 130 CO 0.32 -0.46 -0.16 -0.69 0.98 0.00 0.00 173.24 173.24 1n3t s VAL 131 N -1.66 2.33 0.50 5.02 1.01 0.08 -4.77 120.40 122.93 1n3t s VAL 131 Ca -0.12 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 1n3t s VAL 131 Cb -0.05 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 1n3t s VAL 131 CO 0.01 0.46 1.15 -0.63 0.00 0.00 0.00 175.10 176.10 1n3t s ILE 132 N 1.31 3.10 0.03 2.22 1.01 -1.26 -2.21 121.20 125.40 1n3t s ILE 132 Ca 0.04 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 1n3t s ILE 132 Cb -0.14 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1n3t s ILE 132 CO -0.10 -0.08 1.41 -0.83 0.00 0.00 0.00 174.94 175.34 1n3t s GLY 133 N -1.55 1.88 0.27 6.18 0.00 -1.12 -4.91 107.32 108.08 1n3t s GLY 133 Ca 0.68 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 46.30 1n3t s GLY 133 CO 0.31 2.49 1.48 1.04 0.00 0.00 0.00 173.10 178.42 1n3t n LEU 134 N 5.03 -0.29 0.32 0.66 4.77 -1.26 -0.02 117.00 126.21 1n3t n LEU 134 Ca 0.13 1.63 0.21 0.00 -0.03 0.00 0.00 56.01 57.94 1n3t n LEU 134 Cb 0.43 -0.51 1.06 0.00 -2.33 0.00 0.00 43.42 42.07 1n3t n LEU 134 CO 0.59 -1.58 1.13 0.77 -1.33 0.00 0.00 177.39 176.96 1n3t h SER 135 N 0.00 0.00 -0.32 -1.43 4.64 -2.01 -2.62 113.55 111.81 1n3t h SER 135 Ca 0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.79 1n3t h SER 135 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1n3t h SER 135 CO -0.96 0.01 0.15 0.11 -0.87 0.00 0.00 176.83 175.27 1n3t h LYS 136 N 0.00 0.46 -0.62 4.77 1.79 -0.81 -0.87 116.57 121.28 1n3t h LYS 136 Ca -0.00 -0.07 0.12 0.00 -2.18 0.00 0.00 60.65 58.52 1n3t h LYS 136 Cb 0.13 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.61 1n3t h LYS 136 CO 0.00 0.43 0.13 0.82 -1.08 0.00 0.00 179.45 179.75 1n3t h ILE 137 N 0.38 0.62 0.62 1.86 2.04 -1.56 -1.43 117.51 120.04 1n3t h ILE 137 Ca 0.11 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1n3t h ILE 137 Cb 0.12 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1n3t h ILE 137 CO -0.01 0.05 -0.42 0.78 0.00 0.00 0.00 178.15 178.55 1n3t h ASN 138 N 0.26 -1.08 -0.75 1.72 2.35 -1.48 -2.38 115.58 114.22 1n3t h ASN 138 Ca 0.33 0.07 0.17 0.00 -0.55 0.00 0.00 56.30 56.32 1n3t h ASN 138 Cb 0.50 0.32 -0.13 0.00 0.05 0.00 0.00 38.32 39.07 1n3t h ASN 138 CO -0.42 -0.62 0.02 0.03 -1.65 0.00 0.00 177.43 174.78 1n3t h ARG 139 N -0.98 0.11 -0.52 0.81 3.08 -0.78 -0.29 114.38 115.81 1n3t h ARG 139 Ca -0.08 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1n3t h ARG 139 Cb 0.80 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1n3t h ARG 139 CO 0.06 0.07 0.18 0.82 -1.07 0.00 0.00 179.97 180.03 1n3t h ILE 140 N 0.11 1.20 -0.25 2.04 2.04 -1.20 0.27 117.51 121.72 1n3t h ILE 140 Ca 0.41 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1n3t h ILE 140 Cb 0.72 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1n3t h ILE 140 CO -0.65 0.26 -0.13 0.58 0.00 0.00 0.00 178.15 178.21 1n3t h VAL 141 N 0.74 1.30 0.00 1.67 2.07 -0.55 -2.72 116.25 118.77 1n3t h VAL 141 Ca 0.17 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1n3t h VAL 141 Cb 0.20 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1n3t h VAL 141 CO -0.01 0.38 -0.11 1.56 0.02 0.00 0.00 177.57 179.41 1n3t h GLN 142 N 0.26 0.00 0.26 1.57 1.08 -0.99 -2.09 115.11 115.20 1n3t h GLN 142 Ca 0.06 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1n3t h GLN 142 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1n3t h GLN 142 CO 0.04 0.11 -0.12 0.35 -0.95 0.00 0.00 178.83 178.25 1n3t h PHE 143 N 0.00 -0.32 0.00 2.96 3.57 -0.24 -2.89 116.94 120.02 1n3t h PHE 143 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1n3t h PHE 143 Cb 0.69 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1n3t h PHE 143 CO 0.00 0.02 -0.25 0.74 -2.23 0.00 0.00 178.31 176.60 1n3t h PHE 144 N -0.72 0.00 -0.31 0.41 0.04 -1.48 -2.90 116.94 111.99 1n3t h PHE 144 Ca -0.04 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 1n3t h PHE 144 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1n3t h PHE 144 CO 0.03 0.25 -0.22 0.00 -0.60 0.00 0.00 178.31 177.77 1n3t h ALA 145 N 1.75 1.05 0.00 2.45 0.00 -1.36 -3.34 119.26 119.81 1n3t h ALA 145 Ca -0.00 -0.34 -0.49 0.00 0.00 0.00 0.00 54.91 54.08 1n3t h ALA 145 Cb 0.58 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1n3t h ALA 145 CO 0.03 0.58 2.65 1.04 0.00 0.00 0.00 179.25 183.54 1n3t n GLN 146 N -4.13 2.08 -3.49 0.00 1.13 -1.09 -4.17 117.38 107.71 1n3t n GLN 146 Ca 0.00 -1.67 -0.11 0.00 -1.94 0.00 0.00 57.00 53.29 1n3t n GLN 146 Cb 0.40 -2.64 -0.02 0.00 0.11 0.00 0.00 30.24 28.09 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 3.73 1.30 -0.10 -1.09 0.52 -1.18 -1.27 118.95 120.85 1n3t s ARG 147 Ca 0.47 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.86 1n3t s ARG 147 Cb 0.12 0.57 -0.05 0.00 0.52 0.00 0.00 34.95 36.11 1n3t s ARG 147 CO 0.00 -0.57 1.67 -2.14 0.02 0.00 0.00 175.30 174.28 1n3t s PRO 148 N -3.70 4.04 0.45 3.54 0.02 -1.26 -3.78 135.00 134.31 1n3t s PRO 148 Ca 0.03 2.05 0.05 0.00 0.02 0.00 0.00 61.00 63.15 1n3t s PRO 148 Cb -0.02 -4.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.44 1n3t s PRO 148 CO -0.10 -1.02 0.06 -0.65 -0.33 0.00 0.00 177.00 174.97 1n3t s GLN 149 N 4.30 2.10 -0.10 5.54 -1.52 0.32 -4.61 119.66 125.69 1n3t s GLN 149 Ca 0.74 -2.15 -0.02 0.00 -1.95 0.00 0.00 55.36 51.98 1n3t s GLN 149 Cb -0.31 -1.70 0.04 0.00 -0.22 0.00 0.00 33.01 30.82 1n3t s GLN 149 CO 0.30 -0.20 0.02 0.08 -0.25 0.00 0.00 175.29 175.24 1n3t s VAL 150 N -2.75 0.35 0.22 1.09 1.01 -1.26 -1.54 120.40 117.52 1n3t s VAL 150 Ca 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1n3t s VAL 150 Cb 0.05 -0.62 0.24 0.00 0.00 0.00 0.00 36.38 36.06 1n3t s VAL 150 CO 0.14 0.12 1.64 -0.61 0.00 0.00 0.00 175.10 176.39 1n3t h GLN 151 N 8.32 0.05 -0.94 2.72 4.15 -1.99 0.13 115.11 127.56 1n3t h GLN 151 Ca -0.18 -0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.42 1n3t h GLN 151 Cb 1.12 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.72 1n3t h GLN 151 CO 0.27 0.03 0.60 0.93 -1.93 0.00 0.00 178.83 178.74 1n3t h GLU 152 N 0.05 0.61 0.21 1.69 3.07 -1.98 -2.25 114.58 115.98 1n3t h GLU 152 Ca 0.34 -0.04 -0.32 0.00 -0.50 0.00 0.00 59.36 58.84 1n3t h GLU 152 Cb 0.55 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1n3t h GLU 152 CO -0.63 0.40 -1.51 -0.09 -1.40 0.00 0.00 179.01 175.78 1n3t h ARG 153 N 0.63 0.44 -0.99 2.33 2.43 -1.28 -3.16 114.38 114.78 1n3t h ARG 153 Ca 0.50 -0.76 0.21 0.00 -0.81 0.00 0.00 59.98 59.12 1n3t h ARG 153 Cb 0.94 0.28 -0.10 0.00 -0.42 0.00 0.00 29.97 30.68 1n3t h ARG 153 CO -0.25 1.36 0.62 1.25 -1.51 0.00 0.00 179.97 181.44 1n3t h LEU 154 N 0.04 0.64 -0.35 3.80 5.85 -0.42 -0.18 115.31 124.69 1n3t h LEU 154 Ca -0.28 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 1n3t h LEU 154 Cb 2.06 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 1n3t h LEU 154 CO 0.21 0.21 -0.49 0.74 -0.34 0.00 0.00 178.44 178.77 1n3t h THR 155 N 0.61 1.27 -0.56 1.05 2.02 -1.50 -2.95 112.91 112.86 1n3t h THR 155 Ca 0.56 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 1n3t h THR 155 Cb 1.09 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1n3t h THR 155 CO -0.33 0.55 0.09 1.56 0.37 0.00 0.00 175.52 177.76 1n3t h GLN 156 N 0.70 0.93 0.23 6.66 1.08 -1.05 -2.66 115.11 121.00 1n3t h GLN 156 Ca 0.03 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1n3t h GLN 156 Cb 1.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1n3t h GLN 156 CO 0.11 0.89 -0.11 1.96 -0.95 0.00 0.00 178.83 180.73 1n3t h GLN 157 N 0.82 -0.30 -0.54 1.46 4.20 -1.24 -2.25 115.11 117.26 1n3t h GLN 157 Ca 0.17 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.00 1n3t h GLN 157 Cb 0.42 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.19 1n3t h GLN 157 CO 0.01 -0.10 0.06 0.82 -0.67 0.00 0.00 178.83 178.94 1n3t h ILE 158 N -0.45 0.63 0.07 2.54 2.04 -1.51 0.45 117.51 121.27 1n3t h ILE 158 Ca -0.03 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1n3t h ILE 158 Cb 0.34 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1n3t h ILE 158 CO 0.05 0.03 -0.19 0.25 0.00 0.00 0.00 178.15 178.30 1n3t h LEU 159 N 0.18 -0.55 -0.33 1.44 5.85 -1.34 -1.03 115.31 119.53 1n3t h LEU 159 Ca 0.28 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.12 1n3t h LEU 159 Cb 0.41 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1n3t h LEU 159 CO -0.41 -0.20 -0.15 0.40 -0.34 0.00 0.00 178.44 177.74 1n3t h ILE 160 N -0.28 0.54 -0.55 4.05 2.04 -1.04 0.11 117.51 122.37 1n3t h ILE 160 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1n3t h ILE 160 Cb 0.28 0.54 -0.11 0.00 -0.74 0.00 0.00 36.82 36.79 1n3t h ILE 160 CO -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.69 1n3t h ALA 161 N 1.17 -0.19 -0.37 1.87 0.00 0.10 0.35 119.26 122.20 1n3t h ALA 161 Ca 0.17 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1n3t h ALA 161 Cb 0.35 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1n3t h ALA 161 CO -0.39 -0.75 -0.08 -0.07 0.00 0.00 0.00 179.25 177.96 1n3t h LEU 162 N -0.21 0.60 0.17 0.00 3.38 -0.60 -2.35 115.31 116.30 1n3t h LEU 162 Ca 0.20 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n3t h LEU 162 Cb 0.56 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1n3t h LEU 162 CO -0.66 0.73 -0.19 1.56 0.09 0.00 0.00 178.44 179.97 1n3t h GLN 163 N 0.57 -0.39 0.00 1.13 4.20 0.19 0.45 115.11 121.26 1n3t h GLN 163 Ca 0.11 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1n3t h GLN 163 Cb 0.49 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1n3t h GLN 163 CO 0.03 -0.26 0.00 2.41 -0.67 0.00 0.00 178.83 180.34 1n3t n THR 164 N -5.32 0.00 -0.27 -0.54 -1.04 0.91 0.07 114.28 108.10 1n3t n THR 164 Ca -0.08 1.40 -0.03 0.00 -2.04 0.00 0.00 64.05 63.31 1n3t n THR 164 Cb 0.23 -2.14 0.03 0.00 -1.82 0.00 0.00 70.33 66.63 1n3t n THR 164 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1n3t h LEU 165 N 0.00 -1.21 -1.37 -4.42 3.38 -1.36 0.18 115.31 110.51 1n3t h LEU 165 Ca 0.00 0.26 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1n3t h LEU 165 Cb 0.00 0.63 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1n3t h LEU 165 CO 0.00 -0.30 -0.31 -0.07 0.09 0.00 0.00 178.44 177.85 1n3t h LEU 166 N -0.10 0.00 0.04 1.67 3.38 -0.84 -3.47 115.31 116.00 1n3t h LEU 166 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1n3t h LEU 166 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1n3t h LEU 166 CO -0.79 0.31 -0.02 0.61 0.09 0.00 0.00 178.44 178.65 1n3t n GLY 167 N -0.61 0.47 3.40 0.83 0.00 0.11 -4.80 105.19 104.60 1n3t n GLY 167 Ca -0.02 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.02 1.52 -2.04 2.61 2.01 -1.18 -5.03 115.64 111.51 1n3t s THR 168 Ca 0.00 -2.11 0.17 0.00 0.31 0.00 0.00 61.69 60.06 1n3t s THR 168 Cb 0.00 -2.39 0.11 0.00 0.01 0.00 0.00 72.50 70.23 1n3t s THR 168 CO 0.00 -0.33 1.01 0.59 -0.69 0.00 0.00 174.62 175.20 1n3t n ASN 169 N -0.53 2.30 -3.67 3.53 3.02 -1.26 -4.51 115.26 114.13 1n3t n ASN 169 Ca -0.06 -1.65 -0.41 0.00 -0.03 0.00 0.00 54.58 52.43 1n3t n ASN 169 Cb 0.63 0.08 -0.00 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.79 5.65 -3.95 6.41 3.02 -1.26 0.74 115.26 126.66 1n3t n ASN 170 Ca 0.09 -2.93 -0.15 0.00 -0.03 0.00 0.00 54.58 51.56 1n3t n ASN 170 Cb 0.42 -1.54 -0.14 0.00 -0.61 0.00 0.00 39.78 37.90 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 1.45 0.34 0.01 2.41 1.01 -1.26 -1.87 120.40 122.49 1n3t s VAL 171 Ca 0.49 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1n3t s VAL 171 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1n3t s VAL 171 CO -0.05 0.08 -0.13 0.00 0.00 0.00 0.00 175.10 175.00 1n3t s ALA 172 N -0.14 1.09 -0.02 5.51 0.00 0.14 -1.67 121.76 126.66 1n3t s ALA 172 Ca 0.01 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1n3t s ALA 172 Cb -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1n3t s ALA 172 CO -0.00 0.24 -0.07 0.08 0.00 0.00 0.00 175.76 176.01 1n3t s VAL 173 N -0.49 0.66 -0.03 0.00 1.01 -0.33 -1.70 120.40 119.53 1n3t s VAL 173 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1n3t s VAL 173 Cb -0.06 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1n3t s VAL 173 CO 0.00 0.22 -0.01 -0.55 0.00 0.00 0.00 175.10 174.75 1n3t s SER 174 N 0.26 0.51 -0.15 3.32 0.15 -0.66 0.38 113.70 117.52 1n3t s SER 174 Ca -0.04 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1n3t s SER 174 Cb -0.08 -0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1n3t s SER 174 CO 0.00 -0.07 -0.15 -0.63 1.20 0.00 0.00 173.24 173.59 1n3t s ILE 175 N 0.87 1.64 -0.09 6.45 1.01 0.11 -0.49 121.20 130.69 1n3t s ILE 175 Ca -0.09 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1n3t s ILE 175 Cb -0.13 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1n3t s ILE 175 CO -0.01 0.47 0.13 -0.62 0.00 0.00 0.00 174.94 174.91 1n3t s ASP 176 N 1.37 6.23 0.02 3.58 2.15 0.21 -1.66 116.67 128.57 1n3t s ASP 176 Ca 0.03 0.40 -0.27 0.00 0.43 0.00 0.00 52.55 53.13 1n3t s ASP 176 Cb -0.13 -1.97 0.09 0.00 -0.30 0.00 0.00 42.92 40.60 1n3t s ASP 176 CO -0.09 0.38 0.77 0.00 -0.17 0.00 0.00 175.17 176.05 1n3t s ALA 177 N -1.07 -1.75 -0.14 3.66 0.00 -0.36 -0.72 121.76 121.38 1n3t s ALA 177 Ca 0.17 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1n3t s ALA 177 Cb -0.12 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1n3t s ALA 177 CO 0.07 -0.61 -0.17 0.08 0.00 0.00 0.00 175.76 175.13 1n3t s VAL 178 N -2.73 2.59 -0.38 0.00 1.01 0.14 -0.82 120.40 120.20 1n3t s VAL 178 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1n3t s VAL 178 Cb -0.01 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1n3t s VAL 178 CO -0.06 0.53 0.24 -1.00 0.00 0.00 0.00 175.10 174.81 1n3t s HIS 179 N 0.60 3.24 0.01 5.22 3.76 -1.26 -1.78 115.29 125.07 1n3t s HIS 179 Ca -0.10 -0.74 0.30 0.00 -0.15 0.00 0.00 55.06 54.38 1n3t s HIS 179 Cb -0.16 -2.49 1.49 0.00 1.11 0.00 0.00 32.58 32.53 1n3t s HIS 179 CO 0.03 -0.59 1.91 1.88 -0.85 0.00 0.00 174.74 177.12 1n3t h TYR 180 N 8.50 0.00 -0.07 1.40 -1.99 -1.85 0.19 116.97 123.15 1n3t h TYR 180 Ca -0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1n3t h TYR 180 Cb 1.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.85 1n3t h TYR 180 CO 0.58 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.61 1n3t n SER 181 N -2.59 0.66 0.00 3.88 3.41 -1.26 -0.93 113.62 116.78 1n3t n SER 181 Ca -0.01 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1n3t n SER 181 Cb 0.13 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.20 0.00 0.17 -3.33 0.31 0.53 -4.60 118.33 111.21 1n3t n VAL 182 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1n3t n VAL 182 Cb 0.13 -1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.93 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 -0.48 -0.63 5.55 3.64 -1.08 0.98 116.57 124.56 1n3t h LYS 183 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1n3t h LYS 183 Cb 0.73 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1n3t h LYS 183 CO 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 179.45 177.00 1n3t n ALA 184 N -2.62 3.65 -3.62 5.00 0.00 -0.10 -2.88 120.51 119.93 1n3t n ALA 184 Ca -0.09 -1.69 -0.11 0.00 0.00 0.00 0.00 53.44 51.55 1n3t n ALA 184 Cb 0.27 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.47 0.64 6.12 0.00 3.52 -1.22 -4.93 118.95 120.61 1n3t s ARG 185 Ca 0.49 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 1n3t s ARG 185 Cb 0.37 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 34.06 1n3t s ARG 185 CO 0.16 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.95 1n3t n GLY 186 N 2.00 1.70 0.20 8.12 0.00 -1.26 -2.99 105.19 112.96 1n3t n GLY 186 Ca -0.13 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 1.04 -5.94 -0.61 2.04 -1.88 -3.48 117.51 108.68 1n3t h ILE 187 Ca 0.00 -1.23 -0.19 0.00 1.00 0.00 0.00 64.86 64.44 1n3t h ILE 187 Cb 0.00 1.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1n3t h ILE 187 CO 0.00 0.33 -0.89 0.54 0.00 0.00 0.00 178.15 178.13 1n3t n ARG 188 N -3.85 -2.13 -3.64 2.37 1.74 -0.43 -4.91 116.66 105.81 1n3t n ARG 188 Ca -0.01 1.76 -0.39 0.00 -0.77 0.00 0.00 57.85 58.44 1n3t n ARG 188 Cb 0.41 -3.72 -0.10 0.00 -1.02 0.00 0.00 32.46 28.03 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 -1.96 5.52 0.57 0.55 -1.08 0.21 -4.92 116.67 115.56 1n3t s ASP 189 Ca 0.30 -2.04 0.26 0.00 -0.52 0.00 0.00 52.55 50.55 1n3t s ASP 189 Cb -0.05 -1.94 1.66 0.00 -1.46 0.00 0.00 42.92 41.13 1n3t s ASP 189 CO 0.80 -0.61 2.21 0.00 0.52 0.00 0.00 175.17 178.08 1n3t h ALA 190 N 8.19 1.61 0.00 3.66 0.00 -1.87 -3.32 119.26 127.54 1n3t h ALA 190 Ca -0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1n3t h ALA 190 Cb 1.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1n3t h ALA 190 CO 0.79 0.02 -1.82 0.25 0.00 0.00 0.00 179.25 178.49 1n3t n THR 191 N -3.99 0.41 -0.67 0.00 -2.24 -1.26 -5.05 114.28 101.48 1n3t n THR 191 Ca -0.03 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1n3t n THR 191 Cb 0.10 -0.17 0.19 0.00 -2.10 0.00 0.00 70.33 68.35 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 -4.18 2.44 -0.00 3.42 1.04 -1.25 -5.08 113.70 110.09 1n3t s SER 192 Ca -0.06 2.02 -0.29 0.00 0.48 0.00 0.00 55.95 58.09 1n3t s SER 192 Cb 0.08 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.76 1n3t s SER 192 CO 0.62 -3.38 0.67 0.00 0.98 0.00 0.00 173.24 172.13 1n3t s ALA 193 N -2.61 -1.73 -0.10 5.32 0.00 -1.26 -4.85 121.76 116.53 1n3t s ALA 193 Ca 0.67 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.78 1n3t s ALA 193 Cb -0.23 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1n3t s ALA 193 CO 0.60 -0.47 -0.20 0.99 0.00 0.00 0.00 175.76 176.68 1n3t s THR 194 N -1.82 2.46 -0.16 0.00 2.01 -0.00 -4.96 115.64 113.17 1n3t s THR 194 Ca -0.08 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1n3t s THR 194 Cb -0.00 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.55 1n3t s THR 194 CO 0.04 0.55 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.46 1n3t s THR 195 N 0.17 2.38 -0.01 -0.82 2.01 -1.26 -1.23 115.64 116.88 1n3t s THR 195 Ca -0.11 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.07 1n3t s THR 195 Cb -0.16 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1n3t s THR 195 CO 0.06 0.53 -0.15 0.42 -0.69 0.00 0.00 174.62 174.79 1n3t s THR 196 N 0.92 1.22 0.25 -0.82 -4.23 -0.66 -4.99 115.64 107.33 1n3t s THR 196 Ca -0.04 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1n3t s THR 196 Cb -0.15 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.61 1n3t s THR 196 CO -0.03 0.31 -0.01 0.42 -0.54 0.00 0.00 174.62 174.77 1n3t s THR 197 N -0.41 1.21 -0.24 3.99 -4.23 -1.26 -0.71 115.64 113.98 1n3t s THR 197 Ca 0.06 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1n3t s THR 197 Cb -0.06 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.49 1n3t s THR 197 CO -0.00 -0.30 0.24 -0.44 -0.54 0.00 0.00 174.62 173.58 1n3t s SER 198 N -3.35 1.68 -0.18 3.99 0.01 0.16 -4.97 113.70 111.04 1n3t s SER 198 Ca 0.29 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 1n3t s SER 198 Cb 0.05 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 1n3t s SER 198 CO 0.10 -0.36 0.10 -0.76 0.41 0.00 0.00 173.24 172.73 1n3t s LEU 199 N 2.32 4.06 0.31 2.44 1.43 -1.26 -1.18 118.68 126.80 1n3t s LEU 199 Ca 0.08 0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1n3t s LEU 199 Cb -0.15 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 1n3t s LEU 199 CO -0.22 0.21 0.01 -0.83 0.23 0.00 0.00 176.35 175.75 1n3t s GLY 200 N 0.20 2.00 0.00 -3.19 0.00 -0.67 -4.52 107.32 101.14 1n3t s GLY 200 Ca 0.07 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1n3t s GLY 200 CO -0.01 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.87 1n3t n GLY 201 N -0.66 1.33 0.48 0.20 0.00 0.23 -1.07 105.19 105.69 1n3t n GLY 201 Ca -0.04 -0.49 0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 0.14 -2.11 0.99 3.38 -1.94 0.44 115.31 116.21 1n3t h LEU 202 Ca 0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1n3t h LEU 202 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1n3t h LEU 202 CO 0.00 0.03 0.19 -0.26 0.09 0.00 0.00 178.44 178.49 1n3t h PHE 203 N 0.12 0.00 0.02 1.13 0.04 -1.39 0.52 116.94 117.39 1n3t h PHE 203 Ca 0.54 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.93 1n3t h PHE 203 Cb 1.90 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.99 1n3t h PHE 203 CO -0.00 0.00 -2.35 1.17 -0.60 0.00 0.00 178.31 176.53 1n3t n LYS 204 N -4.17 0.68 -0.01 1.51 4.81 0.15 -3.62 118.16 117.51 1n3t n LYS 204 Ca 0.02 0.15 -0.11 0.00 -0.87 0.00 0.00 58.31 57.51 1n3t n LYS 204 Cb 0.33 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.68 1n3t n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3t h SER 205 N 0.01 0.08 -2.94 3.14 4.64 -1.23 -3.45 113.55 113.80 1n3t h SER 205 Ca -0.54 -0.16 -0.69 0.00 -0.47 0.00 0.00 61.79 59.94 1n3t h SER 205 Cb 1.98 -0.02 -0.19 0.00 -0.31 0.00 0.00 62.40 63.86 1n3t h SER 205 CO -0.03 1.14 0.16 -0.55 -0.87 0.00 0.00 176.83 176.68 1n3t s SER 206 N -6.31 6.19 0.30 4.97 0.15 0.18 -4.92 113.70 114.26 1n3t s SER 206 Ca -0.07 -1.26 0.01 0.00 0.70 0.00 0.00 55.95 55.33 1n3t s SER 206 Cb 0.08 -2.32 0.72 0.00 -1.71 0.00 0.00 66.02 62.80 1n3t s SER 206 CO 0.82 -1.12 1.60 -0.61 1.20 0.00 0.00 173.24 175.14 1n3t h GLN 207 N 9.20 0.08 0.53 5.44 5.75 -1.87 0.58 115.11 134.83 1n3t h GLN 207 Ca -0.29 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.19 1n3t h GLN 207 Cb 1.09 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1n3t h GLN 207 CO 1.09 0.05 -0.37 -0.97 -2.65 0.00 0.00 178.83 175.97 1n3t h ASN 208 N 0.08 -0.96 0.50 -0.69 -1.24 -1.92 -2.02 115.58 109.32 1n3t h ASN 208 Ca 0.57 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.62 1n3t h ASN 208 Cb 1.18 0.29 0.00 0.00 0.73 0.00 0.00 38.32 40.52 1n3t h ASN 208 CO -0.80 -0.56 -0.25 0.74 -1.29 0.00 0.00 177.43 175.27 1n3t h THR 209 N -0.87 0.48 -0.90 -3.57 2.02 -1.18 -2.04 112.91 106.85 1n3t h THR 209 Ca -0.06 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.32 1n3t h THR 209 Cb 0.73 0.48 -0.17 0.00 -1.74 0.00 0.00 68.15 67.45 1n3t h THR 209 CO 0.03 0.00 -0.15 -0.09 0.37 0.00 0.00 175.52 175.68 1n3t h ARG 210 N -0.69 0.01 0.02 6.66 2.43 0.09 -0.59 114.38 122.32 1n3t h ARG 210 Ca -0.07 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.89 1n3t h ARG 210 Cb 0.53 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1n3t h ARG 210 CO 0.10 0.01 -0.95 0.45 -1.51 0.00 0.00 179.97 178.07 1n3t h HIS 211 N 0.01 0.34 -0.36 2.20 3.86 -1.29 -2.62 115.15 117.30 1n3t h HIS 211 Ca 0.47 -0.20 0.10 0.00 -1.16 0.00 0.00 60.37 59.57 1n3t h HIS 211 Cb 0.78 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1n3t h HIS 211 CO -0.63 1.05 0.26 0.93 0.86 0.00 0.00 177.93 180.40 1n3t h GLU 212 N 0.11 0.03 0.01 2.45 5.08 -0.37 -1.21 114.58 120.69 1n3t h GLU 212 Ca -0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n3t h GLU 212 Cb 1.61 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1n3t h GLU 212 CO 0.15 0.02 -0.01 0.35 -1.00 0.00 0.00 179.01 178.52 1n3t h PHE 213 N 0.03 -0.02 -1.39 4.33 3.57 -1.34 -3.32 116.94 118.79 1n3t h PHE 213 Ca 0.17 -0.00 0.41 0.00 3.53 0.00 0.00 57.97 62.08 1n3t h PHE 213 Cb 0.65 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1n3t h PHE 213 CO -0.00 -0.01 0.98 -0.07 -2.23 0.00 0.00 178.31 176.98 1n3t h LEU 214 N -0.21 0.09 -0.43 0.59 3.38 -1.33 0.19 115.31 117.59 1n3t h LEU 214 Ca -0.00 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1n3t h LEU 214 Cb 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1n3t h LEU 214 CO 0.00 -0.02 -0.29 -0.09 0.09 0.00 0.00 178.44 178.13 1n3t h ARG 215 N 0.06 0.96 0.00 1.13 2.43 -1.37 -2.78 114.38 114.80 1n3t h ARG 215 Ca 0.70 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1n3t h ARG 215 Cb 2.61 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 32.16 1n3t h ARG 215 CO -0.10 1.12 0.00 0.00 -1.51 0.00 0.00 179.97 179.48 1n3t n ALA 216 N -2.53 2.50 -2.62 2.80 0.00 0.67 -4.81 120.51 116.52 1n3t n ALA 216 Ca -0.01 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 1n3t n ALA 216 Cb 0.50 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.00 5.13 -0.10 0.00 1.01 -1.05 -4.78 120.40 118.61 1n3t s VAL 217 Ca 0.17 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1n3t s VAL 217 Cb 0.08 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1n3t s VAL 217 CO 0.13 0.21 0.05 -1.14 0.00 0.00 0.00 175.10 174.35 1n3t n ARG 218 N 0.64 -0.96 -4.31 2.72 0.00 -1.26 -5.03 116.66 108.46 1n3t n ARG 218 Ca -0.06 1.14 -0.16 0.00 -0.00 0.00 0.00 57.85 58.76 1n3t n ARG 218 Cb 0.52 -2.45 -0.10 0.00 0.00 0.00 0.00 32.46 30.43 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 -0.78 1.48 -0.10 -0.14 3.76 -1.26 -5.16 115.29 113.09 1n3t s HIS 219 Ca 0.02 -0.97 -0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1n3t s HIS 219 Cb -0.01 -0.86 0.02 0.00 1.11 0.00 0.00 32.58 32.85 1n3t s HIS 219 CO 0.24 -0.11 -0.06 -1.58 -0.85 0.00 0.00 174.74 172.38 1n3t s HIS 220 N -3.51 1.22 0.00 1.40 2.46 -1.26 -4.97 115.29 110.63 1n3t s HIS 220 Ca 0.28 -0.54 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1n3t s HIS 220 Cb 0.06 -1.08 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 1n3t s HIS 220 CO 0.08 -0.43 0.00 0.09 -2.47 0.00 0.00 174.74 172.01